data_nef_c15273_2jqc save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2YYF PDB 2EFZ BMRB 15272 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 9 LYS C 1 10 HYP N 1 10 HYP C 1 11 ASN N 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 ASP start . . 2 A 2 TRP middle . . 3 A 3 GLU middle . . 4 A 4 TYR middle . . 5 A 5 HIS middle . . 6 A 6 ALA middle . . 7 A 7 HIS middle . . 8 A 8 PRO middle . false 9 A 9 LYS middle -OXT . 10 A 10 HYP middle -H,-OXT . 11 A 11 ASN middle -H2 . 12 A 12 SER middle . . 13 A 13 PHE middle . . 14 A 14 TRP middle . . 15 A 15 THR 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 ASP HA H 1 4.220 0.001 A 2 TRP H H 1 8.587 0.003 A 2 TRP HA H 1 4.594 0.004 A 2 TRP HBx H 1 3.166 0.001 A 2 TRP HD1 H 1 7.148 0.002 A 2 TRP HE1 H 1 10.019 0.001 A 2 TRP HE3 H 1 7.523 0.002 A 2 TRP HH2 H 1 7.165 0.003 A 2 TRP HZ2 H 1 7.418 0.002 A 3 GLU H H 1 7.877 0.008 A 3 GLU HA H 1 4.062 0.003 A 3 GLU HB2 H 1 1.606 0.005 A 3 GLU HB3 H 1 1.720 0.001 A 3 GLU HGx H 1 2.037 0.007 A 4 TYR H H 1 7.900 0.002 A 4 TYR HA H 1 4.209 0.002 A 4 TYR HB2 H 1 2.800 0.002 A 4 TYR HB3 H 1 2.751 0.002 A 4 TYR HDx H 1 6.979 0.003 A 4 TYR HEx H 1 6.717 0.004 A 5 HIS H H 1 8.054 0.003 A 5 HIS HA H 1 4.438 0.005 A 5 HIS HB2 H 1 3.051 0.003 A 5 HIS HB3 H 1 2.913 0.004 A 5 HIS HD2 H 1 7.105 0.001 A 5 HIS HE1 H 1 8.454 0.000 A 6 ALA H H 1 8.119 0.001 A 6 ALA HA H 1 4.080 0.006 A 6 ALA HB% H 1 1.243 0.004 A 7 HIS H H 1 8.416 0.002 A 7 HIS HA H 1 4.862 0.000 A 7 HIS HB2 H 1 3.060 0.003 A 7 HIS HB3 H 1 3.140 0.003 A 7 HIS HD2 H 1 7.253 0.001 A 7 HIS HE1 H 1 8.513 0.001 A 8 PRO HA H 1 4.354 0.005 A 8 PRO HB2 H 1 1.814 0.004 A 8 PRO HB3 H 1 2.179 0.004 A 8 PRO HD2 H 1 3.621 0.006 A 8 PRO HD3 H 1 3.422 0.003 A 8 PRO HGx H 1 1.878 0.003 A 9 LYS H H 1 8.428 0.001 A 9 LYS HA H 1 4.494 0.004 A 9 LYS HB2 H 1 1.649 0.003 A 9 LYS HB3 H 1 1.725 0.004 A 9 LYS HDx H 1 1.609 0.002 A 9 LYS HEx H 1 2.918 0.006 A 9 LYS HGx H 1 1.414 0.006 A 10 HYP HA H 1 4.475 0.005 A 10 HYP HBx H 1 1.958 0.003 A 10 HYP HD22 H 1 3.710 0.002 A 10 HYP HD3 H 1 3.798 0.002 A 10 HYP HG2 H 1 2.286 0.003 A 10 HYP HG3 H 1 2.286 0.003 A 11 ASN H H 1 8.580 0.003 A 11 ASN