data_c30167_5t6t_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 30168 PDB 5T6T 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 4.198 0.003 A 1 SER HBx H 1 3.999 0.002 A 1 SER HBy H 1 3.999 0.002 A 2 THR HA H 1 4.408 0.002 A 2 THR HB H 1 4.175 0.004 A 2 THR HG21 H 1 1.218 0.023 A 2 THR HG22 H 1 1.218 0.023 A 2 THR HG23 H 1 1.218 0.023 A 3 CYS H H 1 8.686 0.003 A 3 CYS HA H 1 4.915 0.003 A 3 CYS HB2 H 1 3.234 0.005 A 3 CYS HB3 H 1 2.876 0.011 A 4 CYS H H 1 9.183 0.001 A 4 CYS HA H 1 4.915 0.025 A 4 CYS HB2 H 1 3.234 0.013 A 4 CYS HB3 H 1 2.876 0.002 A 5 GLY H H 1 8.305 0.003 A 5 GLY HA2 H 1 4.487 0.009 A 5 GLY HA3 H 1 3.639 0.003 A 6 TYR H H 1 8.478 0.002 A 6 TYR HA H 1 4.670 0.003 A 6 TYR HBx H 1 2.980 0.003 A 6 TYR HBy H 1 2.980 0.003 A 6 TYR HDx H 1 7.150 0.008 A 6 TYR HDy H 1 7.150 0.008 A 6 TYR HEx H 1 6.839 0.009 A 6 TYR HEy H 1 6.839 0.009 A 7 ARG H H 1 8.700 0.011 A 7 ARG HA H 1 4.729 0.000 A 7 ARG HBx H 1 1.809 0.005 A 7 ARG HBy H 1 1.809 0.006 A 7 ARG HGx H 1 1.665 0.012 A 7 ARG HGy H 1 1.665 0.012 A 7 ARG HDx H 1 3.831 0.006 A 7 ARG HDy H 1 3.831 0.006 A 7 ARG HH1x H 1 7.792 0.003 A 7 ARG HH1y H 1 7.792 0.003 A 7 ARG HH2x H 1 7.322 0.000 A 7 ARG HH2y H 1 7.649 0.023 A 8 MET H H 1 4.453 0.003 A 8 MET HA H 1 1.896 0.025 A 8 MET HBx H 1 1.896 0.025 A 8 MET HBy H 1 2.386 0.017 A 8 MET HGy H 1 2.386 0.017 A 8 MET HGx H 1 2.103 0.014 A 8 MET HE1 H 1 2.103 0.014 A 8 MET HE2 H 1 2.103 0.014 A 8 MET HE3 H 1 8.743 0.006 A 9 CYS H H 1 4.791 0.014 A 9 CYS HA H 1 3.397 0.004 A 9 CYS HB2 H 1 2.837 0.005 A 9 CYS HB3 H 1 8.734 0.007 A 10 VAL H H 1 4.728 0.003 A 10 VAL HA H 1 2.155 0.009 A 10 VAL HB H 1 0.947 0.014 A 10 VAL HG11 H 1 0.947 0.014 A 10 VAL HG12 H 1 0.947 0.014 A 10 VAL HG13 H 1 0.794 0.004 A 10 VAL HG21 H 1 0.794 0.004 A 10 VAL HG22 H 1 0.794 0.004 A 10 VAL HG23 H 1 4.526 0.000 A 11 PRO HA H 1 2.137 0.001 A 11 PRO HBx H 1 1.847 0.010 A 11 PRO HBy H 1 1.983 0.003 A 11 PRO HGx H 1 1.983 0.003 