data_nef_c25953_2nax 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 2NAX 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 64 HIS ND1 2 1 ZN ZN 1 35 CYS SG 2 1 ZN ZN 1 32 CYS SG 2 1 ZN ZN 1 67 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 533 GLY start . false 2 A 534 GLY middle . false 3 A 535 SER middle . . 4 A 536 GLU middle . . 5 A 537 PHE middle . . 6 A 538 SER middle . . 7 A 539 ASP middle . . 8 A 540 ARG middle . . 9 A 541 SER middle . . 10 A 542 ASN middle . . 11 A 543 GLU middle . . 12 A 544 LEU middle . . 13 A 545 GLU middle . . 14 A 546 ILE middle . . 15 A 547 ARG middle . . 16 A 548 GLY middle . false 17 A 549 LYS middle . . 18 A 550 TYR middle . . 19 A 551 VAL middle . . 20 A 552 VAL middle . . 21 A 553 VAL middle . . 22 A 554 PRO middle . false 23 A 555 GLU middle . . 24 A 556 THR middle . . 25 A 557 SER middle . . 26 A 558 GLN middle . . 27 A 559 ASP middle . . 28 A 560 MET middle . . 29 A 561 ALA middle . . 30 A 562 PHE middle . . 31 A 563 LYS middle . . 32 A 564 CYS middle -HG . 33 A 565 PRO middle . false 34 A 566 ILE middle . . 35 A 567 CYS middle -HG . 36 A 568 LYS middle . . 37 A 569 GLU middle . . 38 A 570 THR middle . . 39 A 571 VAL middle . . 40 A 572 THR middle . . 41 A 573 GLY middle . false 42 A 574 VAL middle . . 43 A 575 TYR middle . . 44 A 576 ASP middle . . 45 A 577 GLU middle . . 46 A 578 GLU middle . . 47 A 579 SER middle . . 48 A 580 GLY middle . false 49 A 581 GLU middle . . 50 A 582 TRP middle . . 51 A 583 VAL middle . . 52 A 584 TRP middle . . 53 A 585 LYS middle . . 54 A 586 ASN middle . . 55 A 587 THR middle . . 56 A 588 ILE middle . . 57 A 589 GLU middle . . 58 A 590 VAL middle . . 59 A 591 ASN middle . . 60 A 592 GLY middle . false 61 A 593 LYS middle . . 62 A 594 TYR middle . . 63 A 595 PHE middle . . 64 A 596 HIS middle -HD1 . 65 A 597 SER middle . . 66 A 598 THR middle . . 67 A 599 CYS middle -HG . 68 A 600 TYR middle . . 69 A 601 HIS middle . . 70 A 602 GLU middle . . 71 A 603 THR middle . . 72 A 604 SER middle . . 73 A 605 GLN middle . . 74 A 606 ASN middle . . 75 A 607 SER middle . . 76 A 608 SER end . . 77 B 1 ZN . . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 535 SER HA H 1 4.465 0.004 A 535 SER HBx H 1 3.842 0.003 A 535 SER C C 13 174.718 0.000 A 535 SER CA C 13 58.323 0.004 A 535 SER CB C 13 63.845 0.007 A 536 GLU H H 1 8.638 0.004 A 536 GLU HA H 1 4.201 0.001 A 536 GLU HBx H 1 1.833 0.003 A 536 GLU HBy H 1 1.872 0.003 A 536 GLU HGy H 1 2.111 0.000 A 536 GLU HGx H 1 2.023 0.000 A 536 GLU C C 13 176.241 0.000 A 536 GLU CA C 13 57.077 0.000 A 536 GLU CB C 13 29.832 0.027 A 536 GLU CG C 13 36.054 0.016 A 536 GLU N N 15 122.899 0.021 A 537 PHE H H 1 8.266 0.006 A 537 PHE HA H 1 4.641 0.001 A 537 PHE HBx H 1 2.988 0.002 A 537 PHE HBy H 1 3.178 0.002 A 537 PHE HDx H 1 7.240 0.000 A 537 PHE HDy H 1 7.240 0.000 A 537 PHE C C 13 176.005 0.000 A 537 PHE CA C 13 57.804 0.052 A 537 PHE CB C 13 39.450 0.012 A 537 PHE N N 15 120.390 0.002 A 538 SER H H 1 8.194 0.006 A 538 SER HA H 1 4.399 0.003 A 538 SER HBx H 1 3.841 0.000 A 538 SER HBy H 1 3.841 0.000 A 538 SER C C 13 174.167 0.000 A 538 SER CA C 13 58.437 0.030 A 538 SER CB C 13 63.956 0.011 A 538 SER N N 15 117.148 0.049 A 539 ASP H H 1 8.333 0.003 A 539 ASP HA H 1 4.586 0.000 A 539 ASP HBx H 1 2.710 0.002 A 539 ASP HBy H 1 2.715 0.000 A 539 ASP C C 13 176.496 0.000 A 539 ASP CA C 13 54.471 0.025 A 539 ASP CB C 13 41.021 0.040 A 539 ASP N N 15 122.404 0.011 A 540 ARG H H 1 8.293 0.004 A 540 ARG HA H 1 4.363 0.000 A 540 ARG HBx H 1 1.762 0.002 A 540 ARG HBy H 1 1.930 0.001 A 540 ARG HDx H 1 3.174 0.000 A 540 ARG HDy H 1 3.174 0.000 A 540 ARG HGx H 1 1.641 0.000 A 540 ARG HGy H 1 1.641 0.000 A 540 ARG C C 13 176.889 0.000 A 540 ARG CA C 13 56.406 0.043 A 540 ARG CB C 13 30.365 0.044 A 540 ARG CD C 13 43.328 0.000 A 540 ARG CG C 13 27.050 0.000 A 540 ARG N N 15 121.337 0.053 A 541 SER H H 1 8.369 0.005 A 541 SER HA H 1 4.319 0.005 A 541 SER HBx H 1 3.882 0.000 A 541 SER C C 13 175.060 0.000 A 541 SER CA C 13 59.655 0.019 A 541 SER CB C 13 63.417 0.002 A 541 SER N N 15 116.606 0.030 A 542 ASN H H 1 8.451 0.006 A 542 ASN HA H 1 4.700 0.002 A 542 ASN HBx H 1 2.828 0.000 A 542 ASN HBy H 1 2.832 0.000 A 542 ASN HD2y H 1 7.688 0.000 A 542 ASN HD2x H 1 6.885 0.004 A 542 ASN C C 13 175.903 0.000 A 542 ASN CA C 13 53.788 0.028 A 542 ASN CB C 13 38.728 0.019 A 542 ASN N N 15 120.759 0.013 A 542 ASN ND2 N 15 112.914 0.019 A 543 GLU H H 1 8.257 0.003 A 543 GLU HA H 1 3.991 0.004 A 543 GLU HBx H 1 2.026 0.000 A 543 GLU HBy H 1 2.029 0.000 A 543 GLU HGx H 1 2.220 0.000 A 543 GLU HGy H 1 2.220 0.000 A 543 GLU C C 13 177.658 0.000 A 543 GLU CA C 13 58.789 0.070 A 543 GLU CB C 13 29.754 0.049 A 543 GLU CG C 13 36.233 0.000 A 543 GLU N N 15 120.886 0.030 A 544 LEU H H 1 8.104 0.004 A 544 LEU HA H 1 4.087 0.002 A 544 LEU HBy H 1 1.738 0.001 A 544 LEU HBx H 1 1.561 0.001 A 544 LEU HDx% H 1 0.913 0.000 A 544 LEU HDy% H 1 0.854 0.000 A 544 LEU HG H 1 1.670 0.000 A 544 LEU C C 13 179.340 0.000 A 544 LEU CA C 13 57.198 0.034 A 544 LEU CB C 13 41.611 0.039 A 544 LEU CDy C 13 24.746 0.040 A 544 LEU CDx C 13 23.387 0.020 A 544 LEU CG C 13 27.135 0.000 A 544 LEU N N 15 119.978 0.028 A 545 GLU H H 1 7.995 0.002 A 545 GLU HA H 1 4.060 0.000 A 545 GLU HBx H 1 2.048 0.000 A 545 GLU HBy H 1 2.059 0.000 A 545 GLU HGy H 1 2.311 0.000 A 545 GLU HGx H 1 2.300 0.000 A 545 GLU C C 13 178.371 0.000 A 545 GLU CA C 13 58.243 0.007 A 545 GLU CB C 13 29.565 0.018 A 545 GLU CG C 13 36.372 0.000 A 545 GLU N N 15 120.432 0.019 A 546 ILE H H 1 7.828 0.004 A 546 ILE HA H 1 3.624 0.001 A 546 ILE HB H 1 1.796 0.011 A 546 ILE HD1% H 1 0.435 0.005 A 546 ILE HG1y H 1 1.236 0.001 A 546 ILE HG1x H 1 0.807 0.006 A 546 ILE HG2% H 1 0.715 0.001 A 546 ILE C C 13 178.857 0.000 A 546 ILE CA C 13 63.839 0.044 A 546 ILE CB C 13 37.654 0.028 A 546 ILE CD1 C 13 11.646 0.007 A 546 ILE CG1 C 13 28.018 0.071 A 546 ILE CG2 C 13 17.576 0.025 A 546 ILE N N 15 119.751 0.017 A 547 ARG H H 1 8.313 0.003 A 547 ARG HA H 1 4.357 0.000 A 547 ARG HBy H 1 1.779 0.000 A 547 ARG HBx H 1 1.776 0.000 A 547 ARG HDy H 1 3.171 0.000 A 547 ARG HDx H 1 3.111 0.000 A 547 ARG HGx H 1 1.624 0.000 A 547 ARG HGy H 1 1.675 0.000 A 547 ARG C C 13 176.842 0.000 A 547 ARG CA C 13 57.875 0.062 A 547 ARG CB C 13 30.460 0.048 A 547 ARG CD C 13 43.338 0.009 A 547 ARG CG C 13 28.141 0.000 A 547 ARG N N 15 120.304 0.049 A 548 GLY H H 1 7.823 0.007 A 548 GLY HAx H 1 3.887 0.000 A 548 GLY HAy H 1 4.116 0.001 A 548 GLY C C 13 175.105 0.000 A 548 GLY CA C 13 45.460 0.017 A 548 GLY N N 15 104.777 0.063 A 549 LYS H H 1 7.257 0.004 A 549 LYS HA H 1 4.377 0.006 A 549 LYS HBx H 1 1.808 0.000 A 549 LYS HBy H 1 1.808 0.000 A 549 LYS HEy H 1 3.039 0.000 A 549 LYS HEx H 1 2.936 0.000 A 549 LYS HGy H 1 1.730 0.000 A 549 LYS HGx H 1 1.592 0.000 A 549 LYS C C 13 175.156 0.000 A 549 LYS CA C 13 57.373 0.049 A 549 LYS CB C 13 32.147 0.008 A 549 LYS CD C 13 28.694 0.000 A 549 LYS CE C 13 42.335 0.043 A 549 LYS CG C 13 25.321 0.032 A 549 LYS N N 15 122.134 0.015 A 550 TYR H H 1 8.108 0.008 A 550 TYR HA H 1 5.758 0.001 A 550 TYR HBx H 1 3.091 0.000 A 550 TYR HBy H 1 3.091 0.000 A 550 TYR HDx H 1 7.028 0.000 A 550 TYR HDy H 1 7.028 0.000 A 550 TYR HEx H 1 6.798 0.000 A 550 TYR HEy H 1 6.798 0.000 A 550 TYR C C 13 174.650 0.000 A 550 TYR CA C 13 56.030 0.078 A 550 TYR CB C 13 42.227 0.017 A 550 TYR CDy C 13 133.423 0.000 A 550 TYR CEy C 13 118.222 0.000 A 550 TYR N N 15 117.482 0.049 A 551 VAL H H 1 8.549 0.003 A 551 VAL HA H 1 4.459 0.005 A 551 VAL HB H 1 2.150 0.000 A 551 VAL HGx% H 1 1.102 0.000 A 551 VAL HGy% H 1 1.060 0.000 A 551 VAL C C 13 174.974 0.000 A 551 VAL CA C 13 60.038 0.063 A 551 VAL CB C 13 36.793 0.020 A 551 VAL CGx C 13 21.877 0.001 A 551 VAL CGy C 13 22.775 0.017 A 551 VAL N N 15 117.964 0.108 A 552 VAL H H 1 8.642 0.007 A 552 VAL HA H 1 4.159 0.000 A 552 VAL HB H 1 1.872 0.001 A 552 VAL HGx% H 1 1.010 0.000 A 552 VAL HGy% H 1 1.044 0.000 A 552 VAL C C 13 175.545 0.000 A 552 VAL CA C 13 63.152 0.039 A 552 VAL CB C 13 31.958 0.036 A 552 VAL CGx C 13 21.150 0.006 A 552 VAL CGy C 13 22.369 0.045 A 552 VAL N N 15 126.679 0.028 A 553 VAL H H 1 8.341 0.003 A 553 VAL HA H 1 2.459 0.000 A 553 VAL HB H 1 1.463 0.000 A 553 VAL HGx% H 1 -0.362 0.000 A 553 VAL HGy% H 1 0.317 0.000 A 553 VAL CA C 13 61.168 0.000 A 553 VAL CB C 13 31.384 0.000 A 553 VAL CGy C 13 20.461 0.000 A 553 VAL CGx C 13 20.151 0.000 A 553 VAL N N 15 