data_nef_c17661_2lde 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 17662 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 15 CYS SG 1 3 CYS SG 1 11 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 SER middle . . 3 A 3 CYS middle -HG . 4 A 4 THR middle . . 5 A 5 ASP middle . . 6 A 6 MET middle . . 7 A 7 SER middle . . 8 A 8 ASP middle . . 9 A 9 LEU middle . . 10 A 10 GLU middle . . 11 A 11 CYS middle -HG . 12 A 12 MET middle . . 13 A 13 ASN middle . . 14 A 14 PHE middle . . 15 A 15 CYS middle -HG . 16 A 16 HIS middle . . 17 A 17 LYS middle . . 18 A 18 ASP middle . . 19 A 19 VAL middle . . 20 A 20 ILE middle . . 21 A 21 TRP middle . . 22 A 22 VAL middle . . 23 A 23 ASN middle . . 24 A 24 ARG middle . . 25 A 25 ASN 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 4.183 . A 1 CYS HBy H 1 3.321 . A 1 CYS HBx H 1 3.073 . A 2 SER H H 1 8.942 . A 2 SER HA H 1 4.734 . A 2 SER HBx H 1 3.821 . A 2 SER HBy H 1 3.821 . A 3 CYS H H 1 8.728 . A 3 CYS HA H 1 4.897 . A 3 CYS HBy H 1 3.370 . A 3 CYS HBx H 1 2.940 . A 4 THR H H 1 8.058 . A 4 THR HA H 1 4.104 . A 4 THR HB H 1 3.958 . A 4 THR HG2% H 1 1.135 . A 5 ASP H H 1 8.871 . A 5 ASP HA H 1 4.494 . A 5 ASP HBy H 1 3.073 . A 5 ASP HBx H 1 2.805 . A 6 MET H H 1 7.903 . A 6 MET HA H 1 4.630 . A 6 MET HBy H 1 2.066 . A 6 MET HBx H 1 1.765 . A 6 MET HE% H 1 1.690 . A 6 MET HGy H 1 2.438 . A 6 MET HGx H 1 2.322 . A 7 SER H H 1 8.179 . A 7 SER HA H 1 4.471 . A 7 SER HBy H 1 4.235 . A 7 SER HBx H 1 3.973 . A 8 ASP H H 1 8.809 . A 8 ASP HA H 1 4.385 . A 8 ASP HBy H 1 2.884 . A 8 ASP HBx H 1 2.837 . A 9 LEU H H 1 8.331 . A 9 LEU HA H 1 4.048 . A 9 LEU HBx H 1 1.625 . A 9 LEU HBy H 1 1.625 . A 9 LEU HD11 H 1 0.853 . A 9 LEU HD12 H 1 0.853 . A 9 LEU HD13 H 1 0.853 . A 9 LEU HD21 H 1 0.904 . A 9 LEU HD22 H 1 0.904 . A 9 LEU HD23 H 1 0.904 . A 9 LEU HG H 1 1.537 . A 10 GLU H H 1 7.757 . A 10 GLU HA H 1 4.069 . A 10 GLU HBy H 1 2.149 . A 10 GLU HBx H 1 2.071 . A 10 GLU HGx H 1 2.537 . A 10 GLU HGy H 1 2.537 . A 11 CYS H H 1 8.510 . A 11 CYS HA H 1 4.585 . A 11 CYS HBx H 1 3.108 . A 11 CYS HBy H 1 3.108 . A 12 MET H H 1 8.203 . A 12 MET HA H 1 4.097 . A 12 MET HBy H 1 2.150 . A 12 MET HBx H 1 2.081 . A 12 MET HE% H 1 2.002 . A 12 MET HGy H 1 2.615 . A 12 MET HGx H 1 2.534 . A 13 ASN H H 1 7.819 . A 13 ASN HA H 1 4.469 . A 13 ASN HBx H 1 2.752 . A 13 ASN HBy H 1 2.752 . A 13 ASN HD2x H 1 6.857 . A 13 ASN HD2y H 1 7.428 . A 14 PHE H H 1 8.408 . A 14 PHE HA H 1 4.375 . A 14 PHE HBy H 1 3.210 . A 14 PHE HBx H 1 3.158 . A 14 PHE HDx H 1 7.277 . A 14 PHE HDy H 1 7.277 . A 14 PHE HEx H 1 7.308 . A 14 PHE HEy H 1 7.308 . A 14 PHE HZ H 1 7.384 . A 15 CYS H H 1 8.416 . A 15 CYS HA H 1 4.631 . A 15 CYS HBy H 1 3.125 . A 15 CYS HBx H 1 2.807 . A 16 HIS H H 1 7.847 . A 16 HIS HA H 1 4.628 . A 16 HIS HBx H 1 3.305 . A 16 HIS HBy H 1 3.305 . A 16 HIS HD2 H 1 7.198 . A 16 HIS HE1 H 1 8.536 . A 17 LYS H H 1 7.969 . A 17 LYS HA H 1 4.268 . A 17 LYS HBy H 1 1.788 . A 17 LYS HBx H 1 1.726 . A 17 LYS HDx H 1 1.618 . A 17 LYS HDy H 1 1.618 . A 17 LYS HEx H 1 2.922 . A 17 LYS HEy H 1 2.922 . A 17 LYS HGx H 1 1.341 . A 17 LYS HGy H 1 1.341 . A 17 LYS HZ1 H 1 7.489 . A 17 LYS HZ2 H 1 7.489 . A 17 LYS HZ3 H 1 7.489 . A 18 ASP H H 1 8.353 . A 18 ASP HA H 1 4.650 . A 18 ASP HBy H 1 2.874 . A 18 ASP HBx H 1 2.743 . A 19 VAL H H 1 7.901 . A 19 VAL HA H 1 4.029 . A 19 VAL HB H 1 1.920 . A 19 VAL HG11 H 1 0.710 . A 19 VAL HG12 H 1 0.710 . A 19 VAL HG13 H 1 0.710 . A 19 VAL HG21 H 