data_nef_c30508_6efe 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 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 6EFE 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 1 26 CYS SG 1 10 CYS SG 1 22 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 GLY start . false 2 A 2 GLY middle . false 3 A 3 LEU middle . . 4 A 4 GLY middle . false 5 A 5 ARG middle . . 6 A 6 CYS middle -HG . 7 A 7 ILE middle . . 8 A 8 TYR middle . . 9 A 9 ASN middle . . 10 A 10 CYS middle -HG . 11 A 11 MET middle . . 12 A 12 ASN middle . . 13 A 13 SER middle . . 14 A 14 GLY middle . false 15 A 15 GLY middle . false 16 A 16 GLY middle . false 17 A 17 LEU middle . . 18 A 18 SER middle . . 19 A 19 PHE middle . . 20 A 20 ILE middle . . 21 A 21 GLN middle . . 22 A 22 CYS middle -HG . 23 A 23 LYS middle . . 24 A 24 THR middle . . 25 A 25 MET middle . . 26 A 26 CYS middle -HG . 27 A 27 TYR end . . 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 GLY H H 1 8.67 . A 2 GLY HAy H 1 4.06 . A 3 LEU H H 1 8.49 . A 3 LEU HA H 1 4.31 . A 3 LEU HBy H 1 1.65 . A 3 LEU HG H 1 0.88 . A 4 GLY H H 1 8.52 . A 4 GLY HAx H 1 3.84 . A 4 GLY HAy H 1 4.00 . A 5 ARG H H 1 8.21 . A 5 ARG HA H 1 4.21 . A 5 ARG HBy H 1 1.86 . A 5 ARG HDy H 1 3.19 . A 5 ARG HE H 1 7.20 . A 5 ARG HGy H 1 1.67 . A 6 CYS H H 1 8.14 . A 6 CYS HA H 1 4.23 . A 6 CYS HBx H 1 3.18 . A 6 CYS HBy H 1 3.28 . A 7 ILE H H 1 8.52 . A 7 ILE HA H 1 3.39 . A 7 ILE HB H 1 1.90 . A 7 ILE HD1% H 1 0.60 . A 7 ILE HG1x H 1 0.84 . A 7 ILE HG1y H 1 1.78 . A 7 ILE HG2% H 1 0.73 . A 8 TYR H H 1 8.33 . A 8 TYR HA H 1 4.08 . A 8 TYR HBx H 1 3.03 . A 8 TYR HBy H 1 3.14 . A 8 TYR HDx H 1 7.14 . A 8 TYR HEx H 1 6.82 . A 9 ASN H H 1 8.68 . A 9 ASN HA H 1 4.38 . A 9 ASN HBx H 1 2.83 . A 9 ASN HBy H 1 2.94 . A 9 ASN HD2y H 1 7.65 . A 9 ASN HD2x H 1 6.89 . A 10 CYS H H 1 8.31 . A 10 CYS HA H 1 4.08 . A 10 CYS HBx H 1 3.09 . A 10 CYS HBy H 1 3.22 . A 11 MET H H 1 8.80 . A 11 MET HA H 1 4.21 . A 11 MET HBy H 1 2.00 . A 11 MET HE% H 1 2.14 . A 11 MET HGx H 1 2.44 . A 11 MET HGy H 1 2.75 . A 12 ASN H H 1 7.65 . A 12 ASN HA H 1 4.58 . A 12 ASN HBx H 1 2.81 . A 12 ASN HBy H 1 2.97 . A 12 ASN HD2y H 1 6.87 . A 12 ASN HD2x H 1 6.50 . A 13 SER H H 1 7.51 . A 13 SER HA H 1 4.47 . A 13 SER HBy H 1 4.16 . A 14 GLY H H 1 8.40 . A 14 GLY HAx H 1 3.85 . A 14 GLY HAy H 1 4.22 . A 15 GLY H H 1 8.33 . A 15 GLY HAx H 1 3.81 . A 15 GLY HAy H 1 4.08 . A 16 GLY H H 1 8.49 . A 16 GLY HAx H 1 3.85 . A 16 GLY HAy H 1 3.94 . A 17 LEU H H 1 7.76 . A 17 LEU HA H 1 4.42 . A 17 LEU HBx H 1 1.51 . A 17 LEU HBy H 1 1.67 . A 17 LEU HDx% H 1 0.82 . A 17 LEU HDy% H 1 0.74 . A 17 LEU HG H 1 1.44 . A 18 SER H H 1 8.70 . A 18 SER HA H 1 4.54 . A 18 SER HBx H 1 4.04 . A 18 SER HBy H 1 4.41 . A 19 PHE H H 1 9.06 . A 19 PHE HA H 1 4.33 . A 19 PHE HBx H 1 3.02 . A 19 PHE HBy H 1 3.26 . A 19 PHE HDx H 1 7.22 . A 19 PHE HEx H 1 7.34 . A 20 ILE H H 1 8.19 . A 20 ILE HA H 1 3.65 . A 20 ILE HB H 1 1.88 . A 20 ILE HG1x H 1 1.40 . A 20 ILE HG1y H 1 1.60 . A 20 