data_nef_c18004_4a24 save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 18005 BMRB 18006 BMRB 18007 BMRB 18008 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 2 1 ZN ZN 1 7 CYS SG 2 1 ZN ZN 1 10 CYS SG 2 1 ZN ZN 1 27 CYS SG 2 1 ZN ZN 1 31 CYS SG 2 2 ZN ZN 1 18 CYS SG 2 2 ZN ZN 1 21 CYS SG 2 2 ZN ZN 1 43 CYS SG 2 2 ZN ZN 1 39 HIS NE2 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 498 GLY start . false 2 A 499 ALA middle . . 3 A 500 MET middle . . 4 A 501 GLU middle . . 5 A 502 GLN middle . . 6 A 503 SER middle . . 7 A 504 CYS middle -HG . 8 A 505 VAL middle . . 9 A 506 ASN middle . . 10 A 507 CYS middle -HG . 11 A 508 GLY middle . false 12 A 509 ARG middle . . 13 A 510 GLU middle . . 14 A 511 ALA middle . . 15 A 512 MET middle . . 16 A 513 SER middle . . 17 A 514 GLU middle . . 18 A 515 CYS middle -HG . 19 A 516 THR middle . . 20 A 517 GLY middle . false 21 A 518 CYS middle -HG . 22 A 519 HIS middle . . 23 A 520 LYS middle . . 24 A 521 VAL middle . . 25 A 522 ASN middle . . 26 A 523 TYR middle . . 27 A 524 CYS middle -HG . 28 A 525 SER middle . . 29 A 526 THR middle . . 30 A 527 PHE middle . . 31 A 528 CYS middle -HG . 32 A 529 GLN middle . . 33 A 530 ARG middle . . 34 A 531 LYS middle . . 35 A 532 ASP middle . . 36 A 533 TRP middle . . 37 A 534 LYS middle . . 38 A 535 ASP middle . . 39 A 536 HIS middle -HE2 . 40 A 537 GLN middle . . 41 A 538 HIS middle . . 42 A 539 ILE middle . . 43 A 540 CYS middle -HG . 44 A 541 GLY middle . false 45 A 542 GLN middle . . 46 A 543 SER middle . . 47 A 544 ALA end . . 48 B 1 ZN . . . 49 B 2 ZN . . . stop_ save_ save_assigned_chem_shift_list _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list 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 499 ALA HA H 1 4.348 0.020 A 499 ALA HB% H 1 1.396 0.030 A 499 ALA C C 13 177.969 0.200 A 499 ALA CA C 13 52.773 0.063 A 499 ALA CB C 13 19.362 0.200 A 500 MET H H 1 8.517 0.008 A 500 MET HA H 1 4.434 0.014 A 500 MET HBy H 1 2.100 0.020 A 500 MET HBx H 1 2.029 0.020 A 500 MET HGy H 1 2.603 0.020 A 500 MET HGx H 1 2.534 0.020 A 500 MET C C 13 176.311 0.200 A 500 MET CA C 13 55.539 0.060 A 500 MET CB C 13 32.690 0.099 A 500 MET CG C 13 32.115 0.052 A 500 MET N N 15 119.235 0.200 A 501 GLU H H 1 8.504 0.015 A 501 GLU HA H 1 4.273 0.020 A 501 GLU HB2 H 1 1.962 0.020 A 501 GLU HB3 H 1 1.962 0.020 A 501 GLU HG2 H 1 2.286 0.030 A 501 GLU HG3 H 1 2.286 0.030 A 501 GLU C C 13 176.436 0.200 A 501 GLU CA C 13 57.174 0.200 A 501 GLU CB C 13 29.854 0.200 A 501 GLU CG C 13 35.974 0.425 A 501 GLU N N 15 121.554 0.015 A 502 GLN H H 1 8.275 0.020 A 502 GLN HA H 1 4.418 0.018 A 502 GLN HBx H 1 1.863 0.008 A 502 GLN HBy H 1 2.046 0.005 A 502 GLN HE21 H 1 6.835 0.020 A 502 GLN HE22 H 1 7.496 0.020 A 502 GLN HG2 H 1 2.313 0.004 A 502 GLN HG3 H 1 2.313 0.004 A 502 GLN C C 13 175.403 0.200 A 502 GLN CA C 13 55.153 0.200 A 502 GLN CB C 13 29.583 0.150 A 502 GLN CG C 13 33.837 0.027 A 502 GLN N N 15 120.273 0.023 A 502 GLN NE2 N 15 112.132 0.060 A 503 SER H H 1 8.229 0.006 A 503 SER HA H 1 4.625 0.005 A 503 SER HBy H 1 3.503 0.020 A 503 SER HBx H 1 3.470 0.002 A 503 SER C C 13 172.415 0.200 A 503 SER CA C 13 57.034 0.009 A 503 SER CB C 13 65.197 0.033 A 503 SER N N 15 116.478 0.008 A 504 CYS H H 1 9.393 0.012 A 504 CYS HA H 1 4.148 0.022 A 504 CYS HBy H 1 3.385 0.004 A 504 CYS HBx H 1 2.702 0.009 A 504 CYS C C 13 178.689 0.200 A 504 CYS CA C 13 58.679 0.057 A 504 CYS CB C 13 30.583 0.078 A 504 CYS N N 15 124.055 0.007 A 505 VAL H H 1 8.296 0.009 A 505 VAL HA H 1 4.114 0.002 A 505 VAL HB H 1 2.337 0.001 A 505 VAL HGx% H 1 1.031 0.013 A 505 VAL HGy% H 1 1.039 0.020 A 505 VAL C C 13 175.137 0.200 A 505 VAL CA C 13 64.405 0.240 A 505 VAL CB C 13 31.991 0.223 A 505 VAL CG1 C 13 21.950 0.070 A 505 VAL CG2 C 13 21.473 0.200 A 505 VAL N N 15 129.107 0.036 A 506 ASN H H 1 8.968 0.023 A 506 ASN HA H 1 5.122 0.019 A 506 ASN HBy H 1 3.588 0.020 A 506 ASN HBx H 1 2.486 0.016 A 506 ASN HD21 H 1 9.046 0.010 A 506 ASN HD22 H 1 6.845 0.010 A 506 ASN C C 13 174.965 0.200 A 506 ASN CA C 13 56.288 0.132 A 506 ASN CB C 13 41.147 0.185 A 506 ASN N N 15 120.648 0.047 A 506 ASN ND2 N 15 119.776 0.029 A 507 CYS H H 1 7.794 0.021 A 507 CYS HA H 1 5.231 0.025 A 507 CYS HBy H 1 3.204 0.004 A 507 CYS HBx H 1 2.522 0.011 A 507 CYS C C 13 175.732 0.200 A 507 CYS CA C 13 58.809 0.047 A 507 CYS CB C 13 34.123 0.104 A 507 CYS N N 15 113.921 0.085 A 508 GLY H H 1 8.060 0.020 A 508 GLY HA2 H 1 3.347 0.020 A 508 GLY HA3 H 1 3.347 0.020 A 508 GLY C C 13 173.667 0.200 A 508 GLY CA C 13 45.948 0.200 A 508 GLY N N 15 113.399 0.030 A 509 ARG H H 1 8.093 0.011 A 509 ARG HA H 1 4.323 0.014 A 509 ARG HBy H 1 1.930 0.020 A 509 ARG HBx H 1 1.743 0.005 A 509 ARG HD2 H 1 3.205 0.011 A 509 ARG HD3 H 1 3.205 0.011 A 509 ARG HG2 H 1 1.581 0.005 A 509 ARG HG3 H 1 1.581 0.005 A 509 ARG C C 13 174.965 0.200 A 509 ARG CA C 13 56.594 0.035 A 509 ARG CB C 13 30.843 0.287 A 509 ARG CD C 13 43.148 0.105 A 509 ARG CG C 13 29.433 0.126 A 509 ARG N N 15 121.626 0.038 A 510 GLU H H 1 8.523 0.029 A 510 GLU HA H 1 4.045 0.034 A 510 GLU HBx H 1 1.914 0.020 A 510 GLU HBy H 1 1.968 0.020 A 510 GLU HG2 H 1 2.317 0.016 A 510 GLU HG3 H 1 2.317 0.016 A 510 GLU C C 13 175.810 0.200 A 510 GLU CA C 13 58.562 0.165 A 510 GLU CB C 13 29.730 0.199 A 510 GLU CG C 13 36.288 0.149 A 510 GLU N N 15 120.416 0.012 A 511 ALA H H 1 8.102 0.025 A 511 ALA HA H 1 4.103 0.005 A 511 ALA HB% H 1 0.990 0.021 A 511 ALA CA C 13 51.782 0.114 A 511 ALA CB C 13 21.426 0.088 A 511 ALA N N 15 124.181 0.129 A 512 MET H H 1 8.436 0.030 A 512 MET HA H 1 4.741 0.018 A 512 MET HBy H 1 2.182 0.005 A 512 MET HBx H 1 1.984 0.001 A 512 MET HGy H 1 2.671 0.003 A 512 MET HGx H 1 2.485 0.020 A 512 MET C C 13 175.669 0.200 A 512 MET CB C 13 34.429 0.098 A 512 MET CG C 13 32.319 0.161 A 512 MET N N 15 117.496 0.013 A 513 SER H H 1 8.087 0.029 A 513 SER HA H 1 4.811 0.020 A 513 SER HB2 H 1 3.890 0.020 A 513 SER HB3 H 1 3.890 0.020 A 513 SER C C 13 172.916 0.200 A 513 SER CA C 13 57.913 0.200 A 513 SER CB C 13 64.724 0.044 A 513 SER N N 15 114.843 0.013 A 514 GLU H H 1 8.502 0.006 A 514 GLU HA H 1 5.034 0.016 A 514 GLU HB2 H 1 1.928 0.020 A 514 GLU HB3 H 1 1.928 0.020 A 514 GLU HGy H 1 2.278 0.020 A 514 GLU HGx H 1 2.101 0.020 A 514 GLU C C 13 176.702 0.200 A 514 GLU CA C 13 54.625 0.080 A 514 GLU CB C 13 32.746 0.032 A 514 GLU CG C 13 35.582 0.121 A 514 GLU N N 15 122.735 0.019 A 515 CYS H H 1 8.170 0.035 A 515 CYS HA H 1 4.426 0.020 A 515 CYS HBy H 1 3.203 0.006 A 515 CYS HBx H 1 2.865 0.021 A 515 CYS C C 13 177.594 0.200 A 515 CYS CA C 13 60.292 0.144 A 515 CYS CB C 13 30.453 0.042 A 515 CYS N N 15 122.708 0.023 A 516 THR H H 1 8.750 0.012 A 516 THR HA H 1 3.612 0.009 A 516 THR HB H 1 4.436 0.003 A 516 THR HG2% H 1 1.379 0.020 A 516 THR C C 13 174.637 0.200 A 516 THR CA C 13 63.333 0.017 A 516 THR CB C 13 68.416 0.105 A 516 THR CG2 C 13 22.188 0.034 A 516 THR N N 15 123.260 0.028 A 517 GLY H H 1 9.108 0.037 A 517 GLY HAy H 1 4.008 0.020 A 517 GLY HAx H 1 3.723 0.097 A 517 GLY C C 13 174.574 0.200 A 517 GLY CA C 13 46.468 0.130 A 517 GLY N N 15 113.587 0.018 A 518 CYS H H 1 7.162 0.023 A 518 CYS HA H 1 5.048 0.022 A 518 CYS HBy H 1 3.695 0.003 A 518 CYS HBx H 1 3.154 0.027 A 518 CYS C C 13 175.137 0.200 A 518 CYS CA C 13 57.575 0.072 A 518 CYS CB C 13 33.559 0.055 A 518 CYS N N 15 114.239 0.018 A 519 HIS H H 1 8.294 0.022 A 519 HIS HA H 1 4.266 0.020 A 519 HIS HBy H 1 3.590 0.020 A 519 HIS HBx H 1 3.470 0.007 A 519 HIS HD2 H 1 7.174 0.003 A 519 HIS HE1 H 1 8.604 0.053 A 519 HIS C C 13 174.668 0.200 A 519 HIS CA C 13 57.746 0.266 A 519 HIS CB C 13 26.357 0.137 A 519 HIS CD2 C 13 120.466 0.152 A 519 HIS CE1 C 13 136.084 0.034 A 519 HIS N N 15 117.387 0.028 A 520 LYS H H 1 8.738 0.020 A 520 LYS HA H 1 4.687 0.013 A 520 LYS HB2 H 1 2.146 0.009 A 520 LYS HB3 H 1 2.146 0.009 A 520 LYS HD2 H 1 1.762 0.023 A 520 LYS HD3 H 1 1.762 0.023 A 520 LYS HE2 H 1 3.122 0.024 A 520 LYS HE3 H 1 3.122 0.024 A 520 LYS HGy H 1 1.687 0.020 A 520 LYS HGx H 1 1.544 0.003 A 520 LYS C C 13 176.358 0.200 A 520 LYS CA C 13 57.042 0.259 A 520 LYS CB C 13 35.594 0.198 A 520 LYS CD C 13 29.296 0.200 A 520 LYS CG C 13 25.380 0.112 A 520 LYS N N 15 117.260 0.032 A 521 VAL H H 1 7.016 0.012 A 521 VAL HA H 1 4.477 0.014 A 521 VAL HB H 1 1.735 0.005 A 521 VAL HGx% H 1 0.402 0.016 A 521 VAL HGy% H 1 0.856 0.003 A 521 VAL C C 13 172.869 0.200 A 521 VAL CA C 13 58.988 0.121 A 521 VAL CB C 13 35.506 0.012 A 521 VAL CG1 C 13 19.890 0.061 A 521 VAL CG2 C 13 21.715 0.022 A 521 VAL N N 15 110.076 0.009 A 522 ASN H H 1 8.032 0.025 A 522 ASN HA H 1 5.252 0.004 A 522 ASN HBy H 1 2.254 0.020 A 522 ASN HBx H 1 2.160 0.020 A 522 ASN HD21 H 1 7.087 0.032 A 522 ASN HD22 H 1 6.842 0.006 A 522 ASN C C 13 172.337 0.200 A 522 ASN CA C 13 51.904 0.147 A 522 ASN CB C 13 42.135 0.084 A 522 ASN N N 15 119.404 0.046 A 522 ASN ND2 N 15 111.843 0.021 A 523 TYR H H 1 8.430 0.020 A 523 TYR HA H 1 6.181 0.018 A 523 TYR HBy H 1 3.276 0.003 A 523 TYR HBx H 1 2.530 0.003 A 523 TYR HDy H 1 7.336 0.020 A 523 TYR HDx H 1 6.690 0.020 A 523 TYR HEy H 1 6.629 0.020 A 523 TYR HEx H 1 6.326 0.020 A 523 TYR C C 13 176.796 0.200 A 523 TYR CA C 13 56.300 0.041 A 523 TYR CB C 13 43.843 0.038 A 523 TYR CDx C 13 132.520 0.137 A 523 TYR CDy C 13 132.867 0.355 A 523 TYR CEy C 13 119.382 0.152 A 523 TYR CEx C 13 118.379 