data_nef_c34061_5m9z 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 PDB 5M9Z stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 35 CYS SG 2 1 ZN ZN 1 38 CYS SG 2 1 ZN ZN 1 40 GLU OE2 2 1 ZN ZN 1 67 HIS ND1 2 1 ZN ZN 1 70 CYS SG 2 1 ZN ZN stop_ 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 SER middle . . 3 A 532 VAL middle . . 4 A 533 ASP middle . . 5 A 534 ASN middle . . 6 A 535 THR middle . . 7 A 536 LEU middle . . 8 A 537 GLY middle . false 9 A 538 SER middle . . 10 A 539 ASP middle . . 11 A 540 ARG middle . . 12 A 541 SER middle . . 13 A 542 ASN middle . . 14 A 543 GLU middle . . 15 A 544 LEU middle . . 16 A 545 GLU middle . . 17 A 546 ILE middle . . 18 A 547 ARG middle . . 19 A 548 GLY middle . false 20 A 549 LYS middle . . 21 A 550 TYR middle . . 22 A 551 VAL middle . . 23 A 552 VAL middle . . 24 A 553 VAL middle . . 25 A 554 PRO middle . false 26 A 555 GLU middle . . 27 A 556 THR middle . . 28 A 557 SER middle . . 29 A 558 GLN middle . . 30 A 559 ASP middle . . 31 A 560 MET middle . . 32 A 561 ALA middle . . 33 A 562 PHE middle . . 34 A 563 LYS middle . . 35 A 564 CYS middle -HG . 36 A 565 PRO middle . false 37 A 566 ILE middle . . 38 A 567 CYS middle -HG . 39 A 568 LYS middle . . 40 A 569 GLU middle . . 41 A 570 THR middle . . 42 A 571 VAL middle . . 43 A 572 THR middle . . 44 A 573 GLY middle . false 45 A 574 VAL middle . . 46 A 575 TYR middle . . 47 A 576 ASP middle . . 48 A 577 GLU middle . . 49 A 578 GLU middle . . 50 A 579 SER middle . . 51 A 580 GLY middle . false 52 A 581 GLU middle . . 53 A 582 TRP middle . . 54 A 583 VAL middle . . 55 A 584 TRP middle . . 56 A 585 LYS middle . . 57 A 586 ASN middle . . 58 A 587 THR middle . . 59 A 588 ILE middle . . 60 A 589 GLU middle . . 61 A 590 VAL middle . . 62 A 591 ASN middle . . 63 A 592 GLY middle . false 64 A 593 LYS middle . . 65 A 594 TYR middle . . 66 A 595 PHE middle . . 67 A 596 HIS middle -HD1 . 68 A 597 SER middle . . 69 A 598 THR middle . . 70 A 599 CYS middle -HG . 71 A 600 TYR middle . . 72 A 601 HIS middle . . 73 A 602 GLU middle . . 74 A 603 THR middle . . 75 A 604 SER middle . . 76 A 605 GLN middle . . 77 A 606 ASN middle . . 78 A 607 SER middle . . 79 A 608 SER middle . . 80 A 609 LYS middle . . 81 A 610 SER middle . . 82 A 611 ASN middle . . 83 A 612 SER middle . . 84 A 613 GLY middle . false 85 A 614 LYS middle . . 86 A 615 VAL middle . . 87 A 616 GLY middle . false 88 A 617 LEU middle . . 89 A 618 ASP middle . . 90 A 619 ASP middle . . 91 A 620 LEU middle . . 92 A 621 LYS middle . . 93 A 622 LYS middle . . 94 A 623 LEU middle . . 95 A 624 VAL middle . . 96 A 625 THR middle . . 97 A 626 LYS end . . 98 B 1 ZN . . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_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 548 GLY H H 1 7.819 0.02 A 548 GLY HAx H 1 4.138 0.02 A 548 GLY HAy H 1 4.138 0.02 A 548 GLY C C 13 175.068 0.2 A 548 GLY CA C 13 45.34 0.2 A 548 GLY N N 15 104.599 0.2 A 549 LYS H H 1 7.209 0.02 A 549 LYS HA H 1 4.388 0.02 A 549 LYS C C 13 175.08 0.2 A 549 LYS CA C 13 56.607 0.2 A 549 LYS CB C 13 31.978 0.2 A 549 LYS N N 15 121.878 0.2 A 550 TYR H H 1 8.095 0.02 A 550 TYR HA H 1 5.779 0.02 A 550 TYR HBy H 1 3.114 0.02 A 550 TYR HBx H 1 3.073 0.02 A 550 TYR HD1 H 1 7.043 0.02 A 550 TYR HD2 H 1 7.043 0.02 A 550 TYR HE1 H 1 6.808 0.02 A 550 TYR HE2 H 1 6.808 0.02 A 550 TYR C C 13 174.842 0.2 A 550 TYR CA C 13 55.863 0.2 A 550 TYR CB C 13 42.228 0.2 A 550 TYR CD1 C 13 133.959 0.2 A 550 TYR CD2 C 13 133.959 0.2 A 550 TYR CE1 C 13 120.588 0.2 A 550 TYR CE2 C 13 120.588 0.2 A 550 TYR N N 15 117.719 0.2 A 551 VAL H H 1 8.521 0.02 A 551 VAL HA H 1 4.478 0.02 A 551 VAL HB H 1 2.164 0.02 A 551 VAL HG1% H 1 1.193 0.02 A 551 VAL HG2% H 1 1.211 0.02 A 551 VAL C C 13 174.943 0.2 A 551 VAL CA C 13 59.911 0.2 A 551 VAL CB C 13 36.801 0.2 A 551 VAL CG1 C 13 22.128 0.2 A 551 VAL CG2 C 13 21.962 0.2 A 551 VAL N N 15 117.928 0.2 A 552 VAL H H 1 8.626 0.02 A 552 VAL HA H 1 4.171 0.02 A 552 VAL HB H 1 1.887 0.02 A 552 VAL HG1% H 1 1.025 0.02 A 552 VAL HG2% H 1 1.061 0.02 A 552 VAL C C 13 175.526 0.2 A 552 VAL CA C 13 63.199 0.2 A 552 VAL CB C 13 32.051 0.2 A 552 VAL CG1 C 13 21.183 0.2 A 552 VAL CG2 C 13 22.437 0.2 A 552 VAL N N 15 126.67 0.2 A 553 VAL H H 1 8.329 0.02 A 553 VAL HA H 1 2.477 0.02 A 553 VAL HB H 1 1.482 0.02 A 553 VAL HG1% H 1 0.326 0.02 A 553 VAL HG2% H 1 -0.354 0.02 A 553 VAL C C 13 174.823 0.2 A 553 VAL CA C 13 61.04 0.2 A 553 VAL CB C 13 31.346 0.2 A 553 VAL CG1 C 13 20.2 0.2 A 553 VAL CG2 C 13 20.511 0.2 A 553 VAL N N 15 129.84 0.2 A 554 PRO HA H 1 4.405 0.02 A 554 PRO HBx H 1 2.296 0.02 A 554 PRO HBy H 1 2.296 0.02 A 554 PRO HDy H 1 3.287 0.02 A 554 PRO HDx H 1 2.829 0.02 A 554 PRO HGy H 1 2.028 0.02 A 554 PRO HGx H 1 1.904 0.02 A 554 PRO CA C 13 62.479 0.2 A 554 PRO CB C 13 32.733 0.2 A 554 PRO CD C 13 51.997 0.2 A 554 PRO CG C 13 27.089 0.2 A 556 THR HA H 1 4.167 0.02 A 556 THR HB H 1 4.501 0.02 A 556 THR HG2% H 1 1.266 0.02 A 556 THR C C 13 175.128 0.2 A 556 THR CA C 13 61.393 0.2 A 556 THR CB C 13 68.982 0.2 A 556 THR CG2 C 13 22.259 0.2 A 557 SER H H 1 7.389 0.02 A 557 SER HA H 1 4.527 0.02 A 557 SER HBx H 1 3.872 0.02 A 557 SER HBy H 1 3.926 0.02 A 557 SER C C 13 175.07 0.2 A 557 SER CA C 13 58.294 0.2 A 557 SER CB C 13 63.469 0.2 A 557 SER N N 15 116.731 0.2 A 558 GLN H H 1 8.052 0.02 A 558 GLN N N 15 121.041 0.2 A 559 ASP HA H 1 4.503 0.02 A 559 ASP HBy H 1 2.826 0.02 A 559 ASP HBx H 1 2.652 0.02 A 559 ASP C C 13 175.536 0.2 A 559 ASP CA C 13 53.284 0.2 A 559 ASP CB C 13 40.553 0.2 A 560 MET H H 1 7.927 0.02 A 560 MET HA H 1 3.917 0.02 A 560 MET HBx H 1 1.796 0.02 A 560 MET HBy H 1 2.35 0.02 A 560 MET HE% H 1 0.943 0.02 A 560 MET HGy H 1 2.143 0.02 A 560 MET HGx H 1 2.07 0.02 A 560 MET C C 13 175.016 0.2 A 560 MET CA C 13 56.32 0.2 A 560 MET CB C 13 31.035 0.2 A 560 MET CG C 13 32.04 0.2 A 560 MET N N 15 112.887 0.2 A 561 ALA H H 1 7.895 0.02 A 561 ALA HA H 1 5.932 0.02 A 561 ALA HB% H 1 1.141 0.02 A 561 ALA C C 13 176.603 0.2 A 561 ALA CA C 13 50.868 0.2 A 561 ALA CB C 13 23.195 0.2 A 561 ALA N N 15 122.288 0.2 A 562 PHE H H 1 8.065 0.02 A 562 PHE HA H 1 4.645 0.02 A 562 PHE HBy H 1 3.122 0.02 A 562 PHE HBx H 1 3.097 0.02 A 562 PHE HD1 H 1 6.749 0.02 A 562 PHE HD2 H 1 6.749 0.02 A 562 PHE HE1 H 1 6.188 0.02 A 562 PHE HE2 H 1 6.188 0.02 A 562 PHE HZ H 1 6.723 0.02 A 562 PHE C C 13 170.952 0.2 A 562 PHE CA C 13 56.416 0.2 A 562 PHE CB C 13 41.283 0.2 A 562 PHE N N 15 117.118 0.2 A 563 LYS H H 1 8.374 0.02 A 563 LYS HA H 1 4.527 0.02 A 563 LYS HBx H 1 1.432 0.02 A 563 LYS HBy H 1 1.432 0.02 A 563 LYS HDx H 1 1.517 0.02 A 563 LYS HDy H 1 1.517 0.02 A 563 LYS HEy H 1 2.892 0.02 A 563 LYS HEx H 1 2.846 0.02 A 563 LYS HGx H 1 0.982 0.02 A 563 LYS HGy H 1 0.982 0.02 A 563 LYS C C 13 176.129 0.2 A 563 LYS CA C 13 53.619 0.2 A 563 LYS CB C 13 33.695 0.2 A 563 LYS CD C 13 29.267 0.2 A 563 LYS CE C 13 41.425 0.2 A 563 LYS CG C 13 24.116 0.2 A 563 LYS N N 15 120.378 0.2 A 564 CYS H H 1 8.426 0.02 A 564 CYS HA H 1 4.663 0.02 A 564 CYS HBx H 1 2.273 0.02 A 564 CYS HBy H 1 3.47 0.02 A 564 CYS C C 13 175.7 0.2 A 564 CYS CA C 13 57.464 0.2 A 564 CYS CB C 13 30.68 0.2 A 564 CYS N N 15 132.559 0.2 A 565 PRO HA H 1 4.408 0.02 A 565 PRO HBy H 1 2.465 0.02 A 565 PRO HBx H 1 1.955 0.02 A 565 PRO HDx H 1 3.731 0.02 A 565 PRO HDy H 1 4.483 0.02 A 565 PRO HGy H 1 1.81 0.02 A 565 PRO HGx H 1 1.444 0.02 A 565 PRO C C 13 177.243 0.2 A 565 PRO CA C 13 64.387 0.2 A 565 PRO CB C 13 33.001 0.2 A 565 PRO CD C 13 52.284 0.2 A 565 PRO CG C 13 27.811 0.2 A 566 ILE H H 1 8.513 0.02 A 566 ILE HA H 1 4.138 0.02 A 566 ILE HB H 1 2.028 0.02 A 566 ILE HD1% H 1 0.973 0.02 A 566 ILE HG1x H 1 1.433 0.02 A 566 ILE HG1y H 1 1.903 0.02 A 566 ILE HG2% H 1 1.047 0.02 A 566 ILE C C 13 176.305 0.2 A 566 ILE CA C 13 63.692 0.2 A 566 ILE CB C 13 38.82 0.2 A 566 ILE CD1 C 13 13.362 0.2 A 566 ILE CG1 C 13 28.694 0.2 A 566 ILE CG2 C 13 16.609 0.2 A 566 ILE N N 15 118.426 0.2 A 567 CYS H H 1 7.762 0.02 A 567 CYS HA H 1 4.937 0.02 A 567 CYS HBy H 1 3.326 0.02 A 567 CYS HBx H 1 3.076 0.02 A 567 CYS C C 13 176.187 0.2 A 567 CYS CA C 13 58.71 0.2 A 567 CYS CB C 13 31.164 0.2 A 567 CYS N N 15 116.744 0.2 A 568 LYS H H 1 8.028 0.02 A 568 LYS HA H 1 4.026 0.02 A 568 LYS HBy H 1 2.061 0.02 A 568 LYS HBx H 1 2.018 0.02 A 568 LYS HDy H 1 1.597 0.02 A 568 LYS HDx H 1 1.543 0.02 A 568 LYS HEx H 1 3.08 0.02 A 568 LYS HEy H 1 3.113 0.02 A 568 LYS HGx H 1 1.254 0.02 A 568 LYS HGy H 1 1.335 0.02 A 568 LYS C C 13 175.221 0.2 A 568 LYS CA C 13 58.035 0.2 A 568 LYS CB C 13 28.521 0.2 A 568 LYS CD C 13 29.12 0.2 A 568 LYS CE C 13 42.449 0.2 A 568 LYS CG C 13 25.127 0.2 A 568 LYS N N 15 116.938 0.2 A 569 GLU H H 1 8.368 0.02 A 569 GLU HA H 1 4.476 0.02 A 569 GLU HBy H 1 2.549 0.02 A 569 GLU HBx H 1 2.464 0.02 A 569 GLU HGx H 1 2.51 0.02 A 569 GLU HGy H 1 2.51 0.02 A 569 GLU C C 13 175.886 0.2 A 569 GLU CA C 13 56.308 0.2 A 569 GLU CB C 13 31.537 0.2 A 569 GLU CG C 13 36.469 0.2 A 569 GLU N N 15 120.714 0.2 A 570 THR H H 1 8.54 0.02 A 570 THR HA H 1 4.386 0.02 A 570 THR HB H 1 3.852 0.02 A 570 THR HG2% H 1 0.924 0.02 A 570 THR C C 13 174.055 0.2 A 570 THR CA C 13 63.172 0.2 A 570 THR CB C 13 69.706 0.2 A 570 THR CG2 C 13 21.705 0.2 A 570 THR N N 15 118.209 0.2 A 571 VAL H H 1 8.74 0.02 A 571 VAL HA H 1 3.877 0.02 A 571 VAL HB H 1 0.121 0.02 A 571 VAL HG1% H 1 0.723 0.02 A 571 VAL HG2% H 1 0.03 0.02 A 571 VAL C C 13 174.17 0.2 A 571 VAL CA C 13 61.893 0.2 A 571 VAL CB C 13 31.983 0.2 A 571 VAL CG1 C 13 20.427 0.2 A 571 VAL CG2 C 13 21.642 0.2 A 571 VAL N N 15 132.62 0.2 A 572 THR H H 1 8.068 0.02 A 572 THR HA H 1 5.252 0.02 A 572 THR HB H 1 4.231 0.02 A 572 THR HG2% H 1 1.3 0.02 A 572 THR C C 13 175.763 0.2 A 572 THR CA C 13 59.962 0.2 A 572 THR CB C 13 70.819 0.2 A 572 THR CG2 C 13 21.894 0.2 A 572 THR N N 15 116.305 0.2 A 573 GLY H H 1 8.855 0.02 A 573 GLY HAy H 1 4.679 0.02 A 573 GLY HAx H 1 3.568 0.02 A 573 GLY C C 13 172.73 0.2 A 573 GLY CA C 13 46.371 0.2 A 573 GLY N N 15 110.588 0.2 A 574 VAL H H 1 9.461 0.02 A 574 VAL HA H 1 4.842 0.02 A 574 VAL HB H 1 2.131 0.02 A 574 VAL HG1% H 1 1.036 0.02 A 574 VAL HG2% H 1 1.061 0.02 A 574 VAL C C 13 173.424 0.2 A 574 VAL CA C 13 59.975 0.2 A 574 VAL CB C 13 35.717 0.2 A 574 VAL CG1 C 13 20.54 0.2 A 574 VAL CG2 C 13 22.164 0.2 A 574 VAL N N 15 120.931 0.2 A 575 TYR H H 1 8.392 0.02 A 575 TYR HA H 1 3.57 0.02 A 575 TYR HBy H 1 2.111 0.02 A 575 TYR HBx H 1 0.801 0.02 A 575 TYR HD1 H 1 5.701 0.02 A 575 TYR HD2 H 1 5.701 0.02 A 575 TYR HE1 H 1 6.379 0.02 A 575 TYR HE2 H 1 6.379 0.02 A 575 TYR C C 13 174.578 0.2 A 575 TYR CA C 13 58.199 0.2 A 575 TYR CB C 13 37.201 0.2 A 575 TYR CD1 C 13 133.084 0.2 A 575 TYR CD2 C 13 133.084 0.2 A 575 TYR CE1 C 13 117.773 0.2 A 575 TYR CE2 C 13 117.773 0.2 A 575 TYR N N 15 126.835 0.2 A 576 ASP H H 1 8.212 0.02 A 576 ASP HA H 1 4.448 0.02 A 576 ASP HBy H 1 2.75 0.02 A 576 ASP HBx H 1 2.041 0.02 A 576 ASP C C 13 174.323 0.2 A 576 ASP CA C 13 52.518 0.2 A 576 ASP CB C 13 42.103 0.2 A 576 ASP N N 15 130.541 0.2 A 577 GLU H H 1 8.469 0.02 A 577 GLU HA H 1 3.589 0.02 A 577 GLU HBy H 1 2.153 0.02 A 577 GLU HBx H 1 1.973 0.02 A 577 GLU HGx H 1 2.315 0.02 A 577 GLU HGy H 1 2.315 0.02 A 577 GLU C C 13 177.995 0.2 A 577 GLU CA C 13 58.682 0.2 A 577 GLU CB C 13 29.517 0.2 A 577 GLU CG C 13 36.185 0.2 A 577 GLU N N 15 125.252 0.2 A 578 GLU H H 1 8.114 0.02 A 578 GLU HA H 1 3.981 0.02 A 578 GLU HBy H 1 2.147 0.02 A 578 GLU HBx H 1 2.093 0.02 A 578 GLU HGy H 1 2.244 0.02 A 578 GLU HGx H 1 2.173 0.02 A 578 GLU C C 13 177.662 0.2 A 578 GLU CA C 13 59.025 0.2 A 578 GLU CB C 13 29.419 0.2 A 578 GLU CG C 13 36.572 0.2 A 578 GLU N N 15 117.954 0.2 A 579 SER H H 1 7.491 0.02 A 579 SER HA H 1 4.343 0.02 A 579 SER HBy H 1 3.791 0.02 A 579 SER HBx H 1 3.679 0.02 A 579 SER C C 13 176.024 0.2 A 579 SER CA C 13 58.658 0.2 A 579 SER CB C 13 64.695 0.2 A 579 SER N N 15 111.535 0.2 A 580 GLY H H 1 8.177 0.02 A 580 GLY HAy H 1 3.91 0.02 A 580 GLY HAx H 1 3.582 0.02 A 580 GLY C C 13 173.582 0.2 A 580 GLY CA C 13 46.149 0.2 A 580 GLY N N 15 113.357 0.2 A 581 GLU H H 1 6.982 0.02 A 581 GLU HA H 1 4.717 0.02 A 581 GLU HBy H 1 2.111 0.02 A 581 GLU HBx H 1 2.068 0.02 A 581 GLU HGx H 1 1.541 0.02 A 581 GLU HGy H 1 1.541 0.02 A 581 GLU C C 13 174.752 0.2 A 581 GLU CA C 13 53.909 0.2 A 581 GLU CB C 13 32.603 0.2 A 581 GLU CG C 13 35.136 0.2 A 581 GLU N N 15 116.691 0.2 A 582 TRP H H 1 8.818 0.02 A 582 TRP HA H 1 4.822 0.02 A 582 TRP HBy H 1 3.022 0.02 A 582 TRP HBx H 1 2.768 0.02 A 582 TRP HD1 H 1 7.354 0.02 A 582 TRP HE1 H 1 10.047 0.02 A 582 TRP HE3 H 1 7.04 0.02 A 582 TRP HH2 H 1 7.137 0.02 A 582 TRP HZ2 H 1 7.255 0.02 A 582 TRP HZ3 H 1 7.108 0.02 A 582 TRP C C 13 176.709 0.2 A 582 TRP CA C 13 56.928 0.2 A 582 TRP CB C 13 28.864 0.2 A 582 TRP CD1 C 13 128.193 0.2 A 582 TRP CE3 C 13 120.328 0.2 A 582 TRP CH2 C 13 124.144 0.2 A 582 TRP CZ2 C 13 114.685 0.2 A 582 TRP CZ3 C 13 122.136 0.2 A 582 TRP N N 15 122.404 0.2 A 582 TRP NE1 N 15 129.193 0.2 A 583 VAL H H 1 9.422 0.02 A 583 VAL HA H 1 5.138 0.02 A 583 VAL HB H 1 2.017 0.02 A 583 VAL HG1% H 1 0.737 0.02 A 583 VAL HG2% H 1 0.709 0.02 A 583 VAL C C 13 175.058 0.2 A 583 VAL CA C 13 59.318 0.2 A 583 VAL CB C 13 36.836 0.2 A 583 VAL CG1 C 13 21.844 0.2 A 583 VAL CG2 C 13 18.689 0.2 A 583 VAL N N 15 115.143 0.2 A 584 TRP H H 1 9.274 0.02 A 584 TRP HA H 1 5.27 0.02 A 584 TRP HBy H 1 3.649 0.02 A 584 TRP HBx H 1 3.263 0.02 A 584 TRP HD1 H 1 6.738 0.02 A 584 TRP HE1 H 1 9.332 0.02 A 584 TRP HE3 H 1 6.766 0.02 A 584 TRP HH2 H 1 6.73 0.02 A 584 TRP HZ2 H 1 6.88 0.02 A 584 TRP HZ3 H 1 6.284 0.02 A 584 TRP C C 13 176.443 0.2 A 584 TRP CA C 13 54.324 0.2 A 584 TRP CB C 13 28.414 0.2 A 584 TRP CD1 C 13 123.41 0.2 A 584 TRP CE3 C 13 120.956 0.2 A 584 TRP CH2 C 13 124.402 0.2 A 584 TRP CZ2 C 13 113.446 0.2 A 584 TRP CZ3 C 13 123.254 0.2 A 584 TRP N N 15 123.705 0.2 A 584 TRP NE1 N 15 127.167 0.2 A 585 LYS H H 1 8.673 0.02 A 585 LYS HA H 1 4.579 0.02 A 585 LYS HBy H 1 2.074 0.02 A 585 LYS HBx H 1 1.904 0.02 A 585 LYS HDx H 1 1.679 0.02 A 585 LYS HDy H 1 1.679 0.02 A 585 LYS HGy H 1 1.578 0.02 A 585 LYS HGx H 1 1.352 0.02 A 585 LYS C C 13 178.902 0.2 A 585 LYS CA C 13 56.33 0.2 A 585 LYS CB C 13 33.35 0.2 A 585 LYS CD C 13 28.651 0.2 A 585 LYS N N 15 122.074 0.2 A 586 ASN H H 1 8.819 0.02 A 586 ASN HA H 1 4.924 0.02 A 586 ASN HBy H 1 3.363 0.02 A 586 ASN HBx H 1 2.809 0.02 A 586 ASN HD2y H 1 7.541 0.02 A 586 ASN HD2x H 1 7.318 0.02 A 586 ASN C C 13 176.053 0.2 A 586 ASN CA C 13 54.554 0.2 A 586 ASN CB C 13 36.979 0.2 A 586 ASN N N 15 123.77 0.2 A 586 ASN ND2 N 15 108.929 0.2 A 587 THR H H 1 8.17 0.02 A 587 THR HA H 1 5.493 0.02 A 587 THR HB H 1 3.944 0.02 A 587 THR HG2% H 1 1.152 0.02 A 587 THR C C 13 172.131 0.2 A 587 THR CA C 13 63.118 0.2 A 587 THR CB C 13 73.035 0.2 A 587 THR CG2 C 13 22.663 0.2 A 587 THR N N 15 114.622 0.2 A 588 ILE H H 1 8.898 0.02 A 588 ILE HA H 1 4.442 0.02 A 588 ILE HB H 1 1.57 0.02 A 588 ILE HD1% H 1 0.282 0.02 A 588 ILE HG1y H 1 1.284 0.02 A 588 ILE HG1x H 1 0.767 0.02 A 588 ILE HG2% H 1 0.742 0.02 A 588 ILE C C 13 171.772 0.2 A 588 ILE CA C 13 58.913 0.2 A 588 ILE CB C 13 43.37 0.2 A 588 ILE CD1 C 13 13.665 