ILE HG2% H 1 0.94 . A 21 GLN H H 1 7.76 . A 21 GLN HA H 1 4.02 . A 21 GLN HBy H 1 1.88 . A 21 GLN HE2y H 1 7.48 . A 21 GLN HE2x H 1 6.48 . A 21 GLN HGy H 1 2.35 . A 22 CYS H H 1 8.52 . A 22 CYS HA H 1 4.44 . A 22 CYS HBx H 1 2.66 . A 22 CYS HBy H 1 2.88 . A 23 LYS H H 1 8.88 . A 23 LYS HA H 1 3.56 . A 23 LYS HBx H 1 1.52 . A 23 LYS HBy H 1 1.61 . A 23 LYS HDy H 1 1.32 . A 23 LYS HEy H 1 2.80 . A 23 LYS HGy H 1 1.19 . A 24 THR H H 1 7.63 . A 24 THR HA H 1 4.29 . A 24 THR HB H 1 3.95 . A 24 THR HG2% H 1 1.27 . A 25 MET H H 1 7.66 . A 25 MET HA H 1 4.24 . A 25 MET HBy H 1 2.21 . A 25 MET HE% H 1 2.01 . A 25 MET HGx H 1 2.57 . A 25 MET HGy H 1 2.64 . A 26 CYS H H 1 7.65 . A 26 CYS HA H 1 4.37 . A 26 CYS HBx H 1 2.97 . A 26 CYS HBy H 1 3.05 . A 27 TYR H H 1 7.65 . A 27 TYR HA H 1 4.87 . A 27 TYR HBx H 1 2.35 . A 27 TYR HBy H 1 2.81 . A 27 TYR HDx H 1 7.17 . A 27 TYR HEx H 1 6.79 . 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 GLY H A 2 GLY HAx 1.0 0.8 3.7 2 1 A 2 GLY HAy A 2 GLY H 1.0 0.8 3.7 3 2 A 2 GLY H A 3 LEU HG 1.0 1.8 5.0 4 3 A 2 GLY H A 1 GLY HAx 1.0 0.8 6.0 5 3 A 2 GLY H A 1 GLY HAy 1.0 0.8 6.0 6 4 A 3 LEU HA A 3 LEU H 1.0 1.8 3.5 7 5 A 3 LEU H A 3 LEU HBy 1.0 1.2 3.3 8 5 A 3 LEU H A 3 LEU HBx 1.0 1.2 3.3 9 6 A 3 LEU H A 2 GLY HAx 1.0 0.8 3.7 10 6 A 2 GLY HAy A 3 LEU H 1.0 0.8 3.7 11 7 A 3 LEU H A 3 LEU HD11 1.0 0.6 7.4 12 7 A 3 LEU H A 3 LEU HD21 1.0 0.6 7.4 13 8 A 4 GLY H A 4 GLY HAy 1.0 1.8 2.7 14 9 A 4 GLY H A 4 GLY HAx 1.0 1.8 2.7 15 10 A 3 LEU HBx A 4 GLY H 1.0 1.8 3.5 16 11 A 3 LEU HA A 4 GLY H 1.0 1.8 3.5 17 12 A 5 ARG HA A 5 ARG H 1.0 1.8 3.5 18 13 A 5 ARG H A 5 ARG HBy 1.0 1.2 3.3 19 13 A 5 ARG H A 5 ARG HBx 1.0 1.2 3.3 20 14 A 5 ARG H A 5 ARG HGx 1.0 0.8 6.0 21 14 A 5 ARG H A 5 ARG HGy 1.0 0.8 6.0 22 15 A 5 ARG H A 5 ARG HDx 1.0 0.8 6.0 23 15 A 5 ARG H A 5 ARG HDy 1.0 0.8 6.0 24 16 A 5 ARG H A 4 GLY HAy 1.0 1.8 3.5 25 17 A 5 ARG H A 4 GLY HAx 1.0 1.8 3.5 26 18 A 3 LEU HA A 5 ARG H 1.0 1.8 5.0 27 19 A 5 ARG HH2% A 8 TYR HBy 1.0 0.8 4.5 28 19 A 5 ARG HH1% A 8 TYR HBy 1.0 0.8 4.5 29 20 A 8 TYR HA A 5 ARG HH1% 1.0 0.8 4.5 30 20 A 5 ARG HH2% A 8 TYR HA 1.0 0.8 4.5 31 21 A 6 CYS HA A 6 CYS H 1.0 1.8 3.5 32 22 A 6 CYS H A 6 CYS HBy 1.0 1.8 3.5 33 23 A 6 CYS H A 6 CYS HBx 1.0 1.8 3.5 34 24 A 6 CYS H A 5 ARG HBy 1.0 1.8 3.5 35 25 A 5 ARG HA A 6 CYS H 1.0 1.8 3.5 36 26 A 6 CYS H A 4 GLY HAx 1.0 0.8 6.0 37 26 A 6 CYS H A 4 GLY HAy 1.0 0.8 6.0 38 27 A 7 ILE HA A 7 ILE H 1.0 1.8 3.5 39 28 A 7 ILE H A 7 ILE HB 1.0 1.8 2.7 40 29 A 7 ILE H A 7 ILE HG1y 1.0 1.8 2.7 41 30 A 7 ILE H A 7 ILE HG1x 1.0 1.8 3.5 42 31 A 7 ILE H A 7 ILE HG2% 1.0 0.8 4.5 43 32 A 7 ILE H A 7 ILE HD1% 1.0 0.8 4.5 44 33 A 6 CYS HA A 7 ILE H 1.0 1.8 3.5 45 34 A 7 ILE H A 6 CYS HBy 1.0 1.8 3.5 46 35 A 7 ILE H A 6 CYS HBx 1.0 1.8 3.5 47 36 A 8 TYR HA A 8 TYR H 1.0 1.8 3.5 48 37 A 8 TYR H A 8 TYR HBy 1.0 0.8 3.7 49 38 A 8 TYR H A 8 TYR HBx 1.0 1.8 3.5 50 39 A 7 ILE HB A 8 TYR H 1.0 1.8 3.5 51 40 A 8 TYR H A 7 ILE HG1y 1.0 1.8 5.0 52 41 A 8 TYR H A 7 ILE