data_nef_c25742_5aaz 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 25736 PDB 5aaz 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 13 CYS SG 2 1 ZN ZN 1 30 CYS SG 2 1 ZN ZN 1 10 CYS SG 2 1 ZN ZN 1 26 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 489 GLY start . false 2 A 490 SER middle . . 3 A 491 ARG middle . . 4 A 492 ASN middle . . 5 A 493 ILE middle . . 6 A 494 PRO middle . false 7 A 495 ILE middle . . 8 A 496 HIS middle . . 9 A 497 SER middle . . 10 A 498 CYS middle -HG . 11 A 499 PRO middle . false 12 A 500 LYS middle . . 13 A 501 CYS middle -HG . 14 A 502 GLY middle . false 15 A 503 GLU middle . . 16 A 504 VAL middle . . 17 A 505 LEU middle . . 18 A 506 PRO middle . false 19 A 507 ASP middle . . 20 A 508 ILE middle . . 21 A 509 ASP middle . . 22 A 510 THR middle . . 23 A 511 LEU middle . . 24 A 512 GLN middle . . 25 A 513 ILE middle . . 26 A 514 HIS middle -HE2 . 27 A 515 VAL middle . . 28 A 516 MET middle . . 29 A 517 ASP middle . . 30 A 518 CYS middle -HG . 31 A 519 ILE middle . . 32 A 520 ILE end . . 33 B 1 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 491 ARG H H 1 8.150 0.01 A 491 ARG HA H 1 4.046 0.01 A 491 ARG HB2 H 1 1.794 0.01 A 491 ARG HB3 H 1 1.794 0.01 A 491 ARG HDy H 1 3.169 0.01 A 491 ARG HDx H 1 2.938 0.01 A 491 ARG HG2 H 1 1.624 0.01 A 491 ARG HG3 H 1 1.624 0.01 A 492 ASN H H 1 8.399 0.01 A 492 ASN HA H 1 4.606 0.01 A 492 ASN HBx H 1 2.624 0.01 A 492 ASN HBy H 1 2.686 0.01 A 492 ASN HD21 H 1 6.858 0.01 A 492 ASN HD22 H 1 7.537 0.01 A 492 ASN C C 13 172.640 0.10 A 492 ASN CA C 13 53.340 0.10 A 492 ASN CB C 13 38.790 0.10 A 493 ILE H H 1 8.023 0.01 A 493 ILE HA H 1 4.619 0.01 A 493 ILE HB H 1 1.591 0.01 A 493 ILE HG2% H 1 0.867 0.01 A 493 ILE C C 13 172.390 0.10 A 493 ILE CA C 13 58.680 0.10 A 493 ILE CB C 13 38.590 0.10 A 493 ILE N N 15 122.760 0.10 A 494 PRO HA H 1 4.274 0.01 A 494 PRO HBx H 1 1.572 0.01 A 494 PRO HBy H 1 2.122 0.01 A 494 PRO HDx H 1 3.635 0.01 A 494 PRO HDy H 1 3.811 0.01 A 494 PRO HGy H 1 1.977 0.01 A 494 PRO HGx H 1 1.922 0.01 A 494 PRO C C 13 173.990 0.10 A 494 PRO CA C 13 63.100 0.10 A 494 PRO CB C 13 32.280 0.10 A 495 ILE H H 1 7.938 0.01 A 495 ILE HA H 1 3.932 0.01 A 495 ILE HB H 1 1.626 0.01 A 495 ILE HD1% H 1 0.743 0.01 A 495 ILE HG1y H 1 1.299 0.01 A 495 ILE HG1x H 1 0.999 0.01 A 495 ILE HG2% H 1 0.701 0.01 A 495 ILE C C 13 173.940 0.10 A 495 ILE CA C 13 60.700 0.10 A 495 ILE CB C 13 39.250 0.10 A 495 ILE CD1 C 13 10.910 0.10 A 495 ILE CG2 C 13 15.720 0.10 A 495 ILE N N 15 120.240 0.10 A 496 HIS H H 1 8.462 0.01 A 496 HIS HA H 1 4.688 0.01 A 496 HIS HB2 H 1 2.674 0.01 A 496 HIS HB3 H 1 3.206 0.01 A 496 HIS HD2 H 1 6.648 0.01 A 496 HIS HE1 H 1 7.661 0.01 A 496 HIS C C 13 171.730 0.10 A 496 HIS CA C 13 55.030 0.10 A 496 HIS CB C 13 29.440 0.10 A 496 HIS N N 15 125.820 0.10 A 497 SER H H 1 8.014 0.01 A 497 SER HA H 1 5.257 0.01 A 497 SER HB2 H 1 3.420 0.01 A 497 SER HB3 H 1 3.420 0.01 A 497 SER C C 13 171.680 0.10 A 497 SER CA C 13 55.570 0.10 A 497 SER CB C 13 65.600 0.10 A 497 SER N N 15 115.860 0.10 A 498 CYS H H 1 8.950 0.01 A 498 CYS HA H 1 4.459 0.01 A 498 CYS HB2 H 1 3.114 0.01 A 498 CYS HB3 H 1 2.366 0.01 A 498 CYS C C 13 174.890 0.10 A 498 CYS CA C 13 56.860 0.10 A 498 CYS CB C 13 31.290 0.10 A 498 CYS N N 15 127.290 0.10 A 499 PRO HA H 1 4.431 0.01 A 499 PRO HBx H 1 2.030 0.01 A 499 PRO HBy H 1 2.367 0.01 A 499 PRO HDy H 1 4.218 0.01 A 499 PRO HDx H 1 4.083 0.01 A 499 PRO HG2 H 1 2.150 0.01 A 499 PRO HG3 H 1 2.150 0.01 A 499 PRO C C 13 174.810 0.10 A 499 PRO CA C 13 64.420 0.10 A 499 PRO CB C 13 32.280 0.10 A 500 LYS H H 1 9.291 0.01 A 500 LYS HA H 1 4.329 0.01 A 500 LYS HB2 H 1 1.897 0.01 A 500 LYS HB3 H 1 2.103 0.01 A 500 LYS HDy H 1 1.812 0.01 A 500 LYS HDx H 1 1.682 0.01 A 500 LYS HEx H 1 2.961 0.01 A 500 LYS HEy H 1 3.062 0.01 A 500 LYS HG2 H 1 1.372 0.01 A 500 LYS HG3 H 1 1.372 0.01 A 500 LYS C C 13 175.500 0.10 A 500 LYS CA C 13 58.640 0.10 A 500 LYS CB C 13 33.570 0.10 A 500 LYS N N 15 121.770 0.10 A 501 CYS H H 1 8.550 0.01 A 501 CYS HA H 1 4.956 0.01 A 501 CYS HB2 H 1 2.467 0.01 A 501 CYS HB3 H 1 3.294 0.01 A 501 CYS C C 13 175.210 0.10 A 501 CYS CA C 13 58.670 0.10 A 501 CYS CB C 13 32.740 0.10 A 501 CYS N N 15 117.130 0.10 A 502 GLY H H 1 7.961 0.01 A 502 GLY HAx H 1 3.729 0.01 A 502 GLY HAy H 1 4.147 0.01 A 502 GLY C C 13 171.850 0.10 A 502 GLY CA C 13 46.090 0.10 A 502 GLY N N 15 112.980 0.10 A 503 GLU H H 1 8.654 0.01 A 503 GLU HA H 1 3.915 0.01 A 503 GLU HBx H 1 1.136 0.01 A 503 GLU HBy H 1 2.039 0.01 A 503 GLU HGy H 1 2.149 0.01 A 503 GLU HGx H 1 1.990 0.01 A 503 GLU C C 13 172.940 0.10 A 503 GLU CA C 13 58.060 0.10 A 503 GLU CB C 13 30.200 0.10 A 503 GLU N N 15 125.070 0.10 A 504 VAL H H 1 8.348 0.01 A 504 VAL HA H 1 4.141 0.01 A 504 VAL HB H 1 1.849 0.01 A 504 VAL HGx% H 1 0.790 0.01 A 504 VAL HGy% H 1 0.865 0.01 A 504 VAL C C 13 174.010 0.10 A 504 VAL CA C 13 62.830 0.10 A 504 VAL CB C 13 32.230 0.10 A 504 VAL CG1 C 13 20.070 0.10 A 504 VAL CG2 C 13 19.750 0.10 A 504 VAL N N 15 124.460 0.10 A 505 LEU H H 1 8.694 0.01 A 505 LEU HA H 1 4.917 0.01 A 505 LEU HB2 H 1 1.754 0.01 A 505 LEU HB3 H 1 1.583 0.01 A 505 LEU HDx% H 1 0.836 0.01 A 505 LEU HDy% H 1 0.483 0.01 A 505 LEU HG H 1 1.624 0.01 A 505 LEU C C 13 174.230 0.10 A 505 LEU CA C 13 50.380 0.10 A 505 LEU CB C 13 41.100 0.10 A 505 LEU CD1 C 13 21.350 0.10 A 505 LEU CD2 C 13 22.330 0.10 A 505 LEU N N 15 132.310 0.10 A 506 PRO HA H 1 4.368 0.01 A 506 PRO HBy H 1 2.305 0.01 A 506 PRO HBx H 1 1.954 0.01 A 506 PRO HDy H 1 3.709 0.01 A 506 PRO HDx H 1 3.652 0.01 A 506 PRO HGy H 1 2.069 0.01 A 506 PRO HGx H 1 2.004 0.01 A 506 PRO C C 13 174.390 0.10 A 506 PRO CA C 13 64.720 0.10 A 506 PRO CB C 13 32.520 0.10 A 507 ASP H H 1 7.103 0.01 A 507 ASP HA H 1 4.247 0.01 A 507 ASP HB2 H 1 2.883 0.01 A 507 ASP HB3 H 1 2.883 0.01 A 507 ASP C C 13 172.670 0.10 A 507 ASP CA C 13 52.610 0.10 A 507 ASP CB C 13 42.310 0.10 A 507 ASP N N 15 111.370 0.10 A 508 ILE H H 1 8.088 0.01 A 508 ILE HA H 1 3.544 0.01 A 508 ILE HB H 1 1.582 0.01 A 508 ILE HD1% H 1 0.882 0.01 A 508 ILE HG1x H 1 1.170 0.01 A 508 ILE HG1y H 1 1.324 0.01 A 508 ILE HG2% H 1 0.828 0.01 A 508 ILE C C 13 174.750 0.10 A 508 ILE CA C 13 63.210 0.10 A 508 ILE CB C 13 38.450 0.10 A 508 ILE CD1 C 