data_nef_c30341_6axi 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 6AXI 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 ASP cyclic . . 2 A 2 LEU middle . . 3 A 3 PHE middle . . 4 A 4 VAL middle . . 5 A 5 PRO middle . true 6 A 6 PRO middle . false 7 A 7 ILE middle . . 8 A 8 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 ASP H1 H 1 8.204 0.0 A 1 ASP HA H 1 4.200 0.001 A 1 ASP HBx H 1 2.685 0.005 A 1 ASP HBy H 1 2.910 0.002 A 1 ASP C C 13 170.591 . A 1 ASP CB C 13 36.483 . A 2 LEU H H 1 7.473 0.001 A 2 LEU HA H 1 4.202 0.003 A 2 LEU HBy H 1 2.352 0.003 A 2 LEU HBx H 1 1.353 0.007 A 2 LEU HD1% H 1 0.871 0.006 A 2 LEU HG H 1 1.743 0.004 A 2 LEU CA C 13 52.288 0.029 A 2 LEU CB C 13 41.259 . A 2 LEU CG C 13 25.386 . A 3 PHE H H 1 7.899 0.001 A 3 PHE HA H 1 4.287 0.002 A 3 PHE HBx H 1 2.933 0.002 A 3 PHE HBy H 1 2.998 0.005 A 3 PHE HD1 H 1 7.033 0.002 A 3 PHE HD2 H 1 7.033 0.002 A 3 PHE HE1 H 1 7.120 0.001 A 3 PHE HE2 H 1 7.120 0.001 A 3 PHE HZ H 1 7.204 0.003 A 3 PHE C C 13 173.620 . A 3 PHE CA C 13 58.043 . A 3 PHE CB C 13 38.831 . A 3 PHE CZ C 13 127.958 . A 4 VAL H H 1 7.276 0.001 A 4 VAL HA H 1 4.012 0.003 A 4 VAL HB H 1 1.946 0.001 A 4 VAL HGx% H 1 0.845 . A 4 VAL HGy% H 1 0.886 0.002 A 4 VAL C C 13 172.944 0.006 A 4 VAL CA C 13 56.892 . A 5 PRO HA H 1 4.854 0.003 A 5 PRO HB2 H 1 2.319 0.002 A 5 PRO HD2 H 1 3.625 0.001 A 5 PRO HG2 H 1 1.791 0.004 A 5 PRO CA C 13 60.061 . A 5 PRO CB C 13 31.948 0.0 A 5 PRO CD C 13 47.620 . A 5 PRO CG C 13 22.982 0.016 A 6 PRO HA H 1 4.639 0.003 A 6 PRO HBx H 1 1.774 0.001 A 6 PRO HBy H 1 1.937 0.004 A 6 PRO HD2 H 1 3.565 0.002 A 6 PRO HGy H 1 2.133 0.001 A 6 PRO HGx H 1 1.999 0.001 A 6 PRO CA C 13 60.875 . A 6 PRO CB C 13 33.901 . A 6 PRO CD C 13 48.094 . A 6 PRO CG C 13 26.734 . A 7 ILE H H 1 7.981 0.001 A 7 ILE HA H 1 4.299 0.002 A 7 ILE HB H 1 1.570 0.003 A 7 ILE HD1% H 1 1.322 0.002 A 7 ILE HG1y H 1 0.869 0.0 A 7 ILE HG1x H 1 0.784 0.005 A 7 ILE HG2% H 1 0.719 0.003 A 7 ILE C C 13 171.788 . A 7 ILE CA C 13 57.552 . A 7 ILE CB C 13 39.939 0.045 A 7 ILE CG1 C 13 23.209 . A 7 ILE CG2 C 13 16.618 . A 8 ASP H H 1 9.004 0.001 A 8 ASP HA H 1 3.896 0.003 A 8 ASP HBx H 1 2.602 0.003 A 8 ASP HBy H 1 2.913 0.008 A 8 ASP CA C 13 53.386 0.03 A 8 ASP CB C 13 35.775 0.016 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-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 ASP HBx A 1 ASP HA 1.0 1.8 6.0 2 2 A 1 ASP HBy A 1 ASP HA 1.0 1.8 6.0 3 3 A 2 LEU H A 2 LEU HA 1.0 1.8 6.0 4 4 A 2 LEU H A 2 LEU HBy 1.0 1.8 6.0 5 5 A 2 LEU H A 2 LEU HBx 1.0 1.8 6.0 6 6 A 2 LEU HA A 2 LEU HG 1.0 1.8 6.0 7 7 A 2 LEU HA A 2 LEU