HG1x 1.0 1.8 5.0 53 42 A 8 TYR H A 9 ASN HBy 1.0 0.8 6.0 54 42 A 8 TYR H A 9 ASN HBx 1.0 0.8 6.0 55 43 A 9 ASN HA A 8 TYR HE% 1.0 0.6 7.4 56 44 A 8 TYR HA A 8 TYR HE% 1.0 0.2 7.0 57 45 A 8 TYR HE% A 8 TYR HBy 1.0 0.6 7.4 58 46 A 8 TYR HE% A 8 TYR HBx 1.0 0.6 7.4 59 47 A 9 ASN HA A 8 TYR HD% 1.0 0.6 5.9 60 48 A 8 TYR HA A 8 TYR HD% 1.0 0.6 5.9 61 49 A 8 TYR HD% A 8 TYR HBy 1.0 0.6 5.1 62 50 A 8 TYR HD% A 8 TYR HBx 1.0 0.6 5.1 63 51 A 8 TYR HD% A 9 ASN HBy 1.0 0.4 6.4 64 52 A 9 ASN HBx A 8 TYR HD% 1.0 0.4 6.4 65 53 A 8 TYR H A 8 TYR HD% 1.0 0.8 6.0 66 54 A 7 ILE HA A 8 TYR H 1.0 1.8 5.0 67 55 A 9 ASN HA A 9 ASN H 1.0 1.8 2.7 68 56 A 9 ASN H A 9 ASN HBy 1.0 1.8 3.5 69 57 A 9 ASN HBx A 9 ASN H 1.0 1.8 3.5 70 58 A 9 ASN H A 8 TYR HBy 1.0 1.8 3.5 71 59 A 9 ASN H A 8 TYR HBx 1.0 1.8 3.5 72 60 A 8 TYR HA A 9 ASN H 1.0 1.8 3.5 73 61 A 9 ASN HD2y A 9 ASN HBy 1.0 0.8 6.0 74 61 A 9 ASN HD2x A 9 ASN HBy 1.0 0.8 6.0 75 62 A 9 ASN HBx A 9 ASN HD2y 1.0 0.8 6.0 76 62 A 9 ASN HBx A 9 ASN HD2x 1.0 0.8 6.0 77 63 A 8 TYR HD% A 9 ASN H 1.0 0.6 5.9 78 64 A 9 ASN H A 9 ASN HD2y 1.0 1.8 5.0 79 65 A 9 ASN H A 9 ASN HD2x 1.0 1.8 5.0 80 66 A 5 ARG HA A 9 ASN H 1.0 1.8 3.5 81 67 A 10 CYS HA A 10 CYS H 1.0 1.8 2.7 82 68 A 10 CYS H A 10 CYS HBy 1.0 1.8 2.7 83 69 A 10 CYS H A 10 CYS HBx 1.0 1.8 2.7 84 70 A 9 ASN HA A 10 CYS H 1.0 1.8 3.5 85 71 A 9 ASN HBx A 10 CYS H 1.0 1.8 3.5 86 72 A 10 CYS H A 9 ASN HBy 1.0 1.8 5.0 87 73 A 7 ILE HA A 10 CYS H 1.0 1.8 3.5 88 74 A 11 MET HA A 11 MET H 1.0 1.8 3.5 89 75 A 11 MET H A 11 MET HGy 1.0 1.8 3.5 90 76 A 11 MET H A 11 MET HGx 1.0 1.8 3.5 91 77 A 11 MET H A 11 MET HBx 1.0 0.8 4.5 92 77 A 11 MET H A 11 MET HBy 1.0 0.8 4.5 93 78 A 11 MET H A 11 MET HE% 1.0 0.8 4.5 94 79 A 10 CYS HA A 11 MET H 1.0 1.8 3.5 95 80 A 7 ILE HA A 11 MET H 1.0 1.8 5.0 96 81 A 11 MET H A 10 CYS HBy 1.0 1.8 3.5 97 82 A 11 MET H A 10 CYS HBx 1.0 1.8 3.5 98 83 A 12 ASN HA A 12 ASN H 1.0 1.8 3.5 99 84 A 12 ASN H A 12 ASN HBy 1.0 1.8 3.5 100 85 A 12 ASN H A 12 ASN HBx 1.0 1.8 3.5 101 86 A 11 MET HA A 12 ASN H 1.0 1.8 3.5 102 87 A 8 TYR HA A 12 ASN H 1.0 1.8 3.5 103 88 A 16 GLY H A 16 GLY HAx 1.0 1.8 2.7 104 89 A 16 GLY H A 16 GLY HAy 1.0 1.8 2.7 105 90 A 16 GLY H A 14 GLY HAx 1.0 0.8 6.0 106 90 A 16 GLY H A 14 GLY HAy 1.0 0.8 6.0 107 91 A 13 SER HA A 13 SER H 1.0 1.8 2.7 108 92 A 13 SER H A 13 SER HBx 1.0 1.2 4.1 109 92 A 13 SER H A 13 SER HBy 1.0 1.2 4.1 110 93 A 12 ASN HA A 13 SER H 1.0 1.8 3.5 111 94 A 13 SER H A 12 ASN HD2x 1.0 0.8 4.5 112 94 A 13 SER H A 12 ASN HD2y 1.0 0.8 4.5 113 95 A 14 GLY HAy A 14 GLY H 1.0 1.8 2.7 114 96 A 14 GLY H A 14 GLY HAx 1.0 1.8 2.7 115 97 A 13 SER HA A 14 GLY H 1.0 1.8 3.5 116 98 A 14 GLY H A 15 GLY HAx 1.0 0.8 4.5 117 98 A 14 GLY H A 15 GLY HAy 1.0 0.8 4.5 118 99 A 15 GLY HAy A 15 GLY H 1.0 1.8 2.7 119 100 A 15 GLY H A 15 GLY HAx 1.0 0.8 3.7 120 101 A 14 GLY HAy A 15 GLY H 1.0 1.8 3.5 121 102 A 15 GLY H A 14 GLY HAx 1.0 1.8 3.5 122 103 A 13 SER HA A 15 GLY H 1.0 1.8 5.0 123 104 A 17 LEU HA A 17 LEU H 1.0 1.8 3.5 