data_nef_c30032_5ion 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 5ION 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 6 CYS SG 2 1 ZN ZN 1 9 CYS SG 2 1 ZN ZN 1 11 ASP OD2 2 1 ZN ZN 1 22 HIS NE2 2 1 ZN ZN 1 26 HIS NE2 2 1 ZN ZN stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 HIS start . . 2 A 2 ILE middle . . 3 A 3 LEU middle . . 4 A 4 TYR middle . . 5 A 5 ALA middle . . 6 A 6 CYS middle -HG . 7 A 7 ASP middle . . 8 A 8 SER middle . . 9 A 9 CYS middle -HG . 10 A 10 GLY middle . false 11 A 11 ASP middle . . 12 A 12 LYS middle . . 13 A 13 PHE middle . . 14 A 14 LEU middle . . 15 A 15 ASP middle . . 16 A 16 ALA middle . . 17 A 17 ASN middle . . 18 A 18 SER middle . . 19 A 19 LEU middle . . 20 A 20 ALA middle . . 21 A 21 GLN middle . . 22 A 22 HIS middle -HE2 . 23 A 23 VAL middle . . 24 A 24 ARG middle . . 25 A 25 ILE middle . . 26 A 26 HIS middle -HE2 . 27 A 27 THR middle . . 28 A 28 ALA middle . . 29 A 29 GLN end . . 30 B 1 ZN . . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 2 ILE H H 1 7.806 0.003 A 2 ILE HA H 1 3.871 0.002 A 2 ILE HB H 1 1.505 0.009 A 2 ILE HD1% H 1 0.638 0.007 A 2 ILE HG1x H 1 0.869 0.006 A 2 ILE HG1y H 1 1.231 0.006 A 2 ILE HG2% H 1 0.390 0.008 A 2 ILE CB C 13 38.604 . A 2 ILE CD1 C 13 12.658 . A 2 ILE CG1 C 13 26.965 0.353 A 2 ILE CG2 C 13 17.093 . A 3 LEU H H 1 9.013 0.004 A 3 LEU HA H 1 4.425 0.006 A 3 LEU HB2 H 1 1.665 0.003 A 3 LEU HB3 H 1 1.665 0.003 A 3 LEU HDx% H 1 0.736 0.008 A 3 LEU HDy% H 1 0.792 0.009 A 3 LEU HG H 1 1.608 0.01 A 3 LEU CB C 13 42.471 . A 3 LEU CDx C 13 23.144 . A 3 LEU CDy C 13 25.069 . A 3 LEU CG C 13 27.386 . A 3 LEU N N 15 119.128 . A 4 TYR H H 1 8.584 0.009 A 4 TYR HA H 1 4.334 0.011 A 4 TYR HBy H 1 2.703 0.008 A 4 TYR HBx H 1 2.598 0.007 A 4 TYR HD1 H 1 6.799 0.008 A 4 TYR HD2 H 1 6.799 0.008 A 4 TYR HE1 H 1 6.618 0.008 A 4 TYR HE2 H 1 6.618 0.008 A 4 TYR CB C 13 38.793 . A 4 TYR CD1 C 13 132.704 . A 4 TYR CD2 C 13 132.704 . A 4 TYR CE1 C 13 117.871 . A 4 TYR CE2 C 13 117.871 . A 5 ALA H H 1 8.477 0.003 A 5 ALA HA H 1 4.989 0.004 A 5 ALA HB% H 1 1.070 0.009 A 5 ALA N N 15 125.605 . A 6 CYS H H 1 8.818 0.002 A 6 CYS HA H 1 4.338 0.011 A 6 CYS HBy H 1 3.198 0.007 A 6 CYS HBx H 1 2.642 0.011 A 6 CYS CB C 13 29.561 0.069 A 6 CYS N N 15 123.747 . A 7 ASP H H 1 9.029 0.001 A 7 ASP HA H 1 4.356 0.011 A 7 ASP HB2 H 1 2.608 0.006 A 7 ASP HB3 H 1 2.608 0.006 A 7 ASP CB C 13 40.949 . A 7 ASP N N 15 130.789 . A 8 SER HA H 1 3.617 0.003 A 8 SER HBy H 1 3.491 0.007 A 8 SER HBx H 1 3.400 0.008 A 9 CYS H H 1 8.030 0.006 A 9 CYS HA H 1 4.936 0.004 A 9 CYS HBy H 1 3.232 0.012 A 9 CYS HBx H 1 2.701 0.008 A 9 CYS CB C 13 32.276 0.017 A 10 GLY H H 1 7.928 0.004 A 10 GLY HAy H 1 4.061 0.011 A 10 GLY HAx H 1 3.782 0.011 A 10 GLY CA C 13 46.046 0.131 A 10 GLY N N 15 111.529 . A 11 ASP H H 1 8.197 0.005 A 11 ASP HA H 1 4.189 0.008 A 11 ASP HBy H 1 2.062 0.008 A 11 ASP HBx H 1 1.901 0.01 A 11 ASP CA C 13 55.887 . A 11 ASP CB C 13 40.842 0.052 A 11 ASP N N 15 124.473 . A 12 LYS H H 1 7.593 0.003 A 12 LYS HA H 1 4.746 0.005 A 12 LYS HBy H 1 1.431 0.012 A 12 LYS HBx H 1 1.369 . A 12 LYS HDx H 1 1.342 0.01 A 12 LYS HDy H 1 1.378 0.051 A 12 LYS HE2 H 1 2.776 0.006 A 12 LYS HE3 H 1 2.776 0.006 A 12 LYS HG2 H 1 1.119 0.008 A 12 LYS HG3 H 1 1.119 0.008 A 12 LYS CB C 13 35.706 0.004 A 12 LYS CD C 13 29.054 0.001 A 12 LYS CE C 13 42.125 . A 12 LYS CG C 13 24.976 . A 12 LYS N N 15 117.086 . A 13 PHE H H 1 8.540 0.005 A 13 PHE HA H 1 4.496 0.007 A 13 PHE HBy H 1 3.249 0.007 A 13 PHE HBx H 1 2.534 0.004 A 13 PHE HD1 H 1 7.007 0.005 A 13 PHE HD2 H 1 7.007 0.005 A 13 PHE HE1 H 1 6.639 0.006 A 13 PHE HE2 H 1 6.639 0.006 A 13 PHE HZ H 1 6.228 0.009 A 13 PHE CB C 13 43.526 . A 13 PHE CD1 C 13 131.945 . A 13 PHE CD2 C 13 131.945 . A 13 PHE CE1 C 13 130.681 . A 13 PHE CE2 C 13 130.681 . A 13 PHE CZ C 13 129.305 . A 13 PHE N N 15 118.038 . A 14 LEU H H 1 8.013 0.009 A 14 LEU HA H 1 4.125 0.009 A 14 LEU HBy H 1 2.012 0.003 A 14 