129.744 0.027 A 554 PRO HA H 1 4.388 0.004 A 554 PRO HBx H 1 1.887 0.002 A 554 PRO HBy H 1 2.282 0.002 A 554 PRO HDx H 1 2.797 0.005 A 554 PRO HDy H 1 3.276 0.006 A 554 PRO HGx H 1 1.889 0.000 A 554 PRO HGy H 1 1.889 0.000 A 554 PRO C C 13 178.374 0.000 A 554 PRO CA C 13 62.576 0.042 A 554 PRO CB C 13 32.755 0.028 A 554 PRO CD C 13 51.907 0.022 A 554 PRO CG C 13 27.055 0.041 A 555 GLU H H 1 8.904 0.006 A 555 GLU HA H 1 4.054 0.001 A 555 GLU HBx H 1 2.076 0.000 A 555 GLU HBy H 1 2.076 0.000 A 555 GLU HGy H 1 2.314 0.000 A 555 GLU HGx H 1 2.302 0.000 A 555 GLU C C 13 176.757 0.000 A 555 GLU CA C 13 58.501 0.044 A 555 GLU CB C 13 29.413 0.015 A 555 GLU CG C 13 36.155 0.000 A 555 GLU N N 15 122.440 0.034 A 556 THR H H 1 7.160 0.002 A 556 THR HA H 1 4.152 0.003 A 556 THR HB H 1 4.486 0.000 A 556 THR HG2% H 1 1.252 0.001 A 556 THR C C 13 175.161 0.000 A 556 THR CA C 13 61.379 0.033 A 556 THR CB C 13 68.976 0.045 A 556 THR CG2 C 13 22.136 0.006 A 556 THR N N 15 104.703 0.035 A 557 SER H H 1 7.405 0.003 A 557 SER HA H 1 4.529 0.002 A 557 SER HBx H 1 3.823 0.001 A 557 SER HBy H 1 3.824 0.000 A 557 SER C C 13 175.325 0.000 A 557 SER CA C 13 58.036 0.082 A 557 SER CB C 13 63.214 0.033 A 557 SER N N 15 116.705 0.018 A 558 GLN H H 1 8.915 0.009 A 558 GLN HA H 1 4.169 0.001 A 558 GLN HBx H 1 2.067 0.000 A 558 GLN HBy H 1 2.082 0.000 A 558 GLN HE2x H 1 6.837 0.001 A 558 GLN HE2y H 1 7.517 0.001 A 558 GLN HGy H 1 2.407 0.000 A 558 GLN HGx H 1 2.400 0.000 A 558 GLN C C 13 176.491 0.000 A 558 GLN CA C 13 57.594 0.008 A 558 GLN CB C 13 28.773 0.024 A 558 GLN CG C 13 34.009 0.000 A 558 GLN N N 15 127.356 0.023 A 558 GLN NE2 N 15 112.733 0.018 A 559 ASP H H 1 8.275 0.003 A 559 ASP HA H 1 4.485 0.001 A 559 ASP HBx H 1 2.627 0.002 A 559 ASP HBy H 1 2.803 0.000 A 559 ASP C C 13 175.554 0.000 A 559 ASP CA C 13 53.203 0.037 A 559 ASP CB C 13 40.526 0.007 A 559 ASP N N 15 116.840 0.034 A 560 MET H H 1 7.935 0.003 A 560 MET HA H 1 3.899 0.008 A 560 MET HBx H 1 1.787 0.002 A 560 MET HBy H 1 2.332 0.003 A 560 MET HE% H 1 1.074 0.000 A 560 MET HGx H 1 2.062 0.000 A 560 MET HGy H 1 2.123 0.000 A 560 MET C C 13 175.044 0.000 A 560 MET CA C 13 56.400 0.041 A 560 MET CB C 13 30.933 0.040 A 560 MET CE C 13 16.567 0.000 A 560 MET CG C 13 32.096 0.000 A 560 MET N N 15 112.866 0.050 A 561 ALA H H 1 7.910 0.002 A 561 ALA HA H 1 5.911 0.001 A 561 ALA HB% H 1 1.137 0.003 A 561 ALA C C 13 176.577 0.000 A 561 ALA CA C 13 50.977 0.074 A 561 ALA CB C 13 23.287 0.028 A 561 ALA N N 15 122.207 0.019 A 562 PHE H H 1 8.075 0.002 A 562 PHE HA H 1 4.636 0.002 A 562 PHE HBy H 1 2.761 0.002 A 562 PHE HBx H 1 2.233 0.000 A 562 PHE C C 13 170.988 0.000 A 562 PHE CA C 13 56.230 0.100 A 562 PHE CB C 13 41.046 0.013 A 562 PHE N N 15 117.027 0.014 A 563 LYS H H 1 8.392 0.004 A 563 LYS HA H 1 4.500 0.002 A 563 LYS HBx H 1 1.415 0.001 A 563 LYS HBy H 1 1.420 0.000 A 563 LYS HDy H 1 1.504 0.000 A 563 LYS HDx H 1 1.501 0.000 A 563 LYS HEy H 1 2.850 0.000 A 563 LYS HEx H 1 2.849 0.000 A 563 LYS HGx H 1 0.958 0.000 A 563 LYS HGy H 1 0.960 0.000 A 563 LYS C C 13 176.093 0.000 A 563 LYS CA C 13 53.802 0.076 A 563 LYS CB C 13 33.679 0.018 A 563 LYS CD C 13 29.224 0.000 A 563 LYS CE C 13 41.649 0.000 A 563 LYS CG C 13 24.366 0.000 A 563 LYS N N 15 120.420 0.028 A 565 PRO HA H 1 4.380 0.003 A 565 PRO HBy H 1 2.446 0.005 A 565 PRO HBx H 1 1.939 0.005 A 565 PRO HDx H 1 3.711 0.000 A 565 PRO HDy H 1 4.453 0.000 A 565 PRO HGx H 1 1.420 0.000 A 565 PRO HGy H 1 1.771 0.000 A 565 PRO C C 13 177.300 0.000 A 565 PRO CA C 13 64.393 0.014 A 565 PRO CB C 13 33.005 0.025 A 565 PRO CD C 13 52.309 0.029 A 565 PRO CG C 13 27.715 0.000 A 566 ILE H H 1 8.528 0.003 A 566 ILE HA H 1 4.131 0.001 A 566 ILE HB H 1 2.014 0.005 A 566 ILE HD1% H 1 0.956 0.000 A 566 ILE HG1x H 1 1.421 0.000 A 566 ILE HG1y H 1 1.883 0.000 A 566 ILE HG2% H 1 1.040 0.000 A 566 ILE C C 13 176.361 0.000 A 566 ILE CA C 13 63.699 0.074 A 566 ILE CB C 13 38.797 0.023 A 566 ILE CD1 C 13 13.290 0.082 A 566 ILE CG1 C 13 28.706 0.048 A 566 ILE CG2 C 13 16.753 0.026 A 566 ILE N N 15 118.529 0.021 A 568 LYS H H 1 8.038 0.002 A 568 LYS HA H 1 4.015 0.001 A 568 LYS HBy H 1 2.268 0.007 A 568 LYS HBx H 1 2.004 0.003 A 568 LYS HDx H 1 1.541 0.000 A 568 LYS HDy H 1 1.617 0.000 A 568 LYS HEx H 1 2.987 0.000 A 568 LYS HEy H 1 2.987 0.000 A 568 LYS HGx H 1 1.254 0.000 A 568 LYS HGy H 1 1.328 0.000 A 568 LYS C C 13 175.290 0.000 A 568 LYS CA C 13 57.874 0.000 A 568 LYS CB C 13 28.635 0.039 A 568 LYS CE C 13 42.556 0.000 A 568 LYS CG C 13 25.170 0.000 A 568 LYS N N 15 116.867 0.017 A 569 GLU H H 1 8.380 0.003 A 569 GLU HA H 1 4.472 0.003 A 569 GLU HBy H 1 2.112 0.000 A 569 GLU HBx H 1 2.107 0.000 A 569 GLU HGx H 1 2.292 0.000 A 569 GLU HGy H 1 2.292 0.000 A 569 GLU C C 13 175.851 0.000 A 569 GLU CA C 13 56.201 0.058 A 569 GLU CB C 13 31.343 0.024 A 569 GLU CG C 13 36.543 0.018 A 569 GLU N N 15 120.683 0.034 A 570 THR H H 1 8.565 0.008 A 570 THR HA H 1 4.378 0.002 A 570 THR HB H 1 3.833 0.003 A 570 THR HG2% H 1 0.896 0.000 A 570 THR C C 13 174.070 0.000 A 570 THR CA C 13 63.174 0.064 A 570 THR CB C 13 69.853 0.060 A 570 THR CG2 C 13 21.882 0.036 A 570 THR N N 15 118.082 0.019 A 571 VAL H H 1 8.740 0.003 A 571 VAL HA H 1 3.871 0.002 A 571 VAL HB H 1 0.097 0.002 A 571 VAL HGx% H 1 0.020 0.000 A 571 VAL HGy% H 1 0.708 0.000 A 571 VAL C C 13 174.198 0.000 A 571 VAL CA C 13 62.070 0.074 A 571 VAL CB C 13 31.930 0.063 A 571 VAL CGy C 13 21.652 0.000 A 571 VAL CGx C 13 20.357 0.000 A 571 VAL N N 15 132.533 0.025 A 572 THR H H 1 8.089 0.007 A 572 THR HA H 1 5.243 0.002 A 572 THR HB H 1 4.223 0.005 A 572 THR HG2% H 1 1.287 0.001 A 572 THR C C 13 175.803 0.000 A 572 THR CA C 13 60.095 0.030 A 572 THR CB C 13 70.889 0.021 A 572 THR CG2 C 13 22.089 0.013 A 572 THR N N 15 116.229 0.019 A 573 GLY H H 1 8.871 0.004 A 573 GLY HAx H 1 3.552 0.000 A 573 GLY HAy H 1 4.660 0.001 A 573 GLY C C 13 172.769 0.000 A 573 GLY CA C 13 46.434 0.042 A 573 GLY N N 15 110.544 0.017 A 574 VAL H H 1 9.473 0.004 A 574 VAL HA H 1 4.827 0.000 A 574 VAL HB H 1 2.112 0.000 A 574 VAL HGx% H 1 1.013 0.000 A 574 VAL HGy% H 1 1.039 0.000 A 574 VAL C C 13 173.472 0.000 A 574 VAL CA C 13 60.001 0.000 A 574 VAL CB C 13 35.639 0.012 A 574 VAL CGx C 13 20.214 0.002 A 574 VAL CGy C 13 21.514 0.011 A 574 VAL N N 15 120.833 0.013 A 575 TYR H H 1 8.410 0.005 A 575 TYR HA H 1 3.561 0.001 A 575 TYR HBx H 1 0.778 0.006 A 575 TYR HBy H 1 2.099 0.002 A 575 TYR HDx H 1 5.689 0.000 A 575 TYR HDy H 1 5.689 0.000 A 575 TYR HEx H 1 6.370 0.000 A 575 TYR HEy H 1 6.370 0.000 A 575 TYR C C 13 174.622 0.000 A 575 TYR CA C 13 58.232 0.081 A 575 TYR CB C 13 37.264 0.032 A 575 TYR CDy C 13 132.286 0.000 A 575 TYR CEy C 13 117.486 0.000 A 575 TYR N N 15 126.796 0.033 A 576 ASP H H 1 8.228 0.003 A 576 ASP HA H 1 4.430 0.001 A 576 ASP HBy H 1 2.750 0.000 A 576 ASP HBx H 1 2.017 0.000 A 576 ASP C C 13 174.399 0.000 A 576 ASP CA C 13 52.509 0.019 A 576 ASP CB C 13 42.012 0.051 A 576 ASP N N 15 130.548 0.014 A 577 GLU H H 1 8.480 0.003 A 577 GLU HA H 1 3.579 0.002 A 577 GLU HBx H 1 1.964 0.000 A 577 GLU HBy H 1 1.973 0.000 A 577 GLU HGx H 1 2.299 0.000 A 577 GLU HGy H 1 2.300 0.000 A 577 GLU C C 13 178.103 0.000 A 577 GLU CA C 13 58.707 0.051 A 577 GLU CB C 13 29.510 0.028 A 577 GLU CG C 13 36.193 0.000 A 577 GLU N N 15 125.178 0.020 A 578 GLU H H 1 8.126 0.006 A 578 GLU HA H 1 3.969 0.000 A 578 GLU HBx H 1 2.007 0.001 A 578 GLU HBy H 1 2.014 0.000 A 578 GLU HGx H 1 2.155 0.000 A 578 GLU HGy H 1 2.155 0.000 A 578 GLU C C 13 177.632 0.000 A 578 GLU CA C 13 59.039 0.026 A 578 GLU CB C 13 29.386 0.003 A 578 GLU CG C 13 36.478 0.000 A 578 GLU N N 15 117.933 0.042 A 579 SER H H 1 7.510 0.003 A 579 SER HA H 1 4.343 0.000 A 579 SER HBy H 1 3.790 0.001 A 579 SER HBx H 1 3.670 0.001 A 579 SER C C 13 176.070 0.000 A 579 SER CA C 13 58.557 0.016 A 579 SER CB C 13 64.809 0.013 A 579 SER N N 15 111.483 0.032 A 580 GLY H H 1 8.196 0.002 A 580 GLY HAx H 1 3.557 0.000 A 580 GLY HAy H 1 3.900 0.000 A 580 GLY C C 13 173.600 0.000 A 580 GLY CA C 13 46.106 0.031 A 580 GLY N N 15 113.307 0.012 A 581 GLU H H 1 6.994 0.003 A 581 GLU HA H 1 4.705 0.000 A 581 GLU HBy H 1 1.962 0.000 A 581 GLU HBx H 1 1.530 0.004 A 581 GLU HGx H 1 2.067 0.000 A 581 GLU HGy H 1 2.068 0.000 A 581 GLU C C 13 174.750 0.000 A 581 GLU CA C 13 53.869 0.062 A 581 GLU CB C 13 32.610 0.029 A 581 GLU CG C 13 34.928 0.000 A 581 GLU N N 15 116.623 0.019 A 582 TRP H H 1 8.841 0.007 A 582 TRP