data_nef_c19813_2mld 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 2MLD 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 7 CYS SG 1 27 CYS SG 1 13 CYS SG 1 32 CYS SG 1 17 CYS SG 1 34 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 VAL start . . 2 A 2 GLY middle . false 3 A 3 ILE middle . . 4 A 4 ASN middle . . 5 A 5 VAL middle . . 6 A 6 ASP middle . . 7 A 7 CYS middle -HG . 8 A 8 LYS middle . . 9 A 9 HIS middle . . 10 A 10 SER middle . . 11 A 11 GLY middle . false 12 A 12 GLN middle . . 13 A 13 CYS middle -HG . 14 A 14 LEU middle . . 15 A 15 LYS middle . . 16 A 16 PRO middle . false 17 A 17 CYS middle -HG . 18 A 18 LYS middle . . 19 A 19 LYS middle . . 20 A 20 ALA middle . . 21 A 21 GLY middle . false 22 A 22 MET middle . . 23 A 23 ARG middle . . 24 A 24 PHE middle . . 25 A 25 GLY middle . false 26 A 26 LYS middle . . 27 A 27 CYS middle -HG . 28 A 28 ILE middle . . 29 A 29 ASN middle . . 30 A 30 GLY middle . false 31 A 31 LYS middle . . 32 A 32 CYS middle -HG . 33 A 33 ASP middle . . 34 A 34 CYS middle -HG . 35 A 35 THR middle . . 36 A 36 PRO middle . false 37 A 37 LYS 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 VAL HA H 1 3.627 0.004 A 1 VAL HB H 1 1.982 0.002 A 1 VAL HG1% H 1 1.044 0.001 A 1 VAL HG2% H 1 0.890 0.004 A 2 GLY H H 1 9.090 0.001 A 2 GLY HAy H 1 4.578 0.006 A 2 GLY HAx H 1 3.784 0.000 A 3 ILE H H 1 8.120 0.003 A 3 ILE HA H 1 4.640 0.001 A 3 ILE HB H 1 1.942 0.001 A 3 ILE HD1% H 1 0.588 0.001 A 3 ILE HG1x H 1 0.998 0.003 A 3 ILE HG2% H 1 0.744 0.003 A 4 ASN H H 1 8.860 0.001 A 4 ASN HA H 1 4.643 0.000 A 4 ASN HBy H 1 2.951 0.001 A 4 ASN HBx H 1 2.569 0.001 A 4 ASN HD2y H 1 7.577 0.001 A 4 ASN HD2x H 1 6.865 0.000 A 5 VAL H H 1 7.507 0.002 A 5 VAL HA H 1 4.101 0.009 A 5 VAL HB H 1 1.249 0.003 A 5 VAL HGx% H 1 0.896 0.004 A 5 VAL HGy% H 1 0.818 0.002 A 6 ASP H H 1 8.417 0.001 A 6 ASP HA H 1 5.086 0.000 A 6 ASP HBy H 1 2.647 0.001 A 6 ASP HBx H 1 2.460 0.001 A 7 CYS H H 1 8.162 0.003 A 7 CYS HA H 1 4.587 0.000 A 7 CYS HBy H 1 2.937 0.004 A 7 CYS HBx H 1 2.721 0.001 A 8 LYS H H 1 8.953 0.002 A 8 LYS HA H 1 4.322 0.001 A 8 LYS HBy H 1 1.549 0.002 A 8 LYS HBx H 1 1.493 0.001 A 8 LYS HD2 H 1 1.548 0.002 A 8 LYS HD3 H 1 1.548 0.001 A 8 LYS HEy H 1 3.278 0.000 A 8 LYS HEx H 1 3.145 0.000 A 8 LYS HGy H 1 1.341 0.000 A 8 LYS HGx H 1 1.259 0.000 A 9 HIS H H 1 8.082 0.001 A 9 HIS HA H 1 5.065 0.002 A 9 HIS HBy H 1 3.521 0.008 A 9 HIS HBx H 1 3.009 0.001 A 9 HIS HE1 H 1 7.123 0.002 A 10 SER H H 1 9.928 0.001 A 10 