1 0.805 . A 19 VAL HG22 H 1 0.805 . A 19 VAL HG23 H 1 0.805 . A 20 ILE H H 1 8.032 . A 20 ILE HA H 1 4.108 . A 20 ILE HB H 1 1.754 . A 20 ILE HD1% H 1 0.770 . A 20 ILE HG12 H 1 1.361 . A 20 ILE HG13 H 1 1.089 . A 20 ILE HG21 H 1 0.770 . A 20 ILE HG22 H 1 0.770 . A 20 ILE HG23 H 1 0.770 . A 21 TRP H H 1 8.230 . A 21 TRP HA H 1 4.657 . A 21 TRP HBy H 1 3.213 . A 21 TRP HBx H 1 3.136 . A 21 TRP HD1 H 1 7.162 . A 21 TRP HE1 H 1 10.033 . A 21 TRP HE3 H 1 7.564 . A 21 TRP HH2 H 1 7.174 . A 21 TRP HZ2 H 1 7.429 . A 21 TRP HZ3 H 1 7.090 . A 22 VAL H H 1 7.795 . A 22 VAL HA H 1 3.958 . A 22 VAL HB H 1 1.885 . A 22 VAL HG11 H 1 0.801 . A 22 VAL HGx% H 1 0.801 . A 22 VAL HGy% H 1 0.801 . A 23 ASN H H 1 8.308 . A 23 ASN HA H 1 4.510 . A 23 ASN HBy H 1 2.768 . A 23 ASN HBx H 1 2.620 . A 23 ASN HD2x H 1 6.891 . A 23 ASN HD2y H 1 7.549 . A 24 ARG H H 1 8.214 . A 24 ARG HA H 1 4.282 . A 24 ARG HBy H 1 1.821 . A 24 ARG HBx H 1 1.667 . A 24 ARG HDx H 1 3.068 . A 24 ARG HDy H 1 3.068 . A 24 ARG HE H 1 7.069 . A 24 ARG HGx H 1 1.533 . A 24 ARG HGy H 1 1.533 . A 25 ASN H H 1 8.279 . A 25 ASN HA H 1 4.649 . A 25 ASN HBy H 1 2.816 . A 25 ASN HBx H 1 2.750 . A 25 ASN HD2x H 1 6.846 . A 25 ASN HD2y H 1 7.537 . 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 2 SER H A 2 SER HA 1.0 1.8 3.8 2 2 A 2 SER H A 1 CYS HA 1.0 1.5 2.7 3 3 A 2 SER H A 2 SER HBx 1.0 1.7 3.3 4 3 A 2 SER H A 2 SER HBy 1.0 1.7 3.3 5 4 A 2 SER H A 1 CYS HBy 1.0 2.0 4.8 6 5 A 2 SER H A 1 CYS HBx 1.0 1.9 4.5 7 6 A 3 CYS H A 3 CYS HA 1.0 1.8 3.8 8 7 A 3 CYS H A 3 CYS HBy 1.0 1.9 4.1 9 8 A 15 CYS H A 15 CYS HA 1.0 1.8 3.8 10 9 A 15 CYS H A 14 PHE HA 1.0 1.9 4.5 11 10 A 15 CYS H A 16 HIS HBy 1.0 2.0 6.0 12 10 A 15 CYS H A 16 HIS HBx 1.0 2.0 6.0 13 11 A 14 PHE H A 13 ASN HBx 1.0 1.8 3.4 14 11 A 14 PHE H A 13 ASN HBy 1.0 1.8 3.4 15 12 A 18 ASP H A 18 ASP HBx 1.0 1.8 3.8 16 13 A 18 ASP H A 18 ASP HA 1.0 1.7 3.1 17 14 A 18 ASP H A 17 LYS HBx 1.0 2.0 4.6 18 15 A 18 ASP H A 17 LYS HBy 1.0 1.9 4.3 19 16 A 18 ASP H A 17 LYS HA 1.0 1.6 3.0 20 17 A 18 ASP H A 19 VAL HG21 1.0 2.0 6.0 21 18 A 18 ASP H A 17 LYS HGy 1.0 2.0 5.4 22 18 A 18 ASP H A 17 LYS HGx 1.0 2.0 5.4 23 19 A 9 LEU H A 9 LEU HD11 1.0 2.0 6.0 24 20 A 9 LEU H A 9 LEU HD21 1.0 2.0 6.0 25 21 A 9 LEU H A 9 LEU HG 1.0 1.9 5.1 26 22 A 9 LEU H A 10 GLU HBy 1.0 2.0 6.0 27 23 A 9 LEU H A 8 ASP HBy 1.0 1.8 3.8 28 24 A 9 LEU H A 8 ASP HBx 1.0 1.9 3.9 29 25 A 23 ASN H A 23 ASN HBx 1.0 1.8 4.0 30 26 A 23 ASN H A 23 ASN HBy 1.0 1.8 3.8 31 27 A 23 ASN H A 23 ASN HA 1.0 1.7 3.5 32 28 A 23 ASN H A 22 VAL HB 1.0 1.9 4.9 33 29 A 23 ASN H A 22 VAL HGx% 1.0 1.8 3.6 34 30 A 25 ASN H A 24 ARG HA 1.0 1.8 3.4 35 31 A 25 ASN H A 24 ARG HBy 1.0 2.0 5.8 36 32 A 21 TRP H A 21 TRP HA 1.0 1.9 4.3 37 33 A 21 TRP H A 20 ILE HA 1.0 1.7 3.5 38 34 A 21 TRP H A 21 TRP HBx 1.0 1.7 3.5 39 35 A 21 TRP H A 21 TRP HBy 1.0 1.8 3.6 40 36 A 21 TRP H A 20 ILE HB 1.0 2.0 5.0 41 37 A 19 VAL HG21 A 21 TRP H 1.0 2.0 5.8 42 38 A 21 TRP H A 20 ILE HG13 1.0 2.0 6.0 43 39 A 23 ASN HA A 24 ARG H 1.0 1.8 3.4 44 40 A 24 ARG HA A 24 ARG H 1.0 1.8 3.8 45 41 A 24 ARG H A 24 ARG HBx 1.0 1.9 4.1 46 42 A 24 ARG H A 24 ARG HGx 1.0 2.0 5.6 47 42 A 24 ARG H A 24 ARG HGy 1.0 2.0 5.6 48 43 A 24 ARG HBy A 24 ARG H 1.0 2.0 4.4 49 44 A 12 MET H A 12 MET HA 1.0 1.7 3.3 50 45 A 12 MET H A 12 MET HGy 1.0 1.9 4.1 51 46 A 12 MET H A 12 MET HGx 1.0 1.7 3.1 52 47 A 12 MET H A 12 MET HBy 1.0 1.6 3.0 53 48 A 12 MET H A 12 MET HBx 1.0 1.9 4.1 54 49 A 12 MET H A 8 ASP HA 1.0 