data_nef_c18926_2m2q 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 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 19 CYS SG 1 7 CYS SG 1 21 CYS SG 1 15 CYS SG 1 31 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 CYS middle -HG . 3 A 3 ALA middle . . 4 A 4 GLY middle . false 5 A 5 LYS middle . . 6 A 6 SER middle . . 7 A 7 CYS middle -HG . 8 A 8 ASN middle . . 9 A 9 ILE middle . . 10 A 10 LEU middle . . 11 A 11 GLY middle . false 12 A 12 SER middle . . 13 A 13 ASP middle . . 14 A 14 PRO middle . false 15 A 15 CYS middle -HG . 16 A 16 ASP middle . . 17 A 17 ALA middle . . 18 A 18 GLY middle . false 19 A 19 CYS middle -HG . 20 A 20 PHE middle . . 21 A 21 CYS middle -HG . 22 A 22 LEU middle . . 23 A 23 PRO middle . false 24 A 24 VAL middle . . 25 A 25 GLY middle . false 26 A 26 ILE middle . . 27 A 27 VAL middle . . 28 A 28 ALA middle . . 29 A 29 GLY middle . false 30 A 30 VAL middle . . 31 A 31 CYS middle -HG . 32 A 32 VAL end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_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 HA2 H 1 3.977 0.010 A 1 GLY HA3 H 1 3.977 0.010 A 2 CYS H H 1 8.622 0.010 A 2 CYS HA H 1 4.725 0.010 A 2 CYS HB2 H 1 2.888 0.010 A 2 CYS HB3 H 1 3.328 0.010 A 3 ALA H H 1 8.124 0.010 A 3 ALA HA H 1 3.964 0.010 A 3 ALA HB% H 1 1.460 0.010 A 4 GLY H H 1 9.234 0.010 A 4 GLY HA2 H 1 3.501 0.010 A 4 GLY HA3 H 1 4.412 0.010 A 5 LYS H H 1 6.842 0.010 A 5 LYS HA H 1 4.408 0.010 A 5 LYS HB2 H 1 1.767 0.010 A 5 LYS HB3 H 1 1.755 0.010 A 5 LYS HE2 H 1 3.168 0.010 A 5 LYS HE3 H 1 3.168 0.010 A 5 LYS HG2 H 1 1.644 0.010 A 5 LYS HG3 H 1 1.944 0.010 A 6 SER H H 1 8.575 0.010 A 6 SER HA H 1 4.785 0.010 A 6 SER HB2 H 1 4.084 0.010 A 6 SER HB3 H 1 4.084 0.010 A 7 CYS H H 1 8.023 0.010 A 7 CYS HA H 1 5.094 0.010 A 7 CYS HB2 H 1 3.168 0.010 A 7 CYS HB3 H 1 3.312 0.010 A 8 ASN H H 1 8.496 0.010 A 8 ASN HA H 1 5.068 0.010 A 8 ASN HB2 H 1 3.020 0.010 A 8 ASN HB3 H 1 3.080 0.010 A 8 ASN HD21 H 1 7.665 0.010 A 8 ASN HD22 H 1 7.109 0.010 A 9 ILE H H 1 8.298 0.010 A 9 ILE HA H 1 4.485 0.010 A 9 ILE HB H 1 2.322 0.010 A 10 LEU H H 1 8.291 0.010 A 10 LEU HA H 1 4.461 0.010 A 10 LEU HB2 H 1 1.771 0.010 A 10 LEU HB3 H 1 1.771 0.010 A 10 LEU HD1% H 1 1.040 0.010 A 10 LEU HD2% H 1 0.947 0.010 A 10 LEU HG H 1 1.688 0.010 A 11 GLY H H 1 7.943 0.010 A 11 GLY HA2 H 1 3.852 0.010 A 11 GLY HA3 