SER HA H 1 4.778 0.002 A 10 SER HBy H 1 4.106 0.005 A 10 SER HBx H 1 3.952 0.000 A 11 GLY HAy H 1 3.989 0.000 A 11 GLY HAx H 1 3.873 0.001 A 12 GLN H H 1 7.440 0.001 A 12 GLN HA H 1 4.234 0.010 A 12 GLN HB2 H 1 2.368 0.004 A 12 GLN HB3 H 1 2.368 0.004 A 12 GLN HE2y H 1 7.778 0.001 A 12 GLN HE2x H 1 7.060 0.001 A 12 GLN HGy H 1 2.493 0.003 A 12 GLN HGx H 1 2.202 0.006 A 13 CYS H H 1 8.033 0.003 A 13 CYS HA H 1 4.698 0.001 A 13 CYS HBy H 1 3.039 0.003 A 13 CYS HBx H 1 2.575 0.004 A 14 LEU H H 1 7.060 0.001 A 14 LEU HA H 1 4.130 0.001 A 14 LEU HBy H 1 1.793 0.003 A 14 LEU HBx H 1 1.670 0.006 A 14 LEU HD1% H 1 0.996 0.001 A 14 LEU HD2% H 1 0.863 0.002 A 15 LYS H H 1 9.022 0.002 A 15 LYS HA H 1 4.199 0.005 A 15 LYS HBy H 1 1.879 0.007 A 15 LYS HBx H 1 1.845 0.003 A 15 LYS HD2 H 1 1.669 0.000 A 15 LYS HD3 H 1 1.669 0.000 A 15 LYS HE2 H 1 2.961 0.001 A 15 LYS HE3 H 1 2.961 0.001 A 15 LYS HGx H 1 1.355 0.003 A 15 LYS HGy H 1 1.530 0.003 A 16 PRO HA H 1 4.187 0.004 A 16 PRO HB2 H 1 1.658 0.001 A 16 PRO HB3 H 1 1.658 0.001 A 16 PRO HDy H 1 3.614 0.004 A 16 PRO HDx H 1 3.534 0.005 A 16 PRO HGy H 1 2.274 0.004 A 16 PRO HGx H 1 2.060 0.002 A 17 CYS H H 1 7.937 0.002 A 17 CYS HA H 1 4.402 0.000 A 17 CYS HBy H 1 3.034 0.000 A 17 CYS HBx H 1 2.289 0.003 A 18 LYS H H 1 7.812 0.001 A 18 LYS HA H 1 4.250 0.002 A 18 LYS HB2 H 1 1.878 0.002 A 18 LYS HB3 H 1 1.878 0.002 A 18 LYS HD2 H 1 1.645 0.000 A 18 LYS HD3 H 1 1.645 0.000 A 18 LYS HE2 H 1 2.946 0.000 A 18 LYS HE3 H 1 2.946 0.000 A 18 LYS HGy H 1 1.526 0.000 A 18 LYS HGx H 1 1.382 0.005 A 19 LYS H H 1 8.481 0.001 A 19 LYS HA H 1 4.008 0.005 A 19 LYS HBy H 1 1.889 0.003 A 19 LYS HBx H 1 1.817 0.001 A 19 LYS HD2 H 1 1.614 0.000 A 19 LYS HD3 H 1 1.614 0.000 A 19 LYS HE2 H 1 2.922 0.000 A 19 LYS HE3 H 1 2.922 0.000 A 19 LYS HGy H 1 1.500 0.002 A 19 LYS HGx H 1 1.430 0.000 A 20 ALA H H 1 7.327 0.001 A 20 ALA HA H 1 4.390 0.006 A 20 ALA HB% H 1 1.464 0.003 A 21 GLY H H 1 7.912 0.001 A 21 GLY HAy H 1 4.097 0.000 A 21 GLY HAx H 1 3.803 0.001 A 22 MET H H 1 8.041 0.005 A 22 MET HA H 1 4.513 0.000 A 22 MET HBy H 1 2.051 0.003 A 22 MET HBx H 1 1.666 0.002 A 22 MET HGy H 1 2.420 0.002 A 22 MET HGx H 1 2.226 0.004 A 23 ARG H H 1 8.476 0.002 A 23 ARG HA H 1 4.420 0.002 A 23 ARG HBy H 1 1.269 0.002 A 23 ARG HBx H 1 1.199 0.002 A 23 ARG HDy H 1 2.778 0.004 A 23 ARG HDx H 1 2.725 0.004 A 23 ARG HGy H 1 1.125 0.004 A 23 ARG HGx H 1 0.959 0.003 A 23 ARG HH21 H 1 6.795 0.001 A 23 ARG HH22 H 1 6.795 0.001 A 24 PHE H H 1 8.155 