data_nef_c25486_2mzf 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 25487 PDB 2MZF PDB 2MZG 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 4 CYS SG 1 19 CYS SG 1 11 CYS SG 1 28 CYS SG 1 18 CYS SG 1 44 CYS SG 1 30 CYS SG 1 42 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 ALA start . . 2 A 2 LYS middle . . 3 A 3 ALA middle . . 4 A 4 CYS middle -HG . 5 A 5 THR middle . . 6 A 6 PRO middle . false 7 A 7 LEU middle . . 8 A 8 LEU middle . . 9 A 9 HIS middle . . 10 A 10 ASP middle . . 11 A 11 CYS middle -HG . 12 A 12 SER middle . . 13 A 13 HIS middle . . 14 A 14 ASP middle . . 15 A 15 ARG middle . . 16 A 16 HIS middle . . 17 A 17 SER middle . . 18 A 18 CYS middle -HG . 19 A 19 CYS middle -HG . 20 A 20 ARG middle . . 21 A 21 GLY middle . false 22 A 22 ASP middle . . 23 A 23 MET middle . . 24 A 24 PHE middle . . 25 A 25 LYS middle . . 26 A 26 TYR middle . . 27 A 27 VAL middle . . 28 A 28 CYS middle -HG . 29 A 29 ASP middle . . 30 A 30 CYS middle -HG . 31 A 31 PHE middle . . 32 A 32 TYR middle . . 33 A 33 PRO middle . false 34 A 34 GLU middle . . 35 A 35 GLY middle . false 36 A 36 GLU middle . . 37 A 37 ASP middle . . 38 A 38 LYS middle . . 39 A 39 THR middle . . 40 A 40 GLU middle . . 41 A 41 VAL middle . . 42 A 42 CYS middle -HG . 43 A 43 SER middle . . 44 A 44 CYS middle -HG . 45 A 45 GLN middle . . 46 A 46 GLN middle . . 47 A 47 PRO middle . false 48 A 48 LYS middle . . 49 A 49 SER middle . . 50 A 50 HIS middle . . 51 A 51 LYS middle . . 52 A 52 ILE middle . . 53 A 53 ALA middle . . 54 A 54 GLU middle . . 55 A 55 LYS middle . . 56 A 56 ILE middle . . 57 A 57 ILE middle . . 58 A 58 ASP middle . . 59 A 59 LYS middle . . 60 A 60 ALA middle . . 61 A 61 LYS middle . . 62 A 62 THR middle . . 63 A 63 THR middle . . 64 A 64 LEU 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 5 THR H H 1 9.086 . A 5 THR N N 15 121.275 . A 7 LEU H H 1 7.737 . A 7 LEU N N 15 119.189 . A 9 HIS H H 1 8.183 . A 9 HIS N N 15 117.475 . A 10 ASP H H 1 8.412 . A 10 ASP N N 15 119.603 . A 12 SER H H 1 8.878 . A 12 SER N N 15 118.626 . A 13 HIS H H 1 8.637 . A 13 HIS N N 15 117.163 . A 14 ASP H H 1 7.361 . A 14 ASP N N 15 117.460 . A 15 ARG H H 1 9.046 . A 15 ARG N N 15 124.164 . A 16 HIS H H 1 8.584 . A 16 HIS N N 15 116.137 . A 17 SER H H 1 7.574 . A 17 SER N N 15 112.589 . A 19 CYS H H 1 9.009 . A 19 CYS N N 15 119.807 . A 21 GLY H H 1 7.785 . A 21 GLY N N 15 110.508 . A 22 ASP H H 1 8.494 . A 22 ASP N N 15 119.802 . A 23 MET H H 1 8.261 . A 23 MET N N 15 115.406 . A 24 PHE H H 1 7.299 . A 24 PHE N N 15 115.472 . A 25 LYS H H 1 8.510 . A 25 LYS N N 15 121 . A 27 VAL H H 1 9.150 . A 27 VAL N N 15 115.590 . A 28 CYS H H 1 8.852 . A 28 CYS N N 15 123.906 . A 30 CYS H H 1 8.580 . A 30 CYS N N 15 122.610 . A 31 PHE H H 1 9.150 . A 31 PHE N N 15 121.139 . A 32 TYR H H 1 8.702 . A 32 TYR N N 15 119.937 . A 34 GLU H H 1 8.568 . A 34 GLU N N 15 119.274 . A 35 GLY H H 1 8.320 . A 35 GLY N N 15 109.929 . A 36 GLU H H 1 8.214 . A 36 GLU N N 15 119.500 . A 37 ASP H H 1 8.375 . A 37 ASP N N 15 117.588 . A 38 LYS H H 1 8.029 . A 38 LYS N N 15 119.463 . A 39 THR H H 1 7.991 . A 39 THR N N 15 114.995 . A 40 GLU H H 1 8.428 . A 40 GLU N N 15 124.542 . A 43 SER H H 1 8.926 . A 43 SER N N 15 117.719 . A 44 CYS H H 1 8.020 . A 44 CYS N N 15 120.932 . A 46 GLN H H 1 8.926 . A 46 GLN HE2x H 1 7.432 . A 46 GLN N N 15 120.637 . A 46 GLN NE2 N 15 110.622 . A 49 SER H H 1 8.243 . A 49 SER N N 15 116.435 . A 50 HIS H H 1 8.551 . A 50 HIS N N 15 120.637 . A 54 GLU H H 1 8.560 . A 54 GLU N N 15 121.083 . A 55 LYS H H 1 8.245 . A 55 LYS N N 15 120.503 . A 58 ASP H H 1 8.451 . A 58 ASP N N 15 124.070 . A 60 ALA H H 1 8.219 . A 60 ALA N N 15 124.605 . A 61 LYS H H 1 8.224 . A 61 LYS N N 15 120.318 . A 62 THR H H 1 8.144 . A 62 THR N N 15 115.120 . A 63 THR H H 1 8.117 . A 63 THR N N 15 116.833 . stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-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 42 CYS HBy A 43 SER H 1.0 . 4.37 2 2 A 41 VAL HG21 A 42 CYS H 1.0 . 4.37 3 3 A 42 CYS H A 41 VAL HB 1.0 . 4.15 4 4 A 35 GLY HAy A 36 GLU H 1.0 . 3.55 5 5 A 35 GLY H A 34 GLU HGx 1.0 . 4.80 6 5 A 34 GLU HGy A 35 GLY H 1.0 . 4.80 7 6 A 35 GLY H A 34 GLU HBx 1.0 . 4.46 8 7 A 35 GLY H A 34 GLU HBy 1.0 . 4.46 9 8 A 33 PRO HDx A 34 GLU H 1.0 . 4.62 10 9 A 20 ARG HA A 26 TYR H 1.0 . 3.40 11 10 A 12 SER HBx A 13 HIS H 1.0 . 3.96 12 11 A 7 LEU H A 26 TYR HD% 1.0 . 4.87 13 12 A 7 LEU H A 26 TYR HE% 1.0 . 3.90 14 13 A 26 TYR H A 26 TYR HE% 1.0 . 5.15 15 14 A 2 LYS HA A 3 ALA H 1.0 . 3.66 16 15 A 37 ASP HA A 38 LYS H 1.0 . 3.80 17 16 A 38 LYS H A 37 ASP HBx 1.0 . 4.66 18 16 A 38 LYS H A 37 ASP HBy 1.0 . 4.66 19 17 A 26 TYR H A 25 LYS HGy 1.0 . 4.59 20 18 A 26 TYR H A 25 LYS HGx 1.0 . 4.34 21 19 A 11 CYS H A 43 SER HA 1.0 . 3.07 22 20 A 31 PHE H A 40 GLU HA 1.0 . 4.59 23 21 A 31 PHE H A 40 GLU HBx 1.0 . 3.81 24 22 A 14 ASP HA A 15 ARG H 1.0 . 3.01 25 23 A 43 SER HA A 44 CYS H 1.0 . 2.69 26 24 A 27 VAL H A 47 PRO HDx 1.0 . 4.12 27 25 A 9 HIS H A 44 CYS HBx 1.0 . 3.79 28 26 A 9 HIS H A 8 LEU HA 1.0 . 3.91 29 27 A 9 HIS H A 8 LEU HBy 1.0 . 3.97 30 28 A 9 HIS H A 9 HIS HBx 1.0 . 2.93 31 28 A 9 HIS H A 9 HIS HBy 1.0 . 2.93 32 29 A 9 HIS H A 5 THR HG21 1.0 . 4.08 33 30 A 9 HIS H A 9 HIS HA 1.0 . 3.73 34 31 A 36 GLU HBx A 37 ASP H 1.0 . 4.51 35 32 A 37 ASP HA A 37 ASP H 1.0 . 