data_nef_c25764_2n6h 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 25765 PDB 2N6H 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 1 ACE C 1 2 GLU N 1 7 LYS C 1 8 4G6 NAC 1 16 ACE C 1 15 ARG N 1 15 ARG C 1 14 ILE N 1 14 ILE C 1 13 PHE N 1 13 PHE C 1 12 LYS N 1 12 LYS C 1 11 GLN N 1 11 GLN C 1 10 VAL N 1 10 VAL C 1 9 DPR N 1 9 DPR C 1 8 4G6 NAD 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 0 ACE start . . 2 A 1 GLU middle . . 3 A 2 ARG middle . . 4 A 3 PHE middle . . 5 A 4 TYR middle . . 6 A 5 GLU middle . . 7 A 6 LYS middle . . 8 A 7 4G6 middle . . 9 A 8 DPR middle . . 10 A 9 VAL middle . . 11 A 10 GLN middle . . 12 A 11 LYS middle . . 13 A 12 PHE middle . . 14 A 13 ILE middle . . 15 A 14 ARG middle . . 16 A 15 ACE 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 GLU H H 1 8.411 . A 1 GLU HA H 1 4.136 . A 1 GLU HBx H 1 1.912 . A 1 GLU HBy H 1 1.912 . A 1 GLU HGy H 1 2.364 . A 1 GLU HGx H 1 2.276 . A 2 ARG H H 1 8.402 . A 2 ARG HA H 1 4.258 . A 2 ARG HBy H 1 1.620 . A 2 ARG HBx H 1 1.564 . A 2 ARG HDx H 1 3.067 . A 2 ARG HDy H 1 3.067 . A 2 ARG HE H 1 7.137 . A 2 ARG HGx H 1 1.395 . A 2 ARG HGy H 1 1.395 . A 3 PHE H H 1 8.284 . A 3 PHE HA H 1 4.573 . A 3 PHE HBy H 1 3.012 . A 3 PHE HBx H 1 2.849 . A 3 PHE HDx H 1 7.002 . A 3 PHE HDy H 1 7.002 . A 3 PHE HEx H 1 7.554 . A 3 PHE HEy H 1 7.554 . A 3 PHE HZ H 1 7.280 . A 4 TYR H H 1 8.190 . A 4 TYR HA H 1 4.708 . A 4 TYR HBy H 1 2.964 . A 4 TYR HBx H 1 2.863 . A 4 TYR HDx H 1 7.048 . A 4 TYR HDy H 1 7.048 . A 4 TYR HEx H 1 6.764 . A 4 TYR HEy H 1 6.764 . A 5 GLU H H 1 8.405 . A 5 GLU HA H 1 4.400 . A 5 GLU HBx H 1 2.047 . A 5 GLU HBy H 1 2.047 . A 5 GLU HGx H 1 2.357 . A 5 GLU HGy H 1 2.357 . A 6 LYS H H 1 8.487 . A 6 LYS HA H 1 4.450 . A 6 LYS HBy H 1 1.825 . A 6 LYS HBx H 1 1.816 . A 6 LYS HDx H 1 1.709 . A 6 LYS HDy H 1 1.709 . A 6 LYS HEx H 1 2.989 . A 6 LYS HEy H 1 2.989 . A 6 LYS HGy H 1 1.525 . A 6 LYS HGx H 1 1.429 . A 6 LYS HZ1 H 1 7.624 . A 6 LYS HZ2 H 1 7.624 . A 6 LYS HZ3 H 1 7.624 . A 7 4G6 HAA H 1 1.175 . A 7 4G6 HAD H 1 1.282 . A 7 4G6 HAG H 1 3.499 . A 7 4G6 HAH H 1 3.542 . A 7 4G6 HAI H 1 8.022 . A 8 DPR HA H 1 4.277 . A 8 DPR HBy H 1 2.241 . A 8 DPR HBx H 1 1.915 . A 8 DPR HDx H 1 3.792 . A 8 DPR HDy H 1 3.792 . A 8 DPR HGx H 1 0.925 . A 8 DPR HGy H 1 0.925 . A 9 VAL H H 1 8.625 . A 9 VAL HA H 1 4.526 . A 9 VAL HB H 1 2.024 . A 9 VAL HG1% H 1 0.941 . A 9 VAL HG2% H 1 0.941 . A 10 GLN H H 1 8.609 . A 10 GLN HA H 1 4.474 . A 10 GLN HBx H 1 1.974 . A 10 GLN HBy H 1 1.974 . A 10 GLN HGx H 1 2.253 . A 10 GLN HGy H 1 2.253 . A 11 LYS H H 1 8.350 . A 11 LYS HA H 1 4.315 . A 11 LYS HBx H 1 1.733 . A 11 LYS HBy H 1 1.733 . A 11 LYS HDx H 1 1.650 . A 11 LYS HDy H 1 1.650 . A 11 LYS HEx H 1 2.959 . A 11 LYS HEy H 1 2.959 . A 11 LYS HGx H 1 1.356 . A 11 LYS HGy H 1 1.356 . A 11 LYS HZ1 H 1 7.621 . A 11 LYS HZ2 H 1 7.621 . A 11 LYS HZ3 H 1 7.621 . A 12 PHE H H 1 8.588 . A 12 PHE HA H 1 4.678 . A 12 PHE HBy H 1 2.988 . A 12 PHE HBx H 1 2.925 . A 12 PHE HDx H 1 7.168 . A 12 PHE HDy H 1 7.168 . A 12 PHE HEx H 1 7.282 . A 12 PHE HEy H 1 7.282 . A 12 PHE HZ H 1 7.268 . A 13 ILE H H 1 8.276 . A 13 ILE HA H 1 4.162 . A 13 ILE HB H 1 1.756 . A 13 ILE HD1% H 1 1.137 . A 13 ILE HG1y H 1 1.414 . A 13 ILE HG1x H 1 0.818 . A 13 ILE HG2% H 1 0.631 . A 14 ARG H H 1 8.353 . A 14 ARG HA H 1 4.196 . A 14 ARG HBy H 1 1.631 . A 14 ARG HBx H 1 1.526 . A 14 ARG HDx H 1 3.056 . A 14 ARG HDy H 1 3.056 . A 14 ARG HE H 1 7.140 . A 14 ARG HGx H 1 1.405 . A 14 ARG HGy H 1 1.405 . stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _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 GLU HA A 1 GLU HBx 1.0 2.2 5.5 2 1 A 1 GLU HA A 1 GLU HBy 1.0 2.2 5.5 3 2 A 1 GLU H A 1 GLU HA 1.0 1.7 3.7 4 3 A 1 GLU HA A 2 ARG H 1.0 1.4 3.0 5 4 A 1 GLU HBy A 1 GLU HGy 1.0 1.3 2.7 6 4 A 1 GLU HBx A 1 GLU HGy 1.0 1.3 2.7 7 4 A 1 GLU HGx A 1 GLU HBx 1.0 1.3 2.7 8 4 A 1 GLU HBy A 1 GLU HGx 1.0 1.3 2.7 9 5 A 1 GLU H A 1 GLU HBx 1.0 1.5 3.1 10 5 A 1 GLU H A 1 GLU HBy 1.0 1.5 3.1 11 6 A 2 ARG H A 2 ARG HA 1.0 1.9 3.9 12 7 A 2 ARG HE A 2 ARG HBy 1.0 1.8 6.3 13 7 A 2 ARG HBx A 2 ARG HE 1.0 1.8 6.3 14 8 A 2 ARG H A 2 ARG HBy 1.0 2.0 4.2 15 8 A 2 ARG H A 2 ARG HBx 1.0 2.0 4.2 16 9 A 2 ARG HE A 2 ARG HDx 1.0 1.8 6.8 17 9 A 2 ARG HE A 2 ARG HDy 1.0 1.8 6.8 18 10 A 2 ARG H A 2 ARG HDx 1.0 1.8 5.0 19 10 A 2 ARG H A 2 ARG HDy 1.0 1.8 5.0 20 11 A 2 ARG HE A 2 ARG HGx 1.0 1.8 5.0 21 11 A 2 ARG HE A 2 ARG HGy 1.0 1.8 5.0 22 12 A 2 ARG H A 2 ARG HGx 1.0 2.0 4.2 23 12 A 2 ARG