data_nef_c19570_2mfs save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2MFS stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 1 CYS SG 1 17 CYS SG 1 8 CYS SG 1 23 CYS SG 1 16 CYS SG 1 33 CYS SG 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 1 CYS start -HG . 2 A 2 VAL middle . . 3 A 3 LEU middle . . 4 A 4 ILE middle . . 5 A 5 GLY middle . false 6 A 6 GLN middle . . 7 A 7 ARG middle . . 8 A 8 CYS middle -HG . 9 A 9 ASP middle . . 10 A 10 ASN middle . . 11 A 11 ASP middle . . 12 A 12 ARG middle . . 13 A 13 GLY middle . false 14 A 14 PRO middle . true 15 A 15 ARG middle . . 16 A 16 CYS middle -HG . 17 A 17 CYS middle -HG . 18 A 18 SER middle . . 19 A 19 GLY middle . false 20 A 20 GLN middle . . 21 A 21 GLY middle . false 22 A 22 ASN middle . . 23 A 23 CYS middle -HG . 24 A 24 VAL middle . . 25 A 25 PRO middle . false 26 A 26 LEU middle . . 27 A 27 PRO middle . false 28 A 28 PHE middle . . 29 A 29 LEU middle . . 30 A 30 GLY middle . false 31 A 31 GLY middle . false 32 A 32 VAL middle . . 33 A 33 CYS middle -HG . 34 A 34 ALA middle . . 35 A 35 VAL end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 CYS HA H 1 4.792 0.010 A 1 CYS HBy H 1 3.404 0.005 A 1 CYS HBx H 1 3.149 0.008 A 1 CYS CB C 13 40.802 0.000 A 2 VAL H H 1 8.976 0.003 A 2 VAL HA H 1 4.810 0.015 A 2 VAL HB H 1 2.482 0.000 A 2 VAL HGx% H 1 0.845 0.011 A 2 VAL HGy% H 1 0.702 0.007 A 2 VAL CA C 13 60.038 0.000 A 2 VAL CB C 13 34.424 0.000 A 3 LEU H H 1 7.973 0.002 A 3 LEU HA H 1 4.432 0.002 A 3 LEU HBx H 1 1.563 0.01 A 3 LEU HBy H 1 1.614 0.01 A 3 LEU HDx% H 1 0.842 0.01 A 3 LEU HDy% H 1 0.619 0.003 A 3 LEU HG H 1 1.484 0.008 A 3 LEU CA C 13 53.139 0.000 A 3 LEU CB C 13 42.658 0.000 A 4 ILE H H 1 8.340 0.003 A 4 ILE HA H 1 3.493 0.000 A 4 ILE HB H 1 1.580 0.006 A 4 ILE HD1% H 1 0.749 0.007 A 4 ILE HG1x H 1 1.444 0.007 A 4 ILE HG1y H 1 1.444 0.007 A 4 ILE HG2% H 1 0.852 0.011 A 4 ILE CA C 13 63.129 0.000 A 4 ILE CB C 13 38.436 0.000 A 5 GLY H H 1 9.146 0.003 A 5 GLY HAy H 1 4.289 0.000 A 5 GLY HAx H 1 3.493 0.001 A 5 GLY CA C 13 44.749 0.000 A 6 GLN H H 1 8.233 0.002 A 6 GLN HA H 1 4.492 0.004 A 6 GLN HBx H 1 1.934 0.002 A 6 GLN HBy H 1 2.459 0.000 A 6 GLN HE2x H 1 6.737 0.004 A 6 GLN HE2y H 1 7.663 0.001 A 6 GLN HGx H 1 2.218 0.000 A 6 GLN HGy H 1 2.218 0.000 A 6 GLN CA C 13 54.800 0.000 A 6 GLN CB C 13 29.633 0.000 A 7 ARG H H 1 8.123 0.000 A 7 ARG HA H 1 4.783 0.003 A 7 ARG HBx H 1 1.851 0.000 A 7 ARG HBy H 1 1.851 0.000 A 7 ARG HDx H 1 3.252 0.000 A 7 ARG HDy H 1 3.252 0.000 A 7 ARG HE H 1 7.324 0.000 A 7 ARG HGx H 1 1.644 0.003 A 7 ARG HGy H 1 1.742 0.007 A 7 ARG CA C 13 54.161 0.000 A 7 ARG CD C 13 42.668 0.000 A 8 CYS H H 1 8.013 0.002 A 8 CYS HA H 1 4.887 0.000 A 8 CYS HBx H 1 2.758 0.008 A 8 CYS HBy H 1 3.004 0.000 A 8 CYS CA C 13 52.945 0.000 A 8 CYS CB C 13 48.577 0.000 A 9 ASP H H 1 8.432 0.002 A 9 ASP HA H 1 4.381 0.000 A 9 ASP HBy H 1 2.672 0.000 A 9 ASP HBx H 1 2.483 0.000 A 9 ASP CA C 13 54.266 0.000 A 9 ASP CB C 13 43.113 0.000 A 10 ASN H H 1 9.082 0.002 A 10 ASN HA H 1 4.513 0.000 A 10 ASN HBx H 1 2.620 0.000 A 10 ASN HBy H 1 2.761 0.000 A 10 ASN HD2x H 1 7.187 0.003 A 10 ASN HD2y H 1 7.516 0.001 A 10 ASN CA C 13 55.038 0.000 A 10 ASN CB C 13 38.176 0.000 A 11 ASP H H 1 8.418 0.003 A 11 ASP HA H 1 4.664 0.000 A 11 ASP HBx H 1 2.842 0.000 A 11 ASP HBy H 1 2.842 0.000 A 11 ASP CA C 13 55.521 0.000 A 11 ASP CB C 13 39.457 0.000 A 12 ARG H H 1 8.191 0.002 A 12 ARG HA H 1 4.321 0.000 A 12 ARG HBx H 1 1.626 0.000 A 12 ARG HBy H 1 1.910 0.000 A 12 ARG HDx H 1 3.137 0.000 A 12 ARG HDy H 1 3.137 0.000 A 12 ARG HE H 1 7.163 0.000 A 12 ARG HGx H 1 1.555 0.000 A 12 ARG HGy H 1 1.555 0.000 A 12 ARG CA C 13 55.928 0.000 A 12 ARG CD C 13 42.979 0.000 A 13 GLY H H 1 7.410 0.004 A 13 GLY HAy H 1 4.288 0.009 A 13 GLY HAx H 1 3.640 0.000 A 13 GLY CA C 13 44.220 0.000 A 14 PRO HA H 1 4.497 0.000 A 14 PRO HBx H 1 1.987 0.006 A 14 PRO HBy H 1 2.354 0.006 A 14 PRO HDx H 1 3.392 0.000 A 14 PRO HDy H 1 3.392 0.000 A 14 PRO HGx H 1 1.900 0.005 A 14 PRO HGy H 1 2.076 0.006 A 14 PRO CB C 13 34.666 0.000 A 14 PRO CD C 13 49.817 0.000 A 14 PRO CG C 13 24.845 0.000 A 15 ARG H H 1 8.632 0.003 A 15 ARG HA H 1 4.413 0.000 A 15 ARG HBy H 1 1.993 0.000 A 15 ARG HBx H 1 1.512 0.000 A 15 ARG HDx H 1 3.189 0.000 A 15 ARG HDy H 1 3.189 0.000 A 15 ARG HE H 1 7.117 0.001 A 15 ARG HGx H 1 1.675 0.000 A 15 ARG HGy H 1 1.769 0.008 