data_nef_c30789_7ju9 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 7JU9 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 4 ASP C 1 5 DBU N 1 5 DBU C 1 6 CYS N 1 6 CYS SG 1 12 DBB CB 1 11 GLY C 1 12 DBB N 1 12 DBB C 1 13 DAL N 1 13 DAL C 1 14 GLU N 1 13 DAL CB 1 19 CYS SG 1 15 GLN C 1 16 DBB N 1 16 DBB C 1 17 GLY N 1 16 DBB CB 1 20 CYS SG 1 17 GLY C 1 18 DBU N 1 18 DBU C 1 19 CYS N 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 1 GLY start . false 2 A 2 ARG middle . . 3 A 3 ILE middle . . 4 A 4 ASP middle -OXT . 5 A 5 DBU middle -H2,-OXT . 6 A 6 CYS middle -H2,-HG . 7 A 7 PRO middle . false 8 A 8 ALA middle . . 9 A 9 GLY middle . false 10 A 10 GLY middle . false 11 A 11 GLY middle -OXT false 12 A 12 DBB middle -OXT . 13 A 13 DAL middle -H2,-OXT . 14 A 14 GLU middle -H2 . 15 A 15 GLN middle -OXT . 16 A 16 DBB middle -OXT . 17 A 17 GLY middle -H2,-OXT false 18 A 18 DBU middle -H2,-OXT . 19 A 19 CYS middle -HG,-H2 . 20 A 20 CYS end -HG . 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 GLY HAx H 1 3.809 0.000 A 1 GLY HAy H 1 3.809 0.000 A 2 ARG H H 1 8.452 0.002 A 2 ARG HA H 1 4.230 0.011 A 2 ARG HBx H 1 1.611 0.009 A 2 ARG HBy H 1 1.682 0.009 A 2 ARG HDx H 1 3.041 0.004 A 2 ARG HDy H 1 3.041 0.004 A 2 ARG HGx H 1 1.462 0.013 A 2 ARG HGy H 1 1.493 0.006 A 3 ILE H H 1 8.265 0.002 A 3 ILE HA H 1 4.020 0.016 A 3 ILE HB H 1 1.706 0.009 A 3 ILE HD1% H 1 0.753 0.010 A 3 ILE HG1x H 1 1.049 0.009 A 3 ILE HG1y H 1 1.320 0.006 A 3 ILE HG2% H 1 0.715 0.012 A 4 ASP H H 1 8.431 0.001 A 4 ASP HA H 1 4.520 0.004 A 5 DBU H H 1 9.158 0.001 A 5 DBU HB H 1 6.722 0.008 A 5 DBU HG% H 1 1.605 0.002 A 6 CYS H H 1 7.925 0.001 A 6 CYS HA H 1 4.681 0.003 A 6 CYS HBx H 1 2.653 0.081 A 6 CYS HBy H 1 2.885 0.004 A 7 PRO HA H 1 4.230 0.008 A 7 PRO HBx H 1 1.828 0.010 A 7 PRO HBy H 1 2.155 0.007 A 7 PRO HDx H 1 3.537 0.008 A 7 PRO HDy H 1 3.595 0.002 A 8 ALA H H 1 8.231 0.001 A 8 ALA HA H 1 4.112 0.008 A 8 ALA HB% H 1 1.262 0.005 A 9 GLY H H 1 8.123 0.002 A 9 GLY HAx H 1 3.727 0.005 A 9 GLY HAy H 1 4.045 0.006 A 10 GLY H H 1 8.217 0.006 A 10 GLY HAx H 1 3.789 0.009 A 10 GLY HAy H 1 3.963 0.013 A 11 GLY H H 1 8.424 0.005 A 11 GLY HAx H 1 3.723 0.062 A 11 GLY HAy H 1 3.823 0.006 A 12 DBB x H 1 7.740 0.007 A 12 DBB HA H 1 4.400 0.007 A 13 DAL H H 1 8.395 0.001 A 13 DAL HA H 1 4.365 0.002 A 13 DAL HB1 H 1 2.872 0.008 A 13 DAL HB2 H 1 2.810 0.006 A 13 DAL HB3 H 1 2.872 0.008 A 14 GLU H H 1 8.051 0.001 A 14 GLU