data_nef_c34319_6hvb 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 6HVB PDB 6HVC 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 2 CYS SG 1 7 CYS SG 1 3 PHE C 1 4 E9M N 1 4 E9M C 1 5 LYS 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 4 ASP start . . 2 A 5 CYS middle -HG . 3 A 6 PHE middle -OXT . 4 A 7 E9M middle -OXT . 5 A 8 LYS middle -H2 . 6 A 9 TYR middle . . 7 A 10 CYS middle -HG . 8 A 11 VAL 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 4 ASP HA H 1 4.466 0.002 A 4 ASP HBx H 1 2.833 0.006 A 4 ASP HBy H 1 2.833 0.006 A 5 CYS H H 1 8.561 0.001 A 5 CYS HA H 1 5.581 0.005 A 5 CYS HBx H 1 2.896 0.004 A 5 CYS HBy H 1 2.983 0.005 A 6 PHE H H 1 9.172 0.000 A 6 PHE HA H 1 5.114 0.000 A 6 PHE HBx H 1 3.056 0.000 A 6 PHE HBy H 1 3.149 0.002 A 6 PHE HDx H 1 7.263 0.002 A 6 PHE HDy H 1 7.263 0.002 A 6 PHE HEx H 1 7.193 0.000 A 6 PHE HEy H 1 7.193 0.000 A 7 E9M HN% H 1 2.914 0.000 A 7 E9M HA H 1 4.181 0.001 A 7 E9M HBx H 1 3.070 0.004 A 7 E9M HBy H 1 3.748 0.002 A 7 E9M HD1 H 1 7.337 0.000 A 7 E9M HE1 H 1 10.248 0.001 A 7 E9M HE3 H 1 7.603 0.001 A 7 E9M HZ2 H 1 7.570 0.003 A 7 E9M HZ3 H 1 7.192 0.001 A 8 LYS H H 1 6.274 0.003 A 8 LYS HA H 1 4.046 0.002 A 8 LYS HBx H 1 0.965 0.001 A 8 LYS HBy H 1 1.161 0.001 A 8 LYS HGx H 1 -0.249 0.000 A 8 LYS HGy H 1 0.039 0.002 A 8 LYS HDx H 1 1.029 0.000 A 8 LYS HDy H 1 1.029 0.000 A 8 LYS HEx H 1 2.419 0.004 A 8 LYS HEy H 1 2.511 0.004 A 8 LYS HZ1 H 1 7.249 0.005 A 8 LYS HZ2 H 1 7.249 0.005 A 8 LYS HZ3 H 1 7.249 0.005 A 9 TYR H H 1 8.182 0.000 A 9 TYR HA H 1 4.788 0.000 A 9 TYR HBx H 1 2.919 0.002 A 9 TYR HBy H 1 3.071 0.002 A 9 TYR HDx H 1 7.135 0.002 A 9 TYR HDy H 1 7.135 0.002 A 9 TYR HEx H 1 6.685 0.001 A 9 TYR HEy H 1 6.685 0.001 A 10 CYS H H 1 8.411 0.000 A 10 CYS HA H 1 5.357 0.002 A 10 CYS HBx H 1 2.932 0.003 A 10 CYS HBy H 1 2.932 0.003 A 11 VAL H H 1 8.391 0.000 A 11 VAL HA H 1 4.453 0.004 A 11 VAL HB H 1 2.273 0.000 A 11 VAL HGx% H 1 1.011 0.004 A 11 VAL HGy% H 1 1.011 0.004 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 4 ASP HA A 5 CYS H 1.0 . 2.80 2 2 A 5 CYS H A 4 ASP HBx 1.0 . 4.61 3 2 A 5 CYS H A 4 ASP HBy 1.0 . 4.61 4 3 A 6 PHE HD% A 4 ASP HBx 1.0 . 5.50 5 3 A 4 ASP HBy A 6 PHE HD% 1.0 . 5.50 6 4 A 4 ASP HBx A 11 VAL HGx% 1.0 . 8.50 7 4 A 4 ASP HBy A 11 VAL HGx% 1.0 . 8.50 8 4 A 11 VAL HGy% A 4 ASP HBx 1.0 . 8.50 9 4 A 4 ASP HBy A 11 VAL HGy% 1.0 . 8.50 10 5 A 5 CYS H A 5 CYS HBx 1.0 . 