data_nef_c30344_6azg 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 30337 PDB 6AZG 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 GLY cyclic . false 2 A 2 SER middle . . 3 A 3 PRO middle . false 4 A 4 LEU middle . . 5 A 5 PHE middle . . 6 A 6 ASP cyclic . . 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 GLY H1 H 1 7.472 0.001 A 1 GLY HAx H 1 3.620 0.002 A 1 GLY HAy H 1 3.798 0.001 A 1 GLY CA C 13 46.217 0.013 A 2 SER H H 1 8.171 0.001 A 2 SER HA H 1 4.523 0.001 A 2 SER HB2 H 1 3.749 0.001 A 2 SER CA C 13 57.091 . A 2 SER CB C 13 63.921 . A 3 PRO HA H 1 4.582 0.001 A 3 PRO HBx H 1 2.149 0.004 A 3 PRO HBy H 1 2.183 . A 3 PRO HDx H 1 3.486 0.004 A 3 PRO HDy H 1 3.567 0.003 A 3 PRO HGy H 1 1.949 0.002 A 3 PRO HGx H 1 1.656 0.005 A 3 PRO CA C 13 63.999 . A 3 PRO CB C 13 33.876 . A 3 PRO CD C 13 50.284 . A 3 PRO CG C 13 24.245 . A 4 LEU H H 1 8.139 0.001 A 4 LEU HA H 1 4.484 0.004 A 4 LEU HB2 H 1 1.638 0.001 A 4 LEU HD1% H 1 0.803 0.0 A 4 LEU HG H 1 1.449 0.001 A 4 LEU CA C 13 54.771 . A 4 LEU CB C 13 42.670 . A 4 LEU CD1 C 13 24.908 . A 4 LEU CG C 13 27.304 . A 5 PHE H H 1 8.467 0.001 A 5 PHE HA H 1 4.267 0.003 A 5 PHE HBy H 1 3.069 0.001 A 5 PHE HBx H 1 2.967 0.004 A 5 PHE HD1 H 1 7.181 0.005 A 5 PHE HD2 H 1 7.181 0.005 A 5 PHE CA C 13 59.546 . A 5 PHE CB C 13 40.447 0.027 A 6 ASP H H 1 8.299 0.001 A 6 ASP HA H 1 4.355 0.001 A 6 ASP HBx H 1 2.644 0.0 A 6 ASP HBy H 1 2.697 0.0 A 6 ASP CA C 13 52.941 . A 6 ASP CB C 13 37.059 . stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_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 2 SER CA A 2 SER C A 3 PRO N A 3 PRO CA 1.0 -80.0 80.0 OMEGA 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 . . 12 . . . . 2 ppm . . 160 . . . . stop_ save_ save_spectral_peak_list_2 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_2 _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 . . 12 . . . . 2 ppm . . 12 . . . . stop_ save_ save_spectral_peak_list_3 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_3 _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 . . 12 . . . . 2 ppm . . 12 . . . . stop_ save_