data_nef_c30420_6ckf 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 6CKF 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 2 CYS SG 1 36 CYS SG 1 11 CYS SG 1 29 CYS SG 1 20 CYS SG 1 33 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 ALA start . . 2 A 2 CYS middle -HG . 3 A 3 LYS middle . . 4 A 4 ASP middle . . 5 A 5 VAL middle . . 6 A 6 PHE middle . . 7 A 7 PRO middle . false 8 A 8 ALA middle . . 9 A 9 ALA middle . . 10 A 10 THR middle . . 11 A 11 CYS middle -HG . 12 A 12 ARG middle . . 13 A 13 HIS middle . . 14 A 14 ALA middle . . 15 A 15 LYS middle . . 16 A 16 SER middle . . 17 A 17 VAL middle . . 18 A 18 GLY middle . false 19 A 19 ASN middle . . 20 A 20 CYS middle -HG . 21 A 21 SER middle . . 22 A 22 SER middle . . 23 A 23 GLU middle . . 24 A 24 LYS middle . . 25 A 25 TYR middle . . 26 A 26 LYS middle . . 27 A 27 ARG middle . . 28 A 28 ASN middle . . 29 A 29 CYS middle -HG . 30 A 30 ALA middle . . 31 A 31 ILE middle . . 32 A 32 THR middle . . 33 A 33 CYS middle -HG . 34 A 34 GLY middle . false 35 A 35 ALA middle . . 36 A 36 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 ALA HA H 1 4.067 0.000 A 1 ALA HB% H 1 1.468 0.000 A 2 CYS H H 1 8.838 0.001 A 2 CYS HA H 1 4.701 0.000 A 2 CYS HB2 H 1 2.991 0.001 A 2 CYS HB3 H 1 2.991 0.001 A 2 CYS N N 15 121.512 0.000 A 3 LYS H H 1 8.339 0.002 A 3 LYS HA H 1 4.615 0.000 A 3 LYS HB2 H 1 1.794 0.000 A 3 LYS HB3 H 1 1.794 0.000 A 3 LYS HD2 H 1 1.673 0.000 A 3 LYS HD3 H 1 1.673 0.000 A 3 LYS HE2 H 1 2.950 0.000 A 3 LYS HE3 H 1 2.950 0.000 A 3 LYS HGy H 1 1.397 0.000 A 3 LYS HGx H 1 1.189 0.000 A 3 LYS N N 15 124.124 0.000 A 4 ASP H H 1 8.848 0.001 A 4 ASP HA H 1 4.777 0.001 A 4 ASP HB2 H 1 2.720 0.000 A 4 ASP HB3 H 1 3.108 0.000 A 4 ASP N N 15 123.376 0.000 A 5 VAL H H 1 8.246 0.001 A 5 VAL HA H 1 3.958 0.000 A 5 VAL HB H 1 2.055 0.001 A 5 VAL HGx% H 1 1.057 0.001 A 5 VAL HGy% H 1 0.999 0.001 A 5 VAL N N 15 126.118 0.000 A 6 PHE H H 1 8.077 0.001 A 6 PHE HA H 1 5.229 0.002 A 6 PHE HB2 H 1 3.283 0.002 A 6 PHE HB3 H 1 3.166 0.002 A 6 PHE HD1 H 1 7.238 0.001 A 6 PHE HD2 H 1 7.238 0.001 A 6 PHE HE1 H 1 7.063 0.001 A 6 PHE HE2 H 1 7.063 0.001 A 6 PHE N N 15 119.327 0.000 A 7 PRO HA H 1 4.520 0.001 A 7 PRO HBy H 1 2.564 0.001 A 7 PRO HBx H 1 1.979 0.001 A 7 PRO HDy H 1 4.033 