data_nef_c36074_5xes 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 BMRB 36073 PDB 5XES 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 THR start . . 2 A 2 VAL middle . . 3 A 3 TYR middle . . 4 A 4 VAL middle . . 5 A 5 TYR middle . . 6 A 6 SER middle . . 7 A 7 ARG middle . . 8 A 8 VAL middle . . 9 A 9 LYS 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 THR HA H 1 4.123 0.003 A 1 THR HB H 1 3.910 0.080 A 1 THR HG2% H 1 1.240 0.004 A 2 VAL HA H 1 3.945 0.008 A 2 VAL HB H 1 2.033 0.055 A 2 VAL HGx% H 1 0.860 0.040 A 2 VAL HGy% H 1 0.771 0.001 A 3 TYR HA H 1 4.332 0.061 A 3 TYR HBx H 1 3.090 0.004 A 3 TYR HBy H 1 3.090 0.004 A 4 VAL HA H 1 3.694 0.008 A 4 VAL HB H 1 2.130 0.035 A 4 VAL HGx% H 1 1.040 0.004 A 4 VAL HGy% H 1 0.900 0.001 A 5 TYR HA H 1 4.201 0.041 A 5 TYR HBx H 1 3.071 0.007 A 5 TYR HBy H 1 3.071 0.007 A 6 SER HA H 1 4.195 0.003 A 6 SER HBx H 1 3.881 0.019 A 6 SER HBy H 1 3.881 0.019 A 7 ARG HA H 1 4.233 0.007 A 7 ARG HBx H 1 1.830 0.003 A 7 ARG HBy H 1 1.830 0.003 A 7 ARG HGx H 1 1.590 0.003 A 7 ARG HGy H 1 1.590 0.003 A 8 VAL HA H 1 3.994 0.008 A 8 VAL HB H 1 2.090 0.035 A 8 VAL HGx% H 1 0.950 0.004 A 8 VAL HGy% H 1 0.950 0.004 A 9 LYS HA H 1 4.204 0.006 A 9 LYS HBx H 1 1.700 0.003 A 9 LYS HBy H 1 1.700 0.003 A 9 LYS HDx H 1 1.520 0.003 A 9 LYS HDy H 1 1.520 0.003 A 9 LYS HGx H 1 1.300 0.003 A 9 LYS HGy H 1 1.300 0.003 stop_ save_ save_DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_4 _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 1 THR HB A 1 THR H1 1.0 . 3.3 2 2 A 1 THR H1 A 1 THR HG2% 1.0 . 3.8 3 3 A 1 THR HA A 2 VAL H 1.0 . 3.6 4 4 A 1 THR HB A 4 VAL H 1.0 . 4.6 5 5 A 4 VAL H A 2 VAL HA 1.0 . 4.2 6 6 A 2 VAL H A 2 VAL HB 1.0 . 3.5 7 7 A 2 VAL HB A 3 TYR H 1.0 . 3.2 8 8 A 2 VAL H A 2 VAL HGx% 1.0 . 3.8 9 9 A 2 VAL H A 2 VAL HGy% 1.0 . 3.6 10 10 A 2 VAL HA A 5 TYR H 1.0 . 4.3 11 11 A 2 VAL HGx% A 5 TYR H 1.0 . 5.3 12 12 A 2 VAL HGy% A 5 TYR H 1.0 . 4.8 13 13 A 3 TYR H A 2 VAL HGy% 1.0 . 3.1 14 14 A 2 VAL HA A 3 TYR H 1.0 . 3.7 15 15 A 3 TYR H A 3 TYR HBx 1.0 . 3.7 16 15 A 3 TYR H A 3 TYR HBy 1.0 . 3.7 17 16 A 4 VAL H A 3 TYR HBx 1.0 . 3.3 18 16 A 4 VAL H A 3 TYR HBy 1.0 . 3.3 19 17 A 4 VAL H A 4 VAL HB 1.0 . 3.5 20 18 A 4 VAL H A 4 VAL HGx% 1.0 . 3.6 21 19 A 4 VAL H A 4 VAL HGy% 1.0 . 3.6 22 20 A 5 TYR H A 4 VAL HA 1.0 . 3.5 23 21 A 5 TYR H A 4 VAL HB 1.0 . 3.3 24 22 A 4 VAL HA A 7 ARG H 1.0 . 3.7 25 23 A 5 TYR H A 5 TYR HBx 1.0 . 