HA H 1 4.191 0.007 A 14 GLU HBx H 1 1.789 0.001 A 14 GLU HBy H 1 2.033 0.005 A 14 GLU HGx H 1 2.218 0.005 A 14 GLU HGy H 1 2.218 0.005 A 15 GLN H H 1 8.392 0.002 A 15 GLN HA H 1 4.131 0.008 A 15 GLN HBx H 1 1.855 0.003 A 15 GLN HBy H 1 1.992 0.002 A 15 GLN HGx H 1 2.244 0.007 A 15 GLN HGy H 1 2.244 0.007 A 16 DBB x H 1 6.970 0.001 A 16 DBB HA H 1 4.726 0.008 A 17 GLY H H 1 8.370 0.003 A 17 GLY HAx H 1 3.785 0.013 A 17 GLY HAy H 1 4.389 0.011 A 18 DBU H H 1 9.769 0.001 A 18 DBU HB H 1 6.508 0.000 A 18 DBU HG% H 1 1.661 0.007 A 19 CYS H H 1 7.594 0.001 A 19 CYS HA H 1 4.537 0.004 A 19 CYS HBx H 1 2.541 0.021 A 19 CYS HBy H 1 3.242 0.007 A 20 CYS HA H 1 3.979 0.008 A 20 CYS HBx H 1 2.836 0.009 A 20 CYS HBy H 1 3.362 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 13 DAL HB1 A 19 CYS HBy 1.0 1.8 4.5 2 2 A 2 ARG HA A 2 ARG H 1.0 1.8 5.5 3 3 A 3 ILE HA A 3 ILE H 1.0 1.8 5.5 4 4 A 3 ILE HA A 9 GLY H 1.0 1.8 5.5 5 5 A 3 ILE HB A 4 ASP H 1.0 1.8 5.5 6 6 A 3 ILE H A 3 ILE HG1x 1.0 1.8 5.5 7 7 A 3 ILE H A 3 ILE HG2% 1.0 1.8 5.5 8 8 A 4 ASP H A 4 ASP HBy 1.0 1.8 5.5 9 9 A 4 ASP H A 4 ASP HBx 1.0 1.8 5.5 10 10 A 6 CYS HBy A 9 GLY H 1.0 1.8 5.5 11 11 A 7 PRO HBy A 8 ALA H 1.0 1.8 5.5 12 12 A 8 ALA H A 7 PRO HBx 1.0 1.8 5.5 13 13 A 8 ALA H A 8 ALA HA 1.0 1.8 5.5 14 14 A 9 GLY H A 8 ALA HB% 1.0 1.8 4.5 15 15 A 9 GLY HAx A 10 GLY H 1.0 1.8 5.5 16 16 A 10 GLY HAy A 11 GLY H 1.0 1.8 5.5 17 17 A 10 GLY H A 11 GLY H 1.0 1.8 5.5 18 18 A 13 DAL HB1 A 14 GLU H 1.0 1.8 5.5 19 19 A 13 DAL HB1 A 19 CYS H 1.0 1.8 5.5 20 20 A 13 DAL HB1 A 14 GLU H 1.0 1.8 5.5 21 21 A 20 CYS HBx A 17 GLY H 1.0 1.8 5.5 22 22 A 13 DAL HB1 A 19 CYS H 1.0 1.8 5.5 23 23 A 14 GLU H A 14 GLU HA 1.0 1.8 5.5 24 24 A 14 GLU H A 14 GLU HBx 1.0 1.8 5.5 25 25 A 15 GLN HA A 15 GLN HGx 1.0 1.8 5.5 26 25 A 15 GLN HA A 15 GLN HGy 1.0 1.8 5.5 27 26 A 15 GLN H A 15 GLN HGx 1.0 1.8 5.5 28 26 A 15 GLN HGy A 15 GLN H 1.0 1.8 5.5 29 27 A 15 GLN H A 15 GLN HBx 1.0 1.8 5.5 30 28 A 17 GLY H A 17 GLY HAx 1.0 1.8 5.5 31 29 A 19 CYS HBy A 19 CYS H 1.0 1.8 5.5 32 30 A 19 CYS HBy A 20 CYS H 1.0 1.8 5.5 33 31 A 20 CYS H A 20 CYS HA 1.0 1.8 5.5 34 32 A 20 CYS H A 20 CYS HBy 1.0 1.8 5.5 35 33 A 20 CYS HBx A 20 CYS HA 1.0 1.8 5.5 36 34 A 3 ILE H A 3 ILE HD1% 1.0 1.8 3.3 37 35 A 2 ARG HA A 3 ILE H 1.0 1.8 4.5 38 36 A 3 ILE H A 2 ARG HBx 1.0 1.8 4.5 39 37 A 3 ILE HA A 4 ASP H 1.0 1.8 4.5 40 38 A 3 ILE HA A 8 ALA H 1.0 1.8 4.5 41 39 A 3 ILE H A 3 ILE HB 1.0 1.8 4.5 42 40 A 3 