13 11.820 0.10 A 508 ILE CG2 C 13 15.560 0.10 A 508 ILE N N 15 117.790 0.10 A 509 ASP H H 1 7.916 0.01 A 509 ASP HA H 1 4.359 0.01 A 509 ASP HB2 H 1 2.576 0.01 A 509 ASP HB3 H 1 2.576 0.01 A 509 ASP C C 13 177.280 0.10 A 509 ASP CA C 13 57.680 0.10 A 509 ASP CB C 13 40.510 0.10 A 509 ASP N N 15 122.870 0.10 A 510 THR H H 1 8.741 0.01 A 510 THR HA H 1 3.913 0.01 A 510 THR HB H 1 3.915 0.01 A 510 THR HG2% H 1 1.357 0.01 A 510 THR C C 13 176.190 0.10 A 510 THR CA C 13 66.340 0.10 A 510 THR CB C 13 68.430 0.10 A 510 THR CG2 C 13 21.070 0.10 A 510 THR N N 15 115.170 0.10 A 511 LEU H H 1 7.951 0.01 A 511 LEU HA H 1 4.080 0.01 A 511 LEU HB2 H 1 2.153 0.01 A 511 LEU HB3 H 1 1.383 0.01 A 511 LEU HDx% H 1 0.804 0.01 A 511 LEU HDy% H 1 0.970 0.01 A 511 LEU HG H 1 1.625 0.01 A 511 LEU C C 13 175.300 0.10 A 511 LEU CA C 13 59.140 0.10 A 511 LEU CB C 13 41.310 0.10 A 511 LEU CD1 C 13 21.840 0.10 A 511 LEU CD2 C 13 24.610 0.10 A 511 LEU N N 15 123.840 0.10 A 512 GLN H H 1 8.138 0.01 A 512 GLN HA H 1 4.005 0.01 A 512 GLN HB2 H 1 2.133 0.01 A 512 GLN HB3 H 1 2.233 0.01 A 512 GLN HE21 H 1 6.865 0.01 A 512 GLN HE22 H 1 7.248 0.01 A 512 GLN HGy H 1 2.578 0.01 A 512 GLN HGx H 1 2.451 0.01 A 512 GLN C C 13 176.840 0.10 A 512 GLN CA C 13 59.390 0.10 A 512 GLN CB C 13 28.050 0.10 A 512 GLN N N 15 117.160 0.10 A 513 ILE H H 1 7.415 0.01 A 513 ILE HA H 1 3.756 0.01 A 513 ILE HB H 1 1.853 0.01 A 513 ILE HD1% H 1 0.815 0.01 A 513 ILE HG1y H 1 1.685 0.01 A 513 ILE HG1x H 1 1.208 0.01 A 513 ILE HG2% H 1 0.931 0.01 A 513 ILE C C 13 176.320 0.10 A 513 ILE CA C 13 64.460 0.10 A 513 ILE CB C 13 38.410 0.10 A 513 ILE CD1 C 13 10.740 0.10 A 513 ILE CG2 C 13 15.500 0.10 A 513 ILE N N 15 118.330 0.10 A 514 HIS H H 1 8.217 0.01 A 514 HIS HA H 1 4.175 0.01 A 514 HIS HB2 H 1 3.555 0.01 A 514 HIS HB3 H 1 3.190 0.01 A 514 HIS HD2 H 1 7.028 0.01 A 514 HIS HE1 H 1 7.850 0.01 A 514 HIS C C 13 176.730 0.10 A 514 HIS CA C 13 60.290 0.10 A 514 HIS CB C 13 28.130 0.10 A 514 HIS N N 15 119.050 0.10 A 515 VAL H H 1 9.060 0.01 A 515 VAL HA H 1 3.692 0.01 A 515 VAL HB H 1 2.252 0.01 A 515 VAL HGx% H 1 1.178 0.01 A 515 VAL HGy% H 1 1.379 0.01 A 515 VAL C C 13 175.980 0.10 A 515 VAL CA C 13 66.580 0.10 A 515 VAL CB C 13 32.140 0.10 A 515 VAL CG1 C 13 19.710 0.10 A 515 VAL CG2 C 13 20.820 0.10 A 515 VAL N N 15 116.700 0.10 A 516 MET H H 1 7.369 0.01 A 516 MET HA H 1 4.155 0.01 A 516 MET HBx H 1 2.113 0.01 A 516 MET HBy H 1 2.146 0.01 A 516 MET HE% H 1 2.074 0.01 A 516 MET HGy H 1 2.728 0.01 A 516 MET HGx H 1 2.650 0.01 A 516 MET C C 13 174.920 0.10 A 516 MET CA C 13 58.250 0.10 A 516 MET CB C 13 32.350 0.10 A 516 MET N N 15 117.220 0.10 A 517 ASP H H 1 6.864 0.01 A 517 ASP HA H 1 4.797 0.01 A 517 ASP HBx H 1 2.389 0.01 A 517 ASP HBy H 1 2.696 0.01 A 517 ASP C C 13 172.890 0.10 A 517 ASP CA C 13 53.970 0.10 A 517 ASP CB C 13 42.540 0.10 A 517 ASP N N 15 115.600 0.10 A 518 CYS H H 1 7.364 0.01 A 518 CYS HA H 1 3.944 0.01 A 518 CYS HB2 H 1 2.596 0.01 A 518 CYS HB3 H 1 2.186 0.01 A 518 CYS C C 13 173.670 0.10 A 518 CYS CA C 13 61.440 0.10 A 518 CYS CB C 13 29.000 0.10 A 518 CYS N N 15 123.980 0.10 A 519 ILE H H 1 8.116 0.01 A 519 ILE HA H 1 4.296 0.01 A 519 ILE HB H 1 1.957 0.01 A 519 ILE HD1% H 1 0.861 0.01 A 519 ILE HG1y H 1 1.405 0.01 A 519 ILE HG1x H 1 1.114 0.01 A 519 ILE HG2% H 1 0.859 0.01 A 519 ILE C C 13 173.290 0.10 A 519 ILE CA C 13 61.210 0.10 A 519 ILE CB C 13 38.970 0.10 A 519 ILE CD1 C 13 11.610 0.10 A 519 ILE N N 15 124.690 0.10 A 520 ILE H H 1 7.557 0.01 A 520 ILE HA H 1 4.000 0.01 A 520 ILE HB H 1 1.769 0.01 A 520 ILE HD1% H 1 0.829 0.01 A 520 ILE HG1x H 1 1.187 0.01 A 520 ILE HG1y H 1 1.372 0.01 A 520 ILE HG2% H 1 0.855 0.01 A 520 ILE C C 13 179.070 0.10 A 520 ILE CA C 13 62.710 0.10 A 520 ILE CB C 13 39.190 0.10 A 520 ILE CD1 C 13 11.040 0.10 A 520 ILE CG2 C 13 16.390 0.10 A 520 ILE N N 15 128.970 0.10 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 491 ARG H A 491 ARG HA 1.0 1.8 3.50 2 2 A 491 ARG H A 491 ARG HB2 1.0 1.8 3.50 3 2 A 491 ARG H A 491 ARG HB3 1.0 1.8 3.50 4 3 A 491 ARG H A 491 ARG HG2 1.0 1.8 4.75 5 3 A 491 ARG H A 491 ARG HG3 1.0 1.8 4.75 6 4 A 491 ARG HA A 491 ARG HB2 1.0 1.8 3.50 7 4 A 491 ARG HA A 491 ARG HB3 1.0 1.8 3.50 8 5 A 491 ARG HA A 491 ARG HG2 1.0 1.8 4.75 9 5 A 491 ARG HA A 491 ARG HG3 1.0 1.8 4.75 10 6 A 491 ARG HA A 491 ARG HDy 1.0 1.8 6.00 11 6 A 491 ARG HA A 491 ARG HDx 1.0 1.8 6.00 12 7 A 491 ARG HB3 A 491 ARG HG2 1.0 1.8 2.80 13 7 A 491 ARG HB2 A 491 ARG HG2 1.0 1.8 2.80 14 7 A 491 ARG HG3 A 491 ARG HB2 1.0 1.8 2.80 15 7 A 491 ARG HB3 A 491 ARG HG3 1.0 1.8 2.80 16 8 A 491 ARG HB2 A 491 ARG HDy 1.0 1.8 6.00 17 8 A 491 ARG HB3 A 491 ARG HDy 1.0 1.8 6.00 18 8 A 491 ARG HDx A 491 ARG HB2 1.0 1.8 6.00 19 8 A 491 ARG HB3 A 491 ARG HDx 1.0 1.8 6.00 20 9 A 491 ARG HDx A 491 ARG HG2 1.0 1.8 2.80 21 9 A 491 ARG HDy A 491 ARG HG2 1.0 1.8 2.80 22 9 A 491 ARG HG3 A 491 ARG HDy 1.0 1.8 2.80 23 9 A 491 ARG HG3 A 491 ARG HDx 1.0 1.8 2.80 24 10 A 492 ASN H A 492 ASN HA 1.0 1.8 3.50 25 11 A 492 ASN H A 492 ASN HBx 1.0 1.8 3.50 26 11 A 492 ASN H A 492 ASN HBy 1.0 1.8 3.50 27 12 A 492 ASN HA A 492 ASN HBx 1.0 1.8 3.50 28 12 A 492 ASN HA A 492 ASN HBy 1.0 1.8 3.50 29 13 A 492 ASN HD21 A 492 ASN HBx 1.0 1.8 4.75 30 13 A 492 ASN HBy A 492 ASN HD21 1.0 1.8 4.75 31 14 A 492 ASN HD22 A 492 ASN HBx 1.0 1.8 6.00 32 14 A 492 ASN HBy A 492 ASN HD22 1.0 1.8 6.00 33 15 A 493 ILE H A 493 ILE HA 1.0 1.8 3.50 34 16 A 493 ILE H A 493 ILE HB 1.0 1.8 4.75 35 17 A 493 ILE H A 493 ILE HG2% 1.0 1.8 6.00 36 18 A 493 ILE HA A 493 ILE HB 1.0 1.8 4.75 37 19 A 493 ILE HA A 493 ILE HG2% 1.0 1.8 4.75 38 20 A 493 ILE HB A 493 ILE HG2% 1.0 1.8 3.50 39 21 A 495 ILE H A 495 ILE HA 1.0 1.8 3.50 40 22 A 495 ILE H A 495 ILE HB 1.0 1.8 3.50 41 23 A 495 ILE H A 495 ILE HG2% 1.0 1.8 6.00 42 24 A 495 ILE H A 495 ILE HD1% 1.0 1.8 6.00 43 25 A 495 ILE H A 495 ILE HG1y 1.0 1.8 4.75 44 25 A 495 ILE H A 495 ILE HG1x 1.0 1.8 4.75 45 26 A 495 ILE HA A 495 ILE HB 1.0 1.8 3.50 46 27 A 495 ILE HA A 495 ILE HG2% 1.0 1.8 4.75 47 28 A 495 ILE HA A 495 ILE HD1% 1.0 1.8 6.00 48 29 A 495 ILE HA A 495 ILE HG1y 1.0 1.8 3.50 49 29 A 495 ILE HA A 495 ILE HG1x 1.0 1.8 3.50 50 30 A 495 ILE HB A 495 ILE HG2% 1.0 1.8 3.50 51 31 A 495 ILE HB A 495 ILE HD1% 1.0 1.8 4.75 