data_c30168_5t6v_nmr-data-str 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 30167 PDB 5T6V 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 SER start . . 2 A 2 THR middle . . 3 A 3 CYS middle . . 4 A 4 CYS middle . . 5 A 5 GLY middle . false 6 A 6 TYR middle . . 7 A 7 ARG middle . . 8 A 8 MET middle . . 9 A 9 CYS middle . . 10 A 10 VAL middle . . 11 A 11 PRO middle . true 12 A 12 CYS middle . . 13 A 13 NH2 end . . stop_ 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 A 3 CYS SG A 9 CYS SG A 4 CYS SG A 12 CYS SG 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 SER HA H 1 4.589 0.013 A 1 SER HBx H 1 3.854 0.001 A 1 SER HBy H 1 3.854 0.001 A 2 THR HA H 1 4.149 0.029 A 2 THR HB H 1 3.913 0.039 A 2 THR HG21 H 1 1.292 0.024 A 2 THR HG22 H 1 1.292 0.024 A 2 THR HG23 H 1 1.292 0.024 A 3 CYS H H 1 8.578 0.004 A 3 CYS HA H 1 4.821 0.011 A 3 CYS HB2 H 1 3.211 0.005 A 3 CYS HB3 H 1 2.999 0.017 A 4 CYS H H 1 9.185 0.002 A 4 CYS HA H 1 4.879 0.008 A 4 CYS HB2 H 1 3.197 0.008 A 4 CYS HB3 H 1 2.872 0.003 A 5 GLY H H 1 8.229 0.003 A 5 GLY HA2 H 1 4.441 0.010 A 5 GLY HA3 H 1 3.641 0.009 A 6 TYR H H 1 8.392 0.025 A 6 TYR HA H 1 4.651 0.001 A 6 TYR HBx H 1 2.966 0.003 A 6 TYR HBy H 1 2.966 0.003 A 6 TYR HDx H 1 7.133 0.006 A 6 TYR HDy H 1 7.133 0.006 A 6 TYR HEx H 1 6.807 0.023 A 6 TYR HEy H 1 6.807 0.023 A 7 ARG H H 1 8.604 0.009 A 7 ARG HA H 1 4.663 0.003 A 7 ARG HBx H 1 1.792 0.005 A 7 ARG HBy H 1 1.792 0.005 A 7 ARG HDx H 1 3.833 0.000 A 7 ARG HDy H 1 3.833 0.000 A 7 ARG HGx H 1 1.662 0.002 A 7 ARG HGy H 1 1.662 0.002 A 7 ARG HH1x H 1 7.767 0.060 A 7 ARG HH1y H 1 7.767 0.060 A 7 ARG HH2x H 1 7.248 0.001 A 7 ARG HH2y H 1 7.248 0.001 A 8 MET H H 1 7.628 0.002 A 8 MET HA H 1 4.432 0.004 A 8 MET HBx H 1 1.904 0.013 A 8 MET HBy H 1 1.904 0.013 A 8 MET HE1 H 1 2.074 0.009 A 8 MET HE2 H 1 2.074 0.009 A 8 MET HE3 H 1 2.074 0.009 A 8 MET HGx H 1 2.389 0.005 A 8 MET HGy H 1 2.389 0.005 A 9 CYS H H 1 8.671 0.012 A 9 CYS HA H 1 4.738 0.007 A 9 CYS HB2 H 1 3.367 0.003 A 9 CYS HB3 H 1 2.833 0.018 A 10 VAL H H 1 8.604 0.006 A 10 VAL HA H 1 4.668 0.010 A 10 VAL HB H 1 2.099 0.011 A 10 VAL HGx% H 1 0.929 0.006 A 10 VAL HGy% H 1 0.789 0.006 A 11 PRO HA H 1 4.503 0.000 A 11 PRO HB2 H 1 2.326 0.006 A 11 PRO HB3 H 1 1.833 0.012 A 11 PRO HD2 H 1 3.858 0.007 A 11 PRO HD3 H 1 3.622 0.005 A 11 PRO HG2 H 1 2.109 0.008 A 11 PRO HG3 H 1 1.957 0.010 A 12 CYS H H 1 8.753 0.082 A 12 CYS HA H 1 4.499 0.009 A 12 CYS HB2 H 1 3.170 0.010 A 12 CYS HB3 H 1 2.881 0.004 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 THR HB A 2 THR HA 1.0 0.0 4.5 2 2 A 3 CYS HA A 10 VAL HGx% 1.0 0.0 6.5 