2.0 5.0 55 50 A 12 MET H A 11 CYS HBx 1.0 1.7 3.1 56 50 A 12 MET H A 11 CYS HBy 1.0 1.7 3.1 57 51 A 7 SER H A 7 SER HA 1.0 1.7 3.3 58 52 A 7 SER H A 7 SER HBy 1.0 1.8 3.8 59 53 A 7 SER H A 6 MET HA 1.0 1.6 3.0 60 54 A 7 SER H A 6 MET HGx 1.0 2.0 4.8 61 55 A 7 SER H A 6 MET HGy 1.0 2.0 5.4 62 56 A 7 SER H A 10 GLU HBx 1.0 1.7 3.1 63 57 A 4 THR H A 4 THR HB 1.0 1.8 3.6 64 58 A 4 THR H A 4 THR HA 1.0 1.7 3.3 65 59 A 3 CYS HA A 4 THR H 1.0 1.6 2.8 66 60 A 4 THR H A 4 THR HG2% 1.0 1.9 3.9 67 61 A 2 SER HBy A 4 THR H 1.0 2.0 5.2 68 61 A 2 SER HBx A 4 THR H 1.0 2.0 5.2 69 62 A 20 ILE HA A 20 ILE H 1.0 1.8 3.4 70 63 A 20 ILE H A 19 VAL HA 1.0 1.5 2.5 71 64 A 20 ILE HB A 20 ILE H 1.0 1.6 2.8 72 65 A 20 ILE H A 20 ILE HG12 1.0 1.9 4.9 73 66 A 20 ILE H A 20 ILE HG21 1.0 1.8 4.0 74 67 A 19 VAL HG21 A 20 ILE H 1.0 2.0 5.4 75 68 A 20 ILE H A 19 VAL HG11 1.0 1.9 4.3 76 69 A 20 ILE HG13 A 20 ILE H 1.0 0.0 6.0 77 70 A 17 LYS HA A 17 LYS H 1.0 1.7 3.3 78 71 A 17 LYS H A 16 HIS HA 1.0 1.9 4.1 79 72 A 12 MET HA A 17 LYS H 1.0 0.0 6.0 80 73 A 16 HIS HBy A 17 LYS H 1.0 1.8 3.8 81 73 A 16 HIS HBx A 17 LYS H 1.0 1.8 3.8 82 74 A 17 LYS HGy A 17 LYS H 1.0 1.8 3.6 83 74 A 17 LYS HGx A 17 LYS H 1.0 1.8 3.6 84 75 A 17 LYS HBy A 17 LYS H 1.0 1.9 4.3 85 76 A 17 LYS HBx A 17 LYS H 1.0 0.0 6.0 86 77 A 17 LYS H A 17 LYS HDy 1.0 2.0 6.0 87 77 A 17 LYS H A 17 LYS HDx 1.0 2.0 6.0 88 78 A 17 LYS H A 15 CYS HBy 1.0 2.0 5.6 89 79 A 17 LYS H A 15 CYS HBx 1.0 2.0 6.0 90 80 A 14 PHE HA A 17 LYS H 1.0 2.0 5.2 91 81 A 19 VAL HA A 19 VAL H 1.0 1.8 3.4 92 82 A 18 ASP HA A 19 VAL H 1.0 1.7 3.1 93 83 A 4 THR HA A 6 MET H 1.0 2.0 6.0 94 84 A 17 LYS HA A 19 VAL H 1.0 1.9 6.0 95 85 A 19 VAL H A 19 VAL HB 1.0 1.8 3.6 96 86 A 19 VAL HG11 A 19 VAL H 1.0 1.9 4.1 97 87 A 19 VAL H A 18 ASP HBy 1.0 2.0 4.4 98 88 A 16 HIS HBy A 16 HIS H 1.0 1.7 3.1 99 88 A 16 HIS HBx A 16 HIS H 1.0 1.7 3.1 100 89 A 15 CYS HBy A 16 HIS H 1.0 2.0 5.4 101 90 A 17 LYS HA A 16 HIS H 1.0 1.4 6.0 102 91 A 13 ASN H A 13 ASN HA 1.0 1.7 3.5 103 92 A 12 MET HA A 13 ASN H 1.0 1.9 3.9 104 93 A 13 ASN H A 10 GLU HA 1.0 1.9 4.5 105 94 A 13 ASN HBx A 13 ASN H 1.0 1.5 2.7 106 94 A 13 ASN HBy A 13 ASN H 1.0 1.5 2.7 107 95 A 12 MET HBy A 13 ASN H 1.0 1.8 3.8 108 96 A 12 MET HBx A 13 ASN H 1.0 1.9 4.7 109 97 A 12 MET HGx A 13 ASN H 1.0 1.9 6.0 110 98 A 12 MET HGy A 13 ASN H 1.0 1.7 6.0 111 99 A 9 LEU HD21 A 13 ASN H 1.0 1.8 6.0 112 100 A 13 ASN H A 9 LEU HBy 1.0 1.8 6.0 113 101 A 22 VAL H A 22 VAL HA 1.0 1.8 3.8 114 102 A 21 TRP HA A 22 VAL H 1.0 1.6 2.8 115 103 A 22 VAL HGx% A 22 VAL H 1.0 1.7 3.3 116 103 A 22 VAL H A 22 VAL HGy% 1.0 1.7 3.3 117 104 A 22 VAL HB A 22 VAL H 1.0 1.8 3.8 118 105 A 21 TRP HBy A 22 VAL H 1.0 2.0 5.0 119 106 A 19 VAL HG11 A 22 VAL H 1.0 2.0 6.0 120 107 A 20 ILE HG12 A 22 VAL H 1.0 1.9 6.0 121 108 A 8 ASP HA A 10 GLU H 1.0 1.9 6.0 122 109 A 10 GLU HBy A 10 GLU H 1.0 1.7 3.1 123 110 A 9 LEU HG A 10 GLU H 1.0 1.9 4.3 124 111 A 7 SER HA A 10 GLU H 1.0 1.9 6.0 125 112 A 19 VAL HG11 A 21 TRP HE1 1.0 2.0 6.0 126 113 A 20 ILE HG21 A 21 TRP HE1 1.0 1.9 6.0 127 114 A 19 VAL HG21 A 21 TRP HE1 1.0 2.0 6.0 128 115 A 16 HIS HBy A 16 HIS HD2 1.0 1.8 3.6 129 115 A 16 HIS HBx A 16 HIS HD2 1.0 1.8 3.6 130 116 A 16 HIS HA A 16 HIS HD2 1.0 1.9 4.9 131 117 A 12 MET HA A 16 HIS HD2 1.0 1.9 4.5 132 118 A 15 CYS HBy A 16 HIS HD2 1.0 2.0 6.0 133 119 A 15 CYS HBx A 16 HIS HD2 1.0 1.9 4.7 134 120 A 16 HIS HBx A 16 HIS HE1 1.0 1.9 6.0 135 120 A 16 HIS HBy A 16 HIS HE1 1.0 1.9 6.0 136 121 