52 32 A 495 ILE HB A 495 ILE HG1y 1.0 1.8 3.50 53 32 A 495 ILE HB A 495 ILE HG1x 1.0 1.8 3.50 54 33 A 495 ILE HG2% A 495 ILE HD1% 1.0 1.8 4.75 55 34 A 495 ILE HG2% A 495 ILE HG1y 1.0 1.8 4.75 56 34 A 495 ILE HG2% A 495 ILE HG1x 1.0 1.8 4.75 57 35 A 495 ILE HD1% A 495 ILE HG1y 1.0 1.8 3.50 58 35 A 495 ILE HD1% A 495 ILE HG1x 1.0 1.8 3.50 59 36 A 496 HIS H A 496 HIS HA 1.0 1.8 4.75 60 37 A 496 HIS H A 496 HIS HB3 1.0 1.8 4.75 61 38 A 496 HIS H A 496 HIS HB2 1.0 1.8 3.50 62 39 A 496 HIS H A 496 HIS HD2 1.0 1.8 4.75 63 40 A 496 HIS HA A 496 HIS HB3 1.0 1.8 3.50 64 41 A 496 HIS HA A 496 HIS HB2 1.0 1.8 4.75 65 42 A 496 HIS HA A 496 HIS HD2 1.0 1.8 6.00 66 43 A 496 HIS HB3 A 496 HIS HD2 1.0 1.8 4.75 67 44 A 496 HIS HB2 A 496 HIS HD2 1.0 1.8 4.75 68 45 A 497 SER H A 497 SER HA 1.0 1.8 4.75 69 46 A 497 SER H A 497 SER HB2 1.0 1.8 3.50 70 46 A 497 SER H A 497 SER HB3 1.0 1.8 3.50 71 47 A 497 SER HA A 497 SER HB2 1.0 1.8 3.50 72 47 A 497 SER HA A 497 SER HB3 1.0 1.8 3.50 73 48 A 498 CYS H A 498 CYS HA 1.0 1.8 4.75 74 49 A 498 CYS H A 498 CYS HB3 1.0 1.8 2.80 75 50 A 498 CYS H A 498 CYS HB2 1.0 1.8 3.50 76 51 A 498 CYS HA A 498 CYS HB3 1.0 1.8 4.75 77 52 A 498 CYS HA A 498 CYS HB2 1.0 1.8 3.50 78 53 A 500 LYS H A 500 LYS HA 1.0 1.8 3.50 79 54 A 500 LYS H A 500 LYS HB3 1.0 1.8 4.75 80 55 A 500 LYS H A 500 LYS HB2 1.0 1.8 3.50 81 56 A 500 LYS H A 500 LYS HG2 1.0 1.8 3.50 82 56 A 500 LYS H A 500 LYS HG3 1.0 1.8 3.50 83 57 A 500 LYS H A 500 LYS HDy 1.0 1.8 6.00 84 57 A 500 LYS H A 500 LYS HDx 1.0 1.8 6.00 85 58 A 500 LYS HA A 500 LYS HB3 1.0 1.8 3.50 86 59 A 500 LYS HA A 500 LYS HB2 1.0 1.8 4.75 87 60 A 500 LYS HA A 500 LYS HG2 1.0 1.8 3.50 88 60 A 500 LYS HA A 500 LYS HG3 1.0 1.8 3.50 89 61 A 500 LYS HA A 500 LYS HDy 1.0 1.8 3.50 90 61 A 500 LYS HA A 500 LYS HDx 1.0 1.8 3.50 91 62 A 500 LYS HB3 A 500 LYS HG2 1.0 1.8 3.50 92 62 A 500 LYS HB3 A 500 LYS HG3 1.0 1.8 3.50 93 63 A 500 LYS HB3 A 500 LYS HDy 1.0 1.8 3.50 94 63 A 500 LYS HB3 A 500 LYS HDx 1.0 1.8 3.50 95 64 A 500 LYS HB3 A 500 LYS HEx 1.0 1.8 6.00 96 64 A 500 LYS HB3 A 500 LYS HEy 1.0 1.8 6.00 97 65 A 500 LYS HB2 A 500 LYS HG2 1.0 1.8 3.50 98 65 A 500 LYS HB2 A 500 LYS HG3 1.0 1.8 3.50 99 66 A 500 LYS HB2 A 500 LYS HDy 1.0 1.8 3.50 100 66 A 500 LYS HB2 A 500 LYS HDx 1.0 1.8 3.50 101 67 A 500 LYS HB2 A 500 LYS HEx 1.0 1.8 6.00 102 67 A 500 LYS HB2 A 500 LYS HEy 1.0 1.8 6.00 103 68 A 500 LYS HDy A 500 LYS HG2 1.0 1.8 3.50 104 68 A 500 LYS HDx A 500 LYS HG2 1.0 1.8 3.50 105 68 A 500 LYS HG3 A 500 LYS HDy 1.0 1.8 3.50 106 68 A 500 LYS HG3 A 500 LYS HDx 1.0 1.8 3.50 107 69 A 500 LYS HEx A 500 LYS HG2 1.0 1.8 3.50 108 69 A 500 LYS HEy A 500 LYS HG2 1.0 1.8 3.50 109 69 A 500 LYS HG3 A 500 LYS HEx 1.0 1.8 3.50 110 69 A 500 LYS HG3 A 500 LYS HEy 1.0 1.8 3.50 111 70 A 500 LYS HDy A 500 LYS HEx 1.0 1.8 3.50 112 70 A 500 LYS HDx A 500 LYS HEx 1.0 1.8 3.50 113 70 A 500 LYS HEy A 500 LYS HDy 1.0 1.8 3.50 114 70 A 500 LYS HDx A 500 LYS HEy 1.0 1.8 3.50 115 71 A 501 CYS H A 501 CYS HA 1.0 1.8 4.75 116 72 A 501 CYS H A 501 CYS HB3 1.0 1.8 3.50 117 73 A 501 CYS H A 501 CYS HB2 1.0 1.8 4.75 118 74 A 501 CYS HA A 501 CYS HB3 1.0 1.8 3.50 119 75 A 501 CYS HA A 501 CYS HB2 1.0 1.8 3.50 120 76 A 502 GLY H A 502 GLY HAx 1.0 1.8 3.50 121 76 A 502 GLY H A 502 GLY HAy 1.0 1.8 3.50 122 77 A 503 GLU H A 503 GLU HA 1.0 1.8 3.50 123 78 A 503 GLU H A 503 GLU HBx 1.0 1.8 3.50 124 78 A 503 GLU H A 503 GLU HBy 1.0 1.8 3.50 125 79 A 503 GLU H A 503 GLU HGy 1.0 1.8 3.50 126 79 A 503 GLU H A 503 GLU HGx 1.0 1.8 3.50 127 80 A 503 GLU HA A 503 GLU HBx 1.0 1.8 3.50 128 80 A 503 GLU HA A 503 GLU HBy 1.0 1.8 3.50 129 81 A 503 GLU HA A 503 GLU HGy 1.0 1.8 3.50 130 81 A 503 GLU HA A 503 GLU HGx 1.0 1.8 3.50 131 82 A 503 GLU HBx A 503 GLU HGy 1.0 1.8 3.50 132 82 A 503 GLU HGx A 503 GLU HBx 1.0 1.8 3.50 133 82 A 503 GLU HBy A 503 GLU HGx 1.0 1.8 3.50 134 82 A 503 GLU HBy A 503 GLU HGy 1.0 1.8 3.50 135 83 A 504 VAL H A 504 VAL HA 1.0 1.8 3.50 136 84 A 504 VAL H A 504 VAL HB 1.0 1.8 2.80 137 85 A 504 VAL H A 504 VAL HGx% 1.0 1.8 6.00 138 86 A 504 VAL H A 504 VAL HGy% 1.0 1.8 3.50 139 87 A 504 VAL HA A 504 VAL HB 1.0 1.8 4.75 140 88 A 504 VAL HA A 504 VAL HGx% 1.0 1.8 4.75 141 89 A 504 VAL HA A 504 VAL HGy% 1.0 1.8 3.50 142 90 A 504 VAL HB A 504 VAL HGx% 1.0 1.8 3.50 143 91 A 504 VAL HB A 504 VAL HGy% 1.0 1.8 3.50 144 92 A 505 LEU H A 505 LEU HA 1.0 1.8 4.75 145 93 A 505 LEU H A 505 LEU HB3 1.0 1.8 4.75 146 94 A 505 LEU H A 505 LEU HB2 1.0 1.8 3.50 147 95 A 505 LEU H A 505 LEU HG 1.0 1.8 4.75 148 96 A 505 LEU H A 505 LEU HDx% 1.0 1.8 6.00 149 97 A 505 LEU H A 505 LEU HDy% 1.0 1.8 4.75 150 98 A 505 LEU HA A 505 LEU HB3 1.0 1.8 4.75 151 99 A 505 LEU HA A 505 LEU HB2 1.0 1.8 4.75 152 100 A 505 LEU HA A 505 LEU HG 1.0 1.8 4.75 153 101 A 505 LEU HA A 505 LEU HDx% 1.0 1.8 4.75 154 102 A 505 LEU HA A 505 LEU HDy% 1.0 1.8 6.00 155 103 A 505 LEU HB3 A 505 LEU HG 1.0 1.8 3.50 156 104 A 505 LEU HB3 A 505 LEU HDx% 1.0 1.8 3.50 157 105 A 505 LEU HB3 A 505 LEU HDy% 1.0 1.8 4.75 158 106 A 505 LEU HB2 A 505 LEU HG 1.0 1.8 3.50 159 107 A 505 LEU HB2 A 505 LEU HDx% 1.0 1.8 4.75 160 108 A 505 LEU HB2 A 505 LEU HDy% 1.0 1.8 4.75 161 109 A 505 LEU HG A 505 LEU HDx% 1.0 1.8 3.50 162 110 A 505 LEU HG A 505 LEU HDy% 1.0 1.8 3.50 163 111 A 507 ASP H A 507 ASP HA 1.0 1.8 3.50 164 112 A 507 ASP H A 507 ASP HB2 1.0 1.8 4.75 165 112 A 507 ASP H A 507 ASP HB3 1.0 1.8 4.75 166 113 A 507 ASP HA A 507 ASP HB2 1.0 1.8 3.50 167 113 A 507 ASP HA A 507 ASP HB3 1.0 1.8 3.50 168 114 A 508 ILE H A 508 ILE HA 1.0 1.8 3.50 169 115 A 508 ILE H A 508 ILE HB 1.0 1.8 2.80 170 116 A 508 ILE H A 508 ILE HG2% 1.0 1.8 4.75 171 117 A 508 ILE H A 508 ILE HD1% 1.0 1.8 4.75 172 118 A 508 ILE H A 508 ILE HG1x 1.0 1.8 4.75 173 118 A 508 ILE H A 508 ILE HG1y 1.0 1.8 4.75 174 119 A 508 ILE HA A 508 ILE HB 1.0 1.8 3.50 175 120 A 508 ILE HA A 508 ILE HG2% 1.0 1.8 4.75 176 121 A 508 ILE HA A 508 ILE HD1% 1.0 1.8 6.00 177 122 A 508 ILE HA A 508 ILE HG1x 1.0 1.8 4.75 178 122 A 508 ILE HA A 508 ILE HG1y 1.0 1.8 4.75 179 123 A 508 ILE HB A 508 ILE HG2% 1.0 1.8 2.80 180 124 A 508 ILE HB A 508 ILE HD1% 1.0 1.8 3.50 181 125 A 508 ILE HB A 508 ILE HG1x 1.0 1.8 3.50 182 125 A 508 ILE HB A 508 ILE HG1y 1.0 1.8 3.50 183 126 A 508 ILE HG2% A 508 ILE HD1% 1.0 1.8 