data_nef_c17662_2ldf 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 17661 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 ASN middle . . 5 A 5 ASP middle . . 6 A 6 ILE middle . . 7 A 7 ASN middle . . 8 A 8 ASP middle . . 9 A 9 LYS middle . . 10 A 10 GLU middle . . 11 A 11 CYS middle -HG . 12 A 12 MET middle . . 13 A 13 TYR middle . . 14 A 14 PHE middle . . 15 A 15 CYS middle -HG . 16 A 16 HIS middle . . 17 A 17 GLN middle . . 18 A 18 ASP middle . . 19 A 19 VAL middle . . 20 A 20 ILE middle . . 21 A 21 TRP middle . . 22 A 22 ASP middle . . 23 A 23 GLU middle . . 24 A 24 PRO end . false 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 4.319 . A 1 CYS HBy H 1 3.318 . A 1 CYS HBx H 1 3.272 . A 2 SER H H 1 8.891 . A 2 SER HA H 1 4.658 . A 2 SER HBx H 1 3.776 . A 2 SER HBy H 1 3.776 . A 3 CYS H H 1 8.399 . A 3 CYS HA H 1 4.800 . A 3 CYS HBy H 1 3.169 . A 3 CYS HBx H 1 2.768 . A 4 ASN H H 1 8.728 . A 4 ASN HA H 1 4.587 . A 4 ASN HBx H 1 2.763 . A 4 ASN HBy H 1 2.763 . A 4 ASN HD2x H 1 6.875 . A 4 ASN HD2y H 1 7.569 . A 5 ASP H H 1 8.095 . A 5 ASP HA H 1 4.734 . A 5 ASP HBy H 1 2.938 . A 5 ASP HBx H 1 2.780 . A 6 ILE H H 1 8.163 . A 6 ILE HA H 1 4.147 . A 6 ILE HB H 1 1.896 . A 6 ILE HD1% H 1 0.807 . A 6 ILE HG12 H 1 1.325 . A 6 ILE HG13 H 1 1.170 . A 6 ILE HG21 H 1 0.881 . A 6 ILE HG22 H 1 0.881 . A 6 ILE HG23 H 1 0.881 . A 7 ASN H H 1 8.094 . A 7 ASN HA H 1 4.655 . A 7 ASN HBy H 1 2.846 . A 7 ASN HBx H 1 2.770 . A 7 ASN HD2x H 1 6.917 . A 7 ASN HD2y H 1 7.622 . A 8 ASP H H 1 7.786 . A 8 ASP HA H 1 4.652 . A 8 ASP HBy H 1 3.112 . A 8 ASP HBx H 1 2.754 . A 9 LYS H H 1 8.379 . A 9 LYS HA H 1 3.937 . A 9 LYS HBx H 1 1.793 . A 9 LYS HBy H 1 1.793 . A 9 LYS HDx H 1 1.632 . A 9 LYS HDy H 1 1.632 . A 9 LYS HEx H 1 2.957 . A 9 LYS HEy H 1 2.957 . A 9 LYS HGy H 1 1.488 . A 9 LYS HGx H 1 1.387 . A 9 LYS HZ1 H 1 7.498 . A 9 LYS HZ2 H 1 7.498 . A 9 LYS HZ3 H 1 7.498 . A 10 GLU H H 1 8.265 . A 10 GLU HA H 1 4.153 . A 10 GLU HBx H 1 2.089 . A 10 GLU HBy H 1 2.089 . A 10 GLU HGx H 1 2.446 . A 10 GLU HGy H 1 2.446 . A 11 CYS H H 1 7.703 . A 11 CYS HA H 1 4.257 . A 11 CYS HBy H 1 3.145 . A 11 CYS HBx H 1 3.070 . A 12 MET H H 1 8.133 . A 12 MET HA H 1 4.137 . A 12 MET HBy H 1 2.000 . A 12 MET HBx H 1 1.895 . A 12 MET HE% H 1 1.962 . A 12 MET HGx H 1 2.472 . A 12 MET HGy H 1 2.472 . A 13 TYR H H 1 7.819 . A 13 TYR HA H 1 4.250 . A 13 TYR HBx H 1 2.927 . A 13 TYR HBy H 1 2.927 . A 13 TYR HDx H 1 6.782 . A 13 TYR HDy H 1 6.782 . A 13 TYR HEx H 1 6.683 . A 13 TYR HEy H 1 6.683 . A 14 PHE H H 1 7.975 . A 14 PHE HA H 1 4.268 . A 14 PHE HBy H 1 3.177 . A 14 PHE HBx H 1 3.089 . A 14 PHE HDx H 1 7.293 . A 14 PHE HDy H 1 7.293 . A 14 PHE HEx H 1 7.362 . A 14 PHE HEy H 1 7.362 . A 14 PHE HZ H 1 7.370 . A 15 CYS H H 1 8.308 . A 15 CYS HA H 1 4.572 . A 15 CYS HBy H 1 3.184 . A 15 CYS HBx H 1 2.951 . A 16 HIS H H 1 8.017 . A 16 HIS HA H 1 4.557 . A 16 HIS HBy H 1 3.256 . A 16 HIS HBx H 1 3.190 . A 16 HIS HD2 H 1 7.174 . A 16 HIS HE1 H 1 8.475 . A 17 GLN H H 1 8.129 . A 17 GLN HA H 1 4.214 . A 17 GLN HBy H 1 2.015 . A 17 GLN HBx H 1 1.895 . A 17 GLN HE2x H 1 6.726 . A 17 GLN HE2y H 1 7.248 . A 17 GLN HGx H 1 2.195 . A 17 GLN HGy H 1 2.195 . A 18 ASP H H 1 8.300 . A 18 ASP HA H 1 4.600 . A 18 ASP HBy H 1 2.835 . A 18 ASP HBx H 1 2.722 . A 19 VAL H H 1 7.867 . A 19 VAL HA H 1 4.018 . A 19 VAL HB H 1 1.894 . A 19 VAL HG11 H 1 