HA H 1 4.502 0.010 A 11 ASN HBx H 1 2.691 0.001 A 12 SER H H 1 8.037 0.001 A 12 SER HA H 1 4.504 0.002 A 12 SER HBx H 1 3.641 0.004 A 13 PHE H H 1 8.024 0.003 A 13 PHE HA H 1 4.282 0.000 A 13 PHE HB2 H 1 2.857 0.004 A 13 PHE HB3 H 1 2.934 0.001 A 13 PHE HDx H 1 7.047 0.005 A 13 PHE HEx H 1 7.511 0.000 A 13 PHE HZ H 1 7.221 0.000 A 14 TRP H H 1 7.920 0.001 A 14 TRP HA H 1 4.669 0.004 A 14 TRP HB2 H 1 3.150 0.000 A 14 TRP HB3 H 1 3.248 0.003 A 14 TRP HD1 H 1 7.153 0.000 A 15 THR H H 1 7.764 0.001 A 15 THR HA H 1 4.245 0.003 A 15 THR HB H 1 4.213 0.003 A 15 THR HG2% H 1 1.058 0.003 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 6 ALA H A 6 ALA HA 1.0 . 3.21 2 2 A 5 HIS H A 5 HIS HA 1.0 . 3.33 3 3 A 5 HIS H A 5 HIS HB2 1.0 . 3.61 4 4 A 5 HIS H A 5 HIS HB3 1.0 . 2.40 5 5 A 5 HIS H A 4 TYR HA 1.0 . 2.43 6 6 A 7 HIS H A 7 HIS HB2 1.0 . 2.58 7 7 A 7 HIS H A 7 HIS HB3 1.0 . 2.52 8 8 A 6 ALA HA A 7 HIS H 1.0 . 2.40 9 9 A 7 HIS H A 7 HIS HA 1.0 . 3.11 10 10 A 9 LYS H A 9 LYS HA 1.0 . 3.21 11 11 A 9 LYS H A 8 PRO HA 1.0 . 2.40 12 12 A 9 LYS H A 9 LYS HB2 1.0 . 2.90 13 13 A 9 LYS H A 9 LYS HB3 1.0 . 2.49 14 14 A 6 ALA H A 7 HIS H 1.0 . 3.83 15 15 A 8 PRO HA A 8 PRO HB2 1.0 . 2.59 16 16 A 8 PRO HA A 8 PRO HB3 1.0 . 2.86 17 17 A 9 LYS H A 8 PRO HB2 1.0 . 3.33 18 18 A 11 ASN H A 11 ASN HBx 1.0 . 4.30 19 18 A 11 ASN H A 11 ASN HBy 1.0 . 4.30 20 19 A 12 SER H A 11 ASN HBx 1.0 . 4.65 21 19 A 11 ASN HBy A 12 SER H 1.0 . 4.65 22 20 A 12 SER H A 12 SER HBx 1.0 . 4.31 23 20 A 12 SER H A 12 SER HBy 1.0 . 4.31 24 21 A 13 PHE H A 13 PHE HA 1.0 . 2.74 25 22 A 11 ASN H A 12 SER H 1.0 . 3.27 26 23 A 9 LYS HA A 9 LYS HB2 1.0 . 3.30 27 24 A 9 LYS HA A 9 LYS HB3 1.0 . 3.11 28 25 A 6 ALA H A 5 HIS HB3 1.0 . 3.89 29 26 A 6 ALA H A 5 HIS HB2 1.0 . 3.73 30 27 A 4 TYR HA A 4 TYR H 1.0 . 3.21 31 28 A 4 TYR HA A 4 TYR HB3 1.0 . 3.14 32 29 A 3 GLU H A 3 GLU HA 1.0 . 3.92 33 30 A 3 GLU H A 3 GLU HB3 1.0 . 2.55 34 31 A 4 TYR H A 3 GLU HB3 1.0 . 3.40 35 32 A 4 TYR H A 3 GLU HB2 1.0 . 2.40 36 33 A 4 TYR H A 3 GLU HA 1.0 . 2.59 37 34 A 15 THR H A 15 THR HB 1.0 . 3.83 38 35 A 2 TRP H A 2 TRP HBx 1.0 . 4.34 39 35 A 2 TRP H A 2 TRP HBy 1.0 . 