data_nef_c30544_6n68 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 6N68 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 12 LEU C 1 13 NH2 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 ILE start . . 2 A 2 LEU middle . . 3 A 3 GLY middle . false 4 A 4 THR middle . . 5 A 5 ILE middle . . 6 A 6 LEU middle . . 7 A 7 GLY middle . false 8 A 8 LEU middle . . 9 A 9 LEU middle . . 10 A 10 LYS middle . . 11 A 11 GLY middle . false 12 A 12 LEU middle -OXT . 13 A 13 NH2 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 1 ILE HA H 1 3.976 0.020 A 1 ILE HB H 1 2.083 0.020 A 1 ILE HD1% H 1 0.976 0.020 A 1 ILE HG1x H 1 1.215 0.020 A 1 ILE HG1y H 1 1.508 0.020 A 1 ILE HG2% H 1 1.029 0.020 A 2 LEU H H 1 8.563 0.020 A 2 LEU HA H 1 4.198 0.020 A 2 LEU HBx H 1 1.714 0.020 A 2 LEU HBy H 1 1.900 0.020 A 2 LEU HDx% H 1 0.934 0.020 A 2 LEU HDy% H 1 0.971 0.020 A 2 LEU HG H 1 1.209 0.020 A 3 GLY H H 1 8.670 0.020 A 3 GLY HAx H 1 3.800 0.020 A 3 GLY HAy H 1 4.072 0.020 A 4 THR H H 1 7.915 0.020 A 4 THR HA H 1 4.270 0.020 A 4 THR HB H 1 4.039 0.020 A 4 THR HG2% H 1 1.221 0.020 A 5 ILE H H 1 8.057 0.020 A 5 ILE HA H 1 3.724 0.020 A 5 ILE HB H 1 2.057 0.020 A 5 ILE HG12 H 1 1.656 0.020 A 5 ILE HG13 H 1 1.656 0.020 A 5 ILE HG2% H 1 0.900 0.020 A 6 LEU H H 1 8.344 0.020 A 6 LEU HA H 1 4.010 0.020 A 6 LEU HBx H 1 1.607 0.020 A 6 LEU HBy H 1 1.743 0.020 A 6 LEU HDx% H 1 0.964 0.020 A 6 LEU HDy% H 1 0.909 0.020 A 7 GLY H H 1 7.966 0.020 A 7 GLY HAx H 1 3.786 0.020 A 7 GLY HAy H 1 3.894 0.020 A 8 LEU H H 1 7.706 0.020 A 8 LEU HA H 1 4.196 0.020 A 8 LEU HBx H 1 1.569 0.020 A 8 LEU HBy H 1 1.994 0.020 A 8 LEU HD1% H 1 0.909 0.020 A 8 LEU HD2% H 1 0.909 0.020 A 8 LEU HG H 1 1.821 0.020 A 9 LEU H H 1 8.081 0.020 A 9 LEU HA H 1 4.055 0.020 A 9 LEU HB2 H 1 1.911 0.020 A 9 LEU HB3 H 1 1.911 0.020 A 9 LEU HD1% H 1 0.847 0.020 A 9 LEU HD2% H 1 0.847 0.020 A 9 LEU HG H 1 1.528 0.020 A 10 LYS H H 1 8.185 0.020 A 10 LYS HA H 1 3.997 0.020 A 10 LYS HB2 H 1 1.856 0.020 A 10 LYS HB3 H 1 1.856 0.020 A 10 LYS HD3 H 1 1.683 0.020 A 10 LYS HE2 H 1 2.943 0.020 A 10 LYS HE3 H 1 2.943 0.020 A 10 LYS HG2 H 1 1.474 0.020 A 10 LYS