HD1% 1.0 1.8 6.0 8 8 A 2 LEU HA A 2 LEU HBx 1.0 1.8 6.0 9 9 A 2 LEU HA A 2 LEU HBy 1.0 1.8 6.0 10 10 A 2 LEU HBy A 2 LEU HBx 1.0 1.8 6.0 11 11 A 2 LEU HD1% A 5 PRO HA 1.0 1.8 6.0 12 12 A 2 LEU HA A 3 PHE H 1.0 1.8 6.0 13 13 A 2 LEU HBy A 3 PHE H 1.0 1.8 6.0 14 14 A 2 LEU HD1% A 3 PHE H 1.0 1.8 6.0 15 15 A 2 LEU HBx A 3 PHE H 1.0 1.8 6.0 16 16 A 2 LEU HBy A 3 PHE HA 1.0 1.8 6.0 17 17 A 3 PHE H A 3 PHE HA 1.0 1.8 6.0 18 18 A 3 PHE H A 3 PHE HBx 1.0 1.8 6.0 19 19 A 3 PHE H A 3 PHE HBy 1.0 1.8 6.0 20 20 A 3 PHE HA A 3 PHE HBy 1.0 1.8 6.0 21 21 A 3 PHE HA A 3 PHE HBx 1.0 1.8 6.0 22 22 A 3 PHE H A 4 VAL H 1.0 1.8 6.0 23 23 A 3 PHE HA A 4 VAL HB 1.0 1.8 6.0 24 24 A 2 LEU HBx A 4 VAL H 1.0 1.8 6.0 25 25 A 3 PHE HA A 4 VAL H 1.0 1.8 6.0 26 26 A 3 PHE HBy A 4 VAL H 1.0 1.8 6.0 27 27 A 3 PHE HBx A 4 VAL H 1.0 1.8 6.0 28 28 A 4 VAL H A 4 VAL HA 1.0 1.8 6.0 29 29 A 4 VAL H A 4 VAL HB 1.0 1.8 6.0 30 30 A 5 PRO HA A 4 VAL HA 1.0 1.8 6.0 31 31 A 5 PRO HD2 A 4 VAL HGx% 1.0 1.8 6.0 32 32 A 5 PRO HA A 5 PRO HB2 1.0 1.8 6.0 33 33 A 5 PRO HA A 5 PRO HG2 1.0 1.8 6.0 34 34 A 5 PRO HB2 A 5 PRO HG2 1.0 1.8 6.0 35 35 A 5 PRO HA A 6 PRO HBy 1.0 1.8 6.0 36 36 A 5 PRO HA A 6 PRO HGx 1.0 1.8 6.0 37 37 A 5 PRO HA A 6 PRO HD2 1.0 1.8 6.0 38 38 A 6 PRO HA A 6 PRO HGy 1.0 1.8 6.0 39 39 A 6 PRO HD2 A 6 PRO HA 1.0 1.8 6.0 40 40 A 6 PRO HA A 6 PRO HBx 1.0 1.8 6.0 41 41 A 6 PRO HBy A 6 PRO HA 1.0 1.8 6.0 42 42 A 6 PRO HGx A 6 PRO HA 1.0 1.8 6.0 43 43 A 2 LEU H A 7 ILE H 1.0 1.8 6.0 44 44 A 2 LEU HBy A 7 ILE H 1.0 1.8 6.0 45 45 A 2 LEU HD1% A 7 ILE H 1.0 1.8 6.0 46 46 A 5 PRO HG2 A 7 ILE H 1.0 1.8 6.0 47 47 A 5 PRO HG2 A 7 ILE HA 1.0 1.8 6.0 48 48 A 6 PRO HA A 7 ILE H 1.0 1.8 6.0 49 49 A 6 PRO HGy A 7 ILE H 1.0 1.8 6.0 50 50 A 7 ILE H A 7 ILE HA 1.0 1.8 6.0 51 51 A 7 ILE H A 7 ILE HB 1.0 1.8 6.0 52 52 A 7 ILE HA A 7 ILE HD1% 1.0 1.8 6.0 53 53 A 7 ILE HA A 7 ILE HB 1.0 1.8 6.0 54 54 A 7 ILE HA A 7 ILE HG1y 1.0 1.8 6.0 55 55 A 7 ILE HB A 7 ILE HG2% 1.0 1.8 6.0 56 56 A 7 ILE HA A 7 ILE HG2% 1.0 1.8 6.0 57 57 A 1 ASP HBx A 8 ASP HA 1.0 1.8 6.0 58 58 A 7 ILE HA A 8 ASP H 1.0 1.8 6.0 59 59 A 7 ILE HB A 8 ASP H 1.0 1.8 6.0 60 60 A 7 ILE HD1% A 8 ASP H 1.0 1.8 6.0 61 61 A 8 ASP HA A 8 ASP H 1.0 1.8 6.0 62 62 A 8 ASP HBx A 8 ASP H 1.0 1.8 6.0 63 63 A 8 ASP H A 8 ASP HBy 1.0 1.8 6.0 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 . . 210 . . . . 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 . . 160 . . . . 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_ save_spectral_peak_list_4 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_4 _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_