4.34 40 36 A 15 THR H A 14 TRP HA 1.0 . 3.24 41 37 A 14 TRP HA A 14 TRP H 1.0 . 3.52 42 38 A 3 GLU H A 2 TRP HBx 1.0 . 5.17 43 38 A 3 GLU H A 2 TRP HBy 1.0 . 5.17 44 39 A 2 TRP H A 2 TRP HA 1.0 . 4.07 45 40 A 3 GLU H A 2 TRP HA 1.0 . 2.77 46 41 A 14 TRP H A 12 SER HA 1.0 . 3.30 47 42 A 14 TRP H A 14 TRP HB2 1.0 . 3.55 48 43 A 14 TRP H A 14 TRP HB3 1.0 . 3.92 49 44 A 4 TYR HA A 4 TYR HB2 1.0 . 2.59 50 45 A 4 TYR H A 4 TYR HB3 1.0 . 3.21 51 46 A 4 TYR H A 4 TYR HB2 1.0 . 3.17 52 47 A 12 SER H A 12 SER HA 1.0 . 2.80 53 48 A 13 PHE H A 13 PHE HB2 1.0 . 2.40 54 49 A 13 PHE H A 13 PHE HB3 1.0 . 2.40 55 50 A 14 TRP H A 13 PHE HB3 1.0 . 4.26 56 51 A 14 TRP H A 13 PHE HB2 1.0 . 5.07 57 52 A 9 LYS HB3 A 11 ASN H 1.0 . 4.66 58 53 A 3 GLU H A 2 TRP H 1.0 . 4.01 59 54 A 2 TRP H A 1 ASP HA 1.0 . 3.11 60 55 A 7 HIS HB3 A 7 HIS HA 1.0 . 3.05 61 56 A 7 HIS HB2 A 7 HIS HA 1.0 . 3.05 62 57 A 5 HIS HA A 5 HIS HB2 1.0 . 3.14 63 58 A 15 THR H A 15 THR HA 1.0 . 4.29 64 59 A 3 GLU HA A 3 GLU HB3 1.0 . 3.42 65 60 A 3 GLU HA A 3 GLU HB2 1.0 . 2.52 66 61 A 9 LYS H A 8 PRO HB3 1.0 . 3.55 67 62 A 3 GLU H A 3 GLU HB2 1.0 . 3.42 68 63 A 6 ALA H A 5 HIS HA 1.0 . 2.49 69 64 A 11 ASN H A 11 ASN HA 1.0 . 2.70 70 65 A 9 LYS H A 9 LYS HGx 1.0 . 6.20 71 65 A 9 LYS H A 9 LYS HGy 1.0 . 6.20 72 66 A 9 LYS HDy A 9 LYS HGx 1.0 . 4.76 73 66 A 9 LYS HDx A 9 LYS HGx 1.0 . 4.76 74 66 A 9 LYS HGy A 9 LYS HDx 1.0 . 4.76 75 66 A 9 LYS HGy A 9 LYS HDy 1.0 . 4.76 76 67 A 9 LYS HB2 A 9 LYS HGx 1.0 . 3.28 77 67 A 9 LYS HB2 A 9 LYS HGy 1.0 . 3.28 78 68 A 9 LYS HB3 A 9 LYS HGx 1.0 . 4.28 79 68 A 9 LYS HB3 A 9 LYS HGy 1.0 . 4.28 80 69 A 7 HIS HB2 A 7 HIS HD2 1.0 . 4.88 81 70 A 7 HIS HB3 A 7 HIS HD2 1.0 . 3.58 82 71 A 7 HIS HB3 A 7 HIS HE1 1.0 . 5.50 83 72 A 8 PRO HD2 A 8 PRO HGx 1.0 . 4.28 84 72 A 8 PRO HD2 A 8 PRO HGy 1.0 . 4.28 85 73 A 8 PRO HD3 A 8 PRO HGx 1.0 . 4.19 86 73 A 8 PRO HGy A 8 PRO HD3 1.0 . 4.19 87 74 A 8 PRO HA A 8 PRO HGx 1.0 . 3.85 88 74 A 8 PRO HA A 8 PRO HGy 1.0 . 3.85 89 75 A 8 PRO HB2 A 8 PRO HD2 1.0 . 4.00 90 76 A 8 PRO HB2 A 8 PRO HD3 1.0 . 4.00 91 77 A 8 PRO HB3 A 8 PRO HGx 1.0 . 4.43 92 77 A 8 PRO HB3 A 8 PRO HGy 1.0 . 4.43 93 78 A 8 PRO HB2 A 8 PRO HB3 1.0 . 