HG3 H 1 1.474 0.020 A 10 LYS HZ1 H 1 7.488 0.020 A 10 LYS HZ2 H 1 7.488 0.020 A 10 LYS HZ3 H 1 7.488 0.020 A 11 GLY H H 1 7.787 0.020 A 11 GLY HAx H 1 3.907 0.020 A 11 GLY HAy H 1 4.004 0.020 A 12 LEU H H 1 7.590 0.020 A 12 LEU HA H 1 4.199 0.020 A 12 LEU HB2 H 1 1.945 0.020 A 12 LEU HB3 H 1 1.945 0.020 A 12 LEU HDx% H 1 0.955 0.020 A 12 LEU HDy% H 1 0.889 0.020 A 12 LEU HG H 1 1.552 0.020 A 13 NH2 HN1 H 1 6.945 0.020 A 13 NH2 HN2 H 1 7.189 0.020 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 LEU H A 3 GLY H 1.0 1.8 4.29 2 2 A 4 THR HG2% A 8 LEU H 1.0 1.8 5.09 3 3 A 4 THR HG2% A 6 LEU H 1.0 1.8 5.10 4 4 A 4 THR HG2% A 5 ILE HG12 1.0 1.8 3.51 5 4 A 4 THR HG2% A 5 ILE HG13 1.0 1.8 3.51 6 5 A 4 THR HG2% A 5 ILE HA 1.0 1.8 3.82 7 6 A 11 GLY H A 12 LEU HDy% 1.0 1.8 4.99 8 7 A 11 GLY H A 12 LEU HG 1.0 1.8 4.93 9 8 A 11 GLY H A 10 LYS H 1.0 1.8 3.49 10 9 A 11 GLY H A 12 LEU HDx% 1.0 1.8 5.41 11 10 A 11 GLY H A 12 LEU H 1.0 1.8 3.35 12 11 A 11 GLY H A 8 LEU HA 1.0 1.8 4.03 13 12 A 11 GLY H A 9 LEU HD1% 1.0 1.8 5.49 14 12 A 11 GLY H A 9 LEU HD2% 1.0 1.8 5.49 15 13 A 12 LEU HDy% A 12 LEU H 1.0 1.8 4.06 16 14 A 4 THR HA A 5 ILE HG12 1.0 1.8 4.96 17 14 A 5 ILE HG13 A 4 THR HA 1.0 1.8 4.96 18 15 A 4 THR HG2% A 5 ILE H 1.0 1.8 3.98 19 16 A 5 ILE HG2% A 5 ILE HG12 1.0 1.8 3.49 20 16 A 5 ILE HG13 A 5 ILE HG2% 1.0 1.8 3.49 21 17 A 5 ILE HA A 5 ILE HG12 1.0 1.8 4.03 22 17 A 5 ILE HG13 A 5 ILE HA 1.0 1.8 4.03 23 18 A 5 ILE H A 5 ILE HG12 1.0 1.8 4.06 24 18 A 5 ILE HG13 A 5 ILE H 1.0 1.8 4.06 25 19 A 6 LEU HA A 9 LEU HB2 1.0 1.8 3.50 26 19 A 6 LEU HA A 9 LEU HB3 1.0 1.8 3.50 27 20 A 9 LEU HG A 10 LYS HA 1.0 1.8 4.67 28 21 A 3 GLY HAy A 6 LEU HBx 1.0 1.8 4.45 29 22 A 3 GLY HAy A 6 LEU HDx% 1.0 1.8 4.81 30 23 A 5 ILE HA A 8 LEU HBx 1.0 1.8 4.01 31 24 A 3 GLY H A 2 LEU HDx% 1.0 1.8 4.84 32 25 A 12 LEU HDx% A 9 LEU H 1.0 1.8 4.86 33 26 A 12 LEU H A 9 LEU HD1% 1.0 1.8 5.07 34 26 A 12 LEU H A 9 LEU HD2% 1.0 1.8 5.07 35 27 A 8 LEU H A 9 LEU HD1% 1.0 1.8 5.23 36 27 A 8 LEU H A 9 LEU HD2% 1.0 1.8 5.23 37 28 A 7 GLY H A 8 LEU HG 1.0 1.8 5.02 38 29 A 8 LEU HBx A 7 GLY H 1.0 1.8 5.03 39 30 A 10 LYS H A 10 LYS HDx 1.0 1.8 