data_nef_c30232_6e1l 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 BMRB 30233 PDB 5UJG 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 14 CYS SG 1 8 CYS SG 1 23 CYS SG 1 15 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 ALA middle . . 3 A 3 ASP middle . . 4 A 4 ALA middle . . 5 A 5 VAL middle . . 6 A 6 TYR middle . . 7 A 7 THR middle . . 8 A 8 CYS middle -HG . 9 A 9 ARG middle . . 10 A 10 ALA middle . . 11 A 11 GLY middle . false 12 A 12 GLN middle . . 13 A 13 THR middle . . 14 A 14 CYS middle -HG . 15 A 15 CYS middle -HG . 16 A 16 ARG middle . . 17 A 17 GLY middle . false 18 A 18 LEU middle . . 19 A 19 HIS middle . . 20 A 20 GLY middle . false 21 A 21 TYR 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 3 ASP H H 1 7.129 0.001 A 3 ASP HA H 1 5.029 0.000 A 3 ASP HBy H 1 2.850 0.001 A 3 ASP HBx H 1 2.605 0.000 A 3 ASP CB C 13 40.241 0.000 A 4 PRO HA H 1 4.415 0.000 A 4 PRO HBy H 1 2.242 0.003 A 4 PRO HBx H 1 1.931 0.000 A 4 PRO HDx H 1 3.885 0.005 A 4 PRO HDy H 1 3.885 0.005 A 4 PRO HGx H 1 2.016 0.000 A 4 PRO HGy H 1 2.016 0.000 A 4 PRO CD C 13 48.287 0.000 A 5 VAL H H 1 7.491 0.000 A 5 VAL HA H 1 3.872 0.002 A 5 VAL HB H 1 1.875 0.008 A 5 VAL HGx% H 1 0.619 0.001 A 5 VAL HGy% H 1 0.764 0.000 A 5 VAL CA C 13 60.731 0.000 A 5 VAL CB C 13 29.282 0.000 A 5 VAL CGx C 13 18.215 0.012 A 5 VAL CGy C 13 18.215 0.012 A 6 TYR H H 1 7.649 0.001 A 6 TYR HA H 1 4.629 0.011 A 6 TYR HBx H 1 2.713 0.001 A 6 TYR HBy H 1 3.071 0.000 A 6 TYR HDx H 1 7.052 0.000 A 6 TYR HDy H 1 7.052 0.000 A 6 TYR HEx H 1 6.821 0.000 A 6 TYR HEy H 1 6.821 0.000 A 6 TYR CA C 13 55.803 0.000 A 6 TYR CB C 13 36.928 0.000 A 7 THR H H 1 8.200 0.000 A 7 THR HA H 1 4.411 0.002 A 7 THR HB H 1 4.083 0.000 A 7 THR HG2% H 1 1.162 0.002 A 7 THR CA C 13 61.320 0.000 A 7 THR CB C 13 67.688 0.000 A 7 THR CG2 C 13 18.793 0.000 A 8 CYS H H 1 8.352 0.000 A 8 CYS HA H 1 5.075 0.000 A 8 CYS HBy H 1 3.258 0.000 A 8 CYS HBx H 1 2.618 0.000 A 9 ARG H H 1 8.492 0.001 A 9 ARG HA H 1 4.531 0.003 A 9 ARG HBx H 1 1.712 0.004 A 9 ARG HBy H 1 1.895 0.000 A 9 ARG HDx H 1 3.205 0.001 A 9 ARG HDy H 1 3.205 0.001 A 9 ARG HE H 1 7.242 0.000 A 9 ARG HGx H 1 1.587 0.000 A 9 ARG HGy H 1 1.587 0.000 A 9 ARG CA C 13 52.324 0.000 A 9 ARG CG C 13 24.617 0.000 A 10 PRO HA H 1 4.359 0.001 A 10 PRO HBy H 1 2.340 0.001 A 10 PRO HBx H 1 1.875 0.002 A 10 PRO HDx H 1 3.587 0.000 A 10 PRO HDy H 1 3.884 0.003 A 10 PRO HGy H 1 2.157 0.001 A 10 PRO HGx H 1 2.035 0.003 A 10 PRO CA C 13 61.823 0.000 A 10 PRO CD C 13 47.880 0.005 A 11 GLY H H 1 8.897 0.000 A 11 GLY HAy H 1 4.320 0.001 A 11 GLY HAx H 1 3.683 0.001 A 11 GLY CA C 13 42.316 0.000 A 12 GLN H H 1 8.093 0.001 A 12 GLN HA H 1 4.813 0.000 A 12 GLN HBy H 1 2.338 