3.50 184 127 A 508 ILE HG2% A 508 ILE HG1x 1.0 1.8 4.75 185 127 A 508 ILE HG2% A 508 ILE HG1y 1.0 1.8 4.75 186 128 A 508 ILE HD1% A 508 ILE HG1x 1.0 1.8 4.75 187 128 A 508 ILE HD1% A 508 ILE HG1y 1.0 1.8 4.75 188 129 A 509 ASP H A 509 ASP HA 1.0 1.8 3.50 189 130 A 509 ASP H A 509 ASP HB2 1.0 1.8 3.50 190 130 A 509 ASP H A 509 ASP HB3 1.0 1.8 3.50 191 131 A 509 ASP HA A 509 ASP HB2 1.0 1.8 3.50 192 131 A 509 ASP HA A 509 ASP HB3 1.0 1.8 3.50 193 132 A 510 THR H A 510 THR HA 1.0 1.8 3.50 194 133 A 510 THR H A 510 THR HB 1.0 1.8 3.50 195 134 A 510 THR H A 510 THR HG2% 1.0 1.8 4.75 196 135 A 510 THR HA A 510 THR HB 1.0 1.8 3.50 197 136 A 510 THR HA A 510 THR HG2% 1.0 1.8 3.50 198 137 A 510 THR HB A 510 THR HG2% 1.0 1.8 3.50 199 138 A 511 LEU H A 511 LEU HA 1.0 1.8 3.50 200 139 A 511 LEU H A 511 LEU HB3 1.0 1.8 3.50 201 140 A 511 LEU H A 511 LEU HB2 1.0 1.8 3.50 202 141 A 511 LEU H A 511 LEU HG 1.0 1.8 4.75 203 142 A 511 LEU H A 511 LEU HDx% 1.0 1.8 4.75 204 143 A 511 LEU H A 511 LEU HDy% 1.0 1.8 6.00 205 144 A 511 LEU HA A 511 LEU HB3 1.0 1.8 3.50 206 145 A 511 LEU HA A 511 LEU HB2 1.0 1.8 2.80 207 146 A 511 LEU HA A 511 LEU HG 1.0 1.8 3.50 208 147 A 511 LEU HA A 511 LEU HDx% 1.0 1.8 3.50 209 148 A 511 LEU HA A 511 LEU HDy% 1.0 1.8 6.00 210 149 A 511 LEU HB3 A 511 LEU HG 1.0 1.8 3.50 211 150 A 511 LEU HB3 A 511 LEU HDx% 1.0 1.8 6.00 212 151 A 511 LEU HB3 A 511 LEU HDy% 1.0 1.8 4.75 213 152 A 511 LEU HB2 A 511 LEU HG 1.0 1.8 3.50 214 153 A 511 LEU HB2 A 511 LEU HDx% 1.0 1.8 3.50 215 154 A 511 LEU HB2 A 511 LEU HDy% 1.0 1.8 3.50 216 155 A 511 LEU HG A 511 LEU HDx% 1.0 1.8 3.50 217 156 A 511 LEU HG A 511 LEU HDy% 1.0 1.8 3.50 218 157 A 512 GLN H A 512 GLN HA 1.0 1.8 3.50 219 158 A 512 GLN H A 512 GLN HB3 1.0 1.8 3.50 220 159 A 512 GLN H A 512 GLN HB2 1.0 1.8 3.50 221 160 A 512 GLN H A 512 GLN HGy 1.0 1.8 4.75 222 160 A 512 GLN H A 512 GLN HGx 1.0 1.8 4.75 223 161 A 512 GLN HA A 512 GLN HB3 1.0 1.8 3.50 224 162 A 512 GLN HA A 512 GLN HB2 1.0 1.8 3.50 225 163 A 512 GLN HA A 512 GLN HGy 1.0 1.8 3.50 226 163 A 512 GLN HA A 512 GLN HGx 1.0 1.8 3.50 227 164 A 512 GLN HB3 A 512 GLN HE21 1.0 1.8 4.75 228 165 A 512 GLN HB3 A 512 GLN HE22 1.0 1.8 6.00 229 166 A 512 GLN HB3 A 512 GLN HGy 1.0 1.8 4.75 230 166 A 512 GLN HB3 A 512 GLN HGx 1.0 1.8 4.75 231 167 A 512 GLN HB2 A 512 GLN HE21 1.0 1.8 6.00 232 168 A 512 GLN HB2 A 512 GLN HE22 1.0 1.8 6.00 233 169 A 512 GLN HB2 A 512 GLN HGy 1.0 1.8 3.50 234 169 A 512 GLN HB2 A 512 GLN HGx 1.0 1.8 3.50 235 170 A 512 GLN HE21 A 512 GLN HGy 1.0 1.8 6.00 236 170 A 512 GLN HGx A 512 GLN HE21 1.0 1.8 6.00 237 171 A 512 GLN HE22 A 512 GLN HGy 1.0 1.8 6.00 238 171 A 512 GLN HGx A 512 GLN HE22 1.0 1.8 6.00 239 172 A 513 ILE H A 513 ILE HA 1.0 1.8 3.50 240 173 A 513 ILE H A 513 ILE HB 1.0 1.8 2.80 241 174 A 513 ILE H A 513 ILE HG2% 1.0 1.8 6.00 242 175 A 513 ILE H A 513 ILE HD1% 1.0 1.8 6.00 243 176 A 513 ILE H A 513 ILE HG1y 1.0 1.8 3.50 244 176 A 513 ILE H A 513 ILE HG1x 1.0 1.8 3.50 245 177 A 513 ILE HA A 513 ILE HB 1.0 1.8 3.50 246 178 A 513 ILE HA A 513 ILE HG2% 1.0 1.8 4.75 247 179 A 513 ILE HA A 513 ILE HD1% 1.0 1.8 6.00 248 180 A 513 ILE HA A 513 ILE HG1y 1.0 1.8 3.50 249 180 A 513 ILE HA A 513 ILE HG1x 1.0 1.8 3.50 250 181 A 513 ILE HB A 513 ILE HG2% 1.0 1.8 3.50 251 182 A 513 ILE HB A 513 ILE HD1% 1.0 1.8 4.75 252 183 A 513 ILE HB A 513 ILE HG1y 1.0 1.8 3.50 253 183 A 513 ILE HB A 513 ILE HG1x 1.0 1.8 3.50 254 184 A 513 ILE HG2% A 513 ILE HD1% 1.0 1.8 4.75 255 185 A 513 ILE HG2% A 513 ILE HG1y 1.0 1.8 4.75 256 185 A 513 ILE HG2% A 513 ILE HG1x 1.0 1.8 4.75 257 186 A 513 ILE HD1% A 513 ILE HG1y 1.0 1.8 4.75 258 186 A 513 ILE HD1% A 513 ILE HG1x 1.0 1.8 4.75 259 187 A 514 HIS H A 514 HIS HA 1.0 1.8 3.50 260 188 A 514 HIS H A 514 HIS HB3 1.0 1.8 3.50 261 189 A 514 HIS H A 514 HIS HB2 1.0 1.8 3.50 262 190 A 514 HIS H A 514 HIS HD2 1.0 1.8 6.00 263 191 A 514 HIS HA A 514 HIS HB3 1.0 1.8 4.75 264 192 A 514 HIS HA A 514 HIS HB2 1.0 1.8 3.50 265 193 A 514 HIS HA A 514 HIS HD2 1.0 1.8 6.00 266 194 A 514 HIS HB3 A 514 HIS HD2 1.0 1.8 3.50 267 195 A 514 HIS HB2 A 514 HIS HD2 1.0 1.8 6.00 268 196 A 515 VAL H A 515 VAL HA 1.0 1.8 3.50 269 197 A 515 VAL H A 515 VAL HB 1.0 1.8 3.50 270 198 A 515 VAL H A 515 VAL HGx% 1.0 1.8 4.75 271 199 A 515 VAL H A 515 VAL HGy% 1.0 1.8 3.50 272 200 A 515 VAL HA A 515 VAL HB 1.0 1.8 3.50 273 201 A 515 VAL HA A 515 VAL HGx% 1.0 1.8 4.75 274 202 A 515 VAL HA A 515 VAL HGy% 1.0 1.8 3.50 275 203 A 515 VAL HB A 515 VAL HGx% 1.0 1.8 4.75 276 204 A 515 VAL HB A 515 VAL HGy% 1.0 1.8 4.75 277 205 A 516 MET H A 516 MET HA 1.0 1.8 3.50 278 206 A 516 MET H A 516 MET HBx 1.0 1.8 2.80 279 206 A 516 MET H A 516 MET HBy 1.0 1.8 2.80 280 207 A 516 MET H A 516 MET HGy 1.0 1.8 4.75 281 207 A 516 MET H A 516 MET HGx 1.0 1.8 4.75 282 208 A 516 MET HA A 516 MET HE% 1.0 1.8 6.00 283 209 A 516 MET HA A 516 MET HBx 1.0 1.8 3.50 284 209 A 516 MET HA A 516 MET HBy 1.0 1.8 3.50 285 210 A 516 MET HA A 516 MET HGy 1.0 1.8 4.75 286 210 A 516 MET HA A 516 MET HGx 1.0 1.8 4.75 287 211 A 516 MET HE% A 516 MET HBx 1.0 1.8 4.75 288 211 A 516 MET HBy A 516 MET HE% 1.0 1.8 4.75 289 212 A 516 MET HE% A 516 MET HGy 1.0 1.8 6.00 290 212 A 516 MET HGx A 516 MET HE% 1.0 1.8 6.00 291 213 A 516 MET HBy A 516 MET HGy 1.0 1.8 3.50 292 213 A 516 MET HBx A 516 MET HGy 1.0 1.8 3.50 293 213 A 516 MET HGx A 516 MET HBx 1.0 1.8 3.50 294 213 A 516 MET HBy A 516 MET HGx 1.0 1.8 3.50 295 214 A 517 ASP H A 517 ASP HA 1.0 1.8 4.75 296 215 A 517 ASP H A 517 ASP HBx 1.0 1.8 3.50 297 215 A 517 ASP H A 517 ASP HBy 1.0 1.8 3.50 298 216 A 517 ASP HA A 517 ASP HBx 1.0 1.8 4.75 299 216 A 517 ASP HA A 517 ASP HBy 1.0 1.8 4.75 300 217 A 518 CYS H A 518 CYS HA 1.0 1.8 3.50 301 218 A 518 CYS H A 518 CYS HB3 1.0 1.8 4.75 302 219 A 518 CYS H A 518 CYS HB2 1.0 1.8 2.80 303 220 A 518 CYS HA A 518 CYS HB3 1.0 1.8 4.75 304 221 A 518 CYS HA A 518 CYS HB2 1.0 1.8 2.80 305 222 A 519 ILE H A 519 ILE HA 1.0 1.8 3.50 306 223 A 519 ILE H A 519 ILE HB 1.0 1.8 3.50 307 224 A 519 ILE H A 519 ILE HG2% 1.0 1.8 4.75 308 225 A 519 ILE H A 519 ILE HD1% 1.0 1.8 4.75 309 226 A 519 ILE H A 519 ILE HG1y 1.0 1.8 4.75 310 226 A 519 ILE H A 519 ILE HG1x 1.0 1.8 4.75 311 227 A 519 ILE HA A 519 ILE HB 1.0 1.8 3.50 312 228 A 519 ILE HA A 519 ILE