3.55 11 6 A 5 CYS H A 5 CYS HBy 1.0 . 3.55 12 7 A 5 CYS H A 5 CYS HBy 1.0 . 3.04 13 7 A 5 CYS H A 5 CYS HBx 1.0 . 3.04 14 8 A 5 CYS HA A 6 PHE H 1.0 . 2.74 15 9 A 6 PHE HD% A 5 CYS HA 1.0 . 7.62 16 10 A 5 CYS HA A 10 CYS HA 1.0 . 2.86 17 11 A 5 CYS HA A 11 VAL H 1.0 . 3.55 18 12 A 6 PHE H A 5 CYS HBy 1.0 . 3.10 19 12 A 5 CYS HBx A 6 PHE H 1.0 . 3.10 20 13 A 6 PHE H A 6 PHE HBx 1.0 . 3.45 21 14 A 6 PHE H A 6 PHE HBy 1.0 . 3.45 22 15 A 6 PHE HD% A 6 PHE H 1.0 . 7.62 23 16 A 6 PHE H A 9 TYR H 1.0 . 3.76 24 17 A 6 PHE H A 10 CYS HA 1.0 . 3.61 25 18 A 6 PHE HD% A 6 PHE HA 1.0 . 6.72 26 19 A 8 LYS H A 8 LYS HBx 1.0 . 3.45 27 20 A 8 LYS H A 8 LYS HBy 1.0 . 3.45 28 21 A 8 LYS H A 8 LYS HGx 1.0 . 4.26 29 22 A 8 LYS H A 8 LYS HGy 1.0 . 4.26 30 23 A 8 LYS H A 8 LYS HGy 1.0 . 3.49 31 23 A 8 LYS H A 8 LYS HGx 1.0 . 3.49 32 24 A 9 TYR H A 8 LYS H 1.0 . 3.24 33 25 A 8 LYS H A 9 TYR HD% 1.0 . 7.64 34 26 A 8 LYS HA A 8 LYS HDx 1.0 . 6.38 35 26 A 8 LYS HDy A 8 LYS HA 1.0 . 6.38 36 27 A 9 TYR H A 8 LYS HA 1.0 . 3.52 37 28 A 9 TYR H A 8 LYS HGx 1.0 . 5.50 38 29 A 9 TYR HD% A 8 LYS HGx 1.0 . 7.64 39 30 A 8 LYS HGx A 9 TYR HE% 1.0 . 7.63 40 31 A 9 TYR H A 8 LYS HGy 1.0 . 5.50 41 32 A 9 TYR HD% A 8 LYS HGy 1.0 . 7.64 42 33 A 9 TYR HE% A 8 LYS HGy 1.0 . 7.63 43 34 A 9 TYR HE% A 8 LYS HEx 1.0 . 7.63 44 35 A 9 TYR HE% A 8 LYS HEy 1.0 . 7.63 45 36 A 9 TYR H A 9 TYR HBx 1.0 . 3.27 46 37 A 9 TYR H A 9 TYR HBy 1.0 . 3.27 47 38 A 9 TYR H A 9 TYR HBx 1.0 . 2.79 48 38 A 9 TYR H A 9 TYR HBy 1.0 . 2.79 49 39 A 9 TYR H A 9 TYR HD% 1.0 . 6.74 50 40 A 9 TYR HD% A 9 TYR HA 1.0 . 6.09 51 41 A 9 TYR HA A 10 CYS H 1.0 . 2.77 52 42 A 10 CYS H A 9 TYR HBx 1.0 . 3.43 53 42 A 9 TYR HBy A 10 CYS H 1.0 . 3.43 54 43 A 9 TYR HD% A 10 CYS H 1.0 . 7.64 55 44 A 10 CYS H A 10 CYS HBx 1.0 . 4.14 56 44 A 10 CYS H A 10 CYS HBy 1.0 . 4.14 57 45 A 10 CYS HA A 11 VAL HGx% 1.0 . 7.62 58 45 A 11 VAL HGy% A 10 CYS HA 1.0 . 7.62 59 46 A 10 CYS HBy A 11 VAL HGx% 1.0 . 8.50 60 46 A 10 CYS HBx A 11 VAL HGx% 1.0 . 8.50 61 46 A 11 VAL HGy% A 10 CYS HBx 1.0 . 8.50 62 46 A 11 VAL HGy% A 10 CYS HBy 1.0 . 8.50 63 47 A 11 VAL H A 11 VAL HB 1.0 . 3.89 64 48 A 11 VAL H A 11 VAL HGx% 1.0 . 6.10 65 48 A 11 VAL HGy% A 11 VAL H 1.0 . 6.10 stop_ save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 2 _nef_nmr_spectrum.chemical_shift_list . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 ppm . . 14 . . . . 2 ppm . . 14 . . . . stop_ save_