A 13 ASN HA A 13 ASN HD2y 1.0 1.9 6.0 137 122 A 13 ASN HA A 13 ASN HD2x 1.0 1.9 6.0 138 123 A 13 ASN HBx A 13 ASN HD2x 1.0 1.8 4.0 139 123 A 13 ASN HBy A 13 ASN HD2x 1.0 1.8 4.0 140 124 A 13 ASN HBx A 13 ASN HD2y 1.0 2.0 4.8 141 124 A 13 ASN HBy A 13 ASN HD2y 1.0 2.0 4.8 142 125 A 10 GLU HA A 13 ASN HD2y 1.0 2.0 5.8 143 126 A 10 GLU HA A 13 ASN HD2x 1.0 1.9 4.7 144 127 A 9 LEU HD21 A 13 ASN HD2x 1.0 2.0 5.6 145 128 A 9 LEU HD21 A 13 ASN HD2y 1.0 2.0 5.2 146 129 A 9 LEU HD11 A 13 ASN HD2y 1.0 1.9 6.0 147 130 A 9 LEU HG A 13 ASN HD2x 1.0 1.7 6.0 148 131 A 9 LEU HBy A 13 ASN HD2x 1.0 2.0 5.4 149 132 A 19 VAL HG11 A 21 TRP HZ2 1.0 2.0 5.6 150 133 A 19 VAL HG21 A 21 TRP HZ2 1.0 1.9 5.5 151 134 A 13 ASN HD2y A 10 GLU HGx 1.0 2.0 6.0 152 134 A 13 ASN HD2y A 10 GLU HGy 1.0 2.0 6.0 153 135 A 23 ASN HBx A 23 ASN HD2y 1.0 2.0 6.0 154 136 A 23 ASN HBx A 23 ASN HD2x 1.0 2.0 6.0 155 137 A 23 ASN HBy A 23 ASN HD2x 1.0 2.0 6.0 156 138 A 22 VAL HGy% A 23 ASN HD2x 1.0 2.0 5.6 157 138 A 22 VAL HGx% A 23 ASN HD2x 1.0 2.0 5.6 158 139 A 14 PHE HA A 14 PHE HE% 1.0 0.0 6.0 159 140 A 15 CYS HA A 14 PHE HE% 1.0 1.9 4.9 160 141 A 3 CYS HA A 14 PHE HE% 1.0 1.8 4.2 161 142 A 3 CYS HA A 14 PHE HZ 1.0 2.0 5.6 162 143 A 15 CYS HA A 14 PHE HZ 1.0 1.8 6.0 163 144 A 14 PHE HE% A 11 CYS HA 1.0 1.8 3.6 164 145 A 14 PHE HZ A 14 PHE HBx 1.0 0.0 6.0 165 146 A 14 PHE HZ A 14 PHE HBy 1.0 0.0 6.0 166 147 A 14 PHE HE% A 14 PHE HBy 1.0 0.0 6.0 167 148 A 14 PHE HE% A 14 PHE HBx 1.0 0.0 6.0 168 149 A 14 PHE HZ A 3 CYS HBx 1.0 2.0 6.0 169 150 A 14 PHE HE% A 3 CYS HBx 1.0 1.9 4.5 170 151 A 3 CYS HBy A 14 PHE HE% 1.0 2.0 5.8 171 152 A 14 PHE HBy A 14 PHE HD% 1.0 1.9 3.7 172 153 A 21 TRP HBx A 21 TRP HD1 1.0 1.7 3.1 173 154 A 21 TRP HBy A 21 TRP HD1 1.0 2.0 5.2 174 155 A 21 TRP HA A 21 TRP HE3 1.0 1.9 4.9 175 156 A 22 VAL HA A 21 TRP HE3 1.0 2.0 6.0 176 157 A 19 VAL HG21 A 21 TRP HE3 1.0 1.9 4.9 177 158 A 19 VAL HG11 A 21 TRP HE3 1.0 2.0 6.0 178 159 A 19 VAL HG11 A 21 TRP HD1 1.0 2.0 5.4 179 160 A 19 VAL HG21 A 21 TRP HD1 1.0 2.0 5.2 180 161 A 21 TRP HE1 A 21 TRP HD1 1.0 1.8 3.6 181 162 A 21 TRP HE1 A 21 TRP HZ2 1.0 1.9 3.9 182 163 A 2 SER H A 14 PHE HZ 1.0 2.0 5.4 183 164 A 2 SER H A 14 PHE HE% 1.0 2.0 5.0 184 165 A 9 LEU H A 8 ASP H 1.0 1.8 3.8 185 166 A 3 CYS H A 4 THR H 1.0 1.9 4.7 186 167 A 12 MET H A 11 CYS H 1.0 1.7 3.1 187 168 A 10 GLU H A 11 CYS H 1.0 1.8 3.4 188 169 A 14 PHE H A 13 ASN H 1.0 1.7 3.1 189 170 A 9 LEU H A 10 GLU H 1.0 1.8 3.4 190 171 A 23 ASN H A 22 VAL H 1.0 1.9 4.3 191 172 A 21 TRP H A 20 ILE H 1.0 1.8 3.8 192 173 A 21 TRP H A 21 TRP HE3 1.0 1.9 4.5 193 174 A 21 TRP H A 21 TRP HD1 1.0 1.8 4.0 194 175 A 12 MET H A 13 ASN H 1.0 1.8 3.4 195 176 A 7 SER H A 6 MET H 1.0 2.0 6.0 196 177 A 20 ILE H A 19 VAL H 1.0 2.0 5.4 197 178 A 17 LYS H A 16 HIS H 1.0 1.7 3.3 198 179 A 13 ASN H A 13 ASN HD2y 1.0 2.0 6.0 199 180 A 13 ASN H A 13 ASN HD2x 1.0 1.9 6.0 200 181 A 21 TRP HE3 A 21 TRP HZ3 1.0 1.6 2.8 201 182 A 21 TRP HZ3 A 21 TRP HH2 1.0 1.7 2.9 202 183 A 22 VAL H A 21 TRP HD1 1.0 0.0 6.0 203 184 A 7 SER HA A 7 SER HBy 1.0 1.7 2.9 204 185 A 7 SER HA A 7 SER HBx 1.0 1.7 3.5 205 186 A 3 CYS HA A 4 THR HA 1.0 2.0 5.8 206 187 A 3 CYS HA A 3 CYS HBy 1.0 1.8 3.6 207 188 A 3 CYS HA A 11 CYS HBy 1.0 2.0 5.4 208 188 A 3 CYS HA A 11 CYS HBx 1.0 2.0 5.4 209 189 A 16 HIS HBx A 16 HIS HA 1.0 1.6 2.8 210 189 A 16 HIS HBy A 16 HIS HA 1.0 1.6 2.8 211 190 A 10 GLU HA A 10 GLU HGx 1.0 1.7 2.9 212 190 A 10 GLU HA A 10 GLU HGy 1.0 1.7 2.9 213 191 