data_nef_c30449_6cxr 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 6CXR 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 4.233 . A 1 HIS HBx H 1 3.227 . A 1 HIS HBy H 1 3.227 . A 1 HIS HD2 H 1 7.110 . A 1 HIS HE1 H 1 8.399 . A 1 HIS CA C 13 55.381 . A 1 HIS CB C 13 29.240 . A 1 HIS CD2 C 13 121.007 . A 1 HIS CE1 C 13 137.585 . A 2 ARG HA H 1 4.363 . A 2 ARG HBx H 1 1.705 . A 2 ARG HBy H 1 1.705 . A 2 ARG HDx H 1 3.161 . A 2 ARG HDy H 1 3.161 . A 2 ARG HE H 1 7.135 . A 2 ARG HGy H 1 1.571 . A 2 ARG HGx H 1 1.508 . A 2 ARG CA C 13 56.117 . A 2 ARG CB C 13 31.078 . A 2 ARG CD C 13 43.621 . A 2 ARG CG C 13 27.233 . A 3 PHE H H 1 8.611 . A 3 PHE HA H 1 4.644 . A 3 PHE HBy H 1 3.077 . A 3 PHE HBx H 1 3.012 . A 3 PHE HDx H 1 7.268 . A 3 PHE HDy H 1 7.268 . A 3 PHE HEx H 1 7.268 . A 3 PHE HEy H 1 7.268 . A 3 PHE HZ H 1 7.336 . A 3 PHE CA C 13 54.939 . A 3 PHE CB C 13 39.866 . A 3 PHE CDx C 13 131.793 . A 3 PHE CDy C 13 131.793 . A 3 PHE CEx C 13 129.909 . A 3 PHE CEy C 13 129.909 . A 3 PHE CZ C 13 131.343 . A 4 LEU H H 1 8.263 . A 4 LEU HA H 1 4.343 . A 4 LEU HBx H 1 1.476 . A 4 LEU HBy H 1 1.476 . A 4 LEU HDx% H 1 0.819 . A 4 LEU HDy% H 1 0.865 . A 4 LEU HG H 1 1.530 . A 4 LEU CA C 13 54.807 . A 4 LEU CB C 13 42.980 . A 4 LEU CDx C 13 23.619 . A 4 LEU CDy C 13 24.867 . A 4 LEU CG C 13 26.776 . A 5 ARG H H 1 8.292 . A 5 ARG HA H 1 4.229 . A 5 ARG HBy H 1 1.785 . A 5 ARG HBx H 1 1.723 . A 5 ARG HDx H 1 3.202 . A 5 ARG HDy H 1 3.202 . A 5 ARG HE H 1 7.194 . A 5 ARG HGy H 1 1.613 . A 5 ARG HGx H 1 1.571 . A 5 ARG CA C 13 55.381 . A 5 ARG CB C 13 31.110 . A 5 ARG CD C 13 43.452 . A 5 ARG CG C 13 27.338 . A 6 HIS H H 1 8.559 . A 6 HIS HA H 1 4.663 . A 6 HIS HBy H 1 3.247 . A 6 HIS HBx H 1 3.162 . A 6 HIS HD2 H 1 7.306 . A 6 HIS HE1 H 1 8.583 . A 6 HIS CA C 13 57.491 . A 6 HIS CB C 13 29.853 . A 6 HIS CD2 C 13 120.063 . A 6 HIS CE1 C 13 136.453 . 