2.40 94 79 A 7 HIS HA A 8 PRO HGx 1.0 . 6.39 95 79 A 7 HIS HA A 8 PRO HGy 1.0 . 6.39 96 80 A 9 LYS H A 8 PRO HGx 1.0 . 6.39 97 80 A 9 LYS H A 8 PRO HGy 1.0 . 6.39 98 81 A 7 HIS H A 8 PRO HD3 1.0 . 4.85 99 82 A 7 HIS H A 8 PRO HD2 1.0 . 5.16 100 83 A 7 HIS HD2 A 7 HIS HE1 1.0 . 5.50 101 84 A 2 TRP HD1 A 2 TRP HBx 1.0 . 5.67 102 84 A 2 TRP HBy A 2 TRP HD1 1.0 . 5.67 103 85 A 2 TRP HA A 2 TRP HD1 1.0 . 5.10 104 86 A 2 TRP HA A 2 TRP HE3 1.0 . 5.50 105 87 A 9 LYS HA A 9 LYS HGx 1.0 . 6.07 106 87 A 9 LYS HA A 9 LYS HGy 1.0 . 6.07 107 88 A 4 TYR HA A 4 TYR HD% 1.0 . 6.57 108 89 A 4 TYR HD% A 4 TYR HE% 1.0 . 7.37 109 90 A 4 TYR HA A 4 TYR HE% 1.0 . 7.63 110 91 A 6 ALA HA A 4 TYR HE% 1.0 . 7.63 111 92 A 6 ALA HA A 4 TYR HD% 1.0 . 7.63 112 93 A 4 TYR H A 4 TYR HD% 1.0 . 7.63 113 94 A 5 HIS H A 4 TYR HD% 1.0 . 7.63 114 95 A 8 PRO HD2 A 8 PRO HD3 1.0 . 2.59 115 96 A 2 TRP H A 2 TRP HD1 1.0 . 5.50 116 97 A 5 HIS HB3 A 5 HIS HD2 1.0 . 4.97 117 98 A 14 TRP HB3 A 14 TRP HD1 1.0 . 5.50 118 99 A 4 TYR HB3 A 4 TYR HD% 1.0 . 6.20 119 100 A 4 TYR HB2 A 4 TYR HD% 1.0 . 6.51 120 101 A 5 HIS HB2 A 5 HIS HD2 1.0 . 5.50 121 102 A 5 HIS HA A 5 HIS HD2 1.0 . 5.50 122 103 A 2 TRP HE3 A 2 TRP HBx 1.0 . 6.07 123 103 A 2 TRP HBy A 2 TRP HE3 1.0 . 6.07 124 104 A 2 TRP HE1 A 2 TRP HZ2 1.0 . 4.97 125 105 A 2 TRP HZ2 A 2 TRP HH2 1.0 . 2.46 126 106 A 2 TRP HD1 A 2 TRP HE1 1.0 . 3.48 127 107 A 2 TRP HE1 A 2 TRP HBx 1.0 . 6.38 128 107 A 2 TRP HBy A 2 TRP HE1 1.0 . 6.38 129 108 A 11 ASN H A 9 LYS HGx 1.0 . 6.38 130 108 A 11 ASN H A 9 LYS HGy 1.0 . 6.38 131 109 A 13 PHE HE% A 13 PHE HD% 1.0 . 6.69 132 110 A 13 PHE HD% A 13 PHE HZ 1.0 . 4.99 133 111 A 5 HIS HD2 A 5 HIS HE1 1.0 . 5.50 134 112 A 6 ALA H A 4 TYR HD% 1.0 . 7.63 135 113 A 3 GLU HA A 3 GLU HGx 1.0 . 6.38 136 113 A 3 GLU HA A 3 GLU HGy 1.0 . 6.38 137 114 A 8 PRO HB3 A 8 PRO HD3 1.0 . 4.14 138 115 A 8 PRO HB3 A 8 PRO HD2 1.0 . 3.86 139 116 A 5 HIS H A 5 HIS HD2 1.0 . 5.50 140 117 A 3 GLU HB3 A 3 GLU HGx 1.0 . 4.15 141 117 A 3 GLU HB3 A 3 GLU HGy 1.0 . 4.15 142 118 A 11 ASN H A 10 HYP HG 1.0 . 4.32 143 119 A 3 GLU H A 3 GLU HGx 1.0 . 6.38 144 119 A 3 GLU H A 3 GLU HGy 1.0 . 6.38 145 120 A 9 LYS HDx A 9 LYS HEx 1.0 . 