data_nef_c30260_5v11 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 5V11 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 3 CYS SG 1 20 CYS SG 1 7 CYS SG 1 16 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 GLY start . false 2 A 2 PHE middle . . 3 A 3 CYS middle -HG . 4 A 4 TRP middle . . 5 A 5 TYR middle . . 6 A 6 VAL middle . . 7 A 7 CYS middle -HG . 8 A 8 ALA middle . . 9 A 9 ARG middle . . 10 A 10 ARG middle . . 11 A 11 ASN middle . . 12 A 12 GLY middle . false 13 A 13 ALA middle . . 14 A 14 ARG middle . . 15 A 15 VAL middle . . 16 A 16 CYS middle -HG . 17 A 17 TYR middle . . 18 A 18 ARG middle . . 19 A 19 ARG middle . . 20 A 20 CYS middle -HG . 21 A 21 ASN 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 3.954 0.008 A 1 GLY HAy H 1 3.954 0.008 A 1 GLY CA C 13 43.536 0.000 A 2 PHE H H 1 8.791 0.004 A 2 PHE HA H 1 4.944 0.010 A 2 PHE HBx H 1 3.230 0.004 A 2 PHE HBy H 1 3.230 0.004 A 2 PHE HDx H 1 7.335 0.004 A 2 PHE HDy H 1 7.335 0.004 A 2 PHE HEx H 1 7.260 0.007 A 2 PHE HEy H 1 7.260 0.007 A 2 PHE HZ H 1 7.222 0.004 A 2 PHE CA C 13 55.967 0.000 A 2 PHE CB C 13 40.894 0.000 A 2 PHE CDx C 13 132.247 0.000 A 2 PHE CEx C 13 131.553 0.000 A 2 PHE CZ C 13 129.795 0.000 A 2 PHE N N 15 121.251 0.000 A 3 CYS H H 1 8.192 0.003 A 3 CYS HA H 1 5.600 0.003 A 3 CYS HBy H 1 2.863 0.001 A 3 CYS HBx H 1 2.492 0.004 A 3 CYS CA C 13 55.824 0.000 A 3 CYS CB C 13 48.185 0.000 A 3 CYS N N 15 119.279 0.000 A 4 TRP H H 1 9.251 0.001 A 4 TRP HA H 1 4.850 0.009 A 4 TRP HBx H 1 3.305 0.002 A 4 TRP HBy H 1 3.305 0.002 A 4 TRP HD1 H 1 6.983 0.008 A 4 TRP HE1 H 1 9.984 0.004 A 4 TRP HE3 H 1 7.159 0.004 A 4 TRP HH2 H 1 6.999 0.007 A 4 TRP HZ2 H 1 7.279 0.006 A 4 TRP HZ3 H 1 6.893 0.010 A 4 TRP CB C 13 31.884 0.000 A 4 TRP CD1 C 13 127.338 0.000 A 4 TRP CE3 C 13 122.807 0.000 A 4 TRP CH2 C 13 123.857 0.000 A 4 TRP CZ2 C 13 113.913 0.000 A 4 TRP CZ3 C 13 121.827 0.000 A 4 TRP N N 15 122.880 0.000 A 4 TRP NE1 N 15 128.711 0.000 A 5 TYR H H 1 8.699 0.010 A 5 TYR HA H 1 5.087 0.009 A 5 TYR HBx H 1 2.940 0.006 A 5 TYR HBy H 1 2.940 0.006 A 5 TYR HDx H 1 6.911 0.007 A 5 TYR HDy H 1 6.911 0.007 A 5 TYR HEx H 1 6.759 0.002 A 5 TYR HEy H 1 6.759 0.002 A 5 TYR CA C 13 57.572 0.000 A 5 TYR CB C 13 43.563 0.000 A 5 TYR CDy C 13 132.662 0.000 A 5 TYR CEx C 13 118.009 0.000 A 5 TYR N N 15 123.119 0.000 A 6 VAL H H 1 8.871 0.002 A 6 VAL HA H 1 4.314 0.004 A 6 VAL HB H 1 1.550 0.006 A 6 VAL HGx% H 1 0.881 0.008 A 6 VAL HGy% H 1 0.881 0.008 A 6 VAL CA C 13 61.298 0.000 A 6 VAL CGy C 13 21.002 0.000 A 6 VAL N N 15 123.971 0.000 A 7 CYS H H 1 8.836 0.004 A 7 CYS HA H 1 5.713 0.004 A 7 CYS HBy H 1 3.049 0.004 A 7 CYS HBx H 1 2.632 0.003 A 7 CYS CA C 13 55.228 0.000 A 7 CYS CB C 13 48.214 0.068 A 7 CYS N N 15 