0.2 A 588 ILE CG1 C 13 27.041 0.2 A 588 ILE CG2 C 13 17.232 0.2 A 588 ILE N N 15 119.5 0.2 A 589 GLU H H 1 8.326 0.02 A 589 GLU HA H 1 4.826 0.02 A 589 GLU HBy H 1 1.685 0.02 A 589 GLU HBx H 1 1.472 0.02 A 589 GLU HGy H 1 1.707 0.02 A 589 GLU HGx H 1 1.488 0.02 A 589 GLU C C 13 175.524 0.2 A 589 GLU CA C 13 54.146 0.2 A 589 GLU CB C 13 31.875 0.2 A 589 GLU CG C 13 35.1 0.2 A 589 GLU N N 15 124.829 0.2 A 590 VAL H H 1 9.005 0.02 A 590 VAL HA H 1 4.014 0.02 A 590 VAL HB H 1 1.766 0.02 A 590 VAL HG1% H 1 0.708 0.02 A 590 VAL HG2% H 1 0.11 0.02 A 590 VAL CA C 13 61.435 0.2 A 590 VAL CB C 13 33.928 0.2 A 590 VAL CG1 C 13 20.569 0.2 A 590 VAL CG2 C 13 20.153 0.2 A 590 VAL N N 15 126.488 0.2 A 591 ASN HA H 1 4.325 0.02 A 591 ASN HBy H 1 3.071 0.02 A 591 ASN HBx H 1 2.726 0.02 A 591 ASN C C 13 175.161 0.2 A 591 ASN CA C 13 54.026 0.2 A 591 ASN CB C 13 37.798 0.2 A 592 GLY H H 1 8.984 0.02 A 592 GLY HA2 H 1 3.512 0.02 A 592 GLY HA3 H 1 3.997 0.02 A 592 GLY C C 13 172.8 0.2 A 592 GLY CA C 13 45.348 0.2 A 592 GLY N N 15 104.669 0.2 A 593 LYS H H 1 7.478 0.02 A 593 LYS HA H 1 4.204 0.02 A 593 LYS HB2 H 1 1.482 0.02 A 593 LYS HB3 H 1 1.482 0.02 A 593 LYS HD2 H 1 1.672 0.02 A 593 LYS HD3 H 1 1.672 0.02 A 593 LYS HE2 H 1 2.88 0.02 A 593 LYS HE3 H 1 2.841 0.02 A 593 LYS HG2 H 1 1.213 0.02 A 593 LYS HG3 H 1 1.326 0.02 A 593 LYS C C 13 173.267 0.2 A 593 LYS CA C 13 54.03 0.2 A 593 LYS CB C 13 34.967 0.2 A 593 LYS CD C 13 28.974 0.2 A 593 LYS CE C 13 41.666 0.2 A 593 LYS CG C 13 24.532 0.2 A 593 LYS N N 15 120.466 0.2 A 594 TYR H H 1 7.084 0.02 A 594 TYR HA H 1 4.854 0.02 A 594 TYR HBx H 1 1 0.02 A 594 TYR HBy H 1 1 0.02 A 594 TYR HD1 H 1 6.576 0.02 A 594 TYR HD2 H 1 6.576 0.02 A 594 TYR HE1 H 1 6.758 0.02 A 594 TYR HE2 H 1 6.758 0.02 A 594 TYR C C 13 173.831 0.2 A 594 TYR CA C 13 56.881 0.2 A 594 TYR CB C 13 37.633 0.2 A 594 TYR CD1 C 13 132.789 0.2 A 594 TYR CD2 C 13 132.789 0.2 A 594 TYR CE1 C 13 117.675 0.2 A 594 TYR CE2 C 13 117.675 0.2 A 594 TYR N N 15 119.829 0.2 A 595 PHE H H 1 8.437 0.02 A 595 PHE HA H 1 5.048 0.02 A 595 PHE HBy H 1 3.331 0.02 A 595 PHE HBx H 1 2.566 0.02 A 595 PHE HD1 H 1 7.069 0.02 A 595 PHE HD2 H 1 7.069 0.02 A 595 PHE HE1 H 1 7.324 0.02 A 595 PHE HE2 H 1 7.324 0.02 A 595 PHE HZ H 1 7.359 0.02 A 595 PHE C C 13 176.91 0.2 A 595 PHE CA C 13 55.669 0.2 A 595 PHE CB C 13 45.52 0.2 A 595 PHE N N 15 116.353 0.2 A 596 HIS H H 1 9.093 0.02 A 596 HIS HA H 1 6.1 0.02 A 596 HIS HBy H 1 3.738 0.02 A 596 HIS HBx H 1 3.47 0.02 A 596 HIS HD2 H 1 7.638 0.02 A 596 HIS HE1 H 1 7.393 0.02 A 596 HIS C C 13 178.022 0.2 A 596 HIS CA C 13 58.495 0.2 A 596 HIS CB C 13 32.421 0.2 A 596 HIS CD2 C 13 119.21 0.2 A 596 HIS CE1 C 13 137.272 0.2 A 596 HIS N N 15 118.208 0.2 A 597 SER H H 1 8.063 0.02 A 597 SER HBx H 1 3.538 0.02 A 597 SER HBy H 1 3.538 0.02 A 597 SER CA C 13 60.91 0.2 A 597 SER CB C 13 64.264 0.2 A 597 SER N N 15 118.233 0.2 A 598 THR HA H 1 4.016 0.02 A 598 THR HB H 1 4.36 0.02 A 598 THR HG2% H 1 1.419 0.02 A 598 THR C C 13 178.246 0.2 A 598 THR CA C 13 64.798 0.2 A 598 THR CB C 13 67.505 0.2 A 598 THR CG2 C 13 23.441 0.2 A 599 CYS H H 1 6.955 0.02 A 599 CYS HA H 1 4.065 0.02 A 599 CYS HBx H 1 2.946 0.02 A 599 CYS HBy H 1 3.121 0.02 A 599 CYS C C 13 177.445 0.2 A 599 CYS CA C 13 63.699 0.2 A 599 CYS CB C 13 29.622 0.2 A 599 CYS N N 15 117.809 0.2 A 600 TYR H H 1 8.395 0.02 A 600 TYR HA H 1 3.605 0.02 A 600 TYR HBx H 1 2.71 0.02 A 600 TYR HBy H 1 2.71 0.02 A 600 TYR HD1 H 1 5.835 0.02 A 600 TYR HD2 H 1 5.835 0.02 A 600 TYR HE1 H 1 6.209 0.02 A 600 TYR HE2 H 1 6.209 0.02 A 600 TYR CA C 13 62.263 0.2 A 600 TYR CB C 13 39.202 0.2 A 600 TYR CD1 C 13 132.538 0.2 A 600 TYR CD2 C 13 132.538 0.2 A 600 TYR CE1 C 13 118.093 0.2 A 600 TYR CE2 C 13 118.093 0.2 A 600 TYR N N 15 119.315 0.2 A 601 HIS HBy H 1 3.132 0.02 A 601 HIS HBx H 1 3.089 0.02 A 601 HIS HD2 H 1 6.843 0.02 A 601 HIS HE1 H 1 7.854 0.02 A 601 HIS CD2 C 13 118.556 0.2 A 601 HIS CE1 C 13 138.571 0.2 A 601 HIS ND1 N 15 224.041 0.2 A 601 HIS NE2 N 15 167.075 0.2 A 602 GLU HA H 1 4.07 0.02 A 602 GLU HBx H 1 2.09 0.02 A 602 GLU HBy H 1 2.09 0.02 A 602 GLU HGx H 1 2.326 0.02 A 602 GLU HGy H 1 2.326 0.02 A 602 GLU C C 13 178.03 0.2 A 602 GLU CA C 13 58.414 0.2 A 602 GLU CB C 13 29.471 0.2 A 602 GLU CG C 13 36.241 0.2 A 603 THR H H 1 7.602 0.02 A 603 THR HB H 1 4.14 0.02 A 603 THR HG2% H 1 1.207 0.02 A 603 THR C C 13 175.435 0.2 A 603 THR CA C 13 63.604 0.2 A 603 THR CB C 13 69.364 0.2 A 603 THR CG2 C 13 21.379 0.2 A 603 THR N N 15 111.668 0.2 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-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 551 VAL H A 587 THR H 1.0 2.0 5.4 2 2 A 569 GLU H A 564 CYS HBy 1.0 1.9 4.1 3 3 A 588 ILE H A 587 THR HG2% 1.0 1.8 3.6 4 4 A 588 ILE H A 588 ILE HG1x 1.0 1.8 3.6 5 4 A 588 ILE H A 588 ILE HG2% 1.0 1.8 3.6 6 5 A 569 GLU H A 564 CYS HBx 1.0 2.0 5.0 7 6 A 597 SER H A 597 SER HBy 1.0 1.8 4.0 8 6 A 597 SER H A 597 SER HBx 1.0 1.8 4.0 9 7 A 550 TYR H A 549 LYS HA 1.0 1.6 2.8 10 8 A 550 TYR H A 550 TYR HBy 1.0 1.9 4.5 11 8 A 550 TYR H A 550 TYR HBx 1.0 1.9 4.5 12 9 A 552 VAL H A 552 VAL HB 1.0 1.7 3.1 13 10 A 552 VAL H A 552 VAL HG2% 1.0 1.6 2.8 14 10 A 552 VAL H A 552 VAL HG1% 1.0 1.6 2.8 15 11 A 553 VAL H A 552 VAL HA 1.0 1.6 2.6 16 12 A 552 VAL HG1% A 553 VAL H 1.0 1.7 3.3 17 12 A 552 VAL HG2% A 553 VAL H 1.0 1.7 3.3 18 13 A 553 VAL H A 553 VAL HA 1.0 1.8 3.8 19 14 A 553 VAL H A 553 VAL HB 1.0 1.6 3.0 20 15 A 553 VAL H A 553 VAL HG1% 1.0 2.0 5.6 21 16 A 553 VAL H A 553 VAL HG2% 1.0 1.6 2.8 22 17 A 553 VAL H A 583 VAL HA 1.0 1.8 3.6 23 18 A 553 VAL H A 583 VAL HG1% 1.0 2.0 5.2 24 19 A 560 MET H A 559 ASP HA 1.0 2.0 5.2 25 20 A 560 MET H A 560 MET HA 1.0 1.8 4.0 26 21 A 560 MET H A 560 MET HBx 1.0 2.0 5.0 27 22 A 560 MET H A 560 MET HGy 1.0 1.9 5.1 28 22 A 560 MET H A 560 MET HGx 1.0 1.9 5.1 29 23 A 560 MET HA A 561 ALA H 1.0 1.8 4.0 30 24 A 561 ALA H A 561 ALA HA 1.0 1.9 3.9 31 25 A 561 ALA H A 561 ALA HB% 1.0 1.7 3.1 32 26 A 561 ALA HA A 562 PHE H 1.0 1.6 2.8 33 27 A 561 ALA H A 562 PHE H 1.0 2.0 5.8 34 28 A 562 PHE H A 584 TRP HE1 1.0 2.0 6.0 35 29 A 563 LYS H A 562 PHE HA 1.0 1.7 3.1 36 30 A 563 LYS H A 563 LYS HBx 1.0 1.6 2.8 37 30 A 563 LYS H A 563 LYS HBy 1.0 1.6 2.8 38 31 A 563 LYS H A 563 LYS HGx 1.0 2.0 5.6 39 31 A 563 LYS H A 563 LYS HGy 1.0 2.0 5.6 40 32 A 564 CYS H A 563 LYS HA 1.0 1.6 2.6 41 33 A 563 LYS HBx A 564 CYS H 1.0 1.9 5.3 42 33 A 563 LYS HBy A 564 CYS H 1.0 1.9 5.3 43 34 A 563 LYS HGx A 564 CYS H 1.0 1.8 3.8 44 34 A 563 LYS HGy A 564 CYS H 1.0 1.8 3.8 45 35 A 564 CYS HBy A 564 CYS H 1.0 1.7 3.1 46 36 A 564 CYS HBx A 564 CYS H 1.0 1.8 3.8 47 37 A 564 CYS H A 570 THR HA 1.0 2.0 5.6 48 38 A 566 ILE H A 566 ILE HB 1.0 1.8 3.4 49 39 A 566 ILE H A 566 ILE HG1x 1.0 2.0 4.8 50 40 A 566 ILE H A 568 LYS H 1.0 2.0 4.6 51 41 A 564 CYS HBy A 567 CYS H 1.0 2.0 4.8 52 42 A 566 ILE H A 567 CYS H 1.0 1.7 3.3 53 43 A 566 ILE HB A 567 CYS H 1.0 1.7 3.1 54 44 A 567 CYS H A 566 ILE HG2% 1.0 1.9 4.5 55 45 A 567 CYS H A 567 CYS HA 1.0 1.9 4.1 56 46 A 567 CYS H A 567 CYS HBx 1.0 1.8 3.8 57 47 A 567 CYS H A 567 CYS HBy 1.0 2.0 6.0 58 48 A 568 LYS H A 567 CYS H 1.0 1.7 2.9 59 49 A 567 CYS H A 568 LYS HA 1.0 1.9 6.0 60 50 A 568 LYS H A 568 LYS HDx 1.0 2.0 6.0 61 50 A 568 LYS H A 568 LYS HDy 1.0 2.0 6.0 62 51 A 564 CYS HBy A 568 LYS H 1.0 1.9 4.7 63 52 A 564 CYS HBx A 568 LYS H 1.0 2.0 6.0 64 53 A 566 ILE HB A 568 LYS H 1.0 2.0 6.0 65 54 A 568 LYS H A 567 CYS HA 1.0 2.0 6.0 66 55 A 568 LYS H A 568 LYS HA 1.0 1.6 2.6 67 56 A 569 GLU H A 568 LYS H 1.0 1.7 3.3 68 57 A 569 GLU H A 568 LYS HA 1.0 1.9 4.1 69 58 A 569 GLU H A 569 GLU HA 1.0 1.7 3.5 70 59 A 569 GLU H A 569 GLU HBy 1.0 1.8 3.6 71 59 A 569 GLU H A 569 GLU HBx 1.0 1.8 3.6 72 60 A 566 ILE H A 602 GLU HGy 1.0 2.0 6.0 73 60 A 566 ILE H A 602 GLU HGx 1.0 2.0 6.0 74 61 A 570 THR H A 563 LYS HDx 1.0 1.9 4.5 75 61 A 570 THR H A 563 LYS HDy 1.0 1.9 4.5 76 62 A 569 GLU HA A 570 THR H 1.0 1.5 2.7 77 63 A 569 GLU HBx A 570 THR H 1.0 2.0 5.4 78 63 A 569 GLU HBy A 570 THR H 1.0 2.0 5.4 79 64 A 570 THR H A 570 THR HB 1.0 1.6 3.0 80 65 A 561 ALA HB% A 571 VAL H 1.0 2.0 5.2 81 66 A 570 THR H A 571 VAL H 1.0 2.0 6.0 82 67 A 570 THR HB A 571 VAL H 1.0 1.9 5.3 83 68 A 571 VAL H A 570 THR HG2% 1.0 1.8 3.4 84 69 A 571 VAL H A 571 VAL HB 1.0 1.7 3.1 85 70 A 571 VAL H A 571 VAL HG1% 1.0 2.0 6.0 86 71 A 570 THR HG2% A 572 THR H 1.0 1.9 4.9 87 72 A 572 THR H A 571 VAL HA 1.0 1.5 2.5 88 73 A 571 VAL HB A 572 THR H 1.0 2.0 5.2 89 74 A 571 VAL HG1% A 572 THR H 1.0 1.8 3.8 90 75 A 572 THR H A 571 VAL HG2% 1.0 0.0 6.0 91 76 A 572 THR H A 572 THR HA 1.0 1.9 3.9 92 77 A 572 THR H A 572 THR HB 1.0 1.9 4.7 93 78 A 572 THR H A 572 THR HG2% 1.0 1.8 3.8 94 79 A 572 THR H A 573 GLY H 1.0 2.0 6.0 95 80 A 573 GLY H A 560 MET HBy 1.0 0.0 6.0 96 81 A 560 MET HBx A 573 GLY H 1.0 2.0 4.8 97 82 A 561 ALA HA A 573 GLY H 1.0 2.0 5.4 98 83 A 561 ALA HB% A 573 GLY H 1.0 2.0 5.8 99 84 A 572 THR HA A 573 GLY H 1.0 1.6 3.0 100 85 A 572 THR HG2% A 573 GLY H 1.0 2.0 5.4 101 86 A 573 GLY H A 573 GLY HAx 1.0 1.8 3.4 102 87 A 573 GLY H A 573 GLY HAy 1.0 1.8 4.0 103 88 A 584 TRP HE1 A 573 GLY H 1.0 1.8 3.6 104 89 A 553 VAL HG2% A 574 VAL H 1.0 2.0 5.4 105 90 A 573 GLY H A 574 VAL H 1.0 2.0 6.0 106 91 A 573 GLY HAy A 574 VAL H 1.0 1.7 3.3 107 92 A 574 VAL H A 574 VAL HA 1.0 1.9 3.9 108 93 A 574 VAL H A 574 VAL HB 1.0 1.9 4.1 109 94 A 574 VAL H A 574 VAL HG1% 1.0 1.8 3.8 110 94 A 574 VAL H A 574 VAL HG2% 1.0 1.8 3.8 111 95 A 583 VAL HG1% A 574 VAL H 1.0 1.9 4.5 112 95 A 574 VAL H A 583 VAL HG2% 1.0 1.9 4.5 113 96 A 574 VAL H A 575 TYR H 1.0 2.0 5.8 114 97 A 574 VAL HG2% A 575 TYR H 1.0 1.7 3.3 115 97 A 574 VAL HG1% A 575 TYR H 1.0 1.7 3.3 116 98 A 575 TYR H A 575 TYR HBx 1.0 1.6 3.0 117 99 A 575 TYR H A 575 TYR HBy 1.0 1.6 2.8 118 100 A 575 TYR H A 576 ASP H 1.0 1.9 5.3 119 101 A 575 TYR H A 577 GLU HGy 1.0 0.0 6.0 120 101 A 575 TYR H A 577 GLU HGx 1.0 0.0 6.0 121 102 A 574 VAL H A 576 ASP H 1.0 0.0 6.0 122 103 A 576 ASP H A 575 TYR HA 1.0 1.5 2.5 123 104 A 575 TYR HBy A 576 ASP H 1.0 2.0 5.6 124 105 A 576 ASP H A 576 ASP HA 1.0 1.8 3.8 125 106 A 576 ASP H A 576 ASP HBx 1.0 1.7 3.3 126 107 A 576 ASP H A 576 ASP HBy 1.0 1.8 3.6 127 108 A 576 ASP HA A 577 GLU H 1.0 1.6 2.8 128 109 A 577 GLU H A 578 GLU H 1.0 1.9 3.9 129 110 A 579 SER H A 581 GLU H 1.0 2.0 5.8 130 111 A 579 SER H A 578 GLU HA 1.0 2.0 5.4 131 112 A 579 SER H A 579 SER HA 1.0 1.8 4.0 132 113 A 579 SER H A 579 SER HBx 1.0 1.9 4.1 133 114 A 579 SER H A 579 SER HBy 1.0 1.9 5.3 134 115 A 579 SER H A 580 GLY H 1.0 1.5 2.7 135 116 A 580 GLY H A 580 GLY HAx 1.0 1.8 3.6 136 117 A 580 GLY H A 580 GLY HAy 1.0 1.7 3.1 137 118 A 581 GLU H A 550 TYR HE% 1.0 0.0 6.0 138 119 A 581 GLU H A 581 GLU HBy 1.0 1.8 3.8 139 120 A 581 GLU H A 580 GLY H 1.0 1.7 3.1 140 121 A 581 GLU H A 580 GLY HAx 1.0 2.0 5.0 141 122 A 581 GLU H A 581 GLU HA 1.0 1.8 3.6 142 123 A 581 GLU H A 581 GLU HGy 1.0 1.9 3.9 143 123 A 581 GLU H A 581 GLU HGx 1.0 1.9 3.9 144 124 A 552 VAL HG1% A 582 TRP H 1.0 0.0 6.0 145 124 A 552 VAL HG2% A 582 TRP H 1.0 0.0 6.0 146 125 A 581 GLU HGx A 582 TRP H 1.0 1.9 5.5 147 125 A 581 GLU HGy A 582 TRP H 1.0 1.9 5.5 148 126 A 573 GLY H A 582 TRP HBx 1.0 0.0 6.0 149 127 A 582 TRP H A 582 TRP HBy 1.0 1.6 3.0 150 128 A 582 TRP HE1 A 582 TRP HA 1.0 2.0 6.0 151 129 A 582 TRP HE1 A 582 TRP HH2 1.0 1.9 6.0 152 130 A 553 VAL HG2% A 583 VAL H 1.0 1.9 4.7 153 131 A 582 TRP HA A 583 VAL H 1.0 1.6 3.0 154 132 A 582 TRP HBx A 583 VAL H 1.0 1.9 3.9 155 133 A 583 VAL HG1% A 583 VAL H 1.0 1.7 3.1 156 133 A 583 VAL HG2% A 583 VAL H 1.0 1.7 3.1 157 134 A 583 VAL H A 584 TRP H 1.0 2.0 5.6 158 135 A 551 VAL H A 584 TRP H 1.0 1.8 3.8 159 136 A 552 VAL HA A 584 TRP H 1.0 1.9 4.9 160 137 A 553 VAL HG2% A 584 TRP H 1.0 1.9 4.5 161 138 A 583 VAL HA A 584 TRP H 1.0 1.6 2.8 162 139 A 584 TRP H A 583 VAL HB 1.0 1.7 3.5 163 140 A 583 VAL HG1% A 584 TRP H 1.0 2.0 5.4 164 141 A 584 TRP H A 584 TRP HBx 1.0 2.0 5.0 165 142 A 553 VAL HG1% A 584 TRP HE1 1.0 2.0 5.0 166 143 A 561 ALA HB% A 584 TRP HE1 1.0 2.0 5.2 167 144 A 584 TRP HE1 A 571 VAL HG1% 1.0 2.0 4.6 168 145 A 584 TRP HE1 A 573 GLY HAy 1.0 2.0 6.0 169 146 A 584 TRP HE1 A 584 TRP HA 1.0 2.0 5.6 170 147 A 551 VAL H A 585 LYS H 1.0 2.0 6.0 171 148 A 585 LYS H A 585 LYS HDy 1.0 1.8 4.0 172 148 A 585 LYS H A 585 LYS HDx 1.0 1.8 4.0 173 149 A 586 ASN H A 585 LYS HBx 1.0 2.0 5.4 174 150 A 586 ASN H A 585 LYS HA 1.0 1.9 3.9 175 151 A 586 ASN H A 586 ASN HA 1.0 1.8 3.8 176 152 A 586 ASN HD2x A 598 THR HG2% 1.0 0.0 6.0 177 153 A 586 ASN HD2y A 586 ASN HBx 1.0 1.9 4.5 178 154 A 586 ASN HD2x A 586 ASN HBx 1.0 2.0 6.0 179 155 A 586 ASN HD2y A 586 ASN HBy 1.0 1.9 4.1 180 156 A 586 ASN HD2x A 586 ASN HBy 1.0 2.0 6.0 181 157 A 586 ASN HD2x A 586 ASN HD2y 1.0 1.6 2.8 182 158 A 587 THR H A 597 SER HBx 1.0 1.9 4.9 183 158 A 587 THR H A 597 SER HBy 1.0 1.9 4.9 184 159 A 587 THR H A 550 TYR HA 1.0 1.9 3.9 185 160 A 587 THR H A 587 THR HG2% 1.0 2.0 5.6 186 161 A 587 THR H A 586 ASN HA 1.0 1.8 3.6 187 162 A 588 ILE HG2% A 589 GLU H 1.0 1.8 3.8 188 162 A 588 ILE HG1x A 589 GLU H 1.0 1.8 3.8 189 163 A 589 GLU H A 589 GLU HGy 1.0 1.9 5.3 190 164 A 590 VAL H A 593 LYS H 1.0 1.9 4.3 191 165 A 590 VAL H A 589 GLU HA 1.0 1.5 2.7 192 166 A 590 VAL H A 590 VAL HB 1.0 1.7 3.3 193 167 A 590 VAL H A 590 VAL HG2% 1.0 1.9 3.9 194 168 A 593 LYS H A 595 PHE HZ 1.0 1.9 5.3 195 168 A 593 LYS H A 595 PHE HE% 1.0 1.9 5.3 196 169 A 593 LYS H A 594 TYR H 1.0 2.0 5.6 197 170 A 593 LYS H A 592 GLY H 1.0 1.7 3.3 198 171 A 593 LYS H A 592 GLY HA3 1.0 1.9 4.7 199 172 A 593 LYS H A 592 GLY HA2 1.0 1.9 4.9 200 173 A 593 LYS H A 593 LYS HA 1.0 1.8 3.8 201 174 A 593 LYS H A 593 LYS HB3 1.0 1.7 3.3 202 174 A 593 LYS H A 593 LYS HB2 1.0 1.7 3.3 203 175 A 594 TYR H A 593 LYS HA 1.0 1.6 2.8 204 176 A 594 TYR H A 593 LYS HB2 1.0 1.8 3.6 205 176 A 594 TYR H A 593 LYS HB3 1.0 1.8 3.6 206 177 A 594 TYR H A 593 LYS HD3 1.0 2.0 5.4 207 177 A 594 TYR H A 593 LYS HD2 1.0 2.0 5.4 208 178 A 594 TYR H A 593 LYS HG2 1.0 1.9 6.0 209 179 A 594 TYR H A 594 TYR HBy 1.0 1.7 3.3 210 179 A 594 TYR H A 594 TYR HBx 1.0 1.7 3.3 211 180 A 594 TYR H A 594 TYR HE% 1.0 2.0 5.8 212 181 A 590 VAL H A 595 PHE H 1.0 2.0 5.4 213 182 A 595 PHE H A 594 TYR HA 1.0 1.5 2.7 214 183 A 594 TYR HBx A 595 PHE H 1.0 1.9 4.5 215 183 A 594 TYR HBy A 595 PHE H 1.0 1.9 4.5 216 184 A 595 PHE H A 595 PHE HBx 1.0 2.0 5.6 217 185 A 595 PHE H A 595 PHE HBy 1.0 1.8 4.2 218 186 A 595 PHE H A 595 PHE HD% 1.0 1.9 4.7 219 187 A 599 CYS H A 596 HIS HBy 1.0 2.0 5.6 220 188 A 600 TYR H A 600 TYR HA 1.0 2.0 5.2 221 189 A 589 GLU HA A 589 GLU HBx 1.0 1.9 4.1 222 189 A 589 GLU HA A 589 GLU HGx 1.0 1.9 4.1 223 190 A 589 GLU HGy A 592 GLY HA2 1.0 2.0 4.6 224 191 A 594 TYR HBx A 594 TYR HA 1.0 1.7 3.5 225 191 A 594 TYR HBy A 594 TYR HA 1.0 1.7 3.5 226 192 A 575 TYR HBx A 582 TRP HA 1.0 1.8 6.0 227 193 A 577 GLU HA A 577 GLU HBx 1.0 1.7 3.3 228 194 A 560 MET HBx A 573 GLY HAx 1.0 2.0 6.0 229 195 A 561 ALA HB% A 572 THR HA 1.0 1.9 3.9 230 196 A 566 ILE HG2% A 603 THR HB 1.0 1.9 4.9 231 197 A 603 THR HB A 566 ILE HD1% 1.0 1.8 4.0 232 198 A 588 ILE HG1x A 588 ILE HG1y 1.0 1.7 2.9 233 199 A 589 GLU HGy A 594 TYR HE% 