data_nef_c30566_6nug 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 6NUG 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 CYS SG 1 13 CYS SG 1 7 CYS SG 1 23 CYS SG 1 14 CYS SG 1 24 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 CYS start -HG . 2 A 2 ASP middle . . 3 A 3 MET middle . . 4 A 4 GLU middle . . 5 A 5 VAL middle . . 6 A 6 SER middle . . 7 A 7 CYS middle -HG . 8 A 8 PRO middle . false 9 A 9 ASP middle . . 10 A 10 GLY middle . false 11 A 11 TYR middle . . 12 A 12 THR middle . . 13 A 13 CYS middle -HG . 14 A 14 CYS middle -HG . 15 A 15 ARG middle . . 16 A 16 LEU middle . . 17 A 17 GLN middle . . 18 A 18 SER middle . . 19 A 19 GLY middle . false 20 A 20 ALA middle . . 21 A 21 TRP middle . . 22 A 22 GLY middle . false 23 A 23 CYS middle -HG . 24 A 24 CYS end -HG . 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 2 ASP H H 1 6.877 0.001 A 2 ASP HA H 1 4.409 0.002 A 2 ASP HBy H 1 2.541 0.000 A 2 ASP HBx H 1 2.356 0.000 A 3 MET H H 1 7.957 0.003 A 3 MET HA H 1 4.266 0.000 A 3 MET HBx H 1 1.846 0.000 A 3 MET HBy H 1 1.846 0.000 A 3 MET HGx H 1 2.397 0.000 A 3 MET HGy H 1 2.397 0.000 A 4 GLU H H 1 8.479 0.001 A 4 GLU HA H 1 4.170 0.000 A 4 GLU HBx H 1 1.973 0.000 A 4 GLU HBy H 1 2.076 0.000 A 4 GLU HGx H 1 2.328 0.000 A 4 GLU HGy H 1 2.328 0.000 A 5 VAL H H 1 7.595 0.002 A 5 VAL HA H 1 4.101 0.000 A 5 VAL HB H 1 1.939 0.000 A 5 VAL HGx% H 1 0.896 0.000 A 5 VAL HGy% H 1 0.858 0.000 A 6 SER H H 1 8.443 0.020 A 6 SER HA H 1 4.548 0.000 A 6 SER HBx H 1 3.727 0.000 A 6 SER HBy H 1 3.812 0.000 A 7 CYS H H 1 8.743 0.000 A 7 CYS HA H 1 5.195 0.002 A 7 CYS HBx H 1 2.595 0.000 A 7 CYS HBy H 1 2.838 0.000 A 8 PRO HA H 1 4.566 0.001 A 8 PRO HBy H 1 2.375 0.000 A 8 PRO HBx H 1 1.980 0.003 A 8 PRO HDx H 1 3.218 0.001 A 8 PRO HDy H 1 3.868 0.000 A 8 PRO HGy H 1 1.876 0.000 A 8 PRO HGx H 1 1.769 0.004 A 9 ASP H H 1 8.494 0.000 A 9 ASP HA H 1 4.454 0.000 A 9 ASP HBx H 1 2.710 0.000 A 9 ASP HBy H 1 2.710 0.000 A 10 GLY H H 1 8.825 0.000 A 10 GLY HAy H 1 4.171 0.000 A 10 GLY HAx H 1 3.520 0.000 A 11 TYR H H 1 8.210 0.001 A 11 TYR HA H 1 4.953 0.000 A 11 TYR HBx H 1 2.889 0.004 A 11 TYR HBy H 1 2.972 0.005 A 11 TYR HDx H 1 6.882 0.002 A 11 TYR HDy H 1 6.882 0.002 A 11 TYR HEx H 1 6.793 0.003 A 11 TYR HEy H 1 6.793 0.003 A 12 THR H H 1 9.527 0.001 A 12 THR HA H 1 4.693 0.000 A 12 