0.161 A 523 TYR N N 15 114.109 0.068 A 524 CYS H H 1 9.694 0.019 A 524 CYS HA H 1 4.796 0.002 A 524 CYS HBy H 1 3.284 0.020 A 524 CYS HBx H 1 2.754 0.020 A 524 CYS C C 13 175.122 0.200 A 524 CYS CA C 13 59.726 0.200 A 524 CYS CB C 13 31.425 0.116 A 524 CYS N N 15 119.397 0.036 A 525 SER H H 1 7.409 0.028 A 525 SER HA H 1 4.851 0.014 A 525 SER HBy H 1 4.398 0.002 A 525 SER HBx H 1 4.254 0.020 A 525 SER C C 13 174.292 0.200 A 525 SER CB C 13 64.733 0.095 A 525 SER N N 15 113.659 0.042 A 526 THR H H 1 8.985 0.020 A 526 THR HA H 1 4.056 0.002 A 526 THR HB H 1 4.135 0.020 A 526 THR HG2% H 1 1.285 0.015 A 526 THR C C 13 176.295 0.200 A 526 THR CA C 13 65.398 0.200 A 526 THR CB C 13 68.350 0.163 A 526 THR CG2 C 13 22.221 0.200 A 526 THR N N 15 116.436 0.200 A 527 PHE H H 1 8.482 0.018 A 527 PHE HA H 1 3.868 0.020 A 527 PHE HB2 H 1 3.166 0.016 A 527 PHE HB3 H 1 3.166 0.016 A 527 PHE HDx H 1 7.113 0.020 A 527 PHE HDy H 1 7.113 0.020 A 527 PHE HEx H 1 7.189 0.002 A 527 PHE HEy H 1 7.189 0.002 A 527 PHE C C 13 178.767 0.200 A 527 PHE CA C 13 62.255 0.019 A 527 PHE CB C 13 39.057 0.042 A 527 PHE CDx C 13 132.298 0.045 A 527 PHE CDy C 13 132.298 0.045 A 527 PHE CEx C 13 130.895 0.012 A 527 PHE CEy C 13 130.895 0.012 A 527 PHE N N 15 122.691 0.016 A 528 CYS H H 1 7.956 0.011 A 528 CYS HA H 1 4.097 0.007 A 528 CYS HBy H 1 3.110 0.020 A 528 CYS HBx H 1 2.964 0.005 A 528 CYS C C 13 176.201 0.200 A 528 CYS CA C 13 65.567 0.085 A 528 CYS CB C 13 31.561 0.044 A 528 CYS N N 15 119.211 0.068 A 529 GLN H H 1 7.443 0.029 A 529 GLN HA H 1 1.916 0.003 A 529 GLN HBy H 1 1.976 0.008 A 529 GLN HBx H 1 1.308 0.016 A 529 GLN HE21 H 1 6.787 0.004 A 529 GLN HE22 H 1 7.677 0.001 A 529 GLN HGx H 1 1.910 0.020 A 529 GLN HGy H 1 2.013 0.001 A 529 GLN C C 13 178.548 0.200 A 529 GLN CA C 13 58.786 0.128 A 529 GLN CB C 13 27.905 0.080 A 529 GLN CG C 13 32.623 0.052 A 529 GLN N N 15 119.332 0.016 A 529 GLN NE2 N 15 110.986 0.027 A 530 ARG H H 1 8.293 0.015 A 530 ARG HA H 1 3.900 0.004 A 530 ARG HB2 H 1 1.693 0.020 A 530 ARG HB3 H 1 1.693 0.020 A 530 ARG HD2 H 1 3.030 0.002 A 530 ARG HD3 H 1 3.030 0.002 A 530 ARG HGy H 1 1.672 0.020 A 530 ARG HGx H 1 1.475 0.020 A 530 ARG C C 13 179.284 0.200 A 530 ARG CA C 13 58.788 0.039 A 530 ARG CB C 13 29.699 0.024 A 530 ARG CD C 13 43.213 0.071 A 530 ARG CG C 13 27.264 0.100 A 530 ARG N N 15 118.348 0.014 A 531 LYS H H 1 8.274 0.020 A 531 LYS HA H 1 4.014 0.018 A 531 LYS HBy H 1 1.925 0.020 A 531 LYS HBx H 1 1.739 0.020 A 531 LYS HD2 H 1 1.942 0.020 A 531 LYS HD3 H 1 1.942 0.020 A 531 LYS HEx H 1 3.248 0.006 A 531 LYS HEy H 1 3.376 0.011 A 531 LYS HGx H 1 1.665 0.006 A 531 LYS HGy H 1 1.824 0.021 A 531 LYS C C 13 179.143 0.200 A 531 LYS CA C 13 58.478 0.130 A 531 LYS CB C 13 32.188 0.015 A 531 LYS CD C 13 28.876 0.200 A 531 LYS CE C 13 43.003 0.062 A 531 LYS CG C 13 24.399 0.094 A 531 LYS N N 15 122.201 0.024 A 532 ASP H H 1 7.958 0.023 A 532 ASP HA H 1 4.931 0.020 A 532 ASP HBy H 1 2.831 0.020 A 532 ASP HBx H 1 2.627 0.020 A 532 ASP C C 13 176.733 0.200 A 532 ASP CA C 13 55.127 0.225 A 532 ASP CB C 13 43.692 0.083 A 532 ASP N N 15 115.218 0.026 A 533 TRP H H 1 7.687 0.010 A 533 TRP HA H 1 4.763 0.020 A 533 TRP HBy H 1 3.551 0.020 A 533 TRP HBx H 1 3.275 0.020 A 533 TRP HD1 H 1 7.153 0.017 A 533 TRP HE1 H 1 9.997 0.024 A 533 TRP HE3 H 1 8.098 0.020 A 533 TRP HH2 H 1 7.272 0.020 A 533 TRP HZ2 H 1 7.455 0.003 A 533 TRP HZ3 H 1 7.334 0.020 A 533 TRP C C 13 176.342 0.200 A 533 TRP CA C 13 60.231 0.200 A 533 TRP CB C 13 29.988 0.204 A 533 TRP CD1 C 13 127.130 0.068 A 533 TRP CE3 C 13 121.512 0.025 A 533 TRP CH2 C 13 124.664 0.182 A 533 TRP CZ2 C 13 115.033 0.046 A 533 TRP CZ3 C 13 121.869 0.200 A 533 TRP N N 15 120.648 0.026 A 533 TRP NE1 N 15 128.524 0.016 A 534 LYS H H 1 7.751 0.025 A 534 LYS HA H 1 3.797 0.003 A 534 LYS HBy H 1 1.972 0.020 A 534 LYS HBx H 1 1.930 0.020 A 534 LYS HD2 H 1 1.775 0.020 A 534 LYS HD3 H 1 1.775 0.020 A 534 LYS HE2 H 1 3.125 0.012 A 534 LYS HE3 H 1 3.125 0.012 A 534 LYS HG2 H 1 1.526 0.004 A 534 LYS HG3 H 1 1.526 0.004 A 534 LYS C C 13 177.453 0.200 A 534 LYS CA C 13 59.829 0.020 A 534 LYS CB C 13 31.605 0.063 A 534 LYS CD C 13 29.335 0.053 A 534 LYS CE C 13 42.329 0.200 A 534 LYS CG C 13 24.253 0.177 A 534 LYS N N 15 116.586 0.027 A 535 ASP H H 1 7.593 0.005 A 535 ASP HA H 1 4.888 0.004 A 535 ASP HBy H 1 2.810 0.020 A 535 ASP HBx H 1 2.753 0.001 A 535 ASP C C 13 178.361 0.200 A 535 ASP CA C 13 55.901 0.200 A 535 ASP CB C 13 42.545 0.117 A 535 ASP N N 15 115.993 0.020 A 536 HIS H H 1 9.321 0.018 A 536 HIS HA H 1 4.204 0.028 A 536 HIS HBy H 1 3.498 0.020 A 536 HIS HBx H 1 3.087 0.016 A 536 HIS HD2 H 1 7.171 0.020 A 536 HIS HE1 H 1 7.881 0.004 A 536 HIS C C 13 176.655 0.200 A 536 HIS CA C 13 58.956 0.099 A 536 HIS CB C 13 29.357 0.043 A 536 HIS CD2 C 13 120.466 0.152 A 536 HIS CE1 C 13 139.369 0.075 A 536 HIS N N 15 121.474 0.021 A 537 GLN H H 1 8.133 0.023 A 537 GLN HA H 1 2.883 0.020 A 537 GLN HBy H 1 1.015 0.004 A 537 GLN HBx H 1 0.032 0.002 A 537 GLN HE21 H 1 6.707 0.004 A 537 GLN HE22 H 1 6.852 0.007 A 537 GLN HGy H 1 1.508 0.012 A 537 GLN HGx H 1 0.773 0.020 A 537 GLN C C 13 176.076 0.200 A 537 GLN CA C 13 57.870 0.010 A 537 GLN CB C 13 27.221 0.057 A 537 GLN CG C 13 31.898 0.035 A 537 GLN N N 15 114.780 0.028 A 537 GLN NE2 N 15 111.669 0.106 A 538 HIS H H 1 6.833 0.020 A 538 HIS HA H 1 4.367 0.004 A 538 HIS HBy H 1 3.222 0.020 A 538 HIS HBx H 1 2.967 0.020 A 538 HIS HD2 H 1 7.285 0.003 A 538 HIS HE1 H 1 7.956 0.020 A 538 HIS C C 13 175.576 0.200 A 538 HIS CA C 13 57.622 0.090 A 538 HIS CB C 13 30.218 0.174 A 538 HIS CD2 C 13 120.370 0.081 A 538 HIS CE1 C 13 138.652 0.200 A 538 HIS N N 15 115.544 0.073 A 539 ILE H H 1 7.349 0.019 A 539 ILE HA H 1 4.421 0.023 A 539 ILE HB H 1 1.956 0.012 A 539 ILE HD1% H 1 0.880 0.075 A 539 ILE HG1y H 1 1.163 0.020 A 539 ILE HG1x H 1 1.055 0.002 A 539 ILE HG2% H 1 0.850 0.020 A 539 ILE C C 13 175.372 0.200 A 539 ILE CA C 13 60.301 0.142 A 539 ILE CB C 13 39.914 0.017 A 539 ILE CD1 C 13 13.980 0.023 A 539 ILE CG1 C 13 27.008 0.050 A 539 ILE CG2 C 13 17.735 0.042 A 539 ILE N N 15 112.631 0.012 A 540 CYS H H 1 7.148 0.003 A 540 CYS HA H 1 3.798 0.009 A 540 CYS HBy H 1 2.580 0.025 A 540 CYS HBx H 1 2.074 0.018 A 540 CYS C C 13 176.233 0.200 A 540 CYS CA C 13 61.874 0.026 A 540 CYS CB C 13 29.515 0.039 A 540 CYS N N 15 125.947 0.030 A 541 GLY H H 1 8.373 0.001 A 541 GLY HAy H 1 4.101 0.007 A 541 GLY HAx H 1 4.008 0.007 A 541 GLY C C 13 174.684 0.200 A 541 GLY CA C 13 45.632 0.237 A 541 GLY N N 15 111.807 0.016 A 542 GLN H H 1 8.083 0.012 A 542 GLN HA H 1 4.441 0.019 A 542 GLN HBx H 1 2.039 0.020 A 542 GLN HBy H 1 2.228 0.003 A 542 GLN HE21 H 1 6.850 0.008 A 542 GLN HE22 H 1 7.550 0.020 A 542 GLN HG2 H 1 2.375 0.020 A 542 GLN HG3 H 1 2.375 0.020 A 542 GLN C C 13 175.951 0.200 A 542 GLN CA C 13 55.739 0.001 A 542 GLN CB C 13 29.521 0.034 A 542 GLN CG C 13 33.781 0.099 A 542 GLN N N 15 119.284 0.028 A 542 GLN NE2 N 15 112.662 0.111 A 543 SER H H 1 8.422 0.020 A 543 SER HA H 1 4.517 0.002 A 543 SER HB2 H 1 3.936 0.020 A 543 SER HB3 H 1 3.936 0.020 A 543 SER C C 13 173.244 0.200 A 543 SER CA C 13 58.430 0.059 A 543 SER CB C 13 63.961 0.200 A 543 SER N N 15 117.440 0.123 A 544 ALA H H 1 8.078 0.020 A 544 ALA HA H 1 4.170 0.003 A 544 ALA HB% H 1 1.426 0.020 A 544 ALA CA C 13 53.905 0.040 A 544 ALA N N 15 131.567 0.010 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 524 CYS H A 525 SER H 1.0 1.8 3.37 2 2 A 535 ASP H A 536 HIS H 1.0 1.8 2.92 3 3 A 517 GLY H A 518 CYS H 1.0 1.8 3.19 4 4 A 505 VAL H A 506 ASN H 1.0 1.8 3.62 5 5 A 506 ASN H A 507 CYS H 1.0 1.8 3.23 6 6 A 506 ASN H A 508 GLY H 1.0 1.8 4.63 7 7 A 515 CYS H A 516 THR H 1.0 1.8 4.60 8 8 A 519 HIS H A 520 LYS H 1.0 1.8 3.44 9 9 A 520 LYS H A 521 VAL H 1.0 1.8 2.79 10 10 A 510 GLU H A 511 ALA H 1.0 1.8 4.13 11 11 A 515 CYS H A 514 GLU H 1.0 1.8 4.65 12 12 A 501 GLU H A 502 GLN H 1.0 1.8 3.61 13 13 A 527 PHE H A 528 CYS H 1.0 1.8 3.91 14 14 A 525 SER H A 512 MET H 1.0 1.8 5.21 15 15 A 522 ASN HD21 A 523 TYR H 1.0 1.8 4.77 16 16 A 524 CYS H A 512 MET H 1.0 1.8 4.92 17 17 A 512 MET H A 513 SER H 1.0 1.8 2.90 18 18 A 541 GLY H A 542 GLN H 1.0 1.8 3.62 19 19 A 503 SER H A 504 CYS H 1.0 1.8 4.56 20 20 A 531 LYS H A 533 TRP H 1.0 1.8 4.15 21 21 A 528 CYS H A 530 ARG H 1.0 1.8 4.45 22 22 A 530 ARG H A 529 GLN H 1.0 1.8 3.28 23 23 A 531 LYS H A 532 ASP H 1.0 1.8 3.29 24 24 A 505 VAL H A 507 CYS H 1.0 1.8 4.88 25 25 A 514 GLU H A 513 SER H 1.0 1.8 4.91 26 26 A 536 HIS H A 537 GLN H 1.0 1.8 3.48 27 27 A 537 GLN H A 534 LYS H 1.0 1.8 4.38 28 28 A 537 GLN H A 537 GLN HE22 1.0 1.8 5.42 29 29 A 511 ALA H A 504 CYS H 1.0 1.8 3.64 30 30 A 510 GLU H A 509 ARG H 1.0 1.8 4.17 31 31 A 523 TYR H A 513 SER H 1.0 1.8 4.44 32 32 A 537 GLN H A 537 GLN HE21 1.0 1.8 4.34 33 33 A 507 CYS H A 508 GLY H 1.0 1.8 3.17 34 34 A 533 TRP H A 532 ASP H 1.0 1.8 3.30 35 35 A 525 SER H A 528 CYS H 1.0 1.8 4.39 36 36 A 535 ASP H A 537 GLN H 1.0 1.8 4.08 37 37 A 529 GLN H A 532 ASP H 1.0 1.8 4.84 38 38 A 528 CYS H A 529 GLN H 1.0 1.8 3.36 39 39 A 525 SER H A 523 TYR H 1.0 1.8 5.55 40 40 A 539 ILE H A 540 CYS H 1.0 1.8 2.82 41 41 A 536 HIS H A 539 ILE H 1.0 1.8 4.85 42 42 A 537 GLN H A 539 ILE H 1.0 1.8 4.25 43 43 A 506 ASN H A 523 TYR HD% 1.0 1.8 4.68 44 44 A 536 HIS H A 536 HIS HD2 1.0 1.8 5.43 45 45 A 533 TRP H A 533 TRP HD1 1.0 