HG2% 1.0 1.8 4.75 313 229 A 519 ILE HA A 519 ILE HD1% 1.0 1.8 4.75 314 230 A 519 ILE HA A 519 ILE HG1y 1.0 1.8 4.75 315 230 A 519 ILE HA A 519 ILE HG1x 1.0 1.8 4.75 316 231 A 519 ILE HB A 519 ILE HG2% 1.0 1.8 3.50 317 232 A 519 ILE HB A 519 ILE HD1% 1.0 1.8 3.50 318 233 A 519 ILE HB A 519 ILE HG1y 1.0 1.8 4.75 319 233 A 519 ILE HB A 519 ILE HG1x 1.0 1.8 4.75 320 234 A 519 ILE HG2% A 519 ILE HD1% 1.0 1.8 3.50 321 235 A 519 ILE HG2% A 519 ILE HG1y 1.0 1.8 3.50 322 235 A 519 ILE HG2% A 519 ILE HG1x 1.0 1.8 3.50 323 236 A 519 ILE HD1% A 519 ILE HG1y 1.0 1.8 3.50 324 236 A 519 ILE HD1% A 519 ILE HG1x 1.0 1.8 3.50 325 237 A 520 ILE H A 520 ILE HA 1.0 1.8 3.50 326 238 A 520 ILE H A 520 ILE HB 1.0 1.8 3.50 327 239 A 520 ILE H A 520 ILE HG2% 1.0 1.8 6.00 328 240 A 520 ILE H A 520 ILE HD1% 1.0 1.8 4.75 329 241 A 520 ILE H A 520 ILE HG1x 1.0 1.8 3.50 330 241 A 520 ILE H A 520 ILE HG1y 1.0 1.8 3.50 331 242 A 520 ILE HA A 520 ILE HB 1.0 1.8 3.50 332 243 A 520 ILE HA A 520 ILE HG2% 1.0 1.8 4.75 333 244 A 520 ILE HA A 520 ILE HD1% 1.0 1.8 4.75 334 245 A 520 ILE HA A 520 ILE HG1x 1.0 1.8 3.50 335 245 A 520 ILE HA A 520 ILE HG1y 1.0 1.8 3.50 336 246 A 520 ILE HB A 520 ILE HG2% 1.0 1.8 3.50 337 247 A 520 ILE HB A 520 ILE HD1% 1.0 1.8 3.50 338 248 A 520 ILE HB A 520 ILE HG1x 1.0 1.8 3.50 339 248 A 520 ILE HB A 520 ILE HG1y 1.0 1.8 3.50 340 249 A 520 ILE HG2% A 520 ILE HD1% 1.0 1.8 4.75 341 250 A 520 ILE HG2% A 520 ILE HG1x 1.0 1.8 3.50 342 250 A 520 ILE HG2% A 520 ILE HG1y 1.0 1.8 3.50 343 251 A 520 ILE HD1% A 520 ILE HG1x 1.0 1.8 3.50 344 251 A 520 ILE HD1% A 520 ILE HG1y 1.0 1.8 3.50 345 252 A 491 ARG HA A 492 ASN H 1.0 1.8 2.80 346 253 A 492 ASN H A 491 ARG HB2 1.0 1.8 4.75 347 253 A 491 ARG HB3 A 492 ASN H 1.0 1.8 4.75 348 254 A 492 ASN HA A 493 ILE H 1.0 1.8 3.50 349 255 A 493 ILE H A 492 ASN HBx 1.0 1.8 4.75 350 255 A 492 ASN HBy A 493 ILE H 1.0 1.8 4.75 351 256 A 493 ILE HA A 494 PRO HDx 1.0 1.8 3.50 352 256 A 493 ILE HA A 494 PRO HDy 1.0 1.8 3.50 353 257 A 495 ILE H A 494 PRO HA 1.0 1.8 2.80 354 258 A 495 ILE H A 494 PRO HBx 1.0 1.8 3.50 355 258 A 495 ILE H A 494 PRO HBy 1.0 1.8 3.50 356 259 A 495 ILE H A 496 HIS H 1.0 1.8 4.75 357 260 A 495 ILE HA A 496 HIS H 1.0 1.8 2.80 358 261 A 495 ILE HA A 496 HIS HD2 1.0 1.8 6.00 359 262 A 495 ILE HB A 496 HIS H 1.0 1.8 4.75 360 263 A 495 ILE HB A 496 HIS HD2 1.0 1.8 6.00 361 264 A 495 ILE HG2% A 496 HIS H 1.0 1.8 6.00 362 265 A 495 ILE HG2% A 496 HIS HD2 1.0 1.8 6.00 363 266 A 495 ILE HD1% A 496 HIS HD2 1.0 1.8 6.00 364 267 A 496 HIS H A 495 ILE HG1y 1.0 1.8 6.00 365 267 A 495 ILE HG1x A 496 HIS H 1.0 1.8 6.00 366 268 A 496 HIS H A 497 SER H 1.0 1.8 4.75 367 269 A 496 HIS HA A 497 SER H 1.0 1.8 3.50 368 270 A 497 SER H A 498 CYS H 1.0 1.8 6.00 369 271 A 497 SER HA A 498 CYS H 1.0 1.8 2.80 370 272 A 497 SER HA A 498 CYS HB3 1.0 1.8 4.75 371 273 A 497 SER HA A 498 CYS HB2 1.0 1.8 6.00 372 274 A 498 CYS H A 497 SER HB2 1.0 1.8 3.50 373 274 A 497 SER HB3 A 498 CYS H 1.0 1.8 3.50 374 275 A 498 CYS H A 499 PRO HDy 1.0 1.8 6.00 375 275 A 498 CYS H A 499 PRO HDx 1.0 1.8 6.00 376 276 A 498 CYS HA A 499 PRO HDy 1.0 1.8 3.50 377 276 A 498 CYS HA A 499 PRO HDx 1.0 1.8 3.50 378 277 A 500 LYS H A 499 PRO HA 1.0 1.8 4.75 379 278 A 500 LYS H A 499 PRO HBx 1.0 1.8 3.50 380 278 A 500 LYS H A 499 PRO HBy 1.0 1.8 3.50 381 279 A 500 LYS H A 499 PRO HDy 1.0 1.8 4.75 382 279 A 500 LYS H A 499 PRO HDx 1.0 1.8 4.75 383 280 A 500 LYS H A 501 CYS H 1.0 1.8 2.80 384 281 A 500 LYS H A 501 CYS HA 1.0 1.8 6.00 385 282 A 500 LYS H A 501 CYS HB3 1.0 1.8 6.00 386 283 A 500 LYS HA A 501 CYS H 1.0 1.8 4.75 387 284 A 500 LYS HB3 A 501 CYS H 1.0 1.8 3.50 388 285 A 500 LYS HB2 A 501 CYS H 1.0 1.8 3.50 389 286 A 501 CYS H A 500 LYS HG2 1.0 1.8 4.75 390 286 A 500 LYS HG3 A 501 CYS H 1.0 1.8 4.75 391 287 A 501 CYS H A 500 LYS HDy 1.0 1.8 6.00 392 287 A 500 LYS HDx A 501 CYS H 1.0 1.8 6.00 393 288 A 501 CYS H A 502 GLY H 1.0 1.8 2.80 394 289 A 501 CYS H A 502 GLY HAx 1.0 1.8 4.75 395 289 A 501 CYS H A 502 GLY HAy 1.0 1.8 4.75 396 290 A 501 CYS HA A 502 GLY H 1.0 1.8 4.75 397 291 A 501 CYS HB3 A 502 GLY H 1.0 1.8 6.00 398 292 A 501 CYS HB2 A 502 GLY H 1.0 1.8 6.00 399 293 A 502 GLY H A 503 GLU H 1.0 1.8 3.50 400 294 A 502 GLY H A 503 GLU HBx 1.0 1.8 6.00 401 294 A 502 GLY H A 503 GLU HBy 1.0 1.8 6.00 402 295 A 503 GLU H A 502 GLY HAx 1.0 1.8 3.50 403 295 A 502 GLY HAy A 503 GLU H 1.0 1.8 3.50 404 296 A 503 GLU H A 504 VAL H 1.0 1.8 4.75 405 297 A 503 GLU HA A 504 VAL H 1.0 1.8 2.80 406 298 A 504 VAL H A 503 GLU HBx 1.0 1.8 4.75 407 298 A 503 GLU HBy A 504 VAL H 1.0 1.8 4.75 408 299 A 504 VAL H A 503 GLU HGy 1.0 1.8 3.50 409 299 A 503 GLU HGx A 504 VAL H 1.0 1.8 3.50 410 300 A 504 VAL H A 505 LEU H 1.0 1.8 4.75 411 301 A 504 VAL HA A 505 LEU H 1.0 1.8 2.80 412 302 A 504 VAL HA A 505 LEU HDy% 1.0 1.8 6.00 413 303 A 504 VAL HGx% A 505 LEU H 1.0 1.8 4.75 414 304 A 504 VAL HGy% A 505 LEU H 1.0 1.8 4.75 415 305 A 505 LEU HA A 506 PRO HDy 1.0 1.8 3.50 416 305 A 505 LEU HA A 506 PRO HDx 1.0 1.8 3.50 417 306 A 505 LEU HB3 A 506 PRO HDy 1.0 1.8 3.50 418 306 A 505 LEU HB3 A 506 PRO HDx 1.0 1.8 3.50 419 307 A 505 LEU HB2 A 506 PRO HDy 1.0 1.8 4.75 420 307 A 505 LEU HB2 A 506 PRO HDx 1.0 1.8 4.75 421 308 A 505 LEU HDy% A 506 PRO HDy 1.0 1.8 6.00 422 308 A 505 LEU HDy% A 506 PRO HDx 1.0 1.8 6.00 423 309 A 507 ASP H A 506 PRO HA 1.0 1.8 6.00 424 310 A 507 ASP H A 506 PRO HBy 1.0 1.8 4.75 425 310 A 507 ASP H A 506 PRO HBx 1.0 1.8 4.75 426 311 A 507 ASP H A 506 PRO HGy 1.0 1.8 4.75 427 311 A 507 ASP H A 506 PRO HGx 1.0 1.8 4.75 428 312 A 507 ASP H A 506 PRO HDy 1.0 1.8 4.75 429 312 A 507 ASP H A 506 PRO HDx 1.0 1.8 4.75 430 313 A 507 ASP H A 508 ILE H 1.0 1.8 6.00 431 314 A 507 ASP H A 508 ILE HA 1.0 1.8 6.00 432 315 A 507 ASP HA A 508 ILE H 1.0 1.8 2.80 433 316 A 508 ILE H A 507 ASP HB2 1.0 1.8 2.80 434 316 A 507 ASP HB3 A 508 ILE H 1.0 1.8 2.80 435 317 A 508 ILE H A 509 ASP H 1.0 1.8 3.50 436 318 A 508 ILE HA A 509 ASP H 1.0 1.8 3.50 437 319 A 508 ILE HB A 509 ASP H 1.0 1.8 3.50 438 320 A 508 ILE HG2% A 509 ASP H 1.0 1.8 4.75 439 321 A 509 ASP H A 508 ILE HG1x 1.0 1.8 4.75 440 321 A 508 ILE HG1y A 509 ASP H 1.0 1.8 4.75 441 322 A 509 ASP H A 510 THR H 1.0 1.8 3.50 442 323 A 509 ASP H A 510 THR HG2% 1.0 1.8 4.75 443 