1.0 1.7 3.3 234 199 A 594 TYR HE% A 589 GLU HBy 1.0 1.7 3.3 235 200 A 587 THR HG2% A 594 TYR HE% 1.0 0.0 6.0 236 201 A 552 VAL HB A 552 VAL HA 1.0 1.8 3.6 237 202 A 583 VAL HA A 583 VAL HG2% 1.0 1.7 3.5 238 202 A 583 VAL HA A 583 VAL HG1% 1.0 1.7 3.5 239 203 A 588 ILE HG2% A 588 ILE HA 1.0 1.9 4.3 240 204 A 561 ALA HA A 584 TRP HZ2 1.0 1.8 3.8 241 205 A 553 VAL HG2% A 584 TRP HZ2 1.0 1.9 5.1 242 206 A 584 TRP HA A 562 PHE HE% 1.0 0.0 6.0 243 207 A 584 TRP HBy A 551 VAL HB 1.0 1.9 4.7 244 208 A 563 LYS HGx A 563 LYS HA 1.0 1.8 3.8 245 208 A 563 LYS HGy A 563 LYS HA 1.0 1.8 3.8 246 209 A 557 SER HBx A 554 PRO HGx 1.0 0.0 6.0 247 210 A 585 LYS HA A 550 TYR HA 1.0 1.8 3.6 248 211 A 562 PHE HE% A 562 PHE HD% 1.0 1.8 4.2 249 212 A 553 VAL HG1% A 582 TRP HD1 1.0 1.9 6.0 250 213 A 571 VAL HG1% A 584 TRP HZ3 1.0 0.0 6.0 251 214 A 535 THR HG21 A 535 THR HA 1.0 1.8 3.4 252 215 A 535 THR HG21 A 535 THR HB 1.0 1.5 2.7 253 216 A 546 ILE HA A 546 ILE HB 1.0 1.8 3.8 254 217 A 546 ILE HB A 546 ILE HD11 1.0 1.9 4.5 255 218 A 550 TYR HBx A 550 TYR HA 1.0 1.7 3.5 256 219 A 550 TYR HBx A 550 TYR HA 1.0 1.6 3.0 257 219 A 550 TYR HBy A 550 TYR HA 1.0 1.6 3.0 258 220 A 550 TYR HBx A 550 TYR HD% 1.0 1.7 3.1 259 220 A 550 TYR HBy A 550 TYR HD% 1.0 1.7 3.1 260 221 A 550 TYR HBx A 550 TYR HE% 1.0 2.0 6.0 261 221 A 550 TYR HBy A 550 TYR HE% 1.0 2.0 6.0 262 222 A 550 TYR HBx A 583 VAL HG2% 1.0 2.0 5.2 263 222 A 550 TYR HBy A 583 VAL HG2% 1.0 2.0 5.2 264 223 A 552 VAL HA A 550 TYR HD% 1.0 2.0 5.4 265 224 A 583 VAL HG1% A 550 TYR HD% 1.0 2.0 4.8 266 225 A 551 VAL HB A 551 VAL HA 1.0 1.8 3.6 267 226 A 553 VAL HA A 553 VAL HB 1.0 1.9 4.3 268 227 A 553 VAL HB A 582 TRP HBx 1.0 1.9 3.9 269 228 A 553 VAL HB A 582 TRP HBy 1.0 1.7 3.1 270 229 A 553 VAL HB A 582 TRP HD1 1.0 2.0 6.0 271 230 A 553 VAL HB A 553 VAL HG1% 1.0 1.5 2.7 272 231 A 553 VAL HG1% A 553 VAL HG2% 1.0 1.6 2.6 273 232 A 553 VAL HG1% A 582 TRP HE3 1.0 2.0 6.0 274 233 A 553 VAL HG1% A 584 TRP HZ2 1.0 1.7 3.5 275 234 A 553 VAL HB A 553 VAL HG2% 1.0 1.6 2.8 276 235 A 553 VAL HG2% A 582 TRP HD1 1.0 1.8 6.0 277 236 A 553 VAL HG2% A 582 TRP HE3 1.0 1.9 4.9 278 237 A 553 VAL HG2% A 584 TRP HA 1.0 2.0 5.8 279 238 A 554 PRO HA A 554 PRO HBx 1.0 1.6 3.0 280 238 A 554 PRO HA A 554 PRO HBy 1.0 1.6 3.0 281 239 A 554 PRO HGx A 554 PRO HA 1.0 1.8 3.4 282 240 A 554 PRO HA A 554 PRO HGy 1.0 2.0 5.8 283 241 A 584 TRP HZ2 A 554 PRO HDx 1.0 2.0 6.0 284 242 A 553 VAL HA A 554 PRO HDx 1.0 1.6 2.8 285 243 A 553 VAL HG1% A 554 PRO HDx 1.0 1.9 5.3 286 244 A 553 VAL HG2% A 554 PRO HDx 1.0 2.0 6.0 287 245 A 554 PRO HA A 554 PRO HDx 1.0 2.0 5.2 288 246 A 554 PRO HDx A 554 PRO HDy 1.0 1.4 2.4 289 247 A 554 PRO HGx A 554 PRO HDx 1.0 1.7 3.3 290 248 A 554 PRO HGy A 554 PRO HDx 1.0 1.9 4.7 291 249 A 554 PRO HDx A 584 TRP HD1 1.0 0.0 6.0 292 250 A 584 TRP HZ2 A 554 PRO HDy 1.0 2.0 4.8 293 251 A 553 VAL HA A 554 PRO HDy 1.0 1.7 3.5 294 252 A 553 VAL HG1% A 554 PRO HDy 1.0 1.7 3.3 295 253 A 553 VAL HG2% A 554 PRO HDy 1.0 2.0 6.0 296 254 A 554 PRO HA A 554 PRO HDy 1.0 2.0 6.0 297 255 A 554 PRO HGx A 554 PRO HDy 1.0 1.9 4.3 298 256 A 554 PRO HGy A 554 PRO HDy 1.0 1.8 3.4 299 257 A 554 PRO HDy A 584 TRP HD1 1.0 2.0 6.0 300 258 A 556 THR HA A 556 THR HB 1.0 1.5 2.7 301 259 A 556 THR HA A 556 THR HG2% 1.0 1.6 2.8 302 260 A 556 THR HB A 556 THR HG2% 1.0 1.6 2.6 303 261 A 559 ASP HA A 559 ASP HBy 1.0 1.8 3.4 304 262 A 559 ASP HA A 559 ASP HBx 1.0 1.7 3.1 305 263 A 553 VAL HG1% A 560 MET HA 1.0 1.7 3.3 306 264 A 553 VAL HG2% A 560 MET HA 1.0 2.0 6.0 307 265 A 560 MET HA A 560 MET HBy 1.0 1.8 3.4 308 266 A 560 MET HA A 560 MET HBx 1.0 1.9 4.1 309 267 A 560 MET HA A 560 MET HGx 1.0 1.8 3.6 310 268 A 560 MET HA A 560 MET HGy 1.0 1.9 4.3 311 269 A 560 MET HA A 584 TRP HZ2 1.0 1.8 3.6 312 270 A 560 MET HBx A 560 MET HBy 1.0 1.4 2.2 313 271 A 553 VAL HG1% A 560 MET HGx 1.0 1.8 3.6 314 271 A 553 VAL HG1% A 560 MET HGy 1.0 1.8 3.6 315 272 A 560 MET HA A 560 MET HGy 1.0 1.8 3.4 316 272 A 560 MET HA A 560 MET HGx 1.0 1.8 3.4 317 273 A 560 MET HGy A 560 MET HBy 1.0 1.7 3.3 318 273 A 560 MET HGx A 560 MET HBy 1.0 1.7 3.3 319 274 A 560 MET HGy A 560 MET HE% 1.0 1.7 3.1 320 274 A 560 MET HGx A 560 MET HE% 1.0 1.7 3.1 321 275 A 561 ALA HA A 572 THR HB 1.0 2.0 6.0 322 276 A 561 ALA HA A 572 THR HG2% 1.0 2.0 5.4 323 277 A 561 ALA HA A 561 ALA HB% 1.0 1.5 2.7 324 278 A 587 THR HG2% A 562 PHE HE% 1.0 2.0 6.0 325 279 A 564 CYS HBy A 564 CYS HA 1.0 2.0 4.8 326 280 A 564 CYS HBx A 564 CYS HA 1.0 1.8 3.6 327 281 A 564 CYS HA A 565 PRO HDx 1.0 1.8 3.8 328 282 A 564 CYS HBy A 562 PHE HE% 1.0 2.0 6.0 329 283 A 564 CYS HBy A 564 CYS HBx 1.0 1.4 2.4 330 284 A 564 CYS HBy A 596 HIS HE1 1.0 2.0 5.0 331 285 A 564 CYS HBx A 562 PHE HE% 1.0 2.0 4.6 332 286 A 565 PRO HBx A 565 PRO HBy 1.0 1.4 2.2 333 287 A 595 PHE HD% A 565 PRO HBx 1.0 1.9 6.0 334 288 A 595 PHE HE% A 565 PRO HBx 1.0 2.0 6.0 335 289 A 595 PHE HZ A 565 PRO HBx 1.0 2.0 6.0 336 290 A 565 PRO HBy A 565 PRO HA 1.0 1.8 3.6 337 291 A 595 PHE HE% A 565 PRO HBy 1.0 1.9 6.0 338 292 A 595 PHE HZ A 565 PRO HBy 1.0 1.9 6.0 339 293 A 583 VAL HG2% A 576 ASP HA 1.0 2.0 6.0 340 293 A 583 VAL HG1% A 576 ASP HA 1.0 2.0 6.0 341 294 A 565 PRO HDy A 595 PHE HA 1.0 1.9 4.7 342 295 A 562 PHE HE% A 565 PRO HDy 1.0 2.0 5.8 343 296 A 564 CYS HA A 565 PRO HDy 1.0 1.7 3.3 344 297 A 565 PRO HBx A 565 PRO HDy 1.0 2.0 5.6 345 298 A 565 PRO HDx A 565 PRO HDy 1.0 1.5 2.5 346 299 A 565 PRO HDy A 565 PRO HGx 1.0 1.8 3.4 347 300 A 595 PHE HD% A 565 PRO HDy 1.0 2.0 5.4 348 301 A 562 PHE HE% A 565 PRO HDx 1.0 2.0 6.0 349 302 A 565 PRO HDx A 565 PRO HBx 1.0 2.0 6.0 350 303 A 565 PRO HDx A 565 PRO HBy 1.0 2.0 6.0 351 304 A 565 PRO HDx A 565 PRO HGy 1.0 1.8 3.6 352 305 A 565 PRO HDx A 595 PHE HA 1.0 2.0 4.8 353 306 A 595 PHE HE% A 565 PRO HDx 1.0 2.0 6.0 354 307 A 565 PRO HBx A 565 PRO HGx 1.0 1.7 3.3 355 308 A 565 PRO HBy A 565 PRO HGx 1.0 1.9 4.3 356 309 A 565 PRO HDx A 565 PRO HGx 1.0 1.9 4.3 357 310 A 565 PRO HGx A 565 PRO HGy 1.0 1.4 2.2 358 311 A 595 PHE HD% A 565 PRO HGx 1.0 2.0 5.6 359 312 A 595 PHE HE% A 565 PRO HGx 1.0 1.8 4.2 360 313 A 565 PRO HBx A 565 PRO HGy 1.0 1.8 4.2 361 314 A 565 PRO HBy A 565 PRO HGy 1.0 1.7 3.3 362 315 A 565 PRO HDy A 565 PRO HGy 1.0 1.9 4.3 363 316 A 595 PHE HE% A 565 PRO HGy 1.0 1.9 4.5 364 317 A 566 ILE HB A 566 ILE HA 1.0 1.9 4.3 365 318 A 566 ILE HG1x A 566 ILE HA 1.0 1.8 4.0 366 319 A 566 ILE HG2% A 566 ILE HA 1.0 1.7 3.3 367 320 A 566 ILE HB A 566 ILE HG1x 1.0 2.0 5.2 368 321 A 566 ILE HB A 599 CYS HA 1.0 1.9 6.0 369 322 A 566 ILE HB A 599 CYS HBy 1.0 1.9 4.5 370 323 A 566 ILE HB A 599 CYS HBx 1.0 2.0 4.8 371 324 A 595 PHE HD% A 566 ILE HD1% 1.0 1.9 4.1 372 325 A 566 ILE HD1% A 600 TYR HBy 1.0 2.0 5.8 373 325 A 566 ILE HD1% A 600 TYR HBx 1.0 2.0 5.8 374 326 A 595 PHE HBy A 566 ILE HD1% 1.0 2.0 6.0 375 327 A 595 PHE HZ A 566 ILE HD1% 1.0 2.0 5.4 376 327 A 595 PHE HE% A 566 ILE HD1% 1.0 2.0 5.4 377 328 A 566 ILE HD1% A 566 ILE HA 1.0 2.0 4.8 378 329 A 566 ILE HB A 566 ILE HD1% 1.0 1.9 4.3 379 330 A 566 ILE HD1% A 566 ILE HG1y 1.0 1.8 3.4 380 331 A 566 ILE HG1x A 566 ILE HD1% 1.0 1.8 3.6 381 332 A 566 ILE HD1% A 599 CYS HA 1.0 2.0 6.0 382 333 A 566 ILE HD1% A 599 CYS HBy 1.0 1.8 3.8 383 334 A 566 ILE HD1% A 599 CYS HBx 1.0 2.0 4.8 384 335 A 600 TYR HA A 566 ILE HD1% 1.0 1.8 3.8 385 336 A 566 ILE HG1x A 566 ILE HG1y 1.0 1.5 2.5 386 337 A 566 ILE HB A 566 ILE HG2% 1.0 1.7 3.3 387 338 A 566 ILE HG2% A 599 CYS HA 1.0 2.0 5.6 388 339 A 566 ILE HG2% A 599 CYS HBy 1.0 1.7 3.3 389 340 A 566 ILE HG2% A 599 CYS HBx 1.0 2.0 6.0 390 341 A 567 CYS HA A 567 CYS HBx 1.0 1.8 3.4 391 342 A 567 CYS HA A 567 CYS HBy 1.0 1.7 3.3 392 343 A 567 CYS HBx A 567 CYS HBy 1.0 1.5 2.5 393 344 A 568 LYS HA A 568 LYS HGy 1.0 1.7 3.5 394 344 A 568 LYS HA A 568 LYS HGx 1.0 1.7 3.5 395 345 A 567 CYS HBy A 569 GLU HGx 1.0 1.9 4.5 396 345 A 567 CYS HBy A 569 GLU HGy 1.0 1.9 4.5 397 346 A 569 GLU HA A 569 GLU HGy 1.0 1.9 4.5 398 347 A 563 LYS HA A 570 THR HA 1.0 1.5 2.3 399 348 A 563 LYS HBy A 570 THR HA 1.0 1.9 4.7 400 348 A 563 LYS HBx A 570 THR HA 1.0 1.9 4.7 401 349 A 563 LYS HGy A 570 THR HA 1.0 1.9 4.3 402 350 A 570 THR HA A 570 THR HB 1.0 1.7 3.3 403 351 A 570 THR HA A 570 THR HG2% 1.0 1.6 2.8 404 352 A 570 THR HB A 570 THR HG2% 1.0 1.5 2.5 405 353 A 571 VAL HB A 562 PHE HD% 1.0 1.9 4.3 406 354 A 571 VAL HB A 571 VAL HA 1.0 1.8 4.0 407 355 A 571 VAL HB A 571 VAL HG1% 1.0 1.6 2.8 408 356 A 571 VAL HB A 571 VAL HG2% 1.0 1.6 2.8 409 357 A 571 VAL HG1% A 562 PHE HD% 1.0 1.8 3.8 410 358 A 571 VAL HG1% A 562 PHE HE% 1.0 1.7 3.3 411 359 A 571 VAL HG1% A 596 HIS HD2 1.0 2.0 5.8 412 360 A 570 THR HA A 571 VAL HG2% 1.0 2.0 5.2 413 361 A 571 VAL HG2% A 596 HIS HA 1.0 2.0 5.8 414 362 A 571 VAL HG2% A 562 PHE HD% 1.0 1.9 4.1 415 363 A 571 VAL HG2% A 562 PHE HE% 1.0 1.9 3.9 416 364 A 563 LYS HA A 571 VAL HG2% 1.0 1.9 5.5 417 365 A 564 CYS HBy A 571 VAL HG2% 1.0 2.0 5.2 418 366 A 564 CYS HBx A 571 VAL HG2% 1.0 1.8 3.8 419 367 A 571 VAL HA A 571 VAL HG2% 1.0 1.6 2.8 420 368 A 571 VAL HG1% A 571 VAL HG2% 1.0 1.6 2.6 421 369 A 571 VAL HG2% A 596 HIS HD2 1.0 1.9 4.5 422 370 A 571 VAL HG2% A 596 HIS HE1 1.0 1.8 3.6 423 371 A 572 THR HA A 572 THR HB 1.0 1.6 2.8 424 372 A 572 THR HB A 572 THR HG2% 1.0 1.6 2.8 425 373 A 572 THR HA A 572 THR HG2% 1.0 1.6 3.0 426 374 A 553 VAL HG2% A 573 GLY HAx 1.0 1.8 4.0 427 375 A 573 GLY HAx A 573 GLY HAy 1.0 1.5 2.5 428 376 A 573 GLY HAy A 584 TRP HD1 1.0 1.9 3.9 429 377 A 553 VAL HG2% A 573 GLY HAy 1.0 2.0 5.4 430 378 A 574 VAL HA A 574 VAL HG2% 1.0 1.7 3.5 431 378 A 574 VAL HA A 574 VAL HG1% 1.0 1.7 3.5 432 379 A 574 VAL HA A 582 TRP HE3 1.0 1.9 3.9 433 380 A 574 VAL HA A 582 TRP HH2 1.0 2.0 5.8 434 381 A 574 VAL HA A 582 TRP HZ3 1.0 1.7 3.5 435 382 A 574 VAL HA A 574 VAL HB 1.0 1.7 3.1 436 383 A 574 VAL HA A 574 VAL HG1% 1.0 1.8 3.4 437 384 A 574 VAL HA A 574 VAL HG2% 1.0 1.7 3.3 438 385 A 575 TYR HBx A 575 TYR HA 1.0 1.9 4.1 439 386 A 575 TYR HBy A 575 TYR HA 1.0 1.7 3.3 440 387 A 575 TYR HBx A 575 TYR HBy 1.0 1.4 2.4 441 388 A 575 TYR HBx A 575 TYR HE% 1.0 2.0 6.0 442 389 A 575 TYR HBx A 582 TRP HZ2 1.0 2.0 6.0 443 390 A 575 TYR HBy A 575 TYR HE% 1.0 2.0 6.0 444 391 A 575 TYR HBy A 582 TRP HZ2 1.0 2.0 5.6 445 392 A 582 TRP HZ2 A 575 TYR HD% 1.0 2.0 5.8 446 393 A 577 GLU HA A 575 TYR HE% 1.0 1.7 3.3 447 394 A 576 ASP HA A 576 ASP HBx 1.0 1.8 3.6 448 395 A 576 ASP HBx A 576 ASP HBy 1.0 1.4 2.2 449 396 A 576 ASP HA A 576 ASP HBy 1.0 1.6 3.0 450 397 A 577 GLU HGx A 575 TYR HD% 1.0 1.7 3.5 451 397 A 577 GLU HGy A 575 TYR HD% 1.0 1.7 3.5 452 398 A 577 GLU HGx A 575 TYR HE% 1.0 1.7 3.3 453 398 A 577 GLU HGy A 575 TYR HE% 1.0 1.7 3.3 454 399 A 577 GLU HGx A 577 GLU HA 1.0 1.8 3.4 455 399 A 577 GLU HGy A 577 GLU HA 1.0 1.8 3.4 456 400 A 578 GLU HA A 578 GLU HGx 1.0 1.8 3.4 457 400 A 578 GLU HA A 578 GLU HGy 1.0 1.8 3.4 458 401 A 579 SER HA A 579 SER HBx 1.0 1.7 3.1 459 402 A 579 SER HA A 579 SER HBy 1.0 1.7 3.1 460 403 A 580 GLY HAx A 575 TYR HE% 1.0 1.9 5.5 461 404 A 580 GLY HAx A 580 GLY HAy 1.0 1.5 2.3 462 405 A 580 GLY HAy A 575 TYR HE% 1.0 2.0 4.8 463 406 A 581 GLU HA A 575 TYR HE% 1.0 1.9 3.7 464 407 A 581 GLU HA A 581 GLU HBx 1.0 1.7 2.9 465 408 A 581 GLU HBy A 581 GLU HA 1.0 1.8 3.8 466 409 A 589 GLU HA A 589 GLU HGx 1.0 1.9 4.1 467 410 A 575 TYR HA A 582 TRP HA 1.0 1.5 2.5 468 411 A 582 TRP HA A 575 TYR HD% 1.0 1.9 3.9 469 412 A 582 TRP HBx A 582 TRP HA 1.0 1.7 3.1 470 413 A 582 TRP HBy A 582 TRP HA 1.0 1.9 4.1 471 414 A 582 TRP HA A 582 TRP HD1 1.0 2.0 5.6 472 415 A 582 TRP HA A 582 TRP HE3 1.0 1.8 4.2 473 416 A 553 VAL HG2% A 582 TRP HBx 1.0 1.7 3.1 474 417 A 582 TRP HBx A 582 TRP HBy 1.0 1.4 2.2 475 418 A 582 TRP HBx A 582 TRP HD1 1.0 1.9 4.9 476 419 A 553 VAL HG1% A 582 TRP HBy 1.0 1.9 6.0 477 420 A 553 VAL HG2% A 582 TRP HBy 1.0 1.9 4.7 478 421 A 582 TRP HBy A 582 TRP HD1 1.0 1.7 3.3 479 422 A 575 TYR HA A 582 TRP HE3 1.0 2.0 4.8 480 423 A 552 VAL HA A 583 VAL HA 1.0 1.6 2.8 481 424 A 552 VAL HB A 583 VAL HA 1.0 0.0 6.0 482 425 A 552 VAL HG2% A 583 VAL HA 1.0 1.9 5.3 483 425 A 552 VAL HG1% A 583 VAL HA 1.0 1.9 5.3 484 426 A 553 VAL HG2% A 583 VAL HA 1.0 1.8 3.4 485 427 A 583 VAL HA A 583 VAL HB 1.0 1.7 2.9 486 428 A 550 TYR HE% A 583 VAL HB 1.0 1.9 5.5 487 429 A 583 VAL HB A 550 TYR HA 1.0 2.0 6.0 488 430 A 583 VAL HB A 585 LYS HA 1.0 2.0 5.4 489 431 A 552 VAL HA A 583 VAL HB 1.0 2.0 5.6 490 432 A 550 TYR HBx A 583 VAL HB 1.0 1.9 4.3 491 432 A 550 TYR HBy A 583 VAL HB 1.0 1.9 4.3 492 433 A 550 TYR HBy A 583 VAL HB 1.0 1.9 3.9 493 434 A 586 ASN HBx A 598 THR HB 1.0 1.9 4.3 494 435 A 583 VAL HA A 583 VAL HG1% 1.0 1.7 2.9 495 436 A 583 VAL HG1% A 583 VAL HB 1.0 1.6 2.6 496 437 A 583 VAL HG2% A 585 LYS HA 1.0 0.0 6.0 497 438 A 583 VAL HG2% A 576 ASP HBy 1.0 1.7 3.1 498 439 A 583 VAL HG2% A 550 TYR HA 1.0 2.0 6.0 499 440 A 583 VAL HG2% A 550 TYR HD% 1.0 1.9 5.3 500 441 A 583 VAL HG2% A 550 TYR HE% 1.0 2.0 6.0 501 442 A 583 VAL HA A 583 VAL HG2% 1.0 1.9 4.3 502 443 A 583 VAL HG2% A 583 VAL HB 1.0 1.6 2.6 503 444 A 573 GLY HAx A 584 TRP HA 1.0 2.0 5.6 504 445 A 584 TRP HBx A 584 TRP HA 1.0 1.9 3.7 505 446 A 584 TRP HA A 584 TRP HD1 1.0 1.5 2.7 506 447 A 584 TRP HBx A 551 VAL HB 1.0 2.0 5.6 507 448 A 571 VAL HG1% A 584 TRP HBx 1.0 0.0 6.0 508 449 A 584 TRP HBx A 584 TRP HBy 1.0 1.6 2.6 509 450 A 587 THR HG2% A 584 TRP HBx 1.0 2.0 4.6 510 451 A 571 VAL HG1% A 584 TRP HBy 1.0 2.0 5.2 511 452 A 584 TRP HA A 584 TRP HBy 1.0 1.8 4.0 512 453 A 584 TRP HBy A 587 THR HB 1.0 1.9 4.5 513 454 A 587 THR HG2% A 584 TRP HBy 1.0 2.0 5.4 514 455 A 553 VAL HG1% A 584 TRP HH2 1.0 0.0 6.0 515 456 A 554 PRO HDy A 584 TRP HH2 1.0 1.9 4.7 516 457 A 585 LYS HBx A 585 LYS HA 1.0 1.7 3.5 517 458 A 585 LYS HA A 585 LYS HBy 1.0 1.9 3.9 518 459 A 586 ASN HA A 586 ASN HBx 1.0 1.6 3.0 519 460 A 586 ASN HA A 586 ASN HBy 1.0 1.9 4.1 520 461 A 586 ASN HBx A 586 ASN HBy 1.0 1.5 2.3 521 462 A 586 ASN HBx A 596 HIS HD2 1.0 2.0 5.4 522 463 A 586 ASN HBy A 596 HIS HD2 1.0 1.9 4.1 523 464 A 586 ASN HBy A 598 THR HB 1.0 2.0 6.0 524 465 A 596 HIS HA A 587 THR HA 1.0 1.6 2.8 525 466 A 596 HIS HD2 A 587 THR HA 1.0 2.0 5.8 526 467 A 588 ILE HG2% A 587 THR HA 1.0 2.0 6.0 527 468 A 587 THR HA A 596 HIS HBx 1.0 2.0 6.0 528 469 A 587 THR HB A 587 THR HA 1.0 1.8 4.0 529 470 A 550 TYR HA A 587 THR HB 1.0 1.8 4.0 530 471 A 562 PHE HE% A 587 THR HB 1.0 2.0 6.0 531 472 A 596 HIS HA A 587 THR HB 1.0 2.0 6.0 532 473 A 551 VAL HB A 587 THR HB 1.0 1.9 4.5 533 474 A 584 TRP HBx A 587 THR HB 1.0 1.8 3.6 534 475 A 587 THR HG2% A 587 THR HA 1.0 1.6 3.0 535 476 A 587 THR HG2% A 587 THR HB 1.0 1.6 2.8 536 477 A 588 ILE HG1x A 588 ILE HA 1.0 1.9 4.5 537 478 A 588 ILE HG1y A 588 ILE HA 1.0 2.0 5.0 538 479 A 593 LYS HB3 A 595 PHE HD% 1.0 2.0 6.0 539 479 A 593 LYS HB2 A 595 PHE HD% 1.0 2.0 6.0 540 480 A 595 PHE HZ A 593 LYS HB3 1.0 1.9 4.1 541 480 A 595 PHE HZ A 593 LYS HB2 1.0 1.9 4.1 542 480 A 595 PHE HE% A 593 LYS HB3 1.0 1.9 4.1 543 480 A 595 PHE HE% A 593 LYS HB2 1.0 1.9 4.1 544 481 A 592 GLY HA2 A 589 GLU HGx 1.0 2.0 4.6 545 482 A 593 LYS HB2 A 593 LYS HG2 1.0 1.8 3.8 546 482 A 593 LYS HB3 A 593 LYS HG2 1.0 1.8 3.8 547 483 A 593 LYS HB3 A 593 LYS HG3 1.0 1.7 3.3 548 483 A 593 LYS HB2 A 593 LYS