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 3 PHE HD% A 3 PHE HBx 1.0 1.8 2.8 2 2 A 3 PHE HD% A 3 PHE HBy 1.0 1.8 2.8 3 3 A 4 LEU H A 5 ARG HDy 1.0 1.8 5.0 4 3 A 4 LEU H A 5 ARG HDx 1.0 1.8 5.0 5 4 A 2 ARG HE A 2 ARG HDy 1.0 1.8 3.4 6 4 A 2 ARG HE A 2 ARG HDx 1.0 1.8 3.4 7 5 A 5 ARG HE A 5 ARG HDy 1.0 1.8 2.8 8 5 A 5 ARG HDx A 5 ARG HE 1.0 1.8 2.8 9 6 A 3 PHE H A 2 ARG HBx 1.0 1.8 5.0 10 6 A 3 PHE H A 2 ARG HBy 1.0 1.8 5.0 11 7 A 5 ARG H A 4 LEU HBx 1.0 1.8 5.0 12 7 A 5 ARG H A 4 LEU HBy 1.0 1.8 5.0 13 8 A 3 PHE HD% A 3 PHE HBx 1.0 1.8 2.8 14 9 A 2 ARG HE A 2 ARG HDy 1.0 1.8 5.0 15 9 A 2 ARG HE A 2 ARG HDx 1.0 1.8 5.0 16 10 A 5 ARG HA A 5 ARG HDy 1.0 1.8 2.8 17 10 A 5 ARG HDx A 5 ARG HA 1.0 1.8 2.8 18 11 A 5 ARG HA A 5 ARG HDy 1.0 1.8 3.4 19 11 A 5 ARG HDx A 5 ARG HA 1.0 1.8 3.4 20 12 A 5 ARG HA A 5 ARG HDy 1.0 1.8 3.4 21 12 A 5 ARG HDx A 5 ARG HA 1.0 1.8 3.4 22 13 A 4 LEU H A 2 ARG HBx 1.0 1.8 5.0 23 13 A 4 LEU H A 2 ARG HBy 1.0 1.8 5.0 24 14 A 4 LEU H A 4 LEU HBx 1.0 1.8 3.4 25 14 A 4 LEU H A 4 LEU HBy 1.0 1.8 3.4 26 15 A 2 ARG HA A 2 ARG HBx 1.0 1.8 2.8 27 15 A 2 ARG HBy A 2 ARG HA 1.0 1.8 2.8 28 16 A 4 LEU HA A 4 LEU HBx 1.0 1.8 2.8 29 16 A 4 LEU HBy A 4 LEU HA 1.0 1.8 2.8 30 17 A 5 ARG HBy A 5 ARG HDy 1.0 1.8 3.4 31 17 A 5 ARG HDx A 5 ARG HBy 1.0 1.8 3.4 32 18 A 2 ARG HBy A 2 ARG HDy 1.0 1.8 2.8 33 18 A 2 ARG HBx A 2 ARG HDy 1.0 1.8 2.8 34 18 A 2 ARG HDx A 2 ARG HBx 1.0 1.8 2.8 35 18 A 2 ARG HDx A 2 ARG HBy 1.0 1.8 2.8 36 19 A 2 ARG HGy A 2 ARG HDy 1.0 1.8 2.8 37 19 A 2 ARG HDx A 2 ARG HGy 1.0 1.8 2.8 38 20 A 2 ARG HGy A 2 ARG HDy 1.0 1.8 2.8 39 20 A 2 ARG HDx A 2 ARG HGy 1.0 1.8 2.8 40 21 A 5 ARG HGx A 5 ARG HDy 1.0 1.8 2.8 41 21 A 5 ARG HDx A 5 ARG HGx 1.0 1.8 2.8 42 22 A 2 ARG HGx A 2 ARG HDy 1.0 1.8 2.8 43 22 A 2 ARG HDx A 2 ARG HGx 1.0 1.8 2.8 44 23 A 2 ARG HGx A 2 ARG HDy 1.0 1.8 2.8 45 23 A 2 ARG HDx A 2 ARG HGx 1.0 1.8 2.8 46 24 A 4 LEU