data_nef_c30259_5v0y 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 5V0Y 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 VAL middle . . 9 A 9 TYR middle . . 10 A 10 ARG middle . . 11 A 11 ASN middle . . 12 A 12 GLY middle . false 13 A 13 VAL 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 3.958 0.001 A 1 GLY HAy H 1 3.958 0.001 A 1 GLY CA C 13 43.427 0.000 A 2 PHE H H 1 8.603 0.001 A 2 PHE HA H 1 4.989 0.003 A 2 PHE HBx H 1 3.254 0.008 A 2 PHE HBy H 1 3.254 0.008 A 2 PHE HDx H 1 7.356 0.003 A 2 PHE HDy H 1 7.356 0.003 A 2 PHE HEx H 1 7.237 0.000 A 2 PHE HEy H 1 7.237 0.000 A 2 PHE HZ H 1 7.211 0.000 A 2 PHE CA C 13 57.266 0.000 A 2 PHE CB C 13 40.978 0.000 A 2 PHE N N 15 120.594 0.000 A 3 CYS H H 1 8.193 0.002 A 3 CYS HA H 1 5.569 0.000 A 3 CYS HBy H 1 2.854 0.003 A 3 CYS HBx H 1 2.500 0.005 A 3 CYS CA C 13 55.813 0.000 A 3 CYS CB C 13 48.274 0.009 A 3 CYS N N 15 119.001 0.000 A 4 TRP H H 1 9.244 0.001 A 4 TRP HA H 1 4.862 0.000 A 4 TRP HBx H 1 3.326 0.008 A 4 TRP HBy H 1 3.326 0.008 A 4 TRP HD1 H 1 6.961 0.001 A 4 TRP HE1 H 1 9.978 0.001 A 4 TRP HE3 H 1 7.113 0.000 A 4 TRP HH2 H 1 6.968 0.005 A 4 TRP HZ2 H 1 7.289 0.000 A 4 TRP HZ3 H 1 6.818 0.003 A 4 TRP CB C 13 31.796 0.000 A 4 TRP N N 15 122.854 0.000 A 4 TRP NE1 N 15 128.687 0.000 A 5 TYR H H 1 8.695 0.004 A 5 TYR HA H 1 5.144 0.011 A 5 TYR HBx H 1 2.710 0.007 A 5 TYR HBy H 1 2.844 0.002 A 5 TYR HDx H 1 6.881 0.002 A 5 TYR HDy H 1 6.881 0.002 A 5 TYR HEx H 1 6.757 0.007 A 5 TYR HEy H 1 6.757 0.007 A 5 TYR CA C 13 57.688 0.000 A 6 VAL H H 1 8.921 0.001 A 6 VAL HA H 1 4.359 0.004 A 6 VAL HB H 1 1.663 0.004 A 6 VAL HGx% H 1 0.938 0.003 A 6 VAL HGy% H 1 0.938 0.003 A 6 VAL CA C 13 60.896 0.000 A 6 VAL CB C 13 33.823 0.000 A 6 VAL CGx C 13 20.989 0.000 A 6 VAL CGy C 13 20.989 0.000 A 6 VAL N N 15 123.942 0.000 A 7 CYS H H 1 8.770 0.002 A 7 CYS HA H 1 5.766 0.003 A 7 CYS HBy H 1 3.002 0.001 A 7 CYS HBx H 1 2.439 0.004 A 7 CYS CA C 13 55.136 0.000 A 7 CYS CB C 13 47.526 0.004 A 7 CYS N N 15 119.001 0.000 A 8 VAL H H 1 9.169 0.002 A 8 VAL HA H 1 4.643 0.004 A 8 VAL HB H 1 2.274 0.002 A 8 VAL HGx% H 1 1.014 0.002 A 8 VAL HGy% H 1 0.929 0.000 A 8 VAL CA C 13 59.381 0.000 A 8 VAL CB C 13 35.795 0.000 A 8 VAL CGx C 13 21.422 0.000 A 8 VAL N N 15 119.470 0.000 A 9 TYR H H 1 8.692 0.003 A 9 TYR HA H 1 5.105 0.014 A 9 TYR HBy H 1 2.842 0.003 A 9 TYR HBx H 1 2.721 0.006 A 9 TYR HDx H 1 6.897 0.001 A 9 TYR HDy H 1 6.897 0.001 A 9 TYR HEx H 1 6.776 0.006 A 9 TYR HEy H 1 6.776 0.006 A 9 TYR CA C 13 57.563 0.000 A 10 ARG H H 1 9.085 0.002 A 10 ARG HA H 1 4.634 0.004 A 10 ARG HBy H 1 1.778 0.002 