123.681 0.000 A 8 ALA H H 1 9.107 0.001 A 8 ALA HA H 1 4.655 0.003 A 8 ALA HB% H 1 1.473 0.003 A 8 ALA CA C 13 50.973 0.000 A 8 ALA CB C 13 22.351 0.000 A 8 ALA N N 15 125.824 0.000 A 9 ARG H H 1 8.616 0.003 A 9 ARG HA H 1 5.020 0.006 A 9 ARG HBy H 1 1.689 0.004 A 9 ARG HBx H 1 1.393 0.001 A 9 ARG HDx H 1 3.102 0.003 A 9 ARG HDy H 1 3.130 0.000 A 9 ARG HGx H 1 1.519 0.003 A 9 ARG HGy H 1 1.519 0.003 A 9 ARG CA C 13 55.167 0.000 A 9 ARG CB C 13 27.442 0.013 A 9 ARG CG C 13 27.360 0.000 A 9 ARG N N 15 120.577 0.000 A 10 ARG H H 1 8.994 0.005 A 10 ARG HA H 1 4.585 0.008 A 10 ARG HBx H 1 1.714 0.011 A 10 ARG HBy H 1 1.787 0.006 A 10 ARG HDx H 1 3.211 0.007 A 10 ARG HDy H 1 3.211 0.007 A 10 ARG HGx H 1 1.538 0.004 A 10 ARG HGy H 1 1.538 0.004 A 10 ARG CA C 13 55.231 0.000 A 10 ARG CB C 13 32.475 0.010 A 10 ARG CD C 13 43.404 0.000 A 10 ARG CG C 13 26.81 0.000 A 10 ARG N N 15 125.299 0.000 A 11 ASN H H 1 9.579 0.011 A 11 ASN HA H 1 4.419 0.006 A 11 ASN HBy H 1 3.081 0.006 A 11 ASN HBx H 1 2.801 0.004 A 11 ASN HD2y H 1 7.655 0.005 A 11 ASN HD2x H 1 6.957 0.007 A 11 ASN CA C 13 54.235 0.000 A 11 ASN CB C 13 37.506 0.002 A 11 ASN N N 15 125.259 0.000 A 11 ASN ND2 N 15 112.678 0.002 A 12 GLY H H 1 8.659 0.006 A 12 GLY HAx H 1 3.613 0.010 A 12 GLY HAy H 1 4.205 0.007 A 12 GLY CA C 13 45.556 0.002 A 12 GLY N N 15 104.299 0.000 A 13 ALA H H 1 7.781 0.002 A 13 ALA HA H 1 4.680 0.006 A 13 ALA HB% H 1 1.399 0.003 A 13 ALA CA C 13 50.657 0.000 A 13 ALA CB C 13 21.304 0.000 A 13 ALA N N 15 123.735 0.000 A 14 ARG H H 1 8.662 0.003 A 14 ARG HA H 1 4.639 0.007 A 14 ARG HBx H 1 1.806 0.004 A 14 ARG HBy H 1 1.806 0.004 A 14 ARG HDx H 1 3.137 0.005 A 14 ARG HDy H 1 3.137 0.005 A 14 ARG HGx H 1 1.458 0.003 A 14 ARG HGy H 1 1.627 0.009 A 14 ARG CA C 13 56.278 0.000 A 14 ARG CB C 13 30.897 0.000 A 14 ARG CD C 13 43.416 0.000 A 14 ARG CG C 13 28.095 0.017 A 14 ARG N N 15 122.343 0.000 A 15 VAL H H 1 8.929 0.005 A 15 VAL HA H 1 4.429 0.004 A 15 VAL HB H 1 2.010 0.001 A 15 VAL HGx% H 1 0.935 0.004 A 15 VAL HGy% H 1 0.935 0.004 A 15 VAL CA C 13 61.225 0.000 A 15 VAL CB C 13 34.455 0.000 A 15 VAL CGx C 13 20.848 0.000 A 15 VAL CGy C 13 20.848 0.000 A 15 VAL N N 15 127.769 0.000 A 16 CYS H H 1 8.773 0.004 A 16 CYS HA H 1 5.804 0.004 A 16 CYS HBy H 1 3.036 0.005 A 16 CYS HBx H 1 2.635 0.003 A 16 CYS CA C 13 55.141 0.000 A 16 CYS CB C 13 48.823 0.004 A 16 CYS N N 15 123.810 0.000 A 17 TYR H H 1 9.030 0.002 A 17 TYR HA H 1 4.927 0.008 A 17 TYR HBx H 1 2.925 0.006 A 17 TYR HBy H 1 3.012 0.004 A 17 TYR HDx H 1 6.965 0.001 A 17 TYR HDy H 1 6.965 0.001 A 17 TYR HEx H 1 6.656 0.002 A 17 TYR HEy H 1 6.656 0.002 A 17 TYR CA C 13 57.375 0.000 A 17 TYR CB C 13 40.449 0.010 A 17 TYR CDy C 13 133.673 0.000 A 17 TYR CEx C 13 117.708 