LEU HBx H 1 1.861 0.007 A 14 LEU HG H 1 2.258 0.005 A 14 LEU CA C 13 55.718 . A 14 LEU CB C 13 29.206 0.194 A 14 LEU CG C 13 18.506 . A 15 ASP H H 1 8.895 0.003 A 15 ASP HA H 1 4.264 0.004 A 15 ASP HBy H 1 3.003 0.009 A 15 ASP HBx H 1 2.887 0.007 A 15 ASP CA C 13 56.098 . A 15 ASP N N 15 116.928 . A 16 ALA H H 1 8.029 0.004 A 16 ALA HA H 1 3.152 0.006 A 16 ALA HB% H 1 0.994 0.005 A 16 ALA CA C 13 54.332 . A 16 ALA CB C 13 18.288 . A 17 ASN H H 1 8.354 0.001 A 17 ASN HA H 1 4.240 0.009 A 17 ASN HBx H 1 2.575 0.012 A 17 ASN HBy H 1 2.634 0.008 A 17 ASN CB C 13 38.024 0.019 A 17 ASN N N 15 119.199 . A 18 SER H H 1 8.603 0.005 A 18 SER HA H 1 3.917 0.005 A 18 SER HB2 H 1 3.790 0.006 A 18 SER HB3 H 1 3.790 0.006 A 18 SER CA C 13 61.878 . A 18 SER N N 15 118.422 . A 19 LEU H H 1 6.794 0.004 A 19 LEU HA H 1 3.069 0.007 A 19 LEU HBx H 1 1.448 0.009 A 19 LEU HBy H 1 1.626 0.005 A 19 LEU HDx% H 1 0.734 0.003 A 19 LEU HDy% H 1 0.859 0.004 A 19 LEU HG H 1 1.105 0.003 A 19 LEU CA C 13 57.822 . A 19 LEU N N 15 122.785 . A 20 ALA H H 1 7.735 0.006 A 20 ALA HA H 1 3.911 0.005 A 20 ALA HB% H 1 1.297 0.006 A 20 ALA CA C 13 54.952 . A 20 ALA CB C 13 17.838 . A 20 ALA N N 15 120.848 . A 21 GLN H H 1 7.634 0.004 A 21 GLN HA H 1 3.796 0.006 A 21 GLN HB2 H 1 2.252 0.006 A 21 GLN HB3 H 1 2.252 0.006 A 21 GLN HE21 H 1 7.611 0.003 A 21 GLN HE22 H 1 6.788 0.003 A 21 GLN HGy H 1 1.895 0.006 A 21 GLN HGx H 1 1.857 0.003 A 21 GLN CA C 13 58.007 . A 21 GLN CB C 13 31.363 . A 21 GLN N N 15 115.159 . A 21 GLN NE2 N 15 113.881 0.022 A 22 HIS H H 1 7.293 0.004 A 22 HIS HA H 1 4.035 0.009 A 22 HIS HBy H 1 2.918 0.01 A 22 HIS HBx H 1 2.600 0.009 A 22 HIS HD2 H 1 6.798 0.006 A 22 HIS HE1 H 1 7.901 0.006 A 22 HIS CA C 13 59.487 . A 22 HIS CB C 13 28.542 0.005 A 22 HIS CD2 C 13 126.951 . A 22 HIS N N 15 119.329 . A 23 VAL H H 1 8.246 0.004 A 23 VAL HA H 1 3.467 0.007 A 23 VAL HB H 1 2.225 0.006 A 23 VAL HGx% H 1 1.168 0.005 A 23 VAL HGy% H 1 1.061 0.008 A 23 VAL CA C 13 65.937 . A 23 VAL CG1 C 13 21.886 . A 23 VAL N N 15 113.369 . A 24 ARG H H 1 6.829 0.006 A 24 ARG HA H 1 3.931 0.007 A 24 ARG HBy H 1 1.710 0.017 A 24 ARG HBx H 1 1.638 0.011 A 24 ARG HD2 H 1 3.057 0.006 A 24 ARG HD3 H 1 3.057 0.006 A 24 ARG HG2 H 1 1.498 0.006 A 24 ARG HG3 H 1 1.498 0.006 A 24 ARG CA C 13 58.532 . A 24 ARG CB C 13 30.043 0.045 A 24 ARG CD C 13 43.396 . A 24 ARG CG C 13 27.312 . A 24 ARG N N 15 118.587 . A 25 ILE H H 1 7.688 0.005 A 25 ILE HA H 1 3.799 0.011 A 25 ILE HB H 1 1.562 0.006 A 25 ILE HD1% H 1 0.534 0.008 A 25 ILE HG1y H 1 0.768 0.004 A 25 ILE HG1x H 1 0.621 0.008 A 25 ILE HG2% H 1 0.445 0.008 A 25 ILE CA C 13 62.615 . A 25 ILE CB C 13 37.691 . A 25 ILE CD1 C 13 14.075 . A 25 ILE CG1 C 13 24.701 . A 25 ILE CG2 C 13 16.422 . A 25 ILE N N 15 116.323 . A 26 HIS H H 1 7.164 0.003 A 26 HIS HBy H 1 3.145 0.012 A 26 HIS HBx H 1 3.123 0.007 A 26 HIS HD2 H 1 6.638 0.007 A 26 HIS HE1 H 1 7.872 0.008 A 26 HIS CB C 13 28.338 . A 26 HIS CD2 C 13 127.417 . A 26 HIS N N 15 117.565 . A 27 THR H H 1 7.625 0.002 A 27 THR HA H 1 4.152 0.007 A 27 THR HB H 1 4.127 0.006 A 27 THR HG2% H 1 1.083 0.005 A 27 THR CA C 13 62.452 . A 27 THR CB C 13 69.619 . A 27 THR CG2 C 13 21.492 . A 27 THR N N 15 113.024 . A 28 ALA H H 1 8.014 0.003 A 28 ALA HA H 1 4.158 0.009 A 28 ALA HB% H 1 1.272 0.007 A 28 ALA CA C 13 52.854 . A 28 ALA CB C 13 18.695 . A 29 GLN H H 1 7.311 0.007 A 29 GLN HA H 1 4.352 0.012 A 29 GLN HB2 H 1 2.566 0.003 A 29 GLN HB3 H 1 2.565 0.003 A 29 GLN HG2 H 1 2.643 0.012 A 29 GLN HG3 H 1 2.643 0.012 A 29 GLN CB C 13 43.649 . A 29 GLN CG C 13 43.555 . A 29 GLN N N 15 113.145 . 