124 105 A 17 LEU H A 17 LEU HBy 1.0 1.2 4.1 125 105 A 17 LEU H A 17 LEU HBx 1.0 1.2 4.1 126 106 A 17 LEU H A 17 LEU HG 1.0 1.8 3.5 127 107 A 17 LEU H A 17 LEU HDx% 1.0 0.8 6.0 128 108 A 17 LEU H A 17 LEU HDy% 1.0 0.8 6.0 129 109 A 17 LEU H A 16 GLY HAx 1.0 0.8 4.5 130 109 A 17 LEU H A 16 GLY HAy 1.0 0.8 4.5 131 110 A 18 SER HA A 18 SER H 1.0 1.8 3.5 132 111 A 18 SER H A 18 SER HBx 1.0 1.8 2.7 133 112 A 18 SER H A 18 SER HBy 1.0 1.8 3.5 134 113 A 17 LEU HA A 18 SER H 1.0 1.8 3.5 135 114 A 18 SER H A 21 GLN HGx 1.0 0.8 4.5 136 114 A 18 SER H A 21 GLN HGy 1.0 0.8 4.5 137 115 A 18 SER H A 21 GLN HBx 1.0 0.8 6.0 138 115 A 18 SER H A 21 GLN HBy 1.0 0.8 6.0 139 116 A 17 LEU HG A 18 SER H 1.0 1.8 3.5 140 117 A 19 PHE HA A 19 PHE H 1.0 1.8 3.5 141 118 A 19 PHE H A 19 PHE HBy 1.0 1.8 3.5 142 119 A 19 PHE H A 19 PHE HBx 1.0 1.8 3.5 143 120 A 18 SER HA A 19 PHE H 1.0 0.8 2.7 144 121 A 19 PHE H A 18 SER HBy 1.0 1.8 3.5 145 122 A 19 PHE H A 18 SER HBx 1.0 1.8 3.5 146 123 A 19 PHE H A 19 PHE HD% 1.0 0.6 7.4 147 124 A 19 PHE HA A 19 PHE HD% 1.0 0.2 5.5 148 125 A 19 PHE HA A 19 PHE HE% 1.0 0.2 7.0 149 126 A 19 PHE HBy A 19 PHE HD% 1.0 0.6 5.9 150 127 A 19 PHE HBy A 19 PHE HE% 1.0 0.6 7.4 151 128 A 19 PHE HBx A 19 PHE HD% 1.0 0.4 4.9 152 129 A 19 PHE HBx A 19 PHE HE% 1.0 0.6 7.4 153 130 A 19 PHE HD% A 7 ILE HG1y 1.0 0.6 5.9 154 131 A 19 PHE HE% A 7 ILE HG1y 1.0 0.6 5.9 155 132 A 7 ILE HG2% A 19 PHE HD% 1.0 1.6 8.4 156 133 A 7 ILE HG2% A 19 PHE HE% 1.0 1.6 6.9 157 134 A 11 MET HE% A 19 PHE H 1.0 0.8 6.0 158 135 A 11 MET HE% A 19 PHE HD% 1.0 1.6 8.4 159 136 A 19 PHE HD% A 20 ILE HA 1.0 0.6 5.9 160 137 A 19 PHE HE% A 20 ILE HA 1.0 0.6 7.4 161 138 A 19 PHE HE% A 20 ILE HG1y 1.0 1.6 6.9 162 138 A 19 PHE HE% A 20 ILE HG1x 1.0 1.6 6.9 163 139 A 19 PHE HD% A 20 ILE HD11 1.0 1.6 8.4 164 140 A 19 PHE HE% A 20 ILE HD11 1.0 1.6 8.4 165 141 A 20 ILE HA A 20 ILE H 1.0 1.8 3.5 166 142 A 20 ILE H A 20 ILE HB 1.0 1.8 3.5 167 143 A 20 ILE H A 20 ILE HG1y 1.0 1.8 3.5 168 144 A 20 ILE HG1x A 20 ILE H 1.0 1.8 3.5 169 145 A 20 ILE HD11 A 20 ILE H 1.0 0.8 4.5 170 146 A 19 PHE HA A 20 ILE H 1.0 1.8 3.5 171 147 A 19 PHE HBy A 20 ILE H 1.0 1.8 3.5 172 148 A 19 PHE HBx A 20 ILE H 1.0 1.8 3.5 173 149 A 19 PHE HD% A 20 ILE H 1.0 0.6 7.4 174 150 A 18 SER HA A 20 ILE H 1.0 1.8 5.0 175 151 A 20 ILE H A 18 SER HBy 1.0 0.8 4.5 176 152 A 20 ILE H A 18 SER HBx 1.0 0.8 6.0 177 153 A 21 GLN HA A 21 GLN H 1.0 1.8 3.5 178 154 A 21 GLN H A 21 GLN HBx 1.0 1.2 4.1 179 154 A 21 GLN HBy A 21 GLN H 1.0 1.2 4.1 180 155 A 21 GLN H A 21 GLN HGx 1.0 0.8 3.7 181 155 A 21 GLN HGy A 21 GLN H 1.0 0.8 3.7 182 156 A 20 ILE HD11 A 21 GLN H 1.0 0.8 6.0 183 157 A 20 ILE HA A 21 GLN H 1.0 1.8 3.5 184 158 A 21 GLN HGy A 21 GLN HE2y 1.0 1.8 3.5 185 159 A 21 GLN HE2x A 21 GLN HGx 1.0 1.8 3.5 186 160 A 18 SER HA A 21 GLN H 1.0 1.8 5.0 187 161 A 22 CYS HA A 22 CYS H 1.0 1.8 3.5 188 162 A 22 CYS H A 22 CYS HBx 1.0 1.8 2.7 189 163 A 22 CYS H A 22 CYS HBy 1.0 1.8 3.5 190 164 A 22 CYS H A 21 GLN HGx 1.0 0.8 4.5 