0.688 . A 19 VAL HG12 H 1 0.688 . A 19 VAL HG13 H 1 0.688 . A 19 VAL HG21 H 1 0.776 . A 19 VAL HG22 H 1 0.776 . A 19 VAL HG23 H 1 0.776 . A 20 ILE H H 1 7.982 . A 20 ILE HA H 1 4.070 . A 20 ILE HB H 1 1.732 . A 20 ILE HD1% H 1 0.742 . A 20 ILE HG12 H 1 1.313 . A 20 ILE HG13 H 1 1.050 . A 20 ILE HG21 H 1 0.742 . A 20 ILE HG22 H 1 0.742 . A 20 ILE HG23 H 1 0.742 . A 21 TRP H H 1 8.052 . A 21 TRP HA H 1 4.610 . A 21 TRP HBy H 1 3.201 . A 21 TRP HBx H 1 3.131 . A 21 TRP HD1 H 1 7.161 . A 21 TRP HE1 H 1 10.007 . A 21 TRP HE3 H 1 7.528 . A 21 TRP HH2 H 1 7.141 . A 21 TRP HZ2 H 1 7.381 . A 21 TRP HZ3 H 1 7.053 . A 22 ASP H H 1 8.011 . A 22 ASP HA H 1 4.546 . A 22 ASP HBy H 1 2.581 . A 22 ASP HBx H 1 2.535 . A 23 GLU H H 1 7.830 . A 23 GLU HA H 1 4.463 . A 23 GLU HBy H 1 1.986 . A 23 GLU HBx H 1 1.767 . A 23 GLU HGx H 1 2.360 . A 23 GLU HGy H 1 2.360 . A 24 PRO HA H 1 4.307 . A 24 PRO HBy H 1 2.226 . A 24 PRO HBx H 1 1.981 . A 24 PRO HDx H 1 3.640 . A 24 PRO HDy H 1 3.640 . A 24 PRO HGx H 1 1.951 . A 24 PRO HGy H 1 1.951 . 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 HBy 1.0 1.9 3.9 2 1 A 2 SER H A 2 SER HBx 1.0 1.9 3.9 3 2 A 2 SER H A 1 CYS HA 1.0 1.6 2.8 4 3 A 2 SER H A 1 CYS HBx 1.0 1.8 3.6 5 4 A 2 SER H A 1 CYS HBy 1.0 1.9 3.9 6 5 A 3 CYS H A 3 CYS HA 1.0 1.8 3.6 7 6 A 3 CYS H A 3 CYS HBx 1.0 1.7 3.3 8 7 A 3 CYS H A 3 CYS HBy 1.0 1.9 4.1 9 8 A 2 SER HBx A 3 CYS H 1.0 1.9 4.1 10 8 A 2 SER HBy A 3 CYS H 1.0 1.9 4.1 11 9 A 2 SER H A 3 CYS H 1.0 2.0 5.0 12 10 A 3 CYS H A 4 ASN H 1.0 1.9 5.1 13 11 A 4 ASN H A 4 ASN HA 1.0 1.8 3.6 14 12 A 4 ASN H A 4 ASN HBy 1.0 1.7 3.1 15 12 A 4 ASN H A 4 ASN HBx 1.0 1.7 3.1 16 13 A 4 ASN H A 4 ASN HD2x 1.0 2.0 6.0 17 14 A 4 ASN H A 4 ASN HD2y 1.0 1.9 6.0 18 15 A 4 ASN H A 2 SER HA 1.0 0.0 6.0 19 16 A 3 CYS HA A 4 ASN H 1.0 1.6 2.8 20 17 A 3 CYS HBy A 4 ASN H 1.0 1.8 3.8 21 18 A 6 ILE H A 6 ILE HA 1.0 1.9 4.1 22 19 A 6 ILE H A 6 ILE HB 1.0 1.8 3.8 23 20 A 6 ILE H A 6 ILE HG12 1.0 1.7 3.5 24 21 A 6 ILE H A 6 ILE HG13 1.0 1.8 3.8 25 22 A 6 ILE H A 6 ILE HG21 1.0 1.7 3.3 26 23 A 6 ILE H A 6 ILE HD1% 1.0 2.0 6.0 27 24 A 7 ASN H A 7 ASN HA 1.0 1.8 3.4 28 25 A 7 ASN H A 7 ASN HBy 1.0 1.8 3.6 29 26 A 7 ASN H A 7 ASN HD2x 1.0 2.0 5.0 30 27 A 7 ASN H A 7 ASN HD2y 1.0 2.0 5.2 31 28 A 6 ILE HA A 7 ASN H 1.0 1.8 3.6 32 29 A 10 GLU H A 10 GLU HA 1.0 1.7 3.3 33 30 A 10 GLU H A 10 GLU HBx 1.0 1.6 2.6 34 30 A 10 GLU H A 10 GLU HBy 1.0 1.6 2.6 35 31 A 10 GLU H A 10 GLU HGy 1.0 1.9 4.5 36 31 A 10 GLU H A 10 GLU HGx 1.0 1.9 4.5 37 32 A 10 GLU H A 11 CYS HBy 1.0 2.0 5.8 38 33 A 10 GLU H A 11 CYS H 1.0 1.8 3.4 39 34 A 11 CYS H A 11 CYS HA 1.0 1.7 3.3 40 35 A 11 CYS H A 11 CYS HBx 1.0 1.7 2.9 41 36 A 11 CYS HBy A 11 CYS H 1.0 1.6 2.8 42 37 A 3 CYS HBx A 11 CYS H 1.0 2.0 6.0 43 38 A 10 GLU HA A 11 CYS H 1.0 1.9 4.5 44 39 A 10 GLU HGy A 11 CYS H 1.0 2.0 5.2 45 39 A 10 GLU HGx A 11 CYS H 1.0 2.0 5.2 46 40 A 10 GLU HBx A 11 CYS H 1.0 1.8 3.6 47 40 A 10 GLU HBy A 11 CYS H 1.0 1.8 3.6 48 41 A 11 CYS H A 12 MET H 1.0 1.8 3.6 49 42 A 12 MET H A 12 MET HA 1.0 1.6 3.0 50 43 A 12 MET H A 12 MET HBx 1.0 1.7 3.3 51 44 A 12 MET H A 12 MET HBy 1.0 1.9 4.3 52 45 A 12 MET H A 12 MET HGx 1.0 1.6 2.8 53 45 A 12 MET H A 12 MET HGy 1.0 1.6 2.8 54 46 A 11 CYS HBx A 12 MET H 1.0 1.7 3.1 55 47 A 11 CYS HBy A 12 MET H 1.0 2.0 5.2 56 48 A 13 TYR H A 13 TYR HA 1.0 1.6 3.0 57 49 A 13 TYR H A 13 TYR HBy 1.0 1.4 2.4 58 49 