data_nef_c30747_6wpv 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 6WPV 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 1 GLY N 1 8 LEU C 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 cyclic -H2 false 2 A 2 THR middle . . 3 A 3 VAL middle . . 4 A 4 ALA middle . . 5 A 5 VAL middle . . 6 A 6 GLN middle . . 7 A 7 PHE middle . . 8 A 8 LEU cyclic -OXT . 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 8.119 0.000 A 1 GLY HAx H 1 3.842 0.000 A 1 GLY HAy H 1 4.096 0.000 A 1 GLY CA C 13 45.643 0.000 A 2 THR H H 1 7.535 0.000 A 2 THR HA H 1 4.718 0.000 A 2 THR HB H 1 4.522 0.000 A 2 THR HG2% H 1 1.060 0.000 A 2 THR CB C 13 71.624 0.000 A 2 THR CG2 C 13 21.417 0.000 A 3 VAL H H 1 8.247 0.001 A 3 VAL HA H 1 3.706 0.000 A 3 VAL HB H 1 2.006 0.000 A 3 VAL HGy% H 1 0.932 0.000 A 3 VAL CA C 13 64.980 0.000 A 3 VAL CB C 13 31.535 0.000 A 3 VAL CGy C 13 21.487 0.000 A 3 VAL CGx C 13 20.811 0.000 A 4 ALA H H 1 7.858 0.000 A 4 ALA HA H 1 4.219 0.000 A 4 ALA HB% H 1 1.382 0.000 A 4 ALA CA C 13 53.580 0.000 A 4 ALA CB C 13 19.646 0.000 A 5 VAL H H 1 7.605 0.000 A 5 VAL HA H 1 4.092 0.000 A 5 VAL HB H 1 1.969 0.000 A 5 VAL HGy% H 1 0.697 0.000 A 5 VAL CA C 13 60.994 0.000 A 5 VAL CB C 13 32.747 0.000 A 5 VAL CGx C 13 19.949 0.000 A 5 VAL CGy C 13 22.303 0.000 A 6 GLN H H 1 8.831 0.000 A 6 GLN HA H 1 4.168 0.000 A 6 GLN HBx H 1 2.061 0.000 A 6 GLN HBy H 1 2.061 0.000 A 6 GLN HGy H 1 2.399 0.000 A 6 GLN HGx H 1 2.315 0.000 A 6 GLN CA C 13 59.712 0.000 A 6 GLN CB C 13 27.898 0.000 A 6 GLN CG C 13 33.633 0.000 A 7 PHE H H 1 8.319 0.000 A 7 PHE HA H 1 4.506 0.000 A 7 PHE HBy H 1 3.304 0.000 A 7 PHE HBx H 1 2.969 0.000 A 7 PHE HDx H 1 7.225 0.000 A 7 PHE HDy H 1 7.225 0.000 A 7 PHE HEx H 1 7.351 0.000 A 7 PHE HEy H 1 7.351 0.000 A 7 PHE CA C 13 59.362 0.000 A 7 PHE CB C 13 38.319 0.000 A 8 LEU H H 1 7.288 0.000 A 8 LEU HA H 1 4.413 0.000 A 8 LEU HBy H 1 1.696 0.000 A 8 LEU HBx H 1 1.611 0.000 A 8 LEU HG H 1 1.283 0.000 A 8 LEU CA C 13 54.070 0.000 A 8 LEU CG C 13 26.313 0.000 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _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 8 LEU H A 8 LEU HG 1.0 1.8 4.50 2 2 A 5 VAL H A 5 VAL HB 1.0 1.8 3.10 3 3 A 5 VAL H A 5 VAL HG11 1.0 1.8 4.30 4 4 A 5 VAL H A 5 VAL HGy% 1.0 1.8 4.30 5 5 A 3 VAL H A 3 VAL HB 1.0 1.8 3.29 6 6 A 4 ALA H A 4 ALA HB% 1.0 1.8 4.07 