ILE H A 4 ASP H 1.0 1.8 4.5 43 41 A 6 CYS HBy A 6 CYS H 1.0 1.8 4.5 44 42 A 6 CYS HBx A 6 CYS H 1.0 1.8 4.5 45 43 A 7 PRO HBx A 7 PRO HA 1.0 1.8 4.5 46 44 A 9 GLY H A 8 ALA HA 1.0 1.8 4.5 47 45 A 8 ALA H A 8 ALA HB% 1.0 1.8 4.5 48 46 A 9 GLY H A 9 GLY HAx 1.0 1.8 4.5 49 47 A 9 GLY H A 8 ALA H 1.0 1.8 4.5 50 48 A 10 GLY H A 10 GLY HAy 1.0 1.8 4.5 51 49 A 10 GLY H A 10 GLY HAx 1.0 1.8 4.5 52 50 A 14 GLU H A 13 DAL HA 1.0 2.8 5.5 53 51 A 14 GLU H A 14 GLU HBy 1.0 1.8 4.5 54 52 A 15 GLN HA A 15 GLN H 1.0 1.8 4.5 55 53 A 15 GLN H A 15 GLN HBy 1.0 1.8 4.5 56 54 A 15 GLN H A 15 GLN HBx 1.0 1.8 4.5 57 55 A 17 GLY H A 17 GLY HAy 1.0 1.8 4.5 58 56 A 19 CYS H A 19 CYS HBx 1.0 1.8 4.5 59 57 A 19 CYS H A 20 CYS H 1.0 1.8 4.5 60 58 A 2 ARG HA A 2 ARG HDx 1.0 1.8 5.5 61 58 A 2 ARG HA A 2 ARG HDy 1.0 1.8 5.5 62 59 A 3 ILE HD1% A 2 ARG HBx 1.0 1.8 5.5 63 60 A 11 GLY HAy A 15 GLN HBx 1.0 1.8 5.5 64 61 A 15 GLN HBy A 9 GLY HAy 1.0 1.8 5.5 65 62 A 11 GLY HAy A 15 GLN HBx 1.0 1.8 6.0 66 63 A 13 DAL HB1 A 19 CYS HBx 1.0 1.8 5.5 67 64 A 3 ILE HB A 3 ILE HD1% 1.0 1.8 3.3 68 65 A 3 ILE HG1x A 3 ILE HD1% 1.0 1.8 3.3 69 66 A 13 DAL HB1 A 19 CYS HBx 1.0 1.8 3.3 70 67 A 2 ARG HBy A 2 ARG HDx 1.0 1.8 4.5 71 67 A 2 ARG HDy A 2 ARG HBy 1.0 1.8 4.5 72 68 A 3 ILE HA A 2 ARG HBy 1.0 1.8 4.5 73 69 A 2 ARG HBx A 2 ARG HDx 1.0 1.8 4.5 74 69 A 2 ARG HBx A 2 ARG HDy 1.0 1.8 4.5 75 70 A 2 ARG HA A 2 ARG HGy 1.0 1.8 4.5 76 71 A 2 ARG HA A 2 ARG HGx 1.0 1.8 4.5 77 72 A 3 ILE HA A 3 ILE HD1% 1.0 1.8 4.5 78 73 A 3 ILE HD1% A 3 ILE HG1y 1.0 1.8 4.5 79 74 A 3 ILE HA A 3 ILE HG1y 1.0 1.8 4.5 80 75 A 3 ILE HA A 3 ILE HG1x 1.0 1.8 4.5 81 76 A 3 ILE HA A 3 ILE HG2% 1.0 1.8 4.5 82 77 A 3 ILE HB A 3 ILE HG2% 1.0 1.8 4.5 83 78 A 3 ILE HG2% A 3 ILE HG1y 1.0 1.8 4.5 84 79 A 3 ILE HG1x A 3 ILE HG2% 1.0 1.8 4.5 85 80 A 6 CYS HBy A 17 GLY HAy 1.0 1.8 4.5 86 81 A 6 CYS HBx A 17 GLY HAy 1.0 1.8 4.5 87 82 A 7 PRO HBx A 7 PRO HGx 1.0 1.8 4.5 88 82 A 7 PRO HBx A 7 PRO HGy 1.0 1.8 4.5 89 83 A 7 PRO HDy A 7 PRO HGx 1.0 1.8 4.5 90 83 A 7 PRO HGy A 7 PRO HDy 1.0 1.8 4.5 91 84 A 13 DAL HB1 A 19 CYS HBy 1.0 1.8 4.5 92 85 A 13 DAL HB1 A 19 CYS HBy 1.0 1.8 4.5 93 86 A 14 GLU HA A 14 GLU HGx 1.0 1.8 4.5 94 86 A 14 GLU HA A 14 GLU HGy 1.0 1.8 4.5 95 87 A 15 GLN HA A 15 GLN HGx 1.0 1.8 4.5 96 87 A 15 GLN HA A 15 GLN HGy 1.0 1.8 4.5 97 88 A 19 CYS HBy A 13 DAL HA 1.0 1.8 4.5 98 89 A 13 DAL HA A 19 CYS HBx 1.0 1.8 5.5 99 90 A 13 DAL HB1 A 19 CYS HBx 1.0 1.8 5.0 stop_ save_