THR HB H 1 4.045 0.000 A 12 THR HG2% H 1 1.286 0.000 A 13 CYS H H 1 8.904 0.000 A 13 CYS HA H 1 5.312 0.000 A 13 CYS HBx H 1 3.286 0.000 A 13 CYS HBy H 1 3.286 0.000 A 14 CYS H H 1 9.378 0.001 A 14 CYS HA H 1 5.179 0.000 A 14 CYS HBx H 1 3.108 0.000 A 14 CYS HBy H 1 3.461 0.000 A 15 ARG H H 1 8.728 0.001 A 15 ARG HA H 1 3.899 0.001 A 15 ARG HBy H 1 1.343 0.000 A 15 ARG HBx H 1 0.950 0.000 A 15 ARG HGx H 1 0.685 0.000 A 15 ARG HGy H 1 0.685 0.000 A 16 LEU H H 1 8.828 0.002 A 16 LEU HA H 1 4.379 0.000 A 16 LEU HBx H 1 1.714 0.000 A 16 LEU HBy H 1 1.714 0.000 A 16 LEU HDx% H 1 0.840 0.004 A 16 LEU HDy% H 1 0.840 0.004 A 16 LEU HG H 1 1.577 0.000 A 17 GLN H H 1 9.005 0.001 A 17 GLN HA H 1 3.948 0.000 A 17 GLN HBx H 1 2.091 0.000 A 17 GLN HBy H 1 2.091 0.000 A 17 GLN HGx H 1 2.454 0.000 A 17 GLN HGy H 1 2.454 0.000 A 18 SER H H 1 7.747 0.003 A 18 SER HA H 1 4.215 0.000 A 18 SER HBy H 1 4.050 0.000 A 18 SER HBx H 1 3.882 0.000 A 19 GLY H H 1 8.056 0.003 A 19 GLY HAy H 1 4.403 0.000 A 19 GLY HAx H 1 3.342 0.000 A 20 ALA H H 1 7.319 0.001 A 20 ALA HA H 1 4.361 0.000 A 20 ALA HB% H 1 1.343 0.000 A 21 TRP H H 1 8.477 0.001 A 21 TRP HA H 1 5.009 0.001 A 21 TRP HBy H 1 3.259 0.001 A 21 TRP HBx H 1 3.023 0.001 A 21 TRP HD1 H 1 7.367 0.000 A 21 TRP HE1 H 1 10.277 0.002 A 21 TRP HE3 H 1 7.566 0.004 A 21 TRP HH2 H 1 7.233 0.000 A 21 TRP HZ2 H 1 7.506 0.002 A 21 TRP HZ3 H 1 6.986 0.000 A 22 GLY H H 1 9.375 0.001 A 22 GLY HAx H 1 3.780 0.000 A 22 GLY HAy H 1 4.483 0.000 A 23 CYS H H 1 8.572 0.000 A 23 CYS HA H 1 5.482 0.001 A 23 CYS HBx H 1 2.729 0.000 A 23 CYS HBy H 1 2.729 0.000 A 24 CYS H H 1 9.750 0.001 A 24 CYS HA H 1 4.868 0.000 A 24 CYS HBx H 1 2.995 0.000 A 24 CYS HBy H 1 3.121 0.000 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 hbond _nef_distance_restraint_list.potential_type upper-bound-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 22 GLY O A 14 CYS H 1.0 . 2.2 2 2 A 22 GLY O A 14 CYS N 1.0 . 3.2 3 3 A 12 THR O A 24 CYS H 1.0 . 2.2 4 4 A 12 THR O A 24 CYS N 1.0 . 3.2 5 5 A 16 LEU H A 20 ALA O 1.0 . 2.2 6 6 A 20 ALA O A 16 LEU N 1.0 . 3.2 7 7 A 19 GLY H A 16 LEU O 1.0 . 2.2 8 8 A 16 LEU O A 19 GLY N 1.0 . 3.2 9 9 A 2 ASP H A 5 VAL O 1.0 . 2.2 10 10 A 5 VAL O A 2 ASP N 1.0 . 