data_nef_c19810_2mla 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 2MLA 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 LYS 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 3.643 0.003 A 1 VAL HB H 1 1.990 0.004 A 1 VAL HG1% H 1 1.058 0.002 A 1 VAL HG2% H 1 0.902 0.002 A 2 GLY H H 1 9.115 0.004 A 2 GLY HAy H 1 4.594 0.009 A 2 GLY HAx H 1 3.796 0.002 A 3 ILE H H 1 8.105 0.006 A 3 ILE HA H 1 4.668 0.001 A 3 ILE HB H 1 1.933 0.001 A 3 ILE HD1% H 1 0.599 0.001 A 3 ILE HG1y H 1 1.027 0.002 A 3 ILE HG1x H 1 0.991 0.001 A 3 ILE HG2% H 1 0.759 0.001 A 4 ASN H H 1 8.843 0.001 A 4 ASN HA H 1 4.683 0.002 A 4 ASN HBy H 1 2.955 0.003 A 4 ASN HBx H 1 2.605 0.001 A 4 ASN HD2y H 1 7.618 0.003 A 4 ASN HD2x H 1 6.889 0.002 A 5 VAL H H 1 7.632 0.006 A 5 VAL HA H 1 4.122 0.003 A 5 VAL HB H 1 1.282 0.003 A 5 VAL HG1% H 1 0.903 0.001 A 5 VAL HG2% H 1 0.833 0.002 A 6 LYS H H 1 8.497 0.001 A 6 LYS HA H 1 4.771 0.009 A 6 LYS HBy H 1 1.818 0.004 A 6 LYS HBx H 1 1.684 0.001 A 6 LYS HD2 H 1 1.529 0.001 A 6 LYS HD3 H 1 1.529 0.001 A 6 LYS HE2 H 1 2.963 0.002 A 6 LYS HE3 H 1 2.963 0.002 A 6 LYS HG2 H 1 1.382 0.004 A 6 LYS HG3 H 1 1.382 0.004 A 7 CYS H H 1 8.063 0.008 A 7 CYS HA H 1 4.608 0.002 A 7 CYS HBy H 1 2.957 0.002 A 7 CYS HBx H 1 2.702 0.001 A 8 LYS H H 1 8.962 0.008 A 8 LYS HA H 1 4.332 0.003 A 8 LYS HBy H 1 1.561 0.003 A 8 LYS HBx H 1 1.513 0.004 A 8 LYS HD2 H 1 1.634 0.002 A 8 LYS HD3 H 1 1.634 0.002 A 8 LYS HE2 H 1 2.931 0.001 A 8 LYS HE3 H 1 2.931 0.001 A 8 LYS HGy H 1 1.330 0.001 A 8 LYS HGx H 1 1.247 0.004 A 9 HIS H H 1 8.069 0.007 A 9 HIS HA H 1 5.086 0.001 A 9 HIS HBy H 1 3.529 0.002 A 9 HIS HBx H 1 3.022 0.001 A 9 HIS HD1 H 1 8.444 0.001 A 9 HIS HE1 H 1 7.133 0.002 A 10 SER H H 1 9.947 0.006 A 10 SER HA H 1 4.790 0.002 A 10 SER HBy H 1 4.118 0.001 A 10 SER HBx H 1 3.961 0.002 A 11 GLY HAy H 1 4.003 0.003 A 11 GLY HAx H 1 3.893 0.004 A 12 GLN H H 1 7.448 0.002 A 12 GLN HA H 1 4.234 0.004 A 12 GLN HBy H 1 2.369 0.004 A 12 GLN HBx H 1 2.207 0.003 A 12 GLN HE2y H 1 7.797 0.001 A 12 GLN HE2x H 1 7.049 0.001 A 12 GLN HG2 H 1 2.502 0.001 A 12 GLN HG3 H 1 2.502 0.001 A 13 CYS H H 1 8.045 0.005 A 13 CYS HA H 1 4.707 0.001 A 13 CYS HBy H 1 3.046 0.001 A 13 CYS HBx H 1 2.592 0.001 A 14 LEU H H 1 7.068 0.005 A 14 LEU HA H 1 4.139 0.004 A 14 LEU HBy H 1 1.808 0.003 A 14 LEU HBx H 1 1.686 0.001 A 14 LEU HD1% H 1 1.010 0.001 A 14 LEU HD2% H 1 0.874 0.001 A 15 LYS H H 1 9.046 0.001 A 15 LYS HA H 1 4.206 0.001 A 15 LYS HBy H 1 1.885 0.005 A 15 LYS HBx H 1 1.855 0.002 A 15 LYS HD2 H 1 1.702 0.001 A 15 LYS HD3 H 1 1.702 0.001 A 15 LYS HE2 H 1 2.974 0.001 A 15 LYS HE3 H 1 2.974 0.001 A 15 LYS HGx H 1 1.369 0.003 A 15 LYS HGy H 1 1.544 0.001 A 16 PRO HA H 1 4.199 0.001 A 16 PRO HB2 H 1 1.668 0.001 A 16 PRO HB3 H 1 1.668 0.005 A 16 PRO HDy H 1 3.623 0.004 A 16 PRO HDx H 1 3.535 0.001 A 16 PRO HGy H 1 2.287 0.003 A 16 PRO HGx H 1 2.072 0.001 A 17 CYS H H 1 7.954 0.003 A 17 CYS HA H 1 4.412 0.001 A 17 CYS HBy H 1 3.048 0.001 A 17 CYS HBx H 1 2.295 0.005 A 18 LYS H H 1 