0.001 A 24 PHE HA H 1 4.315 0.005 A 24 PHE HBy H 1 3.260 0.003 A 24 PHE HBx H 1 3.142 0.001 A 24 PHE HEy H 1 7.300 0.002 A 24 PHE HEx H 1 7.144 0.003 A 25 GLY H H 1 8.036 0.001 A 25 GLY HAy H 1 4.614 0.002 A 25 GLY HAx H 1 3.884 0.003 A 26 LYS H H 1 8.982 0.007 A 26 LYS HA H 1 4.575 0.000 A 26 LYS HB2 H 1 1.709 0.003 A 26 LYS HB3 H 1 1.709 0.003 A 26 LYS HD2 H 1 1.709 0.000 A 26 LYS HD3 H 1 1.709 0.000 A 26 LYS HE2 H 1 2.888 0.000 A 26 LYS HE3 H 1 2.888 0.000 A 26 LYS HG2 H 1 1.351 0.004 A 26 LYS HG3 H 1 1.351 0.004 A 27 CYS H H 1 8.743 0.003 A 27 CYS HA H 1 4.768 0.005 A 27 CYS HBy H 1 2.832 0.004 A 27 CYS HBx H 1 2.235 0.001 A 28 ILE H H 1 8.839 0.004 A 28 ILE HA H 1 4.286 0.000 A 28 ILE HB H 1 1.728 0.005 A 28 ILE HD1% H 1 0.742 0.002 A 28 ILE HG1y H 1 1.375 0.003 A 28 ILE HG1x H 1 0.958 0.005 A 28 ILE HG2% H 1 0.806 0.003 A 29 ASN H H 1 9.399 0.001 A 29 ASN HA H 1 4.290 0.002 A 29 ASN HBy H 1 3.023 0.001 A 29 ASN HBx H 1 2.725 0.000 A 29 ASN HD2y H 1 7.633 0.002 A 29 ASN HD2x H 1 6.873 0.001 A 30 GLY H H 1 8.154 0.000 A 30 GLY HA2 H 1 4.023 0.001 A 30 GLY HA3 H 1 4.023 0.001 A 31 LYS H H 1 7.633 0.004 A 31 LYS HA H 1 5.364 0.000 A 31 LYS HBy H 1 1.891 0.000 A 31 LYS HBx H 1 1.778 0.000 A 31 LYS HD2 H 1 1.464 0.000 A 31 LYS HD3 H 1 1.464 0.000 A 31 LYS HE2 H 1 2.928 0.000 A 31 LYS HE3 H 1 2.928 0.000 A 31 LYS HG2 H 1 1.407 0.000 A 31 LYS HG3 H 1 1.407 0.000 A 32 CYS H H 1 8.315 0.001 A 32 CYS HA H 1 4.915 0.001 A 32 CYS HBy H 1 2.601 0.004 A 32 CYS HBx H 1 2.418 0.001 A 33 ASP H H 1 9.453 0.003 A 33 ASP HA H 1 5.091 0.002 A 33 ASP HBy H 1 2.631 0.003 A 33 ASP HBx H 1 2.344 0.007 A 34 CYS H H 1 8.992 0.006 A 34 CYS HA H 1 5.188 0.000 A 34 CYS HBy H 1 2.963 0.002 A 34 CYS HBx H 1 2.684 0.002 A 35 THR H H 1 8.676 0.003 A 35 THR HA H 1 4.881 0.000 A 35 THR HB H 1 3.836 0.004 A 35 THR HG2% H 1 1.380 0.002 A 36 PRO HA H 1 4.312 0.005 A 36 PRO HBy H 1 2.295 0.005 A 36 PRO HBx H 1 1.964 0.005 A 36 PRO HDy H 1 3.951 0.005 A 36 PRO HDx H 1 3.817 0.006 A 36 PRO HGy H 1 2.062 0.005 A 36 PRO HGx H 1 1.943 0.010 A 37 LYS H H 1 8.272 0.003 A 37 LYS HA H 1 3.800 0.002 A 37 LYS HB2 H 1 1.670 0.003 A 37 LYS HB3 H 1 1.670 0.003 A 37 LYS HD2 H 1 1.300 0.000 A 37 LYS HD3 H 1 1.300 0.000 A 37 LYS HE2 H 1 2.839 0.000 A 37 LYS HE3 H 1 2.839 0.000 A 37 LYS HG2 H 1 1.242 0.000 A 37 LYS HG3 H 1 1.242 0.000 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-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 ILE H A 32 CYS O 1.0 1.8 2.3 2 2 A 32 CYS O A 3 ILE