A 11 PRO HGy H 1 3.883 0.006 A 11 PRO HD2 H 1 3.633 0.002 A 11 PRO HD3 H 1 8.865 0.001 A 12 CYS H H 1 4.509 0.012 A 12 CYS HA H 1 3.190 0.007 A 12 CYS HB2 H 1 2.883 0.007 A 12 CYS HB3 H 1 4.198 0.003 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 SER HA A 1 SER HBx 1.0 0.0 6.5 2 1 A 1 SER HBy A 1 SER HA 1.0 0.0 6.5 3 2 A 2 THR HA A 3 CYS H 1.0 0.0 5.5 4 3 A 2 THR HA A 2 THR HB 1.0 0.0 4.5 5 4 A 3 CYS HB2 A 2 THR HG1 1.0 0.0 6.5 6 4 A 2 THR HG1 A 3 CYS HB2 1.0 0.0 6.5 7 5 A 3 CYS H A 3 CYS HB2 1.0 0.0 5.5 8 6 A 3 CYS H A 7 ARG HDx 1.0 0.0 6.5 9 6 A 3 CYS H A 7 ARG HDy 1.0 0.0 6.5 10 7 A 3 CYS HB2 A 3 CYS HA 1.0 0.0 4.5 11 8 A 3 CYS HA A 4 CYS H 1.0 0.0 4.5 12 9 A 3 CYS HA A 9 CYS HB2 1.0 0.0 5.5 13 10 A 4 CYS H A 4 CYS HB2 1.0 0.0 4.5 14 11 A 4 CYS HA A 5 GLY H 1.0 0.0 4.5 15 12 A 5 GLY H A 4 CYS HB3 1.0 0.0 4.5 16 13 A 4 CYS H A 4 CYS HB2 1.0 0.0 5.5 17 14 A 5 GLY H A 5 GLY HA3 1.0 0.0 5.5 18 15 A 5 GLY H A 5 GLY HA2 1.0 0.0 5.5 19 16 A 5 GLY HA3 A 6 TYR H 1.0 0.0 5.5 20 17 A 5 GLY HA3 A 7 ARG HH1x 1.0 0.0 5.5 21 18 A 5 GLY HA2 A 6 TYR H 1.0 0.0 4.5 22 19 A 5 GLY HA3 A 5 GLY HA2 1.0 0.0 4.5 23 20 A 6 TYR H A 6 TYR HBx 1.0 0.0 5.5 24 20 A 6 TYR H A 6 TYR HBy 1.0 0.0 5.5 25 21 A 6 TYR H A 6 TYR HA 1.0 0.0 5.5 26 22 A 6 TYR HA A 6 TYR HDx 1.0 0.0 7.5 27 23 A 6 TYR HA A 7 ARG H 1.0 0.0 4.5 28 24 A 6 TYR HA A 6 TYR HBx 1.0 0.0 5.5 29 24 A 6 TYR HBy A 6 TYR HA 1.0 0.0 5.5 30 25 A 6 TYR HDx A 6 TYR HBx 1.0 0.0 6.9 31 25 A 6 TYR HBy A 6 TYR HDx 1.0 0.0 6.9 32 26 A 6 TYR HDx A 6 TYR HEx 1.0 0.0 5.9 33 27 A 7 ARG HBx A 7 ARG HDx 1.0 0.0 7.5 34 27 A 7 ARG HBy A 7 ARG HDx 1.0 0.0 7.5 35 27 A 7 ARG HDy A 7 ARG HBx 1.0 0.0 7.5 36 27 A 7 ARG HDy A 7 ARG HBy 1.0 0.0 7.5 37 28 A 7 ARG HBx A 7 ARG HGx 1.0 0.0 5.5 38 28 A 7 ARG HBy A 7 ARG HGx 1.0 0.0 5.5 39 28 A 7 ARG HGy A 7 ARG HBx 1.0 0.0 5.5 40 28 A 7 ARG HBy A 7 ARG HGy 1.0 0.0 5.5 41 29 A 2 THR HG1 A 7 ARG HGx 1.0 0.0 6.5 42 29 A 7 ARG HGy A 2 THR HG1 1.0 0.0 6.5 