1.8 5.36 46 46 A 519 HIS H A 519 HIS HD2 1.0 1.8 2.91 47 47 A 534 LYS H A 533 TRP HD1 1.0 1.8 4.82 48 48 A 537 GLN H A 538 HIS H 1.0 1.8 3.94 49 49 A 539 ILE H A 538 HIS H 1.0 1.8 3.66 50 50 A 537 GLN HE22 A 533 TRP HE1 1.0 1.8 4.60 51 51 A 523 TYR H A 523 TYR HD% 1.0 1.8 4.68 52 52 A 532 ASP H A 523 TYR HE% 1.0 1.8 4.90 53 53 A 515 CYS H A 523 TYR HE% 1.0 1.8 4.64 54 54 A 505 VAL H A 523 TYR HA 1.0 1.8 4.12 55 55 A 525 SER H A 523 TYR HA 1.0 1.8 4.56 56 56 A 522 ASN HD21 A 523 TYR HA 1.0 1.8 4.47 57 57 A 515 CYS H A 522 ASN HA 1.0 1.8 3.63 58 58 A 506 ASN HD22 A 507 CYS HA 1.0 1.8 5.38 59 59 A 523 TYR H A 522 ASN HA 1.0 1.8 2.96 60 60 A 515 CYS H A 514 GLU HA 1.0 1.8 2.89 61 61 A 520 LYS H A 518 CYS HA 1.0 1.8 4.53 62 62 A 517 GLY H A 518 CYS HA 1.0 1.8 4.88 63 63 A 511 ALA H A 503 SER HA 1.0 1.8 3.35 64 64 A 504 CYS H A 503 SER HA 1.0 1.8 2.97 65 65 A 521 VAL HA A 522 ASN H 1.0 1.8 2.79 66 66 A 520 LYS H A 521 VAL HA 1.0 1.8 5.07 67 67 A 541 GLY H A 542 GLN HA 1.0 1.8 5.16 68 68 A 522 ASN HD21 A 502 GLN HA 1.0 1.8 5.26 69 69 A 522 ASN HD21 A 521 VAL HA 1.0 1.8 5.68 70 70 A 502 GLN HA A 522 ASN HD22 1.0 1.8 4.46 71 71 A 521 VAL HA A 522 ASN HD22 1.0 1.8 5.01 72 72 A 516 THR H A 515 CYS HA 1.0 1.8 2.90 73 73 A 516 THR H A 516 THR HB 1.0 1.8 3.35 74 74 A 510 GLU H A 509 ARG HA 1.0 1.8 3.37 75 75 A 521 VAL H A 519 HIS HA 1.0 1.8 4.31 76 76 A 539 ILE H A 536 HIS HA 1.0 1.8 4.10 77 77 A 505 VAL H A 504 CYS HA 1.0 1.8 2.81 78 78 A 540 CYS H A 536 HIS HA 1.0 1.8 4.86 79 79 A 506 ASN H A 504 CYS HA 1.0 1.8 4.20 80 80 A 524 CYS H A 504 CYS HA 1.0 1.8 4.13 81 81 A 522 ASN H A 504 CYS HA 1.0 1.8 5.18 82 82 A 507 CYS H A 504 CYS HA 1.0 1.8 4.48 83 83 A 507 CYS H A 505 VAL HA 1.0 1.8 4.99 84 84 A 529 GLN H A 526 THR HA 1.0 1.8 3.39 85 85 A 530 ARG H A 526 THR HA 1.0 1.8 4.46 86 86 A 530 ARG H A 528 CYS HA 1.0 1.8 4.97 87 87 A 512 MET H A 511 ALA HA 1.0 1.8 3.13 88 88 A 513 SER H A 511 ALA HA 1.0 1.8 3.79 89 89 A 533 TRP H A 530 ARG HA 1.0 1.8 3.66 90 90 A 513 SER H A 513 SER HB2 1.0 1.8 3.22 91 90 A 513 SER H A 513 SER HB3 1.0 1.8 3.22 92 91 A 523 TYR H A 513 SER HB2 1.0 1.8 4.79 93 91 A 523 TYR H A 513 SER HB3 1.0 1.8 4.79 94 92 A 537 GLN H A 534 LYS HA 1.0 1.8 4.42 95 93 A 539 ILE H A 540 CYS HA 1.0 1.8 4.95 96 94 A 541 GLY H A 540 CYS HA 1.0 1.8 3.01 97 95 A 537 GLN HE21 A 534 LYS HA 1.0 1.8 3.47 98 96 A 537 GLN HE22 A 534 LYS HA 1.0 1.8 3.62 99 97 A 506 ASN H A 506 ASN HBx 1.0 1.8 3.77 100 98 A 519 HIS H A 519 HIS HBx 1.0 1.8 3.84 101 99 A 507 CYS H A 506 ASN HBx 1.0 1.8 3.76 102 100 A 533 TRP H A 533 TRP HBy 1.0 1.8 3.01 103 101 A 534 LYS H A 533 TRP HBy 1.0 1.8 4.09 104 102 A 535 ASP H A 536 HIS HBy 1.0 1.8 4.69 105 103 A 537 GLN H A 536 HIS HBy 1.0 1.8 4.00 106 104 A 505 VAL H A 504 CYS HBx 1.0 1.8 4.65 107 105 A 506 ASN H A 504 CYS HBx 1.0 1.8 4.74 108 106 A 507 CYS H A 504 CYS HBx 1.0 1.8 3.58 109 107 A 533 TRP H A 533 TRP HBx 1.0 1.8 3.08 110 108 A 524 CYS H A 523 TYR HBx 1.0 1.8 3.42 111 109 A 534 LYS H A 533 TRP HBx 1.0 1.8 3.61 112 110 A 523 TYR H A 523 TYR HBx 1.0 1.8 4.02 113 111 A 525 SER H A 523 TYR HBx 1.0 1.8 3.23 114 112 A 515 CYS H A 515 CYS HBy 1.0 1.8 3.40 115 113 A 510 GLU H A 509 ARG HD2 1.0 1.8 5.01 116 113 A 510 GLU H A 509 ARG HD3 1.0 1.8 5.01 117 114 A 519 HIS H A 518 CYS HBx 1.0 1.8 4.22 118 115 A 507 CYS H A 507 CYS HBy 1.0 1.8 3.84 119 116 A 527 PHE H A 527 PHE HB2 1.0 1.8 3.18 120 116 A 527 PHE H A 527 PHE HB3 1.0 1.8 3.18 121 117 A 506 ASN HD21 A 507 CYS HBy 1.0 1.8 5.38 122 118 A 520 LYS H A 518 CYS HBx 1.0 1.8 4.61 123 119 A 518 CYS H A 518 CYS HBx 1.0 1.8 3.59 124 120 A 541 GLY H A 518 CYS HBx 1.0 1.8 3.97 125 121 A 537 GLN H A 536 HIS HBx 1.0 1.8 4.00 126 122 A 530 ARG H A 530 ARG HD2 1.0 1.8 4.69 127 122 A 530 ARG H A 530 ARG HD3 1.0 1.8 4.69 128 123 A 539 ILE H A 538 HIS HBx 1.0 1.8 4.30 129 124 A 540 CYS H A 537 GLN HA 1.0 1.8 3.96 130 125 A 516 THR H A 515 CYS HBx 1.0 1.8 4.58 131 126 A 515 CYS H A 515 CYS HBx 1.0 1.8 3.27 132 127 A 533 TRP H A 532 ASP HBy 1.0 1.8 4.15 133 128 A 518 CYS H A 515 CYS HBx 1.0 1.8 5.17 134 129 A 534 LYS H A 535 ASP HBy 1.0 1.8 5.37 135 130 A 536 HIS H A 535 ASP HBy 1.0 1.8 3.32 136 131 A 535 ASP H A 535 ASP HBy 1.0 1.8 2.90 137 132 A 505 VAL H A 504 CYS HBy 1.0 1.8 4.51 138 133 A 504 CYS H A 504 CYS HBy 1.0 1.8 3.37 139 134 A 512 MET H A 504 CYS HBy 1.0 1.8 5.64 140 135 A 533 TRP H A 532 ASP HBx 1.0 1.8 4.06 141 136 A 532 ASP H A 532 ASP HBx 1.0 1.8 3.28 142 137 A 540 CYS H A 540 CYS HBy 1.0 1.8 3.26 143 138 A 539 ILE H A 540 CYS HBy 1.0 1.8 4.32 144 139 A 529 GLN H A 523 TYR HBy 1.0 1.8 4.82 145 140 A 523 TYR H A 523 TYR HBy 1.0 1.8 3.73 146 141 A 513 SER H A 523 TYR HBy 1.0 1.8 5.61 147 142 A 507 CYS H A 507 CYS HBx 1.0 1.8 3.84 148 143 A 505 VAL H A 505 VAL HB 1.0 1.8 3.68 149 144 A 542 GLN H A 542 GLN HG2 1.0 1.8 3.79 150 144 A 542 GLN H A 542 GLN HG3 1.0 1.8 3.79 151 145 A 514 GLU H A 514 GLU HGy 1.0 1.8 3.79 152 146 A 515 CYS H A 514 GLU HGy 1.0 1.8 4.78 153 147 A 510 GLU H A 510 GLU HG2 1.0 1.8 4.06 154 147 A 510 GLU H A 510 GLU HG3 1.0 1.8 4.06 155 148 A 502 GLN H A 502 GLN HG2 1.0 1.8 3.69 156 148 A 502 GLN H A 502 GLN HG3 1.0 1.8 3.69 157 149 A 503 SER H A 502 GLN HG2 1.0 1.8 4.30 158 149 A 503 SER H A 502 GLN HG3 1.0 1.8 4.30 159 150 A 522 ASN H A 522 ASN HBy 1.0 1.8 3.60 160 151 A 522 ASN HD21 A 522 ASN HBy 1.0 1.8 3.36 161 152 A 522 ASN HD22 A 522 ASN HBy 1.0 1.8 3.74 162 153 A 513 SER H A 512 MET HBy 1.0 1.8 4.26 163 154 A 523 TYR H A 522 ASN HBy 1.0 1.8 3.43 164 155 A 515 CYS H A 514 GLU HGx 1.0 1.8 4.78 165 156 A 520 LYS H A 520 LYS HB2 1.0 1.8 2.98 166 156 A 520 LYS H A 520 LYS HB3 1.0 1.8 2.98 167 157 A 519 HIS H A 520 LYS HB2 1.0 1.8 4.51 168 157 A 519 HIS H A 520 LYS HB3 1.0 1.8 4.51 169 158 A 521 VAL H A 520 LYS HB2 1.0 1.8 3.75 170 158 A 521 VAL H A 520 LYS HB3 1.0 1.8 3.75 171 159 A 514 GLU H A 514 GLU HGx 1.0 1.8 3.79 172 160 A 541 GLY H A 540 CYS HBx 1.0 1.8 4.09 173 161 A 540 CYS H A 540 CYS HBx 1.0 1.8 3.19 174 162 A 502 GLN H A 502 GLN HBy 1.0 1.8 3.86 175 163 A 512 MET H A 512 MET HBx 1.0 1.8 3.96 176 164 A 513 SER H A 512 MET HBx 1.0 1.8 4.26 177 165 A 536 HIS H A 534 LYS HBy 1.0 1.8 5.29 178 166 A 533 TRP H A 531 LYS HBy 1.0 1.8 5.88 179 167 A 533 TRP H A 531 LYS HD2 1.0 1.8 6.02 180 167 A 533 TRP H A 531 LYS HD3 1.0 1.8 6.02 181 168 A 533 TRP H A 534 LYS HBy 1.0 1.8 6.24 182 169 A 510 GLU H A 510 GLU HBx 1.0 1.8 2.95 183 170 A 529 GLN H A 529 GLN HBx 1.0 1.8 2.80 184 171 A 528 CYS H A 529 GLN HBx 1.0 1.8 4.54 185 172 A 530 ARG H A 529 GLN HBx 1.0 1.8 3.05 186 173 A 534 LYS H A 534 LYS HBy 1.0 1.8 2.76 187 174 A 535 ASP H A 534 LYS HBy 1.0 1.8 3.50 188 175 A 532 ASP H A 531 LYS HBy 1.0 1.8 3.92 189 176 A 532 ASP H A 531 LYS HD2 1.0 1.8 4.03 190 176 A 532 ASP H A 531 LYS HD3 1.0 1.8 4.03 191 177 A 523 TYR H A 514 GLU HB2 1.0 1.8 4.66 192 177 A 523 TYR H A 514 GLU HB3 1.0 1.8 4.66 193 178 A 539 ILE H A 539 ILE HB 1.0 1.8 3.70 194 179 A 537 GLN HE21 A 534 LYS HBy 1.0 1.8 4.85 195 180 A 537 GLN HE22 A 534 LYS HBy 1.0 1.8 5.70 196 181 A 514 GLU H A 514 GLU HB2 1.0 1.8 3.11 197 181 A 514 GLU H A 514 GLU HB3 1.0 1.8 3.11 198 182 A 515 CYS H A 514 GLU HB2 1.0 1.8 3.27 199 182 A 515 CYS H A 514 GLU HB3 1.0 1.8 3.27 200 183 A 502 GLN H A 502 GLN HBx 1.0 1.8 3.86 201 184 A 509 ARG H A 509 ARG HBy 1.0 1.8 3.98 202 185 A 532 ASP H A 531 LYS HBx 1.0 1.8 3.92 203 186 A 531 LYS H A 530 ARG HB2 1.0 1.8 3.36 204 186 A 531 LYS H A 530 ARG HB3 1.0 1.8 3.36 205 187 A 531 LYS H A 531 LYS HBx 1.0 1.8 3.70 206 188 A 533 TRP H A 530 ARG HB2 1.0 1.8 5.29 207 188 A 533 TRP H A 530 ARG HB3 1.0 1.8 5.29 208 189 A 533 TRP H A 531 LYS HBx 1.0 1.8 5.88 209 190 A 522 ASN H A 521 VAL HB 1.0 1.8 3.16 210 191 A 529 GLN H A 530 ARG HB2 1.0 1.8 4.68 211 191 A 529 GLN H A 530 ARG HB3 1.0 1.8 4.68 212 192 A 530 ARG H A 530 ARG HB2 1.0 1.8 2.74 213 192 A 530 ARG H A 530 ARG HB3 1.0 1.8 2.74 214 193 A 534 LYS H A 534 LYS HG2 1.0 1.8 3.52 215 193 A 534 LYS H A 534 LYS HG3 1.0 1.8 3.52 216 194 A 537 GLN H A 537 GLN HGy 1.0 1.8 3.35 217 195 A 537 GLN HE21 A 537 GLN HGy 1.0 1.8 3.53 218 196 A 537 GLN HE22 A 534 LYS HG2 1.0 1.8 4.27 219 196 A 537 GLN HE22 A 534 LYS HG3 1.0 1.8 4.27 220 197 A 517 GLY H A 516 THR HG2% 1.0 1.8 4.58 221 198 A 527 PHE H A 526 THR HG2% 1.0 1.8 4.81 222 199 A 529 GLN H A 529 GLN HBy 1.0 1.8 3.30 223 200 A 528 CYS H A 526 THR HG2% 1.0 1.8 5.82 224 201 A 528 CYS H A 529 GLN HBy 1.0 1.8 6.34 225 202 A 530 ARG H A 526 THR HG2% 1.0 1.8 3.92 226 203 A 540 CYS H A 539 ILE HG1y 1.0 1.8 3.90 227 204 A 539 ILE H A 539 ILE HG1y 1.0 1.8 3.94 228 205 A 506 ASN H A 505 VAL HGx% 1.0 1.8 4.47 229 206 A 522 ASN H A 505 VAL HGx% 1.0 1.8 4.63 230 207 A 522 ASN H A 505 VAL HGy% 1.0 1.8 4.63 231 208 A 507 CYS H A 505 VAL HGx% 1.0 1.8 6.06 232 209 A 507 CYS H A 505 VAL HGy% 1.0 1.8 6.06 233 210 A 533 TRP HE1 A 537 GLN HBy 1.0 1.8 4.82 234 211 A 511 ALA H A 511 ALA HB% 1.0 1.8 3.23 235 212 A 504 CYS H A 511 ALA HB% 1.0 1.8 3.65 236 213 A 524 CYS H A 511 ALA HB% 1.0 1.8 4.41 237 214 A 512 MET H A 511 ALA HB% 1.0 1.8 3.90 238 215 A 503 SER H A 511 ALA HB% 1.0 1.8 4.47 239 216 A 513 SER H A 511 ALA HB% 1.0 1.8 3.98 240 217 A 523 TYR H A 511 ALA HB% 1.0 1.8 3.88 241 218 A 522 ASN HD21 A 511 ALA HB% 1.0 1.8 4.35 242 219 A 522 ASN HD22 A 511 ALA HB% 1.0 1.8 4.60 243 220 A 537 GLN HE21 A 537 GLN HBy 1.0 1.8 4.82 244 221 A 540 CYS H A 539 ILE HD1% 1.0 1.8 