data_nef_c30744_6wpb 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 6WPB 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 14 GLY C 1 15 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 1 GLY start . false 2 A 2 ILE middle . . 3 A 3 LEU middle . . 4 A 4 ASP middle . . 5 A 5 ALA middle . . 6 A 6 ILE middle . . 7 A 7 LYS middle . . 8 A 8 ALA middle . . 9 A 9 ILE middle . . 10 A 10 ALA middle . . 11 A 11 LYS middle . . 12 A 12 ALA middle . . 13 A 13 ALA middle . . 14 A 14 GLY middle -OXT false 15 A 15 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 1 GLY HAx H 1 3.994 0.0 A 1 GLY CA C 13 43.871 0.0 A 2 ILE H H 1 8.76425 0.0 A 2 ILE HA H 1 3.9145 0.0 A 2 ILE HB H 1 1.8905 0.0 A 2 ILE HD1% H 1 0.9635 0.0 A 2 ILE HG1x H 1 1.307 0.0 A 2 ILE CA C 13 64.393 0.0 A 2 ILE CB C 13 38.464 0.0 A 2 ILE CD1 C 13 13.983 0.0 A 2 ILE CG2 C 13 17.885 0.0 A 2 ILE N N 15 119.835 0.0 A 3 LEU H H 1 8.062375 0.0 A 3 LEU HA H 1 4.07036363636 0.0 A 3 LEU HBx H 1 1.71725 0.0 A 3 LEU HDx% H 1 0.94075 0.0 A 3 LEU HDy% H 1 0.921 0.0 A 3 LEU HG H 1 1.346875 0.0 A 3 LEU CA C 13 58.396 0.0 A 3 LEU CB C 13 40.9465 0.0 A 3 LEU CDy C 13 24.624 0.0 A 3 LEU CDx C 13 24.197 0.0 A 3 LEU CG C 13 27.459 0.0 A 3 LEU N N 15 118.913 0.0 A 4 ASP H H 1 7.7815 0.0 A 4 ASP HA H 1 4.317 0.0 A 4 ASP CA C 13 56.611 0.0 A 4 ASP CB C 13 38.477 0.0 A 4 ASP N N 15 120.172 0.0 A 5 ALA H H 1 7.84275 0.0 A 5 ALA HA H 1 4.1915 0.0 A 5 ALA HB% H 1 1.51225 0.0 A 5 ALA CA C 13 53.573 0.0 A 5 ALA CB C 13 18.699 0.0 A 5 ALA N N 15 120.979 0.0 A 6 ILE H H 1 8.177 0.0 A 6 ILE HA H 1 3.65271428571 0.0 A 6 ILE HB H 1 2.00816666667 0.0 A 6 ILE HD1% H 1 1.357 0.0 A 6 ILE HG1x H 1 1.114 0.0 A 6 ILE HG2% H 1 0.971375 0.0 A 6 ILE CA C 13 65.341 0.0 A 6 ILE CB C 13 37.857 0.0 A 6 ILE CD1 C 13 13.692 0.0 A 6 ILE CG1 C 13 29.222 0.0 A 6 ILE CG2 C 13 17.641 0.0 A 6 ILE N N 15 117.946 0.0 A 7 LYS H H 1 8.20175 0.0 A 7 LYS HA H 1 3.849375 0.0 A 7 LYS HBx H 1 1.8235 0.0 A 7 LYS HDx H 1 1.8905 0.0 A 7 LYS HEx H 1 1.314 0.0 A 7 LYS HGx H 1 1.6597 0.0 A 7 LYS HZ1 H 1 7.444 0.0 A 7 LYS HZ2 H 1 7.444 0.0 A 7 LYS HZ3 H 1 7.444 0.0 A 7 LYS CA C 13 60.496 0.0 A 7 LYS CB C 13 32.402 0.0 A 7 LYS CD C 13 27.423 0.0 A 7 LYS CE C 13 42.206 0.0 A 7 LYS CG C 13 26.19 0.0 A 7 LYS N N 15 119.3045 0.0 A 8 ALA H H 1 7.7475 0.0 A 8 ALA HA H 1 4.10425 0.0 A 8 ALA HB% H 1 1.5385 0.0 A 8 ALA CA C 13 55.142 0.0 A 8 ALA CB C 13 18.267 0.0 A 8 ALA N N 15 119.284 0.0 A 9 ILE H H 1 8.08633333333 0.0 A 9 ILE HA H 1 3.74185714286 0.0 A 9 ILE HB H 1 1.8718 0.0 A 9 ILE HD1% H 1 0.876 0.0 A 9 ILE HG1x H 1 0.9135 0.0 A 9 ILE CA C 13 64.761 0.0 A 9 ILE CB C 13 38.317 0.0 A 9 ILE CD1 C 13 13.025 0.0 A 9 ILE N N 15 117.189 0.0 A 10 ALA H H 1 8.37325 0.0 A 10 ALA HA H 1 3.964 0.0 A 10 ALA HB% H 1 1.4555 0.0 A 10 ALA CA C 13 55.231 0.0 A 10 ALA CB C 13 