H 1 4.414 0.010 A 12 SER H H 1 7.679 0.010 A 12 SER HA H 1 4.602 0.010 A 12 SER HB2 H 1 3.878 0.010 A 12 SER HB3 H 1 4.170 0.010 A 13 ASP H H 1 8.288 0.010 A 13 ASP HA H 1 5.099 0.010 A 13 ASP HBx H 1 2.700 0.010 A 13 ASP HBy H 1 2.882 0.010 A 14 PRO HA H 1 4.748 0.010 A 14 PRO HB2 H 1 2.418 0.010 A 14 PRO HB3 H 1 2.179 0.010 A 14 PRO HD2 H 1 3.517 0.010 A 14 PRO HD3 H 1 3.748 0.010 A 14 PRO HG2 H 1 1.989 0.010 A 14 PRO HG3 H 1 2.088 0.010 A 15 CYS H H 1 8.626 0.010 A 15 CYS HA H 1 4.727 0.010 A 15 CYS HB2 H 1 2.608 0.010 A 15 CYS HB3 H 1 2.980 0.010 A 16 ASP H H 1 8.782 0.010 A 16 ASP HA H 1 4.725 0.010 A 16 ASP HBx H 1 2.721 0.010 A 16 ASP HBy H 1 3.113 0.010 A 17 ALA H H 1 8.142 0.010 A 17 ALA HA H 1 4.209 0.010 A 17 ALA HB% H 1 1.463 0.010 A 18 GLY H H 1 8.691 0.010 A 18 GLY HA2 H 1 3.715 0.010 A 18 GLY HA3 H 1 4.486 0.010 A 19 CYS H H 1 8.027 0.010 A 19 CYS HA H 1 5.527 0.010 A 19 CYS HB2 H 1 2.772 0.010 A 19 CYS HB3 H 1 3.133 0.010 A 20 PHE H H 1 8.387 0.010 A 20 PHE HA H 1 4.987 0.010 A 20 PHE HB2 H 1 3.052 0.010 A 20 PHE HB3 H 1 3.160 0.010 A 20 PHE HD1 H 1 7.189 0.010 A 20 PHE HD2 H 1 7.336 0.010 A 21 CYS H H 1 8.895 0.010 A 21 CYS HA H 1 4.612 0.010 A 21 CYS HB2 H 1 2.970 0.010 A 21 CYS HB3 H 1 2.970 0.010 A 22 LEU H H 1 9.023 0.010 A 22 LEU HA H 1 4.953 0.010 A 22 LEU HB2 H 1 1.412 0.010 A 22 LEU HB3 H 1 2.241 0.010 A 22 LEU HD1% H 1 1.660 0.010 A 22 LEU HD2% H 1 0.941 0.010 A 22 LEU HG H 1 1.166 0.010 A 23 PRO HA H 1 4.597 0.010 A 23 PRO HB2 H 1 2.293 0.010 A 23 PRO HB3 H 1 2.293 0.010 A 23 PRO HD2 H 1 3.860 0.010 A 23 PRO HD3 H 1 3.860 0.010 A 23 PRO HG2 H 1 2.038 0.010 A 23 PRO HG3 H 1 2.187 0.010 A 24 VAL H H 1 8.829 0.010 A 24 VAL HA H 1 4.439 0.010 A 24 VAL HB H 1 2.262 0.010 A 24 VAL HG1% H 1 1.022 0.010 A 24 VAL HG2% H 1 0.921 0.010 A 25 GLY H H 1 8.070 0.010 A 25 GLY HA2 H 1 4.056 0.010 A 25 GLY HA3 H 1 4.278 0.010 A 26 ILE H H 1 8.317 0.010 A 26 ILE HA H 1 4.070 0.010 A 26 ILE HB H 1 2.128 0.010 A 26 ILE HD1% H 1 1.038 0.010 A 26 ILE HG12 H 1 1.376 0.010 A 26 ILE HG13 H 1 1.678 0.010 A 26 ILE HG2% H 1 1.111 0.010 A 27 VAL H H 1 8.045 0.010 A 27 VAL HA H 1 4.531 0.010 A 27 VAL HB H 1 2.328 0.010 A 27 VAL HG1% H 1 1.024 0.010 A 27 VAL HG2% H 1 1.024 0.010 A 28 ALA H H 1 7.707 0.010 A 28 ALA HA H 1 4.867 0.010 A 28 ALA HB% H 1 1.579 0.010 A 29 GLY H H 1 8.317 0.010 A 29 GLY HA2 H 1 