HA H 1 4.801 0.000 A 582 TRP HBy H 1 3.026 0.003 A 582 TRP HBx H 1 2.750 0.001 A 582 TRP HD1 H 1 7.339 0.000 A 582 TRP HE1 H 1 10.053 0.000 A 582 TRP HZ2 H 1 7.242 0.000 A 582 TRP C C 13 176.750 0.000 A 582 TRP CA C 13 57.033 0.039 A 582 TRP CB C 13 28.857 0.030 A 582 TRP CD1 C 13 127.236 0.000 A 582 TRP CZ2 C 13 114.335 0.000 A 582 TRP N N 15 122.364 0.012 A 582 TRP NE1 N 15 129.258 0.000 A 583 VAL H H 1 9.440 0.003 A 583 VAL HA H 1 5.116 0.000 A 583 VAL HB H 1 1.995 0.000 A 583 VAL HGx% H 1 0.688 0.000 A 583 VAL HGy% H 1 0.725 0.000 A 583 VAL C C 13 175.063 0.000 A 583 VAL CA C 13 59.398 0.040 A 583 VAL CB C 13 36.769 0.007 A 583 VAL CGx C 13 18.803 0.000 A 583 VAL CGy C 13 21.898 0.000 A 583 VAL N N 15 115.147 0.022 A 584 TRP H H 1 9.295 0.003 A 584 TRP HA H 1 5.250 0.003 A 584 TRP HBy H 1 3.635 0.000 A 584 TRP HBx H 1 3.244 0.000 A 584 TRP HD1 H 1 6.727 0.000 A 584 TRP HE1 H 1 9.356 0.000 A 584 TRP HH2 H 1 6.726 0.000 A 584 TRP HZ2 H 1 6.870 0.000 A 584 TRP C C 13 176.436 0.000 A 584 TRP CA C 13 54.401 0.076 A 584 TRP CB C 13 28.443 0.027 A 584 TRP CD1 C 13 123.252 0.000 A 584 TRP CH2 C 13 123.961 0.000 A 584 TRP CZ2 C 13 113.010 0.000 A 584 TRP N N 15 123.710 0.019 A 584 TRP NE1 N 15 127.084 0.000 A 585 LYS H H 1 8.689 0.003 A 585 LYS HA H 1 4.563 0.002 A 585 LYS HBy H 1 2.072 0.003 A 585 LYS HBx H 1 1.886 0.001 A 585 LYS HDx H 1 1.655 0.000 A 585 LYS HDy H 1 1.692 0.000 A 585 LYS HEx H 1 2.774 0.000 A 585 LYS HEy H 1 2.776 0.000 A 585 LYS HGx H 1 1.357 0.000 A 585 LYS HGy H 1 1.584 0.000 A 585 LYS C C 13 178.886 0.000 A 585 LYS CA C 13 56.313 0.064 A 585 LYS CB C 13 33.433 0.048 A 585 LYS CD C 13 29.210 0.000 A 585 LYS CE C 13 42.056 0.000 A 585 LYS CG C 13 26.389 0.047 A 585 LYS N N 15 122.031 0.034 A 586 ASN H H 1 8.830 0.004 A 586 ASN HA H 1 4.903 0.000 A 586 ASN HBy H 1 3.340 0.002 A 586 ASN HBx H 1 2.775 0.005 A 586 ASN HD2y H 1 7.564 0.000 A 586 ASN HD2x H 1 7.329 0.000 A 586 ASN C C 13 176.043 0.000 A 586 ASN CA C 13 54.702 0.018 A 586 ASN CB C 13 37.052 0.043 A 586 ASN N N 15 123.634 0.043 A 586 ASN ND2 N 15 108.969 0.001 A 587 THR H H 1 8.179 0.004 A 587 THR HA H 1 5.482 0.002 A 587 THR HB H 1 3.931 0.002 A 587 THR HG2% H 1 1.137 0.001 A 587 THR C C 13 171.882 0.000 A 587 THR CA C 13 63.252 0.030 A 587 THR CB C 13 73.106 0.020 A 587 THR CG2 C 13 22.595 0.016 A 587 THR N N 15 114.536 0.022 A 588 ILE H H 1 8.984 0.002 A 588 ILE HA H 1 4.431 0.002 A 588 ILE HB H 1 1.566 0.002 A 588 ILE HD1% H 1 0.468 0.001 A 588 ILE HG1x H 1 0.766 0.000 A 588 ILE HG1y H 1 1.311 0.000 A 588 ILE HG2% H 1 0.738 0.001 A 588 ILE C C 13 171.550 0.000 A 588 ILE CA C 13 58.960 0.042 A 588 ILE CB C 13 43.352 0.009 A 588 ILE CD1 C 13 14.577 0.060 A 588 ILE CG1 C 13 27.199 0.039 A 588 ILE CG2 C 13 17.210 0.026 A 588 ILE N N 15 120.751 0.015 A 589 GLU H H 1 8.337 0.004 A 589 GLU HA H 1 4.811 0.003 A 589 GLU HBy H 1 1.953 0.000 A 589 GLU HBx H 1 1.686 0.000 A 589 GLU HGx H 1 1.472 0.000 A 589 GLU HGy H 1 1.668 0.000 A 589 GLU C C 13 175.587 0.000 A 589 GLU CA C 13 54.161 0.041 A 589 GLU CB C 13 31.623 0.036 A 589 GLU CG C 13 35.295 0.000 A 589 GLU N N 15 125.535 0.023 A 590 VAL H H 1 9.013 0.002 A 590 VAL HA H 1 3.987 0.000 A 590 VAL HB H 1 1.737 0.000 A 590 VAL HGx% H 1 0.079 0.000 A 590 VAL HGy% H 1 0.686 0.000 A 590 VAL C C 13 176.078 0.000 A 590 VAL CA C 13 61.574 0.035 A 590 VAL CB C 13 33.828 0.018 A 590 VAL CGx C 13 19.655 0.000 A 590 VAL CGy C 13 20.501 0.000 A 590 VAL N N 15 126.684 0.031 A 591 ASN H H 1 9.347 0.002 A 591 ASN HA H 1 4.303 0.003 A 591 ASN HBy H 1 3.048 0.003 A 591 ASN HBx H 1 2.699 0.003 A 591 ASN HD2x H 1 6.894 0.000 A 591 ASN HD2y H 1 7.542 0.000 A 591 ASN C C 13 175.223 0.000 A 591 ASN CA C 13 54.048 0.022 A 591 ASN CB C 13 37.769 0.027 A 591 ASN N N 15 127.075 0.006 A 591 ASN ND2 N 15 112.654 0.002 A 592 GLY H H 1 8.990 0.002 A 592 GLY HAy H 1 3.978 0.000 A 592 GLY HAx H 1 3.492 0.000 A 592 GLY C C 13 172.842 0.000 A 592 GLY CA C 13 45.281 0.011 A 592 GLY N N 15 104.628 0.024 A 593 LYS H H 1 7.485 0.003 A 593 LYS HA H 1 4.187 0.003 A 593 LYS HBy H 1 1.674 0.004 A 593 LYS HBx H 1 1.450 0.001 A 593 LYS HEx H 1 2.983 0.000 A 593 LYS HEy H 1 2.983 0.000 A 593 LYS HGy H 1 1.290 0.000 A 593 LYS HGx H 1 1.178 0.000 A 593 LYS C C 13 173.344 0.000 A 593 LYS CA C 13 54.139 0.034 A 593 LYS CB C 13 34.946 0.034 A 593 LYS CD C 13 28.846 0.000 A 593 LYS CE C 13 42.146 0.000 A 593 LYS CG C 13 24.657 0.050 A 593 LYS N N 15 120.387 0.013 A 594 TYR H H 1 7.092 0.004 A 594 TYR HA H 1 4.831 0.000 A 594 TYR HBx H 1 0.978 0.001 A 594 TYR HBy H 1 0.980 0.000 A 594 TYR HDx H 1 6.560 0.000 A 594 TYR HDy H 1 6.560 0.000 A 594 TYR HEx H 1 6.747 0.000 A 594 TYR HEy H 1 6.747 0.000 A 594 TYR C C 13 173.851 0.000 A 594 TYR CA C 13 56.928 0.046 A 594 TYR CB C 13 37.574 0.026 A 594 TYR CDx C 13 132.274 0.000 A 594 TYR CEx C 13 117.565 0.000 A 594 TYR N N 15 119.730 0.020 A 595 PHE H H 1 8.459 0.003 A 595 PHE HA H 1 5.038 0.000 A 595 PHE HBx H 1 2.556 0.002 A 595 PHE HBy H 1 3.314 0.001 A 595 PHE HDx H 1 7.057 0.000 A 595 PHE HDy H 1 7.057 0.000 A 595 PHE C C 13 177.013 0.000 A 595 PHE CA C 13 55.528 0.092 A 595 PHE CB C 13 45.398 0.029 A 595 PHE N N 15 116.435 0.012 A 597 SER H H 1 8.110 0.006 A 597 SER HA H 1 4.798 0.000 A 597 SER HBx H 1 3.583 0.000 A 597 SER HBy H 1 3.585 0.000 A 597 SER C C 13 179.336 0.000 A 597 SER CA C 13 60.633 0.067 A 597 SER CB C 13 62.965 0.021 A 597 SER N N 15 118.403 0.046 A 598 THR H H 1 9.120 0.008 A 598 THR HA H 1 3.991 0.000 A 598 THR HB H 1 4.336 0.000 A 598 THR HG2% H 1 1.384 0.000 A 598 THR C C 13 178.244 0.000 A 598 THR CA C 13 64.766 0.058 A 598 THR CB C 13 67.467 0.017 A 598 THR CG2 C 13 23.356 0.009 A 598 THR N N 15 111.927 0.017 A 600 TYR H H 1 8.396 0.003 A 600 TYR HA H 1 3.597 0.004 A 600 TYR HBy H 1 2.753 0.002 A 600 TYR HBx H 1 2.689 0.001 A 600 TYR HDx H 1 5.889 0.000 A 600 TYR HDy H 1 5.889 0.000 A 600 TYR HEx H 1 6.231 0.000 A 600 TYR HEy H 1 6.231 0.000 A 600 TYR C C 13 177.533 0.000 A 600 TYR CA C 13 62.134 0.095 A 600 TYR CB C 13 39.421 0.019 A 600 TYR CDy C 13 132.480 0.000 A 600 TYR CEy C 13 117.798 0.000 A 600 TYR N N 15 119.532 0.016 A 602 GLU H H 1 8.094 0.002 A 602 GLU HA H 1 4.081 0.000 A 602 GLU HBy H 1 2.098 0.001 A 602 GLU HBx H 1 2.070 0.000 A 602 GLU C C 13 177.912 0.000 A 602 GLU CA C 13 58.160 0.004 A 602 GLU CB C 13 29.733 0.010 A 602 GLU CG C 13 36.351 0.000 A 602 GLU N N 15 118.228 0.026 A 603 THR H H 1 7.578 0.004 A 603 THR HA H 1 4.265 0.000 A 603 THR HB H 1 4.149 0.000 A 603 THR HG2% H 1 1.197 0.000 A 603 THR C C 13 175.279 0.000 A 603 THR CA C 13 63.116 0.051 A 603 THR CB C 13 69.801 0.026 A 603 THR CG2 C 13 21.488 0.000 A 603 THR N N 15 111.252 0.026 A 604 SER H H 1 7.849 0.002 A 604 SER HA H 1 4.221 0.002 A 604 SER HBx H 1 3.572 0.000 A 604 SER HBy H 1 3.630 0.004 A 604 SER C C 13 174.838 0.000 A 604 SER CA C 13 59.105 0.012 A 604 SER CB C 13 63.387 0.017 A 604 SER N N 15 117.291 0.013 A 605 GLN H H 1 7.971 0.002 A 605 GLN HE2y H 1 7.353 0.000 A 605 GLN HE2x H 1 6.733 0.000 A 605 GLN C C 13 175.801 0.000 A 605 GLN CA C 13 56.080 0.000 A 605 GLN CB C 13 28.926 0.000 A 605 GLN CG C 13 33.595 0.000 A 605 GLN N N 15 120.747 0.006 A 605 GLN NE2 N 15 112.613 0.001 A 606 ASN HD2y H 1 7.580 0.000 A 606 ASN HD2x H 1 6.895 0.000 A 606 ASN ND2 N 15 113.026 0.000 A 608 SER H H 1 8.001 0.004 A 608 SER CA C 13 60.256 0.000 A 608 SER CB C 13 64.802 0.000 A 608 SER N N 15 123.149 0.088 A 564 CY2 H H 1 8.456 0.004 A 564 CY2 HA H 1 4.639 0.000 A 564 CY2 HB2 H 1 3.448 0.000 A 564 CY2 HB3 H 1 2.257 0.000 A 564 CY2 C C 13 175.820 0.000 A 564 CY2 CA C 13 57.545 0.055 A 564 CY2 CB C 13 30.650 0.041 A 564 CY2 N N 15 132.535 0.021 A 567 CY2 H H 1 7.770 0.003 A 567 CY2 HA H 1 4.932 0.000 A 567 CY2 HB2 H 1 3.316 0.000 A 567 CY2 HB3 H 1 3.055 0.003 A 567 CY2 C C 13 176.175 0.000 A 567 CY2 CA C 13 58.801 0.049 A 567 CY2 CB C 13 31.243 0.011 A 567 CY2 N N 15 116.646 0.023 A 596 HE1 HA H 1 6.064 0.001 A 596 HE1 HB2 H 1 3.713 0.000 A 596 HE1 HB3 H 1 3.457 0.002 A 596 HE1 HD2 H 1 7.619 0.000 A 596 HE1 HE1 H 1 7.373 0.009 A 596 HE1 CA C 13 58.668 0.041 A 596 HE1 CB C 13 32.486 0.031 A 596 HE1 CD2 C 13 118.940 0.000 A 596 HE1 CE1 C 13 137.120 0.044 A 596 HE1 N N 15 118.187 0.020 A 596 HE1 H1 O 17 9.113 0.001 A 596 HE1 H2 O 17 9.113 0.001 A 596 HE1 H5 O 17 9.113 0.001 A 596 HE1 H6 O 17 9.113 0.001 A 596 HE1 H9 O 17 9.113 0.001 A 596 HE1 OH O 17 9.113 0.001 A 599 CY2 H H 1 6.935 0.004 A 599 CY2 HA H 1 4.055 0.003 A 599 CY2 HB2 H 1 3.105 0.001 A 599 CY2 HB3 H 1 2.936 0.004 A 599 CY2 C C 13 177.266 0.000 A 599 CY2 CA C 13 63.602 0.086 A 599 CY2 CB C 13 30.014 0.021 A 599 CY2 N N 15 117.596 0.029 A 601 HIE H% H 1 8.417 0.003 A 601 HIE HA H 1 4.126 0.001 A 601 HIE HB2 H 1 3.264 0.000 A 601 HIE HB3 H 1 3.113 0.001 A 601 HIE CA C 13 60.119 0.004 A 601 HIE CB C 13 29.903 0.030 A 601 HIE N% N 15 117.457 0.016 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 541 SER HA A 541 SER HBy 1.0 . 