data_nef_c30631_6pqg 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 6PQG 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 3 GLY C 1 4 DBB N 1 4 DBB C 1 5 GLY N 1 10 LYS C 1 11 DBB N 1 11 DBB C 1 12 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 ALA start . . 2 A 2 CYS middle . . 3 A 3 GLY middle -OXT false 4 A 4 DBB middle -OXT . 5 A 5 GLY middle -H2 false 6 A 6 ASP middle . . 7 A 7 GLY middle . false 8 A 8 CYS middle . . 9 A 9 ALA middle . . 10 A 10 LYS middle -OXT . 11 A 11 DBB middle -OXT . 12 A 12 CYS middle -H2 . 13 A 13 ALA middle . . 14 A 14 ALA middle . . 15 A 15 SER middle . . 16 A 16 CYS middle . . 17 A 17 ALA middle . . 18 A 18 ALA middle . . 19 A 19 SER 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 ALA HA H 1 4.1936 0.0000 A 1 ALA HB% H 1 1.5355 0.0000 A 2 CYS H H 1 8.6741 0.0000 A 2 CYS HA H 1 4.8670 0.0000 A 2 CYS HBy H 1 3.3420 0.0000 A 2 CYS HBx H 1 3.1232 0.0000 A 3 GLY H H 1 8.9230 0.0000 A 3 GLY HAy H 1 4.0829 0.0000 A 3 GLY HAx H 1 3.8788 0.0000 A 4 DBB H H 1 7.4532 0.0000 A 4 DBB HA H 1 4.5864 0.0000 A 4 DBB HB2 H 1 3.6523 0.0000 A 4 DBB HG% H 1 1.2134 0.0000 A 5 GLY H H 1 8.8056 0.0000 A 5 GLY HAy H 1 4.1377 0.0000 A 5 GLY HAx H 1 3.9034 0.0000 A 6 ASP H H 1 8.6820 0.0000 A 6 ASP HA H 1 4.4028 0.0000 A 6 ASP HBx H 1 2.5856 0.0000 A 6 ASP HBy H 1 2.5856 0.0000 A 7 GLY H H 1 9.0130 0.0000 A 7 GLY HAy H 1 3.9226 0.0000 A 7 GLY HAx H 1 3.7780 0.0000 A 8 CYS H H 1 7.5646 0.0000 A 8 CYS HA H 1 4.1586 0.0000 A 8 CYS HBy H 1 2.9380 0.0000 A 8 CYS HBx H 1 2.8644 0.0000 A 9 ALA H H 1 8.5280 0.0000 A 9 ALA HA H 1 4.4863 0.0000 A 9 ALA HB% H 1 1.3035 0.0000 A 10 LYS H H 1 8.4636 0.0000 A 10 LYS HA H 1 4.4352 0.0000 A 10 LYS HBy H 1 1.8004 0.0000 A 10 LYS HBx H 1 1.7971 0.0000 A 10 LYS HDy H 1 1.6996 0.0000 A 10 LYS HDx H 1 1.6963 0.0000 A 10 LYS HEx H 1 2.9982 0.0000 A 10 LYS HEy H 1 2.9982 0.0000 A 10 LYS HGy H 1 1.5426 0.0000 A 10 LYS HGx H 1 1.4718 0.0000 A 11 DBB H H 1 8.5091 0.0000 A 11 DBB HA H 1 4.9809 0.0000 A 11 DBB HB2 H 1 3.5599 0.0000 A 11 DBB HG% H 1 1.2692 0.0000 A 12 CYS H H 1 9.8346 0.0000 A 12 CYS HA H 1 4.0275 0.0000 A 12 CYS HBy H 1 3.1191 0.0000 A 12 CYS HBx H 1 