A 15 ARG CA C 13 54.444 0.000 A 15 ARG CD C 13 42.979 0.000 A 16 CYS H H 1 8.968 0.004 A 16 CYS HA H 1 4.57 0.003 A 16 CYS HBx H 1 2.463 0.006 A 16 CYS HBy H 1 2.826 0.000 A 16 CYS CA C 13 55.690 0.000 A 16 CYS CB C 13 39.457 0.000 A 17 CYS H H 1 10.147 0.004 A 17 CYS HA H 1 4.564 0.000 A 17 CYS HBy H 1 3.374 0.000 A 17 CYS HBx H 1 2.235 0.000 A 17 CYS CA C 13 53.495 0.000 A 17 CYS CB C 13 39.486 0.067 A 18 SER H H 1 8.943 0.004 A 18 SER HA H 1 4.219 0.000 A 18 SER HBx H 1 3.842 0.000 A 18 SER HBy H 1 3.842 0.000 A 18 SER CA C 13 60.065 0.000 A 18 SER CB C 13 62.259 0.000 A 19 GLY H H 1 8.946 0.000 A 19 GLY HAy H 1 4.245 0.000 A 19 GLY HAx H 1 3.857 0.000 A 19 GLY CA C 13 45.411 0.057 A 20 GLN H H 1 7.902 0.004 A 20 GLN HA H 1 4.280 0.000 A 20 GLN HBy H 1 2.623 0.003 A 20 GLN HBx H 1 1.994 0.000 A 20 GLN HE2x H 1 6.710 0.003 A 20 GLN HE2y H 1 7.570 0.000 A 20 GLN HGx H 1 1.987 0.004 A 20 GLN HGy H 1 2.146 0.003 A 20 GLN CA C 13 52.605 0.000 A 21 GLY H H 1 7.685 0.005 A 21 GLY HAy H 1 3.805 0.000 A 21 GLY HAx H 1 3.519 0.000 A 21 GLY CA C 13 44.825 0.000 A 22 ASN H H 1 8.318 0.009 A 22 ASN HA H 1 4.937 0.004 A 22 ASN HBx H 1 2.527 0.000 A 22 ASN HBy H 1 2.599 0.002 A 22 ASN HD2x H 1 6.972 0.004 A 22 ASN HD2y H 1 7.604 0.000 A 22 ASN CA C 13 50.833 0.000 A 22 ASN CB C 13 41.252 0.000 A 23 CYS H H 1 8.956 0.000 A 23 CYS HA H 1 4.671 0.000 A 23 CYS HBx H 1 2.973 0.006 A 23 CYS HBy H 1 3.035 0.007 A 23 CYS CA C 13 51.888 0.000 A 23 CYS CB C 13 38.365 0.000 A 24 VAL H H 1 8.895 0.002 A 24 VAL HA H 1 4.497 0.002 A 24 VAL HB H 1 2.147 0.007 A 24 VAL HGx% H 1 0.961 0.004 A 24 VAL HGy% H 1 0.894 0.009 A 24 VAL CB C 13 34.899 0.000 A 25 PRO HA H 1 4.499 0.000 A 25 PRO HBy H 1 2.102 0.008 A 25 PRO HBx H 1 1.798 0.007 A 25 PRO HDx H 1 3.675 0.000 A 25 PRO HDy H 1 3.855 0.000 A 25 PRO HGx H 1 1.917 0.000 A 25 PRO HGy H 1 1.947 0.008 A 25 PRO CD C 13 50.743 0.019 A 26 LEU H H 1 8.145 0.003 A 26 LEU HA H 1 4.780 0.000 A 26 LEU HBx H 1 1.576 0.006 A 26 LEU HBy H 1 1.654 0.000 A 26 LEU HDx% H 1 0.863 0.001 A 26 LEU HDy% H 1 0.769 0.005 A 26 LEU HG H 1 1.451 0.006 A 26 LEU CA C 13 55.861 0.000 A 26 LEU CB C 13 42.984 0.000 A 27 PRO HA H 1 4.013 0.003 A 27 PRO HBx H 1 1.593 0.006 A 27 PRO HBy H 1 1.945 0.005 A 27 PRO HDx H 1 3.564 0.003 A 27 PRO HDy H 1 3.773 0.005 A 27 PRO HGx H 1 1.881 0.000 A 27 PRO HGy H 1 2.020 0.000 A 27 PRO CA C 13 64.112 0.000 A 27 PRO CB C 13 31.664 0.03 A 27 PRO CD C 13 50.592 0.019 A 28 PHE H H 1 8.364 0.001 A 28 PHE HA H 1 4.187 0.000 A 28 PHE HBx H 1 3.238 0.000 A 28 PHE HBy H 1 3.323 0.000 A 28 PHE HDx H 1 7.203 0.005 A 28 PHE HDy H 1 7.203 0.005 A 28 PHE HEx H 1 7.335 0.001 A 28 PHE HEy H 1 7.335 0.001 A 28 PHE CA C 13 60.859 0.000 A 28 PHE CB C 13 37.698 0.000 A 29 LEU H H 1 8.239 0.002 A 29 LEU HA H 1 4.360 0.000 A 29 LEU HBx H 1 1.520 0.000 A 29 LEU HBy H 1 1.520 0.000 A 29 LEU HDx% H 1 0.870 0.005 A 29 LEU HDy% H 1 0.870 0.005 A 29 LEU HG H 1 1.613 0.000 A 29 LEU CA C 13 55.572 0.000 A 29 LEU CB C 13 44.027 0.000 A 30 GLY H H 1 7.976 0.002 A 30 GLY HAy H 1 4.337 0.000 A 30 GLY HAx H 1 3.704 0.000 A 30 GLY CA C 13 44.654 0.056 A 31 GLY H H 1 8.061 0.002 A 31 GLY HAx H 1 3.586 0.002 A 31 GLY HAy H 1 4.442 0.000 A 31 GLY CA C 13 46.129 0.018 A 32 VAL H H 1 8.601 0.002 A 32 VAL HA H 1 4.835 0.000 A 32 VAL HB H 1 1.745 0.000 A 32 VAL HGx% H 1 0.798 0.009 A 32 VAL HGy% H 1 0.756 0.01 A 32 VAL CA C 13 60.065 0.000 A 32 VAL CB C 13 36.485 0.000 A 33 CYS H H 1 7.979 0.002 A 33 CYS HA H 1 4.942 0.000 A 33 CYS HBx H 1 3.052 0.000 A 33 CYS HBy H 1 3.579 0.008 A 33 CYS CA C 13 56.391 0.000 A 33 CYS CB C 13 39.298 0.052 A 34 ALA H H 1 9.715 0.001 A 34 ALA HA H 1 4.754 0.000 A 34 ALA HB% H 1 1.403 0.001 A 34 ALA CA C 13 51.829 0.000 A 34 ALA CB C 13 22.603 0.000 A 35 VAL H H 1 8.415 0.006 A 35 VAL HA H 1 4.215 0.000 A 35 VAL HB H 1 2.150 0.000 A 35 VAL CA C 13 61.578 0.000 A 35 VAL CB C 13 34.899 0.000 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 24 VAL H A 33 CYS HA 1.0 1.8 4.17 2 2 A 14 PRO HA A 15 ARG H 1.0 1.8 2.93 3 3 A 27 PRO HA A 28 PHE H 1.0 1.8 3.63 4 4 A 31 GLY H A 30 GLY HAx 1.0 1.8 3.48 5 5 A 31 GLY H A 30 GLY HAy 1.0 1.8 3.48 6 6 A 17 CYS HA A 18 SER H 1.0 1.8 2.93 7 7 A 29 LEU H A 28 PHE HBx 1.0 1.8 4.20 8 8 A 29 LEU H A 28 PHE HBy 1.0 1.8 4.20 9 9 A 10 ASN HBx A 11 ASP H 1.0 1.8 4.35 10 10 A 9 ASP HA A 10 ASN H 1.0 1.8 2.83 11 11 A 12 ARG H A 11 ASP HBx 1.0 