2.76 2 2 A 542 ASN HBy A 545 GLU HBy 1.0 . 4.03 3 3 A 543 GLU HA A 543 GLU HGy 1.0 . 3.63 4 4 A 544 LEU HA A 544 LEU HDy% 1.0 . 3.06 5 5 A 544 LEU HDy% A 544 LEU HBy 1.0 . 3.80 6 6 A 544 LEU HBx A 544 LEU HDx% 1.0 . 3.61 7 7 A 544 LEU HA A 544 LEU HBy 1.0 . 3.01 8 8 A 544 LEU HBy A 544 LEU HDx% 1.0 . 3.45 9 9 A 543 GLU HGy A 544 LEU HDy% 1.0 . 4.78 10 10 A 544 LEU HBx A 544 LEU H 1.0 . 4.04 11 11 A 544 LEU HDy% A 544 LEU H 1.0 . 4.65 12 12 A 546 ILE HA A 546 ILE HG2% 1.0 . 3.19 13 13 A 546 ILE HA A 546 ILE HG1y 1.0 . 3.66 14 14 A 546 ILE HA A 549 LYS HGy 1.0 . 4.11 15 15 A 546 ILE HB A 546 ILE HD1% 1.0 . 3.49 16 16 A 545 GLU HBy A 546 ILE HD1% 1.0 . 5.06 17 17 A 546 ILE HG2% A 549 LYS HBx 1.0 . 4.52 18 18 A 545 GLU HBy A 546 ILE HA 1.0 . 5.48 19 19 A 546 ILE HA A 549 LYS HBx 1.0 . 5.50 20 20 A 545 GLU HBy A 546 ILE HG1y 1.0 . 4.70 21 21 A 588 ILE HG2% A 595 PHE HBx 1.0 . 3.72 22 22 A 588 ILE HG2% A 600 TYR HBy 1.0 . 3.67 23 23 A 542 ASN HBy A 546 ILE HD1% 1.0 . 4.64 24 24 A 546 ILE HD1% A 601 HIS HBy 1.0 . 4.55 25 25 A 546 ILE HD1% A 601 HIS HBx 1.0 . 4.14 26 26 A 546 ILE HG2% A 601 HIS HBy 1.0 . 4.15 27 27 A 546 ILE HG2% A 601 HIS HBx 1.0 . 3.78 28 28 A 546 ILE HA A 546 ILE HG1x 1.0 . 4.06 29 29 A 546 ILE HA A 546 ILE HD1% 1.0 . 3.69 30 30 A 546 ILE HB A 598 THR HA 1.0 . 4.22 31 31 A 546 ILE HB A 547 ARG HA 1.0 . 4.91 32 32 A 588 ILE HG2% A 600 TYR HD% 1.0 . 4.10 33 33 A 588 ILE HG2% A 600 TYR HE% 1.0 . 4.91 34 34 A 546 ILE HG2% A 586 ASN HD2y 1.0 . 4.58 35 35 A 546 ILE HG2% A 601 HIS HE1 1.0 . 4.99 36 36 A 546 ILE HG2% A 546 ILE H 1.0 . 4.48 37 37 A 588 ILE HG2% A 589 GLU H 1.0 . 4.24 38 38 A 588 ILE HG2% A 597 SER H 1.0 . 4.30 39 39 A 546 ILE HG2% A 547 ARG HA 1.0 . 3.88 40 40 A 547 ARG HA A 598 THR HG2% 1.0 . 3.74 41 41 A 547 ARG HA A 547 ARG HBx 1.0 . 2.75 42 42 A 547 ARG HA A 547 ARG HDy 1.0 . 5.06 43 43 A 547 ARG HA A 547 ARG HDx 1.0 . 4.79 44 44 A 547 ARG HA A 586 ASN HBx 1.0 . 4.20 45 45 A 547 ARG HBx A 586 ASN HBx 1.0 . 5.03 46 46 A 549 LYS H A 549 LYS HGx 1.0 . 4.27 47 47 A 549 LYS HA A 550 TYR H 1.0 . 2.67 48 48 A 549 LYS HA A 549 LYS HEx 1.0 . 5.26 49 49 A 549 LYS HA A 549 LYS HEy 1.0 . 5.50 50 50 A 549 LYS HBx A 550 TYR H 1.0 . 4.23 51 51 A 549 LYS HGx A 549 LYS HA 1.0 . 4.00 52 52 A 549 LYS HGy A 549 LYS HA 1.0 . 4.04 53 53 A 546 ILE HA A 549 LYS HGx 1.0 . 4.87 54 54 A 549 LYS HBy A 597 SER HBy 1.0 . 4.57 55 55 A 549 LYS HBx A 597 SER HBy 1.0 . 4.41 56 56 A 546 ILE HA A 549 LYS HEy 1.0 . 4.67 57 57 A 546 ILE HA A 549 LYS HEx 1.0 . 4.08 58 58 A 549 LYS HA A 550 TYR HBx 1.0 . 4.56 59 59 A 549 LYS HBx A 549 LYS HEy 1.0 . 5.19 60 60 A 546 ILE HD1% A 549 LYS HEx 1.0 . 5.40 61 61 A 546 ILE HD1% A 549 LYS HEy 1.0 . 4.70 62 62 A 550 TYR HA A 571 VAL HGy% 1.0 . 5.50 63 63 A 550 TYR HA A 551 VAL HGx% 1.0 . 4.04 64 64 A 550 TYR HBy A 583 VAL HGy% 1.0 . 4.36 65 65 A 546 ILE HG2% A 549 LYS HEx 1.0 . 4.66 66 66 A 549 LYS HBx A 550 TYR HA 1.0 . 4.83 67 67 A 550 TYR HBx A 583 VAL HB 1.0 . 4.56 68 68 A 550 TYR HBx A 550 TYR HA 1.0 . 2.90 69 69 A 550 TYR HA A 587 THR HB 1.0 . 3.75 70 70 A 550 TYR HBy A 585 LYS HA 1.0 . 4.43 71 71 A 550 TYR HA A 585 LYS HA 1.0 . 3.63 72 72 A 550 TYR HA A 550 TYR HD% 1.0 . 4.06 73 73 A 550 TYR HA A 587 THR H 1.0 . 3.21 74 74 A 550 TYR HA A 551 VAL H 1.0 . 3.00 75 75 A 550 TYR HBy A 551 VAL H 1.0 . 3.63 76 76 A 550 TYR HA A 586 ASN H 1.0 . 4.24 77 77 A 550 TYR HA A 584 TRP H 1.0 . 5.00 78 78 A 551 VAL HA A 552 VAL H 1.0 . 2.63 79 79 A 551 VAL HGx% A 552 VAL H 1.0 . 4.13 80 80 A 551 VAL HA A 552 VAL HB 1.0 . 4.90 81 81 A 551 VAL HB A 584 TRP HBx 1.0 . 4.35 82 82 A 584 TRP HBx A 551 VAL HGy% 1.0 . 4.68 83 83 A 551 VAL HGy% A 589 GLU HBx 1.0 . 3.74 84 84 A 587 THR HB A 551 VAL HGy% 1.0 . 3.81 85 85 A 551 VAL HGx% A 551 VAL HA 1.0 . 3.26 86 86 A 551 VAL HA A 551 VAL HGy% 1.0 . 3.12 87 87 A 550 TYR HA A 551 VAL HGy% 1.0 . 4.48 88 88 A 551 VAL HB A 594 TYR HE% 1.0 . 4.04 89 89 A 551 VAL HGx% A 594 TYR HE% 1.0 . 3.19 90 90 A 551 VAL HGy% A 594 TYR HE% 1.0 . 3.71 91 91 A 550 TYR HD% A 551 VAL HA 1.0 . 4.27 92 92 A 578 GLU HGy A 579 SER H 1.0 . 4.73 93 93 A 578 GLU HGy A 578 GLU H 1.0 . 4.49 94 94 A 552 VAL HGy% A 553 VAL H 1.0 . 3.82 95 95 A 584 TRP H A 551 VAL HB 1.0 . 5.03 96 96 A 584 TRP H A 552 VAL HGy% 1.0 . 5.50 97 97 A 551 VAL HGy% A 588 ILE H 1.0 . 4.62 98 98 A 552 VAL HA A 553 VAL HGx% 1.0 . 3.89 99 99 A 552 VAL HB A 553 VAL HGx% 1.0 . 5.50 100 100 A 553 VAL HGx% A 552 VAL HGx% 1.0 . 5.50 101 101 A 553 VAL HGx% A 574 VAL HGy% 1.0 . 5.50 102 102 A 583 VAL HGy% A 552 VAL HA 1.0 . 3.21 103 103 A 583 VAL HGy% A 552 VAL HGy% 1.0 . 3.56 104 104 A 552 VAL HGy% A 552 VAL HA 1.0 . 2.68 105 105 A 566 ILE HA A 566 ILE HG1x 1.0 . 3.71 106 106 A 552 VAL HA A 553 VAL HA 1.0 . 4.49 107 107 A 552 VAL HA A 552 VAL HGx% 1.0 . 3.27 108 108 A 552 VAL HGy% A 583 VAL HA 1.0 . 4.30 109 109 A 553 VAL H A 552 VAL HA 1.0 . 2.83 110 110 A 552 VAL H A 552 VAL HGx% 1.0 . 3.86 111 111 A 584 TRP H A 552 VAL HA 1.0 . 4.12 112 112 A 552 VAL HGy% A 553 VAL HB 1.0 . 4.92 113 113 A 553 VAL HA A 554 PRO HBx 1.0 . 4.91 114 114 A 553 VAL HB A 582 TRP HBx 1.0 . 4.92 115 115 A 553 VAL HA A 554 PRO HDx 1.0 . 3.25 116 116 A 553 VAL HB A 582 TRP HBy 1.0 . 4.24 117 117 A 553 VAL HA A 554 PRO HDy 1.0 . 3.14 118 118 A 552 VAL HA A 553 VAL HB 1.0 . 4.90 119 119 A 583 VAL HA A 553 VAL HB 1.0 . 4.82 120 120 A 553 VAL HB A 582 TRP H 1.0 . 5.50 121 121 A 553 VAL HGy% A 584 TRP HE1 1.0 . 5.00 122 122 A 553 VAL HGy% A 555 GLU H 1.0 . 5.50 123 123 A 553 VAL HGy% A 573 GLY H 1.0 . 5.50 124 124 A 553 VAL HGx% A 583 VAL H 1.0 . 4.01 125 125 A 553 VAL H A 553 VAL HGx% 1.0 . 3.12 126 126 A 553 VAL H A 553 VAL HGy% 1.0 . 4.09 127 127 A 553 VAL HGy% A 560 MET H 1.0 . 4.42 128 128 A 553 VAL HGx% A 560 MET H 1.0 . 5.46 129 129 A 553 VAL HGy% A 584 TRP HZ2 1.0 . 3.99 130 130 A 553 VAL HGy% A 584 TRP HH2 1.0 . 4.24 131 131 A 553 VAL HGx% A 560 MET HA 1.0 . 4.39 132 132 A 553 VAL HGx% A 573 GLY HAx 1.0 . 3.80 133 133 A 554 PRO HDy A 553 VAL HGy% 1.0 . 3.82 134 134 A 553 VAL HGx% A 554 PRO HDy 1.0 . 4.21 135 135 A 554 PRO HDx A 553 VAL HGy% 1.0 . 3.36 136 136 A 553 VAL HGx% A 582 TRP HBx 1.0 . 3.51 137 137 A 553 VAL HGx% A 582 TRP HBy 1.0 . 3.88 138 138 A 553 VAL HGx% A 553 VAL HA 1.0 . 3.41 139 139 A 553 VAL HGx% A 560 MET HBy 1.0 . 4.38 140 140 A 553 VAL HA A 553 VAL HGy% 1.0 . 3.38 141 141 A 553 VAL HGy% A 560 MET HBy 1.0 . 3.92 142 142 A 553 VAL HGx% A 560 MET HGx 1.0 . 4.16 143 143 A 553 VAL HGx% A 560 MET HBx 1.0 . 4.02 144 144 A 553 VAL HGy% A 560 MET HBx 1.0 . 3.69 145 145 A 552 VAL HGy% A 553 VAL HGx% 1.0 . 4.13 146 146 A 553 VAL HGx% A 583 VAL HGx% 1.0 . 4.81 147 147 A 553 VAL HGy% A 554 PRO HA 1.0 . 4.32 148 148 A 553 VAL HGx% A 554 PRO HDx 1.0 . 4.90 149 149 A 552 VAL HGy% A 554 PRO HDx 1.0 . 4.90 150 150 A 554 PRO HDy A 557 SER HBy 1.0 . 4.72 151 151 A 554 PRO HBx A 557 SER HBy 1.0 . 5.24 152 152 A 555 GLU H A 554 PRO HA 1.0 . 3.33 153 153 A 555 GLU HA A 557 SER H 1.0 . 4.29 154 154 A 556 THR HA A 556 THR HG2% 1.0 . 2.81 155 155 A 556 THR HA A 556 THR HB 1.0 . 2.89 156 156 A 556 THR HG2% A 556 THR H 1.0 . 4.12 157 157 A 584 TRP HH2 A 557 SER HBy 1.0 . 4.28 158 158 A 584 TRP HZ2 A 557 SER HBy 1.0 . 4.75 159 159 A 557 SER HBy A 557 SER HA 1.0 . 2.94 160 160 A 554 PRO HDx A 557 SER HBy 1.0 . 4.70 161 161 A 560 MET HGx A 557 SER HBy 1.0 . 4.67 162 162 A 553 VAL HGy% A 557 SER HBy 1.0 . 3.51 163 163 A 558 GLN HA A 558 GLN HGx 1.0 . 3.36 164 164 A 559 ASP HBy A 561 ALA H 1.0 . 4.78 165 165 A 560 MET H A 559 ASP HBx 1.0 . 5.23 166 166 A 559 ASP HBx A 559 ASP HA 1.0 . 2.95 167 167 A 553 VAL HGy% A 560 MET HA 1.0 . 3.21 168 168 A 553 VAL HGx% A 560 MET HE% 1.0 . 4.43 169 169 A 553 VAL HGy% A 560 MET HE% 1.0 . 4.52 170 170 A 560 MET HBx A 560 MET HE% 1.0 . 3.83 171 171 A 560 MET HBy A 560 MET HE% 1.0 . 3.79 172 172 A 582 TRP HBx A 560 MET HE% 1.0 . 3.81 173 173 A 584 TRP HH2 A 560 MET HA 1.0 . 4.72 174 174 A 584 TRP HZ2 A 560 MET HA 1.0 . 3.68 175 175 A 573 GLY H A 560 MET HE% 1.0 . 