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 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 22 HIS H A 24 ARG HBx 1.0 1.8 4.2 2 1 A 22 HIS H A 19 LEU HBy 1.0 1.8 4.2 3 2 A 16 ALA HA A 19 LEU H 1.0 1.8 3.7 4 2 A 16 ALA HA A 4 TYR HD2 1.0 1.8 3.7 5 2 A 4 TYR HD1 A 16 ALA HA 1.0 1.8 3.7 6 3 A 19 LEU H A 20 ALA HA 1.0 1.8 4.4 7 3 A 19 LEU H A 18 SER HA 1.0 1.8 4.4 8 4 A 22 HIS H A 21 GLN HGy 1.0 1.8 4.7 9 4 A 22 HIS H A 21 GLN HGx 1.0 1.8 4.7 10 5 A 26 HIS H A 26 HIS HBy 1.0 1.8 3.8 11 5 A 26 HIS H A 26 HIS HBx 1.0 1.8 3.8 12 6 A 13 PHE HE1 A 22 HIS HBx 1.0 1.8 4.3 13 6 A 13 PHE HE2 A 22 HIS HBx 1.0 1.8 4.3 14 6 A 4 TYR HBy A 13 PHE HE2 1.0 1.8 4.3 15 6 A 4 TYR HBy A 13 PHE HE1 1.0 1.8 4.3 16 7 A 22 HIS H A 21 GLN HA 1.0 1.8 4.1 17 7 A 22 HIS H A 18 SER HB2 1.0 1.8 4.1 18 7 A 22 HIS H A 18 SER HB3 1.0 1.8 4.1 19 8 A 10 GLY H A 9 CYS HBy 1.0 1.8 4.8 20 8 A 6 CYS HBy A 10 GLY H 1.0 1.8 4.8 21 9 A 26 HIS HBy A 26 HIS HD2 1.0 1.8 3.5 22 9 A 26 HIS HBx A 26 HIS HD2 1.0 1.8 3.5 23 10 A 24 ARG H A 24 ARG HG2 1.0 1.8 4.6 24 10 A 24 ARG HG3 A 24 ARG H 1.0 1.8 4.6 25 11 A 19 LEU H A 16 ALA HB% 1.0 1.8 4.8 26 11 A 4 TYR HD2 A 16 ALA HB% 1.0 1.8 4.8 27 11 A 4 TYR HD1 A 16 ALA HB% 1.0 1.8 4.8 28 12 A 19 LEU H A 16 ALA HB% 1.0 1.8 4.2 29 12 A 4 TYR HD2 A 16 ALA HB% 1.0 1.8 4.2 30 12 A 4 TYR HD1 A 16 ALA HB% 1.0 1.8 4.2 31 13 A 10 GLY H A 9 CYS HBy 1.0 1.8 4.1 32 13 A 6 CYS HBy A 10 GLY H 1.0 1.8 4.1 33 14 A 16 ALA HA A 19 LEU H 1.0 1.8 4.3 34 14 A 16 ALA HA A 4 TYR HD2 1.0 1.8 4.3 35 14 A 4 TYR HD1 A 16 ALA HA 1.0 1.8 4.3 36 15 A 18 SER HB2 A 13 PHE HBx 1.0 1.8 4.0 37 15 A 18 SER HB3 A 13 PHE HBx 1.0 1.8 4.0 38 16 A 22 HIS HBx A 26 HIS HD2 1.0 1.8 4.6 39 16 A 13 PHE HE2 A 22 HIS HBx 1.0 1.8 4.6 40 16 A 13 PHE HE1 A 22 HIS HBx 1.0 1.8 4.6 41 17 A 24 ARG HG2 A 24 ARG HD2 1.0 1.8 4.7 42 17 A 24 ARG HG2 A 24 ARG HD3 1.0 1.8 4.7 43 17 A 24 ARG HG3 A 24 ARG HD2 1.0 1.8 4.7 44 17 A 24 ARG HG3 A 24 ARG HD3 1.0 1.8 4.7 45 18 A 15 ASP H A 14 LEU H 1.0 1.8 4.1 46 19 A 15 ASP H A 14 LEU H 1.0 1.8 4.0 47 20 A 5 ALA HB% A 5 ALA HA 1.0 1.8 4.0 48 21 A 5 ALA HB% A 12 LYS HA 1.0 1.8 4.4 49 22 A 12 LYS HA A 12 LYS HDx 1.0 1.8 4.1 50 23 A 12 LYS HA A 12 LYS HBy 1.0 1.8 4.7 51 24 A 5 ALA HA A 12 LYS HDx 1.0 1.8 4.9 52 25 A 3 LEU HG A 3 LEU HA 1.0 1.8 4.1 53 26 A 19 LEU HDx% A 6 CYS HA 1.0 1.8 4.4 54 27 A 4 TYR HBx A 4 TYR HA 1.0 1.8 4.2 55 28 A 24 ARG HD2 A 24 ARG HBy 1.0 1.8 4.3 56 28 A 24 ARG HD3 A 24 ARG HBy 1.0 1.8 4.3 57 29 A 19 LEU HBy A 19 LEU HA 1.0 1.8 3.8 58 30 A 19 LEU HA A 19 LEU HBx 1.0 1.8 4.3 59 31 A 24 ARG HBx A 24 ARG HD2 1.0 1.8 4.1 60 31 A 24 ARG HBx A 24 ARG HD3 1.0 1.8 4.1 61 32 A 19 LEU HDy% A 19 LEU HG 1.0 1.8 3.7 62 33 A 3 LEU HG A 3 LEU HDx% 1.0 1.8 3.4 63 34 A 13 PHE HA A 13 PHE HD2 1.0 1.8 4.1 64 34 A 13 PHE HD1 A 13 PHE HA 1.0 1.8 4.1 65 35 A 12 LYS HA A 13 PHE HD2 1.0 1.8 4.4 66 35 A 12 LYS HA A 13 PHE HD1 1.0 1.8 4.4 67 36 A 5 ALA HA A 13 PHE HD2 1.0 1.8 4.7 68 36 A 5 ALA HA A 13 PHE HD1 1.0 1.8 4.7 69 37 A 26 HIS H A 25 ILE H 1.0 1.8 4.0 70 38 A 19 LEU HA A 19 LEU HDy% 1.0 1.8 3.7 71 39 A 26 HIS H A 25 ILE H 1.0 1.8 3.8 72 40 A 24 ARG H A 23 VAL H 1.0 1.8 3.8 73 41 A 25 ILE H A 25 ILE HG2% 1.0 1.8 4.4 74 42 A 24 ARG H A 24 ARG HBy 1.0 1.8 4.1 75 43 A 11 ASP HA A 11 ASP HBy 1.0 1.8 4.0 76 44 A 8 SER HA A 8 SER HBx 1.0 1.8 3.8 77 45 A 19 LEU HG A 13 PHE HD2 1.0 1.8 4.4 78 45 A 19 LEU HG A 13 PHE HD1 1.0 1.8 4.4 79 46 A 17 ASN HA A 17 ASN HBy 1.0 1.8 3.5 80 47 A 22 HIS H A 23 VAL H 1.0 1.8 4.0 81 48 A 17 ASN HBy A 16 ALA H 1.0 1.8 4.3 82 49 A 4 TYR HA A 5 ALA H 1.0 1.8 3.7 83 50 A 16 ALA H A 15 ASP HBy 1.0 1.8 4.7 84 51 A 24 ARG HBy A 24 ARG HA 1.0 1.8 3.4 85 52 A 14 LEU HA A 14 LEU HBx 1.0 1.8 4.4 86 53 A 9 CYS HA A 9 CYS HBx 1.0 1.8 3.8 87 54 A 22 HIS H A 21 GLN H 1.0 1.8 3.7 88 55 A 13 PHE HBx A 13 PHE HD2 1.0 1.8 3.7 89 55 A 13 PHE HBx A 13 PHE HD1 1.0 1.8 3.7 90 56 A 20 ALA HA A 23 VAL HGy% 1.0 1.8 3.6 91 57 A 17 ASN HA A 20 ALA HB% 1.0 1.8 3.7 92 58 A 20 ALA HA A 23 VAL HGx% 1.0 1.8 4.6 93 59 A 17 ASN HA A 20 ALA HB% 1.0 1.8 3.5 94 60 A 20 ALA HA A 23 VAL HGy% 1.0 1.8 3.6 95 61 A 23 VAL H A 23 VAL HGy% 1.0 1.8 3.5 96 62 A 20 ALA HA A 23 VAL HGx% 1.0 1.8 4.2 97 63 A 11 ASP H A 10 GLY HAx 1.0 1.8 4.7 98 64 A 26 HIS HD2 A 23 VAL HA 1.0 1.8 3.4 99 65 A 28 ALA HA A 28 ALA HB% 1.0 1.8 3.6 100 66 A 18 SER HA A 