4.17 40 31 A 10 LYS HA A 10 LYS HDx 1.0 1.8 4.80 41 32 A 2 LEU H A 1 ILE HG2% 1.0 1.8 4.43 42 33 A 3 GLY H A 1 ILE HG2% 1.0 1.8 5.13 43 34 A 2 LEU H A 1 ILE HB 1.0 1.8 4.18 44 35 A 1 ILE HA A 1 ILE HD1% 1.0 1.8 4.70 45 36 A 1 ILE HB A 1 ILE HD1% 1.0 1.8 4.01 46 37 A 1 ILE HG2% A 1 ILE HA 1.0 1.8 3.60 47 38 A 5 ILE HA A 5 ILE HG2% 1.0 1.8 3.16 48 39 A 10 LYS H A 9 LEU HD1% 1.0 1.8 4.66 49 39 A 10 LYS H A 9 LEU HD2% 1.0 1.8 4.66 50 40 A 10 LYS H A 10 LYS HG2 1.0 1.8 4.11 51 40 A 10 LYS H A 10 LYS HG3 1.0 1.8 4.11 52 41 A 10 LYS H A 9 LEU H 1.0 1.8 3.49 53 42 A 10 LYS H A 7 GLY HAy 1.0 1.8 4.46 54 43 A 10 LYS H A 12 LEU HDx% 1.0 1.8 5.15 55 44 A 10 LYS H A 10 LYS HB2 1.0 1.8 3.32 56 44 A 10 LYS H A 10 LYS HB3 1.0 1.8 3.32 57 45 A 10 LYS H A 9 LEU HB2 1.0 1.8 3.21 58 45 A 10 LYS H A 9 LEU HB3 1.0 1.8 3.21 59 46 A 10 LYS H A 8 LEU HA 1.0 1.8 4.66 60 47 A 2 LEU HA A 4 THR H 1.0 1.8 4.39 61 48 A 1 ILE HA A 4 THR H 1.0 1.8 4.92 62 49 A 4 THR H A 4 THR HB 1.0 1.8 3.33 63 50 A 4 THR H A 5 ILE HB 1.0 1.8 4.77 64 51 A 4 THR HG2% A 4 THR H 1.0 1.8 3.90 65 52 A 3 GLY H A 4 THR H 1.0 1.8 3.55 66 53 A 6 LEU H A 2 LEU HA 1.0 1.8 4.85 67 54 A 6 LEU H A 7 GLY H 1.0 1.8 3.57 68 55 A 8 LEU H A 6 LEU H 1.0 1.8 4.67 69 56 A 6 LEU H A 6 LEU HBx 1.0 1.8 3.51 70 57 A 6 LEU H A 3 GLY HAy 1.0 1.8 4.77 71 58 A 6 LEU H A 6 LEU HDx% 1.0 1.8 4.27 72 59 A 6 LEU H A 5 ILE HB 1.0 1.8 3.70 73 60 A 6 LEU H A 4 THR HA 1.0 1.8 4.87 74 61 A 6 LEU H A 7 GLY HAx 1.0 1.8 4.63 75 62 A 6 LEU H A 5 ILE H 1.0 1.8 3.91 76 63 A 6 LEU H A 9 LEU HB2 1.0 1.8 5.31 77 63 A 6 LEU H A 9 LEU HB3 1.0 1.8 5.31 78 64 A 6 LEU H A 6 LEU HBy 1.0 1.8 3.67 79 65 A 8 LEU H A 7 GLY H 1.0 1.8 3.50 80 66 A 6 LEU HBx A 7 GLY H 1.0 1.8 4.02 81 67 A 6 LEU HDx% A 7 GLY H 1.0 1.8 5.08 82 68 A 7 GLY H A 8 LEU HD1% 1.0 1.8 4.53 83 68 A 7 GLY H A 8 LEU HD2% 1.0 1.8 4.53 84 69 A 8 LEU HA A 7 GLY H 1.0 1.8 4.81 85 70 A 7 GLY H A 6 LEU HBy 1.0 1.8 3.98 86 71 A 5 ILE HA A 8 LEU HG 1.0 1.8 4.41 87 72 A 8 LEU HA A 8 LEU HG 1.0 1.8 4.06 88 73 A 9 LEU HA A 9 LEU HD1% 1.0 1.8 3.16 89 73 A 9 LEU HD2% A 9 LEU HA 1.0 1.8 3.16 90 74 A 8 LEU H A 8 LEU HBx 1.0 1.8 3.46 91 75 A 8 LEU H A 8 