data_nef_c30446_6cxn 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 6CXN stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly 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 HIS start . . 2 A 2 ARG middle . . 3 A 3 PHE middle . . 4 A 4 LEU middle . . 5 A 5 ARG middle . . 6 A 6 HIS middle . . 7 A 7 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 HIS HA H 1 4.213 . A 1 HIS HBx H 1 3.224 . A 1 HIS HBy H 1 3.224 . A 1 HIS HD2 H 1 7.085 . A 1 HIS HE1 H 1 8.417 . A 1 HIS CA C 13 48.922 . A 1 HIS CB C 13 34.957 . A 1 HIS CD2 C 13 115.636 . A 1 HIS CE1 C 13 139.555 . A 2 ARG H H 1 8.674 . A 2 ARG HA H 1 4.335 . A 2 ARG HBx H 1 1.681 . A 2 ARG HBy H 1 1.681 . A 2 ARG HDx H 1 3.116 . A 2 ARG HDy H 1 3.116 . A 2 ARG HE H 1 7.116 . A 2 ARG HGx H 1 1.550 . A 2 ARG HGy H 1 1.550 . A 2 ARG CA C 13 49.593 . A 2 ARG CB C 13 35.927 . A 2 ARG CD C 13 42.577 . A 2 ARG CG C 13 42.388 . A 3 PHE H H 1 8.620 . A 3 PHE HA H 1 4.603 . A 3 PHE HBy H 1 3.048 . A 3 PHE HBx H 1 2.991 . A 3 PHE HDx H 1 7.229 . A 3 PHE HDy H 1 7.229 . A 3 PHE HEx H 1 7.229 . A 3 PHE HEy H 1 7.229 . A 3 PHE HZ H 1 7.298 . A 3 PHE CA C 13 50.341 . A 3 PHE CB C 13 40.705 . A 3 PHE CDx C 13 131.360 . A 3 PHE CDy C 13 131.360 . A 3 PHE CEx C 13 128.625 . A 3 PHE CEy C 13 128.625 . A 3 PHE CZ C 13 130.706 . A 4 LEU H H 1 8.262 . A 4 LEU HA H 1 4.315 . A 4 LEU HBx H 1 1.446 . A 4 LEU HBy H 1 1.446 . A 4 LEU HDx% H 1 0.778 . A 4 LEU HDy% H 1 0.841 . A 4 LEU HG H 1 1.489 . A 4 LEU CA C 13 48.744 . A 4 LEU CB C 13 42.405 . A 4 LEU CDx C 13 31.832 . A 4 LEU CDy C 13 32.515 . A 4 LEU CG C 13 33.567 . A 5 ARG H H 1 8.294 . A 5 ARG HA H 1 4.190 . A 5 ARG HBy H 1 1.757 . A 5 ARG HBx H 1 1.702 . A 5 ARG HDx H 1 3.162 . A 5 ARG HDy H 1 3.162 . A 5 ARG HE H 1 7.179 . A 5 ARG HGy H 1 1.591 . A 5 ARG HGx H 1 1.531 . A 5 ARG CA C 13 49.592 . A 5 ARG CB C 13 35.878 . A 5 ARG CD C 13 42.585 . A 5 ARG CG C 13 33.720 . A 6 HIS H H 1 8.567 . A 6 HIS HA H 1 4.623 . A 6 HIS HBy H 1 3.225 . A 6 HIS HBx H 1 3.134 . A 6 HIS HD2 H 1 7.286 . A 6 HIS HE1 H 1 8.562 . A 6 HIS CA C 13 48.955 . A 6 HIS CB C 13 34.908 . A 6 HIS CD2 C 13 114.267 . A 6 HIS CE1 C 13 138.183 . 