2.8700 0.0000 A 13 ALA H H 1 8.5938 0.0000 A 13 ALA HA H 1 4.3677 0.0000 A 13 ALA HB% H 1 1.4013 0.0000 A 14 ALA H H 1 8.0421 0.0000 A 14 ALA HA H 1 4.5793 0.0000 A 14 ALA HB1 H 1 2.9825 0.0000 A 14 ALA HB2 H 1 3.1399 0.0000 A 14 ALA HB3 H 1 3.1399 0.0000 A 15 SER H H 1 8.6259 0.0000 A 15 SER HA H 1 4.6219 0.0000 A 15 SER HBy H 1 4.0895 0.0000 A 15 SER HBx H 1 3.9997 0.0000 A 16 CYS H H 1 8.0817 0.0000 A 16 CYS HA H 1 4.3902 0.0000 A 16 CYS HBy H 1 3.7189 0.0000 A 16 CYS HBx H 1 2.2550 0.0000 A 17 ALA H H 1 8.8122 0.0000 A 17 ALA HA H 1 4.0744 0.0000 A 17 ALA HB% H 1 1.4380 0.0000 A 18 ALA H H 1 7.8915 0.0000 A 18 ALA HA H 1 4.6828 0.0000 A 18 ALA HB1 H 1 3.1917 0.0000 A 18 ALA HB2 H 1 3.0720 0.0000 A 18 ALA HB3 H 1 3.0720 0.0000 A 19 SER H H 1 8.1444 0.0000 A 19 SER HA H 1 4.2703 0.0000 A 19 SER HBy H 1 3.8447 0.0000 A 19 SER HBx H 1 3.8446 0.0000 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-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 18 ALA HA A 12 CYS HBx 1.0 . 4.47 2 2 A 10 LYS HA A 10 LYS HDy 1.0 . 5.50 3 3 A 10 LYS HA A 10 LYS HDx 1.0 . 5.50 4 4 A 10 LYS HA A 15 SER HBy 1.0 . 5.50 5 4 A 10 LYS HA A 15 SER HBx 1.0 . 5.50 6 5 A 18 ALA HA A 12 CYS HBy 1.0 . 4.47 7 6 A 12 CYS HA A 18 ALA HB1 1.0 . 5.47 8 7 A 12 CYS HA A 16 CYS HBx 1.0 . 4.28 9 8 A 14 ALA HB1 A 9 ALA HB% 1.0 . 5.47 10 9 A 14 ALA HB1 A 9 ALA HB% 1.0 . 5.50 11 10 A 14 ALA HB1 A 9 ALA HB% 1.0 . 5.50 12 11 A 14 ALA HB1 A 9 ALA HB% 1.0 . 5.42 13 12 A 14 ALA HB1 A 9 ALA HB% 1.0 . 5.50 14 13 A 14 ALA HB1 A 9 ALA HB% 1.0 . 5.50 15 14 A 12 CYS HA A 16 CYS HBy 1.0 . 3.80 16 15 A 10 LYS HA A 14 ALA HB1 1.0 . 4.62 17 16 A 12 CYS HA A 18 ALA HB1 1.0 . 5.50 18 17 A 18 ALA HA A 12 CYS HA 1.0 . 5.50 19 18 A 9 ALA HB% A 13 ALA HB% 1.0 . 4.02 20 19 A 14 ALA HB1 A 14 ALA H 1.0 . 4.11 21 20 A 18 ALA H A 17 ALA HB% 1.0 . 3.32 22 21 A 16 CYS HBy A 18 ALA H 1.0 . 4.18 23 22 A 18 ALA HB1 A 18 ALA H 1.0 . 4.08 24 23 A 18 ALA HB1 A 18 ALA H 1.0 . 4.00 25 24 A 16 CYS HBx A 18 ALA H 1.0 . 3.53 26 25 A 12 CYS HA A 14 ALA H 1.0 . 3.93 27 26 A 16 CYS HBx A 16 CYS H 1.0 . 3.72 28 27 A 18 ALA HB1 A 19 SER H 1.0 . 3.70 29 28 A 18 ALA HB1 A 19 SER H 1.0 . 