1.8 5.11 12 11 A 11 ASP HBy A 12 ARG H 1.0 1.8 5.11 13 12 A 4 ILE HA A 5 GLY H 1.0 1.8 2.59 14 13 A 19 GLY H A 20 GLN H 1.0 1.8 5.34 15 14 A 9 ASP H A 13 GLY H 1.0 1.8 5.10 16 15 A 22 ASN H A 34 ALA H 1.0 1.8 3.64 17 16 A 24 VAL H A 32 VAL H 1.0 1.8 3.27 18 17 A 15 ARG H A 16 CYS H 1.0 1.8 5.00 19 18 A 31 GLY H A 32 VAL H 1.0 1.8 5.00 20 19 A 20 GLN H A 21 GLY H 1.0 1.8 5.50 21 20 A 18 SER H A 17 CYS HBx 1.0 1.8 3.11 22 21 A 18 SER H A 17 CYS HBy 1.0 1.8 4.20 23 22 A 23 CYS H A 22 ASN HBx 1.0 1.8 5.13 24 23 A 23 CYS H A 22 ASN HBy 1.0 1.8 5.13 25 24 A 13 GLY H A 12 ARG HBy 1.0 1.8 4.97 26 25 A 13 GLY H A 12 ARG HBx 1.0 1.8 4.07 27 26 A 13 GLY H A 9 ASP HBy 1.0 1.8 5.04 28 27 A 12 ARG H A 9 ASP HBx 1.0 1.8 3.95 29 28 A 13 GLY H A 9 ASP HBx 1.0 1.8 3.67 30 29 A 14 PRO HA A 13 GLY H 1.0 1.8 5.04 31 30 A 34 ALA H A 21 GLY HAx 1.0 1.8 4.51 32 31 A 24 VAL H A 34 ALA H 1.0 1.8 4.72 33 32 A 32 VAL H A 26 LEU H 1.0 1.8 4.63 34 33 A 32 VAL H A 25 PRO HA 1.0 1.8 3.58 35 34 A 30 GLY H A 29 LEU HBx 1.0 1.8 6.23 36 34 A 29 LEU HBy A 30 GLY H 1.0 1.8 6.23 37 35 A 27 PRO HA A 29 LEU H 1.0 1.8 5.50 38 36 A 16 CYS H A 15 ARG HBy 1.0 1.8 4.63 39 37 A 9 ASP H A 13 GLY HAy 1.0 1.8 4.45 40 38 A 10 ASN H A 9 ASP HBx 1.0 1.8 4.07 41 39 A 10 ASN H A 9 ASP HBy 1.0 1.8 5.10 42 40 A 12 ARG H A 13 GLY HAy 1.0 1.8 5.47 43 41 A 15 ARG H A 1 CYS HA 1.0 1.8 4.69 44 42 A 15 ARG H A 13 GLY HAx 1.0 1.8 4.38 45 43 A 15 ARG H A 13 GLY HAy 1.0 1.8 4.07 46 44 A 26 LEU H A 25 PRO HBy 1.0 1.8 4.42 47 45 A 29 LEU H A 30 GLY H 1.0 1.8 4.07 48 46 A 1 CYS HBy A 2 VAL H 1.0 1.8 3.21 49 47 A 2 VAL H A 3 LEU H 1.0 1.8 5.38 50 48 A 10 ASN H A 12 ARG H 1.0 1.8 5.50 51 49 A 12 ARG H A 13 GLY H 1.0 1.8 2.96 52 50 A 2 VAL H A 17 CYS H 1.0 1.8 3.70 53 51 A 18 SER H A 17 CYS H 1.0 1.8 5.22 54 52 A 11 ASP H A 10 ASN H 1.0 1.8 3.83 55 53 A 11 ASP H A 12 ARG H 1.0 1.8 3.08 56 54 A 32 VAL H A 8 CYS H 1.0 1.8 5.25 57 55 A 11 ASP H A 13 GLY H 1.0 1.8 4.94 58 56 A 10 ASN H A 9 ASP H 1.0 1.8 4.72 59 57 A 13 GLY H A 12 ARG HGy 1.0 1.8 6.38 60 57 A 13 GLY H A 12 ARG HGx 1.0 1.8 6.38 61 58 A 30 GLY H A 29 LEU HG 1.0 1.8 5.50 62 59 A 10 ASN H A 23 CYS HBx 1.0 1.8 5.50 63 60 A 10 ASN HD2x A 23 CYS HBy 1.0 1.8 5.50 64 61 A 23 CYS HBx A 10 ASN HD2x 1.0 1.8 5.50 65 62 A 23 CYS HBx A 10 ASN HD2y 1.0 1.8 5.50 66 63 A 23 CYS HBy A 10 ASN HD2y 1.0 1.8 5.50 67 64 A 10 ASN H A 23 CYS HBy 1.0 1.8 5.50 68 65 A 29 LEU H A 28 PHE HD% 1.0 1.8 7.63 69 66 A 15 ARG H A 1 CYS HBy 1.0 1.8 5.50 70 67 A 3 LEU HG A 6 GLN HE2x 1.0 1.8 5.50 71 68 A 3 LEU HG A 6 GLN HE2y 1.0 1.8 5.50 72 69 A 6 GLN HE2y A 3 LEU HBy 1.0 1.8 5.50 73 70 A 3 LEU HBy A 20 GLN HE2y 1.0 1.8 5.50 74 71 A 3 LEU HG A 4 ILE H 1.0 1.8 5.50 75 72 A 10 ASN HA A 15 ARG HE 1.0 1.8 5.50 76 73 A 4 ILE H A 20 GLN HGx 1.0 1.8 5.50 77 74 A 4 ILE H A 20 GLN HGy 1.0 1.8 5.50 78 75 A 9 ASP H A 14 PRO HGy 1.0 1.8 5.50 79 76 A 9 ASP H A 15 ARG HGx 1.0 1.8 5.50 80 77 A 4 ILE H A 20 GLN HBx 1.0 1.8 4.76 81 78 A 4 ILE H A 33 CYS HBx 1.0 1.8 5.50 82 79 A 33 CYS H A 32 VAL HGx% 1.0 1.8 5.62 83 80 A 33 CYS H A 32 VAL HGy% 1.0 1.8 5.62 84 81 A 28 PHE HE% A 29 LEU HDy% 1.0 1.8 9.73 85 81 A 28 PHE HE% A 29 LEU HDx% 1.0 1.8 9.73 86 82 A 28 PHE HD% A 29 LEU HDy% 1.0 1.8 9.73 87 82 A 28 PHE HD% A 29 LEU HDx% 1.0 1.8 9.73 88 83 A 20 GLN HE2y A 3 LEU HDy% 1.0 1.8 6.12 89 84 A 20 GLN HE2y A 4 ILE HD1% 1.0 1.8 6.27 90 85 A 20 GLN HE2y A 3 LEU HDx% 1.0 1.8 6.21 91 86 A 3 LEU HDy% A 20 GLN HE2x 1.0 1.8 6.46 92 87 A 30 GLY H A 29 LEU HDy% 1.0 1.8 7.60 93 87 A 30 GLY H A 29 LEU HDx% 1.0 1.8 7.60 94 88 A 15 ARG H A 2 VAL HGy% 1.0 1.8 6.52 95 89 A 15 ARG H A 2 VAL HGx% 1.0 1.8 6.52 96 90 A 6 GLN HE2x A 3 LEU HDx% 1.0 1.8 5.93 97 91 A 6 GLN HE2y A 3 LEU HDx% 1.0 1.8 6.52 98 92 A 4 ILE HG2% A 35 VAL H 1.0 1.8 5.99 99 93 A 32 VAL H A 34 ALA HB% 1.0 1.8 6.52 100 94 A 31 GLY H A 29 LEU HDy% 1.0 1.8 7.60 101 94 A 31 GLY H A 29 LEU HDx% 1.0 1.8 7.60 102 95 A 32 VAL H A 31 GLY HAx 1.0 1.8 2.96 103 96 A 32 VAL H A 31 GLY HAy 1.0 1.8 2.96 104 97 A 26 LEU H A 25 PRO HA 1.0 1.8 2.59 105 98 A 8 CYS H A 7 ARG HA 1.0 1.8 2.49 106 99 A 24 VAL H A 23 CYS HA 1.0 1.8 2.77 107 100 A 33 CYS H A 32 VAL HA 1.0 1.8 2.96 108 101 A 9 ASP H A 8 CYS HA 1.0 1.8 2.96 109 102 A 9 ASP H A 8 CYS HBx 1.0 1.8 3.24 110 103 A 9 ASP H A 8 CYS HBy 1.0 1.8 3.67 111 104 A 25 PRO HA A 31 GLY HAy 1.0 1.8 3.27 112 105 A 16 CYS H A 15 ARG HA 1.0 1.8 3.08 113 106 A 5 GLY H A 4 ILE H 