data_nef_c30630_6pqf 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 6PQF 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 5 GLY C 1 6 IAS N 1 6 IAS CG 1 7 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,-OXT false 6 A 6 IAS middle -H2,-OD2 . 7 A 7 GLY middle -H2 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 4.3086 0.0000 A 1 ALA HB% H 1 1.5676 0.0000 A 2 CYS HA H 1 4.9774 0.0000 A 2 CYS HBy H 1 3.5808 0.0000 A 2 CYS HBx H 1 3.0985 0.0000 A 3 GLY H H 1 8.7561 0.0000 A 3 GLY HAx H 1 3.9509 0.0000 A 3 GLY HAy H 1 3.9514 0.0000 A 4 DBB H H 1 7.4919 0.0000 A 4 DBB HA H 1 4.6570 0.0000 A 4 DBB HB2 H 1 3.7598 0.0000 A 4 DBB HG% H 1 1.2893 0.0000 A 5 GLY H H 1 8.8116 0.0000 A 5 GLY HAx H 1 3.8438 0.0000 A 5 GLY HAy H 1 4.2364 0.0000 A 6 IAS H H 1 7.6818 0.0000 A 6 IAS HA H 1 4.5283 0.0000 A 6 IAS HBy H 1 2.7581 0.0000 A 6 IAS HBx H 1 2.7569 0.0000 A 7 GLY H H 1 8.2711 0.0000 A 7 GLY HAy H 1 3.9394 0.0000 A 7 GLY HAx H 1 3.6890 0.0000 A 8 CYS H H 1 7.9433 0.0000 A 8 CYS HA H 1 4.2874 0.0000 A 8 CYS HBy H 1 2.9579 0.0000 A 8 CYS HBx H 1 2.8816 0.0000 A 9 ALA H H 1 8.6281 0.0000 A 9 ALA HA H 1 4.2648 0.0000 A 9 ALA HB% H 1 1.3178 0.0000 A 10 LYS H H 1 8.5834 0.0000 A 10 LYS HA H 1 4.5894 0.0000 A 10 LYS HBx H 1 1.8216 0.0000 A 10 LYS HBy H 1 1.8216 0.0000 A 10 LYS HDy H 1 1.6936 0.0000 A 10 LYS HDx H 1 1.6906 0.0000 A 10 LYS HEx H 1 3.0198 0.0000 A 10 LYS HEy H 1 3.0205 0.0000 A 10 LYS HGy H 1 1.5315 0.0000 A 10 LYS HGx H 1 1.5275 0.0000 A 11 DBB H H 1 8.4530 0.0000 A 11 DBB HA H 1 4.8440 0.0000 A 11 DBB HB2 H 1 3.6230 0.0000 A 11 DBB HG% H 1 1.2933 0.0000 A 12 CYS HA H 1 4.0425 0.0000 A 12 CYS HBx H 1 2.8721 0.0000 A 12 CYS HBy H 1 3.1253 0.0000 A 13 ALA H H 1 8.5341 0.0000 A 13 ALA HA H 1 4.2466 0.0000 A 13 ALA HB% H 1 1.3520 0.0000 A 14 ALA H H 1 8.0235 0.0000 A 14 ALA HA H 1 4.4802 0.0000 A 14 ALA HB1 H 1 3.4106 0.0000 A 14 ALA HB2 H 1 3.1367 0.0000 A 14 ALA HB3 H 1 3.1367 0.0000 A 15 SER H H 1 8.4860 0.0000 A 15 SER HA H 1 4.3342 0.0000 A 15 SER HBy H 1 4.1431 0.0000 A 15 SER HBx H 1 3.9004 0.0000 A 16 CYS H H 1 8.2100 0.0000 A 16 CYS HA H 1 4.4372 0.0000 A 16 CYS HBx H 1 2.2611 0.0000 A 16 