A 13 TYR H A 13 TYR HBx 1.0 1.4 2.4 59 50 A 10 GLU HBx A 13 TYR H 1.0 1.9 6.0 60 50 A 10 GLU HBy A 13 TYR H 1.0 1.9 6.0 61 51 A 12 MET HA A 13 TYR H 1.0 1.8 4.0 62 52 A 12 MET HBx A 13 TYR H 1.0 2.0 5.2 63 53 A 12 MET HGx A 13 TYR H 1.0 1.7 3.5 64 53 A 12 MET HGy A 13 TYR H 1.0 1.7 3.5 65 54 A 12 MET H A 13 TYR H 1.0 1.8 3.4 66 55 A 13 TYR H A 14 PHE H 1.0 1.8 3.8 67 56 A 13 TYR H A 15 CYS H 1.0 2.0 5.0 68 57 A 15 CYS H A 13 TYR HD% 1.0 1.9 6.0 69 58 A 14 PHE H A 13 TYR HD% 1.0 1.8 3.8 70 59 A 13 TYR H A 13 TYR HD% 1.0 1.9 4.7 71 60 A 14 PHE H A 13 TYR HE% 1.0 0.0 6.0 72 61 A 14 PHE H A 14 PHE HA 1.0 1.7 2.9 73 62 A 14 PHE H A 14 PHE HBy 1.0 1.9 4.1 74 63 A 14 PHE H A 14 PHE HBx 1.0 1.6 3.0 75 64 A 12 MET HA A 14 PHE H 1.0 2.0 5.2 76 65 A 13 TYR HBx A 14 PHE H 1.0 1.6 2.8 77 65 A 13 TYR HBy A 14 PHE H 1.0 1.6 2.8 78 66 A 14 PHE H A 15 CYS H 1.0 1.6 3.0 79 67 A 12 MET H A 14 PHE H 1.0 2.0 4.6 80 68 A 11 CYS H A 14 PHE H 1.0 2.0 5.4 81 69 A 15 CYS H A 14 PHE HD% 1.0 2.0 4.8 82 70 A 14 PHE H A 14 PHE HD% 1.0 1.6 3.0 83 71 A 13 TYR H A 14 PHE HD% 1.0 2.0 4.8 84 72 A 11 CYS H A 14 PHE HD% 1.0 2.0 4.8 85 73 A 14 PHE H A 14 PHE HE% 1.0 1.9 4.9 86 74 A 11 CYS H A 14 PHE HE% 1.0 2.0 6.0 87 75 A 15 CYS H A 14 PHE HE% 1.0 1.9 4.7 88 76 A 15 CYS H A 15 CYS HBx 1.0 1.6 3.0 89 77 A 15 CYS H A 15 CYS HBy 1.0 1.6 2.8 90 78 A 12 MET HA A 15 CYS H 1.0 1.9 4.1 91 79 A 12 MET HGy A 15 CYS H 1.0 0.0 6.0 92 80 A 15 CYS H A 14 PHE HA 1.0 1.7 3.5 93 81 A 15 CYS H A 14 PHE HBx 1.0 1.9 4.3 94 82 A 16 HIS H A 16 HIS HBx 1.0 1.6 2.8 95 83 A 16 HIS H A 16 HIS HBy 1.0 1.9 4.1 96 84 A 14 PHE HA A 16 HIS H 1.0 2.0 6.0 97 85 A 15 CYS HBx A 16 HIS H 1.0 0.0 6.0 98 86 A 16 HIS H A 17 GLN HBx 1.0 1.9 5.1 99 87 A 16 HIS H A 17 GLN HGy 1.0 1.8 6.0 100 87 A 16 HIS H A 17 GLN HGx 1.0 1.8 6.0 101 88 A 15 CYS H A 16 HIS H 1.0 1.7 3.5 102 89 A 16 HIS H A 17 GLN H 1.0 1.7 3.1 103 90 A 13 TYR H A 16 HIS HD2 1.0 0.0 6.0 104 91 A 15 CYS H A 16 HIS HD2 1.0 2.0 6.0 105 92 A 16 HIS H A 16 HIS HD2 1.0 1.8 3.6 106 93 A 17 GLN H A 16 HIS HD2 1.0 2.0 6.0 107 94 A 17 GLN H A 17 GLN HA 1.0 1.8 3.8 108 95 A 17 GLN HBx A 17 GLN H 1.0 1.6 2.8 109 96 A 17 GLN H A 17 GLN HBy 1.0 1.7 3.3 110 97 A 17 GLN HGy A 17 GLN H 1.0 1.9 4.7 111 97 A 17 GLN HGx A 17 GLN H 1.0 1.9 4.7 112 98 A 17 GLN H A 16 HIS HA 1.0 1.7 3.5 113 99 A 16 HIS HBy A 17 GLN H 1.0 1.9 4.1 114 100 A 18 ASP H A 18 ASP HBx 1.0 1.9 3.9 115 101 A 18 ASP H A 18 ASP HBy 1.0 1.8 4.0 116 102 A 17 GLN HA A 18 ASP H 1.0 1.9 4.1 117 103 A 17 GLN HBx A 18 ASP H 1.0 1.9 4.3 118 104 A 17 GLN HBy A 18 ASP H 1.0 2.0 5.2 119 105 A 17 GLN HGy A 18 ASP H 1.0 2.0 5.2 120 105 A 17 GLN HGx A 18 ASP H 1.0 2.0 5.2 121 106 A 18 ASP H A 19 VAL HG21 1.0 2.0 5.6 122 107 A 17 GLN H A 18 ASP H 1.0 1.7 3.1 123 108 A 18 ASP H A 19 VAL H 1.0 1.9 4.7 124 109 A 19 VAL H A 19 VAL HA 1.0 1.8 4.0 125 110 A 19 VAL H A 19 VAL HB 1.0 1.7 3.5 126 111 A 19 VAL H A 19 VAL HG11 1.0 2.0 5.0 127 112 A 19 VAL HG21 A 19 VAL H 1.0 1.7 3.3 128 113 A 17 GLN HGy A 19 VAL H 1.0 2.0 6.0 129 114 A 19 VAL H A 18 ASP HA 1.0 1.7 3.3 130 115 A 18 ASP HBx A 19 VAL H 1.0 2.0 4.8 131 116 A 18 ASP HBy A 19 VAL H 1.0 2.0 5.6 132 117 A 20 ILE H A 20 ILE HA 1.0 1.7 3.3 133 118 A 20 ILE H A 20 ILE HB 1.0 1.9 3.9 134 119 A 20 ILE H A 20 ILE HG13 1.0 1.7 3.3 135 120 A 20 ILE H A 20 ILE HG12 1.0 2.0 5.2 136 121 A 20 ILE H A 20 ILE HD1% 1.0 1.8 3.8 137 121 A 20 ILE H