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 1 HIS HD2 A 1 HIS HBx 1.0 1.8 3.4 2 1 A 1 HIS HD2 A 1 HIS HBy 1.0 1.8 3.4 3 2 A 3 PHE H A 2 ARG HBx 1.0 1.8 5.0 4 2 A 3 PHE H A 2 ARG HBy 1.0 1.8 5.0 5 3 A 5 ARG HE A 5 ARG HDx 1.0 1.8 3.4 6 3 A 5 ARG HE A 5 ARG HDy 1.0 1.8 3.4 7 4 A 5 ARG HE A 5 ARG HDx 1.0 1.8 3.4 8 4 A 5 ARG HE A 5 ARG HDy 1.0 1.8 3.4 9 5 A 2 ARG HE A 2 ARG HDx 1.0 1.8 3.4 10 5 A 2 ARG HE A 2 ARG HDy 1.0 1.8 3.4 11 6 A 2 ARG HE A 2 ARG HDx 1.0 1.8 3.4 12 6 A 2 ARG HE A 2 ARG HDy 1.0 1.8 3.4 13 7 A 4 LEU H A 4 LEU HBx 1.0 1.8 3.4 14 7 A 4 LEU HBy A 4 LEU H 1.0 1.8 3.4 15 8 A 1 HIS HD2 A 1 HIS HBx 1.0 1.8 5.0 16 8 A 1 HIS HD2 A 1 HIS HBy 1.0 1.8 5.0 17 9 A 2 ARG HE A 2 ARG HDx 1.0 1.8 5.0 18 9 A 2 ARG HE A 2 ARG HDy 1.0 1.8 5.0 19 10 A 5 ARG HE A 5 ARG HDx 1.0 1.8 5.0 20 10 A 5 ARG HE A 5 ARG HDy 1.0 1.8 5.0 21 11 A 5 ARG HE A 5 ARG HDx 1.0 1.8 5.0 22 11 A 5 ARG HE A 5 ARG HDy 1.0 1.8 5.0 23 12 A 3 PHE HBy A 3 PHE HDx 1.0 1.8 2.8 24 12 A 3 PHE HBy A 3 PHE HDy 1.0 1.8 2.8 25 13 A 3 PHE HBx A 3 PHE HDx 1.0 1.8 2.8 26 13 A 3 PHE HBx A 3 PHE HDy 1.0 1.8 2.8 27 14 A 1 HIS HA A 1 HIS HBx 1.0 1.8 5.0 28 14 A 1 HIS HBy A 1 HIS HA 1.0 1.8 5.0 29 15 A 5 ARG HA A 5 ARG HDx 1.0 1.8 3.4 30 15 A 5 ARG HDy A 5 ARG HA 1.0 1.8 3.4 31 16 A 4 LEU HA A 4 LEU HBx 1.0 1.8 3.4 32 16 A 4 LEU HBy A 4 LEU HA 1.0 1.8 3.4 33 17 A 2 ARG HA A 2 ARG HGx 1.0 1.8 5.0 34 17 A 2 ARG HGy A 2 ARG HA 1.0 1.8 5.0 35 18 A 1 HIS HA A 2 ARG HBx 1.0 1.8 5.0 36 18 A 2 ARG HBy A 1 HIS HA 1.0 1.8 5.0 37 19 A 2 ARG HA A 2 ARG HBx 1.0 1.8 2.8 38 19 A 2 ARG HBy A 2 ARG HA 1.0 1.8 2.8 39 20 A 5 ARG HBy A 5 ARG HDx 1.0 1.8 3.4 40 20 A 5 ARG HDy A 5 ARG HBy 1.0 1.8 3.4 41 21 A 5 