CYS HBy H 1 3.7104 0.0000 A 17 ALA H H 1 8.7704 0.0000 A 17 ALA HA H 1 4.0630 0.0000 A 17 ALA HB% H 1 1.4383 0.0000 A 18 ALA H H 1 7.9269 0.0000 A 18 ALA HA H 1 4.6412 0.0000 A 18 ALA HB1 H 1 3.1551 0.0000 A 18 ALA HB2 H 1 3.0991 0.0000 A 18 ALA HB3 H 1 3.0991 0.0000 A 19 SER H H 1 8.1477 0.0000 A 19 SER HA H 1 4.2714 0.0000 A 19 SER HBx H 1 3.8444 0.0000 A 19 SER HBy H 1 3.8469 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 14 ALA HB1 A 9 ALA HB% 1.0 . 4.72 2 2 A 14 ALA HB1 A 9 ALA HB% 1.0 . 5.04 3 3 A 10 LYS HA A 10 LYS HDx 1.0 . 4.42 4 3 A 10 LYS HA A 10 LYS HDy 1.0 . 4.42 5 4 A 10 LYS HA A 10 LYS HDy 1.0 . 5.50 6 5 A 10 LYS HA A 10 LYS HDx 1.0 . 5.50 7 6 A 10 LYS HA A 15 SER HBy 1.0 . 5.20 8 7 A 12 CYS HA A 18 ALA HA 1.0 . 5.50 9 8 A 18 ALA HA A 17 ALA HA 1.0 . 5.50 10 9 A 2 CYS HA A 14 ALA HA 1.0 . 5.20 11 10 A 14 ALA HB1 A 8 CYS HA 1.0 . 5.50 12 11 A 14 ALA HB1 A 10 LYS HA 1.0 . 5.50 13 12 A 10 LYS HA A 15 SER HBx 1.0 . 5.20 14 13 A 8 CYS HA A 9 ALA H 1.0 . 2.94 15 14 A 9 ALA H A 9 ALA HB% 1.0 . 3.07 16 15 A 8 CYS H A 8 CYS HBy 1.0 . 3.52 17 16 A 8 CYS H A 8 CYS HBx 1.0 . 3.52 18 17 A 17 ALA H A 17 ALA HB% 1.0 . 3.70 19 18 A 14 ALA HB1 A 14 ALA H 1.0 . 3.70 20 19 A 14 ALA HB1 A 14 ALA H 1.0 . 3.76 21 20 A 13 ALA H A 13 ALA HB% 1.0 . 3.81 22 21 A 19 SER H A 19 SER HBx 1.0 . 4.02 23 21 A 19 SER H A 19 SER HBy 1.0 . 4.02 24 22 A 9 ALA HB% A 10 LYS H 1.0 . 3.45 25 23 A 10 LYS H A 9 ALA HA 1.0 . 2.84 26 24 A 14 ALA HB1 A 9 ALA H 1.0 . 3.70 27 25 A 14 ALA HB1 A 9 ALA H 1.0 . 4.02 28 26 A 9 ALA H A 8 CYS HBx 1.0 . 4.54 29 27 A 14 ALA HB1 A 15 SER H 1.0 . 4.57 30 28 A 17 ALA HB% A 19 SER H 1.0 . 4.49 31 29 A 16 CYS H A 15 SER HBy 1.0 . 5.14 32 30 A 16 CYS H A 15 SER HBx 1.0 . 5.14 33 31 A 17 ALA HB% A 18 ALA H 1.0 . 3.64 34 32 A 19 SER H A 18 ALA HB1 1.0 . 4.00 35 33 A 17 ALA HB% A 18 ALA H 1.0 . 5.19 36 34 A 17 ALA HB% A 18 ALA H 1.0 . 5.50 37 35 A 17 ALA HB% A 18 ALA H 1.0 . 5.50 38 36 A 14 ALA H A 13 ALA HB% 1.0 . 4.68 39 37 A 14 ALA H A 13 ALA HB% 1.0 . 4.98 40 38 A 9 ALA H A 8 CYS HBy 1.0 . 4.54 41 39 A 19 SER H A 18 ALA HB1 1.0 . 4.05 42 40 A 18 ALA H A 18 ALA HB1 1.0 . 3.73 43 41 A 12 CYS HA A 14 ALA H 1.0 . 