LEU HG 1.0 1.8 3.70 92 76 A 8 LEU H A 9 LEU HA 1.0 1.8 5.26 93 77 A 8 LEU H A 5 ILE HA 1.0 1.8 3.90 94 78 A 8 LEU H A 8 LEU HBy 1.0 1.8 3.63 95 79 A 8 LEU H A 8 LEU HD1% 1.0 1.8 3.72 96 79 A 8 LEU H A 8 LEU HD2% 1.0 1.8 3.72 97 80 A 8 LEU H A 9 LEU HB2 1.0 1.8 4.30 98 80 A 8 LEU H A 9 LEU HB3 1.0 1.8 4.30 99 81 A 2 LEU H A 2 LEU HDy% 1.0 1.8 4.76 100 82 A 10 LYS HA A 10 LYS HG2 1.0 1.8 3.84 101 82 A 10 LYS HA A 10 LYS HG3 1.0 1.8 3.84 102 83 A 8 LEU HBx A 9 LEU H 1.0 1.8 3.88 103 84 A 9 LEU H A 9 LEU HD1% 1.0 1.8 4.03 104 84 A 9 LEU HD2% A 9 LEU H 1.0 1.8 4.03 105 85 A 8 LEU H A 9 LEU H 1.0 1.8 3.49 106 86 A 6 LEU HA A 9 LEU H 1.0 1.8 3.95 107 87 A 9 LEU H A 7 GLY HAx 1.0 1.8 4.84 108 88 A 9 LEU H A 9 LEU HB2 1.0 1.8 3.12 109 88 A 9 LEU HB3 A 9 LEU H 1.0 1.8 3.12 110 89 A 7 GLY H A 4 THR HB 1.0 1.8 5.48 111 90 A 9 LEU H A 7 GLY HAy 1.0 1.8 5.33 112 91 A 12 LEU HDx% A 9 LEU HA 1.0 1.8 3.83 113 92 A 12 LEU HG A 12 LEU HB2 1.0 1.8 2.95 114 92 A 12 LEU HG A 12 LEU HB3 1.0 1.8 2.95 115 93 A 12 LEU HDx% A 12 LEU HB2 1.0 1.8 3.10 116 93 A 12 LEU HDx% A 12 LEU HB3 1.0 1.8 3.10 117 94 A 10 LYS H A 9 LEU HG 1.0 1.8 4.64 118 95 A 9 LEU HG A 9 LEU HA 1.0 1.8 3.62 119 96 A 5 ILE HA A 8 LEU HBy 1.0 1.8 4.19 120 97 A 12 LEU H A 9 LEU HA 1.0 1.8 3.87 121 98 A 12 LEU HG A 12 LEU H 1.0 1.8 3.65 122 99 A 12 LEU HDx% A 12 LEU H 1.0 1.8 3.91 123 100 A 12 LEU H A 12 LEU HB2 1.0 1.8 2.99 124 100 A 12 LEU H A 12 LEU HB3 1.0 1.8 2.99 125 101 A 6 LEU HA A 6 LEU HDy% 1.0 1.8 3.32 126 102 A 6 LEU HBy A 6 LEU HDy% 1.0 1.8 3.63 127 103 A 1 ILE HD1% A 4 THR H 1.0 1.8 5.18 128 104 A 6 LEU HBx A 6 LEU HDx% 1.0 1.8 3.44 129 105 A 6 LEU HDx% A 10 LYS HE2 1.0 1.8 5.34 130 105 A 6 LEU HDx% A 10 LYS HE3 1.0 1.8 5.34 131 106 A 6 LEU HA A 6 LEU HDx% 1.0 1.8 3.80 132 107 A 3 GLY H A 2 LEU HDy% 1.0 1.8 5.50 133 108 A 2 LEU HA A 5 ILE HB 1.0 1.8 4.25 134 109 A 4 THR HG2% A 7 GLY H 1.0 1.8 5.35 135 110 A 4 THR HG2% A 4 THR HA 1.0 1.8 3.36 136 111 A 3 GLY H A 2 LEU HG 1.0 1.8 5.35 137 112 A 10 LYS H A 10 LYS HE2 1.0 1.8 5.50 138 112 A 10 LYS H A 10 LYS HE3 1.0 1.8 5.50 139 113 A 10 LYS HB2 A 10 LYS HE2 1.0 1.8 5.22 140 113 A 10 LYS HB3 A 10 