0.001 A 7 PRO HDx H 1 3.493 0.002 A 7 PRO HG2 H 1 2.135 0.001 A 7 PRO HG3 H 1 2.135 0.001 A 8 ALA H H 1 8.717 0.000 A 8 ALA HA H 1 4.236 0.001 A 8 ALA HB% H 1 1.482 0.001 A 8 ALA N N 15 126.807 0.000 A 9 ALA H H 1 9.170 0.001 A 9 ALA HA H 1 4.078 0.000 A 9 ALA HB% H 1 1.463 0.001 A 9 ALA N N 15 118.081 0.000 A 10 THR H H 1 7.223 0.002 A 10 THR HA H 1 4.084 0.000 A 10 THR HB H 1 4.431 0.002 A 10 THR HG2% H 1 1.280 0.001 A 10 THR N N 15 115.857 0.000 A 11 CYS H H 1 8.417 0.001 A 11 CYS HA H 1 4.782 0.001 A 11 CYS HB2 H 1 2.923 0.003 A 11 CYS HB3 H 1 2.923 0.003 A 11 CYS N N 15 121.782 0.000 A 12 ARG H H 1 9.274 0.002 A 12 ARG HA H 1 3.900 0.000 A 12 ARG HB2 H 1 1.941 0.000 A 12 ARG HB3 H 1 1.941 0.000 A 12 ARG HDx H 1 3.161 0.000 A 12 ARG HDy H 1 3.263 0.000 A 12 ARG HE H 1 7.342 0.002 A 12 ARG HGx H 1 1.623 0.000 A 12 ARG HGy H 1 1.890 0.000 A 12 ARG N N 15 121.548 0.000 A 12 ARG NE N 15 84.2 0.000 A 13 HIS H H 1 7.810 0.002 A 13 HIS HA H 1 4.325 0.001 A 13 HIS HB2 H 1 3.358 0.001 A 13 HIS HB3 H 1 3.358 0.001 A 13 HIS HD2 H 1 7.310 0.002 A 13 HIS HE1 H 1 8.539 0.000 A 13 HIS N N 15 118.389 0.000 A 14 ALA H H 1 8.043 0.001 A 14 ALA HA H 1 3.747 0.001 A 14 ALA HB% H 1 0.846 0.001 A 14 ALA N N 15 121.489 0.000 A 15 LYS H H 1 8.052 0.001 A 15 LYS HA H 1 4.121 0.001 A 15 LYS HB2 H 1 1.927 0.000 A 15 LYS HB3 H 1 1.927 0.000 A 15 LYS HDy H 1 1.717 0.000 A 15 LYS HDx H 1 1.612 0.000 A 15 LYS HE2 H 1 3.004 0.001 A 15 LYS HE3 H 1 3.004 0.001 A 15 LYS HGy H 1 1.586 0.000 A 15 LYS HGx H 1 1.367 0.006 A 15 LYS HZ1 H 1 7.598 0.000 A 15 LYS HZ2 H 1 7.598 0.000 A 15 LYS HZ3 H 1 7.598 0.000 A 15 LYS N N 15 117.542 0.000 A 16 SER H H 1 7.910 0.002 A 16 SER HA H 1 4.208 0.000 A 16 SER HB2 H 1 3.979 0.000 A 16 SER HB3 H 1 3.979 0.000 A 16 SER N N 15 116.252 0.000 A 17 VAL H H 1 7.308 0.002 A 17 VAL HA H 1 4.497 0.001 A 17 VAL HB H 1 2.375 0.001 A 17 VAL HGx% H 1 0.615 0.001 A 17 VAL HGy% H 1 0.662 0.001 A 17 VAL N N 15 111.067 0.000 A 18 GLY H H 1 7.412 0.002 A 18 GLY HAy H 1 4.306 0.001 A 18 GLY HAx H 1 3.993 0.001 A 18 GLY N N 15 107.862 0.000 A 19 ASN H H 1 8.199 0.002 A 19 ASN HA H 1 5.034 0.001 A 19 ASN HB2 H 1 2.108 0.001 A 19 ASN HB3 H 1 2.815 0.001 A 19 ASN HD21 H 1 6.948 0.002 A 19 ASN HD22 H 1 7.044 0.001 A 19 ASN N N 15 116.561 0.000 A 