324 A 509 ASP HA A 510 THR H 1.0 1.8 6.00 444 325 A 510 THR H A 509 ASP HB2 1.0 1.8 3.50 445 325 A 509 ASP HB3 A 510 THR H 1.0 1.8 3.50 446 326 A 510 THR H A 511 LEU H 1.0 1.8 3.50 447 327 A 510 THR H A 511 LEU HB3 1.0 1.8 6.00 448 328 A 510 THR HA A 511 LEU H 1.0 1.8 3.50 449 329 A 511 LEU H A 512 GLN H 1.0 1.8 3.50 450 330 A 511 LEU HA A 512 GLN H 1.0 1.8 3.50 451 331 A 511 LEU HB3 A 512 GLN H 1.0 1.8 3.50 452 332 A 511 LEU HB2 A 512 GLN H 1.0 1.8 4.75 453 333 A 511 LEU HDx% A 512 GLN H 1.0 1.8 4.75 454 334 A 511 LEU HDy% A 512 GLN H 1.0 1.8 6.00 455 335 A 511 LEU HDy% A 512 GLN HA 1.0 1.8 6.00 456 336 A 512 GLN H A 513 ILE H 1.0 1.8 3.50 457 337 A 512 GLN HA A 513 ILE H 1.0 1.8 4.75 458 338 A 512 GLN HB3 A 513 ILE H 1.0 1.8 4.75 459 339 A 512 GLN HB2 A 513 ILE H 1.0 1.8 4.75 460 340 A 513 ILE H A 512 GLN HGy 1.0 1.8 6.00 461 340 A 512 GLN HGx A 513 ILE H 1.0 1.8 6.00 462 341 A 513 ILE H A 514 HIS H 1.0 1.8 3.50 463 342 A 513 ILE H A 514 HIS HB3 1.0 1.8 6.00 464 343 A 513 ILE HA A 514 HIS H 1.0 1.8 4.75 465 344 A 513 ILE HB A 514 HIS H 1.0 1.8 3.50 466 345 A 513 ILE HG2% A 514 HIS H 1.0 1.8 6.00 467 346 A 514 HIS H A 513 ILE HG1y 1.0 1.8 6.00 468 346 A 513 ILE HG1x A 514 HIS H 1.0 1.8 6.00 469 347 A 514 HIS H A 515 VAL H 1.0 1.8 3.50 470 348 A 514 HIS H A 515 VAL HGx% 1.0 1.8 6.00 471 349 A 514 HIS H A 515 VAL HGy% 1.0 1.8 6.00 472 350 A 514 HIS HA A 515 VAL H 1.0 1.8 4.75 473 351 A 514 HIS HB3 A 515 VAL H 1.0 1.8 3.50 474 352 A 514 HIS HB2 A 515 VAL H 1.0 1.8 4.75 475 353 A 514 HIS HD2 A 515 VAL H 1.0 1.8 4.75 476 354 A 514 HIS HD2 A 515 VAL HA 1.0 1.8 3.50 477 355 A 514 HIS HD2 A 515 VAL HB 1.0 1.8 6.00 478 356 A 514 HIS HD2 A 515 VAL HGx% 1.0 1.8 4.75 479 357 A 514 HIS HD2 A 515 VAL HGy% 1.0 1.8 4.75 480 358 A 515 VAL H A 516 MET H 1.0 1.8 3.50 481 359 A 515 VAL HA A 516 MET H 1.0 1.8 3.50 482 360 A 515 VAL HB A 516 MET H 1.0 1.8 3.50 483 361 A 515 VAL HGx% A 516 MET H 1.0 1.8 6.00 484 362 A 515 VAL HGx% A 516 MET HA 1.0 1.8 6.00 485 363 A 515 VAL HGy% A 516 MET H 1.0 1.8 4.75 486 364 A 516 MET H A 517 ASP H 1.0 1.8 2.80 487 365 A 516 MET HA A 517 ASP H 1.0 1.8 4.75 488 366 A 517 ASP H A 516 MET HBx 1.0 1.8 3.50 489 366 A 516 MET HBy A 517 ASP H 1.0 1.8 3.50 490 367 A 517 ASP H A 518 CYS H 1.0 1.8 2.80 491 368 A 517 ASP HA A 518 CYS H 1.0 1.8 6.00 492 369 A 518 CYS H A 517 ASP HBx 1.0 1.8 4.75 493 369 A 517 ASP HBy A 518 CYS H 1.0 1.8 4.75 494 370 A 518 CYS H A 519 ILE H 1.0 1.8 4.75 495 371 A 518 CYS HA A 519 ILE H 1.0 1.8 2.80 496 372 A 518 CYS HB3 A 519 ILE H 1.0 1.8 4.75 497 373 A 518 CYS HB2 A 519 ILE H 1.0 1.8 4.75 498 374 A 519 ILE H A 520 ILE H 1.0 1.8 6.00 499 375 A 519 ILE HA A 520 ILE H 1.0 1.8 3.50 500 376 A 519 ILE HB A 520 ILE H 1.0 1.8 4.75 501 377 A 520 ILE H A 519 ILE HG1y 1.0 1.8 6.00 502 377 A 519 ILE HG1x A 520 ILE H 1.0 1.8 6.00 503 378 A 495 ILE HG2% A 497 SER H 1.0 1.8 6.00 504 379 A 495 ILE HG2% A 497 SER HA 1.0 1.8 6.00 505 380 A 495 ILE HG2% A 497 SER HB2 1.0 1.8 4.75 506 380 A 495 ILE HG2% A 497 SER HB3 1.0 1.8 4.75 507 381 A 495 ILE HD1% A 497 SER HB2 1.0 1.8 6.00 508 381 A 495 ILE HD1% A 497 SER HB3 1.0 1.8 6.00 509 382 A 498 CYS HA A 500 LYS H 1.0 1.8 4.75 510 383 A 498 CYS HB3 A 500 LYS H 1.0 1.8 6.00 511 384 A 500 LYS H A 502 GLY H 1.0 1.8 4.75 512 385 A 500 LYS HB3 A 502 GLY H 1.0 1.8 6.00 513 386 A 501 CYS H A 503 GLU H 1.0 1.8 4.75 514 387 A 501 CYS HA A 503 GLU H 1.0 1.8 6.00 515 388 A 501 CYS HB2 A 503 GLU H 1.0 1.8 6.00 516 389 A 505 LEU HDy% A 503 GLU HBx 1.0 1.8 6.00 517 389 A 503 GLU HBy A 505 LEU HDy% 1.0 1.8 6.00 518 390 A 505 LEU HDy% A 503 GLU HGy 1.0 1.8 6.00 519 390 A 503 GLU HGx A 505 LEU HDy% 1.0 1.8 6.00 520 391 A 505 LEU H A 507 ASP H 1.0 1.8 6.00 521 392 A 505 LEU HA A 507 ASP H 1.0 1.8 6.00 522 393 A 505 LEU HB3 A 507 ASP H 1.0 1.8 3.50 523 394 A 505 LEU HB2 A 507 ASP H 1.0 1.8 4.75 524 395 A 505 LEU HG A 507 ASP H 1.0 1.8 6.00 525 396 A 505 LEU HDx% A 507 ASP H 1.0 1.8 6.00 526 397 A 505 LEU HDy% A 507 ASP H 1.0 1.8 6.00 527 398 A 507 ASP H A 509 ASP H 1.0 1.8 6.00 528 399 A 507 ASP HA A 509 ASP H 1.0 1.8 4.75 529 400 A 509 ASP H A 507 ASP HB2 1.0 1.8 3.50 530 400 A 507 ASP HB3 A 509 ASP H 1.0 1.8 3.50 531 401 A 508 ILE H A 510 THR H 1.0 1.8 6.00 532 402 A 508 ILE HA A 510 THR H 1.0 1.8 6.00 533 403 A 508 ILE HG2% A 510 THR H 1.0 1.8 6.00 534 404 A 509 ASP HA A 511 LEU H 1.0 1.8 4.75 535 405 A 511 LEU H A 509 ASP HB2 1.0 1.8 4.75 536 405 A 509 ASP HB3 A 511 LEU H 1.0 1.8 4.75 537 406 A 510 THR H A 512 GLN H 1.0 1.8 6.00 538 407 A 510 THR HA A 512 GLN H 1.0 1.8 4.75 539 408 A 510 THR HG2% A 512 GLN H 1.0 1.8 6.00 540 409 A 511 LEU H A 513 ILE H 1.0 1.8 6.00 541 410 A 512 GLN HA A 514 HIS H 1.0 1.8 6.00 542 411 A 512 GLN HB3 A 514 HIS H 1.0 1.8 6.00 543 412 A 512 GLN HB2 A 514 HIS H 1.0 1.8 6.00 544 413 A 513 ILE H A 515 VAL H 1.0 1.8 6.00 545 414 A 513 ILE H A 515 VAL HGy% 1.0 1.8 6.00 546 415 A 513 ILE HG2% A 515 VAL H 1.0 1.8 6.00 547 416 A 514 HIS H A 516 MET H 1.0 1.8 4.75 548 417 A 514 HIS HB3 A 516 MET H 1.0 1.8 6.00 549 418 A 514 HIS HD2 A 516 MET H 1.0 1.8 6.00 550 419 A 515 VAL H A 517 ASP H 1.0 1.8 6.00 551 420 A 515 VAL HA A 517 ASP H 1.0 1.8 6.00 552 421 A 498 CYS H A 501 CYS H 1.0 1.8 6.00 553 422 A 498 CYS HB3 A 501 CYS H 1.0 1.8 3.50 554 423 A 498 CYS HB2 A 501 CYS H 1.0 1.8 4.75 555 424 A 502 GLY H A 499 PRO HA 1.0 1.8 6.00 556 425 A 507 ASP H A 510 THR H 1.0 1.8 6.00 557 426 A 507 ASP H A 510 THR HB 1.0 1.8 3.50 558 427 A 507 ASP H A 510 THR HG2% 1.0 1.8 6.00 559 428 A 510 THR H A 507 ASP HB2 1.0 1.8 6.00 560 428 A 507 ASP HB3 A 510 THR H 1.0 1.8 6.00 561 429 A 508 ILE H A 511 LEU HB3 1.0 1.8 4.75 562 430 A 508 ILE HA A 511 LEU H 1.0 1.8 3.50 563 431 A 508 ILE HA A 511 LEU HB3 1.0 1.8 3.50 564 432 A 508 ILE HA A 511 LEU HB2 1.0 1.8 3.50 565 433 A 508 ILE HA A 511 LEU HG 1.0 1.8 3.50 566 434 A 508 ILE HA A 511 LEU HDy% 1.0 1.8 4.75 567 435 A 508 ILE HD1% A 511 LEU H 1.0 1.8 6.00 568 436 A 509 ASP HA A 512 GLN H 1.0 1.8 4.75 569 437 A 509 ASP HA A 512 GLN HB3 1.0 1.8 4.75 570 438 A 509 ASP HA A 512 GLN HB2 1.0 1.8 3.50 571 439 A 510 THR HA A 513 ILE H 1.0 1.8 4.75 572 440 A 510 THR HA A 513 ILE HB 1.0 1.8 3.50 573 441 A 510 THR HG2% A 513 ILE H 1.0 1.8 6.00 574 442 A 511 LEU HA A 514 HIS H 1.0 1.8 3.50 575 443 A 