data_nef_c30745_6wpd 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 6WPD 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 H1 H 1 9.5985 0.0 A 1 GLY CA C 13 43.577 0.0 A 2 ILE H H 1 9.007 0.0 A 2 ILE HA H 1 4.06891666667 0.0 A 2 ILE HB H 1 1.77233333333 0.0 A 2 ILE HD1% H 1 0.955666666667 0.0 A 2 ILE HG1x H 1 1.207 0.0 A 2 ILE HG2% H 1 1.453 0.0 A 2 ILE CA C 13 58.382 0.0 A 2 ILE CB C 13 40.924 0.0 A 2 ILE CD1 C 13 13.662 0.0 A 2 ILE CG1 C 13 24.272 0.0 A 2 ILE N N 15 119.303 0.0 A 3 LEU H H 1 8.14116666667 0.0 A 3 LEU HA H 1 3.8995 0.0 A 3 LEU HBx H 1 1.743 0.0 A 3 LEU HDx% H 1 0.834 0.0 A 3 LEU HG H 1 0.992333333333 0.0 A 3 LEU CA C 13 55.2 0.0 A 3 LEU CB C 13 43.4475 0.0 A 3 LEU CDx C 13 26.908 0.0 A 3 LEU CG C 13 24.534 0.0 A 3 LEU N N 15 118.553 0.0 A 4 ASP H H 1 7.85175 0.0 A 4 ASP HA H 1 4.31475 0.0 A 4 ASP CA C 13 57.314 0.0 A 4 ASP CB C 13 40.401 0.0 A 4 ASP N N 15 120.688 0.0 A 5 ALA H H 1 7.84425 0.0 A 5 ALA HA H 1 4.20225 0.0 A 5 ALA HB% H 1 1.58275 0.0 A 5 ALA CA C 13 55.159 0.0 A 5 ALA CB C 13 19.178 0.0 A 5 ALA N N 15 120.018 0.0 A 6 ILE H H 1 8.2285 0.0 A 6 ILE HA H 1 3.68114285714 0.0 A 6 ILE HB H 1 2.05483333333 0.0 A 6 ILE HD1% H 1 1.014375 0.0 A 6 ILE HG1x H 1 1.154 0.0 A 6 ILE HG2% H 1 0.92 0.0 A 6 ILE CA C 13 65.363 0.0 A 6 ILE CB C 13 37.549 0.0 A 6 ILE CD1 C 13 13.614 0.0 A 6 ILE CG1 C 13 29.219 0.0 A 6 ILE CG2 C 13 17.501 0.0 A 6 ILE N N 15 117.386 0.0 A 7 LYS H H 1 8.32275 0.0 A 7 LYS HA H 1 3.8738 0.0 A 7 LYS HBx H 1 1.9335 0.0 A 7 LYS HDx H 1 1.6508 0.0 A 7 LYS HEx H 1 1.418 0.0 A 7 LYS HGx H 1 1.40176923077 0.0 A 7 LYS HZ1 H 1 7.57125 0.0 A 7 LYS HZ2 H 1 7.57125 0.0 A 7 LYS HZ3 H 1 7.57125 0.0 A 7 LYS CA C 13 60.753 0.0 A 7 LYS CB C 13 29.819 0.0 A 7 LYS CD C 13 29.23 0.0 A 7 LYS CE C 13 41.965 0.0 A 7 LYS CG C 13 26.204 0.0 A 7 LYS N N 15 117.897 0.0 A 8 ALA H H 1 7.81675 0.0 A 8 ALA HA H 1 4.1625 0.0 A 8 ALA HB% H 1 1.553 0.0 A 8 ALA CA C 13 54.152 0.0 A 8 ALA CB C 13 18.224 0.0 A 8 ALA N N 15 119.44 0.0 A 9 ILE H H 1 8.1484 0.0 A 9 ILE HA H 1 3.75657142857 0.0 A 9 ILE HB H 1 1.9965 0.0 A 9 ILE HD1% H 1 0.883 0.0 A 9 ILE HG1x H 1 0.941 0.0 A 9 ILE HG2% H 1 0.95475 0.0 A 9 ILE CA C 13 64.935 0.0 A 9 ILE CB C 13 38.058 0.0 A 9 ILE CD1 C 13 12.856 0.0 A 9 ILE CG1 C 13 17.761 0.0 A 9 ILE N N 15 117.545 0.0 A 10 ALA H H 1 8.397 0.0 A 10 ALA HA H 1 3.97725 0.0 A 10 ALA HB% H 1 1.47425 0.0 A 10 ALA CA C 13 55.261 0.0 A 10 ALA CB C 13 19.032 0.0 A 10 