3.95 44 42 A 10 LYS H A 10 LYS HBx 1.0 . 3.71 45 43 A 10 LYS H A 10 LYS HBy 1.0 . 3.71 46 44 A 10 LYS H A 10 LYS HGy 1.0 . 4.75 47 45 A 10 LYS H A 10 LYS HGx 1.0 . 4.75 48 46 A 14 ALA HB1 A 15 SER H 1.0 . 5.15 49 47 A 12 CYS HA A 16 CYS H 1.0 . 4.06 50 48 A 14 ALA H A 13 ALA H 1.0 . 4.58 51 49 A 15 SER H A 16 CYS H 1.0 . 3.63 52 50 A 17 ALA H A 18 ALA H 1.0 . 4.33 53 51 A 8 CYS H A 7 GLY H 1.0 . 3.91 54 52 A 9 ALA H A 8 CYS H 1.0 . 5.03 55 53 A 14 ALA H A 9 ALA HB% 1.0 . 5.00 56 54 A 17 ALA H A 17 ALA HB% 1.0 . 4.11 57 55 A 17 ALA H A 17 ALA HB% 1.0 . 4.17 58 56 A 18 ALA H A 18 ALA HB1 1.0 . 3.69 59 57 A 14 ALA H A 15 SER H 1.0 . 5.21 60 58 A 14 ALA HA A 2 CYS HBy 1.0 . 3.47 61 58 A 14 ALA HA A 2 CYS HBx 1.0 . 3.47 62 59 A 14 ALA HB1 A 2 CYS HBy 1.0 . 4.12 63 59 A 14 ALA HB1 A 2 CYS HBx 1.0 . 4.12 64 60 A 14 ALA HB1 A 2 CYS HBx 1.0 . 3.85 65 60 A 14 ALA HB1 A 2 CYS HBy 1.0 . 3.85 66 61 A 8 CYS H A 8 CYS HBx 1.0 . 2.98 67 61 A 8 CYS H A 8 CYS HBy 1.0 . 2.98 68 62 A 9 ALA H A 8 CYS HBx 1.0 . 3.91 69 62 A 9 ALA H A 8 CYS HBy 1.0 . 3.91 70 63 A 14 ALA HB1 A 8 CYS HBx 1.0 . 5.10 71 63 A 14 ALA HB1 A 8 CYS HBy 1.0 . 5.10 72 64 A 8 CYS HBx A 15 SER HBx 1.0 . 4.76 73 64 A 15 SER HBy A 8 CYS HBx 1.0 . 4.76 74 64 A 8 CYS HBy A 15 SER HBy 1.0 . 4.76 75 64 A 8 CYS HBy A 15 SER HBx 1.0 . 4.76 76 65 A 10 LYS H A 10 LYS HBy 1.0 . 3.02 77 65 A 10 LYS H A 10 LYS HBx 1.0 . 3.02 78 66 A 10 LYS H A 10 LYS HGx 1.0 . 4.07 79 66 A 10 LYS H A 10 LYS HGy 1.0 . 4.07 80 67 A 10 LYS H A 10 LYS HDx 1.0 . 4.84 81 67 A 10 LYS HDy A 10 LYS H 1.0 . 4.84 82 68 A 10 LYS HA A 15 SER HBx 1.0 . 4.55 83 68 A 10 LYS HA A 15 SER HBy 1.0 . 4.55 84 69 A 12 CYS HA A 16 CYS HBx 1.0 . 3.59 85 69 A 12 CYS HA A 16 CYS HBy 1.0 . 3.59 86 70 A 16 CYS H A 15 SER HBx 1.0 . 4.48 87 70 A 16 CYS H A 15 SER HBy 1.0 . 4.48 88 71 A 16 CYS H A 16 CYS HBx 1.0 . 3.09 89 71 A 16 CYS H A 16 CYS HBy 1.0 . 3.09 90 72 A 17 ALA H A 16 CYS HBx 1.0 . 3.87 91 72 A 17 ALA H A 16 CYS HBy 1.0 . 3.87 92 73 A 17 ALA HA A 16 CYS HBx 1.0 . 5.34 93 73 A 17 ALA HA A 16 CYS HBy 1.0 . 5.34 94 74 A 18 ALA H A 16 CYS HBx 1.0 . 3.75 95 74 A 18 ALA H A 16 CYS HBy 1.0 . 3.75 stop_ save_