191 164 A 21 GLN HGy A 22 CYS H 1.0 0.8 4.5 192 165 A 21 GLN HA A 22 CYS H 1.0 0.8 4.5 193 166 A 22 CYS H A 10 CYS HBx 1.0 0.8 6.0 194 166 A 22 CYS H A 10 CYS HBy 1.0 0.8 6.0 195 167 A 23 LYS HA A 23 LYS H 1.0 1.8 3.5 196 168 A 23 LYS H A 23 LYS HBx 1.0 1.2 4.1 197 168 A 23 LYS H A 23 LYS HBy 1.0 1.2 4.1 198 169 A 23 LYS H A 23 LYS HGx 1.0 0.8 4.5 199 169 A 23 LYS H A 23 LYS HGy 1.0 0.8 4.5 200 170 A 23 LYS H A 23 LYS HDx 1.0 0.8 4.5 201 170 A 23 LYS H A 23 LYS HDy 1.0 0.8 4.5 202 171 A 22 CYS HA A 23 LYS H 1.0 1.8 5.0 203 172 A 20 ILE HA A 23 LYS H 1.0 1.8 3.5 204 173 A 23 LYS H A 22 CYS HBy 1.0 0.8 4.5 205 174 A 23 LYS H A 22 CYS HBx 1.0 0.8 4.5 206 175 A 19 PHE HA A 23 LYS H 1.0 1.8 3.5 207 176 A 24 THR HA A 24 THR H 1.0 1.8 3.5 208 177 A 24 THR H A 24 THR HB 1.0 1.8 3.7 209 178 A 24 THR H A 24 THR HG2% 1.0 0.8 4.5 210 178 A 24 THR H A 24 THR HG1 1.0 0.8 4.5 211 179 A 20 ILE HA A 24 THR H 1.0 1.8 5.0 212 180 A 23 LYS HA A 24 THR H 1.0 1.8 3.5 213 181 A 24 THR H A 23 LYS HBx 1.0 0.8 4.5 214 181 A 23 LYS HBy A 24 THR H 1.0 0.8 4.5 215 182 A 25 MET HA A 25 MET H 1.0 1.8 2.7 216 183 A 25 MET H A 25 MET HBx 1.0 1.2 3.3 217 183 A 25 MET H A 25 MET HBy 1.0 1.2 3.3 218 184 A 25 MET H A 25 MET HGy 1.0 1.8 3.5 219 185 A 25 MET H A 25 MET HGx 1.0 1.8 3.5 220 186 A 25 MET H A 25 MET HE% 1.0 0.8 6.0 221 187 A 24 THR HA A 25 MET H 1.0 1.8 3.5 222 188 A 22 CYS HA A 25 MET H 1.0 1.8 3.5 223 189 A 26 CYS HA A 26 CYS H 1.0 1.8 3.5 224 190 A 26 CYS H A 26 CYS HBy 1.0 1.8 3.5 225 191 A 26 CYS H A 26 CYS HBx 1.0 1.8 3.5 226 192 A 25 MET HA A 26 CYS H 1.0 1.8 3.5 227 193 A 27 TYR HA A 27 TYR H 1.0 1.8 3.5 228 194 A 27 TYR H A 27 TYR HBy 1.0 1.8 2.7 229 195 A 27 TYR H A 27 TYR HBx 1.0 1.8 2.7 230 196 A 27 TYR HD% A 27 TYR HE% 1.0 3.0 7.5 231 197 A 26 CYS HA A 27 TYR HD% 1.0 0.6 7.4 232 198 A 4 GLY H A 5 ARG H 1.0 1.8 3.5 233 199 A 5 ARG H A 6 CYS H 1.0 1.8 3.5 234 200 A 6 CYS H A 7 ILE H 1.0 1.8 3.5 235 201 A 7 ILE H A 8 TYR H 1.0 1.8 3.5 236 202 A 8 TYR H A 9 ASN H 1.0 1.8 3.5 237 203 A 9 ASN H A 10 CYS H 1.0 1.8 3.5 238 204 A 10 CYS H A 11 MET H 1.0 1.8 3.5 239 205 A 11 MET H A 12 ASN H 1.0 1.8 3.5 240 206 A 12 ASN H A 13 SER H 1.0 1.8 3.5 241 207 A 13 SER H A 14 GLY H 1.0 1.8 3.5 242 208 A 14 GLY H A 15 GLY H 1.0 1.8 3.5 243 209 A 16 GLY H A 15 GLY H 1.0 1.8 3.5 244 210 A 16 GLY H A 17 LEU H 1.0 1.8 3.5 245 211 A 17 LEU H A 18 SER H 1.0 1.8 3.5 246 212 A 19 PHE H A 20 ILE H 1.0 1.8 3.5 247 213 A 20 ILE H A 21 GLN H 1.0 1.8 3.5 248 214 A 21 GLN H A 22 CYS H 1.0 1.8 3.5 249 215 A 22 CYS H A 23 LYS H 1.0 1.8 3.5 250 216 A 23 LYS H A 24 THR H 1.0 1.8 3.5 251 217 A 2 GLY H A 4 GLY H 1.0 1.8 3.5 252 218 A 10 CYS H A 12 ASN H 1.0 1.8 5.0 253 219 A 11 MET H A 13 SER H 1.0 1.8 5.0 254 220 A 21 GLN H A 23 LYS H 1.0 1.8 5.0 255 221 A 22 CYS H A 26 CYS H 1.0 1.8 5.0 256 222 A 8 TYR H A 11 MET H 1.0 1.8 5.0 257 223 A 14 GLY HAy A 14 GLY HAx 1.0 1.8 2.7 258 224 A 15 GLY HAy A 15 GLY HAx 1.0 1.8 2.7 259 225 A 4 GLY HAy A 4 GLY HAx 1.0 1.8 2.7 260 226 A 16 GLY