3.91 30 29 A 16 CYS HBy A 14 ALA H 1.0 . 5.50 31 30 A 16 CYS HBy A 16 CYS H 1.0 . 3.10 32 31 A 14 ALA HB1 A 16 CYS H 1.0 . 5.33 33 32 A 14 ALA HB1 A 16 CYS H 1.0 . 5.50 34 33 A 14 ALA HB1 A 10 LYS H 1.0 . 5.50 35 34 A 14 ALA HB1 A 9 ALA H 1.0 . 3.47 36 35 A 14 ALA HB1 A 15 SER H 1.0 . 3.98 37 36 A 14 ALA HB1 A 9 ALA H 1.0 . 3.67 38 37 A 7 GLY H A 6 ASP HBx 1.0 . 5.24 39 38 A 7 GLY H A 6 ASP HBy 1.0 . 5.24 40 39 A 3 GLY H A 2 CYS HBx 1.0 . 5.45 41 40 A 3 GLY H A 2 CYS HBy 1.0 . 5.45 42 41 A 14 ALA HB1 A 15 SER H 1.0 . 4.19 43 42 A 16 CYS HBx A 17 ALA H 1.0 . 3.88 44 43 A 9 ALA H A 8 CYS HA 1.0 . 2.73 45 44 A 10 LYS H A 9 ALA HA 1.0 . 2.95 46 45 A 10 LYS HDy A 10 LYS H 1.0 . 5.50 47 46 A 10 LYS HDx A 10 LYS H 1.0 . 5.50 48 47 A 17 ALA H A 17 ALA HB% 1.0 . 3.33 49 48 A 9 ALA HB% A 9 ALA H 1.0 . 4.12 50 49 A 9 ALA HB% A 10 LYS H 1.0 . 4.16 51 50 A 9 ALA HB% A 10 LYS H 1.0 . 4.78 52 51 A 9 ALA HB% A 10 LYS H 1.0 . 4.58 53 52 A 10 LYS H A 10 LYS HGx 1.0 . 3.54 54 53 A 10 LYS H A 10 LYS HGy 1.0 . 3.54 55 54 A 19 SER H A 17 ALA HB% 1.0 . 4.38 56 55 A 7 GLY H A 8 CYS H 1.0 . 3.68 57 56 A 8 CYS H A 6 ASP H 1.0 . 5.50 58 57 A 18 ALA H A 17 ALA H 1.0 . 3.97 59 58 A 18 ALA H A 19 SER H 1.0 . 4.04 60 59 A 16 CYS H A 15 SER H 1.0 . 3.86 61 60 A 14 ALA H A 13 ALA H 1.0 . 3.24 62 61 A 9 ALA H A 8 CYS H 1.0 . 4.87 63 62 A 8 CYS H A 6 ASP HA 1.0 . 4.23 64 63 A 7 GLY H A 6 ASP HA 1.0 . 3.21 65 64 A 16 CYS HBy A 17 ALA H 1.0 . 4.26 66 65 A 17 ALA H A 16 CYS HA 1.0 . 3.16 67 66 A 12 CYS HA A 16 CYS H 1.0 . 4.48 68 67 A 5 GLY H A 8 CYS HBx 1.0 . 4.72 69 67 A 5 GLY H A 8 CYS HBy 1.0 . 4.72 70 68 A 6 ASP H A 5 GLY HAy 1.0 . 2.94 71 68 A 6 ASP H A 5 GLY HAx 1.0 . 2.94 72 69 A 7 GLY H A 6 ASP HBy 1.0 . 4.47 73 69 A 7 GLY H A 6 ASP HBx 1.0 . 4.47 74 70 A 9 ALA H A 8 CYS HBx 1.0 . 4.22 75 70 A 9 ALA H A 8 CYS HBy 1.0 . 4.22 76 71 A 10 LYS HA A 10 LYS HGx 1.0 . 3.74 77 71 A 10 LYS HA A 10 LYS HGy 1.0 . 3.74 78 72 A 18 ALA H A 12 CYS HBx 1.0 . 4.80 79 72 A 18 ALA H A 12 CYS HBy 1.0 . 4.80 80 73 A 18 ALA HA A 12 CYS HBx 1.0 . 3.60 81 73 A 18 ALA HA A 12 CYS HBy 1.0 . 3.60 82 74 A 19 SER H A 12 CYS HBx 1.0 . 5.30 83 74 A 19 SER H A 12 CYS HBy 1.0 . 5.30 stop_ save_