7 7 A 2 THR H A 2 THR HB 1.0 1.8 4.11 8 8 A 2 THR H A 2 THR HG2% 1.0 1.8 3.62 9 9 A 3 VAL H A 2 THR HB 1.0 1.8 2.87 10 10 A 8 LEU H A 7 PHE HBy 1.0 1.8 4.92 11 11 A 8 LEU H A 7 PHE HBx 1.0 1.8 4.92 12 12 A 8 LEU H A 5 VAL HB 1.0 1.8 4.36 13 13 A 5 VAL H A 4 ALA HB% 1.0 1.8 3.62 14 14 A 6 GLN H A 6 GLN HGy 1.0 1.8 5.50 15 15 A 6 GLN H A 6 GLN HGx 1.0 1.8 5.50 16 16 A 8 LEU H A 5 VAL HGy% 1.0 1.8 5.50 17 17 A 4 ALA H A 2 THR HG2% 1.0 1.8 4.99 18 18 A 3 VAL H A 2 THR HG2% 1.0 1.8 4.08 19 19 A 3 VAL H A 4 ALA HB% 1.0 1.8 4.82 20 20 A 3 VAL HB A 4 ALA H 1.0 1.8 3.43 21 21 A 4 ALA H A 2 THR HB 1.0 1.8 3.59 22 22 A 5 VAL H A 2 THR HB 1.0 1.8 4.75 23 23 A 5 VAL HB A 2 THR H 1.0 1.8 4.65 24 24 A 2 THR H A 8 LEU HBx 1.0 1.8 5.50 25 25 A 2 THR H A 8 LEU HBy 1.0 1.8 5.50 26 26 A 5 VAL H A 2 THR HG2% 1.0 1.8 4.82 27 27 A 7 PHE HD% A 8 LEU HD11 1.0 1.8 3.76 28 27 A 8 LEU HD21 A 7 PHE HD% 1.0 1.8 3.76 29 28 A 7 PHE HD% A 5 VAL HG11 1.0 1.8 4.92 30 29 A 7 PHE HD% A 5 VAL HGy% 1.0 1.8 4.92 31 30 A 7 PHE HZ A 8 LEU HD11 1.0 1.8 4.43 32 30 A 8 LEU HD21 A 7 PHE HZ 1.0 1.8 4.43 33 31 A 8 LEU H A 8 LEU HD11 1.0 1.8 4.62 34 31 A 8 LEU H A 8 LEU HD21 1.0 1.8 4.62 35 32 A 8 LEU H A 5 VAL HG11 1.0 1.8 5.50 36 33 A 7 PHE HE% A 8 LEU HD11 1.0 1.8 3.42 37 33 A 8 LEU HD21 A 7 PHE HE% 1.0 1.8 3.42 38 34 A 7 PHE HE% A 5 VAL HGy% 1.0 1.8 5.35 39 35 A 7 PHE HA A 7 PHE HD% 1.0 1.8 5.50 40 36 A 2 THR H A 8 LEU HD11 1.0 1.8 4.97 41 36 A 2 THR H A 8 LEU HD21 1.0 1.8 4.97 42 37 A 7 PHE HE% A 5 VAL HG11 1.0 1.8 5.35 43 38 A 2 THR HG2% A 2 THR HA 1.0 1.8 3.69 44 39 A 3 VAL HA A 3 VAL HG11 1.0 1.8 3.71 45 40 A 3 VAL HA A 3 VAL HGy% 1.0 1.8 3.71 46 41 A 5 VAL HA A 5 VAL HG11 1.0 1.8 3.65 47 42 A 5 VAL HA A 5 VAL HGy% 1.0 1.8 3.65 48 43 A 8 LEU HG A 8 LEU HA 1.0 1.8 4.17 49 44 A 8 LEU HA A 8 LEU HD11 1.0 1.8 2.97 50 44 A 8 LEU HD21 A 8 LEU HA 1.0 1.8 2.97 51 45 A 5 VAL H A 4 ALA H 1.0 1.8 3.19 52 46 A 3 VAL H A 4 ALA H 1.0 1.8 3.88 53 47 A 4 ALA H A 2 THR HG1 1.0 1.8 3.26 54 48 A 3 VAL H A 2 THR HG1 1.0 1.8 4.65 55 49 A 2 THR H A 5 VAL HG11 1.0 1.8 5.44 56 49 A 2 THR H A 5 VAL HGy% 1.0 1.8 5.44 57 50 A 2 THR H A 8 LEU HBx 1.0 1.8 4.83 58 50 A 2 THR H A 8 LEU HBy 1.0 1.8 4.83 59 51 A 3 VAL H A 3 VAL HG11 1.0 1.8 3.87 60 51 A 3 VAL H A 3 VAL HGy% 1.0 1.8 3.87 61 52 A 4 ALA H A 3 VAL HG11 1.0 1.8 4.49 62 52 A 4 ALA H A 3 VAL HGy% 1.0 1.8 4.49 63 53 A 