HAy A 16 GLY HAx 1.0 1.8 2.7 261 227 A 3 LEU HA A 3 LEU HBy 1.0 0.8 3.7 262 227 A 3 LEU HA A 3 LEU HBx 1.0 0.8 3.7 263 228 A 5 ARG HA A 5 ARG HBy 1.0 0.8 3.7 264 228 A 5 ARG HA A 5 ARG HBx 1.0 0.8 3.7 265 229 A 5 ARG HA A 8 TYR HBy 1.0 0.8 6.0 266 229 A 5 ARG HA A 8 TYR HBx 1.0 0.8 6.0 267 230 A 6 CYS HA A 6 CYS HBx 1.0 0.8 4.5 268 230 A 6 CYS HA A 6 CYS HBy 1.0 0.8 4.5 269 231 A 7 ILE HA A 7 ILE HB 1.0 1.8 3.5 270 232 A 8 TYR HA A 8 TYR HBy 1.0 0.8 4.5 271 232 A 8 TYR HA A 8 TYR HBx 1.0 0.8 4.5 272 233 A 10 CYS HA A 10 CYS HBx 1.0 0.8 6.0 273 233 A 10 CYS HA A 10 CYS HBy 1.0 0.8 6.0 274 234 A 10 CYS HA A 11 MET HBx 1.0 0.8 6.0 275 234 A 10 CYS HA A 11 MET HBy 1.0 0.8 6.0 276 235 A 11 MET HA A 11 MET HBx 1.0 0.8 4.5 277 235 A 11 MET HA A 11 MET HBy 1.0 0.8 4.5 278 236 A 12 ASN HA A 12 ASN HBy 1.0 1.8 3.5 279 237 A 12 ASN HA A 12 ASN HBx 1.0 1.8 3.5 280 238 A 17 LEU HA A 17 LEU HBy 1.0 0.8 4.5 281 238 A 17 LEU HA A 17 LEU HBx 1.0 0.8 4.5 282 239 A 19 PHE HA A 22 CYS HBx 1.0 0.8 6.0 283 239 A 19 PHE HA A 22 CYS HBy 1.0 0.8 6.0 284 240 A 19 PHE HA A 19 PHE HBy 1.0 1.8 3.5 285 241 A 19 PHE HA A 19 PHE HBx 1.0 1.8 3.5 286 242 A 20 ILE HA A 20 ILE HB 1.0 1.8 3.5 287 243 A 21 GLN HA A 21 GLN HBx 1.0 0.8 4.5 288 243 A 21 GLN HBy A 21 GLN HA 1.0 0.8 4.5 289 244 A 22 CYS HA A 22 CYS HBy 1.0 1.8 3.5 290 245 A 22 CYS HA A 22 CYS HBx 1.0 1.8 3.5 291 246 A 22 CYS HA A 25 MET HBx 1.0 0.8 4.5 292 246 A 22 CYS HA A 25 MET HBy 1.0 0.8 4.5 293 247 A 23 LYS HA A 23 LYS HBx 1.0 0.8 4.5 294 247 A 23 LYS HA A 23 LYS HBy 1.0 0.8 4.5 295 248 A 25 MET HA A 25 MET HBx 1.0 0.8 4.5 296 248 A 25 MET HA A 25 MET HBy 1.0 0.8 4.5 297 249 A 26 CYS HA A 26 CYS HBy 1.0 1.8 3.5 298 250 A 26 CYS HA A 26 CYS HBx 1.0 1.8 3.5 299 251 A 26 CYS HA A 27 TYR HBy 1.0 0.8 4.5 300 251 A 26 CYS HA A 27 TYR HBx 1.0 0.8 4.5 301 252 A 27 TYR HA A 27 TYR HBy 1.0 0.8 4.5 302 252 A 27 TYR HA A 27 TYR HBx 1.0 0.8 4.5 303 253 A 3 LEU HA A 7 ILE HG1y 1.0 1.8 5.0 304 254 A 5 ARG HA A 5 ARG HGx 1.0 1.2 4.1 305 254 A 5 ARG HA A 5 ARG HGy 1.0 1.2 4.1 306 255 A 7 ILE HA A 7 ILE HG1y 1.0 1.8 3.5 307 256 A 7 ILE HA A 7 ILE HG1x 1.0 1.8 3.5 308 257 A 7 ILE HA A 7 ILE HG2% 1.0 1.2 4.1 309 258 A 11 MET HA A 11 MET HGy 1.0 1.8 3.5 310 259 A 11 MET HA A 11 MET HGx 1.0 1.8 3.5 311 260 A 17 LEU HA A 17 LEU HG 1.0 1.8 3.5 312 261 A 20 ILE HA A 20 ILE HG1y 1.0 1.2 4.1 313 261 A 20 ILE HA A 20 ILE HG1x 1.0 1.2 4.1 314 262 A 20 ILE HA A 24 THR HG2% 1.0 0.8 6.0 315 262 A 20 ILE HA A 24 THR HG1 1.0 0.8 6.0 316 263 A 21 GLN HA A 21 GLN HGx 1.0 1.2 3.3 317 263 A 21 GLN HGy A 21 GLN HA 1.0 1.2 3.3 318 264 A 23 LYS HA A 23 LYS HGx 1.0 1.2 4.1 319 264 A 23 LYS HA A 23 LYS HGy 1.0 1.2 4.1 320 265 A 24 THR HA A 24 THR HG2% 1.0 1.2 3.3 321 265 A 24 THR HA A 24 THR HG1 1.0 1.2 3.3 322 266 A 3 LEU HA A 3 LEU HD11 1.0 0.1 5.2 323 266 A 3 LEU HA A 3 LEU HD21 1.0 0.1 5.2 324 267 A 5 ARG HA A 5 ARG HDx 1.0 0.8 6.0 325 267 A 5 ARG HA A 5 ARG HDy 1.0 0.8 6.0 326 268 A 7 ILE HA A 7 ILE HD1% 1.0 0.2 5.5 327 269 A 15 GLY