4.05 245 222 A 521 VAL H A 521 VAL HGx% 1.0 1.8 3.71 246 223 A 537 GLN H A 537 GLN HGx 1.0 1.8 4.00 247 224 A 515 CYS H A 521 VAL HGy% 1.0 1.8 4.02 248 225 A 520 LYS H A 521 VAL HGy% 1.0 1.8 4.13 249 226 A 521 VAL H A 521 VAL HGy% 1.0 1.8 3.23 250 227 A 537 GLN HE21 A 537 GLN HBx 1.0 1.8 4.82 251 228 A 533 TRP HE1 A 537 GLN HBx 1.0 1.8 4.82 252 229 A 537 GLN HE22 A 537 GLN HBx 1.0 1.8 5.01 253 230 A 513 SER H A 524 CYS HA 1.0 1.8 3.57 254 231 A 537 GLN H A 533 TRP HA 1.0 1.8 4.12 255 232 A 503 SER H A 502 GLN HA 1.0 1.8 2.76 256 233 A 538 HIS H A 538 HIS HBy 1.0 1.8 4.19 257 234 A 538 HIS H A 538 HIS HBx 1.0 1.8 4.19 258 235 A 536 HIS H A 536 HIS HBy 1.0 1.8 3.33 259 236 A 536 HIS H A 536 HIS HBx 1.0 1.8 3.33 260 237 A 535 ASP H A 536 HIS HA 1.0 1.8 4.86 261 238 A 532 ASP H A 532 ASP HBy 1.0 1.8 3.22 262 239 A 528 CYS H A 527 PHE HB2 1.0 1.8 3.13 263 239 A 528 CYS H A 527 PHE HB3 1.0 1.8 3.13 264 240 A 528 CYS H A 528 CYS HBy 1.0 1.8 3.34 265 241 A 514 GLU H A 513 SER HB2 1.0 1.8 3.32 266 241 A 514 GLU H A 513 SER HB3 1.0 1.8 3.32 267 242 A 524 CYS H A 523 TYR HA 1.0 1.8 3.15 268 243 A 523 TYR H A 514 GLU HA 1.0 1.8 3.67 269 244 A 522 ASN HD21 A 522 ASN H 1.0 1.8 4.04 270 245 A 508 GLY H A 504 CYS HBx 1.0 1.8 3.39 271 246 A 514 GLU H A 513 SER HA 1.0 1.8 2.67 272 247 A 537 GLN H A 540 CYS H 1.0 1.8 5.06 273 248 A 508 GLY H A 504 CYS HBy 1.0 1.8 4.29 274 249 A 520 LYS H A 521 VAL HGx% 1.0 1.8 4.58 275 250 A 531 LYS H A 529 GLN H 1.0 1.8 4.92 276 251 A 531 LYS H A 530 ARG HD2 1.0 1.8 5.47 277 251 A 531 LYS H A 530 ARG HD3 1.0 1.8 5.47 278 252 A 532 ASP H A 533 TRP HBy 1.0 1.8 4.94 279 253 A 532 ASP H A 533 TRP HBx 1.0 1.8 5.17 280 254 A 534 LYS H A 537 GLN HE21 1.0 1.8 5.06 281 255 A 536 HIS H A 534 LYS HG2 1.0 1.8 5.63 282 255 A 536 HIS H A 534 LYS HG3 1.0 1.8 5.63 283 256 A 536 HIS H A 537 GLN HGy 1.0 1.8 5.84 284 257 A 540 CYS H A 538 HIS H 1.0 1.8 4.98 285 258 A 533 TRP HE1 A 533 TRP HBx 1.0 1.8 5.07 286 259 A 538 HIS H A 539 ILE HB 1.0 1.8 6.19 287 260 A 507 CYS H A 506 ASN HD21 1.0 1.8 5.09 288 261 A 505 VAL H A 504 CYS H 1.0 1.8 4.93 289 262 A 524 CYS H A 505 VAL H 1.0 1.8 5.52 290 263 A 505 VAL H A 521 VAL HB 1.0 1.8 5.10 291 264 A 508 GLY H A 504 CYS H 1.0 1.8 5.00 292 265 A 504 CYS H A 509 ARG H 1.0 1.8 5.02 293 266 A 509 ARG H A 509 ARG HD2 1.0 1.8 4.59 294 266 A 509 ARG H A 509 ARG HD3 1.0 1.8 4.59 295 267 A 527 PHE H A 527 PHE HD% 1.0 1.8 4.82 296 268 A 517 GLY H A 518 CYS HBx 1.0 1.8 5.65 297 269 A 522 ASN H A 522 ASN HD22 1.0 1.8 4.34 298 270 A 522 ASN HA A 522 ASN HD22 1.0 1.8 5.24 299 271 A 524 CYS H A 523 TYR H 1.0 1.8 5.01 300 272 A 523 TYR H A 504 CYS HA 1.0 1.8 4.94 301 273 A 524 CYS H A 523 TYR HD% 1.0 1.8 5.79 302 274 A 528 CYS H A 506 ASN HD21 1.0 1.8 6.09 303 275 A 529 GLN H A 523 TYR HD% 1.0 1.8 5.23 304 276 A 536 HIS H A 533 TRP H 1.0 1.8 5.11 305 277 A 535 ASP H A 534 LYS H 1.0 1.8 3.39 306 278 A 537 GLN HE21 A 533 TRP HE1 1.0 1.8 5.11 307 279 A 536 HIS H A 539 ILE HG1x 1.0 1.8 5.30 308 280 A 536 HIS H A 537 GLN HE21 1.0 1.8 6.24 309 281 A 536 HIS H A 538 HIS H 1.0 1.8 6.43 310 282 A 536 HIS H A 534 LYS H 1.0 1.8 4.43 311 283 A 525 SER H A 529 GLN HBy 1.0 1.8 5.79 312 284 A 519 HIS H A 521 VAL HGy% 1.0 1.8 5.93 313 285 A 506 ASN H A 523 TYR HA 1.0 1.8 5.03 314 286 A 506 ASN H A 528 CYS HBx 1.0 1.8 5.00 315 287 A 501 GLU H A 499 ALA HB% 1.0 1.8 5.77 316 288 A 515 CYS H A 523 TYR HD% 1.0 1.8 4.67 317 289 A 515 CYS H A 516 THR HA 1.0 1.8 5.56 318 290 A 516 THR H A 514 GLU HB2 1.0 1.8 5.77 319 290 A 516 THR H A 514 GLU HB3 1.0 1.8 5.77 320 291 A 511 ALA H A 524 CYS HBx 1.0 1.8 5.06 321 292 A 504 CYS H A 523 TYR HA 1.0 1.8 5.26 322 293 A 507 CYS H A 504 CYS H 1.0 1.8 5.02 323 294 A 505 VAL H A 523 TYR HD% 1.0 1.8 5.45 324 295 A 521 VAL H A 518 CYS HA 1.0 1.8 5.85 325 296 A 541 GLY H A 539 ILE HD1% 1.0 1.8 5.53 326 297 A 518 CYS H A 521 VAL HGy% 1.0 1.8 5.34 327 298 A 523 TYR H A 521 VAL HGy% 1.0 1.8 5.68 328 299 A 513 SER H A 523 TYR HBx 1.0 1.8 5.56 329 300 A 524 CYS H A 529 GLN HA 1.0 1.8 6.13 330 301 A 524 CYS H A 506 ASN H 1.0 1.8 5.66 331 302 A 523 TYR H A 522 ASN HD22 1.0 1.8 6.24 332 303 A 502 GLN HE21 A 501 GLU HB2 1.0 1.8 5.09 333 303 A 501 GLU HB3 A 502 GLN HE21 1.0 1.8 5.09 334 304 A 502 GLN HE22 A 501 GLU HB2 1.0 1.8 5.09 335 304 A 501 GLU HB3 A 502 GLN HE22 1.0 1.8 5.09 336 305 A 522 ASN HD21 A 503 SER H 1.0 1.8 5.19 337 306 A 503 SER H A 522 ASN HD22 1.0 1.8 5.14 338 307 A 504 CYS H A 509 ARG HA 1.0 1.8 5.39 339 308 A 507 CYS H A 506 ASN HD22 1.0 1.8 5.72 340 309 A 509 ARG H A 509 ARG HBx 1.0 1.8 3.98 341 310 A 510 GLU H A 504 CYS H 1.0 1.8 5.47 342 311 A 510 GLU H A 503 SER HA 1.0 1.8 4.82 343 312 A 517 GLY H A 515 CYS H 1.0 1.8 6.50 344 313 A 523 TYR HA A 522 ASN H 1.0 1.8 5.89 345 314 A 514 GLU HA A 522 ASN H 1.0 1.8 5.63 346 315 A 522 ASN H A 521 VAL HGx% 1.0 1.8 4.00 347 316 A 524 CYS H A 523 TYR HBy 1.0 1.8 3.93 348 317 A 525 SER H A 504 CYS HA 1.0 1.8 6.13 349 318 A 527 PHE H A 529 GLN H 1.0 1.8 5.07 350 319 A 529 GLN H A 523 TYR HA 1.0 1.8 6.42 351 320 A 529 GLN H A 527 PHE HA 1.0 1.8 4.58 352 321 A 530 ARG H A 527 PHE HB2 1.0 1.8 5.35 353 321 A 530 ARG H A 527 PHE HB3 1.0 1.8 5.35 354 322 A 530 ARG H A 533 TRP HBy 1.0 1.8 5.51 355 323 A 533 TRP H A 530 ARG H 1.0 1.8 6.07 356 324 A 531 LYS H A 527 PHE HD% 1.0 1.8 5.67 357 325 A 531 LYS H A 527 PHE HB2 1.0 1.8 5.70 358 325 A 531 LYS H A 527 PHE HB3 1.0 1.8 5.70 359 326 A 531 LYS H A 532 ASP HBx 1.0 1.8 5.57 360 327 A 532 ASP H A 523 TYR HE% 1.0 1.8 6.42 361 328 A 533 TRP H A 534 LYS HG2 1.0 1.8 5.30 362 328 A 533 TRP H A 534 LYS HG3 1.0 1.8 5.30 363 329 A 533 TRP HE1 A 537 GLN HA 1.0 1.8 5.56 364 330 A 533 TRP HE1 A 534 LYS HA 1.0 1.8 6.13 365 331 A 537 GLN H A 533 TRP HE1 1.0 1.8 5.67 366 332 A 536 HIS H A 534 LYS HA 1.0 1.8 5.01 367 333 A 534 LYS H A 537 GLN HE22 1.0 1.8 5.45 368 334 A 542 GLN H A 540 CYS H 1.0 1.8 6.50 369 335 A 542 GLN H A 540 CYS HA 1.0 1.8 5.21 370 336 A 540 CYS H A 518 CYS HBx 1.0 1.8 6.21 371 337 A 539 ILE H A 539 ILE HG1x 1.0 1.8 3.33 372 338 A 539 ILE H A 539 ILE HG2% 1.0 1.8 3.54 373 339 A 540 CYS H A 539 ILE HG1x 1.0 1.8 3.99 374 340 A 518 CYS H A 518 CYS HBy 1.0 1.8 4.08 375 341 A 510 GLU H A 510 GLU HBy 1.0 1.8 2.95 376 342 A 505 VAL H A 521 VAL HGy% 1.0 1.8 5.84 377 343 A 505 VAL H A 523 TYR HD% 1.0 1.8 6.50 378 344 A 527 PHE H A 525 SER HBy 1.0 1.8 4.47 379 345 A 523 TYR H A 522 ASN HBx 1.0 1.8 3.58 380 346 A 507 CYS H A 506 ASN HBy 1.0 1.8 4.42 381 347 A 525 SER H A 523 TYR HBy 1.0 1.8 3.89 382 348 A 537 GLN HA A 533 TRP HH2 1.0 1.8 4.08 383 349 A 519 HIS HD2 A 518 CYS HA 1.0 1.8 4.53 384 350 A 523 TYR HE% A 515 CYS HA 1.0 1.8 4.36 385 351 A 523 TYR HA A 504 CYS HA 1.0 1.8 3.91 386 352 A 511 ALA HA A 524 CYS HA 1.0 1.8 3.24 387 353 A 509 ARG HA A 509 ARG HD2 1.0 1.8 4.34 388 353 A 509 ARG HA A 509 ARG HD3 1.0 1.8 4.34 389 354 A 511 ALA HA A 524 CYS HBy 1.0 1.8 4.24 390 355 A 530 ARG HA A 533 TRP HBx 1.0 1.8 3.93 391 356 A 527 PHE HB3 A 525 SER HBy 1.0 1.8 4.48 392 356 A 525 SER HBy A 527 PHE HB2 1.0 1.8 4.48 393 357 A 526 THR HB A 527 PHE HB2 1.0 1.8 4.48 394 357 A 527 PHE HB3 A 526 THR HB 1.0 1.8 4.48 395 358 A 527 PHE HB3 A 525 SER HBx 1.0 1.8 4.48 396 358 A 525 SER HBx A 527 PHE HB2 1.0 1.8 4.48 397 359 A 540 CYS HA A 518 CYS HBx 1.0 1.8 3.82 398 360 A 528 CYS HBx A 506 ASN HBy 1.0 1.8 3.98 399 361 A 511 ALA HA A 504 CYS HBy 1.0 1.8 4.23 400 362 A 510 GLU HA A 510 GLU HG2 1.0 1.8 3.48 401 362 A 510 GLU HG3 A 510 GLU HA 1.0 1.8 3.48 402 363 A 504 CYS HA A 522 ASN HBy 1.0 1.8 4.59 403 364 A 526 THR HA A 529 GLN HBx 1.0 1.8 3.25 404 365 A 539 ILE HB A 539 ILE HA 1.0 1.8 2.99 405 366 A 532 ASP HBy A 531 LYS HD2 1.0 1.8 4.82 406 366 A 532 ASP HBy A 531 LYS HD3 1.0 1.8 4.82 407 367 A 532 ASP HBx A 531 LYS HD2 1.0 1.8 5.20 408 367 A 532 ASP HBx A 531 LYS HD3 1.0 1.8 5.20 409 368 A 534 LYS HD2 A 534 LYS HE2 1.0 1.8 2.90 410 368 A 534 LYS HD3 A 534 LYS HE2 1.0 1.8 2.90 411 368 A 534 LYS HE3 A 534 LYS HD2 1.0 1.8 2.90 412 368 A 534 LYS HD3 A 534 LYS HE3 1.0 1.8 2.90 413 369 A 527 PHE HA A 530 ARG HB2 1.0 1.8 3.71 414 369 A 530 ARG HB3 A 527 PHE HA 1.0 1.8 3.71 415 370 A 530 ARG HA A 530 ARG HGy 1.0 1.8 3.94 416 371 A 530 ARG HB2 A 530 ARG HD2 1.0 1.8 3.03 417 371 A 530 ARG HB3 A 530 ARG HD2 1.0 1.8 3.03 418 371 A 530 ARG HD3 A 530 ARG HB2 1.0 1.8 3.03 419 371 A 530 ARG HD3 A 530 ARG HB3 1.0 1.8 3.03 420 372 A 534 LYS HA A 534 LYS HG2 1.0 1.8 3.46 421 372 A 534 LYS HA A 534 LYS HG3 1.0 1.8 3.46 422 373 A 499 ALA HB% A 500 MET HA 1.0 1.8 4.34 423 374 A 523 TYR HBx A 529 GLN HBy 1.0 1.8 4.54 424 375 A 523 TYR HBy A 529 GLN HBy 1.0 1.8 4.58 425 376 A 515 CYS HA A 529 GLN HBy 1.0 1.8 3.96 426 377 A 536 HIS HA A 539 ILE HG1x 1.0 1.8 3.53 427 378 A 504 CYS HA A 511 ALA HB% 1.0 1.8 3.58 428 379 A 511 ALA HB% A 510 GLU HA 1.0 1.8 4.79 429 380 A 506 ASN HA A 505 VAL HGx% 1.0 1.8 4.75 430 381 A 506 ASN HA A 505 VAL HGy% 1.0 1.8 4.75 431 382 A 502 GLN HA A 511 ALA HB% 1.0 1.8 4.34 432 383 A 522 ASN HA A 511 ALA HB% 1.0 1.8 4.61 433 384 A 522 ASN HBy A 511 ALA HB% 1.0 1.8 3.56 434 385 A 511 ALA HB% A 522 ASN HBx 1.0 1.8 3.93 435 386 A 506 ASN HBy A 505 VAL HGx% 1.0 1.8 6.13 436 387 A 506 ASN HBy A 505 VAL HGy% 1.0 1.8 6.13 437 388 A 539 ILE HG2% A 539 ILE HA 1.0 1.8 3.20 438 389 A 537 GLN HGx A 538 HIS HA 1.0 1.8 4.52 439 390 A 521 VAL HA A 521 VAL HGy% 1.0 1.8 3.82 440 391 A 511 ALA H A 509 