data_nef_c30315_5wcv 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 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 5WCV 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 29 CYS SG 1 8 CYS SG 1 22 CYS SG 1 13 CYS SG 1 26 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 GLU middle . . 3 A 3 ASN middle . . 4 A 4 THR middle . . 5 A 5 ILE middle . . 6 A 6 SER middle . . 7 A 7 GLY middle . false 8 A 8 CYS middle -HG . 9 A 9 SER middle . . 10 A 10 ARG middle . . 11 A 11 ALA middle . . 12 A 12 ASP middle . . 13 A 13 CYS middle -HG . 14 A 14 LEU middle . . 15 A 15 LEU middle . . 16 A 16 THR middle . . 17 A 17 HIS middle . . 18 A 18 ARG middle . . 19 A 19 LYS middle . . 20 A 20 GLN middle . . 21 A 21 GLY middle . false 22 A 22 CYS middle -HG . 23 A 23 GLN middle . . 24 A 24 LYS middle . . 25 A 25 THR middle . . 26 A 26 CYS middle -HG . 27 A 27 GLY middle . false 28 A 28 LEU middle . . 29 A 29 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 1 CYS HA H 1 4.451 0.003 A 1 CYS HBx H 1 3.122 0.002 A 1 CYS HBy H 1 3.288 0.001 A 2 GLU H H 1 8.602 0.002 A 2 GLU HA H 1 4.672 0.006 A 2 GLU HB2 H 1 1.799 0.000 A 2 GLU HB3 H 1 1.799 0.000 A 2 GLU HGy H 1 2.260 0.003 A 2 GLU HGx H 1 2.170 0.003 A 2 GLU N N 15 122.138 0.000 A 3 ASN H H 1 9.036 0.002 A 3 ASN HA H 1 4.981 0.001 A 3 ASN HBx H 1 2.844 0.001 A 3 ASN HBy H 1 3.604 0.002 A 3 ASN HD21 H 1 7.635 0.001 A 3 ASN HD22 H 1 7.845 0.001 A 3 ASN N N 15 120.372 0.000 A 3 ASN ND2 N 15 115.463 0.000 A 4 THR H H 1 8.980 0.001 A 4 THR HA H 1 4.365 0.000 A 4 THR HB H 1 4.401 0.000 A 4 THR HG2% H 1 1.273 0.001 A 4 THR N N 15 116.021 0.000 A 5 ILE H H 1 7.995 0.001 A 5 ILE HA H 1 4.456 0.003 A 5 ILE HB H 1 1.852 0.004 A 5 ILE HD1% H 1 0.893 0.001 A 5 ILE HG12 H 1 1.411 0.001 A 5 ILE HG2% H 1 0.859 0.000 A 5 ILE N N 15 120.614 0.000 A 6 SER H H 1 8.396 0.001 A 6 SER HA H 1 4.509 0.004 A 6 SER HB2 H 1 3.857 0.000 A 6 SER HB3 H 1 3.857 0.000 A 6 SER N N 15 117.746 0.000 A 7 GLY H H 1 8.687 0.001 A 7 GLY HAx H 1 3.827 0.002 A 7 GLY HAy H 1 3.954 0.000 A 7 GLY N N 15 111.374 0.000 A 8 CYS H H 1 8.506 0.001 A 8 CYS HA H 1 4.696 0.000 A 8 CYS HBy H 1 3.081 0.003 A 8 CYS HBx H 1 2.579 0.002 A 8 CYS N N 15 118.805 0.000 A 9 SER H H 1 9.757 0.002 A 9 SER HA H 1 4.743 0.002 A 9 SER HBy H 1 4.162 0.002 