ARG HBx A 5 ARG HDx 1.0 1.8 2.8 42 21 A 5 ARG HDy A 5 ARG HBx 1.0 1.8 2.8 43 22 A 2 ARG HBy A 2 ARG HDx 1.0 1.8 2.8 44 22 A 2 ARG HBx A 2 ARG HDx 1.0 1.8 2.8 45 22 A 2 ARG HDy A 2 ARG HBx 1.0 1.8 2.8 46 22 A 2 ARG HBy A 2 ARG HDy 1.0 1.8 2.8 47 23 A 5 ARG HGy A 5 ARG HDx 1.0 1.8 5.0 48 23 A 5 ARG HDy A 5 ARG HGy 1.0 1.8 5.0 49 24 A 2 ARG HDx A 2 ARG HGx 1.0 1.8 2.8 50 24 A 2 ARG HDy A 2 ARG HGx 1.0 1.8 2.8 51 24 A 2 ARG HGy A 2 ARG HDx 1.0 1.8 2.8 52 24 A 2 ARG HDy A 2 ARG HGy 1.0 1.8 2.8 53 25 A 5 ARG HGx A 5 ARG HDx 1.0 1.8 3.4 54 25 A 5 ARG HDy A 5 ARG HGx 1.0 1.8 3.4 55 26 A 4 LEU HDx% A 4 LEU HBx 1.0 1.8 3.4 56 26 A 4 LEU HBy A 4 LEU HDx% 1.0 1.8 3.4 57 27 A 4 LEU HDy% A 4 LEU HBx 1.0 1.8 2.8 58 27 A 4 LEU HBy A 4 LEU HDy% 1.0 1.8 2.8 59 28 A 4 LEU HDx% A 4 LEU HBx 1.0 1.8 3.4 60 28 A 4 LEU HBy A 4 LEU HDx% 1.0 1.8 3.4 61 29 A 5 ARG HBx A 5 ARG HDx 1.0 1.8 3.4 62 29 A 5 ARG HDy A 5 ARG HBx 1.0 1.8 3.4 63 30 A 5 ARG HBy A 5 ARG HDx 1.0 1.8 3.4 64 30 A 5 ARG HDy A 5 ARG HBy 1.0 1.8 3.4 65 31 A 2 ARG HBx A 2 ARG HDx 1.0 1.8 2.8 66 31 A 2 ARG HBy A 2 ARG HDx 1.0 1.8 2.8 67 31 A 2 ARG HDy A 2 ARG HBx 1.0 1.8 2.8 68 31 A 2 ARG HBy A 2 ARG HDy 1.0 1.8 2.8 69 32 A 5 ARG HGy A 5 ARG HDx 1.0 1.8 3.4 70 32 A 5 ARG HDy A 5 ARG HGy 1.0 1.8 3.4 71 33 A 2 ARG HDx A 2 ARG HGx 1.0 1.8 2.8 72 33 A 2 ARG HDy A 2 ARG HGx 1.0 1.8 2.8 73 33 A 2 ARG HGy A 2 ARG HDx 1.0 1.8 2.8 74 33 A 2 ARG HDy A 2 ARG HGy 1.0 1.8 2.8 75 34 A 5 ARG HGx A 5 ARG HDx 1.0 1.8 3.4 76 34 A 5 ARG HDy A 5 ARG HGx 1.0 1.8 3.4 77 35 A 2 ARG HA A 2 ARG HBx 1.0 1.8 2.8 78 35 A 2 ARG HBy A 2 ARG HA 1.0 1.8 2.8 79 36 A 4 LEU HA A 4 LEU HBx 1.0 1.8 2.8 80 36 A 4 LEU HBy A 4 LEU HA 1.0 1.8 2.8 81 37 A 2 ARG HA A 2 ARG HGx 1.0 1.8 5.0 82 37 A 2 ARG HGy A 2 ARG HA 1.0 1.8 5.0 83 38 A 4 LEU HDy% A 4 LEU HBx 1.0 1.8 3.4 84 38 A 4 LEU HBy A 4 LEU HDy% 1.0 1.8 3.4 85 39 A 1 HIS HA A 1 HIS HBx 1.0 1.8 2.8 86 39 A 1 HIS HBy A 1 HIS HA 1.0 