HAy A 17 LEU HDy% 1.0 0.2 7.0 328 269 A 15 GLY HAx A 17 LEU HDy% 1.0 0.2 7.0 329 270 A 17 LEU HA A 17 LEU HDx% 1.0 0.8 4.5 330 271 A 17 LEU HA A 17 LEU HDy% 1.0 0.8 4.5 331 272 A 20 ILE HD11 A 20 ILE HB 1.0 0.8 4.5 332 273 A 20 ILE HD11 A 21 GLN HA 1.0 0.8 6.0 333 274 A 23 LYS HA A 23 LYS HDx 1.0 0.8 4.5 334 274 A 23 LYS HA A 23 LYS HDy 1.0 0.8 4.5 335 275 A 18 SER HA A 17 LEU HDx% 1.0 0.8 6.0 336 276 A 11 MET HA A 11 MET HE% 1.0 0.8 4.5 337 277 A 11 MET HE% A 18 SER HA 1.0 0.2 5.5 338 278 A 11 MET HE% A 19 PHE HA 1.0 0.2 5.5 339 279 A 19 PHE HBy A 19 PHE HBx 1.0 1.8 2.7 340 280 A 22 CYS HBy A 22 CYS HBx 1.0 1.8 2.7 341 281 A 27 TYR HBx A 27 TYR HBy 1.0 1.8 2.7 342 282 A 6 CYS HBx A 7 ILE HG1y 1.0 0.8 4.5 343 282 A 6 CYS HBy A 7 ILE HG1y 1.0 0.8 4.5 344 282 A 7 ILE HG1x A 6 CYS HBx 1.0 0.8 4.5 345 282 A 6 CYS HBy A 7 ILE HG1x 1.0 0.8 4.5 346 283 A 7 ILE HB A 7 ILE HG2% 1.0 0.8 4.5 347 284 A 7 ILE HB A 7 ILE HG1y 1.0 1.8 2.7 348 285 A 11 MET HGy A 11 MET HBx 1.0 0.8 4.5 349 285 A 11 MET HGy A 11 MET HBy 1.0 0.8 4.5 350 286 A 11 MET HGx A 11 MET HBx 1.0 0.8 4.5 351 286 A 11 MET HGx A 11 MET HBy 1.0 0.8 4.5 352 287 A 18 SER HBx A 21 GLN HGx 1.0 0.8 4.5 353 287 A 21 GLN HGy A 18 SER HBy 1.0 0.8 4.5 354 287 A 21 GLN HGy A 18 SER HBx 1.0 0.8 4.5 355 287 A 18 SER HBy A 21 GLN HGx 1.0 0.8 4.5 356 288 A 20 ILE HB A 20 ILE HG1y 1.0 0.8 4.5 357 288 A 20 ILE HG1x A 20 ILE HB 1.0 0.8 4.5 358 289 A 21 GLN HBy A 21 GLN HGx 1.0 0.2 4.7 359 289 A 21 GLN HBx A 21 GLN HGx 1.0 0.2 4.7 360 289 A 21 GLN HGy A 21 GLN HBx 1.0 0.2 4.7 361 289 A 21 GLN HGy A 21 GLN HBy 1.0 0.2 4.7 362 290 A 24 THR HB A 24 THR HG2% 1.0 0.8 4.5 363 290 A 24 THR HB A 24 THR HG1 1.0 0.8 4.5 364 291 A 23 LYS HGy A 23 LYS HBx 1.0 0.8 3.7 365 291 A 23 LYS HBx A 23 LYS HGx 1.0 0.8 3.7 366 292 A 23 LYS HBy A 23 LYS HGy 1.0 0.8 4.5 367 292 A 23 LYS HBy A 23 LYS HGx 1.0 0.8 4.5 368 293 A 25 MET HBy A 25 MET HGy 1.0 0.2 5.5 369 293 A 25 MET HGy A 25 MET HBx 1.0 0.2 5.5 370 294 A 25 MET HBx A 25 MET HGx 1.0 0.2 5.5 371 294 A 25 MET HBy A 25 MET HGx 1.0 0.2 5.5 372 295 A 3 LEU HBy A 3 LEU HD11 1.0 1.6 6.1 373 295 A 3 LEU HBx A 3 LEU HD11 1.0 1.6 6.1 374 295 A 3 LEU HD21 A 3 LEU HBy 1.0 1.6 6.1 375 295 A 3 LEU HBx A 3 LEU HD21 1.0 1.6 6.1 376 296 A 7 ILE HB A 7 ILE HD1% 1.0 0.8 4.5 377 297 A 17 LEU HDx% A 17 LEU HBy 1.0 1.6 6.9 378 297 A 17 LEU HBy A 17 LEU HDy% 1.0 1.6 6.9 379 298 A 17 LEU HBx A 17 LEU HDx% 1.0 1.6 6.9 380 298 A 17 LEU HBx A 17 LEU HDy% 1.0 1.6 6.9 381 299 A 17 LEU HDx% A 18 SER HBy 1.0 0.8 6.0 382 300 A 18 SER HBx A 17 LEU HDx% 1.0 0.8 4.5 383 301 A 21 GLN HBy A 17 LEU HDy% 1.0 0.2 7.0 384 301 A 17 LEU HDy% A 21 GLN HBx 1.0 0.2 7.0 385 302 A 20 ILE HD11 A 20 ILE HB 1.0 0.8 4.5 386 303 A 23 LYS HBx A 23 LYS HDx 1.0 0.2 4.7 387 303 A 23 LYS HBy A 23 LYS HDx 1.0 0.2 4.7 388 303 A 23 LYS HDy A 23 LYS HBx 1.0 0.2 4.7 389 303 A 23 LYS HBy A 23 LYS HDy 1.0 0.2 4.7 390 304 A 11 MET HE% A 11 MET HBx 1.0 0.2 4.7 391 304 A 11 MET HBy A 11 MET HE% 1.0 0.2 4.7 392 305 A 11 MET