A 20 ILE HG21 1.0 1.8 3.8 138 122 A 19 VAL HA A 20 ILE H 1.0 1.5 2.5 139 123 A 19 VAL HB A 20 ILE H 1.0 0.0 6.0 140 124 A 19 VAL HG11 A 20 ILE H 1.0 1.9 4.3 141 125 A 19 VAL H A 20 ILE H 1.0 1.9 4.3 142 126 A 21 TRP H A 21 TRP HA 1.0 1.7 3.5 143 127 A 21 TRP H A 21 TRP HBx 1.0 2.0 5.0 144 128 A 21 TRP H A 21 TRP HBy 1.0 1.9 3.9 145 129 A 21 TRP H A 21 TRP HE3 1.0 1.9 6.0 146 130 A 20 ILE HA A 21 TRP H 1.0 1.8 4.0 147 131 A 20 ILE HB A 21 TRP H 1.0 0.0 6.0 148 132 A 20 ILE HG13 A 21 TRP H 1.0 2.0 6.0 149 133 A 20 ILE HG12 A 21 TRP H 1.0 1.9 6.0 150 134 A 20 ILE HG21 A 21 TRP H 1.0 1.8 3.8 151 134 A 20 ILE HD1% A 21 TRP H 1.0 1.8 3.8 152 135 A 21 TRP H A 21 TRP HD1 1.0 1.9 4.1 153 136 A 21 TRP HE3 A 22 ASP H 1.0 2.0 5.0 154 137 A 22 ASP H A 22 ASP HBx 1.0 1.9 4.7 155 138 A 22 ASP H A 22 ASP HBy 1.0 2.0 4.6 156 139 A 21 TRP HA A 22 ASP H 1.0 1.6 2.6 157 140 A 23 GLU H A 23 GLU HA 1.0 1.9 4.3 158 141 A 23 GLU H A 23 GLU HBx 1.0 1.9 4.1 159 142 A 23 GLU H A 23 GLU HBy 1.0 1.8 3.8 160 143 A 23 GLU H A 23 GLU HGx 1.0 2.0 6.0 161 143 A 23 GLU H A 23 GLU HGy 1.0 2.0 6.0 162 144 A 23 GLU H A 22 ASP HA 1.0 1.8 3.8 163 145 A 22 ASP HBy A 23 GLU H 1.0 2.0 5.8 164 146 A 22 ASP HBx A 23 GLU H 1.0 2.0 4.8 165 147 A 13 TYR HD% A 13 TYR HE% 1.0 1.2 2.2 166 148 A 10 GLU HA A 13 TYR HD% 1.0 1.9 4.3 167 149 A 13 TYR HA A 13 TYR HD% 1.0 1.7 2.9 168 150 A 13 TYR HBx A 13 TYR HD% 1.0 1.3 2.2 169 150 A 13 TYR HBy A 13 TYR HD% 1.0 1.3 2.2 170 151 A 10 GLU HGx A 13 TYR HD% 1.0 1.8 3.6 171 151 A 10 GLU HGy A 13 TYR HD% 1.0 1.8 3.6 172 152 A 13 TYR HD% A 17 GLN HGx 1.0 2.0 5.6 173 152 A 13 TYR HD% A 17 GLN HGy 1.0 2.0 5.6 174 153 A 10 GLU HBy A 13 TYR HD% 1.0 0.0 6.0 175 153 A 10 GLU HBx A 13 TYR HD% 1.0 0.0 6.0 176 154 A 13 TYR HD% A 14 PHE HBx 1.0 1.7 3.5 177 155 A 13 TYR HD% A 14 PHE HBy 1.0 2.0 6.0 178 156 A 10 GLU HA A 13 TYR HE% 1.0 0.0 6.0 179 157 A 13 TYR HA A 13 TYR HE% 1.0 0.0 6.0 180 158 A 13 TYR HBx A 13 TYR HE% 1.0 0.0 6.0 181 158 A 13 TYR HBy A 13 TYR HE% 1.0 0.0 6.0 182 159 A 10 GLU HGx A 13 TYR HE% 1.0 0.0 6.0 183 159 A 10 GLU HGy A 13 TYR HE% 1.0 0.0 6.0 184 160 A 13 TYR HE% A 17 GLN HGx 1.0 0.0 6.0 185 160 A 13 TYR HE% A 17 GLN HGy 1.0 0.0 6.0 186 161 A 13 TYR HE% A 17 GLN HBx 1.0 2.0 6.0 187 162 A 13 TYR HE% A 12 MET HE% 1.0 2.0 5.6 188 163 A 13 TYR HE% A 14 PHE HBy 1.0 1.9 5.5 189 164 A 14 PHE HD% A 14 PHE HE% 1.0 1.2 2.2 190 165 A 14 PHE HD% A 15 CYS HA 1.0 2.0 4.4 191 166 A 10 GLU HA A 14 PHE HD% 1.0 1.9 4.5 192 167 A 14 PHE HBx A 14 PHE HD% 1.0 1.6 2.6 193 168 A 14 PHE HBy A 14 PHE HD% 1.0 1.4 2.2 194 169 A 14 PHE HD% A 15 CYS HBx 1.0 0.0 6.0 195 170 A 3 CYS HBx A 14 PHE HD% 1.0 2.0 5.4 196 171 A 10 GLU HGy A 14 PHE HD% 1.0 1.8 3.4 197 171 A 10 GLU HGx A 14 PHE HD% 1.0 1.8 3.4 198 172 A 14 PHE HD% A 17 GLN HGx 1.0 2.0 5.2 199 172 A 14 PHE HD% A 17 GLN HGy 1.0 2.0 5.2 200 173 A 10 GLU HBx A 14 PHE HD% 1.0 0.0 6.0 201 173 A 10 GLU HBy A 14 PHE HD% 1.0 0.0 6.0 202 174 A 14 PHE HD% A 17 GLN HBx 1.0 1.9 4.5 203 175 A 14 PHE HD% A 12 MET HE% 1.0 1.8 6.0 204 176 A 6 ILE HG21 A 14 PHE HD% 1.0 2.0 6.0 205 177 A 6 ILE HD1% A 14 PHE HD% 1.0 2.0 4.8 206 178 A 14 PHE HE% A 15 CYS HA 1.0 1.9 4.5 207 179 A 11 CYS HA A 14 PHE HE% 1.0 1.7 3.1 208 180 A 10 GLU HA A 14 PHE HE% 1.0 0.0 6.0 209 181 A 14 PHE HBx A 14 PHE HE% 1.0 0.0 6.0 210 182 A 14 PHE HBy A 14 PHE HE% 1.0 0.0 6.0 211 183 A 15 CYS HBx A 14 PHE HZ 1.0 0.0 6.0 212 