data_nef_c34222_6fce 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 6FCE 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 1 AC5 N 1 6 ASP CG 1 1 AC5 C 1 2 HIS N 1 2 HIS C 1 3 DPN N 1 3 DPN C 1 4 ARG N 1 6 ASP C 1 7 NH2 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 5 AC5 start -HN2,-OXT . 2 A 6 HIS middle -H2,-OXT . 3 A 7 DPN middle -H2,-OXT . 4 A 8 ARG middle -H2 . 5 A 9 TRP middle . . 6 A 10 ASP middle -OXT . 7 A 11 NH2 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 5 AC5 H H 1 8.463 0.000 A 5 AC5 HB1x H 1 1.707 0.000 A 5 AC5 HB2y H 1 2.127 0.000 A 5 AC5 HB2x H 1 1.827 0.000 A 5 AC5 HG2y H 1 1.647 0.000 A 5 AC5 HG2x H 1 1.532 0.000 A 6 HIS H H 1 8.000 0.000 A 6 HIS HA H 1 4.988 0.000 A 6 HIS HBx H 1 3.096 0.000 A 6 HIS HBy H 1 3.167 0.000 A 6 HIS HD2 H 1 7.268 0.000 A 6 HIS HE1 H 1 8.663 0.000 A 7 DPN H H 1 9.190 0.000 A 7 DPN HA H 1 4.120 0.000 A 7 DPN HBy H 1 3.062 0.000 A 7 DPN HBx H 1 2.960 0.000 A 7 DPN HDx H 1 7.197 0.002 A 7 DPN HDy H 1 7.197 0.002 A 7 DPN HEx H 1 7.291 0.000 A 7 DPN HEy H 1 7.291 0.000 A 8 ARG H H 1 6.760 0.000 A 8 ARG HA H 1 4.108 0.000 A 8 ARG HBx H 1 0.770 0.001 A 8 ARG HBy H 1 1.270 0.000 A 8 ARG HDx H 1 2.760 0.000 A 8 ARG HDy H 1 2.760 0.000 A 8 ARG HE H 1 7.297 0.001 A 8 ARG HGx H 1 0.466 0.000 A 8 ARG HGy H 1 0.487 0.000 A 9 TRP H H 1 8.005 0.000 A 9 TRP HA H 1 4.707 0.000 A 9 TRP HBx H 1 3.236 0.000 A 9 TRP HBy H 1 3.416 0.000 A 9 TRP HD1 H 1 7.282 0.000 A 9 TRP HE1 H 1 10.704 0.000 A 9 TRP HE3 H 1 7.643 0.000 A 9 TRP HH2 H 1 7.075 0.000 A 9 TRP HZ2 H 1 7.437 0.000 A 9 TRP HZ3 H 1 7.014 0.001 A 10 ASP H H 1 7.965 0.000 A 10 ASP HA H 1 4.716 0.000 A 10 ASP HBx H 1 2.783 0.000 A 10 ASP HBy H 1 2.783 0.000 A 11 NH2 HNy H 1 7.538 0.000 A 11 NH2 HNx H 1 7.214 0.002 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 6 HIS H A 5 AC5 HB1y 1.0 . 3.53 2 1 A 5 AC5 HB1x A 6 HIS H 1.0 . 3.53 3 2 A 6 HIS H A 5 AC5 HB2y 1.0 . 3.70 4 3 A 5 AC5 HB2x A 6 HIS H 1.0 . 3.70 5 4 A 6 HIS H A 5 AC5 HB2y 1.0 . 3.12 6 4 A 5 AC5 HB2x A 6 HIS H 1.0 . 3.12 7 5 A 6 HIS HD2 A 5 AC5 HB2y 1.0 . 5.34 8 5 A 5 AC5 HB2x A 6 HIS HD2 1.0 . 5.34 9 6 A 6 HIS H A 5 AC5 HG1y 1.0 . 5.79 10 6 A 5 AC5 HG1x A 6 HIS H 1.0 . 