N 1.0 2.8 3.3 3 3 A 7 CYS H A 30 GLY O 1.0 1.8 2.3 4 4 A 30 GLY O A 7 CYS N 1.0 2.8 3.3 5 5 A 12 GLN H A 9 HIS O 1.0 1.8 2.3 6 6 A 9 HIS O A 12 GLN N 1.0 2.8 3.3 7 7 A 13 CYS H A 10 SER O 1.0 1.8 2.3 8 8 A 10 SER O A 13 CYS N 1.0 2.8 3.3 9 9 A 17 CYS H A 13 CYS O 1.0 1.8 2.3 10 10 A 13 CYS O A 17 CYS N 1.0 2.8 3.3 11 11 A 18 LYS H A 14 LEU O 1.0 1.8 2.3 12 12 A 14 LEU O A 18 LYS N 1.0 2.8 3.3 13 13 A 20 ALA H A 16 PRO O 1.0 1.8 2.3 14 14 A 16 PRO O A 20 ALA N 1.0 2.8 3.3 15 15 A 21 GLY H A 17 CYS O 1.0 1.8 2.3 16 16 A 17 CYS O A 21 GLY N 1.0 2.8 3.3 17 17 A 17 CYS O A 22 MET H 1.0 1.8 2.3 18 18 A 17 CYS O A 22 MET N 1.0 2.8 3.3 19 19 A 23 ARG H A 35 THR O 1.0 1.8 2.3 20 20 A 35 THR O A 23 ARG N 1.0 2.8 3.3 21 21 A 26 LYS H A 33 ASP O 1.0 1.8 2.3 22 22 A 33 ASP O A 26 LYS N 1.0 2.8 3.3 23 23 A 28 ILE H A 31 LYS O 1.0 1.8 2.3 24 24 A 31 LYS O A 28 ILE N 1.0 2.8 3.3 25 25 A 32 CYS H A 3 ILE O 1.0 1.8 2.3 26 26 A 3 ILE O A 32 CYS N 1.0 2.8 3.3 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 6 ASP C A 7 CYS N A 7 CYS CA A 7 CYS C 1.0 -90.0 -40.0 PHI 2 2 A 7 CYS C A 8 LYS N A 8 LYS CA A 8 LYS C 1.0 -90.0 -40.0 PHI 3 3 A 9 HIS C A 10 SER N A 10 SER CA A 10 SER C 1.0 -90.0 -40.0 PHI 4 4 A 11 GLY C A 12 GLN N A 12 GLN CA A 12 GLN C 1.0 -90.0 -40.0 PHI 5 5 A 12 GLN C A 13 CYS N A 13 CYS CA A 13 CYS C 1.0 -90.0 -40.0 PHI 6 6 A 13 CYS C A 14 LEU N A 14 LEU CA A 14 LEU C 1.0 -90.0 -40.0 PHI 7 7 A 14 LEU C A 15 LYS N A 15 LYS CA A 15 LYS C 1.0 -90.0 -40.0 PHI 8 8 A 16 PRO C A 17 CYS N A 17 CYS CA A 17 CYS C 1.0 -90.0 -40.0 PHI 9 9 A 17 CYS C A 18 LYS N A 18 LYS CA A 18 LYS C 1.0 -90.0 -40.0 PHI 10 10 A 18 LYS C A 19 LYS N A 19 LYS CA A 19 LYS C 1.0 -90.0 -40.0 PHI 11 11 A 19 LYS C A 20 ALA N A 20 ALA CA A 20 ALA C 1.0 -90.0 -40.0 PHI 12 12 A 25 GLY C A 26 LYS N A 26 LYS CA A 26 LYS C 1.0 -145.0 -95.0 PHI 13 13 A 26 LYS C A 27 CYS N A 27 CYS CA A 27 CYS C 1.0 -160.0 -80.0 PHI 14 14 A 27 CYS C A 28 ILE N A 28 ILE CA A 28 ILE C 1.0 -160.0 -80.0 PHI 15 15 A 28 ILE C A 29 ASN N A 29 ASN CA A 29 ASN C 1.0 -90.0 -40.0 PHI 16 16 A 30 GLY C A 31 LYS N A 31 LYS CA A 31 LYS C 1.0 -120.0 -40.0 PHI 17 17 A 31 LYS C A 32 CYS N A 32 CYS CA A 32 CYS C 1.0 -160.0 -80.0 PHI 18 18 A 32 CYS C A 33 ASP N A 33 ASP CA A 33 ASP C 1.0 -160.0 -80.0 PHI 19 19 A 33 ASP C A 34 CYS N A 34 CYS CA A 34 CYS C 1.0 -160.0 -80.0 PHI 20 20 A 34 CYS C A 35 THR N A 35 THR CA A 35 THR C 1.0 -160.0 -80.0 PHI 21 21 A 36 PRO C A 37 LYS N A 37 LYS CA A 37 LYS C 1.0 -90.0 -40.0 PHI stop_ save_