A 9 SER HBx H 1 3.884 0.001 A 9 SER N N 15 119.399 0.000 A 10 ARG H H 1 8.843 0.001 A 10 ARG HA H 1 4.178 0.002 A 10 ARG HB2 H 1 1.857 0.004 A 10 ARG HB3 H 1 1.857 0.004 A 10 ARG HD2 H 1 3.216 0.001 A 10 ARG HD3 H 1 3.216 0.001 A 10 ARG HE H 1 7.240 0.002 A 10 ARG HGx H 1 1.670 0.007 A 10 ARG HGy H 1 1.773 0.001 A 10 ARG N N 15 119.559 0.000 A 10 ARG NE N 15 83.82 0.000 A 11 ALA H H 1 7.995 0.001 A 11 ALA HA H 1 4.048 0.001 A 11 ALA HB% H 1 1.344 0.001 A 11 ALA N N 15 121.752 0.000 A 12 ASP H H 1 7.826 0.001 A 12 ASP HA H 1 4.466 0.001 A 12 ASP HBx H 1 2.427 0.003 A 12 ASP HBy H 1 3.018 0.003 A 12 ASP N N 15 116.130 0.000 A 13 CYS H H 1 7.531 0.001 A 13 CYS HA H 1 4.414 0.005 A 13 CYS HBx H 1 2.767 0.001 A 13 CYS HBy H 1 3.460 0.002 A 13 CYS N N 15 113.176 0.000 A 14 LEU H H 1 7.231 0.001 A 14 LEU HA H 1 4.400 0.001 A 14 LEU HB2 H 1 1.682 0.000 A 14 LEU HB3 H 1 1.669 0.000 A 14 LEU HDx% H 1 0.843 0.004 A 14 LEU HDy% H 1 0.931 0.001 A 14 LEU HG H 1 1.657 0.000 A 14 LEU N N 15 117.082 0.000 A 15 LEU H H 1 7.455 0.002 A 15 LEU HA H 1 4.713 0.001 A 15 LEU HBx H 1 1.630 0.004 A 15 LEU HBy H 1 1.956 0.004 A 15 LEU HDx% H 1 0.901 0.005 A 15 LEU HDy% H 1 1.000 0.001 A 15 LEU HG H 1 1.739 0.003 A 15 LEU N N 15 121.154 0.000 A 16 THR H H 1 8.641 0.000 A 16 THR HA H 1 3.795 0.001 A 16 THR HB H 1 3.965 0.001 A 16 THR HG2% H 1 1.065 0.001 A 16 THR N N 15 119.682 0.000 A 17 HIS H H 1 8.976 0.001 A 17 HIS HA H 1 4.693 0.005 A 17 HIS HBy H 1 3.361 0.003 A 17 HIS HBx H 1 3.267 0.003 A 17 HIS HD2 H 1 7.334 0.002 A 17 HIS HE1 H 1 8.601 0.000 A 17 HIS N N 15 115.955 0.000 A 18 ARG H H 1 7.643 0.003 A 18 ARG HA H 1 4.275 0.002 A 18 ARG HBx H 1 1.904 0.000 A 18 ARG HBy H 1 1.959 0.007 A 18 ARG HDy H 1 3.190 0.001 A 18 ARG HDx H 1 3.119 0.002 A 18 ARG HE H 1 7.677 0.003 A 18 ARG HGx H 1 1.520 0.000 A 18 ARG HGy H 1 1.689 0.002 A 18 ARG HH11 H 1 6.950 0.004 A 18 ARG HH22 H 1 6.547 0.003 A 18 ARG N N 15 118.705 0.000 A 18 ARG NE N 15 83.50 0.000 A 19 LYS H H 1 8.081 0.001 A 19 LYS HA H 1 3.673 0.001 A 19 LYS HB2 H 1 1.861 0.002 A 19 LYS HB3 H 1 1.861 0.002 A 19 LYS HDy H 1 1.713 0.002 A 19 LYS HDx H 1 1.656 0.005 A 19 LYS HE2 H 1 2.915 0.002 A 19 LYS HE3 H 1 2.915 0.002 A 19 LYS HGx H 1 1.299 0.003 A 19 LYS HGy H 1 1.380 0.001 A 19 LYS N N 15 119.672 0.000 A 20 