data_nef_c36321_6m56 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 6M56 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly 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 ASN start . . 2 A 2 GLY middle . false 3 A 3 ALA middle . . 4 A 4 ILE middle . . 5 A 5 CYS middle . . 6 A 6 TRP middle . . 7 A 7 GLY middle . false 8 A 8 PRO middle . false 9 A 9 CYS middle . . 10 A 10 PRO middle . false 11 A 11 THR middle . . 12 A 12 ALA middle . . 13 A 13 PHE middle . . 14 A 14 ARG middle . . 15 A 15 GLN middle . . 16 A 16 ILE middle . . 17 A 17 GLY middle . false 18 A 18 ASN middle . . 19 A 19 CYS middle . . 20 A 20 GLY middle . false 21 A 21 ARG middle . . 22 A 22 PHE middle . . 23 A 23 ARG middle . . 24 A 24 VAL middle . . 25 A 25 ARG middle . . 26 A 26 CYS middle . . 27 A 27 CYS middle . . 28 A 28 ARG middle . . 29 A 29 ILE middle . . 30 A 30 ARG 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 ASN HA H 1 4.397 0.009 A 1 ASN HBy H 1 3.014 0.005 A 1 ASN HBx H 1 2.947 0.011 A 1 ASN HD21 H 1 7.702 0.001 A 1 ASN HD22 H 1 7.041 0.001 A 2 GLY H H 1 8.665 0.002 A 2 GLY HAx H 1 4.007 0.010 A 2 GLY HAy H 1 4.008 0.011 A 3 ALA H H 1 8.256 0.018 A 3 ALA HA H 1 4.328 0.009 A 3 ALA HB% H 1 1.351 0.001 A 4 ILE H H 1 8.136 0.005 A 4 ILE HA H 1 4.052 0.014 A 4 ILE HB H 1 1.714 0.004 A 4 ILE HD1% H 1 0.802 0.007 A 4 ILE HG1y H 1 1.412 0.005 A 4 ILE HG1x H 1 1.106 0.005 A 4 ILE HG2% H 1 0.620 0.003 A 5 CYS H H 1 8.286 0.007 A 5 CYS HA H 1 4.501 0.003 A 5 CYS HB2 H 1 2.825 0.006 A 5 CYS HB3 H 1 2.825 0.006 A 6 TRP H H 1 8.288 0.005 A 6 TRP HA H 1 4.732 0.008 A 6 TRP HBx H 1 3.213 0.004 A 6 TRP HBy H 1 3.344 0.005 A 6 TRP HD1 H 1 7.264 0.003 A 6 TRP HE1 H 1 10.106 0.001 A 6 TRP HE3 H 1 7.633 0.002 A 6 TRP HH2 H 1 7.234 0.004 A 6 TRP HZ2 H 1 7.486 0.003 A 6 TRP HZ3 H 1 7.155 0.002 A 7 GLY H H 1 8.053 0.003 A 7 GLY HA2 H 1 4.011 0.005 A 7 GLY HA3 H 1 4.011 0.005 A 8 PRO HA H 1 4.411 0.005 A 8 PRO HBy H 1 2.249 0.005 A 8 PRO HBx H 1 1.928 0.004 A 8 PRO HDx H 1 3.530 0.005 A 8 PRO HDy H 1 3.573 0.003 A 8 PRO HGx H 1 2.002 0.003 A 8 PRO HGy H 1 2.003 0.006 A 9 CYS H H 1 8.470 0.010 A 9 CYS HA H 1 4.778 0.004 A 9 CYS HBx H 1 2.913 0.004 A 9 CYS HBy H 1 2.913 0.004 A 10 PRO HA H 1 4.483 0.008 A 10 PRO HBy H 1 2.326 0.004 A 10 PRO HBx H 1 1.951 0.005 A 10 