data_nef_c30607_6oqp 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 6OQP 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 5 CYS SG 1 11 CYS SG 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 1 SER start . . 2 A 2 LYS middle . . 3 A 3 TRP middle . . 4 A 4 ILE middle . . 5 A 5 CYS middle -HG . 6 A 6 ALA middle . . 7 A 7 ASN middle . . 8 A 8 ARG middle . . 9 A 9 SER middle . . 10 A 10 VAL middle . . 11 A 11 CYS middle -HG . 12 A 12 PRO middle . false 13 A 13 ILE 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 SER HA H 1 4.123 0.001 A 1 SER HBx H 1 3.879 0.005 A 1 SER HBy H 1 3.879 0.005 A 2 LYS H H 1 8.610 0.004 A 2 LYS HA H 1 4.306 0.003 A 2 LYS HBx H 1 1.661 0.008 A 2 LYS HBy H 1 1.661 0.008 A 2 LYS HDx H 1 1.611 0.000 A 2 LYS HDy H 1 1.611 0.000 A 2 LYS HGx H 1 1.264 0.003 A 2 LYS HGy H 1 1.264 0.003 A 3 TRP H H 1 8.264 0.002 A 3 TRP HA H 1 4.707 0.001 A 3 TRP HBy H 1 3.285 0.002 A 3 TRP HBx H 1 3.191 0.001 A 3 TRP HD1 H 1 7.243 0.001 A 3 TRP HE1 H 1 10.123 0.001 A 3 TRP HE3 H 1 7.629 0.002 A 3 TRP HH2 H 1 7.243 0.002 A 3 TRP HZ2 H 1 7.495 0.000 A 3 TRP HZ3 H 1 7.158 0.000 A 4 ILE H H 1 8.018 0.002 A 4 ILE HA H 1 4.107 0.002 A 4 ILE HB H 1 1.756 0.002 A 4 ILE HD1% H 1 0.818 0.002 A 4 ILE HG1y H 1 1.397 0.003 A 4 ILE HG1x H 1 1.106 0.004 A 5 CYS H H 1 8.257 0.001 A 5 CYS HA H 1 4.507 0.004 A 5 CYS HBy H 1 3.195 0.004 A 5 CYS HBx H 1 2.945 0.002 A 6 ALA H H 1 8.408 0.001 A 6 ALA HA H 1 4.229 0.000 A 6 ALA HB% H 1 1.384 0.002 A 7 ASN H H 1 8.097 0.001 A 7 ASN HA H 1 4.627 0.001 A 7 ASN HBy H 1 2.949 0.004 A 7 ASN HBx H 1 2.817 0.002 A 7 ASN HD2y H 1 7.671 0.000 A 7 ASN HD2x H 1 7.012 0.000 A 8 ARG H H 1 8.429 0.001 A 8 ARG HA H 1 4.197 0.002 A 8 ARG HBy H 1 1.929 0.002 A 8 ARG HBx H 1 1.844 0.004 A 8 ARG HDx H 1 3.200 0.004 A 8 ARG HDy H 1 3.200 0.004 A 8 ARG HE H 1 7.180 0.002 A 8 ARG HGx H 1 1.659 0.011 A 8 ARG HGy H 1 1.659 0.011 A 9 SER H H 1 8.240 0.001 A 9 SER HA H 1 4.384 0.001 A 9 SER HBx H 1 3.916 0.002 A 9 SER HBy H 1 3.916 0.002 A 10 VAL H H 1 7.669 0.003 A 10 VAL HA H 1 4.266 0.001 A 10 VAL HB H 1 2.140 0.000 A 10 VAL HGx% H 1 0.935 0.001 A 10 VAL HGy% H 1 0.935 0.001 A 11 CYS H H 1 8.296 0.001 A 11 CYS HA H 1 5.050 0.002 A 11 CYS HBy H 1 3.179 0.005 A 11 CYS HBx H 1 3.026 0.001 A 12 PRO HA H 1 4.496 0.004 A 12 PRO HBx H 1 2.253 0.003 A 12 PRO HBy H 1 2.253 0.003 A 12 PRO HDx H 1 3.663 0.002 A 12 PRO HDy H 1 3.663 0.002 A 12 PRO HGx H 1 1.942 0.004 A 12 PRO HGy H 1 1.942 0.004 A 13 ILE H H 1 7.926 0.000 A 13 ILE HA H 1 4.130 0.004 A 13 ILE HB H 1 1.837 0.010 A 13 ILE HD1% H 1 0.885 0.004 A 13 ILE HG1y H 1 1.421 0.003 A 13 ILE HG1x H 1 1.149 0.000 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 SER C A 2 LYS N A 2 LYS CA A 2 LYS C 1.0 -90.0 -40.0 PHI 2 2 A 3 TRP C A 4 ILE N A 4 ILE CA A 4 ILE C 1.0 -160.0 -80.0 PHI 3 3 A 5 CYS C A 6 ALA N A 6 ALA CA A 6 ALA C 1.0 -90.0 -40.0 PHI 4 4 A 7 ASN C A 8 ARG N A 8 ARG CA A 8 ARG C 1.0 -90.0 -40.0 PHI 5 5 A 10 VAL C A 11 CYS N A 11 CYS CA A 11 CYS C 1.0 -160.0 -80.0 PHI 6 6 A 12 PRO C A 13 ILE N A 13 ILE CA A 13 ILE C 1.0 -160.0 -80.0 PHI 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 1 _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 2 ppm . . 12.0755 . folded . . stop_ save_