1.0 1.8 5.31 114 107 A 33 CYS H A 6 GLN H 1.0 1.8 3.89 115 108 A 9 ASP H A 8 CYS H 1.0 1.8 5.50 116 109 A 32 VAL H A 33 CYS H 1.0 1.8 4.45 117 110 A 17 CYS H A 20 GLN HBy 1.0 1.8 3.24 118 111 A 17 CYS H A 16 CYS HBy 1.0 1.8 3.79 119 112 A 17 CYS H A 16 CYS HBx 1.0 1.8 3.98 120 113 A 17 CYS H A 16 CYS HA 1.0 1.8 2.80 121 114 A 6 GLN HBx A 7 ARG H 1.0 1.8 3.67 122 115 A 13 GLY H A 12 ARG HA 1.0 1.8 3.45 123 116 A 4 ILE H A 3 LEU HA 1.0 1.8 3.08 124 117 A 3 LEU H A 4 ILE H 1.0 1.8 4.88 125 118 A 13 GLY H A 11 ASP HBx 1.0 1.8 6.38 126 118 A 11 ASP HBy A 13 GLY H 1.0 1.8 6.38 127 119 A 4 ILE HA A 6 GLN H 1.0 1.8 3.39 128 120 A 33 CYS HA A 34 ALA H 1.0 1.8 2.59 129 121 A 34 ALA H A 33 CYS HBy 1.0 1.8 4.35 130 122 A 34 ALA H A 33 CYS HBx 1.0 1.8 4.76 131 123 A 34 ALA H A 21 GLY HAy 1.0 1.8 4.51 132 124 A 34 ALA H A 23 CYS HA 1.0 1.8 3.86 133 125 A 34 ALA H A 33 CYS H 1.0 1.8 5.50 134 126 A 33 CYS H A 32 VAL HB 1.0 1.8 3.73 135 127 A 32 VAL H A 23 CYS HA 1.0 1.8 4.35 136 128 A 5 GLY H A 4 ILE HB 1.0 1.8 4.48 137 129 A 4 ILE HA A 33 CYS H 1.0 1.8 4.20 138 130 A 16 CYS H A 15 ARG HBx 1.0 1.8 3.24 139 131 A 17 CYS H A 3 LEU HA 1.0 1.8 3.95 140 132 A 7 ARG H A 6 GLN HBy 1.0 1.8 3.24 141 133 A 8 CYS H A 7 ARG HBx 1.0 1.8 5.08 142 133 A 8 CYS H A 7 ARG HBy 1.0 1.8 5.08 143 134 A 8 CYS H A 31 GLY HAy 1.0 1.8 4.29 144 135 A 24 VAL H A 23 CYS HBx 1.0 1.8 5.50 145 136 A 24 VAL H A 23 CYS HBy 1.0 1.8 5.50 146 137 A 5 GLY H A 6 GLN H 1.0 1.8 3.48 147 138 A 1 CYS HA A 2 VAL H 1.0 1.8 3.48 148 139 A 3 LEU HBy A 4 ILE H 1.0 1.8 3.95 149 140 A 4 ILE H A 3 LEU HBx 1.0 1.8 3.45 150 141 A 17 CYS H A 20 GLN HBx 1.0 1.8 3.61 151 142 A 26 LEU H A 31 GLY HAy 1.0 1.8 4.07 152 143 A 26 LEU H A 25 PRO HBx 1.0 1.8 4.42 153 144 A 26 LEU H A 31 GLY HAx 1.0 1.8 3.42 154 145 A 3 LEU H A 2 VAL HB 1.0 1.8 2.62 155 146 A 3 LEU H A 6 GLN HBy 1.0 1.8 3.92 156 147 A 2 VAL H A 1 CYS HBx 1.0 1.8 4.03 157 148 A 3 LEU H A 2 VAL HA 1.0 1.8 2.93 158 149 A 7 ARG H A 6 GLN HA 1.0 1.8 2.80 159 150 A 12 ARG HA A 11 ASP HBx 1.0 1.8 6.38 160 150 A 11 ASP HBy A 12 ARG HA 1.0 1.8 6.38 161 151 A 5 GLY H A 33 CYS H 1.0 1.8 4.29 162 152 A 17 CYS H A 2 VAL HA 1.0 1.8 4.54 163 153 A 17 CYS H A 20 GLN HA 1.0 1.8 5.50 164 154 A 2 VAL H A 16 CYS HA 1.0 1.8 3.67 165 155 A 9 ASP H A 10 ASN HA 1.0 1.8 5.04 166 156 A 4 ILE H A 20 GLN HA 1.0 1.8 4.66 167 157 A 6 GLN H A 4 ILE HB 1.0 1.8 5.00 168 158 A 3 LEU HBy A 6 GLN H 1.0 1.8 5.50 169 159 A 14 PRO HA A 13 GLY HAy 1.0 1.8 2.83 170 160 A 20 GLN HBy A 16 CYS HA 1.0 1.8 3.98 171 161 A 9 ASP HBx A 12 ARG HA 1.0 1.8 5.13 172 162 A 26 LEU HBy A 27 PRO HDx 1.0 1.8 5.50 173 163 A 26 LEU HA A 27 PRO HDx 1.0 1.8 3.98 174 164 A 26 LEU HA A 27 PRO HDy 1.0 1.8 3.98 175 165 A 24 VAL HA A 25 PRO HDx 1.0 1.8 2.80 176 166 A 24 VAL HA A 25 PRO HDy 1.0 1.8 2.80 177 167 A 17 CYS H A 1 CYS HBx 1.0 1.8 5.45 178 168 A 7 ARG H A 6 GLN HGx 1.0 1.8 6.38 179 168 A 7 ARG H A 6 GLN HGy 1.0 1.8 6.38 180 169 A 34 ALA H A 22 ASN HBy 1.0 1.8 5.50 181 170 A 32 VAL H A 24 VAL HB 1.0 1.8 5.38 182 171 A 5 GLY H A 33 CYS HBx 1.0 1.8 3.64 183 172 A 5 GLY H A 4 ILE HG1x 1.0 1.8 6.38 184 172 A 5 GLY H A 4 ILE HG1y 1.0 1.8 6.38 185 173 A 28 PHE HD% A 27 PRO HBy 1.0 1.8 7.63 186 174 A 28 PHE HE% A 27 PRO HBy 1.0 1.8 7.63 187 175 A 28 PHE HE% A 27 PRO HBx 1.0 1.8 7.63 188 176 A 28 PHE HD% A 27 PRO HBx 1.0 1.8 7.63 189 177 A 16 CYS H A 15 ARG HGy 1.0 1.8 5.50 190 178 A 16 CYS H A 15 ARG HGx 1.0 1.8 5.50 191 179 A 15 ARG HBy A 2 VAL H 1.0 1.8 5.50 192 180 A 9 ASP H A 14 PRO HDx 1.0 1.8 6.39 193 180 A 9 ASP H A 14 PRO HDy 1.0 1.8 6.39 194 181 A 33 CYS HBx A 6 GLN H 1.0 1.8 4.72 195 182 A 5 GLY H A 33 CYS HBy 1.0 1.8 4.94 196 183 A 34 ALA H A 24 VAL HB 1.0 1.8 5.50 197 184 A 34 ALA H A 22 ASN HBx 1.0 1.8 5.50 198 185 A 26 LEU HBx A 27 PRO HDx 1.0 1.8 5.50 199 186 A 27 PRO HDy A 26 LEU HBy 1.0 1.8 5.50 200 187 A 8 CYS HA A 14 PRO HDx 1.0 1.8 5.24 201 187 A 8 CYS HA A 14 PRO HDy 1.0 1.8 5.24 202 188 A 4 ILE H A 20 GLN HBy 1.0 1.8 4.76 203 189 A 9 ASP H A 14 PRO HGx 1.0 1.8 5.50 204 190 A 4 ILE H A 20 GLN HGy 1.0 1.8 5.67 205 190 A 4 ILE H A 20 GLN HGx 1.0 1.8 5.67 206 191 A 3 LEU H A 6 GLN HGx 1.0 1.8 6.13 207 191 A 3 LEU H A 6 GLN HGy 1.0 1.8 6.13 208 192 A 26 LEU HG A 27 PRO HDy 1.0 1.8 5.04 209 193 A 27 PRO HDy A 26 LEU HBx 1.0 1.8 5.50 210 194 A 8 CYS HBy A 15 ARG HA 1.0 1.8 5.50 211 195 A 17 CYS H A 3 LEU HG 1.0 1.8 5.50 212 196 A 17 CYS H A 3 