21 GLN HGy 1.0 1.8 3.8 101 67 A 18 SER HA A 21 GLN HGx 1.0 1.8 4.4 102 68 A 22 HIS H A 21 GLN HA 1.0 1.8 4.1 103 69 A 13 PHE HE2 A 6 CYS HBx 1.0 1.8 4.1 104 69 A 13 PHE HE1 A 6 CYS HBx 1.0 1.8 4.1 105 70 A 6 CYS HBx A 22 HIS HD2 1.0 1.8 3.1 106 71 A 22 HIS HD2 A 22 HIS HBy 1.0 1.8 4.0 107 72 A 24 ARG H A 24 ARG HD2 1.0 1.8 4.6 108 72 A 24 ARG H A 24 ARG HD3 1.0 1.8 4.6 109 73 A 19 LEU H A 19 LEU HA 1.0 1.8 3.8 110 74 A 22 HIS HD2 A 25 ILE HG1y 1.0 1.8 4.7 111 75 A 18 SER HA A 21 GLN HGx 1.0 1.8 3.4 112 76 A 22 HIS H A 22 HIS HA 1.0 1.8 4.1 113 77 A 12 LYS H A 11 ASP HBx 1.0 1.8 4.1 114 78 A 13 PHE HBy A 13 PHE H 1.0 1.8 4.4 115 79 A 24 ARG H A 24 ARG HA 1.0 1.8 3.8 116 80 A 4 TYR HD2 A 4 TYR HBx 1.0 1.8 3.8 117 80 A 4 TYR HD1 A 4 TYR HBx 1.0 1.8 3.8 118 81 A 26 HIS H A 23 VAL HA 1.0 1.8 4.8 119 82 A 25 ILE H A 25 ILE HD1% 1.0 1.8 4.7 120 83 A 19 LEU HBy A 16 ALA HA 1.0 1.8 4.0 121 84 A 16 ALA H A 15 ASP HBy 1.0 1.8 4.3 122 85 A 18 SER HB2 A 18 SER H 1.0 1.8 3.8 123 85 A 18 SER HB3 A 18 SER H 1.0 1.8 3.8 124 86 A 24 ARG H A 23 VAL H 1.0 1.8 3.7 125 87 A 22 HIS H A 22 HIS HBx 1.0 1.8 3.6 126 88 A 5 ALA HB% A 5 ALA H 1.0 1.8 4.3 127 89 A 23 VAL HGy% A 22 HIS HD2 1.0 1.8 3.5 128 90 A 5 ALA HA A 6 CYS H 1.0 1.8 3.7 129 91 A 20 ALA HA A 20 ALA H 1.0 1.8 3.7 130 92 A 10 GLY H A 11 ASP H 1.0 1.8 4.3 131 93 A 13 PHE HE2 A 11 ASP HBx 1.0 1.8 4.9 132 93 A 13 PHE HE1 A 11 ASP HBx 1.0 1.8 4.9 133 94 A 18 SER HB2 A 13 PHE HD2 1.0 1.8 4.1 134 94 A 18 SER HB2 A 13 PHE HD1 1.0 1.8 4.1 135 94 A 18 SER HB3 A 13 PHE HD2 1.0 1.8 4.1 136 94 A 18 SER HB3 A 13 PHE HD1 1.0 1.8 4.1 137 95 A 26 HIS HE1 A 25 ILE HG1x 1.0 1.8 4.8 138 96 A 24 ARG H A 23 VAL HGx% 1.0 1.8 4.6 139 97 A 6 CYS HA A 22 HIS HD2 1.0 1.8 4.2 140 98 A 19 LEU HG A 20 ALA H 1.0 1.8 4.6 141 99 A 6 CYS HBy A 19 LEU HDy% 1.0 1.8 4.8 142 100 A 13 PHE HE2 A 22 HIS HBy 1.0 1.8 4.8 143 100 A 13 PHE HE1 A 22 HIS HBy 1.0 1.8 4.8 144 101 A 15 ASP H A 15 ASP HA 1.0 1.8 4.7 145 102 A 25 ILE HG1x A 25 ILE HA 1.0 1.8 3.5 146 103 A 26 HIS HD2 A 23 VAL HGy% 1.0 1.8 4.1 147 104 A 6 CYS HA A 6 CYS H 1.0 1.8 4.7 148 105 A 25 ILE H A 25 ILE HG1x 1.0 1.8 3.8 149 106 A 6 CYS HBy A 11 ASP H 1.0 1.8 4.1 150 107 A 22 HIS HBx A 13 PHE HZ 1.0 1.8 4.8 151 108 A 4 TYR HBy A 4 TYR H 1.0 1.8 4.3 152 109 A 18 SER HB2 A 18 SER H 1.0 1.8 4.1 153 109 A 18 SER HB3 A 18 SER H 1.0 1.8 4.1 154 110 A 15 ASP H A 15 ASP HBx 1.0 1.8 4.7 155 111 A 19 LEU HA A 20 ALA H 1.0 1.8 4.7 156 112 A 26 HIS HBx A 26 HIS HD2 1.0 1.8 4.2 157 113 A 13 PHE HE2 A 18 SER HB3 1.0 1.8 4.7 158 113 A 13 PHE HE2 A 18 SER HB2 1.0 1.8 4.7 159 113 A 13 PHE HE1 A 18 SER HB2 1.0 1.8 4.7 160 113 A 13 PHE HE1 A 18 SER HB3 1.0 1.8 4.7 161 114 A 23 VAL HA A 22 HIS HD2 1.0 1.8 3.8 162 115 A 22 HIS HBx A 23 VAL H 1.0 1.8 4.4 163 116 A 18 SER HA A 21 GLN HGy 1.0 1.8 4.6 164 117 A 11 ASP HBx A 13 PHE HZ 1.0 1.8 4.9 165 118 A 13 PHE HD2 A 13 PHE HBy 1.0 1.8 3.8 166 118 A 13 PHE HD1 A 13 PHE HBy 1.0 1.8 3.8 167 119 A 10 GLY H A 11 ASP H 1.0 1.8 4.2 168 120 A 25 ILE HG2% A 25 ILE HA 1.0 1.8 4.3 169 121 A 25 ILE H A 25 ILE HG1y 1.0 1.8 4.6 170 122 A 22 HIS H A 19 LEU HA 1.0 1.8 4.3 171 123 A 23 VAL HGx% A 23 VAL HA 1.0 1.8 3.6 172 124 A 11 ASP H A 11 ASP HBx 1.0 1.8 4.3 173 125 A 13 PHE HE2 A 13 PHE HD2 1.0 1.8 3.0 174 125 A 13 PHE HE1 A 13 PHE HD2 1.0 1.8 3.0 175 125 A 13 PHE HE2 A 13 PHE HD1 1.0 1.8 3.0 176 125 A 13 PHE HE1 A 13 PHE HD1 1.0 1.8 3.0 177 126 A 22 HIS H A 21 GLN H 1.0 1.8 3.8 178 127 A 4 TYR HBy A 13 PHE HD2 1.0 1.8 4.8 179 127 A 4 TYR HBy A 13 PHE HD1 1.0 1.8 4.8 180 128 A 19 LEU HA A 19 LEU HG 1.0 1.8 3.8 181 129 A 26 HIS HD2 A 23 VAL HA 1.0 1.8 3.6 182 130 A 24 ARG H A 23 VAL HA 1.0 1.8 4.7 183 131 A 9 CYS HBy A 9 CYS HBx 1.0 1.8 3.0 184 132 A 19 LEU H A 18 SER H 1.0 1.8 4.0 185 133 A 21 GLN H A 20 ALA HB% 1.0 1.8 3.7 186 134 A 5 ALA HB% A 5 ALA HA 1.0 1.8 4.0 187 135 A 4 TYR HBy A 4 TYR H 1.0 1.8 3.8 188 136 A 15 ASP HA A 15 ASP HBx 1.0 1.8 3.8 189 137 A 18 SER HA A 18 SER H 1.0 1.8 