3.74 36 33 A 37 ASP H A 37 ASP HBx 1.0 . 3.59 37 33 A 37 ASP HBy A 37 ASP H 1.0 . 3.59 38 34 A 37 ASP H A 36 GLU HA 1.0 . 3.41 39 35 A 38 LYS H A 37 ASP H 1.0 . 3.41 40 36 A 36 GLU H A 37 ASP H 1.0 . 4.05 41 37 A 37 ASP H A 36 GLU HBy 1.0 . 4.37 42 38 A 48 LYS H A 47 PRO HBx 1.0 . 4.60 43 38 A 47 PRO HBy A 48 LYS H 1.0 . 4.60 44 39 A 48 LYS H A 48 LYS HBx 1.0 . 3.44 45 39 A 48 LYS H A 48 LYS HBy 1.0 . 3.44 46 40 A 48 LYS H A 48 LYS HA 1.0 . 3.73 47 41 A 48 LYS H A 48 LYS HGx 1.0 . 4.26 48 41 A 48 LYS H A 48 LYS HGy 1.0 . 4.26 49 42 A 48 LYS H A 47 PRO HGx 1.0 . 4.07 50 43 A 48 LYS H A 47 PRO HA 1.0 . 2.91 51 44 A 5 THR H A 4 CYS HBx 1.0 . 3.00 52 44 A 4 CYS HBy A 5 THR H 1.0 . 3.00 53 45 A 5 THR H A 5 THR HA 1.0 . 3.30 54 46 A 5 THR H A 6 PRO HDy 1.0 . 3.62 55 47 A 5 THR H A 5 THR HB 1.0 . 2.87 56 48 A 5 THR HG21 A 5 THR H 1.0 . 3.84 57 49 A 5 THR H A 18 CYS HA 1.0 . 3.25 58 50 A 5 THR H A 4 CYS HA 1.0 . 2.75 59 51 A 53 ALA H A 52 ILE HG1x 1.0 . 5.21 60 51 A 52 ILE HG1y A 53 ALA H 1.0 . 5.21 61 52 A 53 ALA H A 53 ALA HB1 1.0 . 3.99 62 53 A 53 ALA H A 52 ILE HA 1.0 . 3.37 63 54 A 53 ALA H A 53 ALA HA 1.0 . 4.56 64 55 A 58 ASP H A 58 ASP HBx 1.0 . 4.84 65 56 A 58 ASP H A 58 ASP HA 1.0 . 4.29 66 57 A 58 ASP H A 57 ILE HA 1.0 . 3.61 67 58 A 58 ASP H A 58 ASP HBy 1.0 . 4.67 68 59 A 32 TYR H A 32 TYR HE% 1.0 . 4.47 69 60 A 32 TYR H A 32 TYR HA 1.0 . 3.72 70 61 A 32 TYR H A 31 PHE HBy 1.0 . 3.23 71 62 A 32 TYR H A 33 PRO HDy 1.0 . 4.83 72 63 A 32 TYR H A 31 PHE HA 1.0 . 2.96 73 64 A 32 TYR H A 32 TYR HBy 1.0 . 3.18 74 65 A 32 TYR H A 31 PHE HBx 1.0 . 3.88 75 66 A 33 PRO HDx A 32 TYR H 1.0 . 5.05 76 67 A 44 CYS HBx A 45 GLN H 1.0 . 3.37 77 68 A 45 GLN H A 29 ASP HBy 1.0 . 0.00 78 69 A 45 GLN H A 45 GLN HA 1.0 . 3.50 79 70 A 45 GLN H A 45 GLN HGy 1.0 . 3.67 80 71 A 45 GLN H A 45 GLN HBx 1.0 . 3.02 81 72 A 45 GLN H A 27 VAL HG21 1.0 . 3.94 82 73 A 45 GLN H A 44 CYS HA 1.0 . 2.55 83 74 A 45 GLN H A 45 GLN HGx 1.0 . 3.98 84 75 A 27 VAL H A 45 GLN H 1.0 . 3.26 85 76 A 45 GLN H A 44 CYS HBy 1.0 . 3.64 86 77 A 45 GLN H A 45 GLN HBy 1.0 . 3.75 87 78 A 56 ILE H A 56 ILE HA 1.0 . 5.21 88 79 A 56 ILE H A 56 ILE HG21 1.0 . 5.50 89 80 A 56 ILE H A 55 LYS HA 1.0 . 3.82 90 81 A 56 ILE H A 56 ILE HB 1.0 . 4.41 91 82 A 21 GLY H A 21 GLY HAx 1.0 . 3.23 92 83 A 21 GLY H A 20 ARG HBy 1.0 . 3.72 93 84 A 21 GLY H A 21 GLY HAy 1.0 . 2.78 94 85 A 21 GLY H A 22 ASP H 1.0 . 4.43 95 86 A 21 GLY H A 20 ARG HBx 1.0 . 4.16 96 87 A 50 HIS H A 50 HIS HBx 1.0 . 4.54 97 88 A 50 HIS H A 49 SER HBy 1.0 . 4.56 98 89 A 50 HIS H A 50 HIS HA 1.0 . 4.39 99 90 A 50 HIS H A 50 HIS HBy 1.0 . 4.03 100 91 A 50 HIS H A 51 LYS H 1.0 . 4.17 101 92 A 50 HIS H A 49 SER HA 1.0 . 