183 A 14 PHE HE% A 15 CYS HBx 1.0 0.0 6.0 213 184 A 10 GLU HGx A 14 PHE HE% 1.0 1.7 3.5 214 185 A 14 PHE HE% A 17 GLN HGx 1.0 2.0 6.0 215 185 A 14 PHE HE% A 17 GLN HGy 1.0 2.0 6.0 216 186 A 10 GLU HBx A 14 PHE HE% 1.0 0.0 6.0 217 186 A 10 GLU HBy A 14 PHE HE% 1.0 0.0 6.0 218 187 A 14 PHE HE% A 17 GLN HBx 1.0 0.0 6.0 219 188 A 6 ILE HG21 A 14 PHE HE% 1.0 1.9 6.0 220 189 A 16 HIS HD2 A 16 HIS HE1 1.0 1.8 6.0 221 190 A 16 HIS HD2 A 16 HIS HA 1.0 2.0 6.0 222 191 A 12 MET HA A 16 HIS HD2 1.0 2.0 5.4 223 192 A 13 TYR HA A 16 HIS HD2 1.0 2.0 4.8 224 193 A 15 CYS HBx A 16 HIS HD2 1.0 2.0 5.4 225 194 A 12 MET HGy A 16 HIS HD2 1.0 0.0 6.0 226 195 A 17 GLN HGx A 16 HIS HD2 1.0 1.9 6.0 227 195 A 17 GLN HGy A 16 HIS HD2 1.0 1.9 6.0 228 196 A 17 GLN HBx A 16 HIS HD2 1.0 2.0 6.0 229 197 A 16 HIS HD2 A 12 MET HE% 1.0 1.9 4.7 230 198 A 16 HIS HBy A 16 HIS HD2 1.0 2.0 5.4 231 199 A 16 HIS HD2 A 17 GLN HBy 1.0 2.0 6.0 232 200 A 21 TRP HD1 A 21 TRP HE1 1.0 1.9 4.1 233 201 A 21 TRP HA A 21 TRP HD1 1.0 2.0 5.2 234 202 A 21 TRP HBx A 21 TRP HD1 1.0 1.9 4.3 235 203 A 20 ILE HB A 21 TRP HD1 1.0 2.0 5.4 236 204 A 20 ILE HD1% A 21 TRP HD1 1.0 1.9 4.5 237 205 A 19 VAL HG11 A 21 TRP HD1 1.0 1.9 4.7 238 206 A 20 ILE HA A 21 TRP HD1 1.0 0.0 6.0 239 207 A 20 ILE HG12 A 21 TRP HD1 1.0 1.5 6.0 240 208 A 19 VAL HA A 21 TRP HD1 1.0 1.9 6.0 241 209 A 21 TRP HA A 21 TRP HE3 1.0 1.9 4.7 242 210 A 21 TRP HBx A 21 TRP HE3 1.0 1.8 3.6 243 211 A 21 TRP HBy A 21 TRP HE3 1.0 2.0 5.4 244 212 A 20 ILE HD1% A 21 TRP HE3 1.0 1.9 6.0 245 213 A 21 TRP HE3 A 21 TRP HH2 1.0 2.0 5.6 246 214 A 21 TRP HH2 A 21 TRP HZ3 1.0 1.5 2.7 247 215 A 21 TRP HE3 A 21 TRP HZ2 1.0 2.0 6.0 248 216 A 21 TRP HH2 A 21 TRP HZ2 1.0 1.5 2.7 249 217 A 21 TRP HZ3 A 21 TRP HZ2 1.0 2.0 5.6 250 218 A 21 TRP HE1 A 21 TRP HZ2 1.0 1.9 4.3 251 219 A 21 TRP HE3 A 21 TRP HZ3 1.0 1.8 3.4 252 220 A 21 TRP HBx A 21 TRP HZ3 1.0 1.9 6.0 253 221 A 20 ILE HD1% A 21 TRP HZ3 1.0 2.0 5.2 254 222 A 4 ASN HBy A 4 ASN HD2x 1.0 1.9 4.3 255 222 A 4 ASN HBx A 4 ASN HD2x 1.0 1.9 4.3 256 223 A 4 ASN HBy A 4 ASN HD2y 1.0 2.0 5.2 257 223 A 4 ASN HBx A 4 ASN HD2y 1.0 2.0 5.2 258 224 A 4 ASN HD2x A 4 ASN HD2y 1.0 1.5 2.3 259 225 A 7 ASN HA A 7 ASN HD2y 1.0 2.0 6.0 260 226 A 7 ASN HD2y A 7 ASN HBx 1.0 2.0 5.0 261 227 A 7 ASN HBy A 7 ASN HD2y 1.0 2.0 5.2 262 228 A 7 ASN HD2x A 7 ASN HBx 1.0 1.9 4.9 263 229 A 7 ASN HBy A 7 ASN HD2x 1.0 1.9 3.9 264 230 A 7 ASN HD2x A 10 GLU HGx 1.0 1.8 6.0 265 231 A 7 ASN HD2x A 7 ASN HD2y 1.0 1.4 2.2 266 232 A 6 ILE HG12 A 7 ASN HD2x 1.0 1.5 6.0 267 233 A 6 ILE HG21 A 7 ASN HD2x 1.0 2.0 6.0 268 234 A 6 ILE HG21 A 7 ASN HD2y 1.0 2.0 6.0 269 235 A 6 ILE HD1% A 7 ASN HD2x 1.0 1.9 6.0 270 236 A 7 ASN HD2x A 11 CYS HBy 1.0 1.8 6.0 271 237 A 17 GLN HBx A 17 GLN HE2x 1.0 1.8 6.0 272 238 A 17 GLN HBy A 17 GLN HE2x 1.0 1.7 6.0 273 239 A 17 GLN HGy A 17 GLN HE2x 1.0 2.0 5.0 274 239 A 17 GLN HGx A 17 GLN HE2x 1.0 2.0 5.0 275 240 A 17 GLN HGy A 17 GLN HE2y 1.0 2.0 5.4 276 240 A 17 GLN HGx A 17 GLN HE2y 1.0 2.0 5.4 277 241 A 17 GLN HE2x A 17 GLN HE2y 1.0 1.5 2.5 278 242 A 1 CYS HA A 1 CYS HBy 1.0 1.7 3.3 279 243 A 1 CYS HA A 1 CYS HBx 1.0 1.7 3.3 280 244 A 1 CYS HA A 2 SER HA 1.0 2.0 5.8 281 245 A 2 SER HBx A 2 SER HA 1.0 1.7 3.3 282 245 A 2 SER HBy A 2 SER HA 1.0 1.7 3.3 283 246 A 2 SER HBy A 1 CYS HA 1.0 1.9 6.0 284 246 A 2 SER HBx A 1 CYS HA 1.0 1.9 6.0 285 247 A 3 CYS HA A 3 CYS HBx 1.0 1.9 