A 6 MET HA A 6 MET HGx 1.0 1.8 3.4 214 192 A 6 MET HA A 6 MET HGy 1.0 1.9 4.1 215 193 A 16 HIS HBy A 12 MET HA 1.0 1.8 3.8 216 193 A 16 HIS HBx A 12 MET HA 1.0 1.8 3.8 217 194 A 13 ASN HBy A 13 ASN HA 1.0 1.6 2.8 218 194 A 13 ASN HBx A 13 ASN HA 1.0 1.6 2.8 219 195 A 8 ASP HA A 11 CYS HBy 1.0 1.6 3.0 220 195 A 8 ASP HA A 11 CYS HBx 1.0 1.6 3.0 221 196 A 16 HIS HBy A 13 ASN HA 1.0 1.8 4.2 222 196 A 16 HIS HBx A 13 ASN HA 1.0 1.8 4.2 223 197 A 1 CYS HA A 1 CYS HBy 1.0 1.6 2.8 224 198 A 8 ASP HBy A 8 ASP HA 1.0 1.9 3.7 225 199 A 8 ASP HBx A 8 ASP HA 1.0 1.8 3.6 226 200 A 14 PHE HA A 14 PHE HBx 1.0 1.8 3.6 227 201 A 23 ASN HBx A 23 ASN HA 1.0 1.8 3.8 228 202 A 6 MET HA A 6 MET HBx 1.0 1.8 3.4 229 203 A 6 MET HA A 6 MET HBy 1.0 1.6 3.0 230 204 A 10 GLU HBx A 10 GLU HA 1.0 1.6 3.0 231 205 A 9 LEU HG A 9 LEU HA 1.0 1.7 3.1 232 206 A 20 ILE HA A 20 ILE HB 1.0 1.7 3.1 233 207 A 17 LYS HBx A 17 LYS HA 1.0 1.9 3.7 234 208 A 19 VAL HA A 19 VAL HB 1.0 1.7 3.3 235 209 A 4 THR HA A 4 THR HG2% 1.0 1.7 3.1 236 210 A 9 LEU HD21 A 9 LEU HA 1.0 1.9 4.1 237 211 A 9 LEU HD11 A 9 LEU HA 1.0 1.7 3.1 238 212 A 22 VAL HGx% A 22 VAL HA 1.0 1.8 3.4 239 212 A 22 VAL HA A 22 VAL HGy% 1.0 1.8 3.4 240 213 A 19 VAL HG21 A 19 VAL HA 1.0 1.7 3.5 241 214 A 19 VAL HA A 19 VAL HG11 1.0 1.6 3.0 242 215 A 17 LYS HA A 17 LYS HGy 1.0 1.8 3.8 243 215 A 17 LYS HA A 17 LYS HGx 1.0 1.8 3.8 244 216 A 12 MET HA A 11 CYS HBx 1.0 1.9 4.1 245 216 A 12 MET HA A 11 CYS HBy 1.0 1.9 4.1 246 217 A 1 CYS HA A 1 CYS HBx 1.0 1.7 3.3 247 218 A 14 PHE HA A 14 PHE HBy 1.0 1.7 2.9 248 219 A 14 PHE HA A 15 CYS HBy 1.0 0.0 6.0 249 220 A 23 ASN HBy A 23 ASN HA 1.0 1.7 3.1 250 221 A 3 CYS HBy A 3 CYS HBx 1.0 1.5 2.3 251 222 A 1 CYS HBy A 1 CYS HBx 1.0 1.5 2.5 252 223 A 18 ASP HBx A 18 ASP HBy 1.0 1.4 2.4 253 224 A 23 ASN HBx A 23 ASN HBy 1.0 1.4 2.2 254 225 A 20 ILE HA A 20 ILE HG21 1.0 1.7 3.1 255 226 A 20 ILE HA A 20 ILE HG12 1.0 1.9 4.7 256 227 A 24 ARG HA A 24 ARG HBy 1.0 1.7 3.1 257 228 A 17 LYS HBy A 17 LYS HA 1.0 1.6 3.0 258 229 A 3 CYS HBx A 6 MET HBx 1.0 0.0 6.0 259 230 A 14 PHE HBx A 6 MET HE% 1.0 1.9 4.5 260 231 A 6 MET HBx A 6 MET HBy 1.0 1.4 2.2 261 232 A 12 MET HGy A 12 MET HBx 1.0 1.6 2.8 262 233 A 6 MET HGx A 6 MET HGy 1.0 1.5 2.5 263 234 A 16 HIS HBx A 19 VAL HG21 1.0 1.9 4.1 264 234 A 16 HIS HBy A 19 VAL HG21 1.0 1.9 4.1 265 235 A 18 ASP HBx A 19 VAL HG11 1.0 2.0 6.0 266 236 A 21 TRP HBx A 19 VAL HG11 1.0 2.0 5.6 267 237 A 16 HIS HBx A 19 VAL HG11 1.0 2.0 5.6 268 237 A 16 HIS HBy A 19 VAL HG11 1.0 2.0 5.6 269 238 A 4 THR HG2% A 5 ASP HBy 1.0 1.9 4.3 270 239 A 19 VAL HG11 A 19 VAL HB 1.0 1.7 3.1 271 240 A 20 ILE HB A 20 ILE HD1% 1.0 1.5 2.7 272 240 A 20 ILE HB A 20 ILE HG21 1.0 1.5 2.7 273 241 A 20 ILE HG13 A 20 ILE HG12 1.0 1.5 2.3 274 242 A 20 ILE HG12 A 20 ILE HG21 1.0 1.7 2.9 275 242 A 20 ILE HG12 A 20 ILE HD1% 1.0 1.7 2.9 276 243 A 22 VAL HGx% A 21 TRP HA 1.0 2.0 4.4 277 243 A 21 TRP HA A 22 VAL HGy% 1.0 2.0 4.4 278 244 A 18 ASP HA A 19 VAL HG11 1.0 1.9 5.5 279 245 A 3 CYS HBy A 6 MET HBy 1.0 2.0 5.6 280 246 A 24 ARG HA A 24 ARG HBx 1.0 1.7 3.3 281 247 A 24 ARG HA A 24 ARG HGx 1.0 2.0 6.0 282 247 A 24 ARG HA A 24 ARG HGy 1.0 2.0 6.0 283 248 A 1 CYS HA A 2 SER HBy 1.0 2.0 5.6 284 249 A 18 ASP HA A 19 VAL HA 1.0 2.0 5.4 285 250 A 21 TRP HA A 22 VAL HA 1.0 2.0 6.0 286 251 A 3 CYS HA A 4 THR HG2% 1.0 2.0 6.0 287 252 A 16 HIS H A 13 ASN HA 1.0 2.0 4.8 288 253 A 19 VAL HB A 21 TRP HE1 1.0 1.7 6.0 289 254 A 21 TRP HBy A 21 TRP HE1 1.0 1.4 