3.21 102 93 A 7 LEU H A 6 PRO HBx 1.0 . 3.59 103 94 A 7 LEU H A 19 CYS HBx 1.0 . 4.77 104 95 A 7 LEU H A 7 LEU HBy 1.0 . 3.12 105 96 A 7 LEU H A 7 LEU HA 1.0 . 3.48 106 97 A 7 LEU H A 6 PRO HBy 1.0 . 3.42 107 98 A 7 LEU H A 6 PRO HA 1.0 . 2.92 108 99 A 7 LEU H A 7 LEU HD21 1.0 . 4.44 109 100 A 7 LEU H A 7 LEU HD11 1.0 . 4.36 110 101 A 7 LEU H A 7 LEU HBx 1.0 . 2.90 111 102 A 46 GLN HBx A 46 GLN HE2y 1.0 . 4.16 112 103 A 46 GLN HE2y A 46 GLN HGx 1.0 . 5.50 113 103 A 46 GLN HE2y A 46 GLN HGy 1.0 . 5.50 114 104 A 53 ALA HB1 A 55 LYS H 1.0 . 4.71 115 105 A 55 LYS H A 55 LYS HGy 1.0 . 4.14 116 106 A 55 LYS HA A 55 LYS H 1.0 . 3.35 117 107 A 55 LYS H A 55 LYS HGx 1.0 . 4.76 118 108 A 55 LYS H A 55 LYS HBx 1.0 . 5.46 119 108 A 55 LYS H A 55 LYS HBy 1.0 . 5.46 120 109 A 4 CYS H A 4 CYS HBx 1.0 . 3.54 121 109 A 4 CYS HBy A 4 CYS H 1.0 . 3.54 122 110 A 4 CYS H A 3 ALA HB1 1.0 . 3.70 123 111 A 4 CYS H A 3 ALA HA 1.0 . 2.97 124 112 A 4 CYS HA A 4 CYS H 1.0 . 3.80 125 113 A 45 GLN HA A 45 GLN HE2x 1.0 . 5.44 126 114 A 45 GLN HGy A 45 GLN HE2x 1.0 . 3.55 127 115 A 45 GLN HBx A 45 GLN HE2x 1.0 . 4.97 128 116 A 45 GLN HGx A 45 GLN HE2x 1.0 . 4.13 129 117 A 45 GLN HBy A 45 GLN HE2x 1.0 . 5.26 130 118 A 63 THR H A 63 THR HB 1.0 . 5.50 131 119 A 11 CYS H A 11 CYS HA 1.0 . 3.48 132 120 A 11 CYS H A 10 ASP HBx 1.0 . 3.97 133 121 A 11 CYS H A 11 CYS HBy 1.0 . 3.70 134 122 A 11 CYS H A 10 ASP HA 1.0 . 2.62 135 123 A 11 CYS H A 10 ASP HBy 1.0 . 3.96 136 124 A 11 CYS H A 11 CYS HBx 1.0 . 4.47 137 125 A 11 CYS H A 12 SER H 1.0 . 2.81 138 126 A 34 GLU HBy A 34 GLU H 1.0 . 3.35 139 127 A 34 GLU HBx A 34 GLU H 1.0 . 3.79 140 128 A 34 GLU H A 33 PRO HA 1.0 . 3.22 141 129 A 34 GLU H A 34 GLU HGx 1.0 . 4.18 142 129 A 34 GLU HGy A 34 GLU H 1.0 . 4.18 143 130 A 34 GLU H A 34 GLU HA 1.0 . 3.61 144 131 A 23 MET HBy A 24 PHE H 1.0 . 4.16 145 132 A 24 PHE H A 24 PHE HA 1.0 . 3.76 146 133 A 24 PHE H A 23 MET HA 1.0 . 4.05 147 134 A 24 PHE H A 24 PHE HBy 1.0 . 3.77 148 135 A 24 PHE H A 23 MET H 1.0 . 3.07 149 136 A 24 PHE H A 24 PHE HBx 1.0 . 4.41 150 137 A 26 TYR H A 25 LYS HBy 1.0 . 4.07 151 138 A 26 TYR H A 26 TYR HBy 1.0 . 3.46 152 139 A 26 TYR H A 25 LYS HBx 1.0 . 4.31 153 140 A 26 TYR H A 26 TYR HBx 1.0 . 3.55 154 141 A 26 TYR H A 25 LYS HA 1.0 . 2.74 155 142 A 26 TYR H A 26 TYR HD% 1.0 . 3.92 156 143 A 26 TYR H A 26 TYR HA 1.0 . 3.58 157 144 A 32 TYR HA A 41 VAL H 1.0 . 4.31 158 145 A 41 VAL HB A 41 VAL H 1.0 . 3.48 159 146 A 40 GLU HBx A 41 VAL H 1.0 . 3.41 160 147 A 41 VAL HG21 A 41 VAL H 1.0 . 3.56 161 148 A 41 VAL H A 41 VAL HA 1.0 . 3.61 162 149 A 33 PRO HDy A 41 VAL H 1.0 . 4.14 163 150 A 40 GLU HA A 41 VAL H 1.0 . 2.80 164 151 A 41 VAL H A 41 VAL HG11 1.0 . 