3.7 286 248 A 3 CYS HA A 3 CYS HBy 1.0 1.7 3.1 287 249 A 3 CYS HBx A 3 CYS HBy 1.0 1.6 2.6 288 250 A 4 ASN HA A 4 ASN HBx 1.0 1.7 3.1 289 250 A 4 ASN HA A 4 ASN HBy 1.0 1.7 3.1 290 251 A 5 ASP HBy A 5 ASP HA 1.0 1.8 3.6 291 252 A 5 ASP HA A 5 ASP HBx 1.0 1.8 4.0 292 253 A 5 ASP HBy A 5 ASP HBx 1.0 1.6 2.6 293 254 A 6 ILE HA A 6 ILE HG21 1.0 1.7 3.1 294 255 A 6 ILE HA A 6 ILE HG12 1.0 1.9 4.5 295 256 A 6 ILE HA A 6 ILE HG13 1.0 2.0 4.8 296 257 A 6 ILE HA A 6 ILE HD1% 1.0 2.0 5.0 297 258 A 6 ILE HB A 6 ILE HG13 1.0 1.6 3.0 298 259 A 6 ILE HG12 A 6 ILE HG13 1.0 1.4 2.2 299 260 A 6 ILE HG13 A 6 ILE HG21 1.0 1.8 3.6 300 261 A 6 ILE HG13 A 6 ILE HD1% 1.0 1.5 2.5 301 262 A 6 ILE HB A 6 ILE HG12 1.0 1.8 3.4 302 263 A 6 ILE HG12 A 6 ILE HG21 1.0 1.7 3.3 303 264 A 6 ILE HB A 6 ILE HG21 1.0 1.6 2.8 304 265 A 6 ILE HB A 6 ILE HD1% 1.0 1.7 3.3 305 266 A 6 ILE HG12 A 6 ILE HD1% 1.0 1.5 2.5 306 267 A 6 ILE HA A 7 ASN HA 1.0 2.0 5.6 307 268 A 3 CYS HBx A 6 ILE HG21 1.0 2.0 5.8 308 269 A 6 ILE HG21 A 11 CYS HA 1.0 1.9 6.0 309 270 A 6 ILE HD1% A 7 ASN HA 1.0 2.0 6.0 310 271 A 3 CYS HBx A 6 ILE HD1% 1.0 2.0 5.0 311 272 A 6 ILE HD1% A 11 CYS HBx 1.0 1.9 6.0 312 273 A 7 ASN HA A 7 ASN HBy 1.0 1.7 3.5 313 274 A 7 ASN HBy A 7 ASN HBx 1.0 1.4 2.4 314 275 A 8 ASP HBx A 8 ASP HA 1.0 1.7 3.5 315 276 A 8 ASP HA A 8 ASP HBy 1.0 1.8 3.6 316 277 A 8 ASP HBx A 8 ASP HBy 1.0 1.6 2.6 317 278 A 9 LYS HA A 9 LYS HBy 1.0 1.6 2.8 318 278 A 9 LYS HA A 9 LYS HBx 1.0 1.6 2.8 319 279 A 9 LYS HA A 9 LYS HGx 1.0 1.8 3.8 320 280 A 9 LYS HA A 9 LYS HGy 1.0 1.8 4.2 321 281 A 9 LYS HA A 9 LYS HDy 1.0 1.9 4.7 322 281 A 9 LYS HA A 9 LYS HDx 1.0 1.9 4.7 323 282 A 8 ASP HA A 9 LYS HA 1.0 2.0 5.8 324 283 A 12 MET HBx A 9 LYS HA 1.0 2.0 5.0 325 284 A 12 MET HGy A 9 LYS HA 1.0 1.9 3.9 326 284 A 12 MET HGx A 9 LYS HA 1.0 1.9 3.9 327 285 A 9 LYS HBx A 9 LYS HGy 1.0 1.7 2.9 328 285 A 9 LYS HBy A 9 LYS HGy 1.0 1.7 2.9 329 286 A 9 LYS HBy A 9 LYS HGx 1.0 1.7 3.1 330 286 A 9 LYS HBx A 9 LYS HGx 1.0 1.7 3.1 331 287 A 10 GLU HGy A 9 LYS HBx 1.0 1.9 6.0 332 287 A 10 GLU HGx A 9 LYS HBy 1.0 1.9 6.0 333 287 A 10 GLU HGy A 9 LYS HBy 1.0 1.9 6.0 334 288 A 9 LYS HGx A 9 LYS HGy 1.0 1.4 2.2 335 289 A 9 LYS HGy A 9 LYS HDx 1.0 1.5 2.5 336 289 A 9 LYS HGy A 9 LYS HDy 1.0 1.5 2.5 337 290 A 9 LYS HGx A 9 LYS HDy 1.0 1.7 2.9 338 290 A 9 LYS HGx A 9 LYS HDx 1.0 1.7 2.9 339 291 A 9 LYS HGx A 9 LYS HEy 1.0 2.0 5.4 340 291 A 9 LYS HGx A 9 LYS HEx 1.0 2.0 5.4 341 292 A 9 LYS HGy A 9 LYS HEy 1.0 2.0 6.0 342 292 A 9 LYS HGy A 9 LYS HEx 1.0 2.0 6.0 343 293 A 10 GLU HA A 10 GLU HBy 1.0 1.6 2.8 344 293 A 10 GLU HA A 10 GLU HBx 1.0 1.6 2.8 345 294 A 10 GLU HA A 10 GLU HGx 1.0 1.6 3.0 346 294 A 10 GLU HA A 10 GLU HGy 1.0 1.6 3.0 347 295 A 10 GLU HA A 9 LYS HBx 1.0 0.0 6.0 348 295 A 10 GLU HA A 9 LYS HBy 1.0 0.0 6.0 349 296 A 10 GLU HBx A 10 GLU HGx 1.0 1.6 2.6 350 296 A 10 GLU HBy A 10 GLU HGy 1.0 1.6 2.6 351 296 A 10 GLU HBx A 10 GLU HGy 1.0 1.6 2.6 352 296 A 10 GLU HBy A 10 GLU HGx 1.0 1.6 2.6 353 297 A 6 ILE HD1% A 11 CYS HA 1.0 1.8 3.8 354 298 A 6 ILE HG12 A 11 CYS HBy 1.0 2.0 5.8 355 299 A 6 ILE HG21 A 11 CYS HBy 1.0 0.0 6.0 356 300 A 6 ILE HG13 A 11 CYS HBy 1.0 2.0 6.0 357 301 A 12 MET HA A 15 CYS HBy 1.0 1.8 3.4 358 302 A 12 MET HA A 12 MET HBy 1.0 1.7 3.3 359 303 A 12 MET HBx A 12 MET HGy 1.0 1.5 2.7 360 303 A 12 MET HBx A 12 MET HGx 1.0 1.5 2.7 361 304 A 12 MET HBy A 9 LYS HA 