A 10 ARG HBx H 1 1.646 0.010 A 10 ARG HDy H 1 3.234 0.003 A 10 ARG HDx H 1 3.204 0.001 A 10 ARG HE H 1 7.222 0.001 A 10 ARG HGx H 1 1.536 0.004 A 10 ARG HGy H 1 1.536 0.004 A 10 ARG CA C 13 54.850 0.000 A 10 ARG CB C 13 32.286 0.007 A 10 ARG CD C 13 43.492 0.001 A 10 ARG CG C 13 26.929 0.007 A 10 ARG N N 15 124.480 0.000 A 10 ARG NE N 15 124.810 0.000 A 11 ASN H H 1 9.640 0.002 A 11 ASN HA H 1 4.402 0.004 A 11 ASN HBx H 1 2.803 0.003 A 11 ASN HBy H 1 3.101 0.002 A 11 ASN HD2y H 1 7.637 0.002 A 11 ASN HD2x H 1 6.948 0.005 A 11 ASN CA C 13 54.314 0.000 A 11 ASN CB C 13 37.550 0.003 A 11 ASN N N 15 125.632 0.000 A 11 ASN ND2 N 15 112.770 0.011 A 12 GLY H H 1 8.584 0.002 A 12 GLY HAx H 1 3.678 0.002 A 12 GLY HAy H 1 4.251 0.003 A 12 GLY CA C 13 45.333 0.004 A 12 GLY N N 15 102.628 0.000 A 13 VAL H H 1 7.720 0.001 A 13 VAL HA H 1 4.375 0.006 A 13 VAL HB H 1 2.109 0.001 A 13 VAL HGx% H 1 0.948 0.009 A 13 VAL HGy% H 1 0.948 0.009 A 13 VAL CA C 13 61.092 0.000 A 13 VAL CB C 13 34.551 0.000 A 13 VAL CGx C 13 18.877 0.000 A 13 VAL CGy C 13 18.877 0.000 A 13 VAL N N 15 120.364 0.000 A 14 ARG H H 1 8.629 0.004 A 14 ARG HA H 1 4.147 0.001 A 14 ARG HBy H 1 1.691 0.000 A 14 ARG HBx H 1 1.309 0.002 A 14 ARG HDx H 1 3.031 0.003 A 14 ARG HDy H 1 3.031 0.003 A 14 ARG HE H 1 7.092 0.002 A 14 ARG HGy H 1 1.222 0.001 A 14 ARG HGx H 1 0.916 0.005 A 14 ARG CA C 13 55.299 0.000 A 14 ARG CB C 13 30.678 0.009 A 14 ARG CD C 13 43.570 0.000 A 14 ARG CG C 13 27.816 0.000 A 14 ARG N N 15 127.525 0.000 A 14 ARG NE N 15 124.662 0.000 A 15 VAL H H 1 9.163 0.000 A 15 VAL HA H 1 4.243 0.002 A 15 VAL HB H 1 1.907 0.008 A 15 VAL HGx% H 1 0.811 0.002 A 15 VAL HGy% H 1 0.915 0.008 A 15 VAL CA C 13 61.491 0.000 A 15 VAL CB C 13 34.320 0.000 A 15 VAL CGy C 13 20.770 0.000 A 15 VAL CGx C 13 20.684 0.000 A 15 VAL N N 15 129.721 0.000 A 16 CYS H H 1 8.591 0.001 A 16 CYS HA H 1 5.791 0.004 A 16 CYS HBy H 1 2.981 0.003 A 16 CYS HBx H 1 2.602 0.004 A 16 CYS CA C 13 54.880 0.000 A 16 CYS CB C 13 48.492 0.010 A 16 CYS N N 15 122.934 0.000 A 17 TYR H H 1 9.157 0.002 A 17 TYR HA H 1 4.886 0.006 A 17 TYR HBx H 1 2.906 0.004 A 17 TYR HBy H 1 3.003 0.004 A 17 TYR HDx H 1 6.972 0.001 A 17 TYR HDy H 1 6.972 0.001 A 17 TYR HEx H 1 6.650 0.002 A 17 TYR HEy H 1 6.650 0.002 A 17 TYR N N 15 121.351 0.000 A 18 ARG H H 1 8.707 0.002 A 18 ARG HA H 1 4.200 0.000 A 18 ARG HBx H 1 1.357 0.002 A 18 ARG HBy H 1 1.633 0.003 A 18 ARG HDx H 1 2.949 0.004 A 18 ARG HDy H 1 2.949 0.004 A 18 ARG HE H 1 6.977 0.008 A 18 ARG HGx H 1 0.877 0.000 A 18 ARG HGy H 1 1.126 0.004 A 18 ARG CA C 13 55.299 0.000 A 18 ARG CB C 13 31.764 