4.53 165 152 A 15 ARG HA A 16 HIS H 1.0 . 3.80 166 153 A 16 HIS H A 16 HIS HA 1.0 . 3.61 167 154 A 16 HIS H A 16 HIS HBy 1.0 . 3.19 168 155 A 16 HIS H A 15 ARG HBx 1.0 . 4.90 169 156 A 16 HIS H A 15 ARG HBy 1.0 . 4.07 170 157 A 16 HIS H A 16 HIS HBx 1.0 . 3.86 171 158 A 39 THR HA A 40 GLU H 1.0 . 2.86 172 159 A 40 GLU H A 40 GLU HBy 1.0 . 3.43 173 160 A 40 GLU H A 39 THR HG21 1.0 . 3.93 174 161 A 40 GLU HBx A 40 GLU H 1.0 . 3.38 175 162 A 40 GLU HBx A 41 VAL H 1.0 . 0.00 176 163 A 40 GLU HA A 40 GLU H 1.0 . 3.59 177 164 A 45 GLN HA A 46 GLN H 1.0 . 3.08 178 165 A 46 GLN HBx A 46 GLN H 1.0 . 3.43 179 166 A 45 GLN HBx A 46 GLN H 1.0 . 3.83 180 167 A 46 GLN H A 46 GLN HGx 1.0 . 3.59 181 167 A 46 GLN HGy A 46 GLN H 1.0 . 3.59 182 168 A 46 GLN H A 46 GLN HA 1.0 . 4.00 183 169 A 7 LEU HD21 A 46 GLN H 1.0 . 3.76 184 170 A 46 GLN H A 46 GLN HBy 1.0 . 3.20 185 171 A 45 GLN HBy A 46 GLN H 1.0 . 3.10 186 172 A 46 GLN H A 46 GLN HE2x 1.0 . 5.50 187 173 A 3 ALA H A 3 ALA HB1 1.0 . 3.70 188 174 A 3 ALA H A 3 ALA HA 1.0 . 4.40 189 175 A 59 LYS H A 59 LYS HEx 1.0 . 5.50 190 175 A 59 LYS H A 59 LYS HEy 1.0 . 5.50 191 176 A 59 LYS H A 59 LYS HA 1.0 . 5.00 192 177 A 58 ASP HA A 59 LYS H 1.0 . 4.47 193 178 A 59 LYS H A 59 LYS HGx 1.0 . 5.39 194 179 A 59 LYS H A 59 LYS HBx 1.0 . 4.65 195 180 A 59 LYS H A 59 LYS HBy 1.0 . 5.21 196 181 A 15 ARG H A 14 ASP HBx 1.0 . 4.32 197 181 A 15 ARG H A 14 ASP HBy 1.0 . 4.32 198 182 A 15 ARG H A 15 ARG HDx 1.0 . 4.45 199 183 A 15 ARG H A 15 ARG HGx 1.0 . 3.59 200 184 A 15 ARG H A 15 ARG HA 1.0 . 2.94 201 185 A 15 ARG H A 16 HIS H 1.0 . 3.31 202 186 A 15 ARG H A 14 ASP H 1.0 . 3.94 203 187 A 15 ARG H A 15 ARG HDy 1.0 . 4.98 204 188 A 15 ARG H A 15 ARG HBx 1.0 . 3.77 205 189 A 15 ARG H A 15 ARG HGy 1.0 . 3.16 206 190 A 15 ARG H A 15 ARG HBy 1.0 . 3.08 207 191 A 14 ASP H A 14 ASP HBx 1.0 . 3.47 208 191 A 14 ASP HBy A 14 ASP H 1.0 . 3.47 209 192 A 11 CYS HA A 14 ASP H 1.0 . 4.57 210 193 A 14 ASP H A 13 HIS HBx 1.0 . 4.24 211 194 A 14 ASP HA A 14 ASP H 1.0 . 3.56 212 195 A 14 ASP H A 12 SER HA 1.0 . 4.67 213 196 A 13 HIS H A 14 ASP H 1.0 . 3.05 214 197 A 14 ASP H A 13 HIS HBy 1.0 . 4.03 215 198 A 54 GLU H A 54 GLU HBy 1.0 . 5.47 216 199 A 54 GLU H A 54 GLU HBx 1.0 . 5.11 217 200 A 54 GLU H A 54 GLU HGx 1.0 . 4.60 218 201 A 54 GLU H A 54 GLU HA 1.0 . 3.99 219 202 A 54 GLU H A 54 GLU HGy 1.0 . 4.96 220 203 A 38 LYS H A 38 LYS HDx 1.0 . 5.49 221 203 A 38 LYS H A 38 LYS HDy 1.0 . 5.49 222 204 A 38 LYS H A 38 LYS HGy 1.0 . 4.74 223 205 A 38 LYS H A 38 LYS HBy 1.0 . 4.08 224 206 A 38 LYS H A 38 LYS HBx 1.0 . 3.43 225 207 A 38 LYS H A 38 LYS HGx 1.0 . 4.56 226 208 A 38 LYS H A 38 LYS HA 1.0 . 