4.0 190 138 A 23 VAL H A 22 HIS HD2 1.0 1.8 4.3 191 139 A 12 LYS HDx A 12 LYS HE2 1.0 1.8 3.8 192 139 A 12 LYS HDx A 12 LYS HE3 1.0 1.8 3.8 193 140 A 25 ILE HD1% A 26 HIS HE1 1.0 1.8 4.1 194 141 A 24 ARG H A 23 VAL HGy% 1.0 1.8 4.1 195 142 A 19 LEU HBx A 20 ALA H 1.0 1.8 4.6 196 143 A 22 HIS HBx A 22 HIS HA 1.0 1.8 3.6 197 144 A 9 CYS HBy A 26 HIS HE1 1.0 1.8 4.0 198 145 A 11 ASP HBy A 22 HIS HE1 1.0 1.8 4.4 199 146 A 19 LEU HA A 13 PHE HD2 1.0 1.8 4.2 200 146 A 19 LEU HA A 13 PHE HD1 1.0 1.8 4.2 201 147 A 19 LEU HA A 19 LEU HDy% 1.0 1.8 3.8 202 148 A 25 ILE HG1x A 22 HIS HE1 1.0 1.8 4.6 203 149 A 4 TYR HD1 A 4 TYR HE2 1.0 1.8 3.0 204 149 A 4 TYR HD2 A 4 TYR HE2 1.0 1.8 3.0 205 149 A 4 TYR HD2 A 4 TYR HE1 1.0 1.8 3.0 206 149 A 4 TYR HD1 A 4 TYR HE1 1.0 1.8 3.0 207 150 A 19 LEU H A 18 SER HB2 1.0 1.8 4.1 208 150 A 19 LEU H A 18 SER HB3 1.0 1.8 4.1 209 151 A 25 ILE H A 24 ARG HA 1.0 1.8 4.6 210 152 A 24 ARG HBx A 24 ARG HA 1.0 1.8 3.6 211 153 A 20 ALA HA A 20 ALA HB% 1.0 1.8 3.2 212 154 A 21 GLN HA A 24 ARG H 1.0 1.8 4.6 213 155 A 16 ALA HA A 16 ALA HB% 1.0 1.8 3.4 214 156 A 24 ARG H A 23 VAL HB 1.0 1.8 4.7 215 157 A 22 HIS HBx A 13 PHE HZ 1.0 1.8 4.6 216 158 A 12 LYS HBy A 12 LYS HE2 1.0 1.8 4.1 217 158 A 12 LYS HBy A 12 LYS HE3 1.0 1.8 4.1 218 159 A 12 LYS HE2 A 12 LYS HG3 1.0 1.8 4.2 219 159 A 12 LYS HE2 A 12 LYS HG2 1.0 1.8 4.2 220 159 A 12 LYS HE3 A 12 LYS HG2 1.0 1.8 4.2 221 159 A 12 LYS HE3 A 12 LYS HG3 1.0 1.8 4.2 222 160 A 23 VAL HGy% A 23 VAL HB 1.0 1.8 3.6 223 161 A 19 LEU HBy A 19 LEU HG 1.0 1.8 3.2 224 162 A 23 VAL H A 23 VAL HGx% 1.0 1.8 3.7 225 163 A 23 VAL HGy% A 23 VAL HA 1.0 1.8 3.8 226 164 A 24 ARG H A 23 VAL HB 1.0 1.8 4.8 227 165 A 13 PHE HBx A 13 PHE HD2 1.0 1.8 3.6 228 165 A 13 PHE HBx A 13 PHE HD1 1.0 1.8 3.6 229 166 A 20 ALA HA A 23 VAL H 1.0 1.8 4.6 230 167 A 22 HIS H A 22 HIS HBy 1.0 1.8 3.6 231 168 A 20 ALA HB% A 20 ALA H 1.0 1.8 3.2 232 169 A 17 ASN HA A 17 ASN HBy 1.0 1.8 4.1 233 170 A 15 ASP HBy A 15 ASP HA 1.0 1.8 4.3 234 171 A 11 ASP HA A 12 LYS H 1.0 1.8 3.2 235 172 A 12 LYS HDx A 12 LYS HE2 1.0 1.8 4.2 236 172 A 12 LYS HDx A 12 LYS HE3 1.0 1.8 4.2 237 173 A 2 ILE HB A 2 ILE HG2% 1.0 1.8 3.6 238 174 A 19 LEU HBy A 20 ALA H 1.0 1.8 3.8 239 175 A 21 GLN H A 21 GLN HB2 1.0 1.8 4.0 240 175 A 21 GLN H A 21 GLN HB3 1.0 1.8 4.0 241 176 A 19 LEU HG A 13 PHE HD2 1.0 1.8 4.2 242 176 A 19 LEU HG A 13 PHE HD1 1.0 1.8 4.2 243 177 A 4 TYR HBy A 19 LEU HDy% 1.0 1.8 4.7 244 178 A 15 ASP HBy A 15 ASP HA 1.0 1.8 4.4 245 179 A 19 LEU HDx% A 4 TYR HBx 1.0 1.8 3.8 246 180 A 4 TYR HD2 A 4 TYR HE2 1.0 1.8 2.9 247 180 A 4 TYR HD1 A 4 TYR HE2 1.0 1.8 2.9 248 180 A 4 TYR HD1 A 4 TYR HE1 1.0 1.8 2.9 249 180 A 4 TYR HD2 A 4 TYR HE1 1.0 1.8 2.9 250 181 A 21 GLN HA A 21 GLN HB2 1.0 1.8 4.0 251 181 A 21 GLN HA A 21 GLN HB3 1.0 1.8 4.0 252 182 A 19 LEU HDy% A 6 CYS HBx 1.0 1.8 4.0 253 183 A 19 LEU HDy% A 22 HIS HBy 1.0 1.8 4.7 254 184 A 19 LEU HDx% A 4 TYR HBx 1.0 1.8 3.6 255 185 A 4 TYR HBy A 19 LEU HDx% 1.0 1.8 4.4 256 186 A 25 ILE H A 25 ILE HG1y 1.0 1.8 4.2 257 187 A 19 LEU HDy% A 22 HIS HBy 1.0 1.8 4.3 258 188 A 11 ASP H A 6 CYS HBx 1.0 1.8 4.7 259 189 A 19 LEU HDy% A 6 CYS HBx 1.0 1.8 4.1 260 190 A 4 TYR HBy A 19 LEU HDx% 1.0 1.8 4.1 261 191 A 23 VAL HGx% A 22 HIS HD2 1.0 1.8 3.5 262 192 A 21 GLN HE22 A 21 GLN HE21 1.0 1.8 3.8 263 193 A 13 PHE HE2 A 13 PHE HD2 1.0 1.8 3.1 264 193 A 13 PHE HE1 A 13 PHE HD2 1.0 1.8 3.1 265 193 A 13 PHE HE1 A 13 PHE HD1 1.0 1.8 3.1 266 193 A 13 PHE HE2 A 13 PHE HD1 1.0 1.8 3.1 267 194 A 22 HIS HBx A 22 HIS HBy 1.0 1.8 3.1 268 195 A 7 ASP H A 7 ASP HB2 1.0 1.8 4.6 269 195 A 7 ASP H A 7 ASP HB3 1.0 1.8 4.6 270 196 A 23 VAL HGx% A 23 VAL HB 1.0 1.8 3.4 271 197 A 16 ALA HA A 16 ALA HB% 1.0 1.8 3.5 272 198 A 11 ASP HBy A 12 LYS H 1.0 1.8 4.9 273 199 A 25 ILE HG1x A 25 ILE HB 1.0 1.8 3.6 274 200 A 19 LEU HBy A 16 ALA HA 1.0 1.8 4.2 275 201 A 11 ASP HA A 12 LYS H 1.0 1.8 3.4 276 202 A 19 LEU HA A 19 LEU HG 1.0 1.8 4.0 277 203 A 6 CYS