HDy% A 4 LEU HBx 1.0 1.8 2.8 47 24 A 4 LEU HBy A 4 LEU HDy% 1.0 1.8 2.8 48 25 A 2 ARG HA A 2 ARG HBx 1.0 1.8 5.0 49 25 A 2 ARG HBy A 2 ARG HA 1.0 1.8 5.0 50 26 A 4 LEU HA A 4 LEU HBx 1.0 1.8 3.4 51 26 A 4 LEU HBy A 4 LEU HA 1.0 1.8 3.4 52 27 A 5 ARG HA A 5 ARG HDy 1.0 1.8 2.8 53 27 A 5 ARG HDx A 5 ARG HA 1.0 1.8 2.8 54 28 A 6 HIS HBx A 4 LEU HBx 1.0 1.8 2.8 55 28 A 4 LEU HBy A 6 HIS HBx 1.0 1.8 2.8 56 29 A 5 ARG HDx A 4 LEU HBx 1.0 1.8 5.0 57 29 A 5 ARG HDx A 4 LEU HBy 1.0 1.8 5.0 58 30 A 2 ARG HGx A 2 ARG HDy 1.0 1.8 2.8 59 30 A 2 ARG HDx A 2 ARG HGx 1.0 1.8 2.8 60 31 A 5 ARG HGx A 5 ARG HDy 1.0 1.8 2.8 61 31 A 5 ARG HDx A 5 ARG HGx 1.0 1.8 2.8 62 32 A 2 ARG HGy A 2 ARG HDy 1.0 1.8 2.8 63 32 A 2 ARG HDx A 2 ARG HGy 1.0 1.8 2.8 64 33 A 2 ARG HBy A 2 ARG HDy 1.0 1.8 2.8 65 33 A 2 ARG HBx A 2 ARG HDy 1.0 1.8 2.8 66 33 A 2 ARG HDx A 2 ARG HBx 1.0 1.8 2.8 67 33 A 2 ARG HDx A 2 ARG HBy 1.0 1.8 2.8 68 34 A 5 ARG HBy A 5 ARG HDy 1.0 1.8 2.8 69 34 A 5 ARG HDx A 5 ARG HBy 1.0 1.8 2.8 70 35 A 4 LEU HDy% A 4 LEU HBx 1.0 1.8 3.4 71 35 A 4 LEU HBy A 4 LEU HDy% 1.0 1.8 3.4 72 36 A 4 LEU HDx% A 4 LEU HBx 1.0 1.8 2.8 73 36 A 4 LEU HBy A 4 LEU HDx% 1.0 1.8 2.8 74 37 A 3 PHE HD% A 3 PHE HBy 1.0 1.8 3.4 75 38 A 5 ARG HE A 5 ARG HDy 1.0 1.8 5.0 76 38 A 5 ARG HDx A 5 ARG HE 1.0 1.8 5.0 77 39 A 3 PHE H A 2 ARG HBx 1.0 1.8 5.0 78 39 A 3 PHE H A 2 ARG HBy 1.0 1.8 5.0 79 40 A 4 LEU HG A 4 LEU HBx 1.0 1.8 3.4 80 40 A 4 LEU HBy A 4 LEU HG 1.0 1.8 3.4 81 41 A 3 PHE HD% A 3 PHE H 1.0 1.8 5.0 82 42 A 3 PHE HD% A 3 PHE H 1.0 1.8 5.0 83 43 A 3 PHE HZ A 3 PHE HE% 1.0 1.8 2.8 84 44 A 3 PHE HZ A 3 PHE HE% 1.0 1.8 2.8 85 45 A 2 ARG HE A 2 ARG HBx 1.0 1.8 5.0 86 45 A 2 ARG HE A 2 ARG HBy 1.0 1.8 5.0 87 46 A 1 HIS HD2 A 1 HIS HBy 1.0 1.8 5.0 88 47 A 1 HIS HD2 A 1 HIS HBx 1.0 1.8 2.8 89 48 A 1 HIS HD2 A 1 HIS HBx 1.0 1.8 3.4 90 49 A 1 HIS HD2 A 1 HIS HE1 1.0 1.8 5.0 91 50 A 2 ARG HA A 2 