3.96 227 209 A 36 GLU H A 36 GLU HBx 1.0 . 4.20 228 210 A 36 GLU H A 35 GLY HAx 1.0 . 3.87 229 211 A 36 GLU H A 36 GLU HA 1.0 . 3.94 230 212 A 36 GLU H A 36 GLU HGx 1.0 . 5.46 231 213 A 36 GLU H A 36 GLU HBy 1.0 . 3.62 232 214 A 36 GLU H A 36 GLU HGy 1.0 . 4.14 233 215 A 19 CYS HBy A 20 ARG H 1.0 . 3.40 234 216 A 20 ARG HA A 20 ARG H 1.0 . 3.64 235 217 A 20 ARG HBy A 20 ARG H 1.0 . 3.61 236 218 A 20 ARG H A 20 ARG HGy 1.0 . 4.12 237 219 A 20 ARG H A 19 CYS HA 1.0 . 3.06 238 220 A 20 ARG H A 20 ARG HGx 1.0 . 4.02 239 221 A 20 ARG HBx A 20 ARG H 1.0 . 4.06 240 222 A 45 GLN HA A 45 GLN HE2y 1.0 . 5.29 241 223 A 45 GLN HGy A 45 GLN HE2y 1.0 . 3.97 242 224 A 45 GLN HBx A 45 GLN HE2y 1.0 . 5.41 243 225 A 45 GLN HE2x A 45 GLN HE2y 1.0 . 2.40 244 226 A 45 GLN HGx A 45 GLN HE2y 1.0 . 4.40 245 227 A 45 GLN HBy A 45 GLN HE2y 1.0 . 5.14 246 228 A 49 SER HBy A 49 SER H 1.0 . 3.88 247 229 A 49 SER H A 49 SER HBx 1.0 . 4.43 248 230 A 49 SER HA A 49 SER H 1.0 . 4.16 249 231 A 2 LYS H A 2 LYS HGx 1.0 . 5.50 250 231 A 2 LYS H A 2 LYS HGy 1.0 . 5.50 251 232 A 2 LYS HA A 2 LYS H 1.0 . 3.37 252 233 A 2 LYS H A 2 LYS HBx 1.0 . 4.15 253 233 A 2 LYS H A 2 LYS HBy 1.0 . 4.15 254 234 A 22 ASP H A 22 ASP HBy 1.0 . 3.18 255 235 A 21 GLY HAy A 22 ASP H 1.0 . 3.40 256 236 A 22 ASP H A 22 ASP HBx 1.0 . 3.38 257 237 A 22 ASP H A 23 MET H 1.0 . 3.82 258 238 A 22 ASP H A 22 ASP HA 1.0 . 3.89 259 239 A 44 CYS H A 44 CYS HBx 1.0 . 3.00 260 240 A 44 CYS H A 8 LEU HA 1.0 . 4.33 261 241 A 44 CYS H A 43 SER HBx 1.0 . 4.04 262 242 A 44 CYS H A 44 CYS HA 1.0 . 3.65 263 243 A 44 CYS H A 43 SER HBy 1.0 . 3.20 264 244 A 44 CYS H A 44 CYS HBy 1.0 . 3.70 265 245 A 44 CYS H A 5 THR HG21 1.0 . 4.01 266 246 A 27 VAL H A 27 VAL HG21 1.0 . 3.20 267 247 A 27 VAL H A 27 VAL HA 1.0 . 3.61 268 248 A 27 VAL H A 26 TYR HBx 1.0 . 3.39 269 249 A 27 VAL H A 27 VAL HG11 1.0 . 4.02 270 250 A 26 TYR HD% A 27 VAL H 1.0 . 4.27 271 251 A 27 VAL H A 26 TYR HA 1.0 . 2.84 272 252 A 27 VAL H A 27 VAL HB 1.0 . 3.64 273 253 A 39 THR HA A 39 THR H 1.0 . 4.01 274 254 A 39 THR HG21 A 39 THR H 1.0 . 4.39 275 255 A 38 LYS HBy A 39 THR H 1.0 . 3.53 276 256 A 39 THR H A 39 THR HB 1.0 . 3.59 277 257 A 38 LYS HBx A 39 THR H 1.0 . 4.00 278 258 A 38 LYS HA A 39 THR H 1.0 . 3.57 279 259 A 19 CYS H A 4 CYS HBx 1.0 . 3.58 280 259 A 4 CYS HBy A 19 CYS H 1.0 . 3.58 281 260 A 19 CYS HBx A 19 CYS H 1.0 . 3.13 282 261 A 19 CYS HBy A 19 CYS H 1.0 . 3.75 283 262 A 19 CYS HA A 19 CYS H 1.0 . 3.40 284 263 A 19 CYS H A 18 CYS HBy 1.0 . 3.40 285 264 A 5 THR HB A 19 CYS H 1.0 . 3.68 286 265 A 18 CYS HA A 19 CYS H 1.0 . 2.59 287 266 A 13 HIS H A 11 CYS HA 1.0 . 4.41 288 267 A 13 HIS H A 13 HIS HBx 1.0 . 