HG3 1.0 1.7 3.3 549 484 A 589 GLU HGy A 589 GLU HGx 1.0 1.3 2.2 550 485 A 589 GLU HGx A 594 TYR HD% 1.0 2.0 5.4 551 486 A 589 GLU HGy A 594 TYR HE% 1.0 2.0 4.8 552 487 A 590 VAL HB A 595 PHE HD% 1.0 1.8 3.8 553 488 A 589 GLU HGy A 593 LYS HA 1.0 0.0 6.0 554 489 A 589 GLU HGy A 593 LYS HG3 1.0 0.0 6.0 555 490 A 589 GLU HGy A 589 GLU HA 1.0 1.7 3.3 556 491 A 589 GLU HGy A 594 TYR HD% 1.0 2.0 5.4 557 492 A 590 VAL HB A 590 VAL HA 1.0 1.8 4.0 558 493 A 590 VAL HA A 590 VAL HG1% 1.0 1.6 3.0 559 494 A 590 VAL HG2% A 590 VAL HA 1.0 1.7 3.3 560 495 A 590 VAL HB A 590 VAL HG1% 1.0 1.6 2.8 561 496 A 591 ASN HA A 591 ASN HBy 1.0 1.7 2.9 562 497 A 590 VAL HA A 591 ASN HBx 1.0 2.0 6.0 563 498 A 590 VAL HG1% A 591 ASN HBx 1.0 1.9 4.9 564 499 A 591 ASN HA A 591 ASN HBx 1.0 1.7 3.1 565 500 A 591 ASN HBy A 591 ASN HBx 1.0 1.3 2.2 566 501 A 590 VAL HG1% A 591 ASN HBy 1.0 1.9 4.1 567 502 A 592 GLY HA3 A 592 GLY HA2 1.0 1.4 2.2 568 503 A 593 LYS HA A 593 LYS HB2 1.0 1.7 3.1 569 503 A 593 LYS HA A 593 LYS HB3 1.0 1.7 3.1 570 504 A 593 LYS HA A 593 LYS HD3 1.0 2.0 4.6 571 504 A 593 LYS HA A 593 LYS HD2 1.0 2.0 4.6 572 505 A 594 TYR HA A 594 TYR HD% 1.0 1.8 3.8 573 506 A 589 GLU HGy A 594 TYR HD% 1.0 1.9 4.5 574 506 A 589 GLU HBy A 594 TYR HD% 1.0 1.9 4.5 575 507 A 562 PHE HE% A 595 PHE HA 1.0 1.9 3.9 576 508 A 595 PHE HBx A 595 PHE HA 1.0 1.9 4.1 577 509 A 595 PHE HBy A 595 PHE HA 1.0 2.0 4.8 578 510 A 595 PHE HBx A 595 PHE HBy 1.0 1.5 2.7 579 511 A 595 PHE HBx A 595 PHE HD% 1.0 1.9 4.5 580 512 A 595 PHE HD% A 565 PRO HGy 1.0 2.0 6.0 581 513 A 596 HIS HA A 596 HIS HBx 1.0 1.8 3.6 582 514 A 596 HIS HBy A 596 HIS HBx 1.0 1.5 2.5 583 515 A 596 HIS HD2 A 596 HIS HBx 1.0 2.0 5.0 584 516 A 596 HIS HBy A 596 HIS HD2 1.0 2.0 6.0 585 517 A 598 THR HA A 546 ILE HG21 1.0 1.8 3.4 586 518 A 586 ASN HBy A 598 THR HA 1.0 1.8 6.0 587 519 A 598 THR HB A 598 THR HA 1.0 1.7 3.1 588 520 A 598 THR HG2% A 586 ASN HBx 1.0 2.0 5.4 589 521 A 598 THR HG2% A 546 ILE HG21 1.0 1.8 3.6 590 522 A 598 THR HG2% A 598 THR HA 1.0 1.8 3.4 591 523 A 598 THR HG2% A 598 THR HB 1.0 1.5 2.5 592 524 A 598 THR HG2% A 599 CYS HBy 1.0 2.0 6.0 593 525 A 599 CYS HBy A 596 HIS HBx 1.0 1.9 6.0 594 526 A 596 HIS HBy A 599 CYS HBy 1.0 2.0 6.0 595 527 A 599 CYS HA A 599 CYS HBy 1.0 1.8 3.6 596 528 A 599 CYS HBy A 599 CYS HBx 1.0 1.6 2.6 597 529 A 599 CYS HBx A 596 HIS HBx 1.0 1.9 4.5 598 530 A 596 HIS HBy A 599 CYS HBx 1.0 1.7 3.1 599 531 A 599 CYS HA A 599 CYS HBx 1.0 1.9 4.3 600 532 A 600 TYR HA A 600 TYR HBy 1.0 1.9 4.1 601 532 A 600 TYR HA A 600 TYR HBx 1.0 1.9 4.1 602 533 A 601 HIS HD2 A 601 HIS HBx 1.0 2.0 5.0 603 534 A 601 HIS HD2 A 601 HIS HBy 1.0 2.0 5.0 604 535 A 602 GLU HA A 602 GLU HBx 1.0 1.4 2.4 605 535 A 602 GLU HA A 602 GLU HBy 1.0 1.4 2.4 606 536 A 602 GLU HGx A 602 GLU HA 1.0 1.9 4.1 607 536 A 602 GLU HGy A 602 GLU HA 1.0 1.9 4.1 608 537 A 552 VAL HG1% A 582 TRP H 1.0 1.9 4.3 609 538 A 586 ASN H A 550 TYR HA 1.0 2.0 6.0 610 539 A 597 SER HBx A 587 THR HA 1.0 1.9 4.9 611 539 A 597 SER HBy A 587 THR HA 1.0 1.9 4.9 612 540 A 597 SER H A 587 THR HA 1.0 1.7 3.3 613 541 A 597 SER H A 596 HIS H 1.0 1.9 6.0 614 542 A 570 THR HA A 571 VAL H 1.0 1.6 2.6 615 543 A 588 ILE H A 588 ILE HD1% 1.0 1.6 6.0 616 544 A 595 PHE HA A 594 TYR HD% 1.0 0.0 6.0 617 545 A 589 GLU H A 594 TYR HD% 1.0 2.0 6.0 618 546 A 599 CYS H A 596 HIS H 1.0 1.8 6.0 619 547 A 562 PHE HE% A 594 TYR HD% 1.0 2.0 6.0 620 548 A 571 VAL H A 571 VAL HG2% 1.0 1.7 3.3 621 549 A 564 CYS H A 571 VAL HG2% 1.0 2.0 4.6 622 550 A 566 ILE H A 595 PHE HZ 1.0 0.0 6.0 623 550 A 566 ILE H A 595 PHE HE% 1.0 0.0 6.0 624 551 A 564 CYS H A 567 CYS H 1.0 1.9 6.0 625 552 A 553 VAL H A 583 VAL H 1.0 2.0 6.0 626 553 A 553 VAL H A 584 TRP H 1.0 2.0 5.2 627 554 A 551 VAL HB A 594 TYR HD% 1.0 2.0 5.8 628 555 A 570 THR H A 570 THR HG2% 1.0 1.9 5.5 629 556 A 587 THR HG2% A 595 PHE H 1.0 1.9 4.1 630 557 A 589 GLU H A 590 VAL HG2% 1.0 2.0 6.0 631 558 A 551 VAL H A 583 VAL HG2% 1.0 2.0 6.0 632 558 A 551 VAL H A 583 VAL HG1% 1.0 2.0 6.0 633 559 A 597 SER H A 588 ILE HB 1.0 1.9 4.9 634 560 A 566 ILE H A 566 ILE HG1y 1.0 1.8 3.4 635 561 A 566 ILE H A 565 PRO HGy 1.0 2.0 6.0 636 562 A 551 VAL H A 551 VAL HB 1.0 1.8 3.8 637 563 A 569 GLU H A 569 GLU HGy 1.0 1.9 4.3 638 563 A 569 GLU H A 569 GLU HGx 1.0 1.9 4.3 639 563 A 569 GLU H A 569 GLU HBx 1.0 1.9 4.3 640 564 A 553 VAL H A 582 TRP HBx 1.0 2.0 5.8 641 565 A 576 ASP HBy A 577 GLU H 1.0 2.0 6.0 642 566 A 600 TYR H A 600 TYR HBx 1.0 1.8 3.4 643 566 A 600 TYR H A 600 TYR HBy 1.0 1.8 3.4 644 567 A 551 VAL H A 584 TRP HBx 1.0 2.0 5.8 645 568 A 553 VAL H A 582 TRP HBy 1.0 1.9 4.9 646 569 A 587 THR H A 550 TYR HBx 1.0 2.0 6.0 647 569 A 587 THR H A 550 TYR HBy 1.0 2.0 6.0 648 570 A 587 THR H A 586 ASN HBy 1.0 2.0 6.0 649 571 A 551 VAL H A 587 THR HB 1.0 1.9 4.3 650 572 A 579 SER HBy A 580 GLY H 1.0 1.9 6.0 651 573 A 587 THR H A 548 GLY HAy 1.0 0.0 6.0 652 573 A 587 THR H A 548 GLY HAx 1.0 0.0 6.0 653 574 A 551 VAL H A 583 VAL HA 1.0 1.9 6.0 654 575 A 583 VAL H A 575 TYR HD% 1.0 1.8 6.0 655 576 A 551 VAL H A 550 TYR HD% 1.0 1.8 4.0 656 577 A 550 TYR H A 550 TYR HD% 1.0 1.8 3.6 657 578 A 562 PHE H A 584 TRP HZ2 1.0 2.0 6.0 658 579 A 550 TYR H A 549 LYS H 1.0 1.9 6.0 659 580 A 587 THR H A 596 HIS HD2 1.0 2.0 6.0 660 581 A 597 SER H A 596 HIS HD2 1.0 1.9 6.0 661 582 A 577 GLU H A 575 TYR HE% 1.0 2.0 6.0 662 583 A 588 ILE H A 595 PHE H 1.0 1.9 4.1 663 584 A 588 ILE H A 589 GLU H 1.0 1.9 6.0 664 585 A 563 LYS H A 571 VAL H 1.0 2.0 6.0 665 586 A 564 CYS H A 571 VAL H 1.0 2.0 5.6 666 587 A 552 VAL H A 553 VAL H 1.0 2.0 6.0 667 588 A 595 PHE H A 596 HIS H 1.0 2.0 6.0 668 589 A 573 GLY H A 584 TRP HZ2 1.0 1.9 6.0 669 590 A 595 PHE HD% A 596 HIS H 1.0 2.0 6.0 670 591 A 575 TYR H A 582 TRP HE3 1.0 1.9 4.7 671 592 A 599 CYS H A 600 TYR H 1.0 1.8 4.2 672 593 A 587 THR H A 587 THR HA 1.0 1.9 4.3 673 594 A 593 LYS H A 594 TYR HD% 1.0 1.9 6.0 674 595 A 582 TRP HE3 A 582 TRP HZ2 1.0 2.0 6.0 675 595 A 582 TRP HZ3 A 582 TRP HZ2 1.0 2.0 6.0 676 596 A 576 ASP HA A 581 GLU H 1.0 2.0 6.0 677 597 A 564 CYS HBx A 562 PHE HD% 1.0 2.0 5.0 678 597 A 564 CYS HBx A 562 PHE HZ 1.0 2.0 5.0 679 598 A 599 CYS H A 599 CYS HBx 1.0 1.7 3.5 680 599 A 599 CYS H A 596 HIS HBx 1.0 1.8 3.4 681 600 A 581 GLU H A 580 GLY HAy 1.0 1.9 4.5 682 601 A 560 MET HBx A 582 TRP HE3 1.0 2.0 6.0 683 602 A 583 VAL HB A 550 TYR HD% 1.0 1.7 3.1 684 603 A 599 CYS H A 566 ILE HD1% 1.0 1.9 6.0 685 604 A 598 THR HG2% A 599 CYS H 1.0 0.0 6.0 686 605 A 594 TYR HBx A 562 PHE HE% 1.0 1.9 4.5 687 605 A 594 TYR HBy A 562 PHE HE% 1.0 1.9 4.5 688 606 A 561 ALA HA A 570 THR HG2% 1.0 2.0 6.0 689 607 A 561 ALA HA A 571 VAL HB 1.0 2.0 6.0 690 608 A 561 ALA HA A 571 VAL HG1% 1.0 2.0 6.0 691 609 A 571 VAL HB A 562 PHE HZ 1.0 1.9 4.3 692 609 A 571 VAL HB A 562 PHE HD% 1.0 1.9 4.3 693 610 A 590 VAL HG2% A 595 PHE HD% 1.0 1.9 4.5 694 611 A 595 PHE HZ A 565 PRO HGx 1.0 1.9 4.1 695 611 A 595 PHE HE% A 565 PRO HGx 1.0 1.9 4.1 696 612 A 590 VAL HG2% A 595 PHE HZ 1.0 2.0 6.0 697 612 A 590 VAL HG2% A 595 PHE HE% 1.0 2.0 6.0 698 613 A 599 CYS H A 596 HIS HA 1.0 2.0 6.0 699 614 A 582 TRP HZ3 A 575 TYR HD% 1.0 1.9 6.0 700 614 A 582 TRP HE3 A 575 TYR HD% 1.0 1.9 6.0 701 615 A 600 TYR H A 600 TYR HD% 1.0 1.9 6.0 702 616 A 561 ALA HA A 571 VAL H 1.0 2.0 6.0 703 617 A 590 VAL HG2% A 588 ILE HD1% 1.0 1.8 3.8 704 618 A 550 TYR HBy A 546 ILE HD11 1.0 2.0 5.4 705 618 A 550 TYR HBx A 546 ILE HD11 1.0 2.0 5.4 706 619 A 586 ASN HBy A 546 ILE HD11 1.0 2.0 6.0 707 620 A 586 ASN HBx A 546 ILE HD11 1.0 2.0 6.0 708 621 A 546 ILE HA A 546 ILE HD11 1.0 2.0 4.6 709 622 A 546 ILE HD11 A 598 THR HA 1.0 0.0 6.0 710 623 A 596 HIS HA A 562 PHE HZ 1.0 2.0 4.8 711 624 A 584 TRP HBx A 562 PHE HE% 1.0 0.0 6.0 712 625 A 552 VAL HA A 550 TYR HE% 1.0 1.9 4.9 713 626 A 571 VAL H A 562 PHE HE% 1.0 1.9 6.0 714 627 A 585 LYS HDy A 550 TYR HA 1.0 2.0 6.0 715 627 A 585 LYS HDx A 550 TYR HA 1.0 2.0 6.0 716 628 A 595 PHE HE% A 593 LYS HD3 1.0 1.9 4.7 717 628 A 595 PHE HE% A 593 LYS HD2 1.0 1.9 4.7 718 628 A 595 PHE HZ A 593 LYS HD2 1.0 1.9 4.7 719 628 A 595 PHE HZ A 593 LYS HD3 1.0 1.9 4.7 720 629 A 579 SER HA A 580 GLY H 1.0 1.9 4.7 721 630 A 546 ILE HD11 A 546 ILE HG1y 1.0 1.7 3.1 722 630 A 546 ILE HD11 A 546 ILE HG1x 1.0 1.7 3.1 723 631 A 553 VAL HG1% A 582 TRP HBx 1.0 2.0 5.0 724 632 A 552 VAL HG1% A 553 VAL HG2% 1.0 2.0 6.0 725 632 A 552 VAL HG2% A 553 VAL HG2% 1.0 2.0 6.0 726 633 A 590 VAL HG2% A 588 ILE HG1y 1.0 1.9 4.3 727 634 A 570 THR HG2% A 571 VAL HG2% 1.0 2.0 6.0 728 635 A 571 VAL HG2% A 562 PHE HD% 1.0 1.8 3.8 729 635 A 571 VAL HG2% A 562 PHE HZ 1.0 1.8 3.8 730 636 A 582 TRP H A 575 TYR HD% 1.0 2.0 5.2 731 637 A 582 TRP HH2 A 575 TYR HD% 1.0 0.0 6.0 732 637 A 582 TRP HZ3 A 575 TYR HD% 1.0 0.0 6.0 733 638 A 583 VAL HG2% A 575 TYR HD% 1.0 0.0 6.0 734 638 A 583 VAL HG1% A 575 TYR HD% 1.0 0.0 6.0 735 639 A 582 TRP H A 575 TYR HE% 1.0 2.0 6.0 736 640 A 586 ASN H A 586 ASN HBy 1.0 2.0 6.0 737 641 A 550 TYR HBy A 586 ASN H 1.0 2.0 6.0 738 641 A 550 TYR HBx A 586 ASN H 1.0 2.0 6.0 739 642 A 552 VAL HA A 584 TRP HE1 1.0 1.9 4.9 740 642 A 552 VAL HA A 584 TRP H 1.0 1.9 4.9 741 643 A 590 VAL H A 594 TYR HD% 1.0 2.0 6.0 742 644 A 595 PHE HE% A 595 PHE HD% 1.0 1.4 2.4 743 645 A 599 CYS HBy A 596 HIS H 1.0 1.8 6.0 744 646 A 550 TYR HBy A 546 ILE HD11 1.0 2.0 6.0 745 647 A 546 ILE HD11 A 546 ILE HG21 1.0 1.7 3.3 746 648 A 549 LYS H A 547 ARG HBy 1.0 2.0 5.2 747 648 A 549 LYS H A 547 ARG HBx 1.0 2.0 5.2 748 649 A 548 GLY HAy A 548 GLY H 1.0 2.0 5.0 749 649 A 548 GLY HAx A 548 GLY H 1.0 2.0 5.0 750 650 A 548 GLY HAy A 549 LYS H 1.0 2.0 6.0 751 650 A 548 GLY HAx A 549 LYS H 1.0 2.0 6.0 752 651 A 549 LYS HA A 549 LYS H 1.0 2.0 5.0 753 652 A 550 TYR H A 550 TYR HA 1.0 1.9 4.3 754 653 A 550 TYR H A 550 TYR HBx 1.0 1.9 4.3 755 654 A 550 TYR H A 550 TYR HBy 1.0 2.0 5.6 756 655 A 550 TYR HBy A 550 TYR HA 1.0 1.8 3.4 757 656 A 550 TYR HA A 550 TYR HD% 1.0 2.0 5.2 758 657 A 551 VAL H A 550 TYR HA 1.0 1.7 3.1 759 658 A 584 TRP H A 550 TYR HA 1.0 2.0 6.0 760 659 A 551 VAL H A 550 TYR HBx 1.0 1.8 3.6 761 659 A 551 VAL H A 550 TYR HBy 1.0 1.8 3.6 762 660 A 550 TYR HBx A 584 TRP H 1.0 2.0 5.2 763 660 A 550 TYR HBy A 584 TRP H 1.0 2.0 5.2 764 661 A 550 TYR HBx A 550 TYR HD% 1.0 1.8 3.4 765 662 A 550 TYR HBy A 550 TYR HD% 1.0 1.7 3.3 766 663 A 550 TYR HE% A 550 TYR HD% 1.0 1.4 2.2 767 664 A 552 VAL H A 550 TYR HD% 1.0 2.0 5.8 768 665 A 584 TRP H A 550 TYR HD% 1.0 1.9 4.5 769 666 A 550 TYR HBx A 550 TYR HE% 1.0 1.9 6.0 770 667 A 550 TYR HBy A 550 TYR HE% 1.0 1.8 6.0 771 668 A 552 VAL H A 550 TYR HE% 1.0 2.0 6.0 772 669 A 551 VAL H A 550 TYR HBx 1.0 2.0 5.8 773 670 A 551 VAL H A 550 TYR HBy 1.0 0.0 6.0 774 671 A 552 VAL H A 551 VAL HA 1.0 1.6 2.6 775 672 A 552 VAL H A 551 VAL HB 1.0 2.0 5.0 776 673 A 588 ILE H A 551 VAL HG2% 1.0 2.0 5.8 777 674 A 552 VAL H A 552 VAL HA 1.0 1.9 3.9 778 675 A 552 VAL HA A 553 VAL HG1% 1.0 1.7 6.0 779 676 A 552 VAL HA A 553 VAL HG2% 1.0 2.0 6.0 780 677 A 552 VAL HG2% A 550 TYR HD% 1.0 1.9 4.3 781 677 A 552 VAL HG1% A 550 TYR HD% 1.0 1.9 4.3 782 678 A 552 VAL HG2% A 550 TYR HE% 1.0 1.7 3.1 783 678 A 552 VAL HG1% A 550 TYR HE% 1.0 1.7 3.1 784 679 A 552 VAL H A 552 VAL HG1% 1.0 1.9 4.3 785 680 A 552 VAL H A 552 VAL HG2% 1.0 1.7 3.3 786 681 A 552 VAL HG2% A 584 TRP H 1.0 2.0 6.0 787 682 A 553 VAL HA A 553 VAL HG1% 1.0 1.8 3.4 788 683 A 553 VAL HA A 553 VAL HG2% 1.0 1.7 3.5 789 684 A 553 VAL HG2% A 573 GLY H 1.0 1.9 5.3 790 685 A 553 VAL HG2% A 582 TRP H 1.0 1.9 6.0 791 686 A 553 VAL HG2% A 584 TRP HD1 1.0 1.8 3.8 792 687 A 553 VAL HG2% A 584 TRP HE1 1.0 1.9 4.1 793 688 A 553 VAL HG1% A 554 PRO HGx 1.0 1.9 6.0 794 689 A 553 VAL HG2% A 554 PRO HGx 1.0 1.5 6.0 795 690 A 556 THR HA A 557 SER H 1.0 2.0 6.0 796 691 A 560 MET HA A 584 TRP HE1 1.0 2.0 6.0 797 692 A 584 TRP HE1 A 560 MET HBy 1.0 2.0 5.2 798 693 A 553 VAL HG2% A 560 MET HBx 1.0 2.0 6.0 799 694 A 560 MET HBx A 584 TRP HE1 1.0 2.0 6.0 800 695 A 560 MET HBx A 584 TRP HZ2 1.0 2.0 6.0 801 696 A 560 MET HGx A 584 TRP HZ2 1.0 2.0 6.0 802 697 A 561 ALA H A 584 TRP HE1 1.0 2.0 6.0 803 698 A 561 ALA H A 584 TRP HH2 1.0 2.0 6.0 804 699 A 561 ALA H A 584 TRP HZ2 1.0 1.9 4.1 805 700 A 561 ALA HA A 584 TRP HE1 1.0 1.8 3.6 806 701 A 561 ALA HA A 584 TRP HH2 1.0 2.0 6.0 807 702 A 561 ALA HB% A 584 TRP HZ2 1.0 2.0 6.0 808 703 A 562 PHE H A 562 PHE HD% 1.0 1.9 4.3 809 704 A 562 PHE H A 562 PHE HE% 1.0 1.9 6.0 810 705 A 562 PHE H A 571 VAL H 1.0 1.8 3.6 811 706 A 562 PHE H A 571 VAL HB 1.0 1.9 4.1 812 707 A 562 PHE H A 562 PHE HA 1.0 2.0 5.2 813 708 A 561 ALA HA A 562 PHE HD% 1.0 2.0 5.4 814 709 A 562 PHE HE% A 596 HIS H 1.0 2.0 5.6 815 710 A 564 CYS HBx A 596 HIS H 1.0 2.0 4.6 816 711 A 595 PHE HD% A 565 PRO HBy 1.0 1.9 6.0 817 712 A 595 PHE HD% A 565 PRO HDx 1.0 1.8 3.4 818 713 A 566 ILE H A 566 ILE HA 1.0 1.8 3.6 819 714 A 567 CYS H A 566 ILE HA 1.0 2.0 6.0 820 715 A 595 PHE HE% A 566 ILE HD1% 1.0 2.0 5.8 821 716 A 566 ILE HD1% A 596 HIS H 1.0 2.0 5.8 822 717 A 568 LYS H A 567 CYS HBx 1.0 1.9 6.0 823 718 A 568 LYS H A 567 CYS HBy 1.0 1.9 6.0 824 719 A 568 LYS H A 568 LYS HBx 1.0 2.0 5.2 825 720 A 568 LYS H A 568 LYS HBy 1.0 2.0 4.6 826 721 A 568 LYS H A 568 LYS HDx 1.0 2.0 6.0 827 722 A 568 LYS H A 568 LYS HDy 1.0 2.0 6.0 828 723 A 568 LYS H A 568 LYS HGy 1.0 2.0 5.0 829 724 A 568 LYS H A 568 LYS HGx 1.0 2.0 5.2 830 725 A 569 GLU H A 567 CYS H 1.0 2.0 6.0 831 726 A 570 THR HA A 570 THR H 1.0 1.8 3.8 832 727 A 570 THR HG2% A 571 VAL HB 1.0 2.0 6.0 833 728 A 571 VAL H A 571 VAL HA 1.0 1.8 3.6 834 729 A 571 VAL HG1% A 571 VAL HA 1.0 1.7 3.1 835 730 A 571 VAL HB A 562 PHE HE% 1.0 1.9 3.9 836 731 A 571 VAL HG1% A 596 HIS HA 1.0 2.0 6.0 837 732 A 571 VAL HG2% A 596 HIS H 1.0 2.0 6.0 838 733 A 584 TRP HE1 A 572 THR H 1.0 0.0 6.0 839 734 A 561 ALA HA A 572 THR HA 1.0 1.7 3.5 840 735 A 584 TRP HE1 A 572 THR HA 1.0 1.8 3.8 841 736 A 572 THR HB A 573 GLY H 1.0 1.9 4.1 842 737 A 584 TRP HE1 A 572 THR HB 1.0 1.9 6.0 843 738 A 584 TRP HE1 A 572 THR HG2% 1.0 1.9 6.0 844 739 A 553 VAL HG1% A 573 GLY H 1.0 2.0 6.0 845 740 A 573 GLY H A 584 TRP HD1 1.0 2.0 4.6 846 741 A 573 GLY HAx A 574 VAL H 1.0 1.8 4.0 847 742 A 573 GLY HAx A 582 TRP HE3 1.0 0.0 6.0 848 743 A 573 GLY HAx A 584 TRP HD1 1.0 1.7 3.1 849 744 A 584 TRP HE1 A 573 GLY HAx 1.0 1.9 4.3 850 745 A 573 GLY HAx A 585 LYS H 1.0 2.0 6.0 851 746 A 574 VAL H A 584 TRP HD1 1.0 1.9 5.1 852 747 A 574 VAL HA A 575 TYR H 1.0 1.5 2.3 853 748 A 574 VAL HG1% A 585 LYS H 1.0 0.0 6.0 854 748 A 574 VAL HG2% A 585 LYS H 1.0 0.0 6.0 855 749 A 574 VAL H A 574 VAL HG1% 1.0 1.9 4.9 856 750 A 575 TYR H A 575 TYR HD% 1.0 2.0 5.6 857 751 A 575 TYR H A 582 TRP HZ3 1.0 2.0 5.2 858 752 A 575 TYR H A 575 TYR HA 1.0 1.7 3.3 859 753 A 575 TYR HA A 575 TYR HD% 1.0 1.5 2.7 860 754 A 575 TYR HA A 582 TRP H 1.0 2.0 6.0 861 755 A 575 TYR HBx A 575 TYR HD% 1.0 1.6 2.8 862 756 A 575 TYR HBx A 576 ASP H 1.0 2.0 6.0 863 757 A 575 TYR HBx A 582 TRP HE3 1.0 1.9 6.0 864 758 A 575 TYR HBx A 582 TRP HH2 1.0 2.0 6.0 865 759 A 575 TYR HBx A 582 TRP HZ3 1.0 2.0 6.0 866 760 A 575 TYR HBy A 575 TYR HD% 1.0 1.7 3.1 867 761 A 575 TYR HBy A 582 TRP HE3 1.0 1.9 4.1 868 762 A 575 TYR HBy A 582 TRP HH2 1.0 2.0 5.0 869 763 A 575 