3.939 0.010 A 29 GLY HA3 H 1 4.857 0.010 A 30 VAL H H 1 8.832 0.010 A 30 VAL HA H 1 4.840 0.010 A 30 VAL HB H 1 1.864 0.010 A 30 VAL HG1% H 1 0.938 0.010 A 30 VAL HG2% H 1 0.938 0.010 A 31 CYS H H 1 9.092 0.010 A 31 CYS HA H 1 5.030 0.010 A 31 CYS HB2 H 1 2.698 0.010 A 31 CYS HB3 H 1 3.162 0.010 A 32 VAL H H 1 9.171 0.010 A 32 VAL HA H 1 4.553 0.010 A 32 VAL HB H 1 1.885 0.010 A 32 VAL HG1% H 1 0.961 0.010 A 32 VAL HG2% H 1 0.689 0.010 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 CYS C A 32 VAL N A 32 VAL CA A 32 VAL C 1.0 -135.0 -105.0 PHI 2 2 A 30 VAL C A 31 CYS N A 31 CYS CA A 31 CYS C 1.0 -80.0 -50.0 PHI 3 3 A 21 CYS C A 22 LEU N A 22 LEU CA A 22 LEU C 1.0 -150.0 -90.0 PHI 4 4 A 19 CYS C A 20 PHE N A 20 PHE CA A 20 PHE C 1.0 -150.0 -90.0 PHI 5 5 A 1 GLY C A 2 CYS N A 2 CYS CA A 2 CYS C 1.0 -80.0 -50.0 PHI 6 6 A 16 ASP C A 17 ALA N A 17 ALA CA A 17 ALA C 1.0 -80.0 -50.0 PHI 7 7 A 15 CYS C A 16 ASP N A 16 ASP CA A 16 ASP C 1.0 -80.0 -50.0 PHI 8 8 A 18 GLY C A 19 CYS N A 19 CYS CA A 19 CYS C 1.0 -150.0 -90.0 PHI 9 9 A 2 CYS C A 3 ALA N A 3 ALA CA A 3 ALA C 1.0 -80.0 -50.0 PHI 10 10 A 19 CYS N A 19 CYS CA A 19 CYS CB A 19 CYS SG 1.0 -90.0 -30.0 CHI1 11 11 A 15 CYS N A 15 CYS CA A 15 CYS CB A 15 CYS SG 1.0 -90.0 -30.0 CHI1 12 12 A 16 ASP N A 16 ASP CA A 16 ASP CB A 16 ASP CG 1.0 -90.0 -30.0 CHI1 13 13 A 31 CYS N A 31 CYS CA A 31 CYS CB A 31 CYS SG 1.0 -90.0 -30.0 CHI1 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _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 CYS C A 32 VAL N A 32 VAL CA A 32 VAL C 1.0 -135.0 -105.0 PHI 2 2 A 30 VAL C A 31 CYS N A 31 CYS CA A 31 CYS C 1.0 -80.0 -50.0 PHI 3 3 A 21 CYS C A 22 LEU N A 22 LEU CA A 22 LEU C 1.0 -150.0 -90.0 PHI 4 4 A 19 CYS C A 20 PHE N A 20 PHE CA A 20 PHE C 1.0 -150.0 -90.0 PHI 5 5 A 1 GLY C A 2 CYS N A 2 CYS CA A 2 CYS C 1.0 -80.0 -50.0 PHI 6 6 A 16 ASP C A 17 ALA N A 17 ALA CA A 17 ALA C 1.0 -80.0 -50.0 PHI 7 7 A 15 CYS C A 16 ASP N A 16 ASP CA A 16 ASP C 1.0 -80.0 -50.0 PHI 8 8 A 18 GLY C A 19 CYS N A 19 CYS CA A 19 CYS C 1.0 -150.0 -90.0 PHI 9 9 A 2 CYS C A 3 ALA N A 3 ALA CA A 3 ALA C 1.0 -80.0 -50.0 PHI 10 10 A 18 GLY N A 19 CYS CA A 19 CYS CB A 19 CYS SG 1.0 -90.0 -30.0 . 11 11 A 14 PRO N A 15 CYS CA A 15 CYS CB A 15 CYS SG 1.0 -90.0 -30.0 . 12 12 A 30 VAL N A 31 CYS CA A 31 CYS CB A 31 CYS SG 1.0 -90.0 -30.0 . stop_ save_