LEU HBy 1.0 1.8 5.50 213 197 A 27 PRO HBx A 28 PHE HZ 1.0 1.8 5.50 214 198 A 17 CYS HA A 1 CYS HBx 1.0 1.8 4.06 215 199 A 8 CYS HBx A 15 ARG HA 1.0 1.8 4.38 216 200 A 4 ILE HA A 33 CYS HBx 1.0 1.8 2.62 217 201 A 24 VAL H A 25 PRO HDx 1.0 1.8 5.50 218 202 A 24 VAL H A 25 PRO HDy 1.0 1.8 5.50 219 203 A 9 ASP HBy A 14 PRO HDx 1.0 1.8 6.39 220 203 A 9 ASP HBy A 14 PRO HDy 1.0 1.8 6.39 221 204 A 9 ASP HBx A 14 PRO HDx 1.0 1.8 6.39 222 204 A 9 ASP HBx A 14 PRO HDy 1.0 1.8 6.39 223 205 A 8 CYS HBy A 14 PRO HDx 1.0 1.8 6.39 224 205 A 8 CYS HBy A 14 PRO HDy 1.0 1.8 6.39 225 206 A 17 CYS HBy A 3 LEU HBy 1.0 1.8 5.22 226 207 A 26 LEU HG A 27 PRO HDx 1.0 1.8 5.04 227 208 A 20 GLN HA A 4 ILE HG1x 1.0 1.8 6.01 228 208 A 20 GLN HA A 4 ILE HG1y 1.0 1.8 6.01 229 209 A 13 GLY HAy A 15 ARG HGy 1.0 1.8 5.38 230 210 A 13 GLY HAy A 15 ARG HGx 1.0 1.8 5.50 231 211 A 10 ASN HA A 15 ARG HGx 1.0 1.8 4.04 232 212 A 10 ASN HA A 15 ARG HGy 1.0 1.8 4.32 233 213 A 13 GLY HAx A 15 ARG HGx 1.0 1.8 5.50 234 214 A 13 GLY HAx A 15 ARG HGy 1.0 1.8 5.50 235 215 A 20 GLN HBx A 3 LEU HA 1.0 1.8 3.61 236 216 A 3 LEU HA A 20 GLN HGy 1.0 1.8 6.38 237 216 A 3 LEU HA A 20 GLN HGx 1.0 1.8 6.38 238 217 A 24 VAL HB A 25 PRO HDx 1.0 1.8 4.60 239 218 A 24 VAL HB A 25 PRO HDy 1.0 1.8 4.60 240 219 A 20 GLN HBy A 3 LEU HA 1.0 1.8 4.48 241 220 A 20 GLN HBy A 16 CYS HBy 1.0 1.8 4.69 242 221 A 3 LEU HBx A 6 GLN HGx 1.0 1.8 6.38 243 221 A 3 LEU HBx A 6 GLN HGy 1.0 1.8 6.38 244 222 A 3 LEU HBx A 2 VAL HB 1.0 1.8 5.50 245 223 A 3 LEU HBy A 6 GLN HBx 1.0 1.8 5.50 246 224 A 4 ILE HG1x A 20 GLN HGy 1.0 1.8 7.26 247 224 A 4 ILE HG1y A 20 GLN HGy 1.0 1.8 7.26 248 224 A 20 GLN HGx A 4 ILE HG1x 1.0 1.8 7.26 249 224 A 4 ILE HG1y A 20 GLN HGx 1.0 1.8 7.26 250 225 A 12 ARG HGx A 11 ASP HBx 1.0 1.8 6.38 251 225 A 11 ASP HBy A 12 ARG HGx 1.0 1.8 6.38 252 226 A 11 ASP HBx A 12 ARG HGy 1.0 1.8 6.38 253 226 A 11 ASP HBy A 12 ARG HGy 1.0 1.8 6.38 254 227 A 3 LEU HG A 6 GLN HGx 1.0 1.8 6.38 255 227 A 3 LEU HG A 6 GLN HGy 1.0 1.8 6.38 256 228 A 1 CYS HBy A 16 CYS HA 1.0 1.8 4.58 257 229 A 1 CYS HBy A 17 CYS H 1.0 1.8 4.96 258 230 A 34 ALA H A 4 ILE HG2% 1.0 1.8 6.30 259 231 A 5 GLY H A 4 ILE HG2% 1.0 1.8 4.69 260 232 A 28 PHE HE% A 29 LEU HDy% 1.0 1.8 8.65 261 233 A 28 PHE HD% A 29 LEU HDy% 1.0 1.8 8.65 262 234 A 17 CYS H A 2 VAL HGx% 1.0 1.8 6.52 263 235 A 17 CYS H A 2 VAL HGy% 1.0 1.8 5.71 264 236 A 17 CYS H A 3 LEU HDy% 1.0 1.8 6.52 265 237 A 24 VAL HGx% A 25 PRO HDx 1.0 1.8 6.52 266 238 A 24 VAL HGy% A 25 PRO HDx 1.0 1.8 6.52 267 239 A 25 PRO HDy A 24 VAL HGy% 1.0 1.8 6.52 268 240 A 24 VAL HGx% A 25 PRO HDy 1.0 1.8 6.52 269 241 A 5 GLY HAy A 32 VAL HGy% 1.0 1.8 5.22 270 242 A 4 ILE H A 3 LEU HDy% 1.0 1.8 6.43 271 243 A 3 LEU H A 2 VAL HGx% 1.0 1.8 5.06 272 244 A 26 LEU HDx% A 27 PRO HDx 1.0 1.8 7.07 273 244 A 26 LEU HDy% A 27 PRO HDx 1.0 1.8 7.07 274 245 A 27 PRO HDy A 26 LEU HDx% 1.0 1.8 7.07 275 245 A 26 LEU HDy% A 27 PRO HDy 1.0 1.8 7.07 276 246 A 9 ASP H A 2 VAL HGy% 1.0 1.8 6.52 277 247 A 24 VAL H A 34 ALA HB% 1.0 1.8 6.52 278 248 A 24 VAL HGx% A 22 ASN HBx 1.0 1.8 6.52 279 249 A 24 VAL HGx% A 22 ASN HBy 1.0 1.8 6.52 280 250 A 22 ASN HBx A 24 VAL HGy% 1.0 1.8 6.52 281 251 A 22 ASN HBy A 24 VAL HGy% 1.0 1.8 6.52 282 252 A 3 LEU HDy% A 2 VAL HA 1.0 1.8 6.52 283 253 A 33 CYS HA A 34 ALA HB% 1.0 1.8 6.02 284 254 A 34 ALA HB% A 24 VAL HB 1.0 1.8 5.65 285 255 A 24 VAL HB A 26 LEU HDx% 1.0 1.8 7.60 286 255 A 24 VAL HB A 26 LEU HDy% 1.0 1.8 7.60 287 256 A 2 VAL HGx% A 6 GLN H 1.0 1.8 6.52 288 257 A 2 VAL HGy% A 6 GLN H 1.0 1.8 6.52 289 258 A 2 VAL HGx% A 7 ARG H 1.0 1.8 6.52 290 259 A 2 VAL HGy% A 7 ARG H 1.0 1.8 6.52 291 260 A 8 CYS H A 2 VAL HGx% 1.0 1.8 6.52 292 261 A 8 CYS H A 2 VAL HGy% 1.0 1.8 6.52 293 262 A 2 VAL HGy% A 8 CYS HA 1.0 1.8 5.50 294 263 A 2 VAL HGy% A 16 CYS HA 1.0 1.8 4.63 295 264 A 14 PRO HA A 2 VAL HGy% 1.0 1.8 6.52 296 265 A 2 VAL HGy% A 15 ARG HA 1.0 1.8 6.52 297 266 A 2 VAL HGx% A 14 PRO HDx 1.0 1.8 7.41 298 266 A 2 VAL HGx% A 14 PRO HDy 1.0 1.8 7.41 299 267 A 2 VAL HGy% A 8 CYS HBx 1.0 1.8 5.46 300 268 A 2 VAL HGy% A 8 CYS HBy 1.0 1.8 4.69 301 269 A 2 VAL HGy% A 6 GLN HGx 1.0 1.8 7.40 302 269 A 2 VAL HGy% A 6 GLN HGy 1.0 1.8 7.40 303 270 A 2 VAL HGy% A 14 PRO HGx 1.0 1.8 5.06 304 271 A 2 VAL HGy% A 14 PRO HGy 1.0 1.8 5.06 305 272 A 2 VAL HGy% A 6 GLN HBy 1.0 1.8 5.43 306 273 A 17 CYS HBx A 3 LEU HDy% 1.0 1.8 6.52 307 274 A 17 CYS