HE% A 18 SER HBy 1.0 0.2 7.0 393 305 A 11 MET HE% A 18 SER HBx 1.0 0.2 7.0 394 306 A 11 MET HE% A 19 PHE HBy 1.0 0.8 4.5 395 307 A 11 MET HE% A 19 PHE HBx 1.0 0.8 4.5 396 308 A 23 LYS HBy A 23 LYS HEx 1.0 0.2 7.0 397 308 A 23 LYS HEy A 23 LYS HBx 1.0 0.2 7.0 398 308 A 23 LYS HBy A 23 LYS HEy 1.0 0.2 7.0 399 308 A 23 LYS HBx A 23 LYS HEx 1.0 0.2 7.0 400 309 A 7 ILE HG2% A 7 ILE HG1y 1.0 0.8 3.7 401 310 A 7 ILE HG1x A 7 ILE HG1y 1.0 1.8 3.5 402 311 A 7 ILE HG2% A 7 ILE HG1x 1.0 0.8 3.7 403 312 A 11 MET HGx A 7 ILE HG1y 1.0 1.8 3.5 404 313 A 11 MET HGy A 7 ILE HG1y 1.0 1.8 3.5 405 314 A 11 MET HGy A 11 MET HGx 1.0 1.8 2.7 406 315 A 20 ILE HG1y A 21 GLN HGx 1.0 0.2 7.0 407 315 A 20 ILE HG1x A 21 GLN HGx 1.0 0.2 7.0 408 315 A 21 GLN HGy A 20 ILE HG1y 1.0 0.2 7.0 409 315 A 21 GLN HGy A 20 ILE HG1x 1.0 0.2 7.0 410 316 A 3 LEU HD21 A 7 ILE HG1y 1.0 2.6 9.4 411 316 A 3 LEU HD11 A 7 ILE HG1y 1.0 2.6 9.4 412 316 A 7 ILE HG1x A 3 LEU HD11 1.0 2.6 9.4 413 316 A 3 LEU HD21 A 7 ILE HG1x 1.0 2.6 9.4 414 317 A 5 ARG HDy A 5 ARG HGx 1.0 0.2 5.5 415 317 A 5 ARG HDx A 5 ARG HGx 1.0 0.2 5.5 416 317 A 5 ARG HGy A 5 ARG HDx 1.0 0.2 5.5 417 317 A 5 ARG HGy A 5 ARG HDy 1.0 0.2 5.5 418 318 A 7 ILE HD1% A 7 ILE HG1x 1.0 0.8 3.7 419 319 A 17 LEU HG A 17 LEU HDy% 1.0 0.8 4.5 420 319 A 17 LEU HG A 17 LEU HDx% 1.0 0.8 4.5 421 320 A 20 ILE HD11 A 20 ILE HG1y 1.0 0.8 4.5 422 321 A 20 ILE HG1x A 20 ILE HD11 1.0 0.8 4.5 423 322 A 20 ILE HD11 A 21 GLN HGx 1.0 0.2 5.5 424 322 A 21 GLN HGy A 20 ILE HD11 1.0 0.2 5.5 425 323 A 11 MET HGy A 11 MET HE% 1.0 0.8 4.5 426 324 A 11 MET HGx A 11 MET HE% 1.0 0.8 4.5 427 325 A 25 MET HE% A 17 LEU HDy% 1.0 0.2 7.0 428 325 A 25 MET HE% A 17 LEU HDx% 1.0 0.2 7.0 429 326 A 23 LYS HEy A 23 LYS HGx 1.0 0.2 5.5 430 326 A 23 LYS HEx A 23 LYS HGx 1.0 0.2 5.5 431 326 A 23 LYS HGy A 23 LYS HEx 1.0 0.2 5.5 432 326 A 23 LYS HGy A 23 LYS HEy 1.0 0.2 5.5 433 327 A 25 MET HE% A 25 MET HGx 1.0 0.2 7.0 434 327 A 25 MET HE% A 25 MET HGy 1.0 0.2 7.0 435 328 A 7 ILE HA A 22 CYS HBx 1.0 0.8 6.0 436 328 A 7 ILE HA A 22 CYS HBy 1.0 0.8 6.0 437 329 A 7 ILE HG2% A 22 CYS HBx 1.0 0.2 7.0 438 329 A 7 ILE HG2% A 22 CYS HBy 1.0 0.2 7.0 439 330 A 22 CYS HBy A 7 ILE HG1y 1.0 1.8 3.5 440 331 A 7 ILE HG1y A 22 CYS HBx 1.0 1.8 3.5 441 332 A 7 ILE HG2% A 23 LYS HEx 1.0 0.2 7.0 442 332 A 7 ILE HG2% A 23 LYS HEy 1.0 0.2 7.0 443 333 A 7 ILE HD1% A 23 LYS HA 1.0 0.8 4.5 444 334 A 7 ILE HG2% A 23 LYS HA 1.0 0.8 4.5 445 335 A 10 CYS HBy A 22 CYS HBx 1.0 0.2 7.0 446 335 A 10 CYS HBx A 22 CYS HBx 1.0 0.2 7.0 447 335 A 22 CYS HBy A 10 CYS HBx 1.0 0.2 7.0 448 335 A 10 CYS HBy A 22 CYS HBy 1.0 0.2 7.0 449 336 A 3 LEU HD11 A 27 TYR HBy 1.0 2.6 7.9 450 336 A 3 LEU HD21 A 27 TYR HBy 1.0 2.6 7.9 451 336 A 27 TYR HBx A 3 LEU HD11 1.0 2.6 7.9 452 336 A 3 LEU HD21 A 27 TYR HBx 1.0 2.6 7.9 453 337 A 3 LEU HD11 A 26 CYS HBx 1.0 2.6 7.9 454 337 A 3 LEU HD21 A 26 CYS HBx 1.0 2.6 7.9 455 337 A 26 CYS HBy A 3 LEU HD11 1.0 2.6 7.9 456 337 A 3 LEU HD21 A 26 CYS HBy 1.0 2.6 7.9 stop_ save_