6.40 146 120 A 9 LYS HDy A 9 LYS HEx 1.0 . 6.40 147 120 A 9 LYS HEy A 9 LYS HDx 1.0 . 6.40 148 120 A 9 LYS HDy A 9 LYS HEy 1.0 . 6.40 149 121 A 10 HYP HA A 10 HYP HG 1.0 . 4.54 150 122 A 3 GLU HB2 A 3 GLU HGx 1.0 . 4.68 151 122 A 3 GLU HB2 A 3 GLU HGy 1.0 . 4.68 152 123 A 7 HIS H A 6 ALA HB% 1.0 . 4.88 153 124 A 7 HIS HD2 A 6 ALA HB% 1.0 . 6.52 154 125 A 4 TYR HD% A 6 ALA HB% 1.0 . 6.72 155 126 A 15 THR HA A 15 THR HG2% 1.0 . 5.03 156 127 A 4 TYR HE% A 6 ALA HB% 1.0 . 8.65 157 128 A 6 ALA HA A 6 ALA HB% 1.0 . 4.07 158 129 A 5 HIS HA A 6 ALA HB% 1.0 . 5.62 159 130 A 6 ALA H A 6 ALA HB% 1.0 . 3.98 160 131 A 15 THR HB A 15 THR HG2% 1.0 . 6.15 161 132 A 8 PRO HD3 A 6 ALA HB% 1.0 . 6.43 162 133 A 8 PRO HD2 A 6 ALA HB% 1.0 . 6.52 163 134 A 13 PHE HA A 12 SER HBx 1.0 . 4.31 164 134 A 12 SER HBy A 13 PHE HA 1.0 . 4.31 165 135 A 9 LYS HA A 11 ASN HBx 1.0 . 4.80 166 135 A 9 LYS HA A 11 ASN HBy 1.0 . 4.80 167 136 A 5 HIS HA A 5 HIS HB3 1.0 . 3.24 168 137 A 2 TRP HA A 2 TRP HBx 1.0 . 4.46 169 137 A 2 TRP HBy A 2 TRP HA 1.0 . 4.46 170 138 A 14 TRP HA A 14 TRP HB3 1.0 . 3.67 171 139 A 11 ASN HA A 11 ASN HBx 1.0 . 3.84 172 139 A 11 ASN HBy A 11 ASN HA 1.0 . 3.84 173 140 A 7 HIS HA A 8 PRO HD3 1.0 . 2.71 174 141 A 7 HIS HA A 8 PRO HD2 1.0 . 2.68 175 142 A 7 HIS HB3 A 8 PRO HD2 1.0 . 4.54 176 143 A 7 HIS HB2 A 8 PRO HD2 1.0 . 3.50 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.restraint_origin hbond _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 14 TRP H A 11 ASN O 1.0 . 2.2 2 2 A 11 ASN O A 14 TRP N 1.0 . 3.2 3 3 A 15 THR H A 12 SER O 1.0 . 2.2 4 4 A 15 THR H A 12 SER O 1.0 . 3.2 stop_ save_ save_DYANA/DIANA_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_4 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 1 ASP C A 2 TRP N A 2 TRP CA A 2 TRP C 1.0 -100.0 -30.0 PHI 2 2 A 3 GLU C A 4 TYR N A 4 TYR CA A 4 TYR C 1.0 -100.0 -30.0 PHI 3 3 A 5 HIS C A 6 ALA N A 6 ALA CA A 6 ALA C 1.0 -90.0 -40.0 PHI 4 4 A 8 PRO C A 9 LYS N A 9 LYS CA A 9 LYS C 1.0 -100.0 -30.0 PHI 5 5 A 10 HYP C A 11 ASN N A 11 ASN CA A 11 ASN C 1.0 -100.0 -30.0 PHI 6 6 A 14 TRP C A 15 THR N A 15 THR CA A 15 THR C 1.0 -165.0 -75.0 PHI stop_ save_