GLN H H 1 7.783 0.000 A 20 GLN HA H 1 3.951 0.001 A 20 GLN HBx H 1 2.007 0.002 A 20 GLN HBy H 1 2.084 0.001 A 20 GLN HE21 H 1 7.535 0.000 A 20 GLN HE22 H 1 6.879 0.000 A 20 GLN HG2 H 1 2.420 0.003 A 20 GLN HG3 H 1 2.420 0.003 A 20 GLN N N 15 114.799 0.000 A 20 GLN NE2 N 15 111.679 0.000 A 21 GLY H H 1 7.769 0.001 A 21 GLY HAx H 1 3.586 0.004 A 21 GLY HAy H 1 4.443 0.000 A 21 GLY N N 15 107.369 0.000 A 22 CYS H H 1 7.539 0.002 A 22 CYS HA H 1 5.398 0.001 A 22 CYS HBy H 1 3.177 0.001 A 22 CYS HBx H 1 2.435 0.003 A 22 CYS N N 15 120.848 0.000 A 23 GLN H H 1 8.515 0.002 A 23 GLN HA H 1 3.726 0.002 A 23 GLN HBx H 1 1.981 0.003 A 23 GLN HBy H 1 2.246 0.002 A 23 GLN HE21 H 1 6.894 0.004 A 23 GLN HE22 H 1 7.640 0.001 A 23 GLN HGx H 1 2.415 0.001 A 23 GLN HGy H 1 2.505 0.002 A 23 GLN N N 15 117.134 0.000 A 23 GLN NE2 N 15 110.798 0.000 A 24 LYS H H 1 7.782 0.002 A 24 LYS HA H 1 4.158 0.003 A 24 LYS HBy H 1 1.692 0.002 A 24 LYS HBx H 1 1.405 0.001 A 24 LYS HDx H 1 1.345 0.001 A 24 LYS HDy H 1 1.791 0.000 A 24 LYS HE2 H 1 2.990 0.005 A 24 LYS HE3 H 1 2.990 0.005 A 24 LYS HG2 H 1 1.323 0.000 A 24 LYS HZ1 H 1 7.576 0.000 A 24 LYS HZ2 H 1 7.576 0.000 A 24 LYS HZ3 H 1 7.576 0.000 A 24 LYS N N 15 118.919 0.000 A 25 THR H H 1 8.825 0.000 A 25 THR HA H 1 3.861 0.001 A 25 THR HB H 1 3.839 0.004 A 25 THR HG1 H 1 5.941 0.005 A 25 THR HG2% H 1 0.984 0.002 A 25 THR N N 15 121.324 0.000 A 26 CYS H H 1 8.533 0.001 A 26 CYS HA H 1 4.844 0.003 A 26 CYS HBy H 1 3.259 0.002 A 26 CYS HBx H 1 2.529 0.001 A 26 CYS N N 15 113.383 0.000 A 27 GLY H H 1 7.775 0.001 A 27 GLY HAx H 1 4.006 0.000 A 27 GLY HAy H 1 4.125 0.000 A 27 GLY N N 15 109.976 0.000 A 28 LEU H H 1 8.767 0.001 A 28 LEU HA H 1 4.382 0.000 A 28 LEU HBx H 1 1.537 0.001 A 28 LEU HBy H 1 1.764 0.002 A 28 LEU HD1% H 1 0.803 0.003 A 28 LEU HD2% H 1 0.803 0.003 A 28 LEU HG H 1 1.409 0.002 A 28 LEU N N 15 118.892 0.000 A 29 CYS H H 1 7.764 0.002 A 29 CYS HA H 1 4.332 0.000 A 29 CYS HBx H 1 3.096 0.001 A 29 CYS HBy H 1 3.392 0.000 A 29 CYS N N 15 120.119 0.000 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 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_type . _nef_nmr_spectrum.num_dimensions 2 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.folding 1 ppm 1H 11.0082 . 2 ppm 1H 11.0082 . stop_ save_