0.006 A 12 GLN HBx H 1 2.262 0.003 A 12 GLN HE2y H 1 7.682 0.000 A 12 GLN HE2x H 1 6.747 0.000 A 12 GLN HGx H 1 2.852 0.000 A 12 GLN HGy H 1 3.039 0.000 A 12 GLN CB C 13 29.091 0.000 A 12 GLN CG C 13 31.765 0.000 A 13 THR H H 1 8.977 0.001 A 13 THR HA H 1 4.589 0.002 A 13 THR HB H 1 4.054 0.001 A 13 THR HG2% H 1 1.225 0.002 A 13 THR CA C 13 57.738 0.000 A 13 THR CB C 13 68.201 0.000 A 13 THR CG2 C 13 18.733 0.000 A 14 CYS H H 1 8.879 0.000 A 14 CYS HA H 1 5.234 0.002 A 14 CYS HBy H 1 3.337 0.000 A 14 CYS HBx H 1 3.172 0.000 A 14 CYS CA C 13 53.952 0.000 A 15 CYS H H 1 8.897 0.000 A 15 CYS HA H 1 5.014 0.000 A 15 CYS HBx H 1 3.086 0.000 A 15 CYS HBy H 1 3.210 0.000 A 16 ARG H H 1 8.905 0.001 A 16 ARG HA H 1 3.961 0.000 A 16 ARG HBx H 1 1.488 0.002 A 16 ARG HBy H 1 1.719 0.000 A 16 ARG HDx H 1 2.977 0.002 A 16 ARG HDy H 1 2.977 0.002 A 16 ARG HGx H 1 1.211 0.004 A 16 ARG HGy H 1 1.404 0.001 A 16 ARG CD C 13 40.634 0.000 A 16 ARG CG C 13 24.586 0.037 A 17 GLY H H 1 8.008 0.001 A 17 GLY HAy H 1 4.363 0.003 A 17 GLY HAx H 1 3.763 0.001 A 17 GLY CA C 13 41.815 0.004 A 18 LEU H H 1 8.083 0.001 A 18 LEU HA H 1 3.981 0.004 A 18 LEU HDx% H 1 0.849 0.000 A 18 LEU HDy% H 1 0.849 0.000 A 18 LEU HG H 1 1.930 0.000 A 18 LEU CA C 13 54.614 0.000 A 18 LEU CDx C 13 21.776 0.000 A 18 LEU CDy C 13 21.776 0.000 A 19 HIS H H 1 8.649 0.001 A 19 HIS HA H 1 4.873 0.000 A 19 HIS HBx H 1 3.042 0.000 A 19 HIS HBy H 1 3.421 0.000 A 19 HIS HD2 H 1 7.301 0.000 A 19 HIS HE1 H 1 8.631 0.000 A 19 HIS CB C 13 25.822 0.005 A 20 GLY H H 1 7.607 0.000 A 20 GLY HAx H 1 3.647 0.000 A 20 GLY HAy H 1 4.271 0.001 A 20 GLY CA C 13 42.268 0.000 A 21 TYR H H 1 8.141 0.001 A 21 TYR HA H 1 4.627 0.000 A 21 TYR HBy H 1 2.766 0.000 A 21 TYR HBx H 1 2.567 0.000 A 21 TYR HDx H 1 6.950 0.000 A 21 TYR HDy H 1 6.950 0.000 A 21 TYR HEx H 1 6.799 0.000 A 21 TYR HEy H 1 6.799 0.000 A 22 GLY H H 1 8.295 0.001 A 22 GLY HAy H 1 4.134 0.001 A 22 GLY HAx H 1 3.798 0.000 A 22 GLY CA C 13 42.294 0.013 A 23 CYS H H 1 8.541 0.001 A 23 CYS HA H 1 5.353 0.004 A 23 CYS HBy H 1 2.847 0.000 A 23 CYS HBx H 1 2.779 0.000 A 23 CYS CA C 13 52.179 0.000 A 24 CYS H H 1 9.446 0.000 A 24 CYS HA H 1 4.757 0.000 A 24 CYS HBx H 1 3.048 0.000 A 24 CYS HBy H 1 3.048 0.000 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _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 3 ASP O A 6 TYR H 1.0 . 2.2 2 2 A 3 ASP O A 6 TYR N 1.0 . 3.2 3 3 A 8 CYS O A 12 GLN H 1.0 . 2.2 4 4 A 8 CYS O A 12 GLN N 1.0 . 3.2 5 5 A 22 GLY O A 15 CYS H 1.0 . 2.2 6 6 A 22 GLY O A 15 CYS N 1.0 . 3.2 7 7 A 13 THR O A 24 CYS H 1.0 . 2.2 8 8 A 13 THR O A 24 CYS N 1.0 . 3.2 9 9 A 4 ALA O A 8 CYS H 1.0 . 2.2 10 10 A 4 ALA O A 8 CYS N 1.0 . 3.2 11 11 A 5 VAL O A 9 ARG H 1.0 . 