HBx A 6 CYS H 1.0 1.8 4.0 278 204 A 10 GLY HAx A 9 CYS H 1.0 1.8 4.6 279 205 A 11 ASP HBy A 11 ASP H 1.0 1.8 3.7 280 206 A 4 TYR HD2 A 4 TYR H 1.0 1.8 4.6 281 206 A 4 TYR HD1 A 4 TYR H 1.0 1.8 4.6 282 207 A 10 GLY H A 10 GLY HAx 1.0 1.8 4.3 283 208 A 11 ASP HBy A 13 PHE HZ 1.0 1.8 5.3 284 209 A 23 VAL HGy% A 22 HIS HD2 1.0 1.8 3.8 285 210 A 25 ILE HA A 25 ILE HB 1.0 1.8 3.4 286 211 A 26 HIS HD2 A 23 VAL HGx% 1.0 1.8 4.7 287 212 A 22 HIS HBy A 22 HIS HA 1.0 1.8 3.8 288 213 A 23 VAL HA A 22 HIS HD2 1.0 1.8 4.0 289 214 A 6 CYS HBx A 22 HIS HD2 1.0 1.8 3.7 290 215 A 16 ALA HB% A 4 TYR HE2 1.0 1.8 4.4 291 215 A 16 ALA HB% A 4 TYR HE1 1.0 1.8 4.4 292 216 A 22 HIS H A 22 HIS HBx 1.0 1.8 3.8 293 217 A 17 ASN HA A 17 ASN HBx 1.0 1.8 4.1 294 218 A 4 TYR HD2 A 4 TYR HBy 1.0 1.8 3.7 295 218 A 4 TYR HD1 A 4 TYR HBy 1.0 1.8 3.7 296 219 A 12 LYS HDx A 12 LYS H 1.0 1.8 3.6 297 220 A 13 PHE HE2 A 11 ASP HBy 1.0 1.8 4.8 298 220 A 13 PHE HE1 A 11 ASP HBy 1.0 1.8 4.8 299 221 A 23 VAL HGx% A 22 HIS HD2 1.0 1.8 4.0 300 222 A 16 ALA HB% A 4 TYR HE2 1.0 1.8 4.0 301 222 A 16 ALA HB% A 4 TYR HE1 1.0 1.8 4.0 302 223 A 16 ALA HB% A 16 ALA H 1.0 1.8 3.8 303 224 A 24 ARG HG2 A 24 ARG HA 1.0 1.8 3.8 304 224 A 24 ARG HG3 A 24 ARG HA 1.0 1.8 3.8 305 225 A 13 PHE HE2 A 11 ASP HBx 1.0 1.8 4.0 306 225 A 13 PHE HE1 A 11 ASP HBx 1.0 1.8 4.0 307 226 A 27 THR HB A 27 THR HG2% 1.0 1.8 3.5 308 227 A 11 ASP HA A 11 ASP H 1.0 1.8 4.1 309 228 A 26 HIS HD2 A 23 VAL HGy% 1.0 1.8 4.7 310 229 A 2 ILE HB A 2 ILE HG2% 1.0 1.8 3.8 311 230 A 9 CYS HBy A 9 CYS H 1.0 1.8 4.3 312 231 A 20 ALA HA A 23 VAL HB 1.0 1.8 4.0 313 232 A 25 ILE HG1x A 25 ILE HB 1.0 1.8 3.4 314 233 A 26 HIS H A 27 THR H 1.0 1.8 4.4 315 234 A 23 VAL HGx% A 23 VAL HB 1.0 1.8 3.5 316 235 A 22 HIS H A 22 HIS HA 1.0 1.8 4.0 317 236 A 24 ARG HBy A 25 ILE HA 1.0 1.8 4.3 318 237 A 11 ASP HBx A 13 PHE HZ 1.0 1.8 4.3 319 238 A 5 ALA HA A 6 CYS H 1.0 1.8 3.8 320 239 A 12 LYS HDx A 12 LYS H 1.0 1.8 4.0 321 239 A 12 LYS H A 12 LYS HDy 1.0 1.8 4.0 322 240 A 23 VAL HGx% A 23 VAL HA 1.0 1.8 3.8 323 241 A 6 CYS HBy A 22 HIS HD2 1.0 1.8 4.6 324 242 A 19 LEU HBx A 19 LEU HDy% 1.0 1.8 3.4 325 243 A 23 VAL H A 23 VAL HA 1.0 1.8 4.0 326 244 A 24 ARG H A 24 ARG HG2 1.0 1.8 4.1 327 244 A 24 ARG HG3 A 24 ARG H 1.0 1.8 4.1 328 245 A 6 CYS HBx A 6 CYS H 1.0 1.8 4.0 329 246 A 9 CYS HA A 9 CYS HBx 1.0 1.8 4.3 330 247 A 27 THR HB A 27 THR HG2% 1.0 1.8 3.4 331 248 A 5 ALA HA A 12 LYS HDx 1.0 1.8 5.0 332 249 A 17 ASN HBx A 17 ASN H 1.0 1.8 4.3 333 250 A 9 CYS HBy A 9 CYS HA 1.0 1.8 3.6 334 251 A 19 LEU HG A 20 ALA H 1.0 1.8 4.3 335 252 A 19 LEU HDy% A 13 PHE HD2 1.0 1.8 3.6 336 252 A 19 LEU HDy% A 13 PHE HD1 1.0 1.8 3.6 337 253 A 25 ILE H A 25 ILE HB 1.0 1.8 4.0 338 254 A 14 LEU H A 14 LEU HA 1.0 1.8 4.4 339 255 A 25 ILE HD1% A 25 ILE HB 1.0 1.8 3.7 340 256 A 9 CYS HBy A 9 CYS HA 1.0 1.8 4.1 341 257 A 22 HIS H A 21 GLN HGy 1.0 1.8 4.0 342 257 A 22 HIS H A 21 GLN HGx 1.0 1.8 4.0 343 258 A 3 LEU HG A 3 LEU HDx% 1.0 1.8 3.4 344 259 A 19 LEU HDy% A 23 VAL HGx% 1.0 1.8 3.6 345 260 A 24 ARG HBx A 24 ARG H 1.0 1.8 3.4 346 261 A 19 LEU HDx% A 5 ALA H 1.0 1.8 4.8 347 262 A 21 GLN HGy A 21 GLN HA 1.0 1.8 3.4 348 262 A 21 GLN HGx A 21 GLN HA 1.0 1.8 3.4 349 263 A 5 ALA HA A 19 LEU HDx% 1.0 1.8 4.7 350 264 A 5 ALA HA A 12 LYS HBy 1.0 1.8 5.2 351 265 A 2 ILE HG1x A 2 ILE HG1y 1.0 1.8 3.2 352 266 A 19 LEU HDx% A 5 ALA H 1.0 1.8 4.8 353 267 A 11 ASP HA A 11 ASP HBx 1.0 1.8 4.0 354 268 A 18 SER HA A 21 GLN H 1.0 1.8 4.2 355 269 A 19 LEU HBy A 19 LEU HDx% 1.0 1.8 3.6 356 270 A 26 HIS HD2 A 23 VAL HB 1.0 1.8 4.4 357 271 A 21 GLN HA A 20 ALA HB% 1.0 1.8 4.3 358 272 A 28 ALA HA A 28 ALA HB% 1.0 1.8 3.7 359 273 A 15 ASP H A 15 ASP HBy 1.0 1.8 4.3 360 274 A 25 ILE H A 25 ILE HG2% 1.0 1.8 4.1 361 275 A 21 GLN HGy A 21 GLN H 1.0 1.8 3.5 362 275 A 21 GLN HGx A 21 GLN H 1.0 1.8 3.5 363 276 A 2 ILE HG2% A 2 ILE HG1y 1.0 1.8 3.8 364 277 A 15 ASP H A 15 ASP HBx 1.0 1.8 4.6 365 278 A 19 LEU HDx% A 19 LEU