4 ALA H A 5 VAL HG11 1.0 1.8 4.86 64 53 A 4 ALA H A 5 VAL HGy% 1.0 1.8 4.86 65 54 A 5 VAL H A 5 VAL HG11 1.0 1.8 3.57 66 54 A 5 VAL H A 5 VAL HGy% 1.0 1.8 3.57 67 55 A 5 VAL HA A 5 VAL HG11 1.0 1.8 2.84 68 55 A 5 VAL HA A 5 VAL HGy% 1.0 1.8 2.84 69 56 A 7 PHE HD% A 5 VAL HG11 1.0 1.8 3.94 70 56 A 7 PHE HD% A 5 VAL HGy% 1.0 1.8 3.94 71 57 A 7 PHE HE% A 5 VAL HG11 1.0 1.8 4.01 72 57 A 7 PHE HE% A 5 VAL HGy% 1.0 1.8 4.01 73 58 A 7 PHE HZ A 5 VAL HG11 1.0 1.8 5.44 74 58 A 7 PHE HZ A 5 VAL HGy% 1.0 1.8 5.44 75 59 A 8 LEU H A 5 VAL HG11 1.0 1.8 4.08 76 59 A 8 LEU H A 5 VAL HGy% 1.0 1.8 4.08 77 60 A 8 LEU H A 7 PHE HBx 1.0 1.8 4.17 78 60 A 8 LEU H A 7 PHE HBy 1.0 1.8 4.17 79 61 A 8 LEU H A 8 LEU HBx 1.0 1.8 3.23 80 61 A 8 LEU H A 8 LEU HBy 1.0 1.8 3.23 81 62 A 8 LEU HG A 8 LEU HBx 1.0 1.8 2.45 82 62 A 8 LEU HG A 8 LEU HBy 1.0 1.8 2.45 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin hbond _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 6 GLN O A 1 GLY N 1.0 0.0 3.3 2 2 A 2 THR H A 5 VAL O 1.0 0.0 2.3 3 3 A 5 VAL O A 2 THR N 1.0 0.0 3.3 4 4 A 5 VAL H A 2 THR OG1 1.0 0.0 2.3 5 5 A 2 THR OG1 A 5 VAL N 1.0 0.0 3.3 6 6 A 8 LEU H A 5 VAL O 1.0 0.0 2.3 7 7 A 5 VAL O A 8 LEU N 1.0 0.0 3.3 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 8 LEU C A 1 GLY N A 1 GLY CA A 1 GLY C 1.0 36.0 124.8 . 2 2 A 1 GLY N A 1 GLY CA A 1 GLY C A 2 THR N 1.0 -53.7 73.3 PSI 3 3 A 1 GLY C A 2 THR N A 2 THR CA A 2 THR C 1.0 -165.7 -97.1 PHI 4 4 A 2 THR N A 2 THR CA A 2 THR C A 3 VAL N 1.0 125.6 188.4 PSI 5 5 A 2 THR C A 3 VAL N A 3 VAL CA A 3 VAL C 1.0 -85.6 -45.6 PHI 6 6 A 3 VAL N A 3 VAL CA A 3 VAL C A 4 ALA N 1.0 -46.3 -6.3 PSI 7 7 A 3 VAL C A 4 ALA N A 4 ALA CA A 4 ALA C 1.0 -94.4 -54.4 PHI 8 8 A 4 ALA N A 4 ALA CA A 4 ALA C A 5 VAL N 1.0 -39.4 0.6 PSI 9 9 A 5 VAL C A 6 GLN N A 6 GLN CA A 6 GLN C 1.0 -83.2 -43.2 PHI 10 10 A 6 GLN N A 6 GLN CA A 6 GLN C A 7 PHE N 1.0 -50.5 -10.5 PSI 11 11 A 6 GLN C A 7 PHE N A 7 PHE CA A 7 PHE C 1.0 -83.7 -43.7 PHI 12 12 A 7 PHE N A 7 PHE CA A 7 PHE C A 8 LEU N 1.0 -43.3 -3.3 PSI 13 13 A 7 PHE C A 8 LEU N A 8 LEU CA A 8 LEU C 1.0 -134.8 -56.2 PHI 14 14 A 8 LEU N A 8 LEU CA A 8 LEU C A 1 GLY N 1.0 -43.1 40.9 . 15 15 A 8 LEU N A 8 LEU CA A 8 LEU CB A 8 LEU CG 1.0 120.0 240.0 CHI1 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 . . 11.9967 . . . . 2 ppm . . 11.9967 . . . . stop_ save_