5.79 11 7 A 6 HIS H A 6 HIS HBx 1.0 . 3.05 12 8 A 6 HIS H A 6 HIS HBy 1.0 . 3.05 13 9 A 6 HIS H A 10 ASP HBx 1.0 . 4.64 14 9 A 6 HIS H A 10 ASP HBy 1.0 . 4.64 15 10 A 6 HIS HD2 A 6 HIS HA 1.0 . 4.38 16 11 A 6 HIS HD2 A 6 HIS HBx 1.0 . 3.36 17 12 A 6 HIS HD2 A 6 HIS HBy 1.0 . 3.36 18 13 A 9 TRP HE3 A 6 HIS HBy 1.0 . 4.68 19 13 A 6 HIS HBx A 9 TRP HE3 1.0 . 4.68 20 14 A 8 ARG H A 9 TRP H 1.0 . 3.27 21 15 A 10 ASP H A 8 ARG H 1.0 . 4.33 22 16 A 8 ARG HA A 8 ARG HBy 1.0 . 2.66 23 16 A 8 ARG HA A 8 ARG HBx 1.0 . 2.66 24 17 A 9 TRP H A 8 ARG HA 1.0 . 2.99 25 18 A 10 ASP H A 8 ARG HA 1.0 . 3.73 26 19 A 9 TRP H A 8 ARG HBx 1.0 . 3.89 27 20 A 9 TRP HE3 A 8 ARG HBx 1.0 . 5.50 28 21 A 9 TRP H A 8 ARG HBy 1.0 . 3.89 29 22 A 9 TRP HE3 A 8 ARG HBy 1.0 . 5.50 30 23 A 9 TRP HZ3 A 8 ARG HBy 1.0 . 5.34 31 23 A 9 TRP HZ3 A 8 ARG HBx 1.0 . 5.34 32 24 A 9 TRP H A 8 ARG HGx 1.0 . 5.02 33 24 A 8 ARG HGy A 9 TRP H 1.0 . 5.02 34 25 A 9 TRP HE3 A 8 ARG HGx 1.0 . 5.34 35 25 A 9 TRP HE3 A 8 ARG HGy 1.0 . 5.34 36 26 A 9 TRP HZ3 A 8 ARG HGx 1.0 . 5.34 37 26 A 9 TRP HZ3 A 8 ARG HGy 1.0 . 5.34 38 27 A 9 TRP HZ2 A 8 ARG HGx 1.0 . 5.34 39 27 A 8 ARG HGy A 9 TRP HZ2 1.0 . 5.34 40 28 A 9 TRP HE3 A 8 ARG HDx 1.0 . 6.38 41 28 A 9 TRP HE3 A 8 ARG HDy 1.0 . 6.38 42 29 A 9 TRP HZ3 A 8 ARG HDx 1.0 . 5.73 43 29 A 9 TRP HZ3 A 8 ARG HDy 1.0 . 5.73 44 30 A 9 TRP HZ2 A 8 ARG HDx 1.0 . 6.38 45 30 A 9 TRP HZ2 A 8 ARG HDy 1.0 . 6.38 46 31 A 9 TRP HH2 A 8 ARG HDx 1.0 . 6.38 47 31 A 9 TRP HH2 A 8 ARG HDy 1.0 . 6.38 48 32 A 9 TRP H A 9 TRP HBx 1.0 . 3.11 49 33 A 9 TRP H A 9 TRP HBy 1.0 . 3.24 50 34 A 9 TRP HE3 A 9 TRP H 1.0 . 3.67 51 35 A 9 TRP HA A 9 TRP HD1 1.0 . 3.02 52 36 A 9 TRP HE3 A 9 TRP HA 1.0 . 3.79 53 37 A 9 TRP HE3 A 9 TRP HBx 1.0 . 3.27 54 38 A 9 TRP HZ3 A 9 TRP HBx 1.0 . 5.07 55 39 A 10 ASP H A 9 TRP HBx 1.0 . 3.55 56 40 A 9 TRP HBy A 9 TRP HD1 1.0 . 3.48 57 41 A 9 TRP HE3 A 9 TRP HBy 1.0 . 3.45 58 42 A 9 TRP HZ3 A 9 TRP HBy 1.0 . 5.50 59 43 A 10 ASP H A 9 TRP HBy 1.0 . 3.61 60 44 A 10 ASP H A 10 ASP HBx 1.0 . 4.11 61 44 A 10 ASP H A 10 ASP HBy 1.0 . 4.11 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 . . 16 . . . . 2 ppm . . 16 . . . . stop_ save_