TYR HBy A 582 TRP HZ3 1.0 2.0 4.6 870 764 A 575 TYR HE% A 575 TYR HD% 1.0 1.5 2.3 871 765 A 576 ASP H A 575 TYR HD% 1.0 1.9 4.3 872 766 A 577 GLU H A 575 TYR HD% 1.0 2.0 5.6 873 767 A 577 GLU H A 577 GLU HA 1.0 1.8 3.6 874 768 A 578 GLU H A 577 GLU HA 1.0 1.9 4.7 875 769 A 577 GLU HGy A 577 GLU H 1.0 1.7 3.5 876 769 A 577 GLU HGx A 577 GLU H 1.0 1.7 3.5 877 770 A 578 GLU H A 578 GLU HA 1.0 1.8 3.6 878 771 A 578 GLU H A 578 GLU HGx 1.0 2.0 5.2 879 771 A 578 GLU H A 578 GLU HGy 1.0 2.0 5.2 880 772 A 578 GLU H A 579 SER H 1.0 1.7 3.5 881 773 A 581 GLU H A 575 TYR HE% 1.0 2.0 5.6 882 774 A 581 GLU H A 582 TRP H 1.0 2.0 5.6 883 775 A 581 GLU HA A 582 TRP H 1.0 1.5 2.7 884 776 A 582 TRP H A 581 GLU HBx 1.0 1.9 3.9 885 776 A 581 GLU HBy A 582 TRP H 1.0 1.9 3.9 886 777 A 582 TRP H A 583 VAL H 1.0 2.0 6.0 887 778 A 582 TRP HBx A 575 TYR HD% 1.0 2.0 5.8 888 779 A 582 TRP H A 582 TRP HBx 1.0 1.9 4.5 889 780 A 582 TRP HBx A 582 TRP HE3 1.0 1.6 3.0 890 781 A 582 TRP HBx A 582 TRP HZ3 1.0 1.9 6.0 891 782 A 582 TRP HBy A 575 TYR HD% 1.0 1.9 6.0 892 783 A 582 TRP HBy A 582 TRP HE3 1.0 2.0 4.8 893 784 A 582 TRP HBy A 583 VAL H 1.0 2.0 6.0 894 785 A 582 TRP HD1 A 575 TYR HD% 1.0 1.9 4.3 895 786 A 582 TRP HD1 A 575 TYR HE% 1.0 2.0 5.0 896 787 A 582 TRP H A 582 TRP HD1 1.0 1.8 3.6 897 788 A 582 TRP HE1 A 582 TRP HD1 1.0 1.7 3.5 898 789 A 582 TRP HE1 A 575 TYR HD% 1.0 1.9 4.5 899 790 A 582 TRP HE1 A 575 TYR HE% 1.0 1.9 4.9 900 791 A 582 TRP HE1 A 582 TRP HZ2 1.0 1.9 4.3 901 792 A 582 TRP HE3 A 575 TYR HD% 1.0 2.0 5.8 902 793 A 575 TYR HE% A 582 TRP HZ2 1.0 0.0 6.0 903 794 A 582 TRP HH2 A 582 TRP HZ2 1.0 1.7 3.1 904 795 A 576 ASP H A 583 VAL H 1.0 2.0 5.6 905 796 A 583 VAL HA A 550 TYR HD% 1.0 2.0 4.6 906 797 A 583 VAL HA A 583 VAL H 1.0 1.9 4.1 907 798 A 583 VAL H A 583 VAL HB 1.0 2.0 5.8 908 799 A 550 TYR HBx A 583 VAL HG1% 1.0 2.0 5.6 909 799 A 550 TYR HBx A 583 VAL HG2% 1.0 2.0 5.6 910 800 A 550 TYR HBy A 583 VAL HG1% 1.0 2.0 4.6 911 800 A 550 TYR HBy A 583 VAL HG2% 1.0 2.0 4.6 912 801 A 583 VAL HG2% A 550 TYR HD% 1.0 1.8 3.8 913 801 A 583 VAL HG1% A 550 TYR HD% 1.0 1.8 3.8 914 802 A 583 VAL HG2% A 550 TYR HE% 1.0 1.7 3.3 915 802 A 583 VAL HG1% A 550 TYR HE% 1.0 1.7 3.3 916 803 A 553 VAL HG2% A 583 VAL HG2% 1.0 2.0 6.0 917 804 A 583 VAL HG2% A 583 VAL H 1.0 1.7 3.1 918 805 A 583 VAL HG2% A 584 TRP H 1.0 1.9 4.5 919 806 A 584 TRP HE1 A 583 VAL HG2% 1.0 2.0 6.0 920 807 A 583 VAL HG2% A 585 LYS H 1.0 1.9 4.3 921 808 A 550 TYR HBx A 584 TRP H 1.0 1.8 6.0 922 809 A 550 TYR HBy A 584 TRP H 1.0 2.0 5.0 923 810 A 584 TRP H A 584 TRP HD1 1.0 2.0 5.0 924 811 A 584 TRP H A 584 TRP HA 1.0 1.8 4.0 925 812 A 584 TRP HA A 585 LYS H 1.0 1.6 2.8 926 813 A 553 VAL HG2% A 584 TRP HBx 1.0 2.0 6.0 927 814 A 584 TRP HBx A 584 TRP HE3 1.0 1.7 3.5 928 815 A 584 TRP HBx A 585 LYS H 1.0 2.0 6.0 929 816 A 584 TRP H A 584 TRP HBy 1.0 1.8 3.6 930 817 A 584 TRP HBy A 584 TRP HE3 1.0 1.8 3.6 931 818 A 553 VAL HG1% A 584 TRP HD1 1.0 2.0 5.4 932 819 A 572 THR HA A 584 TRP HD1 1.0 0.0 6.0 933 820 A 585 LYS H A 584 TRP HD1 1.0 2.0 6.0 934 821 A 584 TRP HE1 A 584 TRP HD1 1.0 1.7 3.1 935 822 A 584 TRP HE1 A 584 TRP HZ2 1.0 1.8 3.6 936 823 A 584 TRP HZ2 A 584 TRP HH2 1.0 1.7 2.9 937 824 A 584 TRP H A 585 LYS H 1.0 2.0 5.8 938 825 A 585 LYS H A 585 LYS HA 1.0 1.9 4.3 939 826 A 585 LYS H A 585 LYS HBx 1.0 1.8 3.6 940 827 A 585 LYS H A 585 LYS HBy 1.0 1.9 4.1 941 828 A 585 LYS H A 585 LYS HGx 1.0 1.9 4.1 942 829 A 585 LYS H A 585 LYS HGy 1.0 1.8 4.0 943 830 A 585 LYS H A 586 ASN H 1.0 2.0 6.0 944 831 A 587 THR H A 586 ASN H 1.0 2.0 4.8 945 832 A 588 ILE H A 587 THR HB 1.0 2.0 6.0 946 833 A 587 THR HG2% A 596 HIS HA 1.0 2.0 5.4 947 834 A 588 ILE H A 587 THR HA 1.0 1.6 2.8 948 835 A 588 ILE H A 596 HIS HA 1.0 2.0 5.8 949 836 A 589 GLU H A 588 ILE HA 1.0 1.7 2.9 950 837 A 588 ILE H A 588 ILE HB 1.0 2.0 5.6 951 838 A 588 ILE HD1% A 588 ILE HB 1.0 1.9 4.3 952 839 A 589 GLU H A 590 VAL H 1.0 2.0 6.0 953 840 A 589 GLU H A 589 GLU HBx 1.0 1.7 3.1 954 841 A 590 VAL H A 589 GLU HBx 1.0 2.0 4.8 955 842 A 589 GLU HBx A 594 TYR HD% 1.0 2.0 6.0 956 843 A 594 TYR HE% A 589 GLU HBx 1.0 2.0 6.0 957 844 A 589 GLU H A 589 GLU HBy 1.0 1.8 3.6 958 845 A 590 VAL H A 589 GLU HBy 1.0 1.9 5.1 959 846 A 589 GLU HBy A 594 TYR HD% 1.0 1.7 3.1 960 847 A 594 TYR HE% A 589 GLU HBy 1.0 1.5 2.7 961 848 A 590 VAL H A 590 VAL HG1% 1.0 2.0 5.6 962 849 A 590 VAL H A 590 VAL HA 1.0 1.8 3.6 963 850 A 590 VAL HB A 590 VAL HG2% 1.0 1.7 2.9 964 851 A 590 VAL HB A 595 PHE HE% 1.0 1.9 4.1 965 852 A 590 VAL HB A 600 TYR HE% 1.0 2.0 5.4 966 853 A 590 VAL HG2% A 590 VAL HG1% 1.0 1.6 2.6 967 854 A 590 VAL HG1% A 600 TYR HD% 1.0 2.0 6.0 968 855 A 590 VAL HG1% A 600 TYR HE% 1.0 1.8 3.8 969 856 A 590 VAL HG2% A 600 TYR HD% 1.0 2.0 5.4 970 857 A 590 VAL HG2% A 600 TYR HE% 1.0 1.9 3.9 971 858 A 592 GLY H A 591 ASN HA 1.0 1.8 3.8 972 859 A 592 GLY H A 591 ASN HBx 1.0 2.0 6.0 973 860 A 592 GLY H A 591 ASN HBy 1.0 1.9 6.0 974 861 A 592 GLY H A 592 GLY HA3 1.0 1.8 3.8 975 862 A 592 GLY H A 592 GLY HA2 1.0 1.6 3.0 976 863 A 593 LYS HA A 594 TYR HD% 1.0 2.0 4.6 977 864 A 593 LYS HA A 594 TYR HE% 1.0 2.0 5.8 978 865 A 594 TYR H A 594 TYR HD% 1.0 1.7 3.5 979 866 A 594 TYR HBy A 594 TYR HD% 1.0 1.6 2.8 980 866 A 594 TYR HBx A 594 TYR HD% 1.0 1.6 2.8 981 867 A 594 TYR HE% A 594 TYR HD% 1.0 1.5 2.3 982 868 A 594 TYR H A 595 PHE H 1.0 2.0 6.0 983 869 A 595 PHE H A 594 TYR HD% 1.0 2.0 5.4 984 870 A 594 TYR HE% A 595 PHE H 1.0 0.0 6.0 985 871 A 562 PHE HD% A 595 PHE HA 1.0 0.0 6.0 986 872 A 595 PHE HA A 562 PHE HZ 1.0 1.7 3.1 987 873 A 595 PHE H A 595 PHE HA 1.0 1.8 4.0 988 874 A 595 PHE HD% A 595 PHE HA 1.0 1.8 3.8 989 875 A 595 PHE HA A 596 HIS H 1.0 1.7 3.3 990 876 A 595 PHE HBy A 595 PHE HD% 1.0 1.7 3.3 991 877 A 595 PHE HE% A 595 PHE HBy 1.0 1.9 6.0 992 878 A 595 PHE HBy A 596 HIS H 1.0 2.0 5.6 993 879 A 590 VAL H A 595 PHE HD% 1.0 1.9 4.5 994 880 A 595 PHE HD% A 600 TYR HE% 1.0 2.0 5.8 995 881 A 590 VAL H A 595 PHE HE% 1.0 2.0 4.8 996 882 A 595 PHE HE% A 600 TYR HD% 1.0 0.0 6.0 997 883 A 595 PHE HE% A 600 TYR HE% 1.0 0.0 6.0 998 884 A 596 HIS HA A 596 HIS H 1.0 1.9 4.1 999 885 A 597 SER H A 596 HIS HA 1.0 1.7 3.1 1000 886 A 596 HIS HBx A 596 HIS H 1.0 1.9 5.5 1001 887 A 596 HIS HBy A 596 HIS H 1.0 1.8 3.4 1002 888 A 596 HIS HBy A 596 HIS HA 1.0 1.9 4.3 1003 889 A 596 HIS HD2 A 596 HIS HA 1.0 1.8 3.8 1004 890 A 588 ILE H A 597 SER H 1.0 2.0 6.0 1005 891 A 597 SER HBx A 596 HIS HA 1.0 1.9 6.0 1006 891 A 597 SER HBy A 596 HIS HA 1.0 1.9 6.0 1007 892 A 599 CYS HBx A 596 HIS H 1.0 2.0 6.0 1008 893 A 600 TYR H A 596 HIS H 1.0 2.0 6.0 1009 894 A 599 CYS H A 600 TYR HBx 1.0 1.9 5.5 1010 894 A 599 CYS H A 600 TYR HBy 1.0 1.9 5.5 1011 895 A 600 TYR HBx A 600 TYR HE% 1.0 2.0 6.0 1012 895 A 600 TYR HBy A 600 TYR HE% 1.0 2.0 6.0 1013 896 A 588 ILE HD1% A 600 TYR HD% 1.0 1.9 4.1 1014 897 A 600 TYR HD% A 600 TYR HE% 1.0 1.6 2.8 1015 898 A 588 ILE HD1% A 600 TYR HE% 1.0 1.9 4.7 1016 899 A 625 THR HA A 626 LYS H 1.0 1.9 4.7 1017 900 A 563 LYS H A 570 THR H 1.0 1.9 4.3 1018 900 A 566 ILE H A 600 TYR H 1.0 1.9 4.3 1019 900 A 564 CYS H A 566 ILE H 1.0 1.9 4.3 1020 900 A 564 CYS H A 570 THR H 1.0 1.9 4.3 1021 901 A 563 LYS H A 596 HIS HE1 1.0 2.0 5.4 1022 901 A 569 GLU H A 596 HIS HE1 1.0 2.0 5.4 1023 902 A 550 TYR H A 581 GLU HBy 1.0 0.0 6.0 1024 902 A 550 TYR H A 574 VAL HB 1.0 0.0 6.0 1025 902 A 550 TYR H A 581 GLU HBx 1.0 0.0 6.0 1026 902 A 550 TYR H A 585 LYS HBy 1.0 0.0 6.0 1027 903 A 563 LYS H A 564 CYS H 1.0 2.0 5.0 1028 903 A 569 GLU H A 564 CYS H 1.0 2.0 5.0 1029 904 A 552 VAL HG1% A 576 ASP H 1.0 0.0 6.0 1030 904 A 552 VAL HG2% A 576 ASP H 1.0 0.0 6.0 1031 904 A 574 VAL HG1% A 576 ASP H 1.0 0.0 6.0 1032 905 A 576 ASP H A 582 TRP HE3 1.0 2.0 5.4 1033 905 A 576 ASP H A 581 GLU H 1.0 2.0 5.4 1034 906 A 576 ASP HBx A 580 GLY H 1.0 1.9 4.3 1035 906 A 580 GLY H A 577 GLU HBx 1.0 1.9 4.3 1036 907 A 581 GLU H A 582 TRP HBx 1.0 2.0 6.0 1037 907 A 576 ASP HBy A 581 GLU H 1.0 2.0 6.0 1038 908 A 552 VAL HG1% A 583 VAL H 1.0 2.0 5.0 1039 908 A 574 VAL HG1% A 583 VAL H 1.0 2.0 5.0 1040 908 A 552 VAL HG2% A 583 VAL H 1.0 2.0 5.0 1041 909 A 561 ALA HB% A 584 TRP H 1.0 0.0 6.0 1042 909 A 552 VAL HG2% A 584 TRP H 1.0 0.0 6.0 1043 910 A 584 TRP HE1 A 572 THR H 1.0 2.0 5.2 1044 910 A 562 PHE H A 584 TRP HE1 1.0 2.0 5.2 1045 911 A 571 VAL HG1% A 585 LYS H 1.0 1.9 4.5 1046 911 A 583 VAL HG2% A 585 LYS H 1.0 1.9 4.5 1047 912 A 590 VAL H A 594 TYR H 1.0 1.9 5.1 1048 912 A 590 VAL H A 595 PHE HD% 1.0 1.9 5.1 1049 913 A 590 VAL H A 589 GLU HBx 1.0 2.0 5.0 1050 913 A 590 VAL H A 593 LYS HB2 1.0 2.0 5.0 1051 913 A 590 VAL H A 589 GLU HGx 1.0 2.0 5.0 1052 914 A 593 LYS H A 593 LYS HD2 1.0 1.8 3.4 1053 914 A 593 LYS H A 593 LYS HD3 1.0 1.8 3.4 1054 914 A 589 GLU HGy A 593 LYS H 1.0 1.8 3.4 1055 914 A 593 LYS H A 589 GLU HBy 1.0 1.8 3.4 1056 915 A 595 PHE H A 590 VAL HG1% 1.0 2.0 4.8 1057 915 A 588 ILE HG2% A 595 PHE H 1.0 2.0 4.8 1058 916 A 594 TYR HA A 584 TRP HE3 1.0 2.0 5.8 1059 916 A 594 TYR HA A 562 PHE HD% 1.0 2.0 5.8 1060 916 A 594 TYR HE% A 594 TYR HA 1.0 2.0 5.8 1061 917 A 588 ILE HG2% A 594 TYR HA 1.0 2.0 5.2 1062 917 A 583 VAL HG2% A 582 TRP HA 1.0 2.0 5.2 1063 917 A 583 VAL HG1% A 582 TRP HA 1.0 2.0 5.2 1064 918 A 575 TYR HA A 576 ASP HBx 1.0 1.7 3.3 1065 918 A 577 GLU HA A 577 GLU HBx 1.0 1.7 3.3 1066 919 A 590 VAL HG1% A 601 HIS HD2 1.0 0.0 6.0 1067 919 A 546 ILE HG21 A 601 HIS HD2 1.0 0.0 6.0 1068 919 A 588 ILE HG2% A 601 HIS HD2 1.0 0.0 6.0 1069 920 A 562 PHE HA A 595 PHE HD% 1.0 0.0 6.0 1070 920 A 585 LYS HA A 550 TYR HD% 1.0 0.0 6.0 1071 921 A 594 TYR HE% A 551 VAL HB 1.0 1.8 3.8 1072 921 A 551 VAL HB A 584 TRP HE3 1.0 1.8 3.8 1073 922 A 546 ILE HD11 A 598 THR HB 1.0 2.0 6.0 1074 922 A 549 LYS HA A 546 ILE HD11 1.0 2.0 6.0 1075 923 A 588 ILE HG2% A 590 VAL HA 1.0 1.8 3.4 1076 923 A 598 THR HA A 546 ILE HG21 1.0 1.8 3.4 1077 924 A 553 VAL HG1% A 584 TRP HE3 1.0 1.9 5.1 1078 924 A 553 VAL HG1% A 584 TRP HD1 1.0 1.9 5.1 1079 924 A 553 VAL HG1% A 584 TRP HH2 1.0 1.9 5.1 1080 924 A 553 VAL HG1% A 562 PHE HD% 1.0 1.9 5.1 1081 925 A 587 THR HG2% A 553 VAL HG1% 1.0 2.0 5.6 1082 925 A 553 VAL HG1% A 561 ALA HB% 1.0 2.0 5.6 1083 925 A 552 VAL HG2% A 553 VAL HG1% 1.0 2.0 5.6 1084 926 A 553 VAL HG1% A 562 PHE HD% 1.0 2.0 6.0 1085 926 A 553 VAL HG1% A 584 TRP HE3 1.0 2.0 6.0 1086 926 A 553 VAL HG1% A 584 TRP HD1 1.0 2.0 6.0 1087 926 A 553 VAL HG1% A 594 TYR HE% 1.0 2.0 6.0 1088 927 A 553 VAL HG2% A 561 ALA HB% 1.0 2.0 6.0 1089 927 A 553 VAL HG2% A 574 VAL HG2% 1.0 2.0 6.0 1090 927 A 552 VAL HG2% A 553 VAL HG2% 1.0 2.0 6.0 1091 928 A 562 PHE HD% A 554 PRO HDx 1.0 2.0 5.6 1092 928 A 594 TYR HE% A 554 PRO HDx 1.0 2.0 5.6 1093 928 A 554 PRO HDx A 584 TRP HE3 1.0 2.0 5.6 1094 929 A 554 PRO HDy A 584 TRP HD1 1.0 2.0 6.0 1095 929 A 594 TYR HE% A 554 PRO HDy 1.0 2.0 6.0 1096 929 A 562 PHE HD% A 554 PRO HDy 1.0 2.0 6.0 1097 929 A 554 PRO HDy A 584 TRP HE3 1.0 2.0 6.0 1098 930 A 560 MET HA A 584 TRP HD1 1.0 2.0 6.0 1099 930 A 560 MET HA A 562 PHE HD% 1.0 2.0 6.0 1100 930 A 560 MET HA A 584 TRP HH2 1.0 2.0 6.0 1101 931 A 561 ALA HA A 571 VAL HA 1.0 2.0 6.0 1102 931 A 560 MET HA A 561 ALA HA 1.0 2.0 6.0 1103 932 A 594 TYR HBx A 565 PRO HDy 1.0 2.0 5.2 1104 932 A 594 TYR HBy A 565 PRO HDy 1.0 2.0 5.2 1105 932 A 566 ILE HG2% A 565 PRO HDy 1.0 2.0 5.2 1106 932 A 574 VAL HG1% A 576 ASP HA 1.0 2.0 5.2 1107 933 A 576 ASP HA A 577 GLU HA 1.0 2.0 6.0 1108 933 A 575 TYR HA A 576 ASP HA 1.0 2.0 6.0 1109 934 A 566 ILE HD1% A 565 PRO HDx 1.0 2.0 5.8 1110 934 A 596 HIS HBy A 566 ILE HD1% 1.0 2.0 5.8 1111 935 A 572 THR HA A 573 GLY HAx 1.0 2.0 5.6 1112 935 A 573 GLY HAx A 584 TRP HA 1.0 2.0 5.6 1113 936 A 573 GLY HAx A 550 TYR HD% 1.0 2.0 4.6 1114 936 A 573 GLY HAx A 582 TRP HE3 1.0 2.0 4.6 1115 937 A 572 THR HA A 573 GLY HAy 1.0 1.9 5.3 1116 937 A 573 GLY HAy A 584 TRP HA 1.0 1.9 5.3 1117 938 A 576 ASP HBx A 575 TYR HE% 1.0 2.0 6.0 1118 938 A 577 GLU HBx A 575 TYR HE% 1.0 2.0 6.0 1119 939 A 552 VAL HG2% A 583 VAL HG2% 1.0 0.0 6.0 1120 939 A 574 VAL HG1% A 583 VAL HG2% 1.0 0.0 6.0 1121 939 A 574 VAL HG2% A 583 VAL HG2% 1.0 0.0 6.0 1122 940 A 571 VAL HG1% A 584 TRP HA 1.0 1.9 3.9 1123 940 A 583 VAL HG2% A 584 TRP HA 1.0 1.9 3.9 1124 941 A 583 VAL HG2% A 584 TRP HD1 1.0 1.9 4.3 1125 941 A 571 VAL HG1% A 584 TRP HD1 1.0 1.9 4.3 1126 942 A 586 ASN HA A 600 TYR HA 1.0 0.0 6.0 1127 942 A 586 ASN HA A 546 ILE HA 1.0 0.0 6.0 1128 943 A 594 TYR HE% A 587 THR HA 1.0 2.0 5.8 1129 943 A 587 THR HA A 584 TRP HE3 1.0 2.0 5.8 1130 943 A 587 THR HA A 562 PHE HZ 1.0 2.0 5.8 1131 944 A 588 ILE HG1x A 587 THR HA 1.0 2.0 6.0 1132 944 A 571 VAL HG1% A 587 THR HA 1.0 2.0 6.0 1133 944 A 588 ILE HG2% A 587 THR HA 1.0 2.0 6.0 1134 945 A 594 TYR HE% A 587 THR HB 1.0 2.0 5.2 1135 945 A 587 THR HB A 584 TRP HE3 1.0 2.0 5.2 1136 946 A 588 ILE HG1x A 587 THR HB 1.0 2.0 6.0 1137 946 A 588 ILE HG2% A 587 THR HB 1.0 2.0 6.0 1138 946 A 571 VAL HG1% A 587 THR HB 1.0 2.0 6.0 1139 947 A 593 LYS HB3 A 594 TYR HE% 1.0 1.9 4.3 1140 947 A 550 TYR HE% A 581 GLU HGy 1.0 1.9 4.3 1141 947 A 594 TYR HE% A 589 GLU HGx 1.0 1.9 4.3 1142 948 A 593 LYS HB3 A 590 VAL HA 1.0 2.0 6.0 1143 948 A 589 GLU HBx A 590 VAL HA 1.0 2.0 6.0 1144 948 A 589 GLU HGx A 590 VAL HA 1.0 2.0 6.0 1145 948 A 593 LYS HB2 A 590 VAL HA 1.0 2.0 6.0 1146 949 A 594 TYR HBx A 594 TYR HE% 1.0 1.9 4.9 1147 949 A 594 TYR HBy A 584 TRP HE3 1.0 1.9 4.9 1148 949 A 594 TYR HBx A 562 PHE HD% 1.0 1.9 4.9 1149 949 A 594 TYR HBy A 594 TYR HE% 1.0 1.9 4.9 1150 949 A 594 TYR HBx A 584 TRP HE3 1.0 1.9 4.9 1151 949 A 594 TYR HBy A 562 PHE HD% 1.0 1.9 4.9 1152 950 A 594 TYR HD% A 551 VAL HG1% 1.0 2.0 5.0 1153 950 A 587 THR HG2% A 594 TYR HD% 1.0 2.0 5.0 1154 951 A 581 GLU HGx A 582 TRP H 1.0 2.0 5.6 1155 951 A 553 VAL HB A 582 TRP H 1.0 2.0 5.6 1156 951 A 581 GLU HGy A 582 TRP H 1.0 2.0 5.6 1157 952 A 571 VAL HG1% A 573 GLY H 1.0 2.0 5.4 1158 952 A 573 GLY H A 583 VAL HG2% 1.0 2.0 5.4 1159 952 A 583 VAL HG2% A 586 ASN H 1.0 2.0 5.4 1160 952 A 586 ASN H A 546 ILE HG21 1.0 2.0 5.4 1161 952 A 583 VAL HG1% A 582 TRP H 1.0 2.0 5.4 1162 952 A 583 VAL HG1% A 586 ASN H 1.0 2.0 5.4 1163 953 A 586 ASN H A 585 LYS HGx 1.0 1.8 6.0 1164 953 A 572 THR HG2% A 573 GLY H 1.0 1.8 6.0 1165 954 A 553 VAL H A 573 GLY H 1.0 2.0 6.0 1166 954 A 553 VAL H A 582 TRP H 1.0 2.0 6.0 1167 955 A 552 VAL H A 583 VAL HG1% 1.0 2.0 6.0 1168 955 A 583 VAL HG1% A 585 LYS H 1.0 2.0 6.0 1169 955 A 571 VAL HG1% A 585 LYS H 1.0 2.0 6.0 1170 955 A 583 VAL HG2% A 585 LYS H 1.0 2.0 6.0 1171 956 A 575 TYR H A 582 TRP HE3 1.0 1.8 4.0 1172 956 A 599 CYS H A 600 TYR H 1.0 1.8 4.0 1173 957 A 594 TYR H A 595 PHE H 1.0 1.9 4.3 1174 957 A 595 PHE H A 595 PHE HD% 1.0 1.9 4.3 1175 957 A 575 TYR H A 582 TRP HE3 1.0 1.9 4.3 1176 957 A 575 TYR H A 582 TRP HZ3 1.0 1.9 4.3 1177 958 A 575 TYR HA A 583 VAL H 1.0 1.9 4.3 1178 958 A 573 GLY HAx A 574 VAL H 1.0 1.9 4.3 1179 959 A 569 GLU H A 562 PHE HE% 1.0 2.0 6.0 1180 959 A 563 LYS H A 562 PHE HE% 1.0 2.0 6.0 1181 959 A 564 CYS H A 562 PHE HE% 1.0 2.0 6.0 1182 960 A 575 TYR H A 582 TRP HD1 1.0 1.9 4.9 1183 960 A 569 GLU H A 596 HIS HE1 1.0 1.9 4.9 1184 960 A 564 CYS H A 596 HIS HE1 1.0 1.9 4.9 1185 961 A 587 THR HA A 546 