3.2 stop_ save_ save_DYANA/DIANA_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_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 3 MET N A 3 MET CA A 3 MET C A 4 GLU N 1.0 -70.0 10.0 PSI 2 2 A 5 VAL N A 5 VAL CA A 5 VAL C A 6 SER N 1.0 90.0 180.0 PSI 3 3 A 8 PRO N A 8 PRO CA A 8 PRO C A 9 ASP N 1.0 -50.0 0.0 PSI 4 4 A 9 ASP N A 9 ASP CA A 9 ASP C A 10 GLY N 1.0 -30.0 30.0 PSI 5 5 A 9 ASP C A 10 GLY N A 10 GLY CA A 10 GLY C 1.0 50.0 110.0 PHI 6 6 A 10 GLY N A 10 GLY CA A 10 GLY C A 11 TYR N 1.0 -30.0 40.0 PSI 7 7 A 11 TYR N A 11 TYR CA A 11 TYR C A 12 THR N 1.0 100.0 180.0 PSI 8 8 A 12 THR N A 12 THR CA A 12 THR C A 13 CYS N 1.0 100.0 180.0 PSI 9 9 A 12 THR C A 13 CYS N A 13 CYS CA A 13 CYS C 1.0 -180.0 -80.0 PHI 10 10 A 13 CYS N A 13 CYS CA A 13 CYS C A 14 CYS N 1.0 100.0 180.0 PSI 11 11 A 14 CYS N A 14 CYS CA A 14 CYS C A 15 ARG N 1.0 100.0 180.0 PSI 12 12 A 17 GLN N A 17 GLN CA A 17 GLN C A 18 SER N 1.0 -70.0 0.0 PSI 13 13 A 18 SER C A 19 GLY N A 19 GLY CA A 19 GLY C 1.0 50.0 120.0 PHI 14 14 A 19 GLY N A 19 GLY CA A 19 GLY C A 20 ALA N 1.0 -30.0 50.0 PSI 15 15 A 20 ALA C A 21 TRP N A 21 TRP CA A 21 TRP C 1.0 -150.0 -90.0 PHI 16 16 A 23 CYS C A 24 CYS N A 24 CYS CA A 24 CYS C 1.0 -150.0 -90.0 PHI 17 17 A 11 TYR C A 12 THR N A 12 THR CA A 12 THR C 1.0 -150.0 -90.0 PHI 18 18 A 13 CYS C A 14 CYS N A 14 CYS CA A 14 CYS C 1.0 -150.0 -90.0 PHI 19 19 A 16 LEU C A 17 GLN N A 17 GLN CA A 17 GLN C 1.0 -80.0 -40.0 PHI 20 20 A 22 GLY C A 23 CYS N A 23 CYS CA A 23 CYS C 1.0 -150.0 -90.0 PHI 21 21 A 8 PRO C A 9 ASP N A 9 ASP CA A 9 ASP C 1.0 -90.0 -30.0 PHI 22 22 A 10 GLY C A 11 TYR N A 11 TYR CA A 11 TYR C 1.0 -150.0 -90.0 PHI 23 23 A 1 CYS C A 2 ASP N A 2 ASP CA A 2 ASP C 1.0 -180.0 -20.0 PHI 24 24 A 2 ASP C A 3 MET N A 3 MET CA A 3 MET C 1.0 -80.0 -40.0 PHI 25 25 A 3 MET C A 4 GLU N A 4 GLU CA A 4 GLU C 1.0 -180.0 -20.0 PHI 26 26 A 17 GLN C A 18 SER N A 18 SER CA A 18 SER C 1.0 -90.0 -30.0 PHI 27 27 A 17 GLN C A 18 SER N A 18 SER CA A 18 SER C 1.0 -80.0 -40.0 PHI 28 28 A 4 GLU C A 5 VAL N A 5 VAL CA A 5 VAL C 1.0 -150.0 -90.0 PHI 29 29 A 6 SER C A 7 CYS N A 7 CYS CA A 7 CYS C 1.0 -150.0 -90.0 PHI 30 30 A 5 VAL C A 6 SER N A 6 SER CA A 6 SER C 1.0 -150.0 -90.0 PHI 31 31 A 14 CYS C A 15 ARG N A 15 ARG CA A 15 ARG C 1.0 -150.0 -90.0 PHI 32 32 A 15 ARG C A 16 LEU N A 16 LEU CA A 16 LEU C 1.0 -150.0 -90.0 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 . . 11.98 . aliased . . stop_ save_