ARG HA 1.0 1.8 4.66 441 392 A 527 PHE H A 526 THR HB 1.0 1.8 4.21 442 393 A 511 ALA H A 510 GLU HA 1.0 1.8 3.34 443 394 A 526 THR HA A 529 GLN HA 1.0 1.8 5.17 444 395 A 529 GLN HBx A 526 THR HB 1.0 1.8 5.28 445 396 A 518 CYS HA A 540 CYS HA 1.0 1.8 6.17 446 397 A 526 THR HG2% A 527 PHE HA 1.0 1.8 4.72 447 398 A 506 ASN HD22 A 506 ASN HA 1.0 1.8 4.88 448 399 A 520 LYS HA A 520 LYS HE2 1.0 1.8 4.75 449 399 A 520 LYS HA A 520 LYS HE3 1.0 1.8 4.75 450 400 A 503 SER HA A 522 ASN HBy 1.0 1.8 5.63 451 401 A 520 LYS HA A 520 LYS HB2 1.0 1.8 2.99 452 401 A 520 LYS HB3 A 520 LYS HA 1.0 1.8 2.99 453 402 A 520 LYS HA A 520 LYS HGy 1.0 1.8 3.93 454 403 A 534 LYS HA A 534 LYS HE2 1.0 1.8 4.80 455 403 A 534 LYS HA A 534 LYS HE3 1.0 1.8 4.80 456 404 A 532 ASP HBy A 505 VAL HGx% 1.0 1.8 6.46 457 405 A 532 ASP HBy A 505 VAL HGy% 1.0 1.8 6.46 458 406 A 539 ILE H A 538 HIS HBy 1.0 1.8 4.30 459 407 A 536 HIS HD2 A 540 CYS HBy 1.0 1.8 3.41 460 408 A 501 GLU H A 501 GLU HB2 1.0 1.8 3.54 461 408 A 501 GLU H A 501 GLU HB3 1.0 1.8 3.54 462 409 A 503 SER H A 502 GLN HBx 1.0 1.8 4.03 463 410 A 509 ARG H A 509 ARG HG2 1.0 1.8 5.06 464 410 A 509 ARG H A 509 ARG HG3 1.0 1.8 5.06 465 411 A 520 LYS HA A 520 LYS HD2 1.0 1.8 4.63 466 411 A 520 LYS HA A 520 LYS HD3 1.0 1.8 4.63 467 412 A 534 LYS HA A 534 LYS HD2 1.0 1.8 4.58 468 412 A 534 LYS HA A 534 LYS HD3 1.0 1.8 4.58 469 413 A 540 CYS HA A 520 LYS HD2 1.0 1.8 5.00 470 413 A 540 CYS HA A 520 LYS HD3 1.0 1.8 5.00 471 414 A 530 ARG H A 529 GLN HBy 1.0 1.8 4.59 472 415 A 526 THR HA A 529 GLN HBy 1.0 1.8 4.39 473 416 A 514 GLU HA A 515 CYS HBy 1.0 1.8 5.24 474 417 A 524 CYS H A 528 CYS HBy 1.0 1.8 4.72 475 418 A 524 CYS H A 528 CYS HBx 1.0 1.8 4.86 476 419 A 506 ASN HD21 A 528 CYS HBy 1.0 1.8 5.04 477 420 A 506 ASN HD21 A 528 CYS HBx 1.0 1.8 4.45 478 421 A 506 ASN H A 505 VAL HB 1.0 1.8 5.11 479 422 A 516 THR H A 515 CYS HBy 1.0 1.8 4.47 480 423 A 511 ALA H A 504 CYS HBy 1.0 1.8 4.99 481 424 A 534 LYS H A 534 LYS HBx 1.0 1.8 3.73 482 425 A 525 SER H A 528 CYS HBy 1.0 1.8 4.58 483 426 A 529 GLN H A 528 CYS HBy 1.0 1.8 4.86 484 427 A 525 SER H A 528 CYS HBx 1.0 1.8 4.71 485 428 A 539 ILE H A 537 GLN HGx 1.0 1.8 5.09 486 429 A 539 ILE H A 537 GLN HGy 1.0 1.8 5.09 487 430 A 514 GLU HA A 515 CYS HBx 1.0 1.8 4.92 488 431 A 511 ALA HA A 524 CYS HBx 1.0 1.8 4.24 489 432 A 506 ASN HBx A 528 CYS HBy 1.0 1.8 4.41 490 433 A 506 ASN HBx A 528 CYS HBx 1.0 1.8 3.85 491 434 A 511 ALA HB% A 524 CYS HBy 1.0 1.8 4.72 492 435 A 511 ALA HB% A 524 CYS HBx 1.0 1.8 4.72 493 436 A 504 CYS HBx A 511 ALA HB% 1.0 1.8 4.51 494 437 A 539 ILE HG2% A 538 HIS HBy 1.0 1.8 4.42 495 438 A 539 ILE HG1y A 520 LYS HD2 1.0 1.8 4.58 496 438 A 539 ILE HG1y A 520 LYS HD3 1.0 1.8 4.58 497 439 A 511 ALA HB% A 502 GLN HBy 1.0 1.8 4.16 498 440 A 540 CYS HBy A 539 ILE HD1% 1.0 1.8 5.19 499 441 A 539 ILE HG2% A 538 HIS HBx 1.0 1.8 4.42 500 442 A 539 ILE HD1% A 520 LYS HD2 1.0 1.8 4.03 501 442 A 539 ILE HD1% A 520 LYS HD3 1.0 1.8 4.03 502 443 A 509 ARG HD3 A 509 ARG HBy 1.0 1.8 4.17 503 443 A 509 ARG HBy A 509 ARG HD2 1.0 1.8 4.17 504 444 A 509 ARG HD3 A 509 ARG HBx 1.0 1.8 4.17 505 444 A 509 ARG HBx A 509 ARG HD2 1.0 1.8 4.17 506 445 A 534 LYS HBy A 534 LYS HE2 1.0 1.8 5.03 507 445 A 534 LYS HBy A 534 LYS HE3 1.0 1.8 5.03 508 446 A 530 ARG H A 530 ARG HGy 1.0 1.8 4.94 509 447 A 531 LYS H A 530 ARG HGy 1.0 1.8 5.44 510 448 A 530 ARG H A 530 ARG HGx 1.0 1.8 4.94 511 449 A 531 LYS H A 530 ARG HGx 1.0 1.8 5.44 512 450 A 539 ILE HG1y A 538 HIS HE1 1.0 1.8 5.78 513 451 A 536 HIS HA A 539 ILE HG1y 1.0 1.8 4.48 514 452 A 519 HIS HA A 514 GLU HB2 1.0 1.8 4.13 515 452 A 519 HIS HA A 514 GLU HB3 1.0 1.8 4.13 516 453 A 505 VAL HB A 521 VAL HGy% 1.0 1.8 5.69 517 454 A 506 ASN HD21 A 507 CYS HBx 1.0 1.8 5.38 518 455 A 542 GLN HA A 542 GLN HG2 1.0 1.8 3.85 519 455 A 542 GLN HA A 542 GLN HG3 1.0 1.8 3.85 520 456 A 502 GLN HA A 502 GLN HG2 1.0 1.8 3.63 521 456 A 502 GLN HA A 502 GLN HG3 1.0 1.8 3.63 522 457 A 522 ASN H A 521 VAL HGy% 1.0 1.8 3.63 523 458 A 521 VAL HGy% A 522 ASN HBx 1.0 1.8 5.94 524 459 A 506 ASN H A 506 ASN HBy 1.0 1.8 3.63 525 460 A 528 CYS HA A 506 ASN HBx 1.0 1.8 5.06 526 461 A 506 ASN HBx A 505 VAL HGx% 1.0 1.8 6.50 527 462 A 506 ASN HBx A 505 VAL HGy% 1.0 1.8 6.50 528 463 A 506 ASN H A 505 VAL HGy% 1.0 1.8 4.47 529 464 A 516 THR H A 516 THR HG2% 1.0 1.8 3.94 530 465 A 511 ALA HB% A 512 MET HA 1.0 1.8 4.15 531 466 A 504 CYS HBy A 511 ALA HB% 1.0 1.8 3.60 532 467 A 511 ALA HB% A 502 GLN HG2 1.0 1.8 3.56 533 467 A 502 GLN HG3 A 511 ALA HB% 1.0 1.8 3.56 534 468 A 521 VAL HGx% A 520 LYS HB2 1.0 1.8 3.85 535 468 A 520 LYS HB3 A 521 VAL HGx% 1.0 1.8 3.85 536 469 A 518 CYS HBy A 520 LYS HD2 1.0 1.8 4.28 537 469 A 518 CYS HBy A 520 LYS HD3 1.0 1.8 4.28 538 470 A 518 CYS HBx A 520 LYS HD2 1.0 1.8 4.44 539 470 A 518 CYS HBx A 520 LYS HD3 1.0 1.8 4.44 540 471 A 501 GLU HA A 501 GLU HG2 1.0 1.8 3.60 541 471 A 501 GLU HA A 501 GLU HG3 1.0 1.8 3.60 542 472 A 505 VAL HB A 521 VAL HB 1.0 1.8 5.22 543 473 A 520 LYS HB3 A 520 LYS HE2 1.0 1.8 4.14 544 473 A 520 LYS HB2 A 520 LYS HE2 1.0 1.8 4.14 545 473 A 520 LYS HE3 A 520 LYS HB2 1.0 1.8 4.14 546 473 A 520 LYS HB3 A 520 LYS HE3 1.0 1.8 4.14 547 474 A 521 VAL HGy% A 520 LYS HB2 1.0 1.8 4.73 548 474 A 520 LYS HB3 A 521 VAL HGy% 1.0 1.8 4.73 549 475 A 520 LYS HB2 A 520 LYS HD2 1.0 1.8 2.99 550 475 A 520 LYS HB3 A 520 LYS HD2 1.0 1.8 2.99 551 475 A 520 LYS HD3 A 520 LYS HB2 1.0 1.8 2.99 552 475 A 520 LYS HB3 A 520 LYS HD3 1.0 1.8 2.99 553 476 A 522 ASN H A 522 ASN HBx 1.0 1.8 4.07 554 477 A 536 HIS HA A 535 ASP HBy 1.0 1.8 4.93 555 478 A 536 HIS HA A 535 ASP HBx 1.0 1.8 4.91 556 479 A 530 ARG HA A 533 TRP HA 1.0 1.8 4.80 557 480 A 519 HIS HBx A 514 GLU HB2 1.0 1.8 5.35 558 480 A 519 HIS HBx A 514 GLU HB3 1.0 1.8 5.35 559 481 A 530 ARG HA A 530 ARG HD2 1.0 1.8 4.10 560 481 A 530 ARG HA A 530 ARG HD3 1.0 1.8 4.10 561 482 A 534 LYS HE2 A 534 LYS HG2 1.0 1.8 4.00 562 482 A 534 LYS HG3 A 534 LYS HE2 1.0 1.8 4.00 563 482 A 534 LYS HG3 A 534 LYS HE3 1.0 1.8 4.00 564 482 A 534 LYS HE3 A 534 LYS HG2 1.0 1.8 4.00 565 483 A 520 LYS HA A 520 LYS HGx 1.0 1.8 3.93 566 484 A 520 LYS HE3 A 520 LYS HGy 1.0 1.8 4.22 567 484 A 520 LYS HGy A 520 LYS HE2 1.0 1.8 4.22 568 485 A 503 SER HA A 511 ALA HB% 1.0 1.8 3.77 569 486 A 525 SER H A 511 ALA HB% 1.0 1.8 5.71 570 487 A 523 TYR HD% A 506 ASN HBy 1.0 1.8 4.67 571 488 A 504 CYS H A 511 ALA HA 1.0 1.8 5.37 572 489 A 521 VAL HA A 522 ASN HBy 1.0 1.8 5.67 573 490 A 504 CYS HA A 522 ASN HBx 1.0 1.8 6.20 574 491 A 522 ASN HA A 521 VAL HGy% 1.0 1.8 4.75 575 492 A 533 TRP H A 531 LYS HA 1.0 1.8 4.86 576 493 A 533 TRP HBy A 532 ASP HBx 1.0 1.8 5.29 577 494 A 530 ARG HA A 533 TRP HBy 1.0 1.8 4.18 578 495 A 540 CYS HA A 539 ILE HG1x 1.0 1.8 4.69 579 496 A 540 CYS HA A 539 ILE HG2% 1.0 1.8 5.34 580 497 A 511 ALA HB% A 502 GLN HBx 1.0 1.8 4.16 581 498 A 521 VAL H A 520 LYS HD2 1.0 1.8 5.13 582 498 A 521 VAL H A 520 LYS HD3 1.0 1.8 5.13 583 499 A 513 SER HA A 513 SER HB2 1.0 1.8 2.85 584 499 A 513 SER HB3 A 513 SER HA 1.0 1.8 2.85 585 500 A 521 VAL HA A 522 ASN HBx 1.0 1.8 5.36 586 501 A 535 ASP H A 536 HIS HBx 1.0 1.8 4.69 587 502 A 524 CYS H A 511 ALA HA 1.0 1.8 5.22 588 503 A 514 GLU HA A 522 ASN HBy 1.0 1.8 5.09 589 504 A 518 CYS HBy A 520 LYS HB2 1.0 1.8 4.23 590 504 A 520 LYS HB3 A 518 CYS HBy 1.0 1.8 4.23 591 505 A 520 LYS H A 520 LYS HD2 1.0 1.8 5.19 592 505 A 520 LYS H A 520 LYS HD3 1.0 1.8 5.19 593 506 A 522 ASN HA A 521 VAL HA 1.0 1.8 4.58 594 507 A 522 ASN HA A 514 GLU HB2 1.0 1.8 4.07 595 507 A 522 ASN HA A 514 GLU HB3 1.0 1.8 4.07 596 508 A 533 TRP HBx A 532 ASP HBx 1.0 1.8 6.07 597 509 A 540 CYS HBx A 541 GLY HAx 1.0 1.8 5.22 598 510 A 540 CYS HBx A 541 GLY HAy 1.0 1.8 5.22 599 511 A 539 ILE HD1% A 539 ILE HA 1.0 1.8 3.44 600 512 A 539 ILE HB A 539 ILE HD1% 1.0 1.8 2.95 601 513 A 540 CYS HA A 539 ILE HG1y 1.0 1.8 4.69 602 514 A 540 CYS HA A 539 ILE HD1% 1.0 1.8 4.69 603 515 A 539 ILE HG2% A 538 HIS HA 1.0 1.8 4.53 604 516 A 536 HIS HA A 539 ILE HB 1.0 1.8 4.38 605 517 A 537 GLN HGy A 535 ASP HA 1.0 1.8 4.05 606 518 A 526 THR HG2% A 527 PHE HB2 1.0 1.8 5.66 607 518 A 527 PHE HB3 A 526 THR HG2% 1.0 1.8 5.66 608 519 A 520 LYS H A 519 HIS HBy 1.0 1.8 5.70 609 520 A 520 LYS H A 519 HIS HBx 1.0 1.8 5.71 610 521 A 515 CYS HBy A 516 THR HA 1.0 1.8 5.93 611 522 A 511 ALA HB% A 513 SER HB2 1.0 1.8 5.55 612 522 A 513 SER HB3 A 511 ALA HB% 1.0 1.8 5.55 613 523 A 506 ASN H A 504 CYS HBy 1.0 1.8 5.57 614 524 A 511 ALA HB% A 503 SER HBy 1.0 1.8 5.66 615 525 A 511 ALA HB% A 503 SER HBx 1.0 1.8 5.66 616 526 A 506 ASN HD21 A 506 ASN HA 1.0 1.8 4.33 617 527 A 542 GLN H A 539 ILE HD1% 1.0 1.8 5.12 618 528 A 539 ILE HD1% A 536 HIS HE1 1.0 1.8 3.07 619 529 A 536 HIS HE1 A 520 LYS HD2 1.0 1.8 4.21 620 529 A 520 LYS HD3 A 536 HIS HE1 1.0 1.8 4.21 621 530 A 518 CYS HBx A 536 HIS HE1 1.0 1.8 5.32 622 531 A 539 ILE H A 538 HIS HE1 1.0 1.8 4.98 623 532 A 540 CYS H A 536 HIS HE1 1.0 1.8 5.02 624 533 A 520 LYS H A 536 HIS HE1 1.0 1.8 5.38 625 534 A 539 ILE HG2% A 538 HIS HE1 1.0 1.8 4.42 626 535 A 523 TYR HD% A 529 GLN HA 1.0 1.8 3.96 627 536 A 524 CYS H A 523 TYR HD% 1.0 1.8 4.73 628 537 A 528 CYS H A 527 PHE HD% 1.0 1.8 4.02 629 538 A 527 PHE HD% A 527 PHE HA 1.0 1.8 3.92 630 539 A 528 CYS H A 527 PHE HE% 1.0 1.8 5.06 631 540 A 533 TRP HD1 A 533 TRP HA 1.0 1.8 4.54 632 541 A 533 TRP HD1 A 533 TRP