6.0 290 255 A 12 MET H A 11 CYS HA 1.0 1.8 4.0 291 256 A 11 CYS HBy A 11 CYS H 1.0 1.7 3.1 292 256 A 11 CYS HBx A 11 CYS H 1.0 1.7 3.1 293 257 A 11 CYS HBy A 10 GLU H 1.0 1.9 6.0 294 257 A 11 CYS HBx A 10 GLU H 1.0 1.9 6.0 295 258 A 19 VAL HG21 A 16 HIS HD2 1.0 2.0 6.0 296 259 A 10 GLU HBy A 13 ASN HD2y 1.0 2.0 6.0 297 260 A 21 TRP HA A 21 TRP HBy 1.0 1.8 3.8 298 261 A 12 MET HGy A 11 CYS HBx 1.0 2.0 5.4 299 261 A 12 MET HGy A 11 CYS HBy 1.0 2.0 5.4 300 262 A 23 ASN HBx A 22 VAL HGy% 1.0 2.0 6.0 301 263 A 13 ASN HBx A 9 LEU HD21 1.0 2.0 6.0 302 263 A 13 ASN HBy A 9 LEU HD21 1.0 2.0 6.0 303 264 A 11 CYS H A 6 MET HBx 1.0 1.7 6.0 304 265 A 21 TRP H A 20 ILE HG21 1.0 1.8 3.6 305 266 A 4 THR HG2% A 5 ASP HBx 1.0 1.9 4.5 306 267 A 13 ASN H A 11 CYS HA 1.0 2.0 6.0 307 268 A 15 CYS HBx A 14 PHE HE% 1.0 2.0 6.0 308 269 A 3 CYS HA A 6 MET HE% 1.0 1.8 4.0 309 270 A 3 CYS HA A 6 MET HBx 1.0 2.0 6.0 310 271 A 3 CYS HBy A 6 MET HE% 1.0 2.0 5.4 311 272 A 14 PHE HBy A 6 MET HE% 1.0 1.9 4.3 312 273 A 21 TRP HBy A 20 ILE HG21 1.0 2.0 6.0 313 274 A 21 TRP HBx A 20 ILE HG21 1.0 1.9 4.7 314 275 A 20 ILE HG21 A 18 ASP HBy 1.0 0.0 6.0 315 275 A 18 ASP HBy A 20 ILE HD1% 1.0 0.0 6.0 316 276 A 18 ASP HBx A 20 ILE HG21 1.0 2.0 6.0 317 276 A 18 ASP HBx A 20 ILE HD1% 1.0 2.0 6.0 318 277 A 4 THR HG2% A 5 ASP H 1.0 1.9 4.3 319 278 A 5 ASP HBx A 5 ASP H 1.0 1.9 4.3 320 279 A 5 ASP HBy A 5 ASP H 1.0 2.0 5.0 321 280 A 5 ASP H A 5 ASP HA 1.0 1.7 3.3 322 281 A 4 THR HA A 5 ASP H 1.0 1.7 3.1 323 282 A 4 THR HB A 5 ASP H 1.0 2.0 5.6 324 283 A 7 SER HA A 8 ASP H 1.0 1.8 3.4 325 284 A 8 ASP HA A 8 ASP H 1.0 1.9 4.1 326 285 A 7 SER HBy A 8 ASP H 1.0 1.9 4.1 327 286 A 2 SER HBy A 3 CYS H 1.0 1.9 4.5 328 286 A 2 SER HBx A 3 CYS H 1.0 1.9 4.5 329 287 A 2 SER HA A 3 CYS H 1.0 1.6 2.8 330 288 A 8 ASP H A 7 SER HBx 1.0 1.9 4.7 331 289 A 8 ASP HBx A 8 ASP H 1.0 1.8 4.0 332 290 A 8 ASP HBy A 8 ASP H 1.0 1.9 4.5 333 291 A 3 CYS H A 3 CYS HBx 1.0 1.8 3.6 334 292 A 3 CYS H A 11 CYS HBy 1.0 2.0 5.4 335 292 A 3 CYS H A 11 CYS HBx 1.0 2.0 5.4 336 293 A 11 CYS HA A 11 CYS H 1.0 1.8 3.8 337 294 A 10 GLU HA A 11 CYS H 1.0 1.9 4.3 338 295 A 8 ASP HA A 11 CYS H 1.0 1.9 4.7 339 296 A 15 CYS H A 11 CYS HA 1.0 1.9 4.1 340 297 A 15 CYS H A 13 ASN HA 1.0 2.0 5.6 341 298 A 15 CYS H A 12 MET HA 1.0 1.9 4.3 342 299 A 14 PHE HA A 14 PHE H 1.0 1.7 3.3 343 300 A 14 PHE H A 13 ASN HA 1.0 1.9 3.9 344 301 A 14 PHE H A 11 CYS HA 1.0 2.0 5.0 345 302 A 9 LEU H A 8 ASP HA 1.0 1.8 3.6 346 303 A 9 LEU H A 9 LEU HA 1.0 1.8 3.6 347 304 A 9 LEU H A 7 SER HA 1.0 1.9 5.5 348 305 A 9 LEU H A 7 SER HBy 1.0 2.0 5.0 349 306 A 23 ASN H A 22 VAL HA 1.0 1.7 2.9 350 307 A 12 MET H A 9 LEU HA 1.0 1.9 3.9 351 308 A 7 SER H A 7 SER HBx 1.0 1.7 3.1 352 309 A 2 SER HA A 4 THR H 1.0 2.0 5.6 353 310 A 17 LYS H A 13 ASN HA 1.0 2.0 5.6 354 311 A 6 MET HA A 6 MET H 1.0 1.8 3.6 355 312 A 6 MET H A 5 ASP HA 1.0 1.8 3.4 356 313 A 14 PHE HA A 16 HIS H 1.0 2.0 6.0 357 314 A 12 MET HA A 16 HIS H 1.0 1.9 3.9 358 315 A 10 GLU HA A 10 GLU H 1.0 1.7 3.3 359 316 A 7 SER HBy A 10 GLU H 1.0 2.0 6.0 360 317 A 10 GLU HBx A 11 CYS H 1.0 1.8 3.6 361 318 A 10 GLU HBy A 11 CYS H 1.0 2.0 5.0 362 319 A 15 CYS H A 15 CYS HBx 1.0 1.6 2.8 363 320 A 14 PHE H A 14 PHE HBy 1.0 1.7 3.1 364 320 A 14 PHE H A 14 PHE HBx 1.0 1.7 3.1 365 321 A 18 ASP H A 18 ASP HBy 1.0 1.9 3.9 366 322 A 23 ASN H A 21 TRP HBy 1.0 1.9 4.7 367 323 A 10 GLU HBy A 7 SER H 1.0 1.8 3.6 368 324 A 3 CYS HBy A 4 THR H 1.0 1.9 4.7 369 325 A 4 THR H A 3 