1.8 2.8 87 40 A 2 ARG HA A 2 ARG HDx 1.0 1.8 5.0 88 40 A 2 ARG HDy A 2 ARG HA 1.0 1.8 5.0 89 41 A 2 ARG HA A 2 ARG HDx 1.0 1.8 5.0 90 41 A 2 ARG HDy A 2 ARG HA 1.0 1.8 5.0 91 42 A 3 PHE H A 3 PHE HDx 1.0 1.8 5.0 92 42 A 3 PHE H A 3 PHE HDy 1.0 1.8 5.0 93 43 A 3 PHE HZ A 3 PHE HE% 1.0 1.8 2.8 94 44 A 3 PHE HZ A 3 PHE HE% 1.0 1.8 2.8 95 45 A 5 ARG HA A 5 ARG HDx 1.0 1.8 5.0 96 45 A 5 ARG HDy A 5 ARG HA 1.0 1.8 5.0 97 46 A 1 HIS HD2 A 1 HIS HA 1.0 1.8 5.0 98 47 A 1 HIS HA A 2 ARG H 1.0 1.8 5.0 99 48 A 2 ARG HA A 3 PHE HDx 1.0 1.8 5.0 100 49 A 3 PHE H A 2 ARG HA 1.0 1.8 2.8 101 50 A 3 PHE H A 2 ARG HA 1.0 1.8 2.8 102 51 A 3 PHE HBx A 3 PHE HA 1.0 1.8 2.8 103 52 A 3 PHE HBx A 3 PHE HA 1.0 1.8 5.0 104 53 A 3 PHE HBy A 3 PHE HA 1.0 1.8 2.8 105 54 A 3 PHE HBy A 3 PHE HA 1.0 1.8 5.0 106 55 A 3 PHE HBy A 3 PHE HBx 1.0 1.8 2.8 107 56 A 3 PHE HBy A 3 PHE HBx 1.0 1.8 2.8 108 57 A 3 PHE H A 3 PHE HA 1.0 1.8 5.0 109 58 A 3 PHE H A 3 PHE HBx 1.0 1.8 3.4 110 59 A 3 PHE H A 3 PHE HBx 1.0 1.8 5.0 111 60 A 3 PHE H A 3 PHE HBy 1.0 1.8 3.4 112 61 A 3 PHE H A 3 PHE HBy 1.0 1.8 5.0 113 62 A 3 PHE HDx A 4 LEU HG 1.0 1.8 5.0 114 63 A 4 LEU H A 3 PHE HA 1.0 1.8 2.8 115 64 A 4 LEU H A 3 PHE HA 1.0 1.8 5.0 116 65 A 4 LEU H A 3 PHE HBx 1.0 1.8 5.0 117 66 A 4 LEU H A 3 PHE HBy 1.0 1.8 5.0 118 67 A 4 LEU HA A 4 LEU HDx% 1.0 1.8 3.4 119 68 A 4 LEU HA A 4 LEU HDx% 1.0 1.8 5.0 120 69 A 4 LEU HA A 4 LEU HDy% 1.0 1.8 5.0 121 70 A 4 LEU HA A 4 LEU HDy% 1.0 1.8 5.0 122 71 A 4 LEU HA A 4 LEU HG 1.0 1.8 3.4 123 72 A 4 LEU HA A 4 LEU HG 1.0 1.8 2.8 124 73 A 4 LEU HDx% A 4 LEU HG 1.0 1.8 2.8 125 74 A 4 LEU HDx% A 4 LEU HG 1.0 1.8 3.4 126 75 A 4 LEU HDy% A 4 LEU HG 1.0 1.8 2.8 127 76 A 4 LEU HDy% A 4 LEU HG 1.0 1.8 2.8 128 77 A 4 LEU H A 4 LEU HA 1.0 1.8 3.4 129 78 A 4 LEU H A 4 LEU HG 1.0 1.8 2.8 130 79 A 4 LEU H A 4 LEU HG 1.0 1.8 3.4 131 80 A 4 LEU HA A 5 ARG H 1.0 1.8 2.8 132 81 A 4 LEU HA A 5 ARG H 1.0 1.8 2.8 133 82 