LYS HE2 1.0 1.8 5.22 141 113 A 10 LYS HE3 A 10 LYS HB2 1.0 1.8 5.22 142 113 A 10 LYS HB3 A 10 LYS HE3 1.0 1.8 5.22 143 114 A 10 LYS HA A 10 LYS HE2 1.0 1.8 5.29 144 114 A 10 LYS HA A 10 LYS HE3 1.0 1.8 5.29 145 115 A 10 LYS H A 7 GLY HAx 1.0 1.8 4.99 146 116 A 5 ILE H A 5 ILE HG2% 1.0 1.8 4.28 147 117 A 5 ILE H A 4 THR H 1.0 1.8 3.77 148 118 A 5 ILE H A 4 THR HB 1.0 1.8 4.27 149 119 A 5 ILE H A 5 ILE HB 1.0 1.8 3.60 150 120 A 2 LEU H A 2 LEU HBy 1.0 1.8 3.94 151 121 A 2 LEU H A 2 LEU HBx 1.0 1.8 4.05 152 122 A 2 LEU H A 2 LEU HDx% 1.0 1.8 4.62 153 123 A 8 LEU HBx A 8 LEU HD1% 1.0 1.8 3.36 154 123 A 8 LEU HBx A 8 LEU HD2% 1.0 1.8 3.36 155 124 A 8 LEU HBy A 8 LEU HD1% 1.0 1.8 3.21 156 124 A 8 LEU HD2% A 8 LEU HBy 1.0 1.8 3.21 157 125 A 8 LEU HA A 8 LEU HD1% 1.0 1.8 2.85 158 125 A 8 LEU HA A 8 LEU HD2% 1.0 1.8 2.85 159 126 A 2 LEU HDy% A 2 LEU HBy 1.0 1.8 3.31 160 127 A 2 LEU HDx% A 2 LEU HBy 1.0 1.8 3.56 161 128 A 3 GLY H A 2 LEU HA 1.0 1.8 3.50 162 129 A 3 GLY H A 1 ILE HA 1.0 1.8 4.69 163 130 A 3 GLY H A 1 ILE HB 1.0 1.8 4.91 164 131 A 3 GLY H A 4 THR HA 1.0 1.8 4.79 165 132 A 3 GLY H A 2 LEU HBy 1.0 1.8 3.95 166 133 A 3 GLY H A 2 LEU HBx 1.0 1.8 4.15 167 134 A 4 THR H A 2 LEU HBx 1.0 1.8 5.27 168 135 A 7 GLY H A 9 LEU HB2 1.0 1.8 5.10 169 135 A 9 LEU HB3 A 7 GLY H 1.0 1.8 5.10 170 136 A 9 LEU HB3 A 9 LEU HD1% 1.0 1.8 3.29 171 136 A 9 LEU HB2 A 9 LEU HD1% 1.0 1.8 3.29 172 136 A 9 LEU HD2% A 9 LEU HB2 1.0 1.8 3.29 173 136 A 9 LEU HD2% A 9 LEU HB3 1.0 1.8 3.29 174 137 A 2 LEU H A 2 LEU HG 1.0 1.8 5.50 175 138 A 6 LEU HDx% A 6 LEU HBy 1.0 1.8 3.68 176 139 A 9 LEU H A 8 LEU HBy 1.0 1.8 4.04 177 140 A 6 LEU HDy% A 10 LYS HE2 1.0 1.8 5.31 178 140 A 6 LEU HDy% A 10 LYS HE3 1.0 1.8 5.31 179 141 A 12 LEU HDy% A 12 LEU HB2 1.0 1.8 3.01 180 141 A 12 LEU HDy% A 12 LEU HB3 1.0 1.8 3.01 181 142 A 3 GLY HAy A 6 LEU HBy 1.0 1.8 4.83 182 143 A 4 THR HA A 8 LEU HD1% 1.0 1.8 5.50 183 143 A 4 THR HA A 8 LEU HD2% 1.0 1.8 5.50 stop_ save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 1 _nef_nmr_spectrum.chemical_shift_list . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 2 Hz . . 6598.480 . . . . stop_ save_