0.040 A 18 ARG CD C 13 43.547 0.000 A 18 ARG CG C 13 27.788 0.028 A 18 ARG N N 15 123.264 0.000 A 19 ARG H H 1 8.669 0.004 A 19 ARG HA H 1 4.287 0.003 A 19 ARG HBy H 1 0.936 0.002 A 19 ARG HBx H 1 0.552 0.001 A 19 ARG HDx H 1 3.126 0.005 A 19 ARG HDy H 1 3.126 0.005 A 19 ARG HE H 1 7.138 0.001 A 19 ARG HGy H 1 1.343 0.002 A 19 ARG HGx H 1 1.209 0.002 A 19 ARG CA C 13 54.084 0.000 A 19 ARG CB C 13 32.596 0.006 A 19 ARG CD C 13 43.207 0.000 A 19 ARG CG C 13 26.707 0.003 A 19 ARG N N 15 128.633 0.000 A 19 ARG NE N 15 124.936 0.000 A 20 CYS H H 1 8.086 0.003 A 20 CYS HA H 1 5.233 0.006 A 20 CYS HBx H 1 2.819 0.002 A 20 CYS HBy H 1 2.969 0.005 A 20 CYS CA C 13 55.070 0.000 A 20 CYS CB C 13 48.781 0.000 A 20 CYS N N 15 116.844 0.000 A 21 ASN H H 1 8.753 0.002 A 21 ASN HA H 1 4.905 0.012 A 21 ASN HBx H 1 2.972 0.003 A 21 ASN HBy H 1 3.282 0.005 A 21 ASN HD2x H 1 6.656 0.001 A 21 ASN HD2y H 1 7.715 0.001 A 21 ASN CA C 13 51.856 0.000 A 21 ASN CB C 13 39.300 0.001 A 21 ASN N N 15 121.545 0.000 A 21 ASN ND2 N 15 110.791 0.003 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 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 . 2.0 2 2 A 3 CYS SG A 20 CYS CB 1.0 . 3.0 3 3 A 20 CYS SG A 3 CYS CB 1.0 . 3.0 4 4 A 7 CYS SG A 16 CYS SG 1.0 . 2.0 5 5 A 7 CYS SG A 16 CYS CB 1.0 . 3.0 6 6 A 16 CYS SG A 7 CYS CB 1.0 . 3.0 7 7 A 3 CYS SG A 20 CYS SG 1.0 . 2.1 8 8 A 3 CYS SG A 20 CYS CB 1.0 . 3.1 9 9 A 20 CYS SG A 3 CYS CB 1.0 . 3.1 10 10 A 7 CYS SG A 16 CYS SG 1.0 . 2.1 11 11 A 7 CYS SG A 16 CYS CB 1.0 . 3.1 12 12 A 16 CYS SG A 7 CYS CB 1.0 . 3.1 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 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 8 VAL H A 15 VAL O 1.0 . 1.7 10 10 A 15 VAL O A 8 VAL N 1.0 . 2.7 11 11 A 15 VAL H A 8 VAL O 1.0 . 1.7 12 12 A 8 VAL O A 15 VAL N 1.0 . 2.7 13 13 A 13 VAL H A 10 ARG O 1.0 . 1.7 14 14 A 10 ARG O A 13 VAL N 1.0 . 2.7 15 15 A 10 ARG H A 13 VAL O 1.0 . 1.7 16 16 A 13 VAL O A 10 ARG N 1.0 . 2.7 17 17 A 4 TRP H A 19 ARG O 1.0 . 2.2 18 18 A 19 ARG O A 4 TRP N 1.0 . 3.2 19 19 A 19 ARG H A 4 TRP O 1.0 . 2.2 20 20 A 4 TRP O A 19 ARG N 1.0 . 3.2 21 21 A 17 TYR H A 6 VAL O 1.0 . 2.2 22 22 A 6 VAL O A 17 TYR N 1.0 . 3.2 23 23 A 6 VAL H A 17 TYR O 1.0 . 2.2 24 24 A 17 TYR O A 6 VAL N 1.0 . 3.2 25 25 A 8 VAL H A 15 VAL O 1.0 . 2.2 26 26 A 15 VAL O A 8 VAL N 1.0 . 3.2 27 27 A 15 VAL H A 8 VAL O 1.0 . 2.2 28 28 A 8 VAL O A 15 VAL N 1.0 . 3.2 29 29 A 13 VAL H A 10 ARG O 1.0 . 2.2 30 30 A 10 ARG O A 13 VAL N 1.0 . 3.2 31 31 A 10 ARG H A 13 VAL O 1.0 . 2.2 32 32 A 13 VAL O A 10 ARG 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_