HBx 1.0 1.8 3.5 366 279 A 25 ILE HD1% A 25 ILE HB 1.0 1.8 3.8 367 280 A 16 ALA HB% A 16 ALA H 1.0 1.8 3.5 368 281 A 25 ILE HD1% A 26 HIS HE1 1.0 1.8 4.3 369 282 A 13 PHE HE2 A 6 CYS HBx 1.0 1.8 3.7 370 282 A 13 PHE HE1 A 6 CYS HBx 1.0 1.8 3.7 371 283 A 18 SER HA A 18 SER H 1.0 1.8 4.1 372 284 A 13 PHE HE2 A 13 PHE HZ 1.0 1.8 3.4 373 284 A 13 PHE HE1 A 13 PHE HZ 1.0 1.8 3.4 374 285 A 10 GLY H A 10 GLY HAy 1.0 1.8 4.0 375 286 A 2 ILE HG1x A 2 ILE HD1% 1.0 1.8 3.4 376 287 A 19 LEU HBy A 19 LEU HG 1.0 1.8 3.2 377 288 A 25 ILE H A 25 ILE HB 1.0 1.8 3.7 378 289 A 6 CYS HBy A 6 CYS H 1.0 1.8 3.8 379 290 A 2 ILE H A 2 ILE HA 1.0 1.8 4.6 380 291 A 23 VAL HGy% A 23 VAL HB 1.0 1.8 3.4 381 292 A 13 PHE HE2 A 11 ASP HBy 1.0 1.8 4.2 382 292 A 13 PHE HE1 A 11 ASP HBy 1.0 1.8 4.2 383 293 A 13 PHE HE2 A 22 HIS HBy 1.0 1.8 4.0 384 293 A 13 PHE HE1 A 22 HIS HBy 1.0 1.8 4.0 385 294 A 5 ALA HB% A 5 ALA H 1.0 1.8 4.1 386 295 A 23 VAL HA A 23 VAL HB 1.0 1.8 3.6 387 296 A 4 TYR HD2 A 4 TYR HBx 1.0 1.8 3.4 388 296 A 4 TYR HD1 A 4 TYR HBx 1.0 1.8 3.4 389 297 A 6 CYS HA A 22 HIS HD2 1.0 1.8 4.1 390 298 A 8 SER HBx A 8 SER HBy 1.0 1.8 3.4 391 299 A 3 LEU HG A 3 LEU HDy% 1.0 1.8 3.4 392 300 A 13 PHE HD2 A 13 PHE H 1.0 1.8 4.0 393 300 A 13 PHE HD1 A 13 PHE H 1.0 1.8 4.0 394 301 A 13 PHE HE2 A 13 PHE HZ 1.0 1.8 3.2 395 301 A 13 PHE HE1 A 13 PHE HZ 1.0 1.8 3.2 396 302 A 11 ASP HA A 11 ASP H 1.0 1.8 4.2 397 303 A 21 GLN HA A 24 ARG HD2 1.0 1.8 4.1 398 303 A 21 GLN HA A 24 ARG HD3 1.0 1.8 4.1 399 304 A 9 CYS H A 7 ASP HA 1.0 1.8 4.1 400 305 A 2 ILE HG2% A 2 ILE HG1y 1.0 1.8 3.8 401 306 A 9 CYS H A 7 ASP HA 1.0 1.8 3.8 402 307 A 25 ILE H A 23 VAL HA 1.0 1.8 4.8 403 308 A 23 VAL H A 23 VAL HA 1.0 1.8 4.0 404 309 A 20 ALA HB% A 20 ALA H 1.0 1.8 3.4 405 310 A 19 LEU HDx% A 19 LEU HBx 1.0 1.8 3.2 406 311 A 25 ILE H A 25 ILE HA 1.0 1.8 3.8 407 312 A 24 ARG H A 25 ILE H 1.0 1.8 3.8 408 313 A 13 PHE HD2 A 13 PHE H 1.0 1.8 4.1 409 313 A 13 PHE HD1 A 13 PHE H 1.0 1.8 4.1 410 314 A 6 CYS HBy A 19 LEU HDy% 1.0 1.8 4.7 411 315 A 6 CYS HBy A 6 CYS H 1.0 1.8 3.8 412 316 A 16 ALA HA A 16 ALA H 1.0 1.8 4.0 413 317 A 18 SER HA A 21 GLN H 1.0 1.8 4.0 414 318 A 18 SER HB3 A 13 PHE HD2 1.0 1.8 3.8 415 318 A 18 SER HB2 A 13 PHE HD2 1.0 1.8 3.8 416 318 A 18 SER HB2 A 13 PHE HD1 1.0 1.8 3.8 417 318 A 18 SER HB3 A 13 PHE HD1 1.0 1.8 3.8 418 319 A 22 HIS HBy A 22 HIS HA 1.0 1.8 4.2 419 320 A 16 ALA HA A 20 ALA H 1.0 1.8 4.8 420 321 A 26 HIS HD2 A 23 VAL HGx% 1.0 1.8 4.0 421 322 A 24 ARG H A 24 ARG HA 1.0 1.8 3.8 422 323 A 23 VAL H A 22 HIS HBy 1.0 1.8 4.2 423 324 A 23 VAL H A 22 HIS HBy 1.0 1.8 4.0 424 325 A 10 GLY H A 10 GLY HAx 1.0 1.8 3.6 425 326 A 2 ILE HG1x A 2 ILE HG1y 1.0 1.8 3.2 426 327 A 10 GLY H A 9 CYS HBx 1.0 1.8 4.7 427 328 A 24 ARG H A 25 ILE H 1.0 1.8 4.0 428 329 A 24 ARG HBy A 24 ARG HA 1.0 1.8 4.0 429 330 A 19 LEU H A 19 LEU HA 1.0 1.8 4.2 430 331 A 23 VAL H A 23 VAL HGx% 1.0 1.8 4.0 431 332 A 17 ASN HBy A 16 ALA H 1.0 1.8 4.6 432 333 A 19 LEU H A 18 SER H 1.0 1.8 4.0 433 334 A 16 ALA H A 15 ASP HBx 1.0 1.8 4.4 434 335 A 19 LEU H A 19 LEU HBx 1.0 1.8 4.6 435 336 A 19 LEU H A 20 ALA H 1.0 1.8 3.8 436 337 A 23 VAL H A 23 VAL HB 1.0 1.8 4.2 437 338 A 26 HIS HD2 A 25 ILE HG1y 1.0 1.8 4.4 438 339 A 20 ALA HA A 20 ALA H 1.0 1.8 3.7 439 340 A 13 PHE HE2 A 6 CYS HBy 1.0 1.8 4.7 440 340 A 13 PHE HE1 A 6 CYS HBy 1.0 1.8 4.7 441 341 A 4 TYR HA A 4 TYR HE2 1.0 1.8 4.3 442 341 A 4 TYR HA A 4 TYR HE1 1.0 1.8 4.3 443 342 A 22 HIS HBx A 22 HIS HBy 1.0 1.8 3.1 444 343 A 5 ALA HB% A 6 CYS H 1.0 1.8 4.6 445 344 A 20 ALA HA A 23 VAL HB 1.0 1.8 4.6 446 345 A 19 LEU H A 20 ALA H 1.0 1.8 4.0 447 346 A 16 ALA H A 17 ASN HBx 1.0 1.8 4.2 448 347 A 13 PHE HBx A 13 PHE HBy 1.0 1.8 3.2 449 348 A 6 CYS HBy A 6 CYS HBx 1.0 1.8 3.1 450 349 A 24 ARG HBx A 24 ARG HA 1.0 1.8 4.2 451 350 A 21 GLN HA A 21 GLN H 1.0 1.8 3.7 452 351 A 19 LEU HBx A 19 LEU HDy% 1.0 1.8 3.6 453 352 A 22 HIS H A 23 VAL H 1.0 1.8 3.8 454 353 A 21 GLN HGx A 25 ILE H 