HBx 1.0 1.8 3.58 633 542 A 533 TRP HD1 A 537 GLN HBy 1.0 1.8 4.91 634 543 A 515 CYS HBy A 533 TRP HE3 1.0 1.8 5.78 635 544 A 519 HIS HD2 A 519 HIS HBy 1.0 1.8 3.41 636 545 A 535 ASP HA A 538 HIS HD2 1.0 1.8 3.22 637 546 A 519 HIS HD2 A 519 HIS HA 1.0 1.8 4.30 638 547 A 538 HIS HD2 A 538 HIS HBx 1.0 1.8 3.92 639 548 A 539 ILE HG2% A 538 HIS HD2 1.0 1.8 3.99 640 549 A 538 HIS H A 538 HIS HD2 1.0 1.8 4.38 641 550 A 523 TYR HE% A 523 TYR HBx 1.0 1.8 5.31 642 551 A 523 TYR HE% A 532 ASP HBy 1.0 1.8 4.02 643 552 A 523 TYR HE% A 532 ASP HBx 1.0 1.8 4.18 644 553 A 523 TYR HE% A 529 GLN HA 1.0 1.8 4.22 645 554 A 523 TYR HE% A 533 TRP HE3 1.0 1.8 5.47 646 555 A 523 TYR HE% A 515 CYS HBy 1.0 1.8 4.11 647 556 A 523 TYR HE% A 523 TYR HBy 1.0 1.8 4.72 648 557 A 533 TRP HZ2 A 537 GLN HBx 1.0 1.8 4.49 649 558 A 537 GLN HGy A 533 TRP HZ2 1.0 1.8 6.27 650 559 A 534 LYS HA A 538 HIS HD2 1.0 1.8 6.11 651 560 A 536 HIS H A 538 HIS HD2 1.0 1.8 4.76 652 561 A 523 TYR HD% A 506 ASN HD21 1.0 1.8 6.08 653 562 A 523 TYR HD% A 521 VAL HGy% 1.0 1.8 5.55 654 563 A 523 TYR HD% A 521 VAL HGy% 1.0 1.8 5.11 655 564 A 533 TRP HD1 A 533 TRP HBy 1.0 1.8 3.84 656 565 A 540 CYS HBy A 533 TRP HZ3 1.0 1.8 5.05 657 566 A 517 GLY H A 519 HIS HD2 1.0 1.8 5.07 658 567 A 528 CYS HA A 527 PHE HD% 1.0 1.8 4.03 659 568 A 534 LYS HBx A 538 HIS HD2 1.0 1.8 6.50 660 569 A 539 ILE HB A 538 HIS HD2 1.0 1.8 6.50 661 570 A 537 GLN HGx A 533 TRP HZ2 1.0 1.8 5.64 662 571 A 512 MET H A 524 CYS HA 1.0 1.8 3.62 663 572 A 533 TRP HA A 533 TRP HE3 1.0 1.8 3.44 664 573 A 527 PHE H A 525 SER HBx 1.0 1.8 4.47 665 574 A 541 GLY H A 518 CYS HBy 1.0 1.8 4.20 666 575 A 518 CYS H A 516 THR HA 1.0 1.8 4.36 667 576 A 504 CYS H A 504 CYS HBx 1.0 1.8 3.71 668 577 A 538 HIS HD2 A 538 HIS HBy 1.0 1.8 3.92 669 578 A 536 HIS HD2 A 515 CYS HBy 1.0 1.8 4.27 670 579 A 523 TYR HE% A 515 CYS HBx 1.0 1.8 3.70 671 580 A 536 HIS H A 535 ASP HBx 1.0 1.8 4.03 672 581 A 535 ASP H A 535 ASP HBx 1.0 1.8 3.79 673 582 A 524 CYS H A 504 CYS HBy 1.0 1.8 4.16 674 583 A 513 SER H A 502 GLN HG2 1.0 1.8 5.15 675 583 A 513 SER H A 502 GLN HG3 1.0 1.8 5.15 676 584 A 512 MET H A 512 MET HBy 1.0 1.8 3.96 677 585 A 503 SER H A 502 GLN HBy 1.0 1.8 4.03 678 586 A 540 CYS HBx A 533 TRP HZ3 1.0 1.8 4.23 679 587 A 535 ASP H A 534 LYS HBx 1.0 1.8 4.05 680 588 A 531 LYS H A 531 LYS HBy 1.0 1.8 3.70 681 589 A 538 HIS H A 537 GLN HGy 1.0 1.8 4.02 682 590 A 521 VAL HGx% A 536 HIS HE1 1.0 1.8 3.32 683 591 A 538 HIS H A 537 GLN HGx 1.0 1.8 4.24 684 592 A 521 VAL HGy% A 536 HIS HE1 1.0 1.8 3.34 685 593 A 523 TYR HE% A 521 VAL HGy% 1.0 1.8 3.86 686 594 A 539 ILE H A 539 ILE HD1% 1.0 1.8 4.08 687 595 A 537 GLN HA A 533 TRP HZ3 1.0 1.8 4.40 688 596 A 539 ILE H A 537 GLN HA 1.0 1.8 4.84 689 597 A 511 ALA HB% A 524 CYS HA 1.0 1.8 4.19 690 598 A 521 VAL HA A 521 VAL HGx% 1.0 1.8 3.30 691 599 A 515 CYS HBy A 521 VAL HGy% 1.0 1.8 4.15 692 600 A 515 CYS HBx A 521 VAL HGy% 1.0 1.8 3.59 693 601 A 536 HIS HA A 539 ILE HD1% 1.0 1.8 4.20 694 602 A 534 LYS HA A 537 GLN HGy 1.0 1.8 3.80 695 603 A 526 THR HG2% A 530 ARG HD2 1.0 1.8 4.03 696 603 A 530 ARG HD3 A 526 THR HG2% 1.0 1.8 4.03 697 604 A 509 ARG HA A 509 ARG HG2 1.0 1.8 4.09 698 604 A 509 ARG HA A 509 ARG HG3 1.0 1.8 4.09 699 605 A 530 ARG HA A 530 ARG HGx 1.0 1.8 3.94 700 606 A 516 THR HG2% A 516 THR HA 1.0 1.8 3.20 701 607 A 526 THR HA A 526 THR HG2% 1.0 1.8 3.20 702 608 A 520 LYS HE2 A 520 LYS HGx 1.0 1.8 4.22 703 608 A 520 LYS HE3 A 520 LYS HGx 1.0 1.8 4.22 704 609 A 536 HIS HD2 A 533 TRP HE3 1.0 1.8 3.33 705 610 A 522 ASN HA A 514 GLU HA 1.0 1.8 3.79 706 611 A 522 ASN HD21 A 522 ASN HA 1.0 1.8 4.20 707 612 A 523 TYR HD% A 523 TYR HA 1.0 1.8 3.98 708 613 A 514 GLU H A 522 ASN HA 1.0 1.8 5.79 709 614 A 507 CYS HA A 506 ASN HD21 1.0 1.8 4.64 710 615 A 541 GLY H A 518 CYS HA 1.0 1.8 5.45 711 616 A 536 HIS H A 533 TRP HA 1.0 1.8 4.30 712 617 A 536 HIS HD2 A 533 TRP HA 1.0 1.8 4.28 713 618 A 517 GLY H A 516 THR HB 1.0 1.8 4.24 714 619 A 538 HIS HA A 538 HIS HD2 1.0 1.8 5.10 715 620 A 536 HIS HA A 536 HIS HE1 1.0 1.8 4.80 716 621 A 508 GLY H A 504 CYS HA 1.0 1.8 4.74 717 622 A 528 CYS HA A 527 PHE HE% 1.0 1.8 4.37 718 623 A 504 CYS H A 510 GLU HA 1.0 1.8 5.55 719 624 A 540 CYS HA A 536 HIS HE1 1.0 1.8 4.29 720 625 A 524 CYS H A 504 CYS HBx 1.0 1.8 4.72 721 626 A 511 ALA H A 524 CYS HBy 1.0 1.8 5.06 722 627 A 537 GLN HE21 A 533 TRP HBx 1.0 1.8 4.58 723 628 A 523 TYR HD% A 528 CYS HBy 1.0 1.8 4.91 724 629 A 531 LYS H A 532 ASP HBy 1.0 1.8 4.95 725 630 A 521 VAL H A 515 CYS HBx 1.0 1.8 5.15 726 631 A 523 TYR HD% A 515 CYS HBx 1.0 1.8 4.86 727 632 A 535 ASP HBy A 538 HIS HD2 1.0 1.8 4.89 728 633 A 523 TYR HA A 504 CYS HBy 1.0 1.8 4.92 729 634 A 523 TYR HE% A 532 ASP HBx 1.0 1.8 4.65 730 635 A 541 GLY H A 540 CYS HBy 1.0 1.8 4.50 731 636 A 540 CYS HBy A 533 TRP HH2 1.0 1.8 5.15 732 637 A 536 HIS HE1 A 520 LYS HB2 1.0 1.8 5.53 733 637 A 520 LYS HB3 A 536 HIS HE1 1.0 1.8 5.53 734 638 A 540 CYS HBx A 533 TRP HH2 1.0 1.8 4.91 735 639 A 523 TYR HD% A 529 GLN HBx 1.0 1.8 4.67 736 640 A 527 PHE HE% A 531 LYS HD2 1.0 1.8 5.60 737 640 A 531 LYS HD3 A 527 PHE HE% 1.0 1.8 5.60 738 641 A 540 CYS H A 539 ILE HB 1.0 1.8 4.91 739 642 A 519 HIS HE1 A 514 GLU HB2 1.0 1.8 5.74 740 642 A 514 GLU HB3 A 519 HIS HE1 1.0 1.8 5.74 741 643 A 523 TYR HE% A 529 GLN HA 1.0 1.8 4.46 742 644 A 534 LYS H A 534 LYS HD2 1.0 1.8 4.76 743 644 A 534 LYS H A 534 LYS HD3 1.0 1.8 4.76 744 645 A 522 ASN HD21 A 521 VAL HB 1.0 1.8 5.52 745 646 A 510 GLU H A 509 ARG HG2 1.0 1.8 4.82 746 646 A 510 GLU H A 509 ARG HG3 1.0 1.8 4.82 747 647 A 535 ASP H A 534 LYS HG2 1.0 1.8 4.44 748 647 A 535 ASP H A 534 LYS HG3 1.0 1.8 4.44 749 648 A 535 ASP H A 537 GLN HGy 1.0 1.8 5.05 750 649 A 537 GLN HGy A 538 HIS HD2 1.0 1.8 4.43 751 650 A 533 TRP HD1 A 534 LYS HG2 1.0 1.8 5.28 752 650 A 533 TRP HD1 A 534 LYS HG3 1.0 1.8 5.28 753 651 A 533 TRP HD1 A 537 GLN HGy 1.0 1.8 5.63 754 652 A 523 TYR HD% A 529 GLN HBy 1.0 1.8 4.83 755 653 A 539 ILE HG1y A 536 HIS HE1 1.0 1.8 4.56 756 654 A 537 GLN HE22 A 537 GLN HBy 1.0 1.8 5.01 757 655 A 533 TRP HZ2 A 537 GLN HBy 1.0 1.8 4.49 758 656 A 537 GLN HGx A 538 HIS HD2 1.0 1.8 5.33 759 657 A 536 HIS HD2 A 521 VAL HGy% 1.0 1.8 4.65 760 658 A 523 TYR HE% A 521 VAL HGy% 1.0 1.8 4.78 761 659 A 533 TRP HD1 A 537 GLN HBx 1.0 1.8 4.91 762 660 A 523 TYR HD% A 523 TYR HA 1.0 1.8 4.36 763 661 A 515 CYS H A 521 VAL H 1.0 1.8 5.40 764 662 A 536 HIS H A 540 CYS H 1.0 1.8 6.28 765 663 A 518 CYS H A 516 THR H 1.0 1.8 5.00 766 664 A 541 GLY H A 540 CYS H 1.0 1.8 4.56 767 665 A 524 CYS H A 504 CYS H 1.0 1.8 5.88 768 666 A 520 LYS H A 519 HIS HD2 1.0 1.8 5.76 769 667 A 521 VAL H A 536 HIS HE1 1.0 1.8 4.65 770 668 A 506 ASN HD22 A 528 CYS HA 1.0 1.8 4.76 771 669 A 519 HIS HBx A 519 HIS HE1 1.0 1.8 4.92 772 670 A 511 ALA H A 510 GLU HG2 1.0 1.8 4.69 773 670 A 511 ALA H A 510 GLU HG3 1.0 1.8 4.69 774 671 A 523 TYR HD% A 528 CYS HBx 1.0 1.8 4.40 775 672 A 529 GLN H A 528 CYS HBx 1.0 1.8 4.78 776 673 A 523 TYR HD% A 529 GLN HA 1.0 1.8 5.34 777 674 A 509 ARG HA A 510 GLU HA 1.0 1.8 4.89 778 675 A 528 CYS HA A 506 ASN HBy 1.0 1.8 4.89 779 676 A 533 TRP HA A 536 HIS HBx 1.0 1.8 4.53 780 677 A 533 TRP HA A 536 HIS HBy 1.0 1.8 4.53 781 678 A 528 CYS HBy A 529 GLN HA 1.0 1.8 5.11 782 679 A 540 CYS HBx A 539 ILE HG1x 1.0 1.8 4.69 783 680 A 537 GLN HA A 540 CYS HBx 1.0 1.8 4.13 784 681 A 523 TYR HBx A 511 ALA HB% 1.0 1.8 5.46 785 682 A 540 CYS H A 539 ILE HG2% 1.0 1.8 4.62 786 683 A 523 TYR HA A 511 ALA HB% 1.0 1.8 4.57 787 684 A 528 CYS HA A 506 ASN HD21 1.0 1.8 4.34 788 685 A 500 MET H A 500 MET HBy 1.0 1.8 3.67 789 685 A 500 MET H A 500 MET HBx 1.0 1.8 3.67 790 686 A 500 MET H A 500 MET HGy 1.0 1.8 4.90 791 686 A 500 MET H A 500 MET HGx 1.0 1.8 4.90 792 687 A 500 MET HA A 500 MET HBy 1.0 1.8 2.59 793 687 A 500 MET HA A 500 MET HBx 1.0 1.8 2.59 794 688 A 501 GLU H A 500 MET HBy 1.0 1.8 4.37 795 688 A 501 GLU H A 500 MET HBx 1.0 1.8 4.37 796 689 A 502 GLN HE21 A 501 GLU HB2 1.0 1.8 4.45 797 689 A 502 GLN HE22 A 501 GLU HB2 1.0 1.8 4.45 798 689 A 501 GLU HB3 A 502 GLN HE21 1.0 1.8 4.45 799 689 A 501 GLU HB3 A 502 GLN HE22 1.0 1.8 4.45 800 690 A 502 GLN H A 502 GLN HBy 1.0 1.8 3.34 801 690 A 502 GLN H A 502 GLN HBx 1.0 1.8 3.34 802 691 A 502 GLN H A 503 SER HBx 1.0 1.8 6.27 803 691 A 502 GLN H A 503 SER HBy 1.0 1.8 6.27 804 692 A 502 GLN HA A 502 GLN HE21 1.0 1.8 4.57 805 692 A 502 GLN HA A 502 GLN HE22 1.0 1.8 4.57 806 693 A 522 ASN HD21 A 502 GLN HBy 1.0 1.8 4.92 807 693 A 522 ASN HD21 A 502 GLN HBx 1.0 1.8 4.92 808 694 A 503 SER H A 503 SER HBx 1.0 1.8 3.22 809 694 A 503 SER H A 503 SER HBy 1.0 1.8 3.22 810 695 A 504 CYS H A 503 SER HBx 1.0 1.8 3.43 811 695 A 504 CYS H A 503 SER HBy 1.0 1.8 3.43 812 696 A 504 CYS HA A 505 VAL HGx% 1.0 1.8 4.11 813 696 A 504 CYS HA A 505 VAL HGy% 1.0 1.8 4.11 814 697 A 505 VAL H A 505 VAL HGx% 1.0 1.8 3.05 815 697 A 505 VAL H A 505 VAL HGy% 1.0 1.8 3.05 816 698 A 505 VAL HA A 505 VAL HGx% 1.0 1.8 3.05 817 698 A 505 VAL HA A 505 VAL HGy% 1.0 1.8 3.05 818 699 A 506 ASN H A 505 VAL HGx% 1.0 1.8 3.78 819 699 A 506 ASN H A 505 VAL HGy% 1.0 1.8 3.78 820 700 A 506 ASN HA A 505 VAL HGx% 1.0 1.8 4.08 821 700 A 506 ASN HA A 505 VAL HGy% 1.0 1.8 4.08 822 701 A 506 ASN HBy A 505 VAL HGx% 1.0 1.8 5.12 823 701 A 506 ASN HBy A 505 VAL HGy% 1.0 1.8 5.12 824 702 A 506 ASN HBx A 505 VAL HGx% 1.0 1.8 5.44 825 702 A 