ARG HDy 1.0 1.8 5.0 92 51 A 2 ARG HE A 2 ARG HGx 1.0 1.8 5.0 93 52 A 2 ARG HA A 2 ARG HGy 1.0 1.8 3.4 94 53 A 2 ARG HA A 2 ARG HGy 1.0 1.8 5.0 95 54 A 2 ARG HE A 2 ARG HGy 1.0 1.8 5.0 96 55 A 2 ARG HGy A 2 ARG HGx 1.0 1.8 2.8 97 56 A 2 ARG HGy A 2 ARG HGx 1.0 1.8 3.4 98 57 A 3 PHE H A 1 HIS HBy 1.0 1.8 5.0 99 58 A 3 PHE HZ A 1 HIS HBy 1.0 1.8 5.0 100 59 A 3 PHE H A 2 ARG HA 1.0 1.8 2.8 101 60 A 3 PHE H A 2 ARG HA 1.0 1.8 3.4 102 61 A 3 PHE HBx A 3 PHE HA 1.0 1.8 2.8 103 62 A 3 PHE HBx A 3 PHE HA 1.0 1.8 5.0 104 63 A 3 PHE HBy A 3 PHE HA 1.0 1.8 2.8 105 64 A 3 PHE HBx A 3 PHE HBy 1.0 1.8 3.4 106 65 A 3 PHE HBx A 3 PHE HBy 1.0 1.8 2.8 107 66 A 3 PHE H A 3 PHE HA 1.0 1.8 3.4 108 67 A 3 PHE HBx A 3 PHE H 1.0 1.8 2.8 109 68 A 3 PHE HBy A 3 PHE H 1.0 1.8 3.4 110 69 A 3 PHE HBy A 3 PHE H 1.0 1.8 5.0 111 70 A 2 ARG HGx A 4 LEU HDx% 1.0 1.8 2.8 112 71 A 4 LEU H A 3 PHE HA 1.0 1.8 2.8 113 72 A 3 PHE HBx A 4 LEU H 1.0 1.8 5.0 114 73 A 3 PHE HBx A 4 LEU H 1.0 1.8 5.0 115 74 A 3 PHE HBy A 4 LEU H 1.0 1.8 5.0 116 75 A 3 PHE HBy A 4 LEU H 1.0 1.8 5.0 117 76 A 4 LEU HA A 4 LEU HDx% 1.0 1.8 5.0 118 77 A 4 LEU HA A 4 LEU HDx% 1.0 1.8 3.4 119 78 A 4 LEU HA A 4 LEU HDy% 1.0 1.8 5.0 120 79 A 4 LEU HA A 4 LEU HDy% 1.0 1.8 5.0 121 80 A 4 LEU HA A 4 LEU HG 1.0 1.8 3.4 122 81 A 4 LEU HDx% A 4 LEU HG 1.0 1.8 2.8 123 82 A 4 LEU HDy% A 4 LEU HG 1.0 1.8 2.8 124 83 A 4 LEU H A 4 LEU HA 1.0 1.8 2.8 125 84 A 4 LEU H A 4 LEU HDx% 1.0 1.8 5.0 126 85 A 4 LEU H A 4 LEU HDy% 1.0 1.8 5.0 127 86 A 4 LEU H A 4 LEU HG 1.0 1.8 2.8 128 87 A 4 LEU H A 4 LEU HG 1.0 1.8 3.4 129 88 A 5 ARG HA A 4 LEU HA 1.0 1.8 5.0 130 89 A 5 ARG HDx A 4 LEU HA 1.0 1.8 5.0 131 90 A 5 ARG H A 4 LEU HA 1.0 1.8 2.8 132 91 A 5 ARG H A 4 LEU HA 1.0 1.8 2.8 133 92 A 5 ARG HA A 5 ARG HBx 1.0 1.8 2.8 134 93 A 5 ARG HA A 5 ARG HBx 1.0 1.8 3.4 135 94 A 5 ARG HA A 5 ARG HBy 1.0 1.8 3.4 136 95 A 5 ARG HA A 5 ARG HBy 1.0 1.8 3.4 