3.74 289 268 A 13 HIS H A 12 SER HA 1.0 . 3.93 290 269 A 13 HIS H A 13 HIS HA 1.0 . 4.17 291 270 A 13 HIS H A 13 HIS HBy 1.0 . 3.16 292 271 A 43 SER H A 42 CYS HBx 1.0 . 3.84 293 272 A 43 SER H A 43 SER HBx 1.0 . 4.33 294 273 A 43 SER H A 42 CYS HA 1.0 . 2.74 295 274 A 43 SER H A 43 SER HA 1.0 . 3.56 296 275 A 43 SER H A 43 SER HBy 1.0 . 4.29 297 276 A 42 CYS H A 42 CYS HBx 1.0 . 4.15 298 277 A 42 CYS H A 42 CYS HA 1.0 . 3.73 299 278 A 42 CYS H A 12 SER HBy 1.0 . 3.79 300 279 A 42 CYS H A 41 VAL HA 1.0 . 2.75 301 280 A 42 CYS H A 41 VAL HG11 1.0 . 3.65 302 281 A 42 CYS HBy A 42 CYS H 1.0 . 3.58 303 282 A 23 MET HBy A 23 MET H 1.0 . 3.58 304 283 A 23 MET H A 22 ASP HBy 1.0 . 4.59 305 284 A 23 MET H A 23 MET HGy 1.0 . 4.42 306 285 A 23 MET HA A 23 MET H 1.0 . 3.54 307 286 A 23 MET H A 22 ASP HBx 1.0 . 4.04 308 287 A 23 MET H A 23 MET HGx 1.0 . 4.26 309 288 A 25 LYS HBy A 25 LYS H 1.0 . 3.68 310 289 A 24 PHE HA A 25 LYS H 1.0 . 2.95 311 290 A 25 LYS HBx A 25 LYS H 1.0 . 3.47 312 291 A 25 LYS HGy A 25 LYS H 1.0 . 4.40 313 292 A 24 PHE HBy A 25 LYS H 1.0 . 3.72 314 293 A 25 LYS HA A 25 LYS H 1.0 . 3.66 315 294 A 25 LYS HGx A 25 LYS H 1.0 . 4.68 316 295 A 24 PHE HBx A 25 LYS H 1.0 . 4.07 317 296 A 31 PHE H A 30 CYS HBx 1.0 . 4.23 318 297 A 41 VAL HB A 31 PHE H 1.0 . 4.25 319 298 A 31 PHE H A 41 VAL H 1.0 . 3.32 320 299 A 31 PHE H A 30 CYS HA 1.0 . 2.72 321 300 A 31 PHE H A 31 PHE HBy 1.0 . 3.98 322 301 A 31 PHE H A 31 PHE HA 1.0 . 3.57 323 302 A 31 PHE H A 30 CYS HBy 1.0 . 3.67 324 303 A 31 PHE H A 31 PHE HBx 1.0 . 3.99 325 304 A 31 PHE H A 31 PHE HD% 1.0 . 3.84 326 305 A 44 CYS HBx A 8 LEU H 1.0 . 3.29 327 306 A 8 LEU H A 7 LEU HG 1.0 . 3.42 328 307 A 9 HIS H A 8 LEU H 1.0 . 3.01 329 308 A 8 LEU HA A 8 LEU H 1.0 . 2.53 330 309 A 8 LEU H A 8 LEU HD11 1.0 . 3.19 331 309 A 8 LEU H A 8 LEU HD21 1.0 . 3.19 332 310 A 7 LEU HA A 8 LEU H 1.0 . 2.51 333 311 A 7 LEU HD21 A 8 LEU H 1.0 . 3.09 334 312 A 8 LEU HBy A 8 LEU H 1.0 . 3.99 335 313 A 8 LEU H A 8 LEU HG 1.0 . 3.71 336 314 A 8 LEU H A 8 LEU HBx 1.0 . 4.08 337 315 A 57 ILE H A 57 ILE HG1x 1.0 . 4.54 338 316 A 57 ILE H A 57 ILE HB 1.0 . 4.21 339 317 A 57 ILE H A 57 ILE HG21 1.0 . 5.28 340 318 A 57 ILE H A 57 ILE HD11 1.0 . 5.28 341 319 A 57 ILE HA A 57 ILE H 1.0 . 3.60 342 320 A 28 CYS H A 28 CYS HA 1.0 . 3.86 343 321 A 27 VAL HA A 28 CYS H 1.0 . 2.74 344 322 A 27 VAL HG11 A 28 CYS H 1.0 . 3.82 345 323 A 28 CYS H A 28 CYS HBx 1.0 . 2.90 346 323 A 28 CYS H A 28 CYS HBy 1.0 . 2.90 347 324 A 27 VAL HB A 28 CYS H 1.0 . 3.30 348 325 A 29 ASP HA A 30 CYS H 1.0 . 2.69 349 326 A 30 CYS HBx A 30 CYS H 1.0 . 3.15 350 327 A 30 CYS H A 29 ASP HBx 1.0 . 4.11 351 328 A 30 CYS HA A 30 CYS H 1.0 . 