19 ASN ND2 N 15 110.212 0.002 A 20 CYS H H 1 8.596 0.001 A 20 CYS HA H 1 4.544 0.000 A 20 CYS HB2 H 1 3.157 0.000 A 20 CYS HB3 H 1 3.075 0.000 A 20 CYS N N 15 117.445 0.000 A 21 SER H H 1 7.570 0.001 A 21 SER HA H 1 4.350 0.001 A 21 SER HBy H 1 4.042 0.000 A 21 SER HBx H 1 3.917 0.000 A 21 SER N N 15 110.829 0.000 A 22 SER H H 1 7.804 0.001 A 22 SER HA H 1 4.682 0.001 A 22 SER HB2 H 1 4.269 0.001 A 22 SER HB3 H 1 4.269 0.001 A 22 SER N N 15 118.168 0.000 A 23 GLU H H 1 9.182 0.001 A 23 GLU HA H 1 3.906 0.001 A 23 GLU HBx H 1 2.004 0.000 A 23 GLU HBy H 1 2.111 0.000 A 23 GLU HG2 H 1 2.321 0.002 A 23 GLU HG3 H 1 2.321 0.002 A 23 GLU N N 15 127.772 0.000 A 24 LYS H H 1 8.372 0.000 A 24 LYS HA H 1 3.836 0.001 A 24 LYS HBy H 1 1.813 0.001 A 24 LYS HBx H 1 1.327 0.002 A 24 LYS HD2 H 1 1.561 0.000 A 24 LYS HD3 H 1 1.561 0.001 A 24 LYS HEy H 1 2.873 0.000 A 24 LYS HEx H 1 2.809 0.000 A 24 LYS HGy H 1 1.104 0.001 A 24 LYS HGx H 1 0.477 0.002 A 24 LYS N N 15 116.967 0.000 A 25 TYR H H 1 7.133 0.002 A 25 TYR HA H 1 4.071 0.001 A 25 TYR HB2 H 1 3.094 0.001 A 25 TYR HB3 H 1 2.946 0.001 A 25 TYR HD1 H 1 7.247 0.000 A 25 TYR HD2 H 1 7.247 0.000 A 25 TYR HE1 H 1 6.876 0.002 A 25 TYR HE2 H 1 6.876 0.002 A 25 TYR N N 15 116.390 0.000 A 26 LYS H H 1 8.396 0.000 A 26 LYS HA H 1 3.680 0.001 A 26 LYS HBy H 1 1.825 0.000 A 26 LYS HBx H 1 1.674 0.000 A 26 LYS HD2 H 1 1.578 0.000 A 26 LYS HD3 H 1 1.578 0.000 A 26 LYS HE2 H 1 2.910 0.002 A 26 LYS HE3 H 1 2.910 0.002 A 26 LYS HG2 H 1 1.301 0.001 A 26 LYS HG3 H 1 1.301 0.001 A 26 LYS N N 15 122.952 0.000 A 27 ARG H H 1 7.711 0.001 A 27 ARG HA H 1 4.133 0.000 A 27 ARG HBy H 1 1.732 0.000 A 27 ARG HBx H 1 1.661 0.000 A 27 ARG HD2 H 1 3.101 0.000 A 27 ARG HD3 H 1 3.100 0.001 A 27 ARG HE H 1 7.496 0.001 A 27 ARG HGy H 1 1.639 0.000 A 27 ARG HGx H 1 1.520 0.000 A 27 ARG N N 15 111.907 0.000 A 27 ARG NE N 15 84.8 0.000 A 28 ASN H H 1 7.155 0.003 A 28 ASN HA H 1 4.551 0.001 A 28 ASN HB2 H 1 1.561 0.001 A 28 ASN HB3 H 1 0.863 0.001 A 28 ASN HD21 H 1 6.970 0.001 A 28 ASN HD22 H 1 7.149 0.001 A 28 ASN N N 15 113.566 0.000 A 28 ASN ND2 N 15 115.418 0.002 A 29 CYS H H 1 8.136 0.002 A 29 CYS HA H 1 5.283 0.002 A 29 CYS HB2 H 1 3.394 0.001 A 29 CYS HB3 H 1 3.182 0.001 A 29 CYS N N 15 123.561 0.000 A 30 ALA H H 1 9.155 