ILE HG21 1.0 2.0 5.2 1186 961 A 571 VAL HG1% A 587 THR HA 1.0 2.0 5.2 1187 962 A 561 ALA HB% A 573 GLY H 1.0 1.7 3.5 1188 962 A 588 ILE H A 587 THR HG2% 1.0 1.7 3.5 1189 963 A 588 ILE H A 583 VAL HB 1.0 1.9 6.0 1190 963 A 588 ILE H A 554 PRO HGy 1.0 1.9 6.0 1191 963 A 588 ILE H A 566 ILE HB 1.0 1.9 6.0 1192 963 A 573 GLY H A 554 PRO HGy 1.0 1.9 6.0 1193 963 A 573 GLY H A 575 TYR HBy 1.0 1.9 6.0 1194 963 A 588 ILE H A 585 LYS HBy 1.0 1.9 6.0 1195 963 A 560 MET HGx A 573 GLY H 1.0 1.9 6.0 1196 963 A 573 GLY H A 583 VAL HB 1.0 1.9 6.0 1197 963 A 573 GLY H A 576 ASP HBx 1.0 1.9 6.0 1198 964 A 564 CYS H A 562 PHE HE% 1.0 2.0 5.6 1199 964 A 595 PHE H A 562 PHE HE% 1.0 2.0 5.6 1200 965 A 595 PHE H A 584 TRP HE3 1.0 2.0 5.6 1201 965 A 564 CYS H A 562 PHE HZ 1.0 2.0 5.6 1202 965 A 564 CYS H A 562 PHE HD% 1.0 2.0 5.6 1203 965 A 595 PHE H A 562 PHE HZ 1.0 2.0 5.6 1204 965 A 595 PHE H A 562 PHE HD% 1.0 2.0 5.6 1205 966 A 590 VAL H A 595 PHE HZ 1.0 2.0 6.0 1206 966 A 595 PHE HE% A 592 GLY H 1.0 2.0 6.0 1207 966 A 590 VAL H A 595 PHE HE% 1.0 2.0 6.0 1208 967 A 563 LYS H A 562 PHE HZ 1.0 2.0 5.6 1209 967 A 589 GLU H A 594 TYR HE% 1.0 2.0 5.6 1210 967 A 563 LYS H A 562 PHE HD% 1.0 2.0 5.6 1211 968 A 562 PHE H A 572 THR HB 1.0 1.9 4.7 1212 968 A 556 THR HA A 558 GLN H 1.0 1.9 4.7 1213 968 A 572 THR H A 572 THR HB 1.0 1.9 4.7 1214 969 A 571 VAL HB A 572 THR H 1.0 1.9 4.3 1215 969 A 562 PHE H A 571 VAL HB 1.0 1.9 4.3 1216 970 A 572 THR H A 571 VAL HG2% 1.0 2.0 4.6 1217 970 A 562 PHE H A 571 VAL HG2% 1.0 2.0 4.6 1218 971 A 564 CYS H A 567 CYS H 1.0 2.0 5.4 1219 971 A 569 GLU H A 567 CYS H 1.0 2.0 5.4 1220 972 A 566 ILE H A 596 HIS HE1 1.0 0.0 6.0 1221 972 A 566 ILE H A 595 PHE HZ 1.0 0.0 6.0 1222 972 A 570 THR H A 596 HIS HE1 1.0 0.0 6.0 1223 972 A 566 ILE H A 595 PHE HE% 1.0 0.0 6.0 1224 973 A 564 CYS H A 595 PHE HE% 1.0 0.0 6.0 1225 973 A 595 PHE HZ A 595 PHE H 1.0 0.0 6.0 1226 973 A 595 PHE HE% A 595 PHE H 1.0 0.0 6.0 1227 974 A 593 LYS H A 595 PHE H 1.0 2.0 6.0 1228 974 A 577 GLU H A 579 SER H 1.0 2.0 6.0 1229 975 A 577 GLU H A 580 GLY H 1.0 2.0 6.0 1230 975 A 551 VAL H A 587 THR H 1.0 2.0 6.0 1231 975 A 576 ASP H A 577 GLU H 1.0 2.0 6.0 1232 976 A 551 VAL H A 550 TYR H 1.0 1.9 3.9 1233 976 A 577 GLU H A 578 GLU H 1.0 1.9 3.9 1234 977 A 568 LYS H A 570 THR H 1.0 2.0 5.2 1235 977 A 566 ILE H A 568 LYS H 1.0 2.0 5.2 1236 978 A 562 PHE H A 564 CYS H 1.0 2.0 6.0 1237 978 A 597 SER H A 600 TYR H 1.0 2.0 6.0 1238 978 A 564 CYS H A 568 LYS H 1.0 2.0 6.0 1239 979 A 564 CYS H A 568 LYS H 1.0 1.8 3.6 1240 979 A 562 PHE H A 563 LYS H 1.0 1.8 3.6 1241 979 A 569 GLU H A 568 LYS H 1.0 1.8 3.6 1242 980 A 583 VAL H A 585 LYS H 1.0 2.0 6.0 1243 980 A 574 VAL H A 585 LYS H 1.0 2.0 6.0 1244 981 A 551 VAL H A 552 VAL HG2% 1.0 2.0 4.8 1245 981 A 566 ILE H A 566 ILE HG2% 1.0 2.0 4.8 1246 982 A 570 THR H A 570 THR HG2% 1.0 2.0 5.2 1247 982 A 566 ILE H A 566 ILE HD1% 1.0 2.0 5.2 1248 983 A 551 VAL H A 552 VAL HG2% 1.0 2.0 5.8 1249 983 A 561 ALA HB% A 570 THR H 1.0 2.0 5.8 1250 984 A 563 LYS HGy A 564 CYS H 1.0 1.8 3.6 1251 984 A 563 LYS H A 563 LYS HGx 1.0 1.8 3.6 1252 984 A 594 TYR HBy A 595 PHE H 1.0 1.8 3.6 1253 984 A 574 VAL HG1% A 575 TYR H 1.0 1.8 3.6 1254 984 A 594 TYR HBx A 595 PHE H 1.0 1.8 3.6 1255 984 A 574 VAL HG2% A 575 TYR H 1.0 1.8 3.6 1256 984 A 563 LYS H A 563 LYS HGy 1.0 1.8 3.6 1257 984 A 563 LYS HGx A 564 CYS H 1.0 1.8 3.6 1258 985 A 563 LYS HGy A 564 CYS H 1.0 1.9 4.1 1259 985 A 563 LYS H A 563 LYS HGx 1.0 1.9 4.1 1260 985 A 600 TYR H A 566 ILE HD1% 1.0 1.9 4.1 1261 985 A 563 LYS HGx A 564 CYS H 1.0 1.9 4.1 1262 985 A 563 LYS H A 563 LYS HGy 1.0 1.9 4.1 1263 985 A 564 CYS H A 570 THR HG2% 1.0 1.9 4.1 1264 985 A 569 GLU H A 563 LYS HGy 1.0 1.9 4.1 1265 986 A 563 LYS H A 563 LYS HGy 1.0 1.7 3.5 1266 986 A 552 VAL HG1% A 553 VAL H 1.0 1.7 3.5 1267 986 A 569 GLU H A 563 LYS HGy 1.0 1.7 3.5 1268 986 A 552 VAL HG2% A 553 VAL H 1.0 1.7 3.5 1269 986 A 563 LYS H A 563 LYS HGx 1.0 1.7 3.5 1270 987 A 574 VAL HG2% A 575 TYR H 1.0 2.0 5.8 1271 987 A 552 VAL HG2% A 553 VAL H 1.0 2.0 5.8 1272 988 A 589 GLU H A 551 VAL HG1% 1.0 2.0 5.2 1273 988 A 553 VAL H A 551 VAL HG2% 1.0 2.0 5.2 1274 988 A 553 VAL H A 551 VAL HG1% 1.0 2.0 5.2 1275 988 A 589 GLU H A 551 VAL HG2% 1.0 2.0 5.2 1276 989 A 564 CYS H A 571 VAL HB 1.0 2.0 6.0 1277 989 A 590 VAL HG2% A 595 PHE H 1.0 2.0 6.0 1278 990 A 551 VAL H A 571 VAL HG2% 1.0 1.9 4.9 1279 990 A 566 ILE H A 571 VAL HG2% 1.0 1.9 4.9 1280 990 A 570 THR H A 571 VAL HG2% 1.0 1.9 4.9 1281 991 A 553 VAL HG1% A 561 ALA H 1.0 2.0 6.0 1282 991 A 553 VAL HG1% A 560 MET H 1.0 2.0 6.0 1283 992 A 562 PHE H A 572 THR HG2% 1.0 1.9 4.3 1284 992 A 568 LYS H A 568 LYS HGx 1.0 1.9 4.3 1285 992 A 572 THR H A 572 THR HG2% 1.0 1.9 4.3 1286 993 A 587 THR HG2% A 597 SER H 1.0 1.8 3.6 1287 993 A 561 ALA HB% A 562 PHE H 1.0 1.8 3.6 1288 994 A 570 THR HG2% A 572 THR H 1.0 2.0 4.4 1289 994 A 562 PHE H A 570 THR HG2% 1.0 2.0 4.4 1290 995 A 562 PHE H A 571 VAL HG1% 1.0 1.8 3.8 1291 995 A 588 ILE HG2% A 597 SER H 1.0 1.8 3.8 1292 995 A 571 VAL HG1% A 572 THR H 1.0 1.8 3.8 1293 995 A 597 SER H A 546 ILE HG21 1.0 1.8 3.8 1294 996 A 571 VAL HG1% A 595 PHE H 1.0 2.0 6.0 1295 996 A 595 PHE H A 590 VAL HG1% 1.0 2.0 6.0 1296 996 A 564 CYS H A 571 VAL HG1% 1.0 2.0 6.0 1297 997 A 552 VAL HG1% A 576 ASP H 1.0 2.0 6.0 1298 997 A 574 VAL HG2% A 576 ASP H 1.0 2.0 6.0 1299 997 A 552 VAL HG2% A 576 ASP H 1.0 2.0 6.0 1300 997 A 574 VAL HG1% A 576 ASP H 1.0 2.0 6.0 1301 998 A 587 THR H A 594 TYR HBx 1.0 2.0 6.0 1302 998 A 587 THR H A 594 TYR HBy 1.0 2.0 6.0 1303 998 A 552 VAL HG1% A 576 ASP H 1.0 2.0 6.0 1304 998 A 574 VAL HG1% A 576 ASP H 1.0 2.0 6.0 1305 999 A 597 SER H A 585 LYS HDy 1.0 0.0 6.0 1306 999 A 572 THR H A 585 LYS HDy 1.0 0.0 6.0 1307 999 A 550 TYR H A 585 LYS HDy 1.0 0.0 6.0 1308 999 A 597 SER H A 589 GLU HBy 1.0 0.0 6.0 1309 999 A 572 THR H A 585 LYS HDx 1.0 0.0 6.0 1310 999 A 550 TYR H A 585 LYS HDx 1.0 0.0 6.0 1311 999 A 597 SER H A 589 GLU HGy 1.0 0.0 6.0 1312 999 A 597 SER H A 585 LYS HDx 1.0 0.0 6.0 1313 1000 A 560 MET HBx A 561 ALA H 1.0 2.0 5.6 1314 1000 A 560 MET H A 560 MET HBx 1.0 2.0 5.6 1315 1001 A 560 MET HGx A 561 ALA H 1.0 2.0 5.2 1316 1001 A 560 MET H A 560 MET HGx 1.0 2.0 5.2 1317 1002 A 561 ALA H A 560 MET HBy 1.0 2.0 6.0 1318 1002 A 560 MET H A 560 MET HBy 1.0 2.0 6.0 1319 1003 A 550 TYR H A 583 VAL HB 1.0 1.8 3.8 1320 1003 A 576 ASP HBx A 578 GLU H 1.0 1.8 3.8 1321 1003 A 578 GLU H A 577 GLU HBx 1.0 1.8 3.8 1322 1004 A 580 GLY H A 578 GLU HBx 1.0 1.8 3.8 1323 1004 A 578 GLU H A 578 GLU HBx 1.0 1.8 3.8 1324 1004 A 578 GLU H A 578 GLU HBy 1.0 1.8 3.8 1325 1005 A 578 GLU H A 577 GLU HBy 1.0 1.9 4.1 1326 1005 A 578 GLU H A 578 GLU HBx 1.0 1.9 4.1 1327 1005 A 578 GLU H A 578 GLU HBy 1.0 1.9 4.1 1328 1005 A 578 GLU H A 578 GLU HGx 1.0 1.9 4.1 1329 1006 A 577 GLU HGy A 578 GLU H 1.0 2.0 5.8 1330 1006 A 578 GLU H A 578 GLU HGy 1.0 2.0 5.8 1331 1007 A 577 GLU HGy A 580 GLY H 1.0 2.0 5.8 1332 1007 A 577 GLU HGy A 578 GLU H 1.0 2.0 5.8 1333 1008 A 576 ASP HBx A 580 GLY H 1.0 1.8 3.8 1334 1008 A 580 GLY H A 577 GLU HBx 1.0 1.8 3.8 1335 1008 A 576 ASP H A 576 ASP HBx 1.0 1.8 3.8 1336 1009 A 553 VAL H A 554 PRO HGx 1.0 2.0 5.8 1337 1009 A 552 VAL HB A 553 VAL H 1.0 2.0 5.8 1338 1010 A 575 TYR H A 576 ASP HBx 1.0 2.0 5.6 1339 1010 A 564 CYS H A 566 ILE HB 1.0 2.0 5.6 1340 1010 A 569 GLU H A 568 LYS HBx 1.0 2.0 5.6 1341 1010 A 569 GLU H A 566 ILE HB 1.0 2.0 5.6 1342 1010 A 566 ILE HB A 600 TYR H 1.0 2.0 5.6 1343 1010 A 564 CYS H A 568 LYS HBx 1.0 2.0 5.6 1344 1011 A 569 GLU H A 568 LYS HBy 1.0 2.0 6.0 1345 1011 A 569 GLU H A 568 LYS HBx 1.0 2.0 6.0 1346 1011 A 569 GLU H A 566 ILE HB 1.0 2.0 6.0 1347 1011 A 553 VAL H A 581 GLU HBx 1.0 2.0 6.0 1348 1011 A 553 VAL H A 554 PRO HGy 1.0 2.0 6.0 1349 1011 A 553 VAL H A 583 VAL HB 1.0 2.0 6.0 1350 1012 A 574 VAL HB A 575 TYR H 1.0 1.7 2.9 1351 1012 A 575 TYR H A 575 TYR HBy 1.0 1.7 2.9 1352 1013 A 569 GLU H A 564 CYS HBx 1.0 1.8 3.8 1353 1013 A 564 CYS HBx A 564 CYS H 1.0 1.8 3.8 1354 1014 A 564 CYS HBx A 570 THR H 1.0 1.9 5.1 1355 1014 A 564 CYS HBx A 566 ILE H 1.0 1.9 5.1 1356 1015 A 551 VAL H A 581 GLU HBx 1.0 0.0 6.0 1357 1015 A 551 VAL H A 581 GLU HBy 1.0 0.0 6.0 1358 1015 A 570 THR H A 568 LYS HBy 1.0 0.0 6.0 1359 1015 A 551 VAL H A 585 LYS HBy 1.0 0.0 6.0 1360 1016 A 551 VAL H A 583 VAL HB 1.0 1.7 3.3 1361 1016 A 566 ILE H A 565 PRO HBx 1.0 1.7 3.3 1362 1016 A 566 ILE H A 566 ILE HB 1.0 1.7 3.3 1363 1017 A 566 ILE H A 565 PRO HBx 1.0 1.7 3.3 1364 1017 A 577 GLU H A 577 GLU HBx 1.0 1.7 3.3 1365 1017 A 566 ILE H A 566 ILE HG1y 1.0 1.7 3.3 1366 1018 A 566 ILE H A 565 PRO HBx 1.0 1.7 3.5 1367 1018 A 577 GLU H A 577 GLU HBx 1.0 1.7 3.5 1368 1018 A 566 ILE H A 566 ILE HB 1.0 1.7 3.5 1369 1019 A 570 THR H A 569 GLU HGx 1.0 2.0 5.4 1370 1019 A 570 THR H A 569 GLU HGy 1.0 2.0 5.4 1371 1019 A 569 GLU HBx A 570 THR H 1.0 2.0 5.4 1372 1019 A 566 ILE H A 565 PRO HBy 1.0 2.0 5.4 1373 1020 A 569 GLU HBx A 570 THR H 1.0 1.9 5.3 1374 1020 A 566 ILE H A 565 PRO HBy 1.0 1.9 5.3 1375 1021 A 564 CYS H A 569 GLU HGy 1.0 2.0 5.4 1376 1021 A 564 CYS H A 569 GLU HBy 1.0 2.0 5.4 1377 1021 A 595 PHE H A 595 PHE HBx 1.0 2.0 5.4 1378 1022 A 569 GLU H A 569 GLU HBy 1.0 2.0 5.2 1379 1022 A 569 GLU H A 569 GLU HGy 1.0 2.0 5.2 1380 1022 A 569 GLU H A 569 GLU HGx 1.0 2.0 5.2 1381 1022 A 595 PHE H A 595 PHE HBx 1.0 2.0 5.2 1382 1023 A 576 ASP H A 582 TRP HBx 1.0 2.0 5.2 1383 1023 A 576 ASP H A 576 ASP HBy 1.0 2.0 5.2 1384 1024 A 597 SER H A 600 TYR HBx 1.0 2.0 5.8 1385 1024 A 576 ASP HBy A 578 GLU H 1.0 2.0 5.8 1386 1025 A 587 THR H A 585 LYS HGy 1.0 1.9 6.0 1387 1025 A 587 THR H A 588 ILE HB 1.0 1.9 6.0 1388 1026 A 587 THR H A 589 GLU HBy 1.0 2.0 6.0 1389 1026 A 587 THR H A 585 LYS HDy 1.0 2.0 6.0 1390 1026 A 587 THR H A 585 LYS HDx 1.0 2.0 6.0 1391 1027 A 588 ILE H A 590 VAL HB 1.0 2.0 5.2 1392 1027 A 560 MET HBx A 573 GLY H 1.0 2.0 5.2 1393 1028 A 582 TRP HBx A 585 LYS H 1.0 1.8 6.0 1394 1028 A 576 ASP HBy A 585 LYS H 1.0 1.8 6.0 1395 1028 A 552 VAL H A 582 TRP HBx 1.0 1.8 6.0 1396 1028 A 585 LYS H A 586 ASN HBx 1.0 1.8 6.0 1397 1029 A 566 ILE H A 599 CYS HBx 1.0 2.0 6.0 1398 1029 A 570 THR H A 563 LYS HEy 1.0 2.0 6.0 1399 1030 A 566 ILE H A 567 CYS HBy 1.0 2.0 6.0 1400 1030 A 551 VAL H A 584 TRP HBx 1.0 2.0 6.0 1401 1031 A 564 CYS HBy A 570 THR H 1.0 2.0 6.0 1402 1031 A 564 CYS HBy A 566 ILE H 1.0 2.0 6.0 1403 1032 A 600 TYR H A 596 HIS HBx 1.0 1.7 3.1 1404 1032 A 564 CYS HBy A 564 CYS H 1.0 1.7 3.1 1405 1033 A 600 TYR H A 596 HIS HBx 1.0 1.8 3.6 1406 1033 A 569 GLU H A 564 CYS HBy 1.0 1.8 3.6 1407 1033 A 564 CYS HBy A 564 CYS H 1.0 1.8 3.6 1408 1034 A 595 PHE HBy A 600 TYR H 1.0 2.0 6.0 1409 1034 A 569 GLU H A 567 CYS HBy 1.0 2.0 6.0 1410 1035 A 564 CYS H A 567 CYS HBy 1.0 2.0 4.8 1411 1035 A 595 PHE HBy A 600 TYR H 1.0 2.0 4.8 1412 1035 A 569 GLU H A 567 CYS HBy 1.0 2.0 4.8 1413 1035 A 586 ASN HBy A 600 TYR H 1.0 2.0 4.8 1414 1036 A 595 PHE HBy A 600 TYR H 1.0 1.9 4.1 1415 1036 A 595 PHE H A 595 PHE HBy 1.0 1.9 4.1 1416 1037 A 553 VAL H A 554 PRO HDy 1.0 2.0 6.0 1417 1037 A 553 VAL H A 584 TRP HBx 1.0 2.0 6.0 1418 1037 A 569 GLU H A 567 CYS HBy 1.0 2.0 6.0 1419 1038 A 569 GLU H A 567 CYS HBx 1.0 1.9 4.7 1420 1038 A 600 TYR H A 601 HIS HBy 1.0 1.9 4.7 1421 1038 A 563 LYS H A 562 PHE HBx 1.0 1.9 4.7 1422 1038 A 600 TYR H A 599 CYS HBy 1.0 1.9 4.7 1423 1038 A 563 LYS H A 562 PHE HBy 1.0 1.9 4.7 1424 1039 A 563 LYS H A 563 LYS HEy 1.0 1.9 4.5 1425 1039 A 564 CYS H A 563 LYS HEy 1.0 1.9 4.5 1426 1039 A 600 TYR H A 599 CYS HBx 1.0 1.9 4.5 1427 1040 A 562 PHE H A 562 PHE HBy 1.0 2.0 4.6 1428 1040 A 550 TYR H A 550 TYR HBy 1.0 2.0 4.6 1429 1040 A 562 PHE H A 562 PHE HBx 1.0 2.0 4.6 1430 1040 A 550 TYR H A 550 TYR HBx 1.0 2.0 4.6 1431 1041 A 578 GLU H A 577 GLU HA 1.0 1.8 3.8 1432 1041 A 597 SER H A 597 SER HBy 1.0 1.8 3.8 1433 1041 A 597 SER H A 597 SER HBx 1.0 1.8 3.8 1434 1042 A 587 THR H A 597 SER HBy 1.0 1.6 2.8 1435 1042 A 580 GLY H A 577 GLU HA 1.0 1.6 2.8 1436 1042 A 580 GLY H A 580 GLY HAx 1.0 1.6 2.8 1437 1042 A 576 ASP H A 575 TYR HA 1.0 1.6 2.8 1438 1043 A 600 TYR H A 598 THR HA 1.0 1.8 3.8 1439 1043 A 564 CYS H A 568 LYS HA 1.0 1.8 3.8 1440 1043 A 569 GLU H A 568 LYS HA 1.0 1.8 3.8 1441 1044 A 600 TYR H A 566 ILE HA 1.0 2.0 6.0 1442 1044 A 552 VAL HA A 575 TYR H 1.0 2.0 6.0 1443 1044 A 564 CYS H A 566 ILE HA 1.0 2.0 6.0 1444 1044 A 569 GLU H A 566 ILE HA 1.0 2.0 6.0 1445 1044 A 600 TYR H A 603 THR HB 1.0 2.0 6.0 1446 1045 A 587 THR H A 587 THR HB 1.0 1.7 3.1 1447 1045 A 580 GLY H A 580 GLY HAy 1.0 1.7 3.1 1448 1046 A 560 MET HA A 561 ALA H 1.0 1.9 4.1 1449 1046 A 560 MET H A 560 MET HA 1.0 1.9 4.1 1450 1047 A 562 PHE H A 572 THR HA 1.0 1.9 4.1 1451 1047 A 572 THR H A 572 THR HA 1.0 1.9 4.1 1452 1048 A 551 VAL H A 551 VAL HA 1.0 1.5 2.7 1453 1048 A 566 ILE H A 565 PRO HDy 1.0 1.5 2.7 1454 1048 A 569 GLU HA A 570 THR H 1.0 1.5 2.7 1455 1049 A 564 CYS H A 565 PRO HDy 1.0 1.6 2.6 1456 1049 A 564 CYS H A 563 LYS HA 1.0 1.6 2.6 1457 1050 A 600 TYR H A 598 THR HB 1.0 1.9 4.5 1458 1050 A 564 CYS H A 570 THR HA 1.0 1.9 4.5 1459 1051 A 563 LYS H A 570 THR HA 1.0 2.0 5.8 1460 1051 A 564 CYS H A 570 THR HA 1.0 2.0 5.8 1461 1052 A 564 CYS H A 565 PRO HDy 1.0 1.8 3.6 1462 1052 A 564 CYS H A 569 GLU HA 1.0 1.8 3.6 1463 1052 A 569 GLU H A 569 GLU HA 1.0 1.8 3.6 1464 1053 A 583 VAL HA A 585 LYS H 1.0 2.0 6.0 1465 1053 A 552 VAL H A 583 VAL HA 1.0 2.0 6.0 1466 1054 A 551 VAL H A 584 TRP HD1 1.0 1.9 6.0 1467 1054 A 566 ILE H A 562 PHE HD% 1.0 1.9 6.0 1468 1054 A 551 VAL H A 584 TRP HE3 1.0 1.9 6.0 1469 1054 A 551 VAL H A 550 TYR HE% 1.0 1.9 6.0 1470 1055 A 576 ASP H A 582 TRP HE3 1.0 1.9 4.5 1471 1055 A 576 ASP H A 581 GLU H 1.0 1.9 4.5 1472 1055 A 581 GLU H A 580 GLY H 1.0 1.9 4.5 1473 1056 A 564 CYS H A 568 LYS H 1.0 1.9 4.9 1474 1056 A 597 SER H A 595 PHE H 1.0 1.9 4.9 1475 1056 A 562 PHE H A 563 LYS H 1.0 1.9 4.9 1476 1056 A 569 GLU H A 568 LYS H 1.0 1.9 4.9 1477 1057 A 572 THR H A 573 GLY H 1.0 2.0 5.8 1478 1057 A 588 ILE H A 597 SER H 1.0 2.0 5.8 1479 1058 A 577 GLU H A 580 GLY H 1.0 2.0 6.0 1480 1058 A 576 ASP H A 577 GLU H 1.0 2.0 6.0 1481 1059 A 553 VAL H A 582 TRP H 1.0 2.0 6.0 1482 1059 A 588 ILE H A 589 GLU H 1.0 2.0 6.0 1483 1060 A 564 CYS H A 566 ILE H 1.0 2.0 5.4 1484 1060 A 569 GLU H A 566 ILE H 1.0 2.0 5.4 1485 1060 A 564 CYS H A 570 THR H 1.0 2.0 5.4 1486 1060 A 569 GLU H A 570 THR H 1.0 2.0 5.4 1487 1061 A 564 CYS H A 566 ILE H 1.0 2.0 6.0 1488 1061 A 564 CYS H A 570 THR H 1.0 2.0 6.0 1489 1061 A 569 GLU H A 570 THR H 1.0 2.0 6.0 1490 1062 A 585 LYS H A 584 TRP HE3 1.0 2.0 6.0 1491 1062 A 552 VAL H A 594 TYR HE% 1.0 2.0 6.0 1492 1062 A 552 VAL H A 550 TYR HE% 1.0 2.0 6.0 1493 1063 A 551 VAL H A 594 TYR HE% 1.0 2.0 6.0 1494 1063 A 551 VAL H A 584 TRP HE3 1.0 2.0 6.0 1495 1063 A 551 VAL H A 550 TYR HE% 1.0 2.0 6.0 1496 1064 A 590 VAL H A 562 PHE HZ 1.0 1.9 6.0 1497 1064 A 592 GLY H A 594 TYR HE% 1.0 1.9 6.0 1498 1064 A 590 VAL H A 594 TYR HE% 1.0 1.9 6.0 1499 1065 A 594 TYR H A 592 GLY H 1.0 2.0 4.8 1500 1065 A 590 VAL H A 594 TYR H 1.0 2.0 4.8 1501 1065 A 590 VAL H A 595 PHE HD% 1.0 2.0 4.8 1502 1066 A 566 ILE H A 595 PHE HD% 1.0 1.9 4.1 1503 1066 