3.64 352 329 A 30 CYS HBy A 30 CYS H 1.0 . 3.81 353 330 A 29 ASP HA A 29 ASP H 1.0 . 3.80 354 331 A 28 CYS HA A 29 ASP H 1.0 . 2.76 355 332 A 44 CYS HA A 29 ASP H 1.0 . 4.03 356 333 A 29 ASP HBx A 29 ASP H 1.0 . 3.33 357 334 A 43 SER H A 29 ASP H 1.0 . 3.58 358 335 A 29 ASP HBy A 29 ASP H 1.0 . 3.04 359 336 A 52 ILE H A 52 ILE HB 1.0 . 4.34 360 337 A 54 GLU HBy A 52 ILE H 1.0 . 5.10 361 338 A 52 ILE HA A 52 ILE H 1.0 . 4.55 362 339 A 52 ILE H A 52 ILE HG21 1.0 . 4.20 363 340 A 52 ILE H A 51 LYS HA 1.0 . 3.35 364 341 A 46 GLN HBx A 46 GLN HE2x 1.0 . 3.89 365 342 A 46 GLN HE2y A 46 GLN HE2x 1.0 . 2.40 366 343 A 46 GLN HBy A 46 GLN HE2x 1.0 . 5.35 367 344 A 51 LYS H A 51 LYS HGx 1.0 . 4.96 368 344 A 51 LYS H A 51 LYS HGy 1.0 . 4.96 369 345 A 51 LYS H A 51 LYS HBx 1.0 . 4.02 370 345 A 51 LYS H A 51 LYS HBy 1.0 . 4.02 371 346 A 50 HIS HA A 51 LYS H 1.0 . 3.61 372 347 A 51 LYS H A 52 ILE H 1.0 . 3.68 373 348 A 51 LYS H A 51 LYS HA 1.0 . 4.21 374 349 A 10 ASP HBx A 10 ASP H 1.0 . 2.80 375 350 A 10 ASP HA A 10 ASP H 1.0 . 3.63 376 351 A 10 ASP H A 9 HIS HBx 1.0 . 3.11 377 351 A 9 HIS HBy A 10 ASP H 1.0 . 3.11 378 352 A 10 ASP HBy A 10 ASP H 1.0 . 4.02 379 353 A 5 THR HG21 A 10 ASP H 1.0 . 4.28 380 354 A 9 HIS HA A 10 ASP H 1.0 . 2.88 381 355 A 60 ALA H A 60 ALA HA 1.0 . 4.34 382 356 A 60 ALA H A 60 ALA HB1 1.0 . 4.41 383 357 A 61 LYS H A 61 LYS HBy 1.0 . 5.50 384 358 A 61 LYS H A 61 LYS HBx 1.0 . 4.77 385 359 A 35 GLY H A 35 GLY HAx 1.0 . 3.26 386 360 A 35 GLY H A 34 GLU H 1.0 . 3.77 387 361 A 35 GLY HAy A 35 GLY H 1.0 . 3.37 388 362 A 35 GLY H A 34 GLU HA 1.0 . 2.99 389 363 A 62 THR H A 62 THR HA 1.0 . 5.00 390 364 A 62 THR H A 62 THR HB 1.0 . 5.50 391 365 A 18 CYS H A 18 CYS HBx 1.0 . 3.16 392 366 A 18 CYS H A 17 SER HA 1.0 . 3.79 393 367 A 18 CYS HBy A 18 CYS H 1.0 . 3.81 394 368 A 18 CYS HA A 18 CYS H 1.0 . 3.58 395 369 A 18 CYS H A 17 SER H 1.0 . 3.44 396 370 A 17 SER H A 14 ASP HBx 1.0 . 4.35 397 370 A 14 ASP HBy A 17 SER H 1.0 . 4.35 398 371 A 15 ARG HA A 17 SER H 1.0 . 4.18 399 372 A 16 HIS H A 17 SER H 1.0 . 3.01 400 373 A 17 SER H A 17 SER HBx 1.0 . 3.73 401 374 A 16 HIS HA A 17 SER H 1.0 . 3.75 402 375 A 16 HIS HBy A 17 SER H 1.0 . 4.40 403 376 A 17 SER HA A 17 SER H 1.0 . 3.56 404 377 A 17 SER H A 17 SER HBy 1.0 . 3.29 405 378 A 16 HIS HBx A 17 SER H 1.0 . 4.30 406 379 A 11 CYS HA A 12 SER H 1.0 . 3.70 407 380 A 10 ASP HBx A 12 SER H 1.0 . 4.25 408 381 A 11 CYS HBy A 12 SER H 1.0 . 4.55 409 382 A 12 SER H A 12 SER HBy 1.0 . 2.85 410 383 A 10 ASP HA A 12 SER H 1.0 . 3.99 411 384 A 10 ASP HBy A 12 SER H 1.0 . 3.78 412 385 A 13 HIS H A 12 SER H 1.0 . 3.47 413 386 A 12 SER HBx A 12 SER H 1.0 . 3.52 stop_ save_