3 3 A 3 CYS HA A 10 VAL HGy% 1.0 0.0 7.5 4 4 A 3 CYS HA A 2 THR HG1 1.0 0.0 5.5 5 5 A 3 CYS HB3 A 3 CYS H 1.0 0.0 4.5 6 6 A 3 CYS HB2 A 4 CYS H 1.0 0.0 4.5 7 7 A 3 CYS HB2 A 4 CYS HA 1.0 0.0 4.5 8 8 A 6 TYR H A 2 THR HG1 1.0 0.0 4.5 9 8 A 2 THR HG1 A 6 TYR H 1.0 0.0 4.5 10 9 A 6 TYR HDx A 6 TYR HBx 1.0 0.0 6.9 11 9 A 6 TYR HBy A 6 TYR HDx 1.0 0.0 6.9 12 10 A 6 TYR H A 6 TYR HBx 1.0 0.0 4.5 13 10 A 6 TYR H A 6 TYR HBy 1.0 0.0 4.5 14 11 A 6 TYR HDx A 6 TYR HEx 1.0 0.0 8.3 15 12 A 7 ARG HBy A 7 ARG HDx 1.0 0.0 5.5 16 12 A 7 ARG HDy A 7 ARG HBx 1.0 0.0 5.5 17 12 A 7 ARG HDy A 7 ARG HBy 1.0 0.0 5.5 18 12 A 7 ARG HBx A 7 ARG HDx 1.0 0.0 5.5 19 13 A 8 MET H A 8 MET HE1 1.0 0.0 3.7 20 14 A 8 MET HBy A 8 MET HGx 1.0 0.0 5.5 21 14 A 8 MET HBx A 8 MET HGx 1.0 0.0 5.5 22 14 A 8 MET HGy A 8 MET HBx 1.0 0.0 5.5 23 14 A 8 MET HBy A 8 MET HGy 1.0 0.0 5.5 24 15 A 9 CYS H A 8 MET HBx 1.0 0.0 5.5 25 15 A 8 MET HBy A 9 CYS H 1.0 0.0 5.5 26 16 A 9 CYS H A 9 CYS HA 1.0 0.0 4.5 27 17 A 9 CYS HA A 9 CYS HB2 1.0 0.0 3.5 28 18 A 9 CYS HA A 10 VAL H 1.0 0.0 2.7 29 19 A 9 CYS H A 9 CYS HB3 1.0 0.0 3.5 30 20 A 9 CYS HA A 9 CYS HB3 1.0 0.0 3.5 31 21 A 9 CYS HB2 A 9 CYS HB3 1.0 0.0 3.5 32 22 A 9 CYS H A 9 CYS HB2 1.0 0.0 2.7 33 23 A 11 PRO HB3 A 11 PRO HG3 1.0 0.0 3.5 34 24 A 11 PRO HB3 A 11 PRO HG2 1.0 0.0 3.5 35 25 A 11 PRO HB3 A 11 PRO HB2 1.0 0.0 2.7 36 26 A 10 VAL HGx% A 11 PRO HD2 1.0 0.0 6.5 37 27 A 11 PRO HG2 A 11 PRO HD3 1.0 0.0 3.5 38 28 A 11 PRO HG2 A 11 PRO HD2 1.0 0.0 3.5 39 29 A 11 PRO HB3 A 12 CYS HA 1.0 0.0 4.5 40 30 A 11 PRO HB2 A 12 CYS HA 1.0 0.0 4.5 41 31 A 3 CYS H A 3 CYS HB2 1.0 0.0 4.5 42 32 A 3 CYS HA A 3 CYS HB3 1.0 0.0 3.5 43 33 A 3 CYS HB3 A 4 CYS H 1.0 0.0 4.5 44 34 A 4 CYS HA A 4 CYS HB3 1.0 0.0 3.5 45 35 A 4 CYS HA A 4 CYS HB2 1.0 0.0 4.5 46 36 A 5 GLY H A 5 GLY HA3 1.0 0.0 4.5 47 37 A 5 GLY H A 5 GLY HA2 1.0 0.0 3.5 48 38 A 4 CYS HB3 A 5 GLY H 1.0 0.0 3.5 49 39 A 5 GLY HA3 A 5 GLY HA2 1.0 0.0 2.7 50 40 A 6 TYR H A 5 GLY HA3 1.0 0.0 3.5 51 41 A 6 TYR HA A 6 TYR HBx 1.0 0.0 4.5 52 41 A 6 TYR HBy A 6 TYR HA 1.0 0.0 4.5 53 42 A 8 MET H A 8 MET HA 1.0 0.0 4.5 54 43 A 9 CYS H A 9 CYS HB2 1.0 0.0 3.5 55 44 A 10 VAL HGy% A 10 VAL H 1.0 0.0 6.5 56 45 A 10 VAL HGx% A 10 VAL HB 1.0 0.0 5.5 57 46 A 10 VAL HGy% A 10 VAL HB 1.0 0.0 5.5 58 47 A 11 PRO HG3 A 11 PRO HD2 1.0 0.0 3.5 59 48 A 12 CYS HA A 12 CYS HB3 1.0 0.0 3.5 60 49 A 12 CYS HA A 4 CYS HB2 1.0 0.0 3.5 61 50 A 12 CYS HB3 A 12 CYS HB2 1.0 0.0 2.7 62 51 A 12 CYS HA A 12 CYS HB2 1.0 0.0 3.5 63 52 A 10 VAL H A 10 VAL HA 1.0 0.0 3.5 64 53 A 6 TYR H A 7 ARG HA 1.0 0.0 3.5 65 54 A 6 TYR HDx A 6 TYR HA 1.0 0.0 5.5 stop_ save_