4.75 176 176 A 560 MET HE% A 582 TRP HE1 1.0 . 4.57 177 177 A 560 MET HE% A 574 VAL H 1.0 . 5.50 178 178 A 561 ALA HA A 570 THR HG2% 1.0 . 4.50 179 179 A 561 ALA HA A 572 THR HG2% 1.0 . 4.46 180 180 A 559 ASP HBx A 561 ALA HB% 1.0 . 4.41 181 181 A 559 ASP HBy A 561 ALA HB% 1.0 . 3.97 182 182 A 560 MET HBy A 561 ALA HB% 1.0 . 4.83 183 183 A 560 MET HA A 561 ALA HA 1.0 . 4.79 184 184 A 561 ALA HA A 572 THR HB 1.0 . 5.50 185 185 A 561 ALA HB% A 572 THR HB 1.0 . 4.85 186 186 A 561 ALA HB% A 562 PHE HA 1.0 . 4.34 187 187 A 561 ALA HA A 562 PHE HA 1.0 . 4.87 188 188 A 561 ALA HA A 584 TRP HD1 1.0 . 4.94 189 189 A 584 TRP HZ2 A 561 ALA HA 1.0 . 4.25 190 190 A 561 ALA HB% A 562 PHE H 1.0 . 3.22 191 191 A 573 GLY H A 561 ALA HA 1.0 . 4.22 192 192 A 584 TRP HE1 A 561 ALA HB% 1.0 . 4.20 193 193 A 584 TRP HE1 A 561 ALA HA 1.0 . 3.33 194 194 A 562 PHE HBx A 563 LYS H 1.0 . 3.97 195 195 A 563 LYS H A 562 PHE HBy 1.0 . 4.40 196 196 A 563 LYS HA A 563 LYS HGx 1.0 . 3.30 197 197 A 563 LYS HBy A 563 LYS HEy 1.0 . 4.19 198 198 A 564 CYS HBy A 596 HIS H 1.0 . 5.50 199 199 A 596 HIS H A 564 CYS HBx 1.0 . 4.75 200 200 A 564 CYS HBx A 568 LYS H 1.0 . 5.50 201 201 A 564 CYS HBy A 596 HIS HE1 1.0 . 4.89 202 202 A 563 LYS HA A 564 CYS HBy 1.0 . 4.85 203 203 A 564 CYS HBy A 571 VAL HGx% 1.0 . 5.28 204 204 A 565 PRO HDy A 594 TYR HBy 1.0 . 5.50 205 205 A 565 PRO HDy A 564 CYS HA 1.0 . 3.60 206 206 A 565 PRO HDx A 595 PHE HA 1.0 . 4.88 207 207 A 565 PRO HDy A 595 PHE HD% 1.0 . 4.23 208 208 A 576 ASP HA A 577 GLU H 1.0 . 2.71 209 209 A 565 PRO HBx A 566 ILE H 1.0 . 4.46 210 210 A 566 ILE HB A 596 HIS HBx 1.0 . 5.03 211 211 A 566 ILE HB A 599 CYS HBx 1.0 . 3.47 212 212 A 566 ILE HB A 599 CYS HBy 1.0 . 4.07 213 213 A 566 ILE HA A 566 ILE HG1y 1.0 . 3.23 214 214 A 595 PHE HD% A 566 ILE HG1y 1.0 . 4.49 215 215 A 566 ILE HG1x A 595 PHE HD% 1.0 . 4.24 216 216 A 566 ILE HG1x A 566 ILE H 1.0 . 3.96 217 217 A 566 ILE H A 566 ILE HG2% 1.0 . 3.90 218 218 A 566 ILE H A 566 ILE HD1% 1.0 . 4.08 219 219 A 566 ILE HD1% A 600 TYR H 1.0 . 4.27 220 220 A 566 ILE HD1% A 567 CYS H 1.0 . 4.84 221 221 A 595 PHE HD% A 566 ILE HD1% 1.0 . 3.45 222 222 A 600 TYR HD% A 566 ILE HD1% 1.0 . 3.95 223 223 A 566 ILE HG2% A 567 CYS HA 1.0 . 4.31 224 224 A 566 ILE HA A 566 ILE HG2% 1.0 . 3.06 225 225 A 566 ILE HA A 566 ILE HD1% 1.0 . 4.00 226 226 A 566 ILE HG2% A 567 CYS HBx 1.0 . 4.15 227 227 A 566 ILE HD1% A 595 PHE HBy 1.0 . 4.18 228 228 A 599 CYS HBx A 566 ILE HD1% 1.0 . 3.49 229 229 A 599 CYS HBy A 566 ILE HD1% 1.0 . 3.80 230 230 A 599 CYS HBy A 566 ILE HG2% 1.0 . 3.75 231 231 A 599 CYS HBx A 566 ILE HG2% 1.0 . 3.19 232 232 A 600 TYR HBy A 566 ILE HG2% 1.0 . 5.50 233 233 A 566 ILE HD1% A 600 TYR HBx 1.0 . 4.86 234 234 A 566 ILE HB A 566 ILE HD1% 1.0 . 3.38 235 235 A 566 ILE HG1x A 566 ILE HG2% 1.0 . 3.48 236 236 A 566 ILE HG1y A 566 ILE HG2% 1.0 . 3.25 237 237 A 566 ILE HG2% A 567 CYS HBy 1.0 . 4.93 238 238 A 567 CYS HA A 567 CYS HBy 1.0 . 2.91 239 239 A 567 CYS HA A 567 CYS HBx 1.0 . 2.89 240 240 A 568 LYS H A 567 CYS HBx 1.0 . 5.08 241 241 A 586 ASN HBx A 586 ASN HD2x 1.0 . 4.00 242 242 A 587 THR H A 586 ASN HBy 1.0 . 5.03 243 243 A 586 ASN HBx A 587 THR H 1.0 . 4.95 244 244 A 587 THR H A 586 ASN HA 1.0 . 3.29 245 245 A 547 ARG HA A 586 ASN HBy 1.0 . 5.32 246 246 A 591 ASN HA A 591 ASN HBy 1.0 . 3.02 247 247 A 591 ASN HA A 590 VAL HA 1.0 . 4.97 248 248 A 591 ASN HA A 592 GLY HAy 1.0 . 5.32 249 249 A 591 ASN HBy A 590 VAL HA 1.0 . 5.50 250 250 A 591 ASN HBy A 592 GLY HAy 1.0 . 5.50 251 251 A 591 ASN HA A 592 GLY H 1.0 . 3.20 252 252 A 577 GLU H A 576 ASP HBx 1.0 . 4.81 253 253 A 579 SER H A 576 ASP HBx 1.0 . 5.25 254 254 A 576 ASP HBx A 581 GLU H 1.0 . 4.98 255 255 A 581 GLU H A 576 ASP HBy 1.0 . 4.26 256 256 A 576 ASP HBy A 577 GLU HA 1.0 . 5.50 257 257 A 576 ASP HBx A 575 TYR HA 1.0 . 5.50 258 258 A 576 ASP HBx A 577 GLU HA 1.0 . 5.50 259 259 A 576 ASP HA A 576 ASP HBx 1.0 . 3.02 260 260 A 576 ASP HA A 577 GLU HGy 1.0 . 4.23 261 261 A 583 VAL HGy% A 576 ASP HBx 1.0 . 4.13 262 262 A 583 VAL HGy% A 576 ASP HBy 1.0 . 3.34 263 263 A 574 VAL HGy% A 576 ASP HBx 1.0 . 5.50 264 264 A 567 CYS HA A 569 GLU H 1.0 . 5.12 265 265 A 596 HIS HBx A 599 CYS HBx 1.0 . 3.88 266 266 A 601 HIS HBy A 602 GLU HA 1.0 . 4.39 267 267 A 571 VAL HGy% A 573 GLY HAx 1.0 . 5.50 268 268 A 574 VAL HGy% A 573 GLY HAx 1.0 . 4.88 269 269 A 573 GLY HAx A 560 MET HBx 1.0 . 4.53 270 270 A 573 GLY HAx A 560 MET HBy 1.0 . 4.93 271 271 A 573 GLY HAx A 584 TRP HA 1.0 . 5.17 272 272 A 573 GLY HAx A 584 TRP HD1 1.0 . 4.24 273 273 A 579 SER H A 580 GLY HAx 1.0 . 4.80 274 274 A 579 SER H A 580 GLY HAy 1.0 . 5.21 275 275 A 580 GLY HAx A 575 TYR HE% 1.0 . 4.46 276 276 A 580 GLY HAy A 575 TYR HE% 1.0 . 4.86 277 277 A 592 GLY HAy A 593 LYS HBy 1.0 . 5.31 278 278 A 588 ILE H A 596 HIS HA 1.0 . 4.04 279 279 A 597 SER H A 596 HIS HA 1.0 . 2.98 280 280 A 596 HIS HBy A 598 THR H 1.0 . 4.05 281 281 A 597 SER H A 596 HIS HBy 1.0 . 4.33 282 282 A 597 SER H A 596 HIS HBx 1.0 . 4.81 283 283 A 596 HIS HBx A 600 TYR H 1.0 . 5.34 284 284 A 586 ASN HD2y A 596 HIS HBy 1.0 . 4.59 285 285 A 596 HIS HA A 587 THR HA 1.0 . 3.19 286 286 A 599 CYS HBx A 596 HIS HBy 1.0 . 4.70 287 287 A 599 CYS HBy A 596 HIS HBy 1.0 . 4.05 288 288 A 596 HIS HBx A 599 CYS HBy 1.0 . 4.00 289 289 A 596 HIS HA A 587 THR HG2% 1.0 . 4.29 290 290 A 588 ILE HG2% A 596 HIS HA 1.0 . 4.54 291 291 A 600 TYR HD% A 601 HIS HA 1.0 . 4.50 292 292 A 588 ILE HG2% A 595 PHE HBy 1.0 . 4.33 293 293 A 595 PHE HBx A 588 ILE HD1% 1.0 . 4.95 294 294 A 595 PHE HBx A 594 TYR HBy 1.0 . 5.50 295 295 A 595 PHE HBy A 588 ILE HG1y 1.0 . 5.50 296 296 A 595 PHE HBx A 588 ILE HG1y 1.0 . 4.90 297 297 A 600 TYR HD% A 595 PHE HBy 1.0 . 4.92 298 298 A 595 PHE HBx A 600 TYR HD% 1.0 . 5.16 299 299 A 596 HIS H A 595 PHE HA 1.0 . 3.16 300 300 A 595 PHE HA A 595 PHE HD% 1.0 . 3.86 301 301 A 565 PRO HDy A 595 PHE HA 1.0 . 3.54 302 302 A 594 TYR HBy A 595 PHE HA 1.0 . 4.08 303 303 A 588 ILE HG2% A 595 PHE HA 1.0 . 4.47 304 304 A 595 PHE HA A 587 THR HG2% 1.0 . 4.51 305 305 A 579 SER HA A 579 SER HBy 1.0 . 2.78 306 306 A 582 TRP HBy A 553 VAL HGy% 1.0 . 4.97 307 307 A 582 TRP HBx A 553 VAL HGy% 1.0 . 5.10 308 308 A 582 TRP HBx A 574 VAL H 1.0 . 4.79 309 309 A 553 VAL HGx% A 584 TRP HA 1.0 . 4.82 310 310 A 571 VAL HGy% A 584 TRP HBy 1.0 . 4.21 311 311 A 571 VAL HGy% A 584 TRP HBx 1.0 . 4.59 312 312 A 551 VAL HGx% A 584 TRP HBx 1.0 . 3.89 313 313 A 587 THR HG2% A 584 TRP HBy 1.0 . 3.90 314 314 A 574 VAL HGy% A 584 TRP HA 1.0 . 4.44 315 315 A 584 TRP HA A 585 LYS HGx 1.0 . 4.98 316 316 A 584 TRP HA A 585 LYS HBx 1.0 . 4.63 317 317 A 551 VAL HB A 584 TRP HBy 1.0 . 5.50 318 318 A 587 THR HB A 584 TRP HBy 1.0 . 4.11 319 319 A 584 TRP HD1 A 584 TRP HA 1.0 . 3.07 320 320 A 594 TYR HE% A 584 TRP HBy 1.0 . 4.64 321 321 A 584 TRP HBx A 594 TYR HE% 1.0 . 4.05 322 322 A 584 TRP HA A 585 LYS H 1.0 . 2.77 323 323 A 551 VAL H A 584 TRP HA 1.0 . 4.78 324 324 A 551 VAL H A 584 TRP HBy 1.0 . 5.21 325 325 A 584 TRP HBy A 585 LYS H 1.0 . 4.77 326 326 A 574 VAL H A 584 TRP HA 1.0 . 4.20 327 327 A 574 VAL HGy% A 575 TYR HA 1.0 . 4.77 328 328 A 576 ASP HBy A 575 TYR HA 1.0 . 5.05 329 329 A 582 TRP HBx A 575 TYR HA 1.0 . 5.20 330 330 A 575 TYR HA A 575 TYR HD% 1.0 . 3.09 331 331 A 575 TYR HA A 576 ASP H 1.0 . 2.79 332 332 A 576 ASP H A 575 TYR HBx 1.0 . 4.73 333 333 A 583 VAL H A 575 TYR HA 1.0 . 4.28 334 334 A 566 ILE HD1% A 600 TYR HA 1.0 . 3.49 335 335 A 600 TYR HA A 603 THR HG2% 1.0 . 4.22 336 336 A 600 TYR HBx A 588 ILE HD1% 1.0 . 4.33 337 337 A 588 ILE HG2% A 600 TYR HBx 1.0 . 4.04 338 338 A 600 TYR HBy A 566 ILE HD1% 1.0 . 4.94 339 339 A 599 CYS HBx A 600 TYR HA 1.0 . 4.66 340 340 A 600 TYR HBy A 595 PHE HBy 1.0 . 4.26 341 341 A 600 TYR HBx A 604 SER HA 1.0 . 5.50 342 342 A 600 TYR HD% A 600 TYR HA 1.0 . 3.33 343 343 A 600 TYR HE% A 600 TYR HA 1.0 . 4.73 344 344 A 600 TYR HA A 603 THR H 1.0 . 4.89 345 345 A 600 TYR HBy A 600 TYR H 1.0 . 3.69 346 346 A 600 TYR H A 600 TYR HBx 1.0 . 3.68 347 347 A 600 TYR HBx A 601 HIS H 1.0 . 4.17 348 348 A 545 GLU HA A 545 GLU HBx 1.0 . 2.86 349 349 A 553 VAL HGy% A 555 GLU HA 1.0 . 4.65 350 350 A 545 GLU HA A 545 GLU HGy 1.0 . 3.45 351 351 A 569 GLU HA A 569 GLU HBx 1.0 . 2.86 352 352 A 569 GLU HA A 569 GLU HGx 1.0 . 3.84 353 353 A 569 GLU HA A 569 GLU HGy 1.0 . 3.64 354 354 A 569 GLU HGx A 570 THR H 1.0 . 4.45 355 355 A 569 GLU H A 569 GLU HBx 1.0 . 3.61 356 356 A 577 GLU HA A 575 TYR HE% 1.0 . 