43 29 A 2 THR HG1 A 7 ARG HGy 1.0 0.0 6.5 44 30 A 7 ARG H A 7 ARG HDx 1.0 0.0 6.5 45 30 A 7 ARG HDy A 7 ARG H 1.0 0.0 6.5 46 31 A 8 MET H A 7 ARG HDx 1.0 0.0 6.5 47 31 A 7 ARG HDy A 8 MET H 1.0 0.0 6.5 48 32 A 7 ARG HH1x A 8 MET HE1 1.0 0.0 6.5 49 33 A 7 ARG HH1x A 7 ARG HH2x 1.0 0.0 3.5 50 34 A 5 GLY HA3 A 8 MET H 1.0 0.0 5.5 51 35 A 8 MET HA A 8 MET HBx 1.0 0.0 6.5 52 35 A 8 MET HA A 8 MET HBy 1.0 0.0 6.5 53 36 A 8 MET HE1 A 8 MET HA 1.0 0.0 6.5 54 37 A 8 MET HA A 9 CYS H 1.0 0.0 4.5 55 38 A 9 CYS H A 8 MET HBx 1.0 0.0 5.5 56 38 A 8 MET HBy A 9 CYS H 1.0 0.0 5.5 57 39 A 8 MET HBx A 8 MET HGy 1.0 0.0 5.5 58 39 A 8 MET HBy A 8 MET HGy 1.0 0.0 5.5 59 39 A 8 MET HGx A 8 MET HBx 1.0 0.0 5.5 60 39 A 8 MET HBy A 8 MET HGx 1.0 0.0 5.5 61 40 A 4 CYS H A 9 CYS H 1.0 0.0 5.5 62 41 A 8 MET HA A 9 CYS H 1.0 0.0 4.5 63 42 A 9 CYS H A 9 CYS HB3 1.0 0.0 5.5 64 43 A 9 CYS HB3 A 9 CYS HA 1.0 0.0 4.5 65 44 A 9 CYS HA A 10 VAL H 1.0 0.0 5.5 66 45 A 9 CYS H A 9 CYS HB3 1.0 0.0 4.5 67 46 A 9 CYS HB2 A 9 CYS HB3 1.0 0.0 3.5 68 47 A 9 CYS HB2 A 9 CYS H 1.0 0.0 5.5 69 48 A 10 VAL HA A 10 VAL HG11 1.0 0.0 6.5 70 49 A 10 VAL HA A 10 VAL HG21 1.0 0.0 7.5 71 50 A 10 VAL HA A 11 PRO HD3 1.0 0.0 4.5 72 51 A 10 VAL HG11 A 10 VAL HB 1.0 0.0 5.5 73 52 A 10 VAL HG21 A 10 VAL HB 1.0 0.0 7.5 74 53 A 11 PRO HD3 A 11 PRO HBy 1.0 0.0 5.5 75 54 A 11 PRO HBx A 11 PRO HGx 1.0 0.0 4.5 76 54 A 11 PRO HGy A 11 PRO HBx 1.0 0.0 4.5 77 55 A 11 PRO HD3 A 11 PRO HGx 1.0 0.0 6.5 78 55 A 11 PRO HD3 A 11 PRO HGy 1.0 0.0 6.5 79 56 A 11 PRO HD3 A 11 PRO HD2 1.0 0.0 4.5 80 57 A 11 PRO HD3 A 11 PRO HD2 1.0 0.0 3.5 81 58 A 11 PRO HD2 A 11 PRO HGx 1.0 0.0 6.5 82 58 A 11 PRO HGy A 11 PRO HD2 1.0 0.0 6.5 83 59 A 12 CYS H A 12 CYS HB2 1.0 0.0 4.5 84 60 A 12 CYS H A 12 CYS HA 1.0 0.0 4.5 85 61 A 10 VAL HG21 A 12 CYS HA 1.0 0.0 7.5 86 62 A 12 CYS HA A 8 MET HGy 1.0 0.0 5.5 87 62 A 8 MET HGx A 12 CYS HA 1.0 0.0 5.5 88 63 A 12 CYS HB2 A 12 CYS HB3 1.0 0.0 4.5 stop_ save_