HBy A 3 LEU HDy% 1.0 1.8 6.52 308 275 A 3 LEU HDy% A 20 GLN HGy 1.0 1.8 7.40 309 275 A 3 LEU HDy% A 20 GLN HGx 1.0 1.8 7.40 310 276 A 3 LEU HDy% A 20 GLN HBy 1.0 1.8 5.43 311 277 A 20 GLN HBx A 3 LEU HDy% 1.0 1.8 4.69 312 278 A 7 ARG HA A 32 VAL HGx% 1.0 1.8 6.36 313 279 A 7 ARG HA A 32 VAL HGy% 1.0 1.8 6.36 314 280 A 5 GLY HAx A 32 VAL HGx% 1.0 1.8 5.53 315 281 A 5 GLY HAx A 32 VAL HGy% 1.0 1.8 5.53 316 282 A 5 GLY HAy A 32 VAL HGx% 1.0 1.8 5.22 317 283 A 14 PRO HA A 2 VAL HGx% 1.0 1.8 6.52 318 284 A 33 CYS HBx A 4 ILE HD1% 1.0 1.8 6.52 319 285 A 2 VAL HGx% A 14 PRO HGy 1.0 1.8 6.05 320 286 A 2 VAL HGx% A 14 PRO HGx 1.0 1.8 6.05 321 287 A 28 PHE HE% A 29 LEU HDx% 1.0 1.8 8.65 322 288 A 28 PHE HD% A 29 LEU HDx% 1.0 1.8 8.65 323 289 A 1 CYS HA A 14 PRO HBx 1.0 1.8 5.34 324 289 A 1 CYS HA A 14 PRO HBy 1.0 1.8 5.34 325 290 A 2 VAL H A 14 PRO HBx 1.0 1.8 5.34 326 290 A 2 VAL H A 14 PRO HBy 1.0 1.8 5.34 327 291 A 2 VAL HGx% A 14 PRO HBx 1.0 1.8 6.29 328 291 A 2 VAL HGx% A 14 PRO HBy 1.0 1.8 6.29 329 292 A 2 VAL HGx% A 14 PRO HGy 1.0 1.8 5.19 330 292 A 2 VAL HGx% A 14 PRO HGx 1.0 1.8 5.19 331 293 A 2 VAL HGy% A 14 PRO HBx 1.0 1.8 6.09 332 293 A 2 VAL HGy% A 14 PRO HBy 1.0 1.8 6.09 333 294 A 2 VAL HGy% A 14 PRO HGy 1.0 1.8 4.42 334 294 A 2 VAL HGy% A 14 PRO HGx 1.0 1.8 4.42 335 295 A 4 ILE HG2% A 21 GLY HAx 1.0 1.8 6.29 336 295 A 4 ILE HG2% A 21 GLY HAy 1.0 1.8 6.29 337 296 A 4 ILE HD1% A 21 GLY HAx 1.0 1.8 6.29 338 296 A 4 ILE HD1% A 21 GLY HAy 1.0 1.8 6.29 339 297 A 5 GLY H A 32 VAL HGy% 1.0 1.8 4.96 340 297 A 5 GLY H A 32 VAL HGx% 1.0 1.8 4.96 341 298 A 5 GLY HAy A 32 VAL HGy% 1.0 1.8 4.29 342 298 A 5 GLY HAy A 32 VAL HGx% 1.0 1.8 4.29 343 299 A 5 GLY HAx A 32 VAL HGy% 1.0 1.8 4.36 344 299 A 5 GLY HAx A 32 VAL HGx% 1.0 1.8 4.36 345 300 A 6 GLN H A 32 VAL HGy% 1.0 1.8 6.42 346 300 A 6 GLN H A 32 VAL HGx% 1.0 1.8 6.42 347 301 A 7 ARG H A 32 VAL HGy% 1.0 1.8 6.42 348 301 A 7 ARG H A 32 VAL HGx% 1.0 1.8 6.42 349 302 A 7 ARG HA A 32 VAL HGy% 1.0 1.8 4.90 350 302 A 7 ARG HA A 32 VAL HGx% 1.0 1.8 4.90 351 303 A 7 ARG HBx A 32 VAL HGy% 1.0 1.8 5.42 352 303 A 7 ARG HBy A 32 VAL HGy% 1.0 1.8 5.42 353 303 A 32 VAL HGx% A 7 ARG HBx 1.0 1.8 5.42 354 303 A 7 ARG HBy A 32 VAL HGx% 1.0 1.8 5.42 355 304 A 8 CYS H A 7 ARG HGx 1.0 1.8 3.70 356 304 A 8 CYS H A 7 ARG HGy 1.0 1.8 3.70 357 305 A 7 ARG HDy A 32 VAL HGy% 1.0 1.8 7.26 358 305 A 7 ARG HDx A 32 VAL HGy% 1.0 1.8 7.26 359 305 A 32 VAL HGx% A 7 ARG HDx 1.0 1.8 7.26 360 305 A 32 VAL HGx% A 7 ARG HDy 1.0 1.8 7.26 361 306 A 8 CYS H A 32 VAL HGy% 1.0 1.8 6.42 362 306 A 8 CYS H A 32 VAL HGx% 1.0 1.8 6.42 363 307 A 8 CYS HA A 14 PRO HBx 1.0 1.8 4.55 364 307 A 8 CYS HA A 14 PRO HBy 1.0 1.8 4.55 365 308 A 8 CYS HA A 14 PRO HGy 1.0 1.8 4.38 366 308 A 8 CYS HA A 14 PRO HGx 1.0 1.8 4.38 367 309 A 9 ASP H A 14 PRO HBx 1.0 1.8 5.34 368 309 A 9 ASP H A 14 PRO HBy 1.0 1.8 5.34 369 310 A 9 ASP H A 14 PRO HGy 1.0 1.8 4.83 370 310 A 9 ASP H A 14 PRO HGx 1.0 1.8 4.83 371 311 A 9 ASP HBx A 12 ARG HGy 1.0 1.8 5.34 372 311 A 9 ASP HBx A 12 ARG HGx 1.0 1.8 5.34 373 312 A 13 GLY HAy A 14 PRO HBx 1.0 1.8 5.09 374 312 A 13 GLY HAy A 14 PRO HBy 1.0 1.8 5.09 375 313 A 13 GLY HAx A 14 PRO HBx 1.0 1.8 4.94 376 313 A 13 GLY HAx A 14 PRO HBy 1.0 1.8 4.94 377 314 A 15 ARG H A 14 PRO HBx 1.0 1.8 3.97 378 314 A 15 ARG H A 14 PRO HBy 1.0 1.8 3.97 379 315 A 17 CYS H A 20 GLN HGy 1.0 1.8 4.24 380 315 A 17 CYS H A 20 GLN HGx 1.0 1.8 4.24 381 316 A 20 GLN HA A 19 GLY HAy 1.0 1.8 4.15 382 316 A 20 GLN HA A 19 GLY HAx 1.0 1.8 4.15 383 317 A 22 ASN HA A 21 GLY HAx 1.0 1.8 4.56 384 317 A 21 GLY HAy A 22 ASN HA 1.0 1.8 4.56 385 318 A 34 ALA H A 21 GLY HAx 1.0 1.8 3.75 386 318 A 34 ALA H A 21 GLY HAy 1.0 1.8 3.75 387 319 A 22 ASN HA A 24 VAL HGy% 1.0 1.8 6.42 388 319 A 22 ASN HA A 24 VAL HGx% 1.0 1.8 6.42 389 320 A 22 ASN HBx A 24 VAL HGy% 1.0 1.8 4.97 390 320 A 22 ASN HBy A 24 VAL HGy% 1.0 1.8 4.97 391 320 A 24 VAL HGx% A 22 ASN HBy 1.0 1.8 4.97 392 320 A 24 VAL HGx% A 22 ASN HBx 1.0 1.8 4.97 393 321 A 22 ASN HD2x A 24 VAL HGy% 1.0 1.8 6.18 394 321 A 22 ASN HD2y A 24 VAL HGy% 1.0 1.8 6.18 395 321 A 24 VAL HGx% A 22 ASN HD2y 1.0 1.8 6.18 396 321 A 24 VAL HGx% A 22 ASN HD2x 1.0 1.8 6.18 397 322 A 23 CYS HA A 24 VAL HGy% 1.0 1.8 6.42 398 322 A 23 CYS HA A 24 VAL HGx% 1.0 1.8 6.42 399 323 A 24 VAL HA A 25 PRO HDx 1.0 1.8 2.40 400 323 A 24 VAL HA A 25 PRO HDy 1.0 1.8 2.40 401 324 A 24 VAL HB A 25 