3.08 357 357 A 575 TYR HD% A 577 GLU HBy 1.0 . 5.50 358 358 A 577 GLU HA A 577 GLU HGy 1.0 . 3.40 359 359 A 577 GLU HGy A 575 TYR HD% 1.0 . 3.88 360 360 A 577 GLU HGy A 575 TYR HE% 1.0 . 3.95 361 361 A 596 HIS HE1 A 569 GLU HGy 1.0 . 4.45 362 362 A 578 GLU H A 577 GLU HGy 1.0 . 4.60 363 363 A 578 GLU HGy A 578 GLU HA 1.0 . 3.67 364 364 A 583 VAL HGy% A 581 GLU HBx 1.0 . 4.42 365 365 A 552 VAL HGy% A 581 GLU HBx 1.0 . 3.96 366 366 A 583 VAL HGy% A 581 GLU HBy 1.0 . 5.10 367 367 A 552 VAL HGy% A 581 GLU HBy 1.0 . 3.60 368 368 A 582 TRP H A 581 GLU HGx 1.0 . 4.48 369 369 A 581 GLU H A 581 GLU HGx 1.0 . 4.06 370 370 A 581 GLU HGx A 581 GLU HA 1.0 . 3.75 371 371 A 589 GLU HGy A 592 GLY HAx 1.0 . 4.50 372 372 A 592 GLY HAx A 589 GLU HGx 1.0 . 4.56 373 373 A 590 VAL HA A 589 GLU HGy 1.0 . 4.61 374 374 A 590 VAL HA A 589 GLU HGx 1.0 . 4.60 375 375 A 589 GLU HGy A 594 TYR HD% 1.0 . 5.09 376 376 A 589 GLU HGx A 594 TYR HD% 1.0 . 4.74 377 377 A 594 TYR HE% A 589 GLU HGx 1.0 . 4.13 378 378 A 594 TYR HE% A 589 GLU HGy 1.0 . 4.78 379 379 A 594 TYR HD% A 589 GLU HBy 1.0 . 5.24 380 380 A 589 GLU HBx A 594 TYR HD% 1.0 . 4.52 381 381 A 589 GLU HGx A 593 LYS H 1.0 . 4.25 382 382 A 593 LYS HBy A 594 TYR H 1.0 . 4.19 383 383 A 589 GLU H A 589 GLU HGy 1.0 . 4.39 384 384 A 589 GLU H A 589 GLU HGx 1.0 . 4.77 385 385 A 589 GLU HGy A 590 VAL H 1.0 . 4.11 386 386 A 570 THR HG2% A 570 THR HA 1.0 . 3.07 387 387 A 570 THR HA A 571 VAL H 1.0 . 2.76 388 388 A 562 PHE H A 570 THR HA 1.0 . 4.64 389 389 A 571 VAL H A 570 THR HB 1.0 . 4.36 390 390 A 570 THR H A 570 THR HB 1.0 . 2.97 391 391 A 561 ALA HB% A 570 THR HB 1.0 . 5.07 392 392 A 569 GLU HBx A 570 THR HB 1.0 . 5.13 393 393 A 570 THR HG2% A 570 THR H 1.0 . 4.03 394 394 A 571 VAL HGy% A 572 THR HA 1.0 . 4.40 395 395 A 570 THR HG2% A 572 THR HA 1.0 . 4.57 396 396 A 561 ALA HB% A 572 THR HA 1.0 . 3.41 397 397 A 572 THR HG2% A 572 THR HA 1.0 . 3.24 398 398 A 573 GLY HAx A 572 THR HA 1.0 . 4.57 399 399 A 561 ALA HA A 572 THR HA 1.0 . 3.29 400 400 A 584 TRP HD1 A 572 THR HA 1.0 . 4.31 401 401 A 573 GLY H A 572 THR HA 1.0 . 2.87 402 402 A 573 GLY H A 572 THR HB 1.0 . 3.52 403 403 A 572 THR HG2% A 571 VAL HA 1.0 . 4.23 404 404 A 573 GLY H A 572 THR HG2% 1.0 . 4.06 405 405 A 588 ILE H A 587 THR HA 1.0 . 2.87 406 406 A 587 THR HA A 587 THR HG2% 1.0 . 3.21 407 407 A 588 ILE HG2% A 587 THR HA 1.0 . 4.07 408 408 A 587 THR HA A 588 ILE HB 1.0 . 4.93 409 409 A 571 VAL HGy% A 587 THR HB 1.0 . 4.74 410 410 A 587 THR HB A 551 VAL HB 1.0 . 4.88 411 411 A 587 THR HB A 584 TRP HBx 1.0 . 3.98 412 412 A 587 THR HB A 594 TYR HE% 1.0 . 4.39 413 413 A 587 THR HB A 551 VAL H 1.0 . 4.12 414 414 A 587 THR HB A 588 ILE H 1.0 . 4.65 415 415 A 594 TYR HE% A 587 THR HG2% 1.0 . 3.17 416 416 A 587 THR HG2% A 594 TYR HD% 1.0 . 3.76 417 417 A 584 TRP HBx A 587 THR HG2% 1.0 . 3.98 418 418 A 546 ILE HG2% A 598 THR HB 1.0 . 4.56 419 419 A 546 ILE HD1% A 598 THR HA 1.0 . 4.44 420 420 A 546 ILE HG2% A 598 THR HA 1.0 . 2.96 421 421 A 598 THR HA A 598 THR HG2% 1.0 . 2.90 422 422 A 598 THR HB A 599 CYS H 1.0 . 4.17 423 423 A 598 THR HA A 601 HIS H 1.0 . 4.21 424 424 A 601 HIS HBx A 598 THR HA 1.0 . 3.76 425 425 A 601 HIS HBy A 598 THR HA 1.0 . 3.87 426 426 A 546 ILE HG2% A 598 THR HG2% 1.0 . 3.23 427 427 A 546 ILE HD1% A 598 THR HG2% 1.0 . 4.68 428 428 A 598 THR HG2% A 547 ARG HDx 1.0 . 4.64 429 429 A 601 HIS HBx A 598 THR HG2% 1.0 . 4.55 430 430 A 586 ASN HD2y A 598 THR HG2% 1.0 . 3.58 431 431 A 598 THR HG2% A 586 ASN HD2x 1.0 . 4.04 432 432 A 598 THR HG2% A 547 ARG H 1.0 . 4.79 433 433 A 598 THR HG2% A 598 THR H 1.0 . 3.54 434 434 A 603 THR HG2% A 603 THR HA 1.0 . 3.23 435 435 A 600 TYR HA A 603 THR HB 1.0 . 4.72 436 436 A 603 THR H A 603 THR HB 1.0 . 3.94 437 437 A 571 VAL HGy% A 584 TRP HE1 1.0 . 4.33 438 438 A 571 VAL HGy% A 584 TRP HD1 1.0 . 3.28 439 439 A 571 VAL HGy% A 584 TRP HA 1.0 . 3.72 440 440 A 572 THR HA A 571 VAL HA 1.0 . 4.61 441 441 A 571 VAL HGy% A 571 VAL HA 1.0 . 3.14 442 442 A 570 THR HG2% A 571 VAL HA 1.0 . 4.23 443 443 A 571 VAL HGx% A 569 GLU HBx 1.0 . 5.44 444 444 A 564 CYS HBx A 571 VAL HGx% 1.0 . 4.02 445 445 A 571 VAL HGx% A 571 VAL HA 1.0 . 3.20 446 446 A 571 VAL HGx% A 570 THR HA 1.0 . 4.13 447 447 A 571 VAL HGx% A 572 THR HA 1.0 . 5.50 448 448 A 571 VAL HGx% A 584 TRP HA 1.0 . 5.50 449 449 A 584 TRP HD1 A 571 VAL HB 1.0 . 5.17 450 450 A 584 TRP HD1 A 571 VAL HGx% 1.0 . 4.07 451 451 A 562 PHE H A 571 VAL HGx% 1.0 . 3.88 452 452 A 571 VAL HB A 572 THR H 1.0 . 4.89 453 453 A 571 VAL H A 571 VAL HB 1.0 . 3.68 454 454 A 571 VAL HGx% A 571 VAL H 1.0 . 3.40 455 455 A 571 VAL HGx% A 564 CYS H 1.0 . 4.49 456 456 A 574 VAL H A 574 VAL HB 1.0 . 3.92 457 457 A 574 VAL HGx% A 585 LYS HEy 1.0 . 3.49 458 458 A 574 VAL HGy% A 585 LYS HEy 1.0 . 3.92 459 459 A 573 GLY HAx A 574 VAL HGx% 1.0 . 4.62 460 460 A 574 VAL H A 574 VAL HGx% 1.0 . 3.43 461 461 A 583 VAL HB A 584 TRP H 1.0 . 3.37 462 462 A 583 VAL HB A 553 VAL H 1.0 . 5.25 463 463 A 583 VAL HB A 551 VAL H 1.0 . 4.36 464 464 A 583 VAL HB A 550 TYR HD% 1.0 . 3.57 465 465 A 583 VAL HB A 550 TYR HE% 1.0 . 4.70 466 466 A 583 VAL HB A 552 VAL HA 1.0 . 4.26 467 467 A 583 VAL HB A 574 VAL HGy% 1.0 . 4.65 468 468 A 583 VAL HB A 553 VAL HGx% 1.0 . 5.50 469 469 A 583 VAL HGy% A 583 VAL H 1.0 . 3.89 470 470 A 583 VAL HGy% A 552 VAL H 1.0 . 4.44 471 471 A 583 VAL HGy% A 553 VAL H 1.0 . 4.20 472 472 A 583 VAL HGy% A 550 TYR HD% 1.0 . 3.42 473 473 A 583 VAL HGy% A 550 TYR HE% 1.0 . 3.80 474 474 A 583 VAL HGy% A 576 ASP HA 1.0 . 5.10 475 475 A 583 VAL HGy% A 553 VAL HGx% 1.0 . 4.52 476 476 A 574 VAL HGy% A 583 VAL HGx% 1.0 . 3.12 477 477 A 583 VAL HGx% A 585 LYS HGy 1.0 . 3.61 478 478 A 583 VAL HGx% A 585 LYS HGx 1.0 . 4.13 479 479 A 583 VAL HGx% A 576 ASP HBx 1.0 . 3.25 480 480 A 583 VAL HGx% A 576 ASP HBy 1.0 . 3.90 481 481 A 550 TYR HBx A 583 VAL HGx% 1.0 . 4.52 482 482 A 583 VAL HGx% A 575 TYR HA 1.0 . 4.78 483 483 A 552 VAL HA A 583 VAL HGx% 1.0 . 5.12 484 484 A 583 VAL HA A 583 VAL HGx% 1.0 . 4.01 485 485 A 550 TYR HD% A 583 VAL HGx% 1.0 . 4.17 486 486 A 583 VAL HGx% A 576 ASP H 1.0 . 4.54 487 487 A 583 VAL HGx% A 585 LYS H 1.0 . 4.56 488 488 A 584 TRP H A 583 VAL HGx% 1.0 . 4.16 489 489 A 584 TRP H A 583 VAL HA 1.0 . 2.88 490 490 A 553 VAL H A 583 VAL HA 1.0 . 3.22 491 491 A 551 VAL H A 583 VAL HA 1.0 . 4.62 492 492 A 552 VAL HA A 583 VAL HA 1.0 . 3.06 493 493 A 583 VAL HA A 582 TRP HBx 1.0 . 4.80 494 494 A 553 VAL HA A 583 VAL HA 1.0 . 5.39 495 495 A 583 VAL HGy% A 583 VAL HA 1.0 . 3.06 496 496 A 553 VAL HGx% A 583 VAL HA 1.0 . 3.40 497 497 A 590 VAL HA A 590 VAL HGy% 1.0 . 3.37 498 498 A 590 VAL HA A 590 VAL HGx% 1.0 . 3.04 499 499 A 590 VAL HA A 591 ASN HBx 1.0 . 4.83 500 500 A 590 VAL H A 590 VAL HB 1.0 . 3.59 501 501 A 595 PHE HD% A 590 VAL HB 1.0 . 5.34 502 502 A 600 TYR HE% A 590 VAL HB 1.0 . 5.00 503 503 A 588 ILE HD1% A 590 VAL HGy% 1.0 . 3.36 504 504 A 588 ILE HG1y A 590 VAL HGy% 1.0 . 3.77 505 505 A 595 PHE HBx A 590 VAL HGy% 1.0 . 4.82 506 506 A 600 TYR HBy A 590 VAL HGy% 1.0 . 4.97 507 507 A 590 VAL HGx% A 591 ASN HBx 1.0 . 3.69 508 508 A 591 ASN HBy A 590 VAL HGx% 1.0 . 4.12 509 509 A 600 TYR HD% A 590 VAL HGy% 1.0 . 4.36 510 510 A 600 TYR HE% A 590 VAL HGy% 1.0 . 3.88 511 511 A 595 PHE HD% A 590 VAL HGy% 1.0 . 4.23 512 512 A 595 PHE HD% A 590 VAL HGx% 1.0 . 4.91 513 513 A 590 VAL HGx% A 591 ASN HD2x 1.0 . 4.49 514 514 A 590 VAL H A 590 VAL HGy% 1.0 . 3.61 515 515 A 590 VAL H A 590 VAL HGx% 1.0 . 4.07 516 516 A 540 ARG HA A 540 ARG HDx 1.0 . 4.23 517 517 A 540 ARG HDx A 540 ARG HBy 1.0 . 4.11 518 518 A 540 ARG HA A 540 ARG HGx 1.0 . 4.04 519 519 A 588 ILE H A 588 ILE HB 1.0 . 4.09 520 520 A 588 ILE HG1y A 590 VAL H 1.0 . 5.09 521 521 A 588 ILE H A 588 ILE HG1x 1.0 . 4.83 522 522 A 588 ILE H A 588 ILE HD1% 1.0 . 4.96 523 523 A 589 GLU H A 588 ILE HA 1.0 . 2.75 524 524 A 589 GLU H A 588 ILE HB 1.0 . 4.20 525 525 A 600 TYR HD% A 588 ILE HD1% 1.0 . 3.67 526 526 A 588 ILE HD1% A 588 ILE HA 1.0 . 4.02 527 527 A 588 ILE HG2% A 588 ILE HA 1.0 . 3.34 528 528 A 597 SER HBy A 588 ILE HD1% 1.0 . 5.50 529 529 A 588 ILE HD1% A 600 TYR HA 1.0 . 5.50 530 530 A 595 PHE HBy A 588 ILE HD1% 1.0 . 5.50 531 531 A 597 SER HBy A 588 ILE HB 1.0 . 4.41 532 532 A 600 TYR HBy A 588 ILE HD1% 1.0 . 4.25 533 533 A 588 ILE HB A 588 ILE HA 1.0 . 2.97 534 534 A 588 ILE HG1y A 588 ILE HA 1.0 . 3.55 535 535 A 549 LYS HBx A 588 ILE HB 1.0 . 5.25 536 536 A 588 ILE HD1% A 590 VAL HB 1.0 . 