137 96 A 5 ARG HBy A 5 ARG HBx 1.0 1.8 2.8 138 97 A 5 ARG HE A 5 ARG HBx 1.0 1.8 5.0 139 98 A 5 ARG HE A 5 ARG HBy 1.0 1.8 5.0 140 99 A 5 ARG HA A 5 ARG HGx 1.0 1.8 3.4 141 100 A 5 ARG HA A 5 ARG HGx 1.0 1.8 3.4 142 101 A 5 ARG HBy A 5 ARG HGx 1.0 1.8 3.4 143 102 A 5 ARG HBy A 5 ARG HGx 1.0 1.8 2.8 144 103 A 5 ARG HBy A 5 ARG HGx 1.0 1.8 3.4 145 104 A 5 ARG HE A 5 ARG HGx 1.0 1.8 5.0 146 105 A 5 ARG HA A 5 ARG HGy 1.0 1.8 3.4 147 106 A 5 ARG HA A 5 ARG HGy 1.0 1.8 3.4 148 107 A 5 ARG H A 5 ARG HA 1.0 1.8 2.8 149 108 A 5 ARG H A 5 ARG HA 1.0 1.8 3.4 150 109 A 5 ARG H A 5 ARG HBx 1.0 1.8 3.4 151 110 A 5 ARG H A 5 ARG HBx 1.0 1.8 3.4 152 111 A 5 ARG H A 5 ARG HBy 1.0 1.8 3.4 153 112 A 5 ARG H A 5 ARG HBy 1.0 1.8 5.0 154 113 A 5 ARG H A 5 ARG HGx 1.0 1.8 5.0 155 114 A 5 ARG H A 5 ARG HGy 1.0 1.8 5.0 156 115 A 5 ARG H A 5 ARG HGy 1.0 1.8 5.0 157 116 A 4 LEU HA A 6 HIS HBx 1.0 1.8 5.0 158 117 A 6 HIS HBy A 4 LEU HBx 1.0 1.8 5.0 159 118 A 5 ARG HA A 6 HIS HBx 1.0 1.8 5.0 160 119 A 5 ARG HA A 6 HIS H 1.0 1.8 2.8 161 120 A 5 ARG HA A 6 HIS H 1.0 1.8 3.4 162 121 A 5 ARG HBx A 6 HIS H 1.0 1.8 5.0 163 122 A 5 ARG HBy A 6 HIS H 1.0 1.8 5.0 164 123 A 5 ARG H A 6 HIS H 1.0 1.8 5.0 165 124 A 6 HIS HBy A 6 HIS HA 1.0 1.8 5.0 166 125 A 6 HIS HBx A 6 HIS HBy 1.0 1.8 2.8 167 126 A 6 HIS HBx A 6 HIS HBy 1.0 1.8 2.8 168 127 A 6 HIS HA A 6 HIS HD2 1.0 1.8 3.4 169 128 A 6 HIS HA A 6 HIS HD2 1.0 1.8 5.0 170 129 A 6 HIS HBx A 6 HIS HD2 1.0 1.8 3.4 171 130 A 6 HIS HBx A 6 HIS HD2 1.0 1.8 5.0 172 131 A 6 HIS HBy A 6 HIS HD2 1.0 1.8 5.0 173 132 A 6 HIS HBy A 6 HIS HD2 1.0 1.8 5.0 174 133 A 6 HIS HBy A 6 HIS HD2 1.0 1.8 5.0 175 134 A 6 HIS H A 6 HIS HA 1.0 1.8 3.4 176 135 A 6 HIS HBx A 6 HIS H 1.0 1.8 3.4 177 136 A 6 HIS HBx A 6 HIS H 1.0 1.8 5.0 178 137 A 6 HIS HBy A 6 HIS H 1.0 1.8 5.0 179 138 A 6 HIS HBy A 6 HIS H 1.0 1.8 5.0 180 139 A 6 HIS HBy A 6 HIS H 1.0 1.8 5.0 stop_ save_