CYS HBx 1.0 2.0 5.8 370 326 A 6 MET HGy A 4 THR H 1.0 2.0 5.8 371 327 A 6 MET HGx A 4 THR H 1.0 1.9 6.0 372 328 A 6 MET HGy A 6 MET H 1.0 2.0 4.4 373 329 A 6 MET HGx A 6 MET H 1.0 2.0 5.0 374 330 A 6 MET H A 6 MET HBy 1.0 1.9 4.3 375 331 A 15 CYS HBx A 16 HIS H 1.0 1.9 3.9 376 332 A 18 ASP HBx A 19 VAL H 1.0 1.9 4.5 377 333 A 11 CYS HBx A 13 ASN H 1.0 2.0 6.0 378 333 A 11 CYS HBy A 13 ASN H 1.0 2.0 6.0 379 334 A 21 TRP HBx A 22 VAL H 1.0 2.0 5.4 380 335 A 10 GLU HBx A 10 GLU H 1.0 1.7 3.1 381 336 A 10 GLU H A 10 GLU HGx 1.0 2.0 5.0 382 336 A 10 GLU H A 10 GLU HGy 1.0 2.0 5.0 383 337 A 18 ASP H A 19 VAL HG11 1.0 0.0 6.0 384 338 A 9 LEU H A 9 LEU HBx 1.0 1.6 3.0 385 338 A 9 LEU H A 9 LEU HBy 1.0 1.6 3.0 386 339 A 9 LEU H A 10 GLU HBx 1.0 2.0 6.0 387 340 A 23 ASN H A 22 VAL HGy% 1.0 1.9 4.5 388 341 A 7 SER H A 6 MET HBx 1.0 1.8 4.0 389 342 A 22 VAL HGx% A 21 TRP H 1.0 2.0 5.8 390 342 A 21 TRP H A 22 VAL HGy% 1.0 2.0 5.8 391 343 A 21 TRP H A 19 VAL HG11 1.0 2.0 5.6 392 344 A 21 TRP H A 20 ILE HG12 1.0 1.9 4.9 393 345 A 21 TRP H A 19 VAL HB 1.0 2.0 6.0 394 346 A 20 ILE H A 19 VAL HB 1.0 1.9 4.3 395 347 A 6 MET H A 6 MET HBx 1.0 1.8 3.4 396 348 A 19 VAL HG21 A 19 VAL H 1.0 1.7 3.3 397 349 A 17 LYS HGx A 19 VAL H 1.0 2.0 6.0 398 350 A 17 LYS HBx A 19 VAL H 1.0 0.0 6.0 399 351 A 9 LEU HD11 A 13 ASN H 1.0 1.6 6.0 400 352 A 9 LEU HG A 13 ASN H 1.0 1.6 6.0 401 353 A 13 ASN H A 9 LEU HBx 1.0 1.7 6.0 402 353 A 13 ASN H A 9 LEU HBy 1.0 1.7 6.0 403 354 A 20 ILE HG21 A 22 VAL H 1.0 2.0 4.8 404 355 A 10 GLU H A 9 LEU HBx 1.0 1.9 4.1 405 355 A 9 LEU HBy A 10 GLU H 1.0 1.9 4.1 406 356 A 9 LEU HD21 A 10 GLU H 1.0 1.2 6.0 407 357 A 9 LEU HD11 A 10 GLU H 1.0 1.0 6.0 408 358 A 9 LEU HBy A 13 ASN HD2y 1.0 2.0 6.0 409 359 A 9 LEU HD11 A 13 ASN HD2x 1.0 1.9 6.0 410 360 A 14 PHE HZ A 14 PHE HBx 1.0 0.0 6.0 411 360 A 14 PHE HZ A 14 PHE HBy 1.0 0.0 6.0 412 361 A 14 PHE HE% A 6 MET HE% 1.0 1.7 3.3 413 361 A 14 PHE HD% A 6 MET HE% 1.0 1.7 3.3 414 362 A 14 PHE HZ A 6 MET HE% 1.0 2.0 4.6 415 363 A 21 TRP HBy A 21 TRP HE3 1.0 1.8 3.6 416 364 A 21 TRP HBx A 21 TRP HE3 1.0 2.0 5.8 417 365 A 20 ILE HG21 A 21 TRP HE3 1.0 2.0 6.0 418 366 A 20 ILE HG21 A 21 TRP HD1 1.0 2.0 5.8 419 367 A 19 VAL HG21 A 21 TRP HZ3 1.0 2.0 6.0 420 368 A 4 THR H A 5 ASP H 1.0 1.8 4.2 421 369 A 6 MET H A 5 ASP H 1.0 1.8 4.0 422 370 A 2 SER H A 3 CYS H 1.0 1.9 4.7 423 371 A 7 SER H A 8 ASP H 1.0 1.8 4.0 424 372 A 15 CYS H A 16 HIS H 1.0 1.6 2.8 425 373 A 18 ASP H A 17 LYS H 1.0 1.8 3.4 426 374 A 18 ASP H A 19 VAL H 1.0 1.7 3.5 427 375 A 15 CYS H A 17 LYS H 1.0 1.8 4.2 428 376 A 21 TRP H A 22 VAL H 1.0 1.7 3.5 429 377 A 23 ASN HD2y A 23 ASN HD2x 1.0 1.5 2.3 430 378 A 13 ASN HD2y A 13 ASN HD2x 1.0 1.5 2.3 431 379 A 25 ASN HD2y A 25 ASN HD2x 1.0 1.5 2.3 432 380 A 2 SER HA A 2 SER HBy 1.0 1.7 3.3 433 380 A 2 SER HA A 2 SER HBx 1.0 1.7 3.3 434 381 A 7 SER HBy A 7 SER HBx 1.0 1.4 2.2 435 382 A 4 THR HB A 4 THR HA 1.0 1.6 2.8 436 383 A 16 HIS HBx A 12 MET HA 1.0 1.9 3.9 437 384 A 3 CYS HA A 3 CYS HBx 1.0 1.7 3.3 438 385 A 5 ASP HBy A 5 ASP HA 1.0 1.8 3.6 439 386 A 14 PHE HA A 14 PHE HBx 1.0 1.8 3.4 440 386 A 14 PHE HA A 14 PHE HBy 1.0 1.8 3.4 441 387 A 11 CYS HBy A 11 CYS HA 1.0 1.5 2.7 442 387 A 11 CYS HBx A 11 CYS HA 1.0 1.5 2.7 443 388 A 18 ASP HBx A 17 LYS HA 1.0 2.0 6.0 444 389 A 17 LYS HA A 18 ASP HBy 1.0 2.0 6.0 445 390 A 4 THR HB A 4 THR HG2% 1.0 1.6 2.8 446 391 A 12 MET HBx A 13 ASN HA 1.0 2.0 5.2 447 392 A 13 ASN HBx A 10 GLU HA 1.0 1.6 2.8 448 392 A 