511 LEU HA A 514 HIS HB3 1.0 1.8 3.50 576 444 A 511 LEU HA A 514 HIS HB2 1.0 1.8 4.75 577 445 A 511 LEU HG A 514 HIS H 1.0 1.8 6.00 578 446 A 511 LEU HG A 514 HIS HD2 1.0 1.8 6.00 579 447 A 511 LEU HDx% A 514 HIS H 1.0 1.8 6.00 580 448 A 511 LEU HDx% A 514 HIS HD2 1.0 1.8 4.75 581 449 A 511 LEU HDy% A 514 HIS HD2 1.0 1.8 6.00 582 450 A 512 GLN H A 515 VAL H 1.0 1.8 6.00 583 451 A 512 GLN HA A 515 VAL H 1.0 1.8 4.75 584 452 A 512 GLN HA A 515 VAL HB 1.0 1.8 3.50 585 453 A 512 GLN HA A 515 VAL HGx% 1.0 1.8 4.75 586 454 A 512 GLN HA A 515 VAL HGy% 1.0 1.8 4.75 587 455 A 512 GLN HE21 A 515 VAL HB 1.0 1.8 6.00 588 456 A 512 GLN HE21 A 515 VAL HGx% 1.0 1.8 6.00 589 457 A 512 GLN HE21 A 515 VAL HGy% 1.0 1.8 6.00 590 458 A 513 ILE HA A 516 MET H 1.0 1.8 4.75 591 459 A 513 ILE HA A 516 MET HBx 1.0 1.8 4.75 592 459 A 513 ILE HA A 516 MET HBy 1.0 1.8 4.75 593 460 A 513 ILE HG2% A 516 MET H 1.0 1.8 6.00 594 461 A 514 HIS HA A 517 ASP HBx 1.0 1.8 4.75 595 461 A 514 HIS HA A 517 ASP HBy 1.0 1.8 4.75 596 462 A 515 VAL HA A 518 CYS HB3 1.0 1.8 3.50 597 463 A 515 VAL HA A 518 CYS HB2 1.0 1.8 3.50 598 464 A 498 CYS H A 502 GLY H 1.0 1.8 6.00 599 465 A 498 CYS H A 502 GLY HAx 1.0 1.8 6.00 600 465 A 498 CYS H A 502 GLY HAy 1.0 1.8 6.00 601 466 A 498 CYS HA A 502 GLY H 1.0 1.8 6.00 602 467 A 498 CYS HB3 A 502 GLY H 1.0 1.8 3.50 603 468 A 498 CYS HB2 A 502 GLY H 1.0 1.8 4.75 604 469 A 510 THR HG2% A 506 PRO HDy 1.0 1.8 4.75 605 469 A 510 THR HG2% A 506 PRO HDx 1.0 1.8 4.75 606 470 A 507 ASP H A 511 LEU H 1.0 1.8 4.75 607 471 A 508 ILE HA A 512 GLN H 1.0 1.8 4.75 608 472 A 508 ILE HG2% A 512 GLN HE21 1.0 1.8 6.00 609 473 A 508 ILE HD1% A 512 GLN HE21 1.0 1.8 6.00 610 474 A 509 ASP HA A 513 ILE H 1.0 1.8 6.00 611 475 A 510 THR HA A 514 HIS H 1.0 1.8 4.75 612 476 A 511 LEU HA A 515 VAL H 1.0 1.8 6.00 613 477 A 511 LEU HB3 A 515 VAL H 1.0 1.8 6.00 614 478 A 511 LEU HG A 515 VAL H 1.0 1.8 6.00 615 479 A 511 LEU HDx% A 515 VAL H 1.0 1.8 6.00 616 480 A 511 LEU HDy% A 515 VAL H 1.0 1.8 6.00 617 481 A 512 GLN HA A 516 MET H 1.0 1.8 6.00 618 482 A 514 HIS HD2 A 518 CYS HA 1.0 1.8 6.00 619 483 A 514 HIS HD2 A 518 CYS HB3 1.0 1.8 4.75 620 484 A 514 HIS HD2 A 518 CYS HB2 1.0 1.8 4.75 621 485 A 518 CYS HA A 514 HIS HE1 1.0 1.8 6.00 622 486 A 518 CYS HB3 A 514 HIS HE1 1.0 1.8 6.00 623 487 A 518 CYS HB2 A 514 HIS HE1 1.0 1.8 6.00 624 488 A 515 VAL HA A 519 ILE H 1.0 1.8 6.00 625 489 A 495 ILE HG2% A 504 VAL HA 1.0 1.8 6.00 626 490 A 495 ILE HG2% A 504 VAL HGy% 1.0 1.8 6.00 627 491 A 496 HIS H A 504 VAL HGx% 1.0 1.8 6.00 628 492 A 496 HIS H A 505 LEU H 1.0 1.8 6.00 629 493 A 496 HIS HB3 A 505 LEU H 1.0 1.8 6.00 630 494 A 496 HIS HB2 A 505 LEU H 1.0 1.8 4.75 631 495 A 496 HIS HD2 A 506 PRO HA 1.0 1.8 6.00 632 496 A 496 HIS HD2 A 507 ASP H 1.0 1.8 6.00 633 497 A 496 HIS HD2 A 507 ASP HA 1.0 1.8 3.50 634 498 A 496 HIS HD2 A 507 ASP HB2 1.0 1.8 4.75 635 498 A 496 HIS HD2 A 507 ASP HB3 1.0 1.8 4.75 636 499 A 496 HIS HD2 A 508 ILE H 1.0 1.8 6.00 637 500 A 496 HIS HD2 A 508 ILE HA 1.0 1.8 6.00 638 501 A 496 HIS HD2 A 508 ILE HB 1.0 1.8 6.00 639 502 A 496 HIS HD2 A 508 ILE HG2% 1.0 1.8 6.00 640 503 A 496 HIS HD2 A 508 ILE HD1% 1.0 1.8 6.00 641 504 A 496 HIS HA A 511 LEU HDy% 1.0 1.8 6.00 642 505 A 496 HIS HB3 A 511 LEU H 1.0 1.8 6.00 643 506 A 496 HIS HB3 A 511 LEU HB2 1.0 1.8 4.75 644 507 A 496 HIS HB3 A 511 LEU HDy% 1.0 1.8 4.75 645 508 A 496 HIS HB2 A 511 LEU HDy% 1.0 1.8 6.00 646 509 A 496 HIS HD2 A 511 LEU HDx% 1.0 1.8 6.00 647 510 A 496 HIS HD2 A 511 LEU HDy% 1.0 1.8 6.00 648 511 A 502 GLY H A 497 SER HB2 1.0 1.8 6.00 649 511 A 497 SER HB3 A 502 GLY H 1.0 1.8 6.00 650 512 A 497 SER HA A 504 VAL HA 1.0 1.8 3.50 651 513 A 504 VAL HGx% A 497 SER HB2 1.0 1.8 6.00 652 513 A 497 SER HB3 A 504 VAL HGx% 1.0 1.8 6.00 653 514 A 504 VAL HGy% A 497 SER HB2 1.0 1.8 4.75 654 514 A 497 SER HB3 A 504 VAL HGy% 1.0 1.8 4.75 655 515 A 497 SER H A 505 LEU HB3 1.0 1.8 6.00 656 516 A 497 SER HA A 505 LEU H 1.0 1.8 4.75 657 517 A 497 SER HA A 505 LEU HDy% 1.0 1.8 6.00 658 518 A 505 LEU H A 497 SER HB2 1.0 1.8 6.00 659 518 A 497 SER HB3 A 505 LEU H 1.0 1.8 6.00 660 519 A 505 LEU HDy% A 497 SER HB2 1.0 1.8 6.00 661 519 A 497 SER HB3 A 505 LEU HDy% 1.0 1.8 6.00 662 520 A 497 SER H A 511 LEU HDy% 1.0 1.8 6.00 663 521 A 511 LEU HDy% A 497 SER HB2 1.0 1.8 6.00 664 521 A 497 SER HB3 A 511 LEU HDy% 1.0 1.8 6.00 665 522 A 498 CYS H A 503 GLU H 1.0 1.8 4.75 666 523 A 498 CYS H A 503 GLU HA 1.0 1.8 6.00 667 524 A 498 CYS H A 503 GLU HBx 1.0 1.8 6.00 668 524 A 498 CYS H A 503 GLU HBy 1.0 1.8 6.00 669 525 A 498 CYS HB3 A 503 GLU H 1.0 1.8 3.50 670 526 A 498 CYS HB2 A 503 GLU H 1.0 1.8 4.75 671 527 A 498 CYS H A 504 VAL HA 1.0 1.8 4.75 672 528 A 498 CYS H A 504 VAL HGy% 1.0 1.8 6.00 673 529 A 498 CYS H A 505 LEU H 1.0 1.8 4.75 674 530 A 498 CYS H A 505 LEU HG 1.0 1.8 4.75 675 531 A 498 CYS H A 505 LEU HDx% 1.0 1.8 6.00 676 532 A 498 CYS H A 505 LEU HDy% 1.0 1.8 6.00 677 533 A 498 CYS HA A 505 LEU HDy% 1.0 1.8 6.00 678 534 A 498 CYS HB3 A 505 LEU HDy% 1.0 1.8 6.00 679 535 A 498 CYS HB2 A 505 LEU HDy% 1.0 1.8 6.00 680 536 A 498 CYS H A 511 LEU HDx% 1.0 1.8 6.00 681 537 A 498 CYS HA A 511 LEU HDx% 1.0 1.8 4.75 682 538 A 498 CYS HA A 511 LEU HDy% 1.0 1.8 6.00 683 539 A 498 CYS H A 514 HIS HD2 1.0 1.8 4.75 684 540 A 498 CYS HA A 514 HIS HD2 1.0 1.8 6.00 685 541 A 498 CYS HB3 A 514 HIS HD2 1.0 1.8 3.50 686 542 A 498 CYS HB3 A 514 HIS HE1 1.0 1.8 6.00 687 543 A 498 CYS HB2 A 514 HIS HD2 1.0 1.8 3.50 688 544 A 498 CYS HB2 A 514 HIS HE1 1.0 1.8 6.00 689 545 A 498 CYS HA A 515 VAL HGx% 1.0 1.8 6.00 690 546 A 498 CYS HA A 515 VAL HGy% 1.0 1.8 6.00 691 547 A 511 LEU HDx% A 499 PRO HDy 1.0 1.8 6.00 692 547 A 511 LEU HDx% A 499 PRO HDx 1.0 1.8 6.00 693 548 A 514 HIS HD2 A 499 PRO HDy 1.0 1.8 6.00 694 548 A 514 HIS HD2 A 499 PRO HDx 1.0 1.8 6.00 695 549 A 515 VAL HGx% A 499 PRO HDy 1.0 1.8 6.00 696 549 A 515 VAL HGx% A 499 PRO HDx 1.0 1.8 6.00 697 550 A 515 VAL HGy% A 499 PRO HDy 1.0 1.8 3.50 698 550 A 515 VAL HGy% A 499 PRO HDx 1.0 1.8 3.50 699 551 A 500 LYS H A 515 VAL HGx% 1.0 1.8 6.00 700 552 A 500 LYS H A 519 ILE HG2% 1.0 1.8 6.00 701 553 A 503 GLU H A 514 HIS HE1 1.0 1.8 6.00 702 554 A 514 HIS HD2 A 503 GLU HBx 1.0 1.8 6.00 703 554 A 503 GLU HBy A 514 HIS HD2 1.0 1.8 6.00 