H A 2 ARG HGy 1.0 2.0 4.2 24 13 A 4 TYR HA A 4 TYR HBy 1.0 2.2 4.6 25 13 A 4 TYR HA A 4 TYR HBx 1.0 2.2 4.6 26 14 A 4 TYR HA A 4 TYR HBy 1.0 1.8 3.6 27 14 A 4 TYR HA A 4 TYR HBx 1.0 1.8 3.6 28 15 A 4 TYR HA A 4 TYR HD% 1.0 2.8 6.0 29 16 A 4 TYR HBy A 4 TYR HD% 1.0 1.9 4.1 30 16 A 4 TYR HBx A 4 TYR HD% 1.0 1.9 4.1 31 17 A 4 TYR HBy A 4 TYR HD% 1.0 1.8 3.8 32 17 A 4 TYR HBx A 4 TYR HD% 1.0 1.8 3.8 33 18 A 5 GLU HA A 5 GLU HGx 1.0 1.7 3.5 34 18 A 5 GLU HA A 5 GLU HGy 1.0 1.7 3.5 35 19 A 5 GLU HA A 5 GLU H 1.0 1.8 3.8 36 20 A 5 GLU H A 5 GLU HGx 1.0 1.5 3.3 37 20 A 5 GLU HGy A 5 GLU H 1.0 1.5 3.3 38 21 A 6 LYS HA A 6 LYS HBy 1.0 2.3 4.9 39 21 A 6 LYS HA A 6 LYS HBx 1.0 2.3 4.9 40 22 A 6 LYS HA A 6 LYS H 1.0 1.4 3.0 41 23 A 6 LYS HBx A 6 LYS HGy 1.0 1.2 2.6 42 23 A 6 LYS HBy A 6 LYS HGy 1.0 1.2 2.6 43 23 A 6 LYS HGx A 6 LYS HBy 1.0 1.2 2.6 44 23 A 6 LYS HBx A 6 LYS HGx 1.0 1.2 2.6 45 24 A 6 LYS H A 6 LYS HBy 1.0 1.7 3.5 46 24 A 6 LYS HBx A 6 LYS H 1.0 1.7 3.5 47 25 A 6 LYS H A 6 LYS HGy 1.0 1.6 5.0 48 25 A 6 LYS H A 6 LYS HGx 1.0 1.6 5.0 49 26 A 9 VAL HA A 9 VAL HB 1.0 1.9 3.9 50 27 A 9 VAL HA A 9 VAL HG1% 1.0 1.6 3.2 51 28 A 9 VAL HA A 9 VAL H 1.0 1.6 3.2 52 29 A 9 VAL HB A 9 VAL HG1% 1.0 1.6 3.4 53 30 A 9 VAL HB A 9 VAL HG2% 1.0 2.0 4.2 54 30 A 9 VAL HB A 9 VAL HG1% 1.0 2.0 4.2 55 31 A 9 VAL HB A 9 VAL H 1.0 1.6 5.0 56 32 A 9 VAL H A 9 VAL HG1% 1.0 1.7 5.0 57 33 A 9 VAL H A 10 GLN HA 1.0 1.4 3.0 58 34 A 10 GLN HA A 10 GLN HBx 1.0 1.8 3.8 59 34 A 10 GLN HA A 10 GLN HBy 1.0 1.8 3.8 60 35 A 10 GLN HA A 10 GLN HBx 1.0 1.7 3.7 61 35 A 10 GLN HA A 10 GLN HBy 1.0 1.7 3.7 62 36 A 10 GLN HA A 10 GLN H 1.0 1.7 3.5 63 37 A 10 GLN HBx A 10 GLN H 1.0 1.7 3.7 64 37 A 10 GLN HBy A 10 GLN H 1.0 1.7 3.7 65 38 A 10 GLN HBx A 10 GLN H 1.0 1.4 3.0 66 38 A 10 GLN HBy A 10 GLN H 1.0 1.4 3.0 67 39 A 10 GLN H A 10 GLN HGx 1.0 2.1 4.3 68 39 A 10 GLN H A 10 GLN HGy 1.0 2.1 4.3 69 40 A 9 VAL H A 10 GLN HGx 1.0 1.5 3.5 70 40 A 9 VAL H A 10 GLN HGy 1.0 1.5 3.5 71 41 A 4 TYR HD% A 5 GLU HA 1.0 1.5 3.5 72 42 A 2 ARG HA A 5 GLU H 1.0 0.3 5.0 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 hbond _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 5 GLU H A 1 GLU O 1.0 1.5 2.5 2 2 A 1 GLU O A 5 GLU N 1.0 2.4 3.6 stop_ save_