13 ASN HBy A 10 GLU HA 1.0 1.6 2.8 449 393 A 12 MET HA A 15 CYS HBx 1.0 1.9 3.9 450 394 A 12 MET HA A 12 MET HGy 1.0 1.8 3.8 451 395 A 12 MET HGy A 9 LEU HA 1.0 2.0 5.2 452 396 A 15 CYS HBy A 15 CYS HBx 1.0 1.4 2.4 453 397 A 5 ASP HBy A 5 ASP HBx 1.0 1.6 2.6 454 398 A 6 MET HGx A 10 GLU HGy 1.0 1.7 3.5 455 398 A 6 MET HGx A 10 GLU HGx 1.0 1.7 3.5 456 399 A 12 MET HGx A 11 CYS HBx 1.0 1.8 3.6 457 399 A 12 MET HGx A 11 CYS HBy 1.0 1.8 3.6 458 400 A 12 MET HGy A 11 CYS HBy 1.0 1.9 4.3 459 401 A 6 MET HGx A 6 MET HBx 1.0 1.7 3.1 460 402 A 6 MET HGy A 6 MET HBx 1.0 1.7 3.3 461 403 A 10 GLU HBy A 10 GLU HGx 1.0 1.6 2.8 462 403 A 10 GLU HBy A 10 GLU HGy 1.0 1.6 2.8 463 404 A 12 MET HGy A 12 MET HBy 1.0 1.8 3.4 464 405 A 11 CYS HBy A 6 MET HBx 1.0 1.9 4.1 465 405 A 11 CYS HBx A 6 MET HBx 1.0 1.9 4.1 466 406 A 20 ILE HA A 20 ILE HG13 1.0 1.8 3.6 467 407 A 20 ILE HA A 19 VAL HG11 1.0 2.0 6.0 468 408 A 9 LEU HBy A 9 LEU HA 1.0 1.6 2.8 469 408 A 9 LEU HA A 9 LEU HBx 1.0 1.6 2.8 470 409 A 20 ILE HB A 19 VAL HA 1.0 2.0 5.6 471 410 A 12 MET HA A 12 MET HBx 1.0 1.6 3.0 472 411 A 3 CYS HBy A 6 MET HBx 1.0 1.8 4.2 473 412 A 11 CYS HBy A 10 GLU HBx 1.0 2.0 4.6 474 412 A 11 CYS HBx A 10 GLU HBx 1.0 2.0 4.6 475 413 A 12 MET HBy A 11 CYS HBx 1.0 2.0 6.0 476 413 A 12 MET HBy A 11 CYS HBy 1.0 2.0 6.0 477 414 A 12 MET HGx A 12 MET HBx 1.0 1.7 3.1 478 415 A 12 MET HGx A 12 MET HBy 1.0 1.5 2.7 479 416 A 22 VAL HGx% A 21 TRP HBy 1.0 2.0 5.4 480 416 A 21 TRP HBy A 22 VAL HGy% 1.0 2.0 5.4 481 417 A 22 VAL HGx% A 21 TRP HBx 1.0 2.0 5.4 482 417 A 21 TRP HBx A 22 VAL HGy% 1.0 2.0 5.4 483 418 A 23 ASN HBy A 22 VAL HGy% 1.0 2.0 5.6 484 419 A 18 ASP HBx A 20 ILE HD1% 1.0 1.9 6.0 485 420 A 21 TRP HBy A 19 VAL HG11 1.0 1.7 6.0 486 421 A 19 VAL HG11 A 18 ASP HBy 1.0 1.7 6.0 487 422 A 19 VAL HG21 A 18 ASP HBy 1.0 2.0 5.2 488 423 A 18 ASP HBy A 20 ILE HD1% 1.0 0.0 6.0 489 424 A 20 ILE HB A 20 ILE HG21 1.0 1.6 2.8 490 425 A 20 ILE HG13 A 20 ILE HG21 1.0 1.5 2.5 491 425 A 20 ILE HG13 A 20 ILE HD1% 1.0 1.5 2.5 492 426 A 11 CYS HA A 14 PHE HBy 1.0 0.0 6.0 493 426 A 11 CYS HA A 14 PHE HBx 1.0 0.0 6.0 494 427 A 6 MET HGx A 3 CYS HBx 1.0 1.9 4.3 495 428 A 7 SER H A 6 MET HBy 1.0 0.0 6.0 496 429 A 6 MET HGy A 11 CYS H 1.0 1.5 6.0 497 430 A 15 CYS HBx A 14 PHE HD% 1.0 2.0 5.6 498 431 A 4 THR HA A 3 CYS HBx 1.0 2.0 6.0 499 432 A 6 MET HGy A 6 MET HE% 1.0 1.8 3.6 500 433 A 6 MET HGx A 6 MET HE% 1.0 1.7 3.3 501 434 A 6 MET HBy A 6 MET HE% 1.0 1.7 3.1 502 435 A 2 SER HBy A 4 THR HG2% 1.0 2.0 6.0 503 435 A 2 SER HBx A 4 THR HG2% 1.0 2.0 6.0 504 436 A 3 CYS HA A 6 MET HGy 1.0 1.9 6.0 505 437 A 3 CYS HA A 6 MET HGx 1.0 1.3 6.0 506 438 A 11 CYS HBy A 6 MET HGx 1.0 1.9 4.1 507 438 A 11 CYS HBx A 6 MET HGx 1.0 1.9 4.1 508 439 A 14 PHE HBy A 6 MET HE% 1.0 1.8 3.6 509 439 A 14 PHE HBx A 6 MET HE% 1.0 1.8 3.6 510 440 A 11 CYS HBy A 6 MET HE% 1.0 2.0 5.0 511 440 A 11 CYS HBx A 6 MET HE% 1.0 2.0 5.0 512 441 A 9 LEU HA A 12 MET HE% 1.0 2.0 4.6 513 442 A 9 LEU HD11 A 12 MET HE% 1.0 1.9 4.7 514 443 A 9 LEU HG A 12 MET HE% 1.0 2.0 5.2 515 444 A 9 LEU HBy A 12 MET HE% 1.0 2.0 6.0 516 444 A 9 LEU HBx A 12 MET HE% 1.0 2.0 6.0 517 445 A 6 MET HGx A 6 MET HBy 1.0 1.7 2.9 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 13 ASN H A 9 LEU O 1.0 1.55 2.25 2 2 A 14 PHE H A 10 GLU O 1.0 1.55 2.25 3 3 A 15 CYS H A 11 CYS O 1.0 1.55 2.25 4 4 A 9 LEU O A 13 ASN N 1.0 2.40 3.40 5 5 A 10 GLU O A 14 PHE N 1.0 2.40 3.40 6 6 A 11 CYS O A 15 CYS N 1.0 2.40 3.40 stop_ save_