PRO HDy H 1 3.822 0.003 A 10 PRO HDx H 1 3.775 0.005 A 10 PRO HG2 H 1 2.030 0.004 A 10 PRO HG3 H 1 2.030 0.004 A 11 THR H H 1 8.065 0.006 A 11 THR HA H 1 4.234 0.013 A 11 THR HB H 1 4.205 0.012 A 11 THR HG2% H 1 1.194 0.002 A 12 ALA H H 1 8.133 0.002 A 12 ALA HA H 1 4.270 0.004 A 12 ALA HB% H 1 1.307 0.003 A 13 PHE H H 1 8.074 0.007 A 13 PHE HA H 1 4.576 0.004 A 13 PHE HBx H 1 3.033 0.009 A 13 PHE HBy H 1 3.111 0.008 A 13 PHE HD1 H 1 7.231 0.003 A 13 PHE HD2 H 1 7.231 0.003 A 13 PHE HE1 H 1 7.344 0.004 A 13 PHE HE2 H 1 7.344 0.004 A 13 PHE HZ H 1 7.332 0.021 A 14 ARG H H 1 8.057 0.008 A 14 ARG HA H 1 4.256 0.010 A 14 ARG HBx H 1 1.690 0.007 A 14 ARG HBy H 1 1.769 0.006 A 14 ARG HDx H 1 3.151 0.010 A 14 ARG HDy H 1 3.151 0.010 A 14 ARG HE H 1 7.152 0.012 A 14 ARG HGx H 1 1.531 0.016 A 14 ARG HGy H 1 1.546 0.008 A 15 GLN H H 1 8.301 0.005 A 15 GLN HA H 1 4.331 0.003 A 15 GLN HBy H 1 2.084 0.005 A 15 GLN HBx H 1 1.969 0.003 A 15 GLN HE21 H 1 7.508 0.001 A 15 GLN HE22 H 1 6.862 0.000 A 15 GLN HGx H 1 2.336 0.003 A 15 GLN HGy H 1 2.336 0.003 A 16 ILE H H 1 8.212 0.004 A 16 ILE HA H 1 4.192 0.007 A 16 ILE HB H 1 1.873 0.011 A 16 ILE HD1% H 1 0.858 0.008 A 16 ILE HG1y H 1 1.474 0.008 A 16 ILE HG1x H 1 1.187 0.010 A 16 ILE HG2% H 1 0.916 0.003 A 17 GLY H H 1 8.458 0.006 A 17 GLY HAx H 1 3.957 0.013 A 17 GLY HAy H 1 3.957 0.013 A 18 ASN H H 1 8.418 0.004 A 18 ASN HA H 1 4.756 0.010 A 18 ASN HBx H 1 2.788 0.004 A 18 ASN HBy H 1 2.866 0.012 A 18 ASN HD21 H 1 7.607 0.013 A 18 ASN HD22 H 1 6.918 0.000 A 19 CYS H H 1 8.444 0.009 A 19 CYS HA H 1 4.506 0.004 A 19 CYS HB2 H 1 2.983 0.005 A 19 CYS HB3 H 1 2.983 0.005 A 20 GLY H H 1 8.489 0.001 A 20 GLY HAx H 1 3.936 0.008 A 20 GLY HAy H 1 3.936 0.009 A 21 ARG H H 1 8.056 0.011 A 21 ARG HA H 1 4.225 0.011 A 21 ARG HBx H 1 1.632 0.014 A 21 ARG HBy H 1 1.633 0.012 A 21 ARG HDx H 1 3.091 0.004 A 21 ARG HDy H 1 3.091 0.004 A 21 ARG HE H 1 7.098 0.004 A 21 ARG HGx H 1 1.410 0.003 A 21 ARG HGy H 1 1.410 0.003 A 22 PHE H H 1 8.130 0.003 A 22 PHE HA H 1 4.660 0.009 A 22 PHE HBx H 1 3.007 0.006 A 22 PHE HBy H 1 3.169 0.009 A 22 PHE HD1 H 1 7.245 0.006 A 22 PHE HD2 H 1 7.245 0.006 A 22 PHE HE1 H 1 7.338 0.014 A 22 PHE HE2 H 1 7.338 0.014 A 22 PHE HZ H 1 7.324 0.020 A 23 ARG H H 1 8.133 0.004 A 23 ARG HA H 1 4.335 0.004 A 23 