4.71 537 537 A 588 ILE HD1% A 588 ILE HB 1.0 . 3.24 538 538 A 588 ILE HG1x A 588 ILE HA 1.0 . 3.16 539 539 A 587 THR HG2% A 588 ILE HB 1.0 . 5.08 540 540 A 588 ILE HG2% A 588 ILE HD1% 1.0 . 2.65 541 541 A 588 ILE HG2% A 590 VAL HGy% 1.0 . 3.62 542 542 A 590 VAL HGy% A 588 ILE HG1x 1.0 . 4.43 543 543 A 588 ILE HB A 590 VAL HGy% 1.0 . 5.35 544 544 A 563 LYS HA A 564 CYS H 1.0 . 2.77 545 545 A 563 LYS HA A 563 LYS HDx 1.0 . 4.64 546 546 A 563 LYS HGx A 563 LYS HEy 1.0 . 3.68 547 547 A 563 LYS HGx A 568 LYS HA 1.0 . 3.53 548 548 A 568 LYS H A 568 LYS HA 1.0 . 2.72 549 549 A 568 LYS H A 568 LYS HGy 1.0 . 4.41 550 550 A 568 LYS H A 568 LYS HGx 1.0 . 4.46 551 551 A 568 LYS HA A 568 LYS HGy 1.0 . 4.05 552 552 A 568 LYS HA A 568 LYS HGx 1.0 . 4.25 553 553 A 568 LYS HGx A 568 LYS HEy 1.0 . 4.14 554 554 A 571 VAL HGy% A 585 LYS HA 1.0 . 4.76 555 555 A 585 LYS HA A 585 LYS HGy 1.0 . 3.42 556 556 A 585 LYS HEy A 585 LYS HGy 1.0 . 3.74 557 557 A 585 LYS HA A 585 LYS HDx 1.0 . 3.94 558 558 A 550 TYR HBx A 585 LYS HA 1.0 . 3.23 559 559 A 585 LYS HA A 586 ASN H 1.0 . 3.14 560 560 A 574 VAL HGy% A 585 LYS HBy 1.0 . 4.96 561 561 A 585 LYS HEy A 585 LYS HBy 1.0 . 4.92 562 562 A 586 ASN HBx A 585 LYS HBy 1.0 . 5.35 563 563 A 585 LYS H A 585 LYS HDx 1.0 . 5.44 564 564 A 585 LYS H A 585 LYS HDy 1.0 . 5.50 565 565 A 585 LYS HA A 585 LYS HDy 1.0 . 4.42 566 566 A 583 VAL HGx% A 585 LYS HDy 1.0 . 4.81 567 567 A 574 VAL HGy% A 585 LYS HDy 1.0 . 3.93 568 568 A 574 VAL HGy% A 585 LYS HGx 1.0 . 4.02 569 569 A 574 VAL HGy% A 585 LYS HGy 1.0 . 4.05 570 570 A 585 LYS HGx A 585 LYS HEy 1.0 . 4.03 571 571 A 550 TYR HBx A 585 LYS HGy 1.0 . 4.72 572 572 A 594 TYR H A 593 LYS HA 1.0 . 2.74 573 573 A 590 VAL H A 593 LYS HA 1.0 . 5.21 574 574 A 594 TYR HD% A 593 LYS HA 1.0 . 4.18 575 575 A 593 LYS HA A 593 LYS HGy 1.0 . 3.42 576 576 A 593 LYS HA A 593 LYS HGx 1.0 . 4.02 577 577 A 593 LYS H A 593 LYS HGy 1.0 . 4.46 578 578 A 560 MET HA A 560 MET HGy 1.0 . 3.94 579 579 A 560 MET HA A 560 MET HGx 1.0 . 4.04 580 580 A 560 MET HGx A 560 MET HE% 1.0 . 4.19 581 581 A 553 VAL HGy% A 560 MET HGy 1.0 . 3.87 582 582 A 553 VAL HGy% A 560 MET HGx 1.0 . 4.08 583 583 A 553 VAL HGx% A 560 MET HGy 1.0 . 4.96 584 584 A 543 GLU H A 543 GLU HBy 1.0 . 3.82 585 585 A 542 ASN HBy A 543 GLU H 1.0 . 4.69 586 586 A 544 LEU H A 543 GLU HBx 1.0 . 4.78 587 587 A 543 GLU HGy A 544 LEU H 1.0 . 5.18 588 588 A 544 LEU HBy A 544 LEU H 1.0 . 3.14 589 589 A 544 LEU HDy% A 545 GLU H 1.0 . 4.81 590 590 A 544 LEU HBx A 545 GLU H 1.0 . 4.23 591 591 A 544 LEU HBy A 545 GLU H 1.0 . 3.89 592 592 A 545 GLU HBy A 545 GLU H 1.0 . 3.16 593 593 A 546 ILE H A 545 GLU H 1.0 . 3.72 594 594 A 546 ILE H A 547 ARG H 1.0 . 3.77 595 595 A 545 GLU HBy A 546 ILE H 1.0 . 3.61 596 596 A 546 ILE HB A 546 ILE H 1.0 . 3.22 597 597 A 546 ILE HG1y A 546 ILE H 1.0 . 3.57 598 598 A 546 ILE HD1% A 546 ILE H 1.0 . 4.31 599 599 A 546 ILE HG1x A 546 ILE H 1.0 . 3.94 600 600 A 546 ILE HG2% A 547 ARG H 1.0 . 4.06 601 601 A 546 ILE HB A 547 ARG H 1.0 . 3.12 602 602 A 547 ARG HBx A 547 ARG H 1.0 . 3.48 603 603 A 545 GLU HA A 547 ARG H 1.0 . 4.16 604 604 A 547 ARG H A 548 GLY H 1.0 . 4.06 605 605 A 549 LYS H A 548 GLY H 1.0 . 4.12 606 606 A 547 ARG HBx A 548 GLY H 1.0 . 4.10 607 607 A 549 LYS HGy A 549 LYS H 1.0 . 3.83 608 608 A 549 LYS HBx A 549 LYS H 1.0 . 3.96 609 609 A 546 ILE HA A 549 LYS H 1.0 . 4.96 610 610 A 549 LYS H A 550 TYR H 1.0 . 4.91 611 611 A 550 TYR H A 550 TYR HD% 1.0 . 3.59 612 612 A 550 TYR HD% A 551 VAL H 1.0 . 3.97 613 613 A 551 VAL H A 584 TRP H 1.0 . 3.79 614 614 A 569 GLU HA A 570 THR H 1.0 . 2.70 615 615 A 550 TYR HBx A 551 VAL H 1.0 . 3.87 616 616 A 551 VAL H A 584 TRP HBx 1.0 . 4.17 617 617 A 551 VAL H A 551 VAL HGy% 1.0 . 3.49 618 618 A 552 VAL H A 551 VAL HB 1.0 . 3.71 619 619 A 552 VAL H A 552 VAL HB 1.0 . 2.96 620 620 A 550 TYR HD% A 552 VAL H 1.0 . 5.27 621 621 A 584 TRP H A 553 VAL H 1.0 . 4.43 622 622 A 552 VAL HB A 553 VAL H 1.0 . 4.67 623 623 A 553 VAL H A 553 VAL HB 1.0 . 3.26 624 624 A 553 VAL H A 552 VAL HGx% 1.0 . 4.16 625 625 A 555 GLU H A 555 GLU HBy 1.0 . 3.82 626 626 A 554 PRO HBx A 556 THR H 1.0 . 4.32 627 627 A 556 THR H A 555 GLU HBy 1.0 . 4.65 628 628 A 553 VAL HGy% A 557 SER H 1.0 . 4.63 629 629 A 557 SER H A 556 THR HG2% 1.0 . 4.98 630 630 A 554 PRO HBx A 557 SER H 1.0 . 4.80 631 631 A 560 MET HGx A 557 SER H 1.0 . 5.31 632 632 A 557 SER H A 554 PRO HBy 1.0 . 4.89 633 633 A 557 SER HBy A 557 SER H 1.0 . 3.12 634 634 A 557 SER H A 556 THR H 1.0 . 4.19 635 635 A 560 MET H A 558 GLN HA 1.0 . 4.86 636 636 A 560 MET H A 584 TRP HZ2 1.0 . 4.99 637 637 A 560 MET H A 559 ASP H 1.0 . 4.53 638 638 A 584 TRP HE1 A 561 ALA H 1.0 . 4.81 639 639 A 584 TRP HZ2 A 561 ALA H 1.0 . 3.81 640 640 A 560 MET HA A 561 ALA H 1.0 . 3.52 641 641 A 561 ALA H A 559 ASP HBx 1.0 . 5.04 642 642 A 560 MET HBy A 561 ALA H 1.0 . 5.27 643 643 A 561 ALA H A 561 ALA HB% 1.0 . 3.09 644 644 A 553 VAL HGy% A 561 ALA H 1.0 . 5.17 645 645 A 562 PHE H A 571 VAL HB 1.0 . 3.86 646 646 A 570 THR HG2% A 562 PHE H 1.0 . 3.84 647 647 A 561 ALA HA A 562 PHE H 1.0 . 2.89 648 648 A 562 PHE H A 571 VAL H 1.0 . 3.50 649 649 A 584 TRP HE1 A 562 PHE H 1.0 . 4.25 650 650 A 562 PHE HA A 563 LYS H 1.0 . 3.10 651 651 A 564 CYS HBx A 569 GLU H 1.0 . 3.80 652 652 A 563 LYS H A 563 LYS HBy 1.0 . 3.05 653 653 A 563 LYS HGx A 569 GLU H 1.0 . 4.24 654 654 A 569 GLU H A 569 GLU HGx 1.0 . 3.65 655 655 A 564 CYS HBy A 569 GLU H 1.0 . 3.75 656 656 A 568 LYS H A 569 GLU H 1.0 . 3.26 657 657 A 571 VAL H A 564 CYS H 1.0 . 4.71 658 658 A 570 THR HA A 564 CYS H 1.0 . 3.62 659 659 A 564 CYS HBy A 564 CYS H 1.0 . 3.24 660 660 A 564 CYS HBx A 564 CYS H 1.0 . 3.33 661 661 A 563 LYS HBy A 564 CYS H 1.0 . 4.45 662 662 A 563 LYS HGx A 564 CYS H 1.0 . 3.78 663 663 A 566 ILE H A 566 ILE HG1y 1.0 . 3.67 664 664 A 566 ILE H A 566 ILE HB 1.0 . 3.07 665 665 A 565 PRO HDy A 566 ILE H 1.0 . 4.05 666 666 A 566 ILE H A 567 CYS H 1.0 . 3.12 667 667 A 567 CYS H A 569 GLU H 1.0 . 4.14 668 668 A 568 LYS H A 567 CYS H 1.0 . 2.96 669 669 A 567 CYS H A 568 LYS HA 1.0 . 4.55 670 670 A 567 CYS H A 567 CYS HBy 1.0 . 3.75 671 671 A 567 CYS H A 567 CYS HBx 1.0 . 3.98 672 672 A 564 CYS HBy A 567 CYS H 1.0 . 4.04 673 673 A 566 ILE HB A 567 CYS H 1.0 . 3.18 674 674 A 564 CYS HBx A 567 CYS H 1.0 . 4.85 675 675 A 566 ILE HG2% A 567 CYS H 1.0 . 3.65 676 676 A 568 LYS H A 566 ILE HB 1.0 . 4.43 677 677 A 568 LYS H A 568 LYS HBy 1.0 . 3.79 678 678 A 564 CYS HBy A 568 LYS H 1.0 . 3.92 679 679 A 568 LYS H A 566 ILE H 1.0 . 3.93 680 680 A 567 CYS HBy A 569 GLU H 1.0 . 4.91 681 681 A 569 GLU HBx A 570 THR H 1.0 . 3.02 682 682 A 571 VAL HGy% A 571 VAL H 1.0 . 4.13 683 683 A 570 THR HG2% A 571 VAL H 1.0 . 3.38 684 684 A 561 ALA HB% A 571 VAL H 1.0 . 4.60 685 685 A 563 LYS HA A 571 VAL H 1.0 . 3.91 686 686 A 572 THR HB A 572 THR H 1.0 . 3.91 687 687 A 571 VAL HA A 572 THR H 1.0 . 2.71 688 688 A 572 THR HG2% A 572 THR H 1.0 . 3.68 689 689 A 571 VAL HGy% A 572 THR H 1.0 . 3.32 690 690 A 553 VAL HGx% A 573 GLY H 1.0 . 4.68 691 691 A 573 GLY H A 560 MET HBx 1.0 . 3.95 692 692 A 573 GLY H A 560 MET HGy 1.0 . 5.50 693 693 A 573 GLY H A 560 MET HBy 1.0 . 4.16 694 694 A 573 GLY H A 560 MET HA 1.0 . 4.96 695 695 A 573 GLY H A 584 TRP HD1 1.0 . 4.13 696 696 A 573 GLY H A 572 THR H 1.0 . 4.75 697 697 A 584 TRP HE1 A 573 GLY H 1.0 . 3.47 698 698 A 573 GLY H A 574 VAL H 1.0 . 4.83 699 699 A 574 VAL H A 584 TRP HD1 1.0 . 5.28 700 700 A 574 VAL H A 573 GLY HAy 1.0 . 3.26 701 701 A 573 GLY HAx A 574 VAL H 1.0 . 3.54 702 702 A 574 VAL HGy% A 574 VAL H 1.0 . 3.44 703 703 A 583 VAL HGx% A 574 VAL H 1.0 . 4.25 704 704 A 553 VAL HGx% A 574 VAL H 1.0 . 4.51 705 705 A 575 TYR HBx A 575 TYR H 1.0 . 3.27 706 706 A 574 VAL HGx% A 575 TYR H 1.0 . 4.31 707 707 A 574 VAL HGy% A 575 TYR H 1.0 . 4.59 708 708 A 574 VAL HB A 575 TYR H 1.0 . 3.35 709 709 A 575 TYR H A 575 TYR HBy 1.0 . 3.46 710 710 A 575 TYR HD% A 575 TYR H 1.0 . 4.30 711 711 A 574 VAL H A 575 TYR H 1.0 . 4.58 712 712 A 581 GLU H A 576 ASP H 1.0 . 4.75 713 713 A 575 TYR HD% A 576 ASP H 1.0 . 4.01 714 714 A 576 ASP HBy A 576 ASP H 1.0 . 3.27 715 715 A 576 ASP HBx A 576 ASP H 1.0 . 3.55 716 716 A 583 VAL HGy% A 576 ASP H 1.0 . 4.61 717 717 A 577 GLU H A 577 GLU HBy 1.0 . 3.01 718 718 A 577 GLU H A 577 GLU HGy 1.0 . 3.54 719 719 A 577 GLU H A 576 ASP HBy 1.0 . 5.02 720 720 A 577 GLU H A 575 TYR HD% 1.0 . 4.83 721 721 A 578 GLU H A 577 GLU H 1.0 . 3.37 722 722 A 579 SER H A 578 GLU H 1.0 . 