A 551 VAL H A 550 TYR HD% 1.0 1.9 4.1 1504 1067 A 594 TYR H A 595 PHE H 1.0 1.9 4.5 1505 1067 A 595 PHE H A 595 PHE HD% 1.0 1.9 4.5 1506 1068 A 585 LYS H A 550 TYR HD% 1.0 2.0 5.0 1507 1068 A 552 VAL H A 550 TYR HD% 1.0 2.0 5.0 1508 1069 A 564 CYS H A 595 PHE HE% 1.0 1.9 6.0 1509 1069 A 575 TYR H A 582 TRP HD1 1.0 1.9 6.0 1510 1069 A 569 GLU H A 596 HIS HE1 1.0 1.9 6.0 1511 1069 A 564 CYS H A 596 HIS HE1 1.0 1.9 6.0 1512 1070 A 552 VAL H A 550 TYR HA 1.0 1.9 6.0 1513 1070 A 585 LYS H A 550 TYR HA 1.0 1.9 6.0 1514 1071 A 596 HIS HD2 A 601 HIS HD2 1.0 0.0 6.0 1515 1071 A 601 HIS HD2 A 603 THR H 1.0 0.0 6.0 1516 1072 A 550 TYR HD% A 549 LYS H 1.0 2.0 6.0 1517 1072 A 582 TRP HE3 A 582 TRP HZ2 1.0 2.0 6.0 1518 1073 A 582 TRP HE3 A 575 TYR HE% 1.0 2.0 6.0 1519 1073 A 581 GLU H A 575 TYR HE% 1.0 2.0 6.0 1520 1074 A 595 PHE HD% A 562 PHE HD% 1.0 2.0 6.0 1521 1074 A 594 TYR H A 562 PHE HZ 1.0 2.0 6.0 1522 1074 A 594 TYR H A 594 TYR HE% 1.0 2.0 6.0 1523 1074 A 594 TYR H A 584 TRP HE3 1.0 2.0 6.0 1524 1074 A 594 TYR H A 562 PHE HD% 1.0 2.0 6.0 1525 1074 A 595 PHE HD% A 562 PHE HZ 1.0 2.0 6.0 1526 1075 A 595 PHE HD% A 565 PRO HA 1.0 1.9 4.3 1527 1075 A 550 TYR HD% A 551 VAL HA 1.0 1.9 4.3 1528 1075 A 595 PHE HD% A 565 PRO HDy 1.0 1.9 4.3 1529 1076 A 595 PHE HD% A 565 PRO HA 1.0 2.0 5.2 1530 1076 A 581 GLU H A 579 SER HA 1.0 2.0 5.2 1531 1076 A 549 LYS HA A 550 TYR HD% 1.0 2.0 5.2 1532 1077 A 581 GLU H A 579 SER HA 1.0 2.0 5.0 1533 1077 A 599 CYS H A 598 THR HB 1.0 2.0 5.0 1534 1078 A 552 VAL HA A 582 TRP HE3 1.0 2.0 5.0 1535 1078 A 595 PHE HD% A 566 ILE HA 1.0 2.0 5.0 1536 1078 A 552 VAL HA A 550 TYR HD% 1.0 2.0 5.0 1537 1079 A 599 CYS H A 598 THR HA 1.0 1.8 3.8 1538 1079 A 599 CYS H A 599 CYS HA 1.0 1.8 3.8 1539 1080 A 579 SER HA A 550 TYR HE% 1.0 2.0 6.0 1540 1080 A 549 LYS HA A 550 TYR HE% 1.0 2.0 6.0 1541 1080 A 562 PHE HD% A 565 PRO HA 1.0 2.0 6.0 1542 1080 A 570 THR HA A 562 PHE HD% 1.0 2.0 6.0 1543 1080 A 594 TYR HE% A 554 PRO HA 1.0 2.0 6.0 1544 1081 A 550 TYR HE% A 551 VAL HA 1.0 2.0 5.6 1545 1081 A 594 TYR HE% A 588 ILE HA 1.0 2.0 5.6 1546 1081 A 562 PHE HD% A 565 PRO HDy 1.0 2.0 5.6 1547 1081 A 594 TYR HE% A 551 VAL HA 1.0 2.0 5.6 1548 1081 A 551 VAL HA A 584 TRP HE3 1.0 2.0 5.6 1549 1081 A 588 ILE HA A 584 TRP HE3 1.0 2.0 5.6 1550 1082 A 562 PHE HD% A 554 PRO HDy 1.0 1.9 4.5 1551 1082 A 584 TRP HBx A 584 TRP HD1 1.0 1.9 4.5 1552 1082 A 594 TYR HE% A 554 PRO HDy 1.0 1.9 4.5 1553 1082 A 584 TRP HBx A 562 PHE HZ 1.0 1.9 4.5 1554 1082 A 554 PRO HDy A 584 TRP HH2 1.0 1.9 4.5 1555 1082 A 554 PRO HDy A 584 TRP HD1 1.0 1.9 4.5 1556 1083 A 582 TRP HBx A 584 TRP HD1 1.0 2.0 5.4 1557 1083 A 562 PHE HD% A 554 PRO HDx 1.0 2.0 5.4 1558 1083 A 554 PRO HDx A 584 TRP HH2 1.0 2.0 5.4 1559 1083 A 554 PRO HDx A 584 TRP HD1 1.0 2.0 5.4 1560 1083 A 554 PRO HDx A 584 TRP HE3 1.0 2.0 5.4 1561 1083 A 594 TYR HE% A 554 PRO HDx 1.0 2.0 5.4 1562 1084 A 562 PHE HD% A 554 PRO HDx 1.0 1.9 4.7 1563 1084 A 554 PRO HDx A 584 TRP HD1 1.0 1.9 4.7 1564 1084 A 582 TRP HBx A 584 TRP HD1 1.0 1.9 4.7 1565 1084 A 554 PRO HDx A 584 TRP HH2 1.0 1.9 4.7 1566 1085 A 553 VAL HA A 594 TYR HE% 1.0 2.0 6.0 1567 1085 A 553 VAL HA A 562 PHE HD% 1.0 2.0 6.0 1568 1085 A 553 VAL HA A 584 TRP HH2 1.0 2.0 6.0 1569 1085 A 553 VAL HA A 584 TRP HD1 1.0 2.0 6.0 1570 1085 A 553 VAL HA A 584 TRP HE3 1.0 2.0 6.0 1571 1086 A 553 VAL HA A 562 PHE HD% 1.0 2.0 5.8 1572 1086 A 553 VAL HA A 584 TRP HH2 1.0 2.0 5.8 1573 1086 A 553 VAL HA A 584 TRP HD1 1.0 2.0 5.8 1574 1087 A 574 VAL HB A 584 TRP HD1 1.0 1.8 3.8 1575 1087 A 551 VAL HB A 584 TRP HD1 1.0 1.8 3.8 1576 1087 A 594 TYR HE% A 551 VAL HB 1.0 1.8 3.8 1577 1087 A 551 VAL HB A 584 TRP HE3 1.0 1.8 3.8 1578 1088 A 583 VAL HB A 584 TRP HD1 1.0 1.9 4.7 1579 1088 A 562 PHE HD% A 554 PRO HGy 1.0 1.9 4.7 1580 1088 A 554 PRO HGy A 584 TRP HH2 1.0 1.9 4.7 1581 1089 A 552 VAL HB A 594 TYR HE% 1.0 1.9 4.1 1582 1089 A 554 PRO HGx A 584 TRP HE3 1.0 1.9 4.1 1583 1089 A 554 PRO HGx A 562 PHE HD% 1.0 1.9 4.1 1584 1089 A 554 PRO HGx A 584 TRP HH2 1.0 1.9 4.1 1585 1089 A 594 TYR HE% A 554 PRO HGx 1.0 1.9 4.1 1586 1090 A 583 VAL HB A 584 TRP HE3 1.0 0.0 6.0 1587 1090 A 565 PRO HBx A 562 PHE HZ 1.0 0.0 6.0 1588 1090 A 562 PHE HD% A 565 PRO HBx 1.0 0.0 6.0 1589 1090 A 583 VAL HB A 584 TRP HD1 1.0 0.0 6.0 1590 1091 A 554 PRO HGy A 584 TRP HE3 1.0 2.0 5.0 1591 1091 A 576 ASP HBx A 550 TYR HE% 1.0 2.0 5.0 1592 1091 A 594 TYR HE% A 554 PRO HGy 1.0 2.0 5.0 1593 1091 A 550 TYR HE% A 583 VAL HB 1.0 2.0 5.0 1594 1092 A 554 PRO HGy A 584 TRP HE3 1.0 2.0 6.0 1595 1092 A 576 ASP HBx A 550 TYR HE% 1.0 2.0 6.0 1596 1092 A 550 TYR HE% A 581 GLU HBx 1.0 2.0 6.0 1597 1092 A 594 TYR HE% A 554 PRO HGy 1.0 2.0 6.0 1598 1092 A 550 TYR HE% A 583 VAL HB 1.0 2.0 6.0 1599 1093 A 584 TRP HZ2 A 554 PRO HBy 1.0 2.0 6.0 1600 1093 A 584 TRP HZ2 A 554 PRO HBx 1.0 2.0 6.0 1601 1093 A 560 MET HBy A 584 TRP HZ2 1.0 2.0 6.0 1602 1094 A 582 TRP HBx A 584 TRP HZ2 1.0 2.0 5.8 1603 1094 A 584 TRP HZ2 A 554 PRO HDx 1.0 2.0 5.8 1604 1095 A 582 TRP HBy A 584 TRP HE3 1.0 2.0 6.0 1605 1095 A 550 TYR HE% A 582 TRP HBy 1.0 2.0 6.0 1606 1096 A 581 GLU H A 579 SER HBx 1.0 2.0 4.4 1607 1096 A 599 CYS H A 596 HIS HBy 1.0 2.0 4.4 1608 1097 A 594 TYR H A 554 PRO HGx 1.0 1.9 4.3 1609 1097 A 552 VAL HB A 550 TYR HD% 1.0 1.9 4.3 1610 1097 A 585 LYS HBx A 550 TYR HD% 1.0 1.9 4.3 1611 1097 A 595 PHE HD% A 566 ILE HG1y 1.0 1.9 4.3 1612 1098 A 594 TYR H A 554 PRO HGx 1.0 2.0 6.0 1613 1098 A 552 VAL HB A 550 TYR HD% 1.0 2.0 6.0 1614 1098 A 552 VAL HB A 582 TRP HE3 1.0 2.0 6.0 1615 1098 A 585 LYS HBx A 550 TYR HD% 1.0 2.0 6.0 1616 1098 A 595 PHE HD% A 566 ILE HG1y 1.0 2.0 6.0 1617 1099 A 589 GLU HGy A 594 TYR H 1.0 1.8 3.8 1618 1099 A 560 MET HBx A 582 TRP HE3 1.0 1.8 3.8 1619 1099 A 590 VAL HB A 595 PHE HD% 1.0 1.8 3.8 1620 1100 A 589 GLU HGy A 595 PHE HD% 1.0 2.0 5.4 1621 1100 A 589 GLU HGy A 594 TYR H 1.0 2.0 5.4 1622 1100 A 594 TYR H A 589 GLU HBy 1.0 2.0 5.4 1623 1100 A 593 LYS HD3 A 595 PHE HD% 1.0 2.0 5.4 1624 1100 A 594 TYR H A 593 LYS HD3 1.0 2.0 5.4 1625 1100 A 593 LYS HD2 A 595 PHE HD% 1.0 2.0 5.4 1626 1101 A 566 ILE HB A 599 CYS H 1.0 1.9 4.1 1627 1101 A 576 ASP HBx A 581 GLU H 1.0 1.9 4.1 1628 1101 A 581 GLU H A 581 GLU HBx 1.0 1.9 4.1 1629 1102 A 552 VAL HB A 581 GLU H 1.0 2.0 6.0 1630 1102 A 599 CYS H A 546 ILE HB 1.0 2.0 6.0 1631 1102 A 599 CYS H A 566 ILE HG1y 1.0 2.0 6.0 1632 1103 A 554 PRO HGx A 584 TRP HE3 1.0 2.0 5.4 1633 1103 A 554 PRO HGx A 562 PHE HD% 1.0 2.0 5.4 1634 1103 A 552 VAL HB A 550 TYR HE% 1.0 2.0 5.4 1635 1103 A 594 TYR HE% A 554 PRO HGx 1.0 2.0 5.4 1636 1104 A 563 LYS HGy A 595 PHE HD% 1.0 0.0 6.0 1637 1104 A 595 PHE HD% A 566 ILE HD1% 1.0 0.0 6.0 1638 1105 A 552 VAL HG1% A 581 GLU H 1.0 1.9 6.0 1639 1105 A 566 ILE HG2% A 599 CYS H 1.0 1.9 6.0 1640 1105 A 599 CYS H A 566 ILE HD1% 1.0 1.9 6.0 1641 1106 A 571 VAL HG1% A 599 CYS H 1.0 1.9 4.5 1642 1106 A 599 CYS H A 546 ILE HG21 1.0 1.9 4.5 1643 1106 A 583 VAL HG1% A 581 GLU H 1.0 1.9 4.5 1644 1107 A 550 TYR HD% A 551 VAL HG2% 1.0 2.0 6.0 1645 1107 A 593 LYS HG2 A 595 PHE HD% 1.0 2.0 6.0 1646 1107 A 550 TYR HD% A 551 VAL HG1% 1.0 2.0 6.0 1647 1107 A 587 THR HG2% A 595 PHE HD% 1.0 2.0 6.0 1648 1107 A 594 TYR H A 593 LYS HG2 1.0 2.0 6.0 1649 1107 A 587 THR HG2% A 594 TYR H 1.0 2.0 6.0 1650 1108 A 587 THR HG2% A 594 TYR H 1.0 2.0 6.0 1651 1108 A 593 LYS HG2 A 595 PHE HD% 1.0 2.0 6.0 1652 1108 A 587 THR HG2% A 595 PHE HD% 1.0 2.0 6.0 1653 1108 A 594 TYR H A 593 LYS HG2 1.0 2.0 6.0 1654 1109 A 574 VAL HG2% A 582 TRP HE3 1.0 2.0 6.0 1655 1109 A 552 VAL HG1% A 550 TYR HD% 1.0 2.0 6.0 1656 1109 A 574 VAL HG1% A 582 TRP HE3 1.0 2.0 6.0 1657 1109 A 574 VAL HG1% A 582 TRP HZ3 1.0 2.0 6.0 1658 1109 A 574 VAL HG2% A 582 TRP HZ3 1.0 2.0 6.0 1659 1109 A 552 VAL HG2% A 550 TYR HD% 1.0 2.0 6.0 1660 1110 A 594 TYR H A 593 LYS HB3 1.0 1.9 4.3 1661 1110 A 593 LYS HB3 A 595 PHE HD% 1.0 1.9 4.3 1662 1110 A 594 TYR H A 593 LYS HB2 1.0 1.9 4.3 1663 1110 A 594 TYR H A 589 GLU HGx 1.0 1.9 4.3 1664 1110 A 595 PHE HD% A 565 PRO HGx 1.0 1.9 4.3 1665 1110 A 593 LYS HB2 A 595 PHE HD% 1.0 1.9 4.3 1666 1111 A 595 PHE HD% A 588 ILE HG1y 1.0 1.9 6.0 1667 1111 A 595 PHE HD% A 593 LYS HG3 1.0 1.9 6.0 1668 1111 A 594 TYR H A 593 LYS HG3 1.0 1.9 6.0 1669 1112 A 572 THR HG2% A 562 PHE HD% 1.0 1.9 6.0 1670 1112 A 572 THR HG2% A 584 TRP HD1 1.0 1.9 6.0 1671 1112 A 588 ILE HG1y A 562 PHE HZ 1.0 1.9 6.0 1672 1112 A 594 TYR HE% A 588 ILE HG1y 1.0 1.9 6.0 1673 1112 A 572 THR HG2% A 584 TRP HH2 1.0 1.9 6.0 1674 1112 A 594 TYR HE% A 593 LYS HG3 1.0 1.9 6.0 1675 1112 A 588 ILE HG1y A 584 TRP HE3 1.0 1.9 6.0 1676 1112 A 562 PHE HD% A 593 LYS HG3 1.0 1.9 6.0 1677 1113 A 570 THR HG2% A 562 PHE HE% 1.0 2.0 6.0 1678 1113 A 566 ILE HD1% A 562 PHE HE% 1.0 2.0 6.0 1679 1113 A 566 ILE HD1% A 600 TYR HE% 1.0 2.0 6.0 1680 1114 A 566 ILE HD1% A 600 TYR HE% 1.0 1.9 4.5 1681 1114 A 594 TYR HBx A 562 PHE HE% 1.0 1.9 4.5 1682 1114 A 594 TYR HBy A 562 PHE HE% 1.0 1.9 4.5 1683 1115 A 553 VAL HG1% A 562 PHE HD% 1.0 2.0 5.2 1684 1115 A 553 VAL HG1% A 584 TRP HD1 1.0 2.0 5.2 1685 1115 A 553 VAL HG1% A 584 TRP HH2 1.0 2.0 5.2 1686 1116 A 553 VAL HG1% A 594 TYR HE% 1.0 2.0 6.0 1687 1116 A 553 VAL HG1% A 584 TRP HE3 1.0 2.0 6.0 1688 1116 A 553 VAL HG1% A 584 TRP HD1 1.0 2.0 6.0 1689 1116 A 553 VAL HG1% A 584 TRP HH2 1.0 2.0 6.0 1690 1116 A 553 VAL HG1% A 562 PHE HD% 1.0 2.0 6.0 1691 1117 A 553 VAL HG2% A 550 TYR HD% 1.0 2.0 5.0 1692 1117 A 553 VAL HG2% A 582 TRP HE3 1.0 2.0 5.0 1693 1118 A 583 VAL HG1% A 584 TRP HD1 1.0 1.8 3.4 1694 1118 A 571 VAL HG1% A 562 PHE HD% 1.0 1.8 3.4 1695 1118 A 571 VAL HG1% A 562 PHE HZ 1.0 1.8 3.4 1696 1118 A 571 VAL HG1% A 584 TRP HE3 1.0 1.8 3.4 1697 1118 A 571 VAL HG1% A 584 TRP HD1 1.0 1.8 3.4 1698 1118 A 583 VAL HG2% A 584 TRP HD1 1.0 1.8 3.4 1699 1119 A 552 VAL HG2% A 584 TRP HD1 1.0 0.0 6.0 1700 1119 A 552 VAL HG1% A 584 TRP HD1 1.0 0.0 6.0 1701 1119 A 552 VAL HG1% A 584 TRP HE3 1.0 0.0 6.0 1702 1119 A 574 VAL HG2% A 584 TRP HD1 1.0 0.0 6.0 1703 1119 A 552 VAL HG2% A 584 TRP HE3 1.0 0.0 6.0 1704 1119 A 574 VAL HG1% A 584 TRP HD1 1.0 0.0 6.0 1705 1119 A 552 VAL HG2% A 594 TYR HE% 1.0 0.0 6.0 1706 1119 A 552 VAL HG1% A 594 TYR HE% 1.0 0.0 6.0 1707 1120 A 594 TYR HBx A 594 TYR HE% 1.0 1.9 4.1 1708 1120 A 594 TYR HBx A 584 TRP HH2 1.0 1.9 4.1 1709 1120 A 594 TYR HBx A 562 PHE HD% 1.0 1.9 4.1 1710 1120 A 594 TYR HBx A 562 PHE HZ 1.0 1.9 4.1 1711 1120 A 594 TYR HBy A 594 TYR HE% 1.0 1.9 4.1 1712 1120 A 594 TYR HBy A 562 PHE HZ 1.0 1.9 4.1 1713 1120 A 594 TYR HBy A 562 PHE HD% 1.0 1.9 4.1 1714 1120 A 594 TYR HBy A 584 TRP HH2 1.0 1.9 4.1 1715 1120 A 594 TYR HBx A 584 TRP HE3 1.0 1.9 4.1 1716 1120 A 594 TYR HBy A 584 TRP HE3 1.0 1.9 4.1 1717 1121 A 561 ALA HB% A 562 PHE HD% 1.0 1.6 2.8 1718 1121 A 587 THR HG2% A 594 TYR HE% 1.0 1.6 2.8 1719 1121 A 587 THR HG2% A 562 PHE HZ 1.0 1.6 2.8 1720 1121 A 587 THR HG2% A 584 TRP HE3 1.0 1.6 2.8 1721 1122 A 552 VAL HG1% A 575 TYR HE% 1.0 1.9 6.0 1722 1122 A 574 VAL HG1% A 575 TYR HE% 1.0 1.9 6.0 1723 1122 A 552 VAL HG2% A 575 TYR HE% 1.0 1.9 6.0 1724 1123 A 595 PHE HE% A 565 PRO HGx 1.0 1.9 4.3 1725 1123 A 553 VAL HB A 582 TRP HD1 1.0 1.9 4.3 1726 1123 A 595 PHE HZ A 593 LYS HB3 1.0 1.9 4.3 1727 1123 A 595 PHE HE% A 593 LYS HB3 1.0 1.9 4.3 1728 1123 A 595 PHE HE% A 593 LYS HB2 1.0 1.9 4.3 1729 1123 A 595 PHE HZ A 593 LYS HB2 1.0 1.9 4.3 1730 1124 A 564 CYS HBx A 595 PHE HE% 1.0 1.9 5.3 1731 1124 A 564 CYS HBx A 596 HIS HE1 1.0 1.9 5.3 1732 1125 A 596 HIS HE1 A 569 GLU HGx 1.0 1.9 6.0 1733 1125 A 595 PHE HZ A 565 PRO HBy 1.0 1.9 6.0 1734 1125 A 596 HIS HE1 A 569 GLU HGy 1.0 1.9 6.0 1735 1125 A 595 PHE HE% A 565 PRO HBy 1.0 1.9 6.0 1736 1125 A 569 GLU HBx A 596 HIS HE1 1.0 1.9 6.0 1737 1126 A 572 THR HA A 574 VAL H 1.0 2.0 6.0 1738 1126 A 583 VAL H A 584 TRP HA 1.0 2.0 6.0 1739 1126 A 574 VAL H A 584 TRP HA 1.0 2.0 6.0 1740 1127 A 571 VAL HG1% A 584 TRP HA 1.0 1.8 4.2 1741 1127 A 571 VAL HG1% A 572 THR HA 1.0 1.8 4.2 1742 1127 A 583 VAL HG2% A 584 TRP HA 1.0 1.8 4.2 1743 1127 A 583 VAL HG1% A 584 TRP HA 1.0 1.8 4.2 1744 1128 A 546 ILE HD11 A 547 ARG HBy 1.0 2.0 6.0 1745 1128 A 546 ILE HD11 A 585 LYS HBy 1.0 2.0 6.0 1746 1128 A 546 ILE HD11 A 547 ARG HBx 1.0 2.0 6.0 1747 1129 A 590 VAL HG1% A 600 TYR HE% 1.0 1.7 3.3 1748 1129 A 571 VAL HG1% A 562 PHE HE% 1.0 1.7 3.3 1749 1130 A 600 TYR HA A 600 TYR HE% 1.0 2.0 5.6 1750 1130 A 562 PHE HE% A 584 TRP HBy 1.0 2.0 5.6 1751 1131 A 596 HIS HBy A 562 PHE HE% 1.0 2.0 4.8 1752 1131 A 562 PHE HE% A 565 PRO HDx 1.0 2.0 4.8 1753 1132 A 561 ALA HB% A 562 PHE HE% 1.0 1.8 3.4 1754 1132 A 587 THR HG2% A 562 PHE HE% 1.0 1.8 3.4 1755 1133 A 597 SER H A 562 PHE HZ 1.0 2.0 4.8 1756 1133 A 562 PHE H A 562 PHE HZ 1.0 2.0 4.8 1757 1133 A 562 PHE H A 584 TRP HH2 1.0 2.0 4.8 1758 1133 A 562 PHE H A 562 PHE HD% 1.0 2.0 4.8 1759 1134 A 597 SER H A 562 PHE HE% 1.0 1.9 6.0 1760 1134 A 572 THR H A 562 PHE HE% 1.0 1.9 6.0 1761 1134 A 562 PHE H A 562 PHE HE% 1.0 1.9 6.0 1762 1135 A 584 TRP HBx A 594 TYR HD% 1.0 1.9 6.0 1763 1135 A 554 PRO HDy A 594 TYR HD% 1.0 1.9 6.0 1764 1136 A 595 PHE HD% A 600 TYR HD% 1.0 2.0 6.0 1765 1136 A 550 TYR HA A 550 TYR HD% 1.0 2.0 6.0 1766 1137 A 594 TYR H A 562 PHE HE% 1.0 2.0 5.6 1767 1137 A 595 PHE HD% A 562 PHE HE% 1.0 2.0 5.6 1768 1138 A 600 TYR H A 600 TYR HE% 1.0 2.0 5.8 1769 1138 A 564 CYS H A 562 PHE HE% 1.0 2.0 5.8 1770 1138 A 595 PHE H A 562 PHE HE% 1.0 2.0 5.8 1771 1139 A 562 PHE H A 570 THR HA 1.0 1.8 3.8 1772 1139 A 550 TYR H A 549 LYS HA 1.0 1.8 3.8 1773 1140 A 553 VAL HG1% A 574 VAL HG1% 1.0 2.0 5.6 1774 1140 A 553 VAL HG1% A 574 VAL HG2% 1.0 2.0 5.6 1775 1140 A 552 VAL HG2% A 553 VAL HG1% 1.0 2.0 5.6 1776 1141 A 553 VAL HG1% A 554 PRO HGy 1.0 1.9 4.3 1777 1141 A 553 VAL HG1% A 560 MET HGx 1.0 1.9 4.3 1778 1142 A 553 VAL HG1% A 554 PRO HBx 1.0 1.8 3.8 1779 1142 A 553 VAL HG1% A 560 MET HBy 1.0 1.8 3.8 1780 1143 A 553 VAL HG1% A 582 TRP HBx 1.0 2.0 4.8 1781 1143 A 553 VAL HG1% A 554 PRO HDx 1.0 2.0 4.8 1782 1144 A 553 VAL HG2% A 574 VAL H 1.0 1.9 4.9 1783 1144 A 553 VAL HG2% A 583 VAL H 1.0 1.9 4.9 1784 1145 A 553 VAL HG2% A 554 PRO HDx 1.0 1.8 4.0 1785 1145 A 553 VAL HG2% A 582 TRP HBx 1.0 1.8 4.0 1786 1146 A 596 HIS HE1 A 566 ILE HG1y 1.0 1.8 6.0 1787 1146 A 595 PHE HZ A 566 ILE HG1y 1.0 1.8 6.0 1788 1146 A 552 VAL HB A 582 TRP HD1 1.0 1.8 6.0 1789 1146 A 554 PRO HGx A 557 SER H 1.0 1.8 6.0 1790 1147 A 563 LYS HGx A 568 LYS H 1.0 2.0 5.8 1791 1147 A 563 LYS HGy A 568 LYS H 1.0 2.0 5.8 1792 1147 A 570 THR HG2% A 572 THR H 1.0 2.0 5.8 1793 1147 A 562 PHE H A 570 THR HG2% 1.0 2.0 5.8 1794 1148 A 587 THR HG2% A 590 VAL HG2% 1.0 2.0 6.0 1795 1148 A 587 THR HG2% A 571 VAL HB 1.0 2.0 6.0 1796 1148 A 561 ALA HB% A 571 VAL HB 1.0 2.0 6.0 1797 1149 A 561 ALA HB% A 571 VAL HG2% 1.0 2.0 6.0 1798 1149 A 587 THR HG2% A 571 VAL HG2% 1.0 2.0 6.0 1799 1150 A 571 VAL HG2% A 588 ILE HG1y 1.0 0.0 6.0 1800 1150 A 571 VAL HG2% A 572 THR HG2% 1.0 0.0 6.0 1801 1151 A 571 VAL HG2% A 584 TRP HA 1.0 2.0 5.8 1802 1151 A 571 VAL HG2% A 572 THR HA 1.0 2.0 5.8 1803 1152 A 582 TRP H A 554 PRO HBx 1.0 2.0 4.8 1804 1152 A 560 MET HBy A 582 TRP H 1.0 2.0 4.8 1805 1152 A 577 GLU HGy A 582 TRP H 1.0 2.0 4.8 1806 1152 A 573 GLY H