data_nef_c36073_5xer 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 36074 PDB 5XER 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 4.058 0.003 A 1 THR HB H 1 3.830 0.080 A 1 THR HG2% H 1 1.300 0.004 A 2 VAL HA H 1 3.825 0.008 A 2 VAL HB H 1 2.053 0.055 A 2 VAL HGx% H 1 1.080 0.040 A 2 VAL HGy% H 1 0.930 0.001 A 3 TYR HA H 1 4.151 0.041 A 3 TYR HBx H 1 3.100 0.004 A 3 TYR HBy H 1 3.100 0.004 A 4 VAL HA H 1 3.579 0.005 A 4 VAL HB H 1 2.140 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 4.151 0.041 A 5 TYR HBx H 1 2.961 0.007 A 5 TYR HBy H 1 2.961 0.007 A 6 SER HA H 1 4.112 0.003 A 6 SER HBx H 1 3.950 0.019 A 6 SER HBy H 1 3.950 0.019 A 7 ARG HA H 1 4.198 0.007 A 7 ARG HBx H 1 1.850 0.003 A 7 ARG HBy H 1 1.850 0.003 A 7 ARG HGx H 1 1.600 0.003 A 7 ARG HGy H 1 1.600 0.003 A 8 VAL HA H 1 3.909 0.008 A 8 VAL HB H 1 2.150 0.035 A 8 VAL HGx% H 1 0.980 0.004 A 8 VAL HGy% H 1 0.980 0.004 A 9 LYS HA H 1 4.084 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 . 3.2 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 . 3.2 4 4 A 2 VAL H A 2 VAL HB 1.0 . 3.0 5 5 A 2 VAL H A 2 VAL HGx% 1.0 . 3.6 6 6 A 2 VAL H A 2 VAL HGy% 1.0 . 3.6 7 7 A 1 THR HG2% A 2 VAL H 1.0 . 4.5 8 8 A 2 VAL HA A 3 TYR H 1.0 . 3.2 9 9 A 2 VAL HB A 3 TYR H 1.0 . 3.0 10 10 A 2 VAL HGx% A 3 TYR H 1.0 . 3.7 11 11 A 2 VAL HGy% A 3 TYR H 1.0 . 3.7 12 12 A 3 TYR H A 3 TYR HBx 1.0 . 3.0 13 12 A 3 TYR H A 3 TYR HBy 1.0 . 3.0 14 13 A 3 TYR H A 4 VAL HGx% 1.0 . 5.1 15 14 A 3 TYR H A 4 VAL HGy% 1.0 . 5.1 16 15 A 3 TYR HA A 4 VAL H 1.0 . 3.4 17 16 A 4 VAL H A 3 TYR HBx 1.0 . 3.3 18 16 A 3 TYR HBy A 4 VAL H 1.0 . 3.3 19 17 A 4 VAL H A 4 VAL HB 1.0 . 3.5 20 18 A 4 VAL HGx% A 4 VAL H 1.0 . 3.6 21 19 A 4 VAL HGy% A 4 VAL H 1.0 . 3.6 22 20 A 2 VAL HA A 4 VAL H 1.0 . 3.8 23 21 A 4 VAL HA A 5 TYR H 1.0 . 3.5 24 22 A 5 TYR H A 5 TYR HBx 1.0 . 3.4 25 22 A 5 TYR H A 5 TYR HBy 1.0 . 3.4 26 23 A 4 VAL HB A 5 TYR H 1.0 . 3.4 27 24 A 4 VAL HGx% A 5 TYR H 1.0 . 4.1 28 25 A 4 VAL HGy% A 5 TYR H 1.0 . 4.1 29 26 A 2 VAL HA A 5 TYR H 1.0 . 3.1 30 27 A 3 TYR HA A 5 TYR H 1.0 . 4.5 31 28 A 2 VAL HGx% A 5 TYR H 1.0 . 4.6 32 29 A 2 VAL HGy% A 5 TYR H 1.0 . 4.6 33 30 A 5 TYR HA A 6 SER H 1.0 . 3.3 34 31 A 6 SER H A 6 SER HBx 1.0 . 3.0 35 31 A 6 SER H A 6 SER HBy 1.0 . 3.0 36 32 A 6 SER H A 5 TYR HBx 1.0 . 3.0 37 32 A 5 TYR HBy A 6 SER H 1.0 . 3.0 38 33 A 3 TYR HA A 6 SER H 1.0 . 3.7 39 34 A 2 VAL HA A 6 SER H 1.0 . 3.8 40 35 A 4 VAL HA A 6 SER H 1.0 . 4.1 41 36 A 6 SER H A 3 TYR HBx 1.0 . 5.1 42 36 A 3 TYR HBy A 6 SER H 1.0 . 5.1 43 37 A 2 VAL HB A 6 SER H 1.0 . 4.6 44 38 A 2 VAL HGx% A 6 SER H 1.0 . 3.4 45 39 A 6 SER HA A 7 ARG H 1.0 . 3.4 46 40 A 7 ARG H A 7 ARG HBx 1.0 . 3.0 47 40 A 7 ARG H A 7 ARG HBy 1.0 . 3.0 48 41 A 7 ARG H A 7 ARG HGx 1.0 . 3.4 49 41 A 7 ARG H A 7 ARG HGy 1.0 . 3.4 50 42 A 7 ARG H A 7 ARG HDx 1.0 . 