704 555 A 514 HIS HE1 A 503 GLU HBx 1.0 1.8 4.75 705 555 A 503 GLU HBy A 514 HIS HE1 1.0 1.8 4.75 706 556 A 514 HIS HE1 A 503 GLU HGy 1.0 1.8 4.75 707 556 A 503 GLU HGx A 514 HIS HE1 1.0 1.8 4.75 708 557 A 505 LEU HA A 510 THR HG2% 1.0 1.8 6.00 709 558 A 505 LEU HB3 A 510 THR HB 1.0 1.8 4.75 710 559 A 505 LEU HDy% A 510 THR HB 1.0 1.8 6.00 711 560 A 505 LEU HDy% A 510 THR HG2% 1.0 1.8 6.00 712 561 A 505 LEU HB3 A 511 LEU H 1.0 1.8 4.75 713 562 A 505 LEU HB3 A 511 LEU HA 1.0 1.8 3.50 714 563 A 505 LEU HB2 A 511 LEU H 1.0 1.8 6.00 715 564 A 505 LEU HDx% A 511 LEU H 1.0 1.8 6.00 716 565 A 505 LEU HDy% A 511 LEU H 1.0 1.8 6.00 717 566 A 505 LEU HDy% A 511 LEU HA 1.0 1.8 6.00 718 567 A 505 LEU HDy% A 511 LEU HB2 1.0 1.8 6.00 719 568 A 505 LEU HDy% A 511 LEU HDx% 1.0 1.8 6.00 720 569 A 505 LEU HDy% A 511 LEU HDy% 1.0 1.8 6.00 721 570 A 505 LEU HDx% A 514 HIS H 1.0 1.8 6.00 722 571 A 505 LEU HDx% A 514 HIS HD2 1.0 1.8 6.00 723 572 A 505 LEU HDx% A 514 HIS HE1 1.0 1.8 6.00 724 573 A 505 LEU HDy% A 514 HIS H 1.0 1.8 6.00 725 574 A 505 LEU HDy% A 514 HIS HB3 1.0 1.8 6.00 726 575 A 505 LEU HDy% A 514 HIS HB2 1.0 1.8 6.00 727 576 A 505 LEU HDy% A 514 HIS HD2 1.0 1.8 6.00 728 577 A 505 LEU HDy% A 514 HIS HE1 1.0 1.8 6.00 729 578 A 505 LEU HDx% A 515 VAL H 1.0 1.8 6.00 730 579 A 505 LEU HDy% A 515 VAL H 1.0 1.8 6.00 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin undefined _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 498 CYS SG A 501 CYS SG 1.0 3.55 3.95 2 2 A 498 CYS SG A 518 CYS SG 1.0 3.55 3.95 3 3 A 498 CYS SG A 514 HIS NE2 1.0 3.25 3.65 4 4 A 501 CYS SG A 518 CYS SG 1.0 3.55 3.95 5 5 A 501 CYS SG A 514 HIS NE2 1.0 3.25 3.65 6 6 A 518 CYS SG A 514 HIS NE2 1.0 3.25 3.65 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _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 496 HIS N A 496 HIS CA A 496 HIS CB A 496 HIS CG 1.0 -105.0 -15.0 CHI1 2 2 A 498 CYS N A 498 CYS CA A 498 CYS CB A 498 CYS SG 1.0 135.0 225.0 CHI1 3 3 A 500 LYS N A 500 LYS CA A 500 LYS CB A 500 LYS CG 1.0 -105.0 -15.0 CHI1 4 4 A 501 CYS N A 501 CYS CA A 501 CYS CB A 501 CYS SG 1.0 15.0 105.0 CHI1 5 5 A 505 LEU N A 505 LEU CA A 505 LEU CB A 505 LEU CG 1.0 -105.0 -15.0 CHI1 6 6 A 507 ASP N A 507 ASP CA A 507 ASP CB A 507 ASP CG 1.0 15.0 105.0 CHI1 7 7 A 511 LEU N A 511 LEU CA A 511 LEU CB A 511 LEU CG 1.0 135.0 225.0 CHI1 8 8 A 512 GLN N A 512 GLN CA A 512 GLN CB A 512 GLN CG 1.0 -105.0 -15.0 CHI1 9 9 A 514 HIS N A 514 HIS CA A 514 HIS CB A 514 HIS CG 1.0 135.0 225.0 CHI1 10 10 A 518 CYS N A 518 CYS CA A 518 CYS CB A 518 CYS SG 1.0 135.0 225.0 CHI1 stop_ save_ save_CNS/XPLOR_dihedral_5 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_5 _nef_dihedral_restraint_list.potential_type 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 492 ASN C A 493 ILE N A 493 ILE CA A 493 ILE C 1.0 -139.8 -65.4 PHI 2 2 A 493 ILE C A 494 PRO N A 494 PRO CA A 494 PRO C 1.0 -89.4 -54.4 PHI 3 3 A 494 PRO C A 495 ILE N A 495 ILE CA A 495 ILE C 1.0 -133.4 -73.4 PHI 4 4 A 495 ILE C A 496 HIS N A 496 HIS CA A 496 HIS C 1.0 -145.5 -73.5 PHI 5 5 A 496 HIS C A 497 SER N A 497 SER CA A 497 SER C 1.0 -134.4 -79.8 PHI 6 6 A 497 SER C A 498 CYS N A 498 CYS CA A 498 CYS C 1.0 -127.0 -78.8 PHI 7 7 A 499 PRO C A 500 LYS N A 500 LYS CA A 500 LYS C 1.0 -108.5 -69.9 PHI 8 8 A 502 GLY C A 503 GLU N A 503 GLU CA A 503 GLU C 1.0 -139.9 -60.5 PHI 9 9 A 503 GLU C A 504 VAL N A 504 VAL CA A 504 VAL C 1.0 -137.2 -74.6 PHI 10 10 A 504 VAL C A 505 LEU N A 505 LEU CA A 505 LEU C 1.0 -135.4 -64.2 PHI 11 11 A 505 LEU C A 506 PRO N A 506 PRO CA A 506 PRO C 1.0 -86.2 -44.2 PHI 12 12 A 506 PRO C A 507 ASP N A 507 ASP CA A 507 ASP C 1.0 -192.2 -92.2 PHI 13 13 A 508 ILE C A 509 ASP N A 509 ASP CA A 509 ASP C 1.0 -65.4 -58.0 PHI 14 14 A 509 ASP C A 510 THR N A 510 THR CA A 510 THR C 1.0 -70.3 -59.7 PHI 15 15 A 510 THR C A 511 LEU N A 511 LEU CA A 511 LEU C 1.0 -70.7 -54.5 PHI 16 16 A 511 LEU C A 512 GLN N A 512 GLN CA A 512 GLN C 1.0 -70.2 -52.4 PHI 17 17 A 512 GLN C A 513 ILE N A 513 ILE CA A 513 ILE C 1.0 -71.7 -60.3 PHI 18 18 A 513 ILE C A 514 HIS N A 514 HIS CA A 514 HIS C 1.0 -70.3 -55.7 PHI 19 19 A 514 HIS C A 515 VAL N A 515 VAL CA A 515 VAL C 1.0 -69.1 -52.7 PHI 20 20 A 515 VAL C A 516 MET N A 516 MET CA A 516 MET C 1.0 -89.1 -54.5 PHI 21 21 A 516 MET C A 517 ASP N A 517 ASP CA A 517 ASP C 1.0 -118.3 -81.5 PHI 22 22 A 517 ASP C A 518 CYS N A 518 CYS CA A 518 CYS C 1.0 -99.1 -55.5 PHI 23 23 A 518 CYS C A 519 ILE N A 519 ILE CA A 519 ILE C 1.0 -152.6 -67.6 PHI 24 24 A 493 ILE N A 493 ILE CA A 493 ILE C A 494 PRO N 1.0 80.2 168.0 PSI 25 25 A 494 PRO N A 494 PRO CA A 494 PRO C A 495 ILE N 1.0 135.7 167.9 PSI 26 26 A 495 ILE N A 495 ILE CA A 495 ILE C A 496 HIS N 1.0 101.7 159.9 PSI 27 27 A 496 HIS N A 496 HIS CA A 496 HIS C A 497 SER N 1.0 77.0 161.2 PSI 28 28 A 497 SER N A 497 SER CA A 497 SER C A 498 CYS N 1.0 96.4 144.2 PSI 29 29 A 498 CYS N A 498 CYS CA A 498 CYS C A 499 PRO N 1.0 104.1 148.3 PSI 30 30 A 500 LYS N A 500 LYS CA A 500 LYS C A 501 CYS N 1.0 -54.2 2.2 PSI 31 31 A 503 GLU N A 503 GLU CA A 503 GLU C A 504 VAL N 1.0 113.6 134.4 PSI 32 32 A 504 VAL N A 504 VAL CA A 504 VAL C A 505 LEU N 1.0 104.5 134.1 PSI 33 33 A 505 LEU N A 505 LEU CA A 505 LEU C A 506 PRO N 1.0 95.0 168.6 PSI 34 34 A 506 PRO N A 506 PRO CA A 506 PRO C A 507 ASP N 1.0 -56.8 -12.2 PSI 35 35 A 507 ASP N A 507 ASP CA A 507 ASP C A 508 ILE N 1.0 146.3 183.9 PSI 36 36 A 509 ASP N A 509 ASP CA A 509 ASP C A 510 THR N 1.0 -50.8 -35.0 PSI 37 37 A 510 THR N A 510 THR CA A 510 THR C A 511 LEU N 1.0 -46.3 -32.9 PSI 38 38 A 511 LEU N A 511 LEU CA A 511 LEU C A 512 GLN N 1.0 -53.1 -37.9 PSI 39 39 A 512 GLN N A 512 GLN CA A 512 GLN C A 513 ILE N 1.0 -52.9 -29.5 PSI 40 40 A 513 ILE N A 513 ILE CA A 513 ILE C A 514 HIS N 1.0 -50.0 -24.4 PSI 41 41 A 514 HIS N A 514 HIS CA A 514 HIS C A 515 VAL N 1.0 -55.3 -21.5 PSI 42 42 A 515 VAL N A 515 VAL CA A 515 VAL C A 516 MET N 1.0 -52.2 -29.6 PSI 43 43 A 516 MET N A 516 MET CA A 516 MET C A 517 ASP N 1.0 -49.3 -12.9 PSI 44 44 A 517 ASP N A 517 ASP CA A 517 ASP C A 518 CYS N 1.0 -23.0 22.2 PSI 45 45 A 518 CYS N A 518 CYS CA A 518 CYS C A 519 ILE N 1.0 120.0 158.8 PSI 46 46 A 519 ILE N A 519 ILE CA A 519 ILE C A 520 ILE N 1.0 101.7 150.9 PSI stop_ save_