PRO HDx 1.0 1.8 3.91 402 324 A 24 VAL HB A 25 PRO HDy 1.0 1.8 3.91 403 325 A 24 VAL HGy% A 25 PRO HDx 1.0 1.8 4.55 404 325 A 24 VAL HGx% A 25 PRO HDx 1.0 1.8 4.55 405 325 A 25 PRO HDy A 24 VAL HGy% 1.0 1.8 4.55 406 325 A 24 VAL HGx% A 25 PRO HDy 1.0 1.8 4.55 407 326 A 32 VAL H A 24 VAL HGy% 1.0 1.8 6.39 408 326 A 32 VAL H A 24 VAL HGx% 1.0 1.8 6.39 409 327 A 34 ALA H A 24 VAL HGy% 1.0 1.8 5.50 410 327 A 34 ALA H A 24 VAL HGx% 1.0 1.8 5.50 411 328 A 34 ALA HA A 24 VAL HGy% 1.0 1.8 6.42 412 328 A 24 VAL HGx% A 34 ALA HA 1.0 1.8 6.42 413 329 A 34 ALA HB% A 24 VAL HGy% 1.0 1.8 6.12 414 329 A 34 ALA HB% A 24 VAL HGx% 1.0 1.8 6.12 415 330 A 26 LEU H A 25 PRO HBx 1.0 1.8 3.71 416 330 A 26 LEU H A 25 PRO HBy 1.0 1.8 3.71 417 331 A 26 LEU H A 25 PRO HDx 1.0 1.8 4.96 418 331 A 26 LEU H A 25 PRO HDy 1.0 1.8 4.96 419 332 A 26 LEU H A 27 PRO HDx 1.0 1.8 5.35 420 332 A 26 LEU H A 27 PRO HDy 1.0 1.8 5.35 421 333 A 26 LEU HA A 27 PRO HDx 1.0 1.8 3.37 422 333 A 26 LEU HA A 27 PRO HDy 1.0 1.8 3.37 423 334 A 26 LEU HBx A 27 PRO HGx 1.0 1.8 5.02 424 334 A 26 LEU HBy A 27 PRO HGx 1.0 1.8 5.02 425 334 A 27 PRO HGy A 26 LEU HBx 1.0 1.8 5.02 426 334 A 26 LEU HBy A 27 PRO HGy 1.0 1.8 5.02 427 335 A 26 LEU HBx A 27 PRO HDx 1.0 1.8 4.15 428 335 A 26 LEU HBy A 27 PRO HDx 1.0 1.8 4.15 429 335 A 27 PRO HDy A 26 LEU HBx 1.0 1.8 4.15 430 335 A 27 PRO HDy A 26 LEU HBy 1.0 1.8 4.15 431 336 A 32 VAL H A 26 LEU HBx 1.0 1.8 5.34 432 336 A 32 VAL H A 26 LEU HBy 1.0 1.8 5.34 433 337 A 26 LEU HG A 27 PRO HDx 1.0 1.8 4.30 434 337 A 26 LEU HG A 27 PRO HDy 1.0 1.8 4.30 435 338 A 32 VAL H A 26 LEU HDx% 1.0 1.8 6.42 436 338 A 32 VAL H A 26 LEU HDy% 1.0 1.8 6.42 437 339 A 26 LEU HDx% A 27 PRO HDx 1.0 1.8 6.21 438 339 A 26 LEU HDy% A 27 PRO HDx 1.0 1.8 6.21 439 339 A 27 PRO HDy A 26 LEU HDx% 1.0 1.8 6.21 440 339 A 26 LEU HDy% A 27 PRO HDy 1.0 1.8 6.21 441 340 A 28 PHE HD% A 27 PRO HGx 1.0 1.8 7.32 442 340 A 28 PHE HD% A 27 PRO HGy 1.0 1.8 7.32 443 341 A 28 PHE HE% A 27 PRO HGx 1.0 1.8 7.32 444 341 A 28 PHE HE% A 27 PRO HGy 1.0 1.8 7.32 445 342 A 28 PHE H A 27 PRO HDx 1.0 1.8 4.96 446 342 A 28 PHE H A 27 PRO HDy 1.0 1.8 4.96 447 343 A 29 LEU H A 28 PHE HBy 1.0 1.8 3.55 448 343 A 29 LEU H A 28 PHE HBx 1.0 1.8 3.55 449 344 A 28 PHE HZ A 29 LEU HDy% 1.0 1.8 6.42 450 344 A 29 LEU HDx% A 28 PHE HZ 1.0 1.8 6.42 451 345 A 31 GLY H A 30 GLY HAx 1.0 1.8 2.83 452 345 A 31 GLY H A 30 GLY HAy 1.0 1.8 2.83 453 346 A 33 CYS H A 32 VAL HGy% 1.0 1.8 4.89 454 346 A 33 CYS H A 32 VAL HGx% 1.0 1.8 4.89 455 347 A 34 ALA H A 32 VAL HGy% 1.0 1.8 6.42 456 347 A 34 ALA H A 32 VAL HGx% 1.0 1.8 6.42 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 hbond _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 2 VAL H A 15 ARG O 1.0 1.8 2.3 2 2 A 15 ARG O A 2 VAL N 1.0 1.8 3.3 3 3 A 3 LEU H A 6 GLN OE1 1.0 1.8 2.3 4 4 A 6 GLN OE1 A 3 LEU N 1.0 1.8 3.3 5 5 A 4 ILE H A 20 GLN OE1 1.0 1.8 2.3 6 6 A 20 GLN OE1 A 4 ILE N 1.0 1.8 3.3 7 7 A 5 GLY H A 33 CYS O 1.0 1.8 2.3 8 8 A 33 CYS O A 5 GLY N 1.0 1.8 3.3 9 9 A 6 GLN H A 3 LEU O 1.0 1.8 2.3 10 10 A 3 LEU O A 6 GLN N 1.0 1.8 3.3 11 11 A 8 CYS H A 31 GLY O 1.0 1.8 2.3 12 12 A 31 GLY O A 8 CYS N 1.0 1.8 3.3 13 13 A 9 ASP H A 14 PRO O 1.0 1.8 2.3 14 14 A 14 PRO O A 9 ASP N 1.0 1.8 3.3 15 15 A 13 GLY H A 9 ASP O 1.0 1.8 2.3 16 16 A 9 ASP O A 13 GLY N 1.0 1.8 3.3 17 17 A 17 CYS H A 2 VAL O 1.0 1.8 2.3 18 18 A 2 VAL O A 17 CYS N 1.0 1.8 3.3 19 19 A 22 ASN H A 34 ALA O 1.0 1.8 2.3 20 20 A 34 ALA O A 22 ASN N 1.0 1.8 3.3 21 21 A 24 VAL H A 32 VAL O 1.0 1.8 2.3 22 22 A 32 VAL O A 24 VAL N 1.0 1.8 3.3 23 23 A 26 LEU H A 30 GLY O 1.0 1.8 2.3 24 24 A 30 GLY O A 26 LEU N 1.0 1.8 3.3 25 25 A 32 VAL H A 24 VAL O 1.0 1.8 2.3 26 26 A 24 VAL O A 32 VAL N 1.0 1.8 3.3 27 27 A 33 CYS H A 6 GLN O 1.0 1.8 2.3 28 28 A 6 GLN O A 33 CYS N 1.0 1.8 3.3 29 29 A 34 ALA H A 22 ASN O 1.0 1.8 2.3 30 30 A 22 ASN O A 34 ALA N 1.0 1.8 3.3 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 1 CYS C A 2 VAL N A 2 VAL CA A 2 VAL C 1.0 -150.0 -90.0 PHI 2 2 A 2 VAL C A 3 LEU N A 3 LEU CA A 3 LEU C 1.0 -136.0 -58.4 PHI 3 3 A 3 LEU N A 3 LEU CA A 3 LEU C A 4 ILE N 1.0 64.7 202.3 PSI 4 4 A 5 GLY C A 6 GLN N A 6 GLN CA A 6 GLN C 1.0 -153.4 -32.4 PHI 5 5 A 6 GLN N A 6 GLN CA A 6 GLN C A 7 ARG N 1.0 105.7 177.7 PSI 6 6 A 6 GLN C A 7 ARG N A 7 ARG CA A 7 ARG C 1.0 -145.9 -86.9 PHI 7 7 A 7 ARG N A 7 ARG CA A 7 ARG C A 8 CYS N 1.0 110.3 172.3 PSI 8 8 A 7 