2.2 12 12 A 5 VAL O A 9 ARG N 1.0 . 3.2 13 13 A 15 CYS O A 22 GLY H 1.0 . 2.2 14 14 A 15 CYS O A 22 GLY N 1.0 . 3.2 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 CYS C A 2 ALA N A 2 ALA CA A 2 ALA C 1.0 -79.9 -39.9 PHI 2 2 A 2 ALA N A 2 ALA CA A 2 ALA C A 3 ASP N 1.0 -52.8 -12.8 PSI 3 3 A 2 ALA C A 3 ASP N A 3 ASP CA A 3 ASP C 1.0 -84.1 -44.1 PHI 4 4 A 3 ASP N A 3 ASP CA A 3 ASP C A 4 ALA N 1.0 -57.3 -17.3 PSI 5 5 A 3 ASP C A 4 ALA N A 4 ALA CA A 4 ALA C 1.0 -87.6 -47.6 PHI 6 6 A 4 ALA N A 4 ALA CA A 4 ALA C A 5 VAL N 1.0 -60.0 -20.0 PSI 7 7 A 4 ALA C A 5 VAL N A 5 VAL CA A 5 VAL C 1.0 -85.5 -45.5 PHI 8 8 A 5 VAL N A 5 VAL CA A 5 VAL C A 6 TYR N 1.0 -60.4 -20.4 PSI 9 9 A 5 VAL C A 6 TYR N A 6 TYR CA A 6 TYR C 1.0 -85.5 -45.5 PHI 10 10 A 6 TYR N A 6 TYR CA A 6 TYR C A 7 THR N 1.0 -62.7 -22.7 PSI 11 11 A 6 TYR C A 7 THR N A 7 THR CA A 7 THR C 1.0 -86.0 -46.0 PHI 12 12 A 7 THR N A 7 THR CA A 7 THR C A 8 CYS N 1.0 -57.4 -17.4 PSI 13 13 A 7 THR C A 8 CYS N A 8 CYS CA A 8 CYS C 1.0 -86.3 -46.3 PHI 14 14 A 8 CYS N A 8 CYS CA A 8 CYS C A 9 ARG N 1.0 -57.0 -17.0 PSI 15 15 A 8 CYS C A 9 ARG N A 9 ARG CA A 9 ARG C 1.0 -91.4 -51.4 PHI 16 16 A 9 ARG N A 9 ARG CA A 9 ARG C A 10 ALA N 1.0 -59.1 -19.1 PSI 17 17 A 9 ARG C A 10 ALA N A 10 ALA CA A 10 ALA C 1.0 -95.6 -55.6 PHI 18 18 A 10 ALA N A 10 ALA CA A 10 ALA C A 11 GLY N 1.0 -52.9 -12.9 PSI 19 19 A 11 GLY C A 12 GLN N A 12 GLN CA A 12 GLN C 1.0 -160.7 -114.4 PHI 20 20 A 12 GLN N A 12 GLN CA A 12 GLN C A 13 THR N 1.0 134.9 174.9 PSI 21 21 A 12 GLN C A 13 THR N A 13 THR CA A 13 THR C 1.0 -168.1 -115.7 PHI 22 22 A 13 THR N A 13 THR CA A 13 THR C A 14 CYS N 1.0 121.9 166.2 PSI 23 23 A 13 THR C A 14 CYS N A 14 CYS CA A 14 CYS C 1.0 -160.9 -54.6 PHI 24 24 A 14 CYS N A 14 CYS CA A 14 CYS C A 15 CYS N 1.0 107.6 163.8 PSI 25 25 A 14 CYS C A 15 CYS N A 15 CYS CA A 15 CYS C 1.0 -192.7 -68.4 PHI 26 26 A 15 CYS N A 15 CYS CA A 15 CYS C A 16 ARG N 1.0 127.4 176.3 PSI 27 27 A 16 ARG C A 17 GLY N A 17 GLY CA A 17 GLY C 1.0 -81.6 -41.6 PHI 28 28 A 17 GLY C A 18 LEU N A 18 LEU CA A 18 LEU C 1.0 -87.2 -47.2 PHI 29 29 A 18 LEU N A 18 LEU CA A 18 LEU C A 19 HIS N 1.0 -62.4 -22.4 PSI 30 30 A 18 LEU C A 19 HIS N A 19 HIS CA A 19 HIS C 1.0 -84.4 -44.4 PHI 31 31 A 19 HIS N A 19 HIS CA A 19 HIS C A 20 GLY N 1.0 -57.5 -17.5 PSI 32 32 A 20 GLY N A 20 GLY CA A 20 GLY C A 21 TYR N 1.0 -50.8 -10.8 PSI 33 33 A 20 GLY C A 21 TYR N A 21 TYR CA A 21 TYR C 1.0 -130.3 -81.1 PHI 34 34 A 22 GLY C A 23 CYS N A 23 CYS CA A 23 CYS C 1.0 -111.3 -48.5 PHI 35 35 A 23 CYS N A 23 CYS CA A 23 CYS C A 24 CYS N 1.0 125.2 167.1 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 ppm . . 11.98 . aliased . . 2 ppm . . 150.6 . aliased . . stop_ save_