ARG HBx H 1 1.713 0.017 A 23 ARG HBy H 1 1.777 0.014 A 23 ARG HDx H 1 3.170 0.006 A 23 ARG HDy H 1 3.170 0.006 A 23 ARG HE H 1 7.176 0.001 A 23 ARG HGx H 1 1.570 0.017 A 23 ARG HGy H 1 1.570 0.017 A 24 VAL H H 1 8.114 0.014 A 24 VAL HA H 1 4.088 0.002 A 24 VAL HB H 1 2.064 0.004 A 24 VAL HGx% H 1 0.957 0.005 A 24 VAL HGy% H 1 0.957 0.005 A 25 ARG H H 1 8.478 0.008 A 25 ARG HA H 1 4.350 0.018 A 25 ARG HBx H 1 1.768 0.014 A 25 ARG HBy H 1 1.846 0.005 A 25 ARG HDx H 1 3.174 0.009 A 25 ARG HDy H 1 3.175 0.009 A 25 ARG HE H 1 7.218 0.032 A 25 ARG HGx H 1 1.614 0.023 A 25 ARG HGy H 1 1.660 0.025 A 26 CYS H H 1 8.440 0.031 A 26 CYS HA H 1 4.535 0.001 A 26 CYS HBx H 1 2.919 0.004 A 26 CYS HBy H 1 2.919 0.004 A 27 CYS H H 1 8.512 0.003 A 27 CYS HA H 1 4.543 0.016 A 27 CYS HBx H 1 2.920 0.004 A 27 CYS HBy H 1 2.920 0.004 A 28 ARG H H 1 8.404 0.003 A 28 ARG HA H 1 4.384 0.012 A 28 ARG HBx H 1 1.766 0.013 A 28 ARG HBy H 1 1.846 0.007 A 28 ARG HDy H 1 3.184 0.012 A 28 ARG HDx H 1 3.183 0.012 A 28 ARG HE H 1 7.253 0.014 A 28 ARG HGy H 1 1.635 0.021 A 28 ARG HGx H 1 1.603 0.015 A 29 ILE H H 1 8.279 0.002 A 29 ILE HA H 1 4.174 0.010 A 29 ILE HB H 1 1.880 0.015 A 29 ILE HD1% H 1 0.865 0.007 A 29 ILE HG1y H 1 1.481 0.006 A 29 ILE HG1x H 1 1.194 0.004 A 29 ILE HG2% H 1 0.923 0.008 A 30 ARG H H 1 7.983 0.003 A 30 ARG HA H 1 4.193 0.004 A 30 ARG HBx H 1 1.749 0.012 A 30 ARG HBy H 1 1.853 0.015 A 30 ARG HDy H 1 3.186 0.012 A 30 ARG HDx H 1 3.185 0.012 A 30 ARG HE H 1 7.208 0.028 A 30 ARG HGx H 1 1.595 0.006 A 30 ARG HGy H 1 1.596 0.006 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 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 . . 11.5 . . . . 2 ppm . . 12.984 . . . . stop_ save_ save_spectral_peak_list_2 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_2 _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 . . 11.4995 . . . . 2 ppm . . 12.984 . . . . stop_ save_ save_spectral_peak_list_3 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_3 _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 . . 11.4995 . . . . 2 ppm . . 12.984 . . . . stop_ save_ save_spectral_peak_list_4 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_4 _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 . . 11.4995 . . . . 2 ppm . . 12.984 . . . . stop_ save_