4.3 51 42 A 7 ARG H A 7 ARG HDy 1.0 . 4.3 52 43 A 7 ARG H A 6 SER HBx 1.0 . 3.0 53 43 A 6 SER HBy A 7 ARG H 1.0 . 3.0 54 44 A 4 VAL HA A 7 ARG H 1.0 . 3.3 55 45 A 4 VAL HB A 7 ARG H 1.0 . 4.8 56 46 A 4 VAL HGx% A 7 ARG H 1.0 . 4.7 57 47 A 4 VAL HGy% A 7 ARG H 1.0 . 4.7 58 48 A 7 ARG HA A 8 VAL H 1.0 . 3.4 59 49 A 5 TYR HA A 8 VAL H 1.0 . 3.5 60 50 A 6 SER HA A 8 VAL H 1.0 . 4.4 61 51 A 8 VAL H A 8 VAL HB 1.0 . 3.0 62 52 A 8 VAL H A 8 VAL HGx% 1.0 . 3.6 63 53 A 8 VAL H A 8 VAL HGy% 1.0 . 3.6 64 54 A 8 VAL H A 7 ARG HBx 1.0 . 3.0 65 54 A 7 ARG HBy A 8 VAL H 1.0 . 3.0 66 55 A 8 VAL H A 7 ARG HGx 1.0 . 3.4 67 55 A 7 ARG HGy A 8 VAL H 1.0 . 3.4 68 56 A 8 VAL H A 7 ARG HDx 1.0 . 4.0 69 56 A 7 ARG HDy A 8 VAL H 1.0 . 4.0 70 57 A 4 VAL HB A 8 VAL H 1.0 . 4.4 71 58 A 8 VAL HA A 9 LYS H 1.0 . 3.4 72 59 A 9 LYS H A 9 LYS HBx 1.0 . 3.0 73 59 A 9 LYS H A 9 LYS HBy 1.0 . 3.0 74 60 A 9 LYS H A 9 LYS HGx 1.0 . 3.6 75 60 A 9 LYS H A 9 LYS HGy 1.0 . 3.6 76 61 A 9 LYS H A 9 LYS HDx 1.0 . 3.8 77 61 A 9 LYS H A 9 LYS HDy 1.0 . 3.8 78 62 A 8 VAL HB A 9 LYS H 1.0 . 3.0 79 63 A 8 VAL HGx% A 9 LYS H 1.0 . 3.8 80 64 A 8 VAL HGy% A 9 LYS H 1.0 . 3.8 81 65 A 5 TYR HA A 9 LYS H 1.0 . 3.7 82 66 A 7 ARG HA A 9 LYS H 1.0 . 4.0 83 67 A 6 SER HA A 9 LYS H 1.0 . 3.5 84 68 A 1 THR H1 A 2 VAL H 1.0 . 2.8 85 69 A 2 VAL H A 3 TYR H 1.0 . 2.8 86 70 A 3 TYR H A 4 VAL H 1.0 . 2.8 87 71 A 4 VAL H A 5 TYR H 1.0 . 2.8 88 72 A 5 TYR H A 6 SER H 1.0 . 2.8 89 73 A 6 SER H A 7 ARG H 1.0 . 2.8 90 74 A 7 ARG H A 8 VAL H 1.0 . 2.8 91 75 A 8 VAL H A 9 LYS H 1.0 . 2.8 92 76 A 1 THR H1 A 3 TYR H 1.0 . 4.2 93 77 A 3 TYR H A 5 TYR H 1.0 . 4.0 94 78 A 5 TYR H A 7 ARG H 1.0 . 4.0 95 79 A 3 TYR HD% A 5 TYR HD% 1.0 . 4.9 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 N A 1 THR CA A 1 THR C A 2 VAL N 1.0 -40.0 -20.0 PSI 2 2 A 1 THR C A 2 VAL N A 2 VAL CA A 2 VAL C 1.0 -80.0 -60.0 PHI 3 3 A 2 VAL N A 2 VAL CA A 2 VAL C A 3 TYR N 1.0 -40.0 -20.0 PSI 4 4 A 2 VAL C A 3 TYR N A 3 TYR CA A 3 TYR C 1.0 -80.0 -60.0 PHI 5 5 A 3 TYR N A 3 TYR CA A 3 TYR C A 4 VAL N 1.0 -40.0 -20.0 PSI 6 6 A 3 TYR C A 4 VAL N A 4 VAL CA A 4 VAL C 1.0 -80.0 -60.0 PHI 7 7 A 4 VAL N A 4 VAL CA A 4 VAL C A 5 TYR N 1.0 -40.0 -20.0 PSI 8 8 A 4 VAL C A 5 TYR N A 5 TYR CA A 5 TYR C 1.0 -80.0 -60.0 PHI 9 9 A 5 TYR N A 5 TYR CA A 5 TYR C A 6 SER N 1.0 -40.0 -20.0 PSI 10 10 A 5 TYR C A 6 SER N A 6 SER CA A 6 SER C 1.0 -80.0 -60.0 PHI 11 11 A 6 SER N A 6 SER CA A 6 SER C A 7 ARG N 1.0 -40.0 -20.0 PSI 12 12 A 6 SER C A 7 ARG N A 7 ARG CA A 7 ARG C 1.0 -80.0 -60.0 PHI 13 13 A 7 ARG N A 7 ARG CA A 7 ARG C A 8 VAL N 1.0 -40.0 -20.0 PSI 14 14 A 7 ARG C A 8 VAL N A 8 VAL CA A 8 VAL C 1.0 -80.0 -60.0 PHI 15 15 A 8 VAL N A 8 VAL CA A 8 VAL C A 9 LYS N 1.0 -40.0 -20.0 PSI 16 16 A 8 VAL C A 9 LYS N A 9 LYS CA A 9 LYS C 1.0 -80.0 -60.0 PHI stop_ save_