3.24 723 723 A 578 GLU H A 578 GLU HBy 1.0 . 2.73 724 724 A 579 SER H A 578 GLU HBy 1.0 . 3.19 725 725 A 579 SER H A 576 ASP HBy 1.0 . 4.47 726 726 A 579 SER H A 579 SER HBx 1.0 . 3.66 727 727 A 579 SER H A 579 SER HBy 1.0 . 3.89 728 728 A 579 SER H A 581 GLU H 1.0 . 4.37 729 729 A 579 SER H A 580 GLY H 1.0 . 2.93 730 730 A 575 TYR HE% A 580 GLY H 1.0 . 5.24 731 731 A 576 ASP HBx A 580 GLY H 1.0 . 5.08 732 732 A 578 GLU HBy A 580 GLY H 1.0 . 5.50 733 733 A 576 ASP HBy A 580 GLY H 1.0 . 4.74 734 734 A 583 VAL HGy% A 581 GLU H 1.0 . 5.17 735 735 A 581 GLU H A 581 GLU HBx 1.0 . 3.29 736 736 A 552 VAL HGy% A 581 GLU H 1.0 . 5.50 737 737 A 581 GLU H A 575 TYR HE% 1.0 . 5.50 738 738 A 581 GLU H A 580 GLY H 1.0 . 3.05 739 739 A 582 TRP H A 583 VAL H 1.0 . 4.72 740 740 A 582 TRP H A 582 TRP HD1 1.0 . 4.60 741 741 A 582 TRP H A 581 GLU H 1.0 . 4.70 742 742 A 582 TRP H A 581 GLU HA 1.0 . 2.89 743 743 A 582 TRP H A 575 TYR HA 1.0 . 5.10 744 744 A 582 TRP HBy A 582 TRP H 1.0 . 3.27 745 745 A 582 TRP HBx A 582 TRP H 1.0 . 3.72 746 746 A 582 TRP H A 581 GLU HBy 1.0 . 3.43 747 747 A 582 TRP H A 581 GLU HBx 1.0 . 3.92 748 748 A 583 VAL HGy% A 582 TRP H 1.0 . 4.77 749 749 A 553 VAL HGx% A 582 TRP H 1.0 . 5.05 750 750 A 582 TRP HE1 A 575 TYR HD% 1.0 . 4.05 751 751 A 582 TRP HE1 A 575 TYR HE% 1.0 . 5.28 752 752 A 582 TRP H A 582 TRP HE1 1.0 . 5.50 753 753 A 583 VAL H A 576 ASP H 1.0 . 4.72 754 754 A 550 TYR HD% A 583 VAL H 1.0 . 5.50 755 755 A 583 VAL H A 573 GLY HAx 1.0 . 4.70 756 756 A 582 TRP HBy A 583 VAL H 1.0 . 4.66 757 757 A 582 TRP HBx A 583 VAL H 1.0 . 4.08 758 758 A 583 VAL H A 576 ASP HBx 1.0 . 4.61 759 759 A 574 VAL HGy% A 583 VAL H 1.0 . 4.23 760 760 A 583 VAL H A 583 VAL HGx% 1.0 . 3.11 761 761 A 584 TRP H A 553 VAL HGx% 1.0 . 4.30 762 762 A 583 VAL HGy% A 584 TRP H 1.0 . 3.95 763 763 A 584 TRP H A 551 VAL HGy% 1.0 . 5.16 764 764 A 550 TYR HBx A 584 TRP H 1.0 . 5.50 765 765 A 584 TRP H A 584 TRP HBx 1.0 . 3.48 766 766 A 584 TRP H A 584 TRP HBy 1.0 . 4.01 767 767 A 584 TRP H A 594 TYR HE% 1.0 . 5.50 768 768 A 550 TYR HD% A 584 TRP H 1.0 . 4.95 769 769 A 584 TRP H A 585 LYS H 1.0 . 4.73 770 770 A 584 TRP HD1 A 585 LYS H 1.0 . 4.09 771 771 A 584 TRP HBx A 585 LYS H 1.0 . 4.82 772 772 A 550 TYR HBx A 585 LYS H 1.0 . 5.50 773 773 A 585 LYS H A 585 LYS HBy 1.0 . 3.65 774 774 A 585 LYS HBx A 585 LYS H 1.0 . 3.27 775 775 A 585 LYS HGx A 585 LYS H 1.0 . 3.55 776 776 A 585 LYS H A 585 LYS HGy 1.0 . 3.84 777 777 A 585 LYS H A 574 VAL HGx% 1.0 . 4.80 778 778 A 574 VAL HGy% A 585 LYS H 1.0 . 5.10 779 779 A 571 VAL HGy% A 585 LYS H 1.0 . 3.87 780 780 A 586 ASN H A 585 LYS HGy 1.0 . 4.92 781 781 A 586 ASN H A 585 LYS HDx 1.0 . 4.85 782 782 A 586 ASN H A 585 LYS HBx 1.0 . 4.32 783 783 A 586 ASN H A 585 LYS HBy 1.0 . 3.83 784 784 A 550 TYR HBx A 586 ASN H 1.0 . 4.38 785 785 A 547 ARG HA A 586 ASN H 1.0 . 4.82 786 786 A 586 ASN HD2y A 596 HIS HBx 1.0 . 5.50 787 787 A 586 ASN HD2x A 586 ASN HBy 1.0 . 3.84 788 788 A 587 THR H A 586 ASN H 1.0 . 3.72 789 789 A 587 THR H A 588 ILE H 1.0 . 4.68 790 790 A 587 THR H A 551 VAL H 1.0 . 5.29 791 791 A 585 LYS HA A 587 THR H 1.0 . 4.92 792 792 A 587 THR HB A 587 THR H 1.0 . 3.41 793 793 A 550 TYR HBx A 587 THR H 1.0 . 5.50 794 794 A 550 TYR HBy A 587 THR H 1.0 . 5.50 795 795 A 571 VAL HGy% A 587 THR H 1.0 . 5.47 796 796 A 588 ILE HG2% A 587 THR H 1.0 . 5.50 797 797 A 587 THR H A 587 THR HG2% 1.0 . 4.15 798 798 A 549 LYS HBx A 587 THR H 1.0 . 4.73 799 799 A 597 SER H A 588 ILE H 1.0 . 4.68 800 800 A 595 PHE HBx A 588 ILE H 1.0 . 4.96 801 801 A 588 ILE H A 588 ILE HG1y 1.0 . 4.58 802 802 A 588 ILE H A 587 THR HG2% 1.0 . 3.18 803 803 A 588 ILE HG2% A 588 ILE H 1.0 . 3.27 804 804 A 589 GLU H A 588 ILE H 1.0 . 4.76 805 805 A 589 GLU H A 590 VAL H 1.0 . 5.18 806 806 A 589 GLU H A 589 GLU HBy 1.0 . 3.31 807 807 A 589 GLU H A 588 ILE HG1y 1.0 . 3.72 808 808 A 589 GLU H A 589 GLU HBx 1.0 . 3.41 809 809 A 589 GLU H A 588 ILE HG1x 1.0 . 3.56 810 810 A 589 GLU H A 588 ILE HD1% 1.0 . 4.65 811 811 A 589 GLU H A 590 VAL HGy% 1.0 . 5.01 812 812 A 589 GLU HGx A 590 VAL H 1.0 . 3.61 813 813 A 589 GLU HBy A 590 VAL H 1.0 . 4.57 814 814 A 594 TYR HD% A 590 VAL H 1.0 . 5.29 815 815 A 595 PHE HD% A 590 VAL H 1.0 . 4.33 816 816 A 593 LYS H A 590 VAL H 1.0 . 3.99 817 817 A 584 TRP HE1 A 572 THR HA 1.0 . 3.54 818 818 A 584 TRP HE1 A 573 GLY HAx 1.0 . 4.53 819 819 A 584 TRP HE1 A 560 MET HA 1.0 . 4.68 820 820 A 584 TRP HE1 A 560 MET HBx 1.0 . 4.60 821 821 A 584 TRP HE1 A 560 MET HBy 1.0 . 5.35 822 822 A 584 TRP HE1 A 571 VAL HB 1.0 . 5.50 823 823 A 590 VAL HA A 592 GLY H 1.0 . 3.75 824 824 A 591 ASN HBy A 592 GLY H 1.0 . 4.91 825 825 A 592 GLY H A 589 GLU HGx 1.0 . 4.23 826 826 A 592 GLY H A 589 GLU HGy 1.0 . 4.32 827 827 A 593 LYS H A 590 VAL HGx% 1.0 . 5.50 828 828 A 593 LYS H A 593 LYS HGx 1.0 . 3.92 829 829 A 593 LYS HBy A 593 LYS H 1.0 . 3.17 830 830 A 593 LYS H A 591 ASN HBx 1.0 . 5.27 831 831 A 592 GLY H A 593 LYS H 1.0 . 3.23 832 832 A 594 TYR H A 595 PHE H 1.0 . 5.09 833 833 A 594 TYR H A 590 VAL H 1.0 . 5.34 834 834 A 594 TYR HD% A 594 TYR H 1.0 . 3.58 835 835 A 594 TYR HBy A 594 TYR H 1.0 . 3.46 836 836 A 594 TYR H A 593 LYS HGy 1.0 . 4.26 837 837 A 594 TYR H A 593 LYS HBx 1.0 . 3.51 838 838 A 588 ILE H A 595 PHE H 1.0 . 3.62 839 839 A 595 PHE HD% A 595 PHE H 1.0 . 3.91 840 840 A 594 TYR HD% A 595 PHE H 1.0 . 4.42 841 841 A 594 TYR HE% A 595 PHE H 1.0 . 5.50 842 842 A 587 THR HA A 595 PHE H 1.0 . 5.18 843 843 A 595 PHE HBy A 595 PHE H 1.0 . 4.19 844 844 A 595 PHE HBx A 595 PHE H 1.0 . 3.62 845 845 A 587 THR HG2% A 595 PHE H 1.0 . 3.79 846 846 A 594 TYR HBy A 595 PHE H 1.0 . 3.63 847 847 A 588 ILE HG2% A 595 PHE H 1.0 . 4.19 848 848 A 596 HIS H A 571 VAL HGx% 1.0 . 5.50 849 849 A 596 HIS H A 566 ILE HD1% 1.0 . 5.10 850 850 A 595 PHE HBx A 596 HIS H 1.0 . 4.25 851 851 A 600 TYR HBy A 596 HIS H 1.0 . 5.18 852 852 A 596 HIS H A 599 CYS HBy 1.0 . 4.15 853 853 A 596 HIS H A 599 CYS HBx 1.0 . 4.99 854 854 A 596 HIS H A 595 PHE HBy 1.0 . 3.64 855 855 A 596 HIS H A 596 HIS HBy 1.0 . 3.78 856 856 A 596 HIS H A 596 HIS HBx 1.0 . 3.47 857 857 A 596 HIS H A 564 CYS HA 1.0 . 5.15 858 858 A 596 HIS H A 599 CYS H 1.0 . 5.10 859 859 A 597 SER H A 598 THR H 1.0 . 3.91 860 860 A 597 SER H A 587 THR HA 1.0 . 3.51 861 861 A 597 SER H A 597 SER HBy 1.0 . 3.74 862 862 A 546 ILE HG2% A 598 THR H 1.0 . 4.66 863 863 A 597 SER HBy A 598 THR H 1.0 . 4.79 864 864 A 586 ASN HD2y A 598 THR H 1.0 . 4.54 865 865 A 586 ASN HD2x A 598 THR H 1.0 . 5.26 866 866 A 598 THR H A 599 CYS H 1.0 . 3.85 867 867 A 600 TYR H A 599 CYS H 1.0 . 3.61 868 868 A 586 ASN HD2y A 599 CYS H 1.0 . 4.49 869 869 A 596 HIS HA A 599 CYS H 1.0 . 5.12 870 870 A 596 HIS HBx A 599 CYS H 1.0 . 3.30 871 871 A 596 HIS HBy A 599 CYS H 1.0 . 3.31 872 872 A 601 HIS HBx A 599 CYS H 1.0 . 5.06 873 873 A 599 CYS HBx A 599 CYS H 1.0 . 3.76 874 874 A 599 CYS HBy A 599 CYS H 1.0 . 3.47 875 875 A 600 TYR HBy A 599 CYS H 1.0 . 4.99 876 876 A 598 THR HG2% A 599 CYS H 1.0 . 4.50 877 877 A 588 ILE HG2% A 600 TYR H 1.0 . 4.92 878 878 A 599 CYS HBy A 600 TYR H 1.0 . 3.77 879 879 A 599 CYS HBx A 600 TYR H 1.0 . 4.00 880 880 A 600 TYR H A 595 PHE HBy 1.0 . 4.53 881 881 A 600 TYR HD% A 600 TYR H 1.0 . 4.49 882 882 A 600 TYR HD% A 601 HIS H 1.0 . 4.68 883 883 A 601 HIS HBx A 601 HIS H 1.0 . 3.62 884 884 A 601 HIS HBy A 601 HIS H 1.0 . 3.45 885 885 A 600 TYR HBy A 601 HIS H 1.0 . 4.08 886 886 A 546 ILE HG2% A 601 HIS H 1.0 . 4.46 887 887 A 546 ILE HD1% A 601 HIS H 1.0 . 5.50 888 888 A 588 ILE HD1% A 601 HIS H 1.0 . 5.50 889 889 A 601 HIS HBx A 602 GLU H 1.0 . 4.15 890 890 A 603 THR H A 602 GLU H 1.0 . 4.13 891 891 A 603 THR H A 602 GLU HBx 1.0 . 3.95 892 892 A 603 THR HG2% A 603 THR H 1.0 . 3.89 893 893 A 600 TYR HA A 604 SER H 1.0 . 4.82 894 894 A 550 TYR HD% A 551 VAL HGy% 1.0 . 4.90 895 895 A 575 TYR HE% A 577 GLU HBy 1.0 . 4.71 896 896 A 589 GLU HBx A 594 TYR HE% 1.0 . 3.49 897 897 A 594 TYR HE% A 589 GLU HBy 1.0 . 4.46 898 898 A 600 TYR HE% A 590 VAL HGx% 1.0 . 4.00 899 899 A 600 TYR HE% A 588 ILE HD1% 1.0 . 4.15 900 900 A 596 HIS HE1 A 571 VAL HGx% 1.0 . 4.55 901 901 A 596 HIS HE1 A 569 GLU HBx 1.0 . 3.05 902 902 A 596 HIS HE1 A 569 GLU HGx 1.0 . 4.52 903 903 A 596 HIS HE1 A 569 GLU H 1.0 . 4.71 904 904 A 546 ILE HD1% A 601 HIS HE1 1.0 . 3.87 905 905 A 546 ILE HG1y A 601 HIS HE1 1.0 . 4.61 906 906 A 584 TRP HD1 A 573 GLY HAy 1.0 . 3.93 907 907 A 554 PRO HDx A 584 TRP HH2 1.0 . 4.49 stop_ save_