1.0 2.0 5.6 362 305 A 12 MET HA A 12 MET HGx 1.0 1.8 3.8 363 305 A 12 MET HA A 12 MET HGy 1.0 1.8 3.8 364 306 A 12 MET HBy A 12 MET HGx 1.0 1.6 2.8 365 306 A 12 MET HBy A 12 MET HGy 1.0 1.6 2.8 366 307 A 11 CYS HBy A 12 MET HGy 1.0 2.0 6.0 367 307 A 11 CYS HBy A 12 MET HGx 1.0 2.0 6.0 368 308 A 11 CYS HBx A 12 MET HGy 1.0 2.0 5.4 369 308 A 11 CYS HBx A 12 MET HGx 1.0 2.0 5.4 370 309 A 12 MET HGx A 12 MET HE% 1.0 1.7 3.1 371 309 A 12 MET HGy A 12 MET HE% 1.0 1.7 3.1 372 310 A 12 MET HE% A 9 LYS HA 1.0 2.0 4.6 373 311 A 13 TYR HA A 13 TYR HBy 1.0 1.5 2.5 374 311 A 13 TYR HA A 13 TYR HBx 1.0 1.5 2.5 375 312 A 14 PHE HA A 14 PHE HBy 1.0 0.0 6.0 376 313 A 15 CYS HBx A 15 CYS HA 1.0 1.8 3.6 377 314 A 15 CYS HBx A 15 CYS HBy 1.0 1.6 2.6 378 315 A 16 HIS HBx A 16 HIS HA 1.0 2.0 5.2 379 316 A 16 HIS HBy A 16 HIS HA 1.0 1.8 3.8 380 317 A 17 GLN HBx A 17 GLN HA 1.0 1.8 3.6 381 318 A 17 GLN HA A 17 GLN HBy 1.0 1.7 2.9 382 319 A 17 GLN HGy A 17 GLN HA 1.0 1.8 3.8 383 319 A 17 GLN HGx A 17 GLN HA 1.0 1.8 3.8 384 320 A 17 GLN HA A 16 HIS HA 1.0 2.0 5.8 385 321 A 17 GLN HGx A 17 GLN HBy 1.0 1.6 2.6 386 321 A 17 GLN HGy A 17 GLN HBy 1.0 1.6 2.6 387 322 A 17 GLN HBx A 17 GLN HGx 1.0 1.6 2.8 388 322 A 17 GLN HBx A 17 GLN HGy 1.0 1.6 2.8 389 323 A 18 ASP HBy A 18 ASP HA 1.0 1.9 3.9 390 324 A 18 ASP HBx A 18 ASP HBy 1.0 1.5 2.5 391 325 A 19 VAL HA A 19 VAL HB 1.0 1.8 3.4 392 326 A 19 VAL HA A 19 VAL HG11 1.0 1.7 3.1 393 327 A 19 VAL HG21 A 19 VAL HA 1.0 1.7 3.3 394 328 A 19 VAL HB A 19 VAL HG11 1.0 1.6 3.0 395 329 A 19 VAL HG11 A 18 ASP HA 1.0 2.0 5.8 396 330 A 19 VAL HG21 A 19 VAL HB 1.0 1.7 3.3 397 331 A 19 VAL HG21 A 18 ASP HA 1.0 1.9 4.7 398 332 A 18 ASP HBy A 19 VAL HG21 1.0 2.0 5.8 399 333 A 18 ASP HBx A 19 VAL HG21 1.0 2.0 5.6 400 334 A 17 GLN HGy A 19 VAL HG21 1.0 2.0 5.8 401 335 A 20 ILE HA A 20 ILE HB 1.0 1.7 3.3 402 336 A 20 ILE HA A 20 ILE HG13 1.0 1.9 4.1 403 337 A 20 ILE HA A 20 ILE HG12 1.0 2.0 5.4 404 338 A 20 ILE HA A 20 ILE HG21 1.0 1.7 2.9 405 339 A 20 ILE HA A 21 TRP HA 1.0 2.0 6.0 406 340 A 20 ILE HB A 20 ILE HG13 1.0 1.7 3.5 407 341 A 20 ILE HB A 20 ILE HG12 1.0 1.7 3.3 408 342 A 20 ILE HB A 20 ILE HD1% 1.0 1.7 3.3 409 342 A 20 ILE HB A 20 ILE HG21 1.0 1.7 3.3 410 343 A 20 ILE HG13 A 20 ILE HG12 1.0 1.4 2.2 411 344 A 20 ILE HG13 A 20 ILE HG21 1.0 1.5 2.5 412 344 A 20 ILE HG13 A 20 ILE HD1% 1.0 1.5 2.5 413 345 A 20 ILE HG12 A 20 ILE HG21 1.0 1.5 2.5 414 345 A 20 ILE HG12 A 20 ILE HD1% 1.0 1.5 2.5 415 346 A 20 ILE HD1% A 21 TRP HA 1.0 1.9 4.1 416 347 A 18 ASP HBx A 20 ILE HG21 1.0 2.0 5.8 417 348 A 21 TRP HA A 21 TRP HBx 1.0 1.7 3.1 418 349 A 20 ILE HD1% A 21 TRP HBx 1.0 2.0 4.8 419 350 A 20 ILE HG13 A 21 TRP HD1 1.0 2.0 6.0 420 351 A 22 ASP HBy A 22 ASP HA 1.0 1.9 5.1 421 351 A 22 ASP HBx A 22 ASP HA 1.0 1.9 5.1 422 352 A 23 GLU HA A 23 GLU HBy 1.0 1.9 4.5 423 353 A 23 GLU HBx A 23 GLU HBy 1.0 1.4 2.2 424 354 A 23 GLU HBx A 23 GLU HGx 1.0 1.8 3.8 425 354 A 23 GLU HBx A 23 GLU HGy 1.0 1.8 3.8 426 355 A 23 GLU HBy A 23 GLU HGy 1.0 1.7 3.3 427 355 A 23 GLU HBy A 23 GLU HGx 1.0 1.7 3.3 428 356 A 24 PRO HBy A 24 PRO HGx 1.0 1.6 2.8 429 356 A 24 PRO HBy A 24 PRO HGy 1.0 1.6 2.8 430 357 A 24 PRO HBx A 24 PRO HDy 1.0 1.8 3.4 431 357 A 24 PRO HBx A 24 PRO HDx 1.0 1.8 3.4 432 358 A 24 PRO HBy A 24 PRO HDx 1.0 2.0 6.0 433 358 A 24 PRO HBy A 24 PRO HDy 1.0 2.0 6.0 434 359 A 24 PRO HGy A 24 PRO HA 1.0 2.0 4.6 435 359 