3.4 26 23 A 5 TYR H A 5 TYR HBy 1.0 . 3.4 27 24 A 6 SER H A 5 TYR HBx 1.0 . 3.3 28 24 A 5 TYR HBy A 6 SER H 1.0 . 3.3 29 25 A 6 SER H A 5 TYR HA 1.0 . 3.3 30 26 A 6 SER H A 6 SER HBx 1.0 . 3.0 31 26 A 6 SER H A 6 SER HBy 1.0 . 3.0 32 27 A 7 ARG H A 6 SER HBx 1.0 . 3.3 33 27 A 7 ARG H A 6 SER HBy 1.0 . 3.3 34 28 A 6 SER H A 3 TYR HA 1.0 . 3.2 35 29 A 4 VAL H A 3 TYR HA 1.0 . 3.5 36 30 A 7 ARG H A 6 SER HA 1.0 . 3.4 37 31 A 7 ARG H A 7 ARG HBx 1.0 . 3.0 38 31 A 7 ARG H A 7 ARG HBy 1.0 . 3.0 39 32 A 8 VAL H A 7 ARG HBx 1.0 . 3.3 40 32 A 7 ARG HBy A 8 VAL H 1.0 . 3.3 41 33 A 7 ARG H A 7 ARG HGx 1.0 . 3.4 42 33 A 7 ARG H A 7 ARG HGy 1.0 . 3.4 43 34 A 7 ARG H A 7 ARG HDx 1.0 . 4.3 44 34 A 7 ARG H A 7 ARG HDy 1.0 . 4.3 45 35 A 8 VAL H A 7 ARG HA 1.0 . 3.4 46 36 A 8 VAL H A 8 VAL HB 1.0 . 3.0 47 37 A 8 VAL H A 8 VAL HGx% 1.0 . 3.6 48 38 A 8 VAL H A 8 VAL HGy% 1.0 . 3.6 49 39 A 8 VAL H A 7 ARG HBx 1.0 . 3.0 50 39 A 7 ARG HBy A 8 VAL H 1.0 . 3.0 51 40 A 8 VAL H A 7 ARG HGx 1.0 . 3.4 52 40 A 8 VAL H A 7 ARG HGy 1.0 . 3.4 53 41 A 8 VAL HA A 9 LYS H 1.0 . 3.4 54 42 A 9 LYS H A 9 LYS HBx 1.0 . 3.0 55 42 A 9 LYS H A 9 LYS HBy 1.0 . 3.0 56 43 A 9 LYS H A 9 LYS HGx 1.0 . 3.6 57 43 A 9 LYS H A 9 LYS HGy 1.0 . 3.6 58 44 A 9 LYS H A 9 LYS HDx 1.0 . 3.8 59 44 A 9 LYS H A 9 LYS HDy 1.0 . 3.8 60 45 A 8 VAL HB A 9 LYS H 1.0 . 3.0 61 46 A 8 VAL HGx% A 9 LYS H 1.0 . 3.8 62 47 A 8 VAL HGy% A 9 LYS H 1.0 . 3.8 63 48 A 1 THR H1 A 2 VAL H 1.0 . 2.8 64 49 A 2 VAL H A 3 TYR H 1.0 . 2.8 65 50 A 4 VAL H A 3 TYR H 1.0 . 2.8 66 51 A 4 VAL H A 5 TYR H 1.0 . 2.8 67 52 A 5 TYR H A 6 SER H 1.0 . 2.8 68 53 A 7 ARG H A 6 SER H 1.0 . 2.8 69 54 A 7 ARG H A 8 VAL H 1.0 . 2.8 70 55 A 8 VAL H A 9 LYS H 1.0 . 2.8 stop_ save_ save_DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 1 THR C A 2 VAL N A 2 VAL CA A 2 VAL C 1.0 -80.0 -60.0 PHI 2 2 A 2 VAL N A 2 VAL CA A 2 VAL C A 3 TYR N 1.0 -40.0 -20.0 PSI 3 3 A 2 VAL C A 3 TYR N A 3 TYR CA A 3 TYR C 1.0 -80.0 -60.0 PHI 4 4 A 3 TYR N A 3 TYR CA A 3 TYR C A 4 VAL N 1.0 -40.0 -20.0 PSI 5 5 A 3 TYR C A 4 VAL N A 4 VAL CA A 4 VAL C 1.0 -80.0 -60.0 PHI 6 6 A 4 VAL N A 4 VAL CA A 4 VAL C A 5 TYR N 1.0 -40.0 -20.0 PSI 7 7 A 4 VAL C A 5 TYR N A 5 TYR CA A 5 TYR C 1.0 -80.0 -60.0 PHI 8 8 A 5 TYR N A 5 TYR CA A 5 TYR C A 6 SER N 1.0 -40.0 -20.0 PSI 9 9 A 5 TYR C A 6 SER N A 6 SER CA A 6 SER C 1.0 -80.0 -60.0 PHI 10 10 A 6 SER N A 6 SER CA A 6 SER C A 7 ARG N 1.0 -40.0 -20.0 PSI stop_ save_