A 5 ARG HA A 5 ARG HBx 1.0 1.8 3.4 134 83 A 5 ARG HA A 5 ARG HBx 1.0 1.8 5.0 135 84 A 5 ARG HA A 5 ARG HBy 1.0 1.8 3.4 136 85 A 5 ARG HA A 5 ARG HBy 1.0 1.8 2.8 137 86 A 5 ARG HBy A 5 ARG HBx 1.0 1.8 3.4 138 87 A 5 ARG HBy A 5 ARG HBx 1.0 1.8 5.0 139 88 A 5 ARG HA A 5 ARG HGx 1.0 1.8 3.4 140 89 A 5 ARG HA A 5 ARG HGx 1.0 1.8 3.4 141 90 A 5 ARG HBy A 5 ARG HGx 1.0 1.8 2.8 142 91 A 5 ARG HBy A 5 ARG HGx 1.0 1.8 2.8 143 92 A 5 ARG HE A 5 ARG HGx 1.0 1.8 5.0 144 93 A 5 ARG HA A 5 ARG HGy 1.0 1.8 3.4 145 94 A 5 ARG HA A 5 ARG HGy 1.0 1.8 5.0 146 95 A 5 ARG HBy A 5 ARG HGy 1.0 1.8 2.8 147 96 A 5 ARG HBy A 5 ARG HGy 1.0 1.8 2.8 148 97 A 5 ARG HE A 5 ARG HGy 1.0 1.8 5.0 149 98 A 5 ARG HA A 5 ARG H 1.0 1.8 5.0 150 99 A 5 ARG HA A 5 ARG H 1.0 1.8 3.4 151 100 A 5 ARG HBx A 5 ARG H 1.0 1.8 5.0 152 101 A 5 ARG HBx A 5 ARG H 1.0 1.8 3.4 153 102 A 5 ARG HBy A 5 ARG H 1.0 1.8 5.0 154 103 A 5 ARG HBy A 5 ARG H 1.0 1.8 5.0 155 104 A 5 ARG HGy A 5 ARG H 1.0 1.8 5.0 156 105 A 5 ARG HE A 6 HIS HA 1.0 1.8 5.0 157 106 A 5 ARG HA A 6 HIS HD2 1.0 1.8 5.0 158 107 A 5 ARG HA A 6 HIS H 1.0 1.8 2.8 159 108 A 5 ARG HA A 6 HIS H 1.0 1.8 2.8 160 109 A 5 ARG HBx A 6 HIS H 1.0 1.8 5.0 161 110 A 6 HIS HA A 6 HIS HBx 1.0 1.8 2.8 162 111 A 6 HIS HA A 6 HIS HBx 1.0 1.8 5.0 163 112 A 6 HIS HA A 6 HIS HBy 1.0 1.8 2.8 164 113 A 6 HIS HA A 6 HIS HBy 1.0 1.8 5.0 165 114 A 6 HIS HBx A 6 HIS HBy 1.0 1.8 2.8 166 115 A 6 HIS HBx A 6 HIS HBy 1.0 1.8 2.8 167 116 A 6 HIS HA A 6 HIS HD2 1.0 1.8 5.0 168 117 A 6 HIS HA A 6 HIS HD2 1.0 1.8 5.0 169 118 A 6 HIS HD2 A 6 HIS HBx 1.0 1.8 5.0 170 119 A 6 HIS HD2 A 6 HIS HBy 1.0 1.8 5.0 171 120 A 6 HIS HD2 A 6 HIS HBy 1.0 1.8 5.0 172 121 A 6 HIS HD2 A 6 HIS HE1 1.0 1.8 5.0 173 122 A 6 HIS HA A 6 HIS H 1.0 1.8 5.0 174 123 A 6 HIS H A 6 HIS HBx 1.0 1.8 3.4 175 124 A 6 HIS H A 6 HIS HBx 1.0 1.8 5.0 176 125 A 6 HIS H A 6 HIS HBy 1.0 1.8 5.0 177 126 A 6 HIS H A 6 HIS HBy 1.0 1.8 5.0 stop_ save_