ARG C A 8 CYS N A 8 CYS CA A 8 CYS C 1.0 -165.8 -98.2 PHI 9 9 A 8 CYS N A 8 CYS CA A 8 CYS C A 9 ASP N 1.0 119.9 175.9 PSI 10 10 A 9 ASP N A 9 ASP CA A 9 ASP C A 10 ASN N 1.0 115.9 175.9 PSI 11 11 A 9 ASP C A 10 ASN N A 10 ASN CA A 10 ASN C 1.0 -78.8 -38.8 PHI 12 12 A 10 ASN N A 10 ASN CA A 10 ASN C A 11 ASP N 1.0 -51.0 -8.2 PSI 13 13 A 10 ASN C A 11 ASP N A 11 ASP CA A 11 ASP C 1.0 -91.1 -51.1 PHI 14 14 A 11 ASP N A 11 ASP CA A 11 ASP C A 12 ARG N 1.0 -56.5 15.7 PSI 15 15 A 11 ASP C A 12 ARG N A 12 ARG CA A 12 ARG C 1.0 -120.2 -57.8 PHI 16 16 A 12 ARG N A 12 ARG CA A 12 ARG C A 13 GLY N 1.0 -50.3 26.9 PSI 17 17 A 13 GLY C A 14 PRO N A 14 PRO CA A 14 PRO C 1.0 -89.7 -49.7 PHI 18 18 A 14 PRO N A 14 PRO CA A 14 PRO C A 15 ARG N 1.0 132.2 175.4 PSI 19 19 A 14 PRO C A 15 ARG N A 15 ARG CA A 15 ARG C 1.0 -166.6 -68.4 PHI 20 20 A 15 ARG N A 15 ARG CA A 15 ARG C A 16 CYS N 1.0 90.6 190.4 PSI 21 21 A 15 ARG C A 16 CYS N A 16 CYS CA A 16 CYS C 1.0 -180.0 -20.0 PHI 22 22 A 16 CYS C A 17 CYS N A 17 CYS CA A 17 CYS C 1.0 -134.2 -53.8 PHI 23 23 A 17 CYS N A 17 CYS CA A 17 CYS C A 18 SER N 1.0 53.6 187.4 PSI 24 24 A 17 CYS C A 18 SER N A 18 SER CA A 18 SER C 1.0 -87.1 -47.1 PHI 25 25 A 18 SER N A 18 SER CA A 18 SER C A 19 GLY N 1.0 -41.6 -1.6 PSI 26 26 A 19 GLY C A 20 GLN N A 20 GLN CA A 20 GLN C 1.0 -166.4 -73.2 PHI 27 27 A 21 GLY C A 22 ASN N A 22 ASN CA A 22 ASN C 1.0 -186.2 -82.6 PHI 28 28 A 22 ASN N A 22 ASN CA A 22 ASN C A 23 CYS N 1.0 110.1 196.9 PSI 29 29 A 22 ASN C A 23 CYS N A 23 CYS CA A 23 CYS C 1.0 -154.1 -52.7 PHI 30 30 A 23 CYS N A 23 CYS CA A 23 CYS C A 24 VAL N 1.0 98.3 153.9 PSI 31 31 A 23 CYS C A 24 VAL N A 24 VAL CA A 24 VAL C 1.0 -147.5 -66.5 PHI 32 32 A 24 VAL N A 24 VAL CA A 24 VAL C A 25 PRO N 1.0 106.7 155.3 PSI 33 33 A 24 VAL C A 25 PRO N A 25 PRO CA A 25 PRO C 1.0 -98.3 -43.7 PHI 34 34 A 25 PRO N A 25 PRO CA A 25 PRO C A 26 LEU N 1.0 121.9 175.3 PSI 35 35 A 25 PRO C A 26 LEU N A 26 LEU CA A 26 LEU C 1.0 -139.6 -47.6 PHI 36 36 A 26 LEU N A 26 LEU CA A 26 LEU C A 27 PRO N 1.0 74.4 196.8 PSI 37 37 A 27 PRO N A 27 PRO CA A 27 PRO C A 28 PHE N 1.0 -59.2 5.0 PSI 38 38 A 27 PRO C A 28 PHE N A 28 PHE CA A 28 PHE C 1.0 -150.0 -90.0 PHI 39 39 A 28 PHE N A 28 PHE CA A 28 PHE C A 29 LEU N 1.0 -48.4 -0.2 PSI 40 40 A 28 PHE C A 29 LEU N A 29 LEU CA A 29 LEU C 1.0 -106.3 -66.3 PHI 41 41 A 29 LEU N A 29 LEU CA A 29 LEU C A 30 GLY N 1.0 -45.2 0.2 PSI 42 42 A 31 GLY C A 32 VAL N A 32 VAL CA A 32 VAL C 1.0 -147.3 -107.3 PHI 43 43 A 32 VAL N A 32 VAL CA A 32 VAL C A 33 CYS N 1.0 124.4 172.8 PSI 44 44 A 33 CYS C A 34 ALA N A 34 ALA CA A 34 ALA C 1.0 -189.2 -65.6 PHI 45 45 A 34 ALA N A 34 ALA CA A 34 ALA C A 35 VAL N 1.0 126.9 172.5 PSI 46 46 A 1 CYS N A 1 CYS CA A 1 CYS CB A 1 CYS SG 1.0 -210.0 90.0 CHI1 47 47 A 1 CYS N A 1 CYS CA A 1 CYS CB A 1 CYS SG 1.0 -90.0 210.0 CHI1 48 48 A 1 CYS N A 1 CYS CA A 1 CYS CB A 1 CYS SG 1.0 -330.0 -30.0 CHI1 49 49 A 6 GLN N A 6 GLN CA A 6 GLN CB A 6 GLN CG 1.0 -90.0 -30.0 CHI1 50 50 A 7 ARG N A 7 ARG CA A 7 ARG CB A 7 ARG CG 1.0 -210.0 90.0 CHI1 51 51 A 7 ARG N A 7 ARG CA A 7 ARG CB A 7 ARG CG 1.0 -90.0 210.0 CHI1 52 52 A 7 ARG N A 7 ARG CA A 7 ARG CB A 7 ARG CG 1.0 -330.0 -30.0 CHI1 53 53 A 9 ASP N A 9 ASP CA A 9 ASP CB A 9 ASP CG 1.0 -210.0 -150.0 CHI1 54 54 A 10 ASN N A 10 ASN CA A 10 ASN CB A 10 ASN CG 1.0 -90.0 -30.0 CHI1 55 55 A 12 ARG N A 12 ARG CA A 12 ARG CB A 12 ARG CG 1.0 -90.0 -30.0 CHI1 56 56 A 16 CYS N A 16 CYS CA A 16 CYS CB A 16 CYS SG 1.0 -90.0 -30.0 CHI1 57 57 A 17 CYS N A 17 CYS CA A 17 CYS CB A 17 CYS SG 1.0 -90.0 -30.0 CHI1 58 58 A 18 SER N A 18 SER CA A 18 SER CB A 18 SER OG 1.0 -210.0 90.0 CHI1 59 59 A 18 SER N A 18 SER CA A 18 SER CB A 18 SER OG 1.0 -90.0 210.0 CHI1 60 60 A 18 SER N A 18 SER CA A 18 SER CB A 18 SER OG 1.0 -330.0 -30.0 CHI1 61 61 A 20 GLN N A 20 GLN CA A 20 GLN CB A 20 GLN CG 1.0 -90.0 -30.0 CHI1 62 62 A 28 PHE N A 28 PHE CA A 28 PHE CB A 28 PHE CG 1.0 -210.0 90.0 CHI1 63 63 A 28 PHE N A 28 PHE CA A 28 PHE CB A 28 PHE CG 1.0 -90.0 210.0 CHI1 64 64 A 28 PHE N A 28 PHE CA A 28 PHE CB A 28 PHE CG 1.0 -330.0 -30.0 CHI1 65 65 A 29 LEU N A 29 LEU CA A 29 LEU CB A 29 LEU CG 1.0 -210.0 90.0 CHI1 66 66 A 29 LEU N A 29 LEU CA A 29 LEU CB A 29 LEU CG 1.0 -90.0 210.0 CHI1 67 67 A 29 LEU N A 29 LEU CA A 29 LEU CB A 29 LEU CG 1.0 -330.0 -30.0 CHI1 68 68 A 33 CYS N A 33 CYS CA A 33 CYS CB A 33 CYS SG 1.0 -90.0 -30.0 CHI1 stop_ save_