A 560 MET HBy 1.0 2.0 4.8 1807 1153 A 588 ILE H A 584 TRP HZ2 1.0 0.0 6.0 1808 1153 A 573 GLY H A 584 TRP HZ2 1.0 0.0 6.0 1809 1154 A 583 VAL H A 584 TRP HD1 1.0 2.0 5.2 1810 1154 A 574 VAL H A 584 TRP HD1 1.0 2.0 5.2 1811 1155 A 583 VAL H A 550 TYR HD% 1.0 2.0 5.0 1812 1155 A 574 VAL H A 582 TRP HE3 1.0 2.0 5.0 1813 1155 A 583 VAL H A 582 TRP HE3 1.0 2.0 5.0 1814 1156 A 574 VAL H A 575 TYR HD% 1.0 2.0 4.8 1815 1156 A 583 VAL H A 575 TYR HD% 1.0 2.0 4.8 1816 1157 A 552 VAL HG1% A 575 TYR HD% 1.0 2.0 6.0 1817 1157 A 574 VAL HG2% A 575 TYR HD% 1.0 2.0 6.0 1818 1157 A 574 VAL HG1% A 575 TYR HD% 1.0 2.0 6.0 1819 1158 A 580 GLY H A 575 TYR HE% 1.0 2.0 5.4 1820 1158 A 576 ASP H A 575 TYR HE% 1.0 2.0 5.4 1821 1159 A 571 VAL HG1% A 582 TRP HH2 1.0 0.0 6.0 1822 1159 A 571 VAL HG1% A 582 TRP HZ3 1.0 0.0 6.0 1823 1159 A 583 VAL HG2% A 582 TRP HH2 1.0 0.0 6.0 1824 1159 A 583 VAL HG2% A 582 TRP HZ3 1.0 0.0 6.0 1825 1160 A 590 VAL H A 594 TYR HE% 1.0 2.0 5.8 1826 1160 A 590 VAL H A 584 TRP HH2 1.0 2.0 5.8 1827 1160 A 592 GLY H A 594 TYR HE% 1.0 2.0 5.8 1828 1160 A 590 VAL H A 562 PHE HD% 1.0 2.0 5.8 1829 1160 A 590 VAL H A 584 TRP HE3 1.0 2.0 5.8 1830 1160 A 590 VAL H A 562 PHE HZ 1.0 2.0 5.8 1831 1161 A 590 VAL HG2% A 593 LYS HG2 1.0 2.0 4.8 1832 1161 A 590 VAL HG2% A 603 THR HG2% 1.0 2.0 4.8 1833 1161 A 590 VAL HG2% A 551 VAL HG1% 1.0 2.0 4.8 1834 1161 A 590 VAL HG2% A 551 VAL HG2% 1.0 2.0 4.8 1835 1161 A 571 VAL HB A 551 VAL HG2% 1.0 2.0 4.8 1836 1161 A 571 VAL HB A 551 VAL HG1% 1.0 2.0 4.8 1837 1162 A 590 VAL HG2% A 593 LYS HB2 1.0 2.0 6.0 1838 1162 A 590 VAL HG2% A 589 GLU HGx 1.0 2.0 6.0 1839 1162 A 590 VAL HG2% A 588 ILE HB 1.0 2.0 6.0 1840 1163 A 551 VAL HA A 594 TYR HD% 1.0 2.0 5.8 1841 1163 A 554 PRO HA A 594 TYR HD% 1.0 2.0 5.8 1842 1163 A 588 ILE HA A 594 TYR HD% 1.0 2.0 5.8 1843 1164 A 594 TYR HE% A 588 ILE HA 1.0 2.0 5.6 1844 1164 A 588 ILE HA A 584 TRP HE3 1.0 2.0 5.6 1845 1164 A 551 VAL HA A 584 TRP HD1 1.0 2.0 5.6 1846 1164 A 588 ILE HA A 562 PHE HZ 1.0 2.0 5.6 1847 1164 A 594 TYR HE% A 554 PRO HA 1.0 2.0 5.6 1848 1164 A 562 PHE HD% A 565 PRO HDy 1.0 2.0 5.6 1849 1164 A 594 TYR HE% A 551 VAL HA 1.0 2.0 5.6 1850 1164 A 551 VAL HA A 584 TRP HE3 1.0 2.0 5.6 1851 1164 A 562 PHE HD% A 565 PRO HA 1.0 2.0 5.6 1852 1164 A 554 PRO HA A 584 TRP HH2 1.0 2.0 5.6 1853 1164 A 565 PRO HDy A 562 PHE HZ 1.0 2.0 5.6 1854 1165 A 551 VAL H A 594 TYR HE% 1.0 1.9 6.0 1855 1165 A 570 THR H A 562 PHE HD% 1.0 1.9 6.0 1856 1165 A 566 ILE H A 562 PHE HZ 1.0 1.9 6.0 1857 1165 A 551 VAL H A 584 TRP HD1 1.0 1.9 6.0 1858 1165 A 551 VAL H A 584 TRP HE3 1.0 1.9 6.0 1859 1166 A 553 VAL H A 584 TRP HE3 1.0 2.0 5.8 1860 1166 A 553 VAL H A 584 TRP HD1 1.0 2.0 5.8 1861 1166 A 589 GLU H A 594 TYR HE% 1.0 2.0 5.8 1862 1166 A 563 LYS H A 562 PHE HD% 1.0 2.0 5.8 1863 1167 A 575 TYR HBy A 582 TRP HD1 1.0 1.9 4.5 1864 1167 A 582 TRP HD1 A 581 GLU HBx 1.0 1.9 4.5 1865 1167 A 586 ASN HD2x A 585 LYS HBy 1.0 1.9 4.5 1866 1167 A 581 GLU HBy A 582 TRP HD1 1.0 1.9 4.5 1867 1168 A 550 TYR HBx A 562 PHE HE% 1.0 2.0 6.0 1868 1168 A 591 ASN HBy A 600 TYR HE% 1.0 2.0 6.0 1869 1169 A 550 TYR HA A 584 TRP HE3 1.0 1.9 6.0 1870 1169 A 550 TYR HE% A 550 TYR HA 1.0 1.9 6.0 1871 1170 A 590 VAL H A 593 LYS H 1.0 1.7 3.3 1872 1170 A 593 LYS H A 592 GLY H 1.0 1.7 3.3 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_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 546 ILE C A 547 ARG N A 547 ARG CA A 547 ARG C 1.0 -89.080 -68.194 PHI 2 2 A 547 ARG N A 547 ARG CA A 547 ARG C A 548 GLY N 1.0 -20.673 -1.273 PSI 3 3 A 547 ARG C A 548 GLY N A 548 GLY CA A 548 GLY C 1.0 85.446 101.364 PHI 4 4 A 548 GLY N A 548 GLY CA A 548 GLY C A 549 LYS N 1.0 -4.224 11.094 PSI 5 5 A 548 GLY C A 549 LYS N A 549 LYS CA A 549 LYS C 1.0 -80.391 -64.589 PHI 6 6 A 549 LYS N A 549 LYS CA A 549 LYS C A 550 TYR N 1.0 132.808 149.422 PSI 7 7 A 549 LYS C A 550 TYR N A 550 TYR CA A 550 TYR C 1.0 -142.464 -112.584 PHI 8 8 A 550 TYR N A 550 TYR CA A 550 TYR C A 551 VAL N 1.0 137.103 157.703 PSI 9 9 A 550 TYR C A 551 VAL N A 551 VAL CA A 551 VAL C 1.0 -142.854 -121.542 PHI 10 10 A 551 VAL N A 551 VAL CA A 551 VAL C A 552 VAL N 1.0 134.004 152.758 PSI 11 11 A 551 VAL C A 552 VAL N A 552 VAL CA A 552 VAL C 1.0 -95.305 -61.695 PHI 12 12 A 552 VAL N A 552 VAL CA A 552 VAL C A 553 VAL N 1.0 118.668 137.192 PSI 13 13 A 552 VAL C A 553 VAL N A 553 VAL CA A 553 VAL C 1.0 -76.982 -59.542 PHI 14 14 A 553 VAL N A 553 VAL CA A 553 VAL C A 554 PRO N 1.0 121.850 142.346 PSI 15 15 A 553 VAL C A 554 PRO N A 554 PRO CA A 554 PRO C 1.0 -71.617 -57.249 PHI 16 16 A 554 PRO N A 554 PRO CA A 554 PRO C A 555 GLU N 1.0 138.268 160.180 PSI 17 17 A 560 MET C A 561 ALA N A 561 ALA CA A 561 ALA C 1.0 -144.035 -116.677 PHI 18 18 A 561 ALA N A 561 ALA CA A 561 ALA C A 562 PHE N 1.0 146.019 161.253 PSI 19 19 A 561 ALA C A 562 PHE N A 562 PHE CA A 562 PHE C 1.0 -156.897 -128.791 PHI 20 20 A 562 PHE N A 562 PHE CA A 562 PHE C A 563 LYS N 1.0 143.580 163.132 PSI 21 21 A 562 PHE C A 563 LYS N A 563 LYS CA A 563 LYS C 1.0 -115.068 -89.578 PHI 22 22 A 563 LYS N A 563 LYS CA A 563 LYS C A 564 CYS N 1.0 112.113 131.975 PSI 23 23 A 563 LYS C A 564 CYS N A 564 CYS CA A 564 CYS C 1.0 -108.606 -63.032 PHI 24 24 A 564 CYS N A 564 CYS CA A 564 CYS C A 565 PRO N 1.0 115.527 144.871 PSI 25 25 A 564 CYS C A 565 PRO N A 565 PRO CA A 565 PRO C 1.0 -71.440 -58.764 PHI 26 26 A 565 PRO N A 565 PRO CA A 565 PRO C A 566 ILE N 1.0 -38.852 -18.088 PSI 27 27 A 565 PRO C A 566 ILE N A 566 ILE CA A 566 ILE C 1.0 -96.069 -72.225 PHI 28 28 A 566 ILE N A 566 ILE CA A 566 ILE C A 567 CYS N 1.0 -54.931 -38.115 PSI 29 29 A 566 ILE C A 567 CYS N A 567 CYS CA A 567 CYS C 1.0 -129.082 -105.632 PHI 30 30 A 567 CYS N A 567 CYS CA A 567 CYS C A 568 LYS N 1.0 -12.830 -0.308 PSI 31 31 A 567 CYS C A 568 LYS N A 568 LYS CA A 568 LYS C 1.0 59.861 69.823 PHI 32 32 A 568 LYS N A 568 LYS CA A 568 LYS C A 569 GLU N 1.0 11.230 28.736 PSI 33 33 A 568 LYS C A 569 GLU N A 569 GLU CA A 569 GLU C 1.0 -106.909 -66.209 PHI 34 34 A 569 GLU N A 569 GLU CA A 569 GLU C A 570 THR N 1.0 135.979 157.487 PSI 35 35 A 569 GLU C A 570 THR N A 570 THR CA A 570 THR C 1.0 -94.833 -68.963 PHI 36 36 A 570 THR N A 570 THR CA A 570 THR C A 571 VAL N 1.0 118.763 132.699 PSI 37 37 A 570 THR C A 571 VAL N A 571 VAL CA A 571 VAL C 1.0 -111.665 -82.741 PHI 38 38 A 571 VAL N A 571 VAL CA A 571 VAL C A 572 THR N 1.0 117.589 132.569 PSI 39 39 A 571 VAL C A 572 THR N A 572 THR CA A 572 THR C 1.0 -131.704 -105.700 PHI 40 40 A 572 THR N A 572 THR CA A 572 THR C A 573 GLY N 1.0 124.983 157.249 PSI 41 41 A 572 THR C A 573 GLY N A 573 GLY CA A 573 GLY C 1.0 -185.455 -134.347 PHI 42 42 A 573 GLY N A 573 GLY CA A 573 GLY C A 574 VAL N 1.0 156.402 198.506 PSI 43 43 A 573 GLY C A 574 VAL N A 574 VAL CA A 574 VAL C 1.0 -135.093 -112.039 PHI 44 44 A 574 VAL N A 574 VAL CA A 574 VAL C A 575 TYR N 1.0 133.287 155.171 PSI 45 45 A 574 VAL C A 575 TYR N A 575 TYR CA A 575 TYR C 1.0 -84.053 -65.949 PHI 46 46 A 575 TYR N A 575 TYR CA A 575 TYR C A 576 ASP N 1.0 120.044 135.862 PSI 47 47 A 575 TYR C A 576 ASP N A 576 ASP CA A 576 ASP C 1.0 -111.167 -92.533 PHI 48 48 A 576 ASP N A 576 ASP CA A 576 ASP C A 577 GLU N 1.0 97.710 113.174 PSI 49 49 A 576 ASP C A 577 GLU N A 577 GLU CA A 577 GLU C 1.0 -69.284 -58.808 PHI 50 50 A 577 GLU N A 577 GLU CA A 577 GLU C A 578 GLU N 1.0 -37.845 -23.899 PSI 51 51 A 577 GLU C A 578 GLU N A 578 GLU CA A 578 GLU C 1.0 -75.855 -62.569 PHI 52 52 A 578 GLU N A 578 GLU CA A 578 GLU C A 579 SER N 1.0 -47.343 -27.637 PSI 53 53 A 578 GLU C A 579 SER N A 579 SER CA A 579 SER C 1.0 -104.867 -83.551 PHI 54 54 A 579 SER N A 579 SER CA A 579 SER C A 580 GLY N 1.0 -27.882 -11.748 PSI 55 55 A 579 SER C A 580 GLY N A 580 GLY CA A 580 GLY C 1.0 61.249 78.917 PHI 56 56 A 580 GLY N A 580 GLY CA A 580 GLY C A 581 GLU N 1.0 15.093 34.877 PSI 57 57 A 580 GLY C A 581 GLU N A 581 GLU CA A 581 GLU C 1.0 -145.386 -101.000 PHI 58 58 A 581 GLU N A 581 GLU CA A 581 GLU C A 582 TRP N 1.0 139.353 160.719 PSI 59 59 A 581 GLU C A 582 TRP N A 582 TRP CA A 582 TRP C 1.0 -96.728 -66.644 PHI 60 60 A 582 TRP N A 582 TRP CA A 582 TRP C A 583 VAL N 1.0 131.135 154.731 PSI 61 61 A 582 TRP C A 583 VAL N A 583 VAL CA A 583 VAL C 1.0 -139.318 -113.690 PHI 62 62 A 583 VAL N A 583 VAL CA A 583 VAL C A 584 TRP N 1.0 124.809 156.997 PSI 63 63 A 583 VAL C A 584 TRP N A 584 TRP CA A 584 TRP C 1.0 -127.771 -98.081 PHI 64 64 A 584 TRP N A 584 TRP CA A 584 TRP C A 585 LYS N 1.0 104.266 137.428 PSI 65 65 A 584 TRP C A 585 LYS N A 585 LYS CA A 585 LYS C 1.0 -135.757 -76.031 PHI 66 66 A 585 LYS N A 585 LYS CA A 585 LYS C A 586 ASN N 1.0 126.237 150.819 PSI 67 67 A 585 LYS C A 586 ASN N A 586 ASN CA A 586 ASN C 1.0 45.686 54.584 PHI 68 68 A 586 ASN N A 586 ASN CA A 586 ASN C A 587 THR N 1.0 42.346 57.428 PSI 69 69 A 586 ASN C A 587 THR N A 587 THR CA A 587 THR C 1.0 -141.887 -115.403 PHI 70 70 A 587 THR N A 587 THR CA A 587 THR C A 588 ILE N 1.0 141.563 169.045 PSI 71 71 A 587 THR C A 588 ILE N A 588 ILE CA A 588 ILE C 1.0 -140.976 -111.044 PHI 72 72 A 588 ILE N A 588 ILE CA A 588 ILE C A 589 GLU N 1.0 122.285 150.551 PSI 73 73 A 588 ILE C A 589 GLU N A 589 GLU CA A 589 GLU C 1.0 -124.925 -92.669 PHI 74 74 A 589 GLU N A 589 GLU CA A 589 GLU C A 590 VAL N 1.0 119.609 139.183 PSI 75 75 A 589 GLU C A 590 VAL N A 590 VAL CA A 590 VAL C 1.0 -134.923 -125.587 PHI 76 76 A 590 VAL N A 590 VAL CA A 590 VAL C A 591 ASN N 1.0 119.379 132.811 PSI 77 77 A 590 VAL C A 591 ASN N A 591 ASN CA A 591 ASN C 1.0 49.047 58.021 PHI 78 78 A 591 ASN N A 591 ASN CA A 591 ASN C A 592 GLY N 1.0 34.227 45.043 PSI 79 79 A 591 ASN C A 592 GLY N A 592 GLY CA A 592 GLY C 1.0 73.349 84.743 PHI 80 80 A 592 GLY N A 592 GLY CA A 592 GLY C A 593 LYS N 1.0 -0.994 13.290 PSI 81 81 A 592 GLY C A 593 LYS N A 593 LYS CA A 593 LYS C 1.0 -127.890 -109.534 PHI 82 82 A 593 LYS N A 593 LYS CA A 593 LYS C A 594 TYR N 1.0 139.399 151.613 PSI 83 83 A 593 LYS C A 594 TYR N A 594 TYR CA A 594 TYR C 1.0 -104.218 -77.946 PHI 84 84 A 594 TYR N A 594 TYR CA A 594 TYR C A 595 PHE N 1.0 122.424 140.418 PSI 85 85 A 594 TYR C A 595 PHE N A 595 PHE CA A 595 PHE C 1.0 -144.748 -126.162 PHI 86 86 A 595 PHE N A 595 PHE CA A 595 PHE C A 596 HIS N 1.0 145.288 164.024 PSI 87 87 A 595 PHE C A 596 HIS N A 596 HIS CA A 596 HIS C 1.0 -83.149 -58.159 PHI 88 88 A 596 HIS N A 596 HIS CA A 596 HIS C A 597 SER N 1.0 130.745 152.581 PSI 89 89 A 596 HIS C A 597 SER N A 597 SER CA A 597 SER C 1.0 -64.743 -54.125 PHI 90 90 A 597 SER N A 597 SER CA A 597 SER C A 598 THR N 1.0 -41.953 -29.979 PSI 91 91 A 597 SER C A 598 THR N A 598 THR CA A 598 THR C 1.0 -68.605 -59.933 PHI 92 92 A 598 THR N A 598 THR CA A 598 THR C A 599 CYS N 1.0 -45.911 -31.889 PSI 93 93 A 598 THR C A 599 CYS N A 599 CYS CA A 599 CYS C 1.0 -72.904 -64.366 PHI 94 94 A 599 CYS N A 599 CYS CA A 599 CYS C A 600 TYR N 1.0 -41.991 -32.295 PSI 95 95 A 599 CYS C A 600 TYR N A 600 TYR CA A 600 TYR C 1.0 -67.170 -57.924 PHI 96 96 A 600 TYR N A 600 TYR CA A 600 TYR C A 601 HIS N 1.0 -48.368 -36.936 PSI 97 97 A 600 TYR C A 601 HIS N A 601 HIS CA A 601 HIS C 1.0 -72.679 -60.211 PHI 98 98 A 601 HIS N A 601 HIS CA A 601 HIS C A 602 GLU N 1.0 -41.095 -27.505 PSI 99 99 A 601 HIS C A 602 GLU N A 602 GLU CA A 602 GLU C 1.0 -69.634 -62.130 PHI 100 100 A 602 GLU N A 602 GLU CA A 602 GLU C A 603 THR N 1.0 -35.018 -22.976 PSI 101 101 A 602 GLU C A 603 THR N A 603 THR CA A 603 THR C 1.0 -86.482 -67.368 PHI 102 102 A 603 THR N A 603 THR CA A 603 THR C A 604 SER N 1.0 -26.642 -1.168 PSI 103 103 A 547 ARG N A 547 ARG CA A 547 ARG CB A 547 ARG CG 1.0 -74.100 -57.700 CHI1 104 104 A 549 LYS N A 549 LYS CA A 549 LYS CB A 549 LYS CG 1.0 -69.200 -58.800 CHI1 105 105 A 552 VAL N A 552 VAL CA A 552 VAL CB A 552 VAL CG1 1.0 -185.400 -174.200 CHI1 106 106 A 553 VAL N A 553 VAL CA A 553 VAL CB A 553 VAL CG1 1.0 171.900 187.900 CHI1 107 107 A 556 THR N A 556 THR CA A 556 THR CB A 556 THR OG1 1.0 50.700 69.100 CHI1 108 108 A 558 GLN N A 558 GLN CA A 558 GLN CB A 558 GLN CG 1.0 -76.100 -57.500 CHI1 109 109 A 560 MET N A 560 MET CA A 560 MET CB A 560 MET CG 1.0 -69.300 -54.900 CHI1 110 110 A 562 PHE N A 562 PHE CA A 562 PHE CB A 562 PHE CG 1.0 55.900 72.100 CHI1 111 111 A 563 LYS N A 563 LYS CA A 563 LYS CB A 563 LYS CG 1.0 -184.800 -173.400 CHI1 112 112 A 564 CYS N A 564 CYS CA A 564 CYS CB A 564 CYS SG 1.0 166.500 183.900 CHI1 113 113 A 566 ILE N A 566 ILE CA A 566 ILE CB A 566 ILE CG1 1.0 -66.100 -52.500 CHI1 114 114 A 567 CYS N A 567 CYS CA A 567 CYS CB A 567 CYS SG 1.0 64.000 77.400 CHI1 115 115 A 570 THR N A 570 THR CA A 570 THR CB A 570 THR OG1 1.0 -70.300 -55.900 CHI1 116 116 A 571 VAL N A 571 VAL CA A 571 VAL CB A 571 VAL CG1 1.0 -180.400 -168.600 CHI1 117 117 A 572 THR N A 572 THR CA A 572 THR CB A 572 THR OG1 1.0 50.500 70.700 CHI1 118 118 A 574 VAL N A 574 VAL CA A 574 VAL CB A 574 VAL CG1 1.0 -190.200 -163.800 CHI1 119 119 A 575 TYR N A 575 TYR CA A 575 TYR CB A 575 TYR CG 1.0 171.500 186.100 CHI1 120 120 A 576 ASP N A 576 ASP CA A 576 ASP CB A 576 ASP CG 1.0 -182.800 -170.000 CHI1 121 121 A 579 SER N A 579 SER CA A 579 SER CB A 579 SER OG 1.0 59.400 74.400 CHI1 122 122 A 582 TRP N A 582 TRP CA A 582 TRP CB A 582 TRP CG 1.0 -73.600 -58.000 CHI1 123 123 A 583 VAL N A 583 VAL CA A 583 VAL CB A 583 VAL CG1 1.0 -73.100 -52.500 CHI1 124 124 A 584 TRP N A 584 TRP CA A 584 TRP CB A 584 TRP CG 1.0 -82.500 -50.500 CHI1 125 125 A 586 ASN N A 586 ASN CA A 586 ASN CB A 586 ASN CG 1.0 -72.300 -49.700 CHI1 126 126 A 589 GLU N A 589 GLU CA A 589 GLU CB A 589 GLU CG 1.0 -193.300 -165.900 CHI1 127 127 A 590 VAL N A 590 VAL CA A 590 VAL CB A 590 VAL CG1 1.0 -183.100 -163.500 CHI1 128 128 A 593 LYS N A 593 LYS CA A 593 LYS CB A 593 LYS CG 1.0 -78.800 -57.800 CHI1 129 129 A 594 TYR N A 594 TYR CA A 594 TYR CB A 594 TYR CG 1.0 -80.000 -59.400 CHI1 130 130 A 595 PHE N A 595 PHE CA A 595 PHE CB A 595 PHE CG 1.0 -70.300 -52.700 CHI1 131 131 A 599 CYS N A 599 CYS CA A 599 CYS CB A 599 CYS SG 1.0 -82.200 -60.200 CHI1 132 132 A 600 TYR N A 600 TYR CA A 600 TYR CB A 600 TYR CG 1.0 171.900 180.100 CHI1 133 133 A 588 ILE CA A 588 ILE CB A 588 ILE CG1 A 588 ILE CD1 1.0 165.000 195.000 CHI2 134 134 A 551 VAL N A 551 VAL CA A 551 VAL CB A 551 VAL CG1 1.0 165.000 195.000 CHI1 stop_ save_ save_CNS/XPLOR_dihedral_5 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_5 _nef_dihedral_restraint_list.potential_type . _nef_dihedral_restraint_list.restraint_origin . save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.num_dimensions 2 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.folding 1 Hz 1H 10000.000 'not observed' 2 Hz 1H 10000.000 'not observed' stop_ save_ save_spectral_peak_list_2 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_2 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.folding 1 Hz 15N 2777.778 aliased 2 Hz 1H 9803.922 'not observed' 3 Hz 1H 9803.922 'not observed' stop_ save_ save_spectral_peak_list_3 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_3 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.folding 1 Hz 13C 15105.740 aliased 2 Hz 1H 10000.000 'not observed' 3 Hz 1H 10000.000 'not observed' stop_ save_