18.897 0.0 A 10 ALA N N 15 120.042 0.0 A 11 LYS H H 1 7.9466 0.0 A 11 LYS HA H 1 4.01636363636 0.0 A 11 LYS HBx H 1 1.913 0.0 A 11 LYS HGx H 1 1.50466666667 0.0 A 11 LYS HZ1 H 1 7.522 0.0 A 11 LYS HZ2 H 1 7.522 0.0 A 11 LYS HZ3 H 1 7.522 0.0 A 11 LYS CA C 13 58.684 0.0 A 11 LYS CB C 13 29.129 0.0 A 11 LYS CD C 13 26.178 0.0 A 11 LYS CG C 13 25.1565 0.0 A 11 LYS N N 15 119.038 0.0 A 11 LYS NZ N 15 120.641 0.0 A 12 ALA H H 1 7.80375 0.0 A 12 ALA HA H 1 4.1755 0.0 A 12 ALA HB% H 1 1.49475 0.0 A 12 ALA CA C 13 54.035 0.0 A 12 ALA CB C 13 18.593 0.0 A 12 ALA N N 15 117.36 0.0 A 13 ALA H H 1 8.051 0.0 A 13 ALA HA H 1 4.22775 0.0 A 13 ALA HB% H 1 1.41125 0.0 A 13 ALA CA C 13 55.316 0.0 A 13 ALA CB C 13 19.104 0.0 A 13 ALA N N 15 119.217 0.0 A 14 GLY HAx H 1 3.888 0.0 A 14 GLY CA C 13 45.343 0.0 A 14 GLY N N 15 111.991 0.0 A 15 NH2 HN1 H 1 7.9265 0.0 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.restraint_origin noe save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 _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 GLY C A 2 ILE N A 2 ILE CA A 2 ILE C 1.0 -72.56 -40.60 PHI 2 2 A 2 ILE C A 3 LEU N A 3 LEU CA A 3 LEU C 1.0 -72.36 -57.12 PHI 3 3 A 3 LEU C A 4 ASP N A 4 ASP CA A 4 ASP C 1.0 -77.91 -53.43 PHI 4 4 A 4 ASP C A 5 ALA N A 5 ALA CA A 5 ALA C 1.0 -89.68 -49.10 PHI 5 5 A 5 ALA C A 6 ILE N A 6 ILE CA A 6 ILE C 1.0 -72.70 -55.28 PHI 6 6 A 6 ILE C A 7 LYS N A 7 LYS CA A 7 LYS C 1.0 -70.07 -49.97 PHI 7 7 A 7 LYS C A 8 ALA N A 8 ALA CA A 8 ALA C 1.0 -67.28 -58.10 PHI 8 8 A 8 ALA C A 9 ILE N A 9 ILE CA A 9 ILE C 1.0 -74.99 -54.49 PHI 9 9 A 9 ILE C A 10 ALA N A 10 ALA CA A 10 ALA C 1.0 -71.04 -52.54 PHI 10 10 A 10 ALA C A 11 LYS N A 11 LYS CA A 11 LYS C 1.0 -68.31 -58.01 PHI 11 11 A 11 LYS C A 12 ALA N A 12 ALA CA A 12 ALA C 1.0 -76.35 -53.51 PHI 12 12 A 12 ALA C A 13 ALA N A 13 ALA CA A 13 ALA C 1.0 -78.76 -55.62 PHI 13 13 A 2 ILE N A 2 ILE CA A 2 ILE C A 3 LEU N 1.0 -58.10 -24.36 PSI 14 14 A 3 LEU N A 3 LEU CA A 3 LEU C A 4 ASP N 1.0 -53.28 -26.26 PSI 15 15 A 4 ASP N A 4 ASP CA A 4 ASP C A 5 ALA N 1.0 -53.38 -28.94 PSI 16 16 A 5 ALA N A 5 ALA CA A 5 ALA C A 6 ILE N 1.0 -54.00 -27.94 PSI 17 17 A 6 ILE N A 6 ILE CA A 6 ILE C A 7 LYS N 1.0 -53.98 -33.18 PSI 18 18 A 7 LYS N A 7 LYS CA A 7 LYS C A 8 ALA N 1.0 -53.00 -29.80 PSI 19 19 A 8 ALA N A 8 ALA CA A 8 ALA C A 9 ILE N 1.0 -45.52 -32.08 PSI 20 20 A 9 ILE N A 9 ILE CA A 9 ILE C A 10 ALA N 1.0 -53.91 -34.63 PSI 21 21 A 10 ALA N A 10 ALA CA A 10 ALA C A 11 LYS N 1.0 -51.09 -30.27 PSI 22 22 A 11 LYS N A 11 LYS CA A 11 LYS C A 12 ALA N 1.0 -46.22 -24.78 PSI 23 23 A 12 ALA N A 12 ALA CA A 12 ALA C A 13 ALA N 1.0 -64.71 13.71 PSI 24 24 A 13 ALA N A 13 ALA CA A 13 ALA C A 14 GLY N 1.0 -50.33 -25.19 PSI 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 Hz . . 6900 . . . . 2 Hz . . 6900 . . . . stop_ save_