506 ASN HBx A 505 VAL HGy% 1.0 1.8 5.44 826 703 A 507 CYS H A 505 VAL HGx% 1.0 1.8 5.06 827 703 A 507 CYS H A 505 VAL HGy% 1.0 1.8 5.06 828 704 A 521 VAL HA A 505 VAL HGx% 1.0 1.8 5.12 829 704 A 521 VAL HA A 505 VAL HGy% 1.0 1.8 5.12 830 705 A 521 VAL HB A 505 VAL HGx% 1.0 1.8 3.20 831 705 A 521 VAL HB A 505 VAL HGy% 1.0 1.8 3.20 832 706 A 521 VAL HGy% A 505 VAL HGx% 1.0 1.8 3.75 833 706 A 521 VAL HGy% A 505 VAL HGy% 1.0 1.8 3.75 834 707 A 522 ASN H A 505 VAL HGx% 1.0 1.8 3.78 835 707 A 522 ASN H A 505 VAL HGy% 1.0 1.8 3.78 836 708 A 523 TYR HA A 505 VAL HGx% 1.0 1.8 4.95 837 708 A 523 TYR HA A 505 VAL HGy% 1.0 1.8 4.95 838 709 A 523 TYR HD% A 505 VAL HGx% 1.0 1.8 4.01 839 709 A 523 TYR HD% A 505 VAL HGy% 1.0 1.8 4.01 840 710 A 523 TYR HE% A 505 VAL HGx% 1.0 1.8 3.91 841 710 A 523 TYR HE% A 505 VAL HGy% 1.0 1.8 3.91 842 711 A 523 TYR HE% A 505 VAL HGx% 1.0 1.8 4.97 843 711 A 523 TYR HE% A 505 VAL HGy% 1.0 1.8 4.97 844 712 A 523 TYR HD% A 505 VAL HGx% 1.0 1.8 5.52 845 712 A 523 TYR HD% A 505 VAL HGy% 1.0 1.8 5.52 846 713 A 532 ASP HBy A 505 VAL HGx% 1.0 1.8 5.34 847 713 A 532 ASP HBy A 505 VAL HGy% 1.0 1.8 5.34 848 714 A 532 ASP HBx A 505 VAL HGx% 1.0 1.8 5.46 849 714 A 532 ASP HBx A 505 VAL HGy% 1.0 1.8 5.46 850 715 A 506 ASN HD21 A 507 CYS HBy 1.0 1.8 4.68 851 715 A 506 ASN HD21 A 507 CYS HBx 1.0 1.8 4.68 852 716 A 508 GLY HA2 A 509 ARG HBx 1.0 1.8 5.24 853 716 A 508 GLY HA3 A 509 ARG HBx 1.0 1.8 5.24 854 716 A 509 ARG HBy A 508 GLY HA2 1.0 1.8 5.24 855 716 A 508 GLY HA3 A 509 ARG HBy 1.0 1.8 5.24 856 717 A 509 ARG HBy A 509 ARG HD2 1.0 1.8 3.62 857 717 A 509 ARG HBx A 509 ARG HD2 1.0 1.8 3.62 858 717 A 509 ARG HD3 A 509 ARG HBx 1.0 1.8 3.62 859 717 A 509 ARG HD3 A 509 ARG HBy 1.0 1.8 3.62 860 718 A 510 GLU H A 509 ARG HBx 1.0 1.8 4.27 861 718 A 510 GLU H A 509 ARG HBy 1.0 1.8 4.27 862 719 A 510 GLU H A 510 GLU HBy 1.0 1.8 2.49 863 719 A 510 GLU H A 510 GLU HBx 1.0 1.8 2.49 864 720 A 511 ALA H A 510 GLU HBy 1.0 1.8 3.65 865 720 A 511 ALA H A 510 GLU HBx 1.0 1.8 3.65 866 721 A 511 ALA H A 524 CYS HBy 1.0 1.8 4.31 867 721 A 511 ALA H A 524 CYS HBx 1.0 1.8 4.31 868 722 A 511 ALA HA A 512 MET HBx 1.0 1.8 4.60 869 722 A 511 ALA HA A 512 MET HBy 1.0 1.8 4.60 870 723 A 511 ALA HA A 524 CYS HBy 1.0 1.8 3.66 871 723 A 511 ALA HA A 524 CYS HBx 1.0 1.8 3.66 872 724 A 511 ALA HB% A 524 CYS HBy 1.0 1.8 4.03 873 724 A 511 ALA HB% A 524 CYS HBx 1.0 1.8 4.03 874 725 A 512 MET H A 512 MET HBx 1.0 1.8 3.47 875 725 A 512 MET H A 512 MET HBy 1.0 1.8 3.47 876 726 A 512 MET H A 512 MET HGy 1.0 1.8 4.53 877 726 A 512 MET H A 512 MET HGx 1.0 1.8 4.53 878 727 A 512 MET H A 524 CYS HBy 1.0 1.8 4.68 879 727 A 512 MET H A 524 CYS HBx 1.0 1.8 4.68 880 728 A 512 MET HA A 512 MET HGy 1.0 1.8 3.60 881 728 A 512 MET HA A 512 MET HGx 1.0 1.8 3.60 882 729 A 513 SER H A 512 MET HBx 1.0 1.8 3.73 883 729 A 513 SER H A 512 MET HBy 1.0 1.8 3.73 884 730 A 513 SER H A 512 MET HGy 1.0 1.8 5.14 885 730 A 513 SER H A 512 MET HGx 1.0 1.8 5.14 886 731 A 513 SER H A 524 CYS HBy 1.0 1.8 5.73 887 731 A 513 SER H A 524 CYS HBx 1.0 1.8 5.73 888 732 A 514 GLU H A 514 GLU HGy 1.0 1.8 3.28 889 732 A 514 GLU H A 514 GLU HGx 1.0 1.8 3.28 890 733 A 514 GLU HA A 514 GLU HGy 1.0 1.8 3.68 891 733 A 514 GLU HA A 514 GLU HGx 1.0 1.8 3.68 892 734 A 515 CYS H A 514 GLU HGy 1.0 1.8 3.91 893 734 A 515 CYS H A 514 GLU HGx 1.0 1.8 3.91 894 735 A 516 THR H A 514 GLU HGy 1.0 1.8 5.50 895 735 A 516 THR H A 514 GLU HGx 1.0 1.8 5.50 896 736 A 515 CYS HA A 529 GLN HE22 1.0 1.8 3.95 897 736 A 515 CYS HA A 529 GLN HE21 1.0 1.8 3.95 898 737 A 516 THR H A 517 GLY HAy 1.0 1.8 5.75 899 737 A 516 THR H A 517 GLY HAx 1.0 1.8 5.75 900 738 A 516 THR H A 529 GLN HE22 1.0 1.8 4.50 901 738 A 516 THR H A 529 GLN HE21 1.0 1.8 4.50 902 739 A 516 THR HG2% A 517 GLY HAy 1.0 1.8 4.61 903 739 A 516 THR HG2% A 517 GLY HAx 1.0 1.8 4.61 904 740 A 518 CYS HA A 517 GLY HAy 1.0 1.8 4.74 905 740 A 518 CYS HA A 517 GLY HAx 1.0 1.8 4.74 906 741 A 518 CYS HBx A 517 GLY HAy 1.0 1.8 4.26 907 741 A 518 CYS HBx A 517 GLY HAx 1.0 1.8 4.26 908 742 A 518 CYS HBy A 520 LYS HGx 1.0 1.8 5.04 909 742 A 518 CYS HBy A 520 LYS HGy 1.0 1.8 5.04 910 743 A 520 LYS H A 520 LYS HGx 1.0 1.8 3.40 911 743 A 520 LYS H A 520 LYS HGy 1.0 1.8 3.40 912 744 A 520 LYS HA A 520 LYS HGx 1.0 1.8 3.41 913 744 A 520 LYS HA A 520 LYS HGy 1.0 1.8 3.41 914 745 A 520 LYS HE2 A 520 LYS HGx 1.0 1.8 3.65 915 745 A 520 LYS HE3 A 520 LYS HGx 1.0 1.8 3.65 916 745 A 520 LYS HGy A 520 LYS HE2 1.0 1.8 3.65 917 745 A 520 LYS HE3 A 520 LYS HGy 1.0 1.8 3.65 918 746 A 521 VAL H A 520 LYS HGx 1.0 1.8 3.62 919 746 A 521 VAL H A 520 LYS HGy 1.0 1.8 3.62 920 747 A 521 VAL HGx% A 520 LYS HGx 1.0 1.8 3.82 921 747 A 521 VAL HGx% A 520 LYS HGy 1.0 1.8 3.82 922 748 A 539 ILE HD1% A 520 LYS HGx 1.0 1.8 4.49 923 748 A 539 ILE HD1% A 520 LYS HGy 1.0 1.8 4.49 924 749 A 523 TYR HA A 524 CYS HBy 1.0 1.8 5.67 925 749 A 523 TYR HA A 524 CYS HBx 1.0 1.8 5.67 926 750 A 523 TYR HE% A 529 GLN HGx 1.0 1.8 5.38 927 750 A 523 TYR HE% A 529 GLN HGy 1.0 1.8 5.38 928 751 A 524 CYS H A 524 CYS HBy 1.0 1.8 3.27 929 751 A 524 CYS H A 524 CYS HBx 1.0 1.8 3.27 930 752 A 527 PHE HD% A 525 SER HBx 1.0 1.8 4.53 931 752 A 527 PHE HD% A 525 SER HBy 1.0 1.8 4.53 932 753 A 528 CYS H A 525 SER HBx 1.0 1.8 5.18 933 753 A 528 CYS H A 525 SER HBy 1.0 1.8 5.18 934 754 A 529 GLN H A 525 SER HBx 1.0 1.8 5.09 935 754 A 529 GLN H A 525 SER HBy 1.0 1.8 5.09 936 755 A 526 THR HA A 529 GLN HGx 1.0 1.8 4.32 937 755 A 526 THR HA A 529 GLN HGy 1.0 1.8 4.32 938 756 A 526 THR HG2% A 529 GLN HGx 1.0 1.8 3.89 939 756 A 526 THR HG2% A 529 GLN HGy 1.0 1.8 3.89 940 757 A 527 PHE HD% A 531 LYS HBy 1.0 1.8 4.03 941 757 A 527 PHE HD% A 531 LYS HBx 1.0 1.8 4.03 942 758 A 527 PHE HD% A 531 LYS HGx 1.0 1.8 4.73 943 758 A 527 PHE HD% A 531 LYS HGy 1.0 1.8 4.73 944 759 A 527 PHE HE% A 531 LYS HBy 1.0 1.8 3.98 945 759 A 527 PHE HE% A 531 LYS HBx 1.0 1.8 3.98 946 760 A 527 PHE HE% A 531 LYS HGx 1.0 1.8 3.61 947 760 A 527 PHE HE% A 531 LYS HGy 1.0 1.8 3.61 948 761 A 527 PHE HE% A 531 LYS HEx 1.0 1.8 5.32 949 761 A 527 PHE HE% A 531 LYS HEy 1.0 1.8 5.32 950 762 A 528 CYS HA A 531 LYS HBy 1.0 1.8 4.27 951 762 A 528 CYS HA A 531 LYS HBx 1.0 1.8 4.27 952 763 A 529 GLN HA A 529 GLN HE22 1.0 1.8 4.01 953 763 A 529 GLN HA A 529 GLN HE21 1.0 1.8 4.01 954 764 A 529 GLN HBy A 529 GLN HE22 1.0 1.8 4.58 955 764 A 529 GLN HBy A 529 GLN HE21 1.0 1.8 4.58 956 765 A 529 GLN HE22 A 529 GLN HGx 1.0 1.8 3.13 957 765 A 529 GLN HE21 A 529 GLN HGx 1.0 1.8 3.13 958 765 A 529 GLN HGy A 529 GLN HE22 1.0 1.8 3.13 959 765 A 529 GLN HE21 A 529 GLN HGy 1.0 1.8 3.13 960 766 A 530 ARG H A 529 GLN HGx 1.0 1.8 4.19 961 766 A 530 ARG H A 529 GLN HGy 1.0 1.8 4.19 962 767 A 530 ARG H A 529 GLN HE22 1.0 1.8 5.10 963 767 A 530 ARG H A 529 GLN HE21 1.0 1.8 5.10 964 768 A 530 ARG HA A 529 GLN HE22 1.0 1.8 4.05 965 768 A 530 ARG HA A 529 GLN HE21 1.0 1.8 4.05 966 769 A 532 ASP HBx A 529 GLN HE22 1.0 1.8 4.96 967 769 A 532 ASP HBx A 529 GLN HE21 1.0 1.8 4.96 968 770 A 533 TRP HA A 529 GLN HE22 1.0 1.8 4.19 969 770 A 533 TRP HA A 529 GLN HE21 1.0 1.8 4.19 970 771 A 533 TRP HBy A 529 GLN HE22 1.0 1.8 3.77 971 771 A 533 TRP HBy A 529 GLN HE21 1.0 1.8 3.77 972 772 A 533 TRP HE3 A 529 GLN HE22 1.0 1.8 4.44 973 772 A 533 TRP HE3 A 529 GLN HE21 1.0 1.8 4.44 974 773 A 530 ARG H A 530 ARG HGx 1.0 1.8 4.29 975 773 A 530 ARG H A 530 ARG HGy 1.0 1.8 4.29 976 774 A 530 ARG HA A 530 ARG HGx 1.0 1.8 3.27 977 774 A 530 ARG HA A 530 ARG HGy 1.0 1.8 3.27 978 775 A 531 LYS H A 531 LYS HBy 1.0 1.8 3.20 979 775 A 531 LYS H A 531 LYS HBx 1.0 1.8 3.20 980 776 A 531 LYS H A 531 LYS HGx 1.0 1.8 5.14 981 776 A 531 LYS H A 531 LYS HGy 1.0 1.8 5.14 982 777 A 531 LYS HBy A 531 LYS HEx 1.0 1.8 4.72 983 777 A 531 LYS HBx A 531 LYS HEx 1.0 1.8 4.72 984 777 A 531 LYS HEy A 531 LYS HBy 1.0 1.8 4.72 985 777 A 531 LYS HBx A 531 LYS HEy 1.0 1.8 4.72 986 778 A 532 ASP H A 531 LYS HBy 1.0 1.8 3.37 987 778 A 532 ASP H A 531 LYS HBx 1.0 1.8 3.37 988 779 A 532 ASP HA A 531 LYS HBy 1.0 1.8 4.88 989 779 A 531 LYS HBx A 532 ASP HA 1.0 1.8 4.88 990 780 A 533 TRP H A 531 LYS HBy 1.0 1.8 5.04 991 780 A 533 TRP H A 531 LYS HBx 1.0 1.8 5.04 992 781 A 531 LYS HEx A 531 LYS HGx 1.0 1.8 3.02 993 781 A 531 LYS HEy A 531 LYS HGx 1.0 1.8 3.02 994 781 A 531 LYS HGy A 531 LYS HEx 1.0 1.8 3.02 995 781 A 531 LYS HGy A 531 LYS HEy 1.0 1.8 3.02 996 782 A 533 TRP HD1 A 537 GLN HBx 1.0 1.8 4.30 997 782 A 533 TRP HD1 A 537 GLN HBy 1.0 1.8 4.30 998 783 A 533 TRP HE1 A 537 GLN HBx 1.0 1.8 4.23 999 783 A 533 TRP HE1 A 537 GLN HBy 1.0 1.8 4.23 1000 784 A 533 TRP HH2 A 537 GLN HBx 1.0 1.8 4.55 1001 784 A 533 TRP HH2 A 537 GLN HBy 1.0 1.8 4.55 1002 785 A 535 ASP H A 536 HIS HBy 1.0 1.8 4.06 1003 785 A 535 ASP H A 536 HIS HBx 1.0 1.8 4.06 1004 786 A 536 HIS HD2 A 536 HIS HBy 1.0 1.8 3.49 1005 786 A 536 HIS HD2 A 536 HIS HBx 1.0 1.8 3.49 1006 787 A 537 GLN H A 536 HIS HBy 1.0 1.8 3.43 1007 787 A 537 GLN H A 536 HIS HBx 1.0 1.8 3.43 1008 788 A 537 GLN H A 537 GLN HBx 1.0 1.8 3.26 1009 788 A 537 GLN H A 537 GLN HBy 1.0 1.8 3.26 1010 789 A 537 GLN HE21 A 537 GLN HBx 1.0 1.8 4.08 1011 789 A 537 GLN HE21 A 537 GLN HBy 1.0 1.8 4.08 1012 790 A 537 GLN HE22 A 537 GLN HBx 1.0 1.8 4.30 1013 790 A 537 GLN HE22 A 537 GLN HBy 1.0 1.8 4.30 1014 791 A 538 HIS H A 538 HIS HBy 1.0 1.8 3.60 1015 791 A 538 HIS H A 538 HIS HBx 1.0 1.8 3.60 1016 792 A 