A 24 PRO HGx A 24 PRO HA 1.0 2.0 4.6 436 360 A 23 GLU HA A 24 PRO HDx 1.0 1.8 3.6 437 360 A 23 GLU HA A 24 PRO HDy 1.0 1.8 3.6 438 361 A 10 GLU HGy A 11 CYS HA 1.0 1.9 4.5 439 361 A 10 GLU HGx A 11 CYS HA 1.0 1.9 4.5 440 362 A 10 GLU HGy A 11 CYS HBy 1.0 0.0 6.0 441 362 A 10 GLU HGx A 11 CYS HBy 1.0 0.0 6.0 442 363 A 24 PRO HGx A 24 PRO HDy 1.0 1.7 3.3 443 363 A 24 PRO HGy A 24 PRO HDy 1.0 1.7 3.3 444 363 A 24 PRO HGx A 24 PRO HDx 1.0 1.7 3.3 445 363 A 24 PRO HGy A 24 PRO HDx 1.0 1.7 3.3 446 364 A 2 SER H A 2 SER HA 1.0 1.8 4.0 447 365 A 2 SER H A 14 PHE HZ 1.0 1.7 3.3 448 366 A 3 CYS HBx A 6 ILE HB 1.0 2.0 5.8 449 367 A 3 CYS HBy A 6 ILE HB 1.0 2.0 5.8 450 368 A 4 ASN H A 6 ILE HG21 1.0 2.0 6.0 451 369 A 4 ASN H A 6 ILE HG13 1.0 2.0 6.0 452 370 A 6 ILE HG21 A 10 GLU HGy 1.0 1.9 4.1 453 370 A 6 ILE HG21 A 10 GLU HGx 1.0 1.9 4.1 454 371 A 5 ASP HA A 5 ASP H 1.0 1.8 3.6 455 372 A 5 ASP HBy A 5 ASP H 1.0 1.7 3.5 456 373 A 4 ASN HA A 5 ASP H 1.0 1.9 3.9 457 374 A 4 ASN H A 5 ASP H 1.0 1.8 3.6 458 375 A 14 PHE HD% A 19 VAL HB 1.0 1.8 6.0 459 376 A 14 PHE HD% A 19 VAL HG21 1.0 2.0 6.0 460 377 A 14 PHE HD% A 19 VAL HG11 1.0 1.8 6.0 461 378 A 19 VAL HG21 A 14 PHE HZ 1.0 1.9 6.0 462 378 A 14 PHE HE% A 19 VAL HG21 1.0 1.9 6.0 463 379 A 19 VAL HG11 A 14 PHE HZ 1.0 1.8 6.0 464 379 A 14 PHE HE% A 19 VAL HG11 1.0 1.8 6.0 465 380 A 13 TYR HD% A 19 VAL HG11 1.0 1.8 6.0 466 381 A 13 TYR HD% A 19 VAL HG21 1.0 1.9 6.0 467 382 A 13 TYR HE% A 19 VAL HG21 1.0 1.9 6.0 468 383 A 12 MET H A 14 PHE HD% 1.0 1.8 6.0 469 383 A 14 PHE HD% A 17 GLN H 1.0 1.8 6.0 470 384 A 14 PHE HE% A 17 GLN H 1.0 2.0 6.0 471 384 A 12 MET H A 14 PHE HE% 1.0 2.0 6.0 472 385 A 12 MET HBx A 13 TYR HD% 1.0 2.0 6.0 473 385 A 13 TYR HD% A 17 GLN HBx 1.0 2.0 6.0 474 386 A 14 PHE HA A 14 PHE HD% 1.0 1.5 2.7 475 386 A 11 CYS HA A 14 PHE HD% 1.0 1.5 2.7 476 387 A 16 HIS HBx A 16 HIS HD2 1.0 1.8 3.6 477 387 A 21 TRP HBy A 21 TRP HD1 1.0 1.8 3.6 478 388 A 6 ILE HG21 A 8 ASP HA 1.0 2.0 6.0 479 388 A 6 ILE HG21 A 7 ASN HA 1.0 2.0 6.0 480 389 A 6 ILE HG21 A 11 CYS HBy 1.0 2.0 6.0 481 389 A 3 CYS HBy A 6 ILE HG21 1.0 2.0 6.0 482 390 A 6 ILE HD1% A 11 CYS HBy 1.0 2.0 5.2 483 390 A 3 CYS HBy A 6 ILE HD1% 1.0 2.0 5.2 484 391 A 8 ASP HBx A 8 ASP HA 1.0 1.7 3.5 485 391 A 7 ASN HA A 7 ASN HBx 1.0 1.7 3.5 486 392 A 10 GLU HA A 13 TYR HBx 1.0 1.6 2.8 487 392 A 10 GLU HA A 13 TYR HBy 1.0 1.6 2.8 488 392 A 12 MET HA A 15 CYS HBx 1.0 1.6 2.8 489 393 A 6 ILE HA A 6 ILE HB 1.0 1.6 2.6 490 393 A 12 MET HA A 12 MET HBx 1.0 1.6 2.6 491 394 A 11 CYS HA A 11 CYS HBx 1.0 1.6 2.8 492 394 A 14 PHE HA A 14 PHE HBx 1.0 1.6 2.8 493 395 A 11 CYS HBy A 11 CYS HA 1.0 1.5 2.5 494 395 A 14 PHE HA A 14 PHE HBy 1.0 1.5 2.5 495 396 A 15 CYS HBy A 15 CYS HA 1.0 1.5 2.7 496 396 A 16 HIS HBx A 16 HIS HA 1.0 1.5 2.7 497 397 A 12 MET HBx A 12 MET HBy 1.0 1.3 2.2 498 397 A 17 GLN HBx A 17 GLN HBy 1.0 1.3 2.2 499 398 A 3 CYS HBx A 6 ILE HA 1.0 1.9 4.1 500 398 A 6 ILE HA A 7 ASN HBx 1.0 1.9 4.1 501 398 A 6 ILE HA A 5 ASP HBx 1.0 1.9 4.1 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 12 MET H A 8 ASP O 1.0 1.55 2.25 2 2 A 13 TYR H A 9 LYS O 1.0 1.55 2.25 3 3 A 14 PHE H A 10 GLU O 1.0 1.55 2.25 4 4 A 15 CYS H A 11 CYS O 1.0 1.55 2.25 5 5 A 8 ASP O A 12 MET N 1.0 2.40 3.40 6 6 A 9 LYS O A 13 TYR N 1.0 2.40 3.40 7 7 A 10 GLU O A 14 PHE N 1.0 2.40 3.40 8 8 A 11 CYS O A 15 CYS N 1.0 2.40 3.40 stop_ save_