1.0 1.8 4.4 455 354 A 6 CYS HA A 19 LEU HDy% 1.0 1.8 4.2 456 355 A 7 ASP H A 7 ASP HA 1.0 1.8 4.4 457 356 A 22 HIS H A 22 HIS HBy 1.0 1.8 3.7 458 357 A 25 ILE H A 25 ILE HG1x 1.0 1.8 3.7 459 358 A 21 GLN HE22 A 21 GLN HE21 1.0 1.8 4.0 460 359 A 13 PHE HE2 A 19 LEU HDy% 1.0 1.8 4.0 461 359 A 13 PHE HE1 A 19 LEU HDy% 1.0 1.8 4.0 462 360 A 19 LEU HBy A 19 LEU H 1.0 1.8 3.6 463 361 A 23 VAL H A 23 VAL HB 1.0 1.8 3.8 464 362 A 21 GLN H A 21 GLN HB2 1.0 1.8 4.8 465 362 A 21 GLN H A 21 GLN HB3 1.0 1.8 4.8 466 363 A 23 VAL HGy% A 23 VAL HA 1.0 1.8 4.0 467 364 A 21 GLN H A 20 ALA HB% 1.0 1.8 3.7 468 365 A 6 CYS HBy A 11 ASP H 1.0 1.8 4.3 469 366 A 9 CYS HBy A 9 CYS HBx 1.0 1.8 3.1 470 367 A 15 ASP H A 15 ASP HBy 1.0 1.8 4.1 471 368 A 22 HIS HD2 A 22 HIS HBy 1.0 1.8 4.2 472 369 A 4 TYR HBx A 19 LEU HG 1.0 1.8 4.4 473 370 A 26 HIS H A 25 ILE HA 1.0 1.8 4.8 474 371 A 19 LEU HDy% A 13 PHE HD2 1.0 1.8 3.8 475 371 A 19 LEU HDy% A 13 PHE HD1 1.0 1.8 3.8 476 372 A 19 LEU HDy% A 23 VAL HGx% 1.0 1.8 3.5 477 373 A 18 SER HB2 A 13 PHE HBx 1.0 1.8 4.1 478 373 A 18 SER HB3 A 13 PHE HBx 1.0 1.8 4.1 479 374 A 9 CYS HBx A 26 HIS HE1 1.0 1.8 4.1 480 375 A 25 ILE HD1% A 22 HIS HE1 1.0 1.8 3.6 481 376 A 23 VAL HA A 23 VAL HB 1.0 1.8 4.0 482 377 A 16 ALA H A 17 ASN HBx 1.0 1.8 3.7 483 378 A 24 ARG HG2 A 24 ARG HA 1.0 1.8 4.1 484 378 A 24 ARG HG3 A 24 ARG HA 1.0 1.8 4.1 485 379 A 21 GLN HGy A 21 GLN H 1.0 1.8 4.0 486 380 A 20 ALA HA A 20 ALA HB% 1.0 1.8 3.1 487 381 A 19 LEU H A 18 SER HB2 1.0 1.8 4.2 488 381 A 19 LEU H A 18 SER HB3 1.0 1.8 4.2 489 382 A 26 HIS HBy A 26 HIS HD2 1.0 1.8 4.1 490 383 A 13 PHE HD2 A 13 PHE HBy 1.0 1.8 3.5 491 383 A 13 PHE HD1 A 13 PHE HBy 1.0 1.8 3.5 492 384 A 22 HIS HBx A 22 HIS HA 1.0 1.8 3.7 493 385 A 25 ILE H A 23 VAL HA 1.0 1.8 4.7 494 386 A 22 HIS H A 19 LEU HA 1.0 1.8 4.6 495 387 A 22 HIS H A 18 SER HA 1.0 1.8 4.6 496 388 A 25 ILE HA A 25 ILE HB 1.0 1.8 3.7 497 389 A 25 ILE HD1% A 25 ILE HA 1.0 1.8 4.7 498 390 A 15 ASP HA A 15 ASP HBx 1.0 1.8 4.2 499 391 A 24 ARG HBx A 25 ILE HA 1.0 1.8 4.0 500 392 A 21 GLN HGx A 21 GLN HA 1.0 1.8 3.8 501 393 A 13 PHE HBx A 13 PHE HBy 1.0 1.8 3.4 502 394 A 21 GLN HGx A 21 GLN HE22 1.0 1.8 3.8 503 395 A 9 CYS HBx A 26 HIS HE1 1.0 1.8 3.5 504 396 A 4 TYR HA A 5 ALA H 1.0 1.8 4.0 505 397 A 25 ILE HG1x A 25 ILE HA 1.0 1.8 3.7 506 398 A 4 TYR HA A 3 LEU HDy% 1.0 1.8 3.8 507 399 A 19 LEU HA A 13 PHE HD2 1.0 1.8 4.7 508 399 A 19 LEU HA A 13 PHE HD1 1.0 1.8 4.7 509 400 A 6 CYS HBy A 6 CYS HBx 1.0 1.8 3.0 510 401 A 3 LEU HG A 3 LEU HA 1.0 1.8 4.2 511 402 A 23 VAL H A 23 VAL HGy% 1.0 1.8 3.6 512 403 A 19 LEU HBy A 20 ALA H 1.0 1.8 4.0 513 404 A 9 CYS HBy A 26 HIS HE1 1.0 1.8 4.4 514 405 A 13 PHE HE2 A 19 LEU HDy% 1.0 1.8 4.2 515 405 A 13 PHE HE1 A 19 LEU HDy% 1.0 1.8 4.2 516 406 A 17 ASN HA A 20 ALA H 1.0 1.8 4.7 517 407 A 26 HIS H A 25 ILE HA 1.0 1.8 4.7 518 408 A 21 GLN HA A 24 ARG HD2 1.0 1.8 4.2 519 408 A 21 GLN HA A 24 ARG HD3 1.0 1.8 4.2 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _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 26 HIS N A 22 HIS O 1.0 2.4 3.3 2 2 A 26 HIS N A 22 HIS O 1.0 2.4 3.3 3 3 A 23 VAL N A 19 LEU O 1.0 2.4 3.3 4 4 A 23 VAL N A 19 LEU O 1.0 2.4 3.3 5 5 A 22 HIS N A 18 SER O 1.0 2.4 3.3 6 6 A 22 HIS N A 18 SER O 1.0 2.4 3.3 7 7 A 21 GLN N A 17 ASN O 1.0 2.4 3.3 8 8 A 21 GLN N A 17 ASN O 1.0 2.4 3.3 9 9 A 20 ALA N A 16 ALA O 1.0 2.4 3.3 10 10 A 20 ALA N A 16 ALA O 1.0 2.4 3.3 11 11 A 16 ALA O A 18 SER N 1.0 2.4 3.3 12 12 A 16 ALA O A 18 SER N 1.0 2.4 3.3 13 13 A 13 PHE N A 4 TYR O 1.0 2.4 3.3 14 14 A 13 PHE N A 4 TYR O 1.0 2.4 3.3 15 15 A 4 TYR N A 13 PHE O 1.0 2.4 3.3 16 16 A 4 TYR N A 13 PHE O 1.0 2.4 3.3 17 17 A 9 CYS N A 7 ASP O 1.0 2.4 3.3 18 18 A 9 CYS N A 7 ASP O 1.0 2.4 3.3 19 19 A 6 CYS N A 11 ASP O 1.0 2.4 3.3 20 20 A 6 CYS N A 11 ASP O 1.0 2.4 3.3 21 21 A 10 GLY N A 6 CYS O 1.0 2.4 3.3 22 22 A 10 GLY N A 6 CYS O 1.0 2.4 3.3 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 save_