538 HIS HD2 A 538 HIS HBy 1.0 1.8 3.22 1017 792 A 538 HIS HD2 A 538 HIS HBx 1.0 1.8 3.22 1018 793 A 539 ILE H A 538 HIS HBy 1.0 1.8 3.70 1019 793 A 539 ILE H A 538 HIS HBx 1.0 1.8 3.70 1020 794 A 540 CYS HA A 541 GLY HAy 1.0 1.8 4.51 1021 794 A 540 CYS HA A 541 GLY HAx 1.0 1.8 4.51 1022 795 A 541 GLY H A 541 GLY HAy 1.0 1.8 2.58 1023 795 A 541 GLY H A 541 GLY HAx 1.0 1.8 2.58 1024 796 A 541 GLY H A 542 GLN HE22 1.0 1.8 6.27 1025 796 A 541 GLY H A 542 GLN HE21 1.0 1.8 6.27 1026 797 A 541 GLY HAx A 542 GLN HBx 1.0 1.8 5.38 1027 797 A 541 GLY HAy A 542 GLN HBx 1.0 1.8 5.38 1028 797 A 542 GLN HBy A 541 GLY HAy 1.0 1.8 5.38 1029 797 A 541 GLY HAx A 542 GLN HBy 1.0 1.8 5.38 1030 798 A 541 GLY HAx A 542 GLN HG2 1.0 1.8 4.70 1031 798 A 542 GLN HG3 A 541 GLY HAy 1.0 1.8 4.70 1032 798 A 542 GLN HG3 A 541 GLY HAx 1.0 1.8 4.70 1033 798 A 541 GLY HAy A 542 GLN HG2 1.0 1.8 4.70 1034 799 A 542 GLN H A 542 GLN HBx 1.0 1.8 3.32 1035 799 A 542 GLN H A 542 GLN HBy 1.0 1.8 3.32 1036 800 A 542 GLN H A 542 GLN HE22 1.0 1.8 5.43 1037 800 A 542 GLN H A 542 GLN HE21 1.0 1.8 5.43 1038 801 A 542 GLN HA A 542 GLN HE22 1.0 1.8 4.61 1039 801 A 542 GLN HA A 542 GLN HE21 1.0 1.8 4.61 1040 802 A 543 SER H A 542 GLN HE22 1.0 1.8 6.27 1041 802 A 542 GLN HE21 A 543 SER H 1.0 1.8 6.27 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 500 MET C A 501 GLU N A 501 GLU CA A 501 GLU C 1.0 -108.95 -56.43 PHI 2 2 A 501 GLU N A 501 GLU CA A 501 GLU C A 502 GLN N 1.0 -43.74 -4.58 PSI 3 3 A 501 GLU C A 502 GLN N A 502 GLN CA A 502 GLN C 1.0 -173.96 -55.56 PHI 4 4 A 502 GLN N A 502 GLN CA A 502 GLN C A 503 SER N 1.0 103.86 185.64 PSI 5 5 A 502 GLN C A 503 SER N A 503 SER CA A 503 SER C 1.0 -128.48 -85.64 PHI 6 6 A 503 SER N A 503 SER CA A 503 SER C A 504 CYS N 1.0 121.13 156.05 PSI 7 7 A 503 SER C A 504 CYS N A 504 CYS CA A 504 CYS C 1.0 -114.01 -61.69 PHI 8 8 A 504 CYS N A 504 CYS CA A 504 CYS C A 505 VAL N 1.0 118.27 134.49 PSI 9 9 A 505 VAL C A 506 ASN N A 506 ASN CA A 506 ASN C 1.0 -119.24 -77.60 PHI 10 10 A 506 ASN N A 506 ASN CA A 506 ASN C A 507 CYS N 1.0 -41.37 -20.21 PSI 11 11 A 506 ASN C A 507 CYS N A 507 CYS CA A 507 CYS C 1.0 -162.99 -123.01 PHI 12 12 A 508 GLY C A 509 ARG N A 509 ARG CA A 509 ARG C 1.0 -83.88 -54.98 PHI 13 13 A 509 ARG N A 509 ARG CA A 509 ARG C A 510 GLU N 1.0 -54.71 -10.65 PSI 14 14 A 509 ARG C A 510 GLU N A 510 GLU CA A 510 GLU C 1.0 -102.07 -49.39 PHI 15 15 A 510 GLU N A 510 GLU CA A 510 GLU C A 511 ALA N 1.0 -52.88 -4.96 PSI 16 16 A 512 MET C A 513 SER N A 513 SER CA A 513 SER C 1.0 -121.32 -80.08 PHI 17 17 A 513 SER N A 513 SER CA A 513 SER C A 514 GLU N 1.0 122.02 154.14 PSI 18 18 A 513 SER C A 514 GLU N A 514 GLU CA A 514 GLU C 1.0 -143.74 -101.86 PHI 19 19 A 514 GLU N A 514 GLU CA A 514 GLU C A 515 CYS N 1.0 131.09 163.39 PSI 20 20 A 514 GLU C A 515 CYS N A 515 CYS CA A 515 CYS C 1.0 -120.78 -71.12 PHI 21 21 A 515 CYS N A 515 CYS CA A 515 CYS C A 516 THR N 1.0 119.20 139.60 PSI 22 22 A 515 CYS C A 516 THR N A 516 THR CA A 516 THR C 1.0 -76.77 -45.43 PHI 23 23 A 516 THR N A 516 THR CA A 516 THR C A 517 GLY N 1.0 120.55 143.87 PSI 24 24 A 517 GLY C A 518 CYS N A 518 CYS CA A 518 CYS C 1.0 -144.46 -99.08 PHI 25 25 A 518 CYS N A 518 CYS CA A 518 CYS C A 519 HIS N 1.0 146.91 175.97 PSI 26 26 A 519 HIS C A 520 LYS N A 520 LYS CA A 520 LYS C 1.0 -112.27 -87.79 PHI 27 27 A 520 LYS N A 520 LYS CA A 520 LYS C A 521 VAL N 1.0 -39.99 9.19 PSI 28 28 A 520 LYS C A 521 VAL N A 521 VAL CA A 521 VAL C 1.0 -158.17 -119.85 PHI 29 29 A 521 VAL N A 521 VAL CA A 521 VAL C A 522 ASN N 1.0 135.50 175.80 PSI 30 30 A 521 VAL C A 522 ASN N A 522 ASN CA A 522 ASN C 1.0 -155.45 -103.75 PHI 31 31 A 522 ASN N A 522 ASN CA A 522 ASN C A 523 TYR N 1.0 131.11 183.31 PSI 32 32 A 522 ASN C A 523 TYR N A 523 TYR CA A 523 TYR C 1.0 -149.71 -112.91 PHI 33 33 A 523 TYR C A 524 CYS N A 524 CYS CA A 524 CYS C 1.0 -159.68 -103.00 PHI 34 34 A 525 SER N A 525 SER CA A 525 SER C A 526 THR N 1.0 161.19 171.91 PSI 35 35 A 525 SER C A 526 THR N A 526 THR CA A 526 THR C 1.0 -71.01 -53.09 PHI 36 36 A 526 THR N A 526 THR CA A 526 THR C A 527 PHE N 1.0 -44.32 -24.22 PSI 37 37 A 526 THR C A 527 PHE N A 527 PHE CA A 527 PHE C 1.0 -69.83 -61.95 PHI 38 38 A 527 PHE N A 527 PHE CA A 527 PHE C A 528 CYS N 1.0 -47.98 -34.86 PSI 39 39 A 527 PHE C A 528 CYS N A 528 CYS CA A 528 CYS C 1.0 -64.29 -56.15 PHI 40 40 A 528 CYS N A 528 CYS CA A 528 CYS C A 529 GLN N 1.0 -49.68 -37.26 PSI 41 41 A 528 CYS C A 529 GLN N A 529 GLN CA A 529 GLN C 1.0 -64.59 -56.37 PHI 42 42 A 529 GLN N A 529 GLN CA A 529 GLN C A 530 ARG N 1.0 -48.06 -38.32 PSI 43 43 A 529 GLN C A 530 ARG N A 530 ARG CA A 530 ARG C 1.0 -69.24 -59.64 PHI 44 44 A 530 ARG N A 530 ARG CA A 530 ARG C A 531 LYS N 1.0 -42.58 -29.68 PSI 45 45 A 530 ARG C A 531 LYS N A 531 LYS CA A 531 LYS C 1.0 -73.29 -58.55 PHI 46 46 A 531 LYS N A 531 LYS CA A 531 LYS C A 532 ASP N 1.0 -41.32 -19.60 PSI 47 47 A 531 LYS C A 532 ASP N A 532 ASP CA A 532 ASP C 1.0 -111.03 -70.27 PHI 48 48 A 532 ASP N A 532 ASP CA A 532 ASP C A 533 TRP N 1.0 -41.34 -1.90 PSI 49 49 A 532 ASP C A 533 TRP N A 533 TRP CA A 533 TRP C 1.0 -67.30 -55.98 PHI 50 50 A 533 TRP N A 533 TRP CA A 533 TRP C A 534 LYS N 1.0 -52.44 -27.20 PSI 51 51 A 533 TRP C A 534 LYS N A 534 LYS CA A 534 LYS C 1.0 -69.01 -54.45 PHI 52 52 A 534 LYS N A 534 LYS CA A 534 LYS C A 535 ASP N 1.0 -43.79 -28.23 PSI 53 53 A 534 LYS C A 535 ASP N A 535 ASP CA A 535 ASP C 1.0 -91.54 -62.12 PHI 54 54 A 535 ASP N A 535 ASP CA A 535 ASP C A 536 HIS N 1.0 -56.29 -16.91 PSI 55 55 A 535 ASP C A 536 HIS N A 536 HIS CA A 536 HIS C 1.0 -67.84 -55.52 PHI 56 56 A 536 HIS N A 536 HIS CA A 536 HIS C A 537 GLN N 1.0 -46.49 -33.21 PSI 57 57 A 536 HIS C A 537 GLN N A 537 GLN CA A 537 GLN C 1.0 -77.49 -52.07 PHI 58 58 A 537 GLN N A 537 GLN CA A 537 GLN C A 538 HIS N 1.0 -48.55 -12.51 PSI 59 59 A 537 GLN C A 538 HIS N A 538 HIS CA A 538 HIS C 1.0 -83.34 -61.46 PHI 60 60 A 538 HIS N A 538 HIS CA A 538 HIS C A 539 ILE N 1.0 -43.46 -16.12 PSI 61 61 A 539 ILE C A 540 CYS N A 540 CYS CA A 540 CYS C 1.0 -97.09 -57.31 PHI 62 62 A 540 CYS N A 540 CYS CA A 540 CYS C A 541 GLY N 1.0 126.37 152.83 PSI stop_ save_ save_CNS/XPLOR_dipolar_coupling_4 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_4 _nef_rdc_restraint_list.potential_type parabolic _nef_rdc_restraint_list.restraint_origin . loop_ _nef_rdc_restraint.index _nef_rdc_restraint.restraint_id _nef_rdc_restraint.chain_code_1 _nef_rdc_restraint.sequence_code_1 _nef_rdc_restraint.residue_name_1 _nef_rdc_restraint.atom_name_1 _nef_rdc_restraint.chain_code_2 _nef_rdc_restraint.sequence_code_2 _nef_rdc_restraint.residue_name_2 _nef_rdc_restraint.atom_name_2 _nef_rdc_restraint.weight _nef_rdc_restraint.lower_limit _nef_rdc_restraint.upper_limit _nef_rdc_restraint.scale 1 1 A 504 CYS N A 504 CYS H 1.0 . . . 2 2 A 505 VAL N A 505 VAL H 1.0 . . . 3 3 A 506 ASN N A 506 ASN H 1.0 . . . 4 4 A 509 ARG N A 509 ARG H 1.0 . . . 5 5 A 510 GLU N A 510 GLU H 1.0 . . . 6 6 A 511 ALA N A 511 ALA H 1.0 . . . 7 7 A 513 SER N A 513 SER H 1.0 . . . 8 8 A 516 THR N A 516 THR H 1.0 . . . 9 9 A 517 GLY N A 517 GLY H 1.0 . . . 10 10 A 520 LYS N A 520 LYS H 1.0 . . . 11 11 A 521 VAL N A 521 VAL H 1.0 . . . 12 12 A 523 TYR N A 523 TYR H 1.0 . . . 13 13 A 524 CYS N A 524 CYS H 1.0 . . . 14 14 A 525 SER N A 525 SER H 1.0 . . . 15 15 A 528 CYS N A 528 CYS H 1.0 . . . 16 16 A 529 GLN N A 529 GLN H 1.0 . . . 17 17 A 530 ARG N A 530 ARG H 1.0 . . . 18 18 A 531 LYS N A 531 LYS H 1.0 . . . 19 19 A 532 ASP N A 532 ASP H 1.0 . . . 20 20 A 533 TRP N A 533 TRP H 1.0 . . . 21 21 A 534 LYS N A 534 LYS H 1.0 . . . 22 22 A 535 ASP N A 535 ASP H 1.0 . . . 23 23 A 536 HIS N A 536 HIS H 1.0 . . . 24 24 A 538 HIS N A 538 HIS H 1.0 . . . 25 25 A 539 ILE N A 539 ILE H 1.0 . . . 26 26 A 540 CYS N A 540 CYS H 1.0 . . . 27 27 A 541 GLY N A 541 GLY H 1.0 . . . 28 28 A 504 CYS C A 505 VAL N 1.0 . . . 29 29 A 515 CYS C A 516 THR N 1.0 . . . 30 30 A 520 LYS C A 521 VAL N 1.0 . . . 31 31 A 521 VAL C A 522 ASN N 1.0 . . . 32 32 A 522 ASN C A 523 TYR N 1.0 . . . 33 33 A 528 CYS C A 529 GLN N 1.0 . . . 34 34 A 532 ASP C A 533 TRP N 1.0 . . . 35 35 A 533 TRP C A 534 LYS N 1.0 . . . 36 36 A 535 ASP C A 536 HIS N 1.0 . . . 37 37 A 501 GLU C A 502 GLN H 1.0 . . . 38 38 A 515 CYS C A 516 THR H 1.0 . . . 39 39 A 521 VAL C A 522 ASN H 1.0 . . . 40 40 A 526 THR C A 527 PHE H 1.0 . . . 41 41 A 538 HIS C A 539 ILE H 1.0 . . . 42 42 A 539 ILE C A 540 CYS H 1.0 . . . 43 43 A 540 CYS C A 541 GLY H 1.0 . . . 44 44 A 541 GLY C A 542 GLN H 1.0 . . . 45 45 A 542 GLN C A 543 SER H 1.0 . . . 46 46 A 502 GLN CA A 502 GLN HA 1.0 . . . 47 47 A 504 CYS CA A 504 CYS HA 1.0 . . . 48 48 A 512 MET CA A 512 MET HA 1.0 . . . 49 49 A 513 SER CA A 513 SER HA 1.0 . . . 50 50 A 514 GLU CA A 514 GLU HA 1.0 . . . 51 51 A 515 CYS CA A 515 CYS HA 1.0 . . . 52 52 A 518 CYS CA A 518 CYS HA 1.0 . . . 53 53 A 522 ASN CA A 522 ASN HA 1.0 . . . 54 54 A 528 CYS CA A 528 CYS HA 1.0 . . . 55 55 A 529 GLN CA A 529 GLN HA 1.0 . . . 56 56 A 530 ARG CA A 530 ARG HA 1.0 . . . 57 57 A 532 ASP CA A 532 ASP HA 1.0 . . . 58 58 A 533 TRP CA A 533 TRP HA 1.0 . . . 59 59 A 534 LYS CA A 534 LYS HA 1.0 . . . 60 60 A 535 ASP CA A 535 ASP HA 1.0 . . . 61 61 A 537 GLN CA A 537 GLN HA 1.0 . . . 62 62 A 538 HIS CA A 538 HIS HA 1.0 . . . 63 63 A 540 CYS CA A 540 CYS HA 1.0 . . . stop_ save_