ALA N N 15 118.493 0.0 A 11 LYS H H 1 8.07 0.0 A 11 LYS HA H 1 4.02758333333 0.0 A 11 LYS HBx H 1 1.93625 0.0 A 11 LYS HGx H 1 1.6195 0.0 A 11 LYS CA C 13 59.002 0.0 A 11 LYS CB C 13 32.5205 0.0 A 11 LYS CG C 13 26.208 0.0 A 11 LYS N N 15 119.236 0.0 A 12 ALA H H 1 7.824 0.0 A 12 ALA HA H 1 4.21025 0.0 A 12 ALA HB% H 1 1.547 0.0 A 12 ALA CA C 13 53.698 0.0 A 12 ALA CB C 13 18.538 0.0 A 12 ALA N N 15 120.286 0.0 A 13 ALA H H 1 8.16025 0.0 A 13 ALA HA H 1 4.1745 0.0 A 13 ALA HB% H 1 1.44725 0.0 A 13 ALA CA C 13 55.186 0.0 A 13 ALA CB C 13 18.516 0.0 A 13 ALA N N 15 119.831 0.0 A 14 GLY HAy H 1 3.898 0.0 A 14 GLY CA C 13 45.038 0.0 A 14 GLY N N 15 111.071 0.0 A 15 NH2 HN1 H 1 7.88075 0.0 stop_ 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 -165.45 -78.69 PHI 2 2 A 2 ILE C A 3 LEU N A 3 LEU CA A 3 LEU C 1.0 -154.89 -34.99 PHI 3 3 A 3 LEU C A 4 ASP N A 4 ASP CA A 4 ASP C 1.0 -64.37 -53.53 PHI 4 4 A 4 ASP C A 5 ALA N A 5 ALA CA A 5 ALA C 1.0 -70.67 -55.61 PHI 5 5 A 5 ALA C A 6 ILE N A 6 ILE CA A 6 ILE C 1.0 -73.14 -60.64 PHI 6 6 A 6 ILE C A 7 LYS N A 7 LYS CA A 7 LYS C 1.0 -69.62 -50.74 PHI 7 7 A 7 LYS C A 8 ALA N A 8 ALA CA A 8 ALA C 1.0 -74.73 -53.37 PHI 8 8 A 8 ALA C A 9 ILE N A 9 ILE CA A 9 ILE C 1.0 -79.23 -50.21 PHI 9 9 A 9 ILE C A 10 ALA N A 10 ALA CA A 10 ALA C 1.0 -74.05 -51.17 PHI 10 10 A 10 ALA C A 11 LYS N A 11 LYS CA A 11 LYS C 1.0 -70.45 -54.97 PHI 11 11 A 11 LYS C A 12 ALA N A 12 ALA CA A 12 ALA C 1.0 -75.88 -53.74 PHI 12 12 A 12 ALA C A 13 ALA N A 13 ALA CA A 13 ALA C 1.0 -86.55 -46.55 PHI 13 13 A 2 ILE N A 2 ILE CA A 2 ILE C A 3 LEU N 1.0 141.31 184.81 PSI 14 14 A 3 LEU N A 3 LEU CA A 3 LEU C A 4 ASP N 1.0 150.46 176.86 PSI 15 15 A 4 ASP N A 4 ASP CA A 4 ASP C A 5 ALA N 1.0 -50.40 -32.86 PSI 16 16 A 5 ALA N A 5 ALA CA A 5 ALA C A 6 ILE N 1.0 -55.99 -27.89 PSI 17 17 A 6 ILE N A 6 ILE CA A 6 ILE C A 7 LYS N 1.0 -50.29 -36.43 PSI 18 18 A 7 LYS N A 7 LYS CA A 7 LYS C A 8 ALA N 1.0 -54.51 -30.25 PSI 19 19 A 8 ALA N A 8 ALA CA A 8 ALA C A 9 ILE N 1.0 -47.87 -29.45 PSI 20 20 A 9 ILE N A 9 ILE CA A 9 ILE C A 10 ALA N 1.0 -57.21 -35.69 PSI 21 21 A 10 ALA N A 10 ALA CA A 10 ALA C A 11 LYS N 1.0 -54.21 -25.87 PSI 22 22 A 11 LYS N A 11 LYS CA A 11 LYS C A 12 ALA N 1.0 -46.11 -29.23 PSI 23 23 A 12 ALA N A 12 ALA CA A 12 ALA C A 13 ALA N 1.0 -63.58 9.26 PSI 24 24 A 13 ALA N A 13 ALA CA A 13 ALA C A 14 GLY N 1.0 -56.61 -16.71 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_