0.000 A 17 TYR N N 15 120.802 0.000 A 18 ARG H H 1 8.688 0.004 A 18 ARG HA H 1 4.216 0.005 A 18 ARG HBy H 1 1.628 0.004 A 18 ARG HBx H 1 1.327 0.008 A 18 ARG HDx H 1 2.699 0.003 A 18 ARG HDy H 1 2.828 0.005 A 18 ARG HGx H 1 0.867 0.005 A 18 ARG HGy H 1 1.126 0.005 A 18 ARG CA C 13 55.244 0.000 A 18 ARG CB C 13 31.928 0.012 A 18 ARG CD C 13 40.701 0.004 A 18 ARG CG C 13 27.769 0.000 A 18 ARG N N 15 117.681 0.000 A 19 ARG H H 1 8.692 0.004 A 19 ARG HA H 1 4.302 0.005 A 19 ARG HBy H 1 0.917 0.006 A 19 ARG HBx H 1 0.620 0.003 A 19 ARG HDx H 1 3.115 0.003 A 19 ARG HDy H 1 3.115 0.003 A 19 ARG HE H 1 6.862 0.004 A 19 ARG HGy H 1 1.518 0.004 A 19 ARG HGx H 1 1.192 0.003 A 19 ARG CA C 13 54.230 0.000 A 19 ARG CB C 13 32.623 0.001 A 19 ARG CD C 13 43.232 0.000 A 19 ARG CG C 13 26.852 0.000 A 19 ARG N N 15 128.473 0.000 A 20 CYS H H 1 8.122 0.003 A 20 CYS HA H 1 5.237 0.004 A 20 CYS HBx H 1 2.806 0.004 A 20 CYS HBy H 1 3.057 0.007 A 20 CYS CA C 13 55.202 0.000 A 20 CYS CB C 13 48.455 0.026 A 20 CYS N N 15 117.742 0.000 A 21 ASN H H 1 8.633 0.005 A 21 ASN HA H 1 4.613 0.004 A 21 ASN HBy H 1 3.033 0.003 A 21 ASN HBx H 1 2.913 0.001 A 21 ASN HD2x H 1 6.585 0.009 A 21 ASN HD2y H 1 7.551 0.004 A 21 ASN CA C 13 54.084 0.000 A 21 ASN N N 15 126.338 0.000 A 21 ASN ND2 N 15 110.307 0.007 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 undefined _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 CYS SG A 20 CYS SG 1.0 . 2.10 2 2 A 3 CYS SG A 20 CYS CB 1.0 . 3.10 3 3 A 20 CYS SG A 3 CYS CB 1.0 . 3.10 4 4 A 7 CYS SG A 16 CYS SG 1.0 . 2.10 5 5 A 7 CYS SG A 16 CYS CB 1.0 . 3.10 6 6 A 16 CYS SG A 7 CYS CB 1.0 . 3.10 7 7 A 3 CYS SG A 20 CYS SG 1.0 . 1.98 8 8 A 3 CYS SG A 20 CYS CB 1.0 . 3.00 9 9 A 20 CYS SG A 3 CYS CB 1.0 . 3.00 10 10 A 7 CYS SG A 16 CYS SG 1.0 . 1.98 11 11 A 7 CYS SG A 16 CYS CB 1.0 . 3.00 12 12 A 16 CYS SG A 7 CYS CB 1.0 . 3.00 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 4 TRP H A 19 ARG O 1.0 . 1.7 2 2 A 19 ARG O A 4 TRP N 1.0 . 2.7 3 3 A 19 ARG H A 4 TRP O 1.0 . 1.7 4 4 A 4 TRP O A 19 ARG N 1.0 . 2.7 5 5 A 17 TYR H A 6 VAL O 1.0 . 1.7 6 6 A 6 VAL O A 17 TYR N 1.0 . 2.7 7 7 A 6 VAL H A 17 TYR O 1.0 . 1.7 8 8 A 17 TYR O A 6 VAL N 1.0 . 2.7 9 9 A 15 VAL H A 8 ALA O 1.0 . 1.7 10 10 A 8 ALA O A 15 VAL N 1.0 . 2.7 11 11 A 4 TRP H A 19 ARG O 1.0 . 2.2 12 12 A 19 ARG O A 4 TRP N 1.0 . 3.2 13 13 A 19 ARG H A 4 TRP O 1.0 . 2.2 14 14 A 4 TRP O A 19 ARG N 1.0 . 3.2 15 15 A 17 TYR H A 6 VAL O 1.0 . 2.2 16 16 A 6 VAL O A 17 TYR N 1.0 . 3.2 17 17 A 6 VAL H A 17 TYR O 1.0 . 2.2 18 18 A 17 TYR O A 6 VAL N 1.0 . 3.2 19 19 A 15 VAL H A 8 ALA O 1.0 . 2.2 20 20 A 8 ALA O A 15 VAL N 1.0 . 3.2 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 . . 13.0 . . . . 2 ppm . . 13.0 . . . . stop_ save_