0.002 A 30 ALA HA H 1 4.019 0.000 A 30 ALA HB% H 1 1.493 0.001 A 30 ALA N N 15 123.513 0.000 A 31 ILE H H 1 7.749 0.001 A 31 ILE HA H 1 4.085 0.000 A 31 ILE HB H 1 1.806 0.001 A 31 ILE HD1% H 1 0.798 0.002 A 31 ILE HG1y H 1 1.415 0.000 A 31 ILE HG1x H 1 1.119 0.003 A 31 ILE HG2% H 1 0.848 0.001 A 31 ILE N N 15 115.078 0.000 A 32 THR H H 1 9.922 0.001 A 32 THR HA H 1 3.795 0.001 A 32 THR HB H 1 3.991 0.000 A 32 THR HG2% H 1 1.052 0.002 A 32 THR N N 15 125.063 0.000 A 33 CYS H H 1 9.191 0.001 A 33 CYS HA H 1 4.853 0.003 A 33 CYS HB2 H 1 2.862 0.001 A 33 CYS HB3 H 1 3.298 0.002 A 33 CYS N N 15 113.570 0.000 A 34 GLY H H 1 7.716 0.002 A 34 GLY HA2 H 1 4.005 0.000 A 34 GLY HA3 H 1 4.005 0.000 A 34 GLY N N 15 110.701 0.000 A 35 ALA H H 1 8.821 0.001 A 35 ALA HA H 1 4.529 0.000 A 35 ALA HB% H 1 1.448 0.001 A 35 ALA N N 15 123.990 0.000 A 36 CYS H H 1 7.774 0.002 A 36 CYS HA H 1 4.373 0.000 A 36 CYS HB2 H 1 3.070 0.000 A 36 CYS HB3 H 1 3.225 0.000 A 36 CYS N N 15 119.195 0.000 stop_ save_ save_DYANA/DIANA_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_2 _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 31 ILE C A 32 THR N A 32 THR CA A 32 THR C 1.0 -40.0 270.0 PHI 2 2 A 10 THR C A 11 CYS N A 11 CYS CA A 11 CYS C 1.0 -40.0 270.0 PHI 3 3 A 25 TYR C A 26 LYS N A 26 LYS CA A 26 LYS C 1.0 -40.0 270.0 PHI 4 4 A 28 ASN C A 29 CYS N A 29 CYS CA A 29 CYS C 1.0 -80.0 200.0 PHI 5 5 A 4 ASP C A 5 VAL N A 5 VAL CA A 5 VAL C 1.0 -80.0 200.0 PHI 6 6 A 15 LYS C A 16 SER N A 16 SER CA A 16 SER C 1.0 -40.0 270.0 PHI 7 7 A 30 ALA C A 31 ILE N A 31 ILE CA A 31 ILE C 1.0 -80.0 200.0 PHI 8 8 A 28 ASN N A 28 ASN CA A 28 ASN CB A 28 ASN CG 1.0 0.0 240.0 CHI1 9 9 A 19 ASN N A 19 ASN CA A 19 ASN CB A 19 ASN CG 1.0 0.0 240.0 CHI1 10 10 A 33 CYS N A 33 CYS CA A 33 CYS CB A 33 CYS SG 1.0 0.0 240.0 CHI1 11 11 A 20 CYS N A 20 CYS CA A 20 CYS CB A 20 CYS SG 1.0 0.0 240.0 CHI1 12 12 A 4 ASP N A 4 ASP CA A 4 ASP CB A 4 ASP CG 1.0 0.0 240.0 CHI1 13 13 A 25 TYR N A 25 TYR CA A 25 TYR CB A 25 TYR CG 1.0 0.0 240.0 CHI1 14 14 A 29 CYS N A 29 CYS CA A 29 CYS CB A 29 CYS SG 1.0 0.0 240.0 CHI1 15 15 A 36 CYS N A 36 CYS CA A 36 CYS CB A 36 CYS SG 1.0 0.0 240.0 CHI1 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 . folded . . 2 ppm . . 13 . folded . . stop_ save_