7.828 0.001 A 18 LYS HA H 1 4.266 0.001 A 18 LYS HBy H 1 1.931 0.005 A 18 LYS HBx H 1 1.884 0.001 A 18 LYS HD2 H 1 1.655 0.004 A 18 LYS HD3 H 1 1.655 0.004 A 18 LYS HE2 H 1 2.946 0.001 A 18 LYS HE3 H 1 2.946 0.001 A 18 LYS HGy H 1 1.537 0.004 A 18 LYS HGx H 1 1.390 0.001 A 19 LYS H H 1 8.499 0.001 A 19 LYS HA H 1 4.021 0.002 A 19 LYS HBy H 1 1.897 0.004 A 19 LYS HBx H 1 1.828 0.003 A 19 LYS HD2 H 1 1.639 0.001 A 19 LYS HD3 H 1 1.639 0.001 A 19 LYS HE2 H 1 2.937 0.001 A 19 LYS HE3 H 1 2.937 0.001 A 19 LYS HGy H 1 1.526 0.003 A 19 LYS HGx H 1 1.444 0.003 A 20 ALA H H 1 7.339 0.003 A 20 ALA HA H 1 4.403 0.004 A 20 ALA HB% H 1 1.477 0.001 A 21 GLY H H 1 7.925 0.001 A 21 GLY HAy H 1 4.125 0.005 A 21 GLY HAx H 1 3.813 0.011 A 22 MET H H 1 8.058 0.007 A 22 MET HA H 1 4.525 0.002 A 22 MET HBy H 1 2.066 0.001 A 22 MET HBx H 1 1.678 0.004 A 22 MET HGy H 1 2.436 0.002 A 22 MET HGx H 1 2.240 0.003 A 23 ARG H H 1 8.488 0.003 A 23 ARG HA H 1 4.432 0.001 A 23 ARG HBy H 1 1.281 0.002 A 23 ARG HBx H 1 1.214 0.002 A 23 ARG HDy H 1 2.788 0.001 A 23 ARG HDx H 1 2.738 0.001 A 23 ARG HGy H 1 1.139 0.006 A 23 ARG HGx H 1 0.973 0.002 A 23 ARG HH21 H 1 6.810 0.001 A 23 ARG HH22 H 1 6.810 0.001 A 24 PHE H H 1 8.165 0.002 A 24 PHE HA H 1 4.326 0.003 A 24 PHE HBy H 1 3.270 0.001 A 24 PHE HBx H 1 3.154 0.001 A 24 PHE HEx H 1 7.156 0.006 A 24 PHE HEy H 1 7.314 0.003 A 25 GLY H H 1 8.050 0.001 A 25 GLY HA2 H 1 3.901 0.003 A 26 LYS H H 1 8.989 0.002 A 26 LYS HA H 1 4.590 0.001 A 26 LYS HB2 H 1 1.722 0.001 A 26 LYS HB3 H 1 1.722 0.001 A 26 LYS HD2 H 1 1.664 0.001 A 26 LYS HD3 H 1 1.664 0.001 A 26 LYS HE2 H 1 2.918 0.002 A 26 LYS HE3 H 1 2.918 0.002 A 26 LYS HGy H 1 1.376 0.004 A 26 LYS HGx H 1 1.344 0.005 A 27 CYS H H 1 8.765 0.005 A 27 CYS HA H 1 4.760 0.002 A 27 CYS HBy H 1 2.856 0.006 A 27 CYS HBx H 1 2.243 0.001 A 28 ILE H H 1 8.835 0.007 A 28 ILE HA H 1 4.305 0.003 A 28 ILE HB H 1 1.742 0.003 A 28 ILE HD1% H 1 0.757 0.002 A 28 ILE HG1y H 1 1.387 0.002 A 28 ILE HG1x H 1 0.972 0.003 A 28 ILE HG2% H 1 0.824 0.002 A 29 ASN H H 1 9.418 0.002 A 29 ASN HA H 1 4.313 0.001 A 29 ASN HBy H 1 3.036 0.001 A 29 ASN HBx H 1 2.737 0.003 A 29 ASN HD2y H 1 7.641 0.003 A 29 ASN HD2x H 1 6.897 0.002 A 30 GLY H H 1 8.207 0.001 A 30 GLY HA2 H 1 4.030 0.001 A 31 LYS H H 1 7.713 0.006 A 31 LYS HA H 1 5.285 0.001 A 31 LYS HBy H 1 1.933 0.004 A 31 LYS HBx H 1 1.730 0.004 A 31 LYS HD2 H 1 1.661 0.002 A 31 LYS HD3 H 1 1.661 0.002 A 31 LYS HEy H 1 2.994 0.001 A 31 LYS HEx H 1 2.940 0.001 A 31 LYS HGy H 1 1.524 0.002 A 31 LYS HGx H 1 1.367 0.001 A 32 CYS H H 1 8.299 0.003 A 32 CYS HA H 1 4.921 0.001 A 32 CYS HBy H 1 2.612 0.002 A 32 CYS HBx H 1 2.437 0.003 A 33 ASP H H 1 9.461 0.006 A 33 ASP HA H 1 5.101 0.001 A 33 ASP HBy H 1 2.640 0.001 A 33 ASP HBx H 1 2.359 0.001 A 34 CYS H H 1 9.020 0.008 A 34 CYS HA H 1 5.199 0.001 A 34 CYS HBy H 1 2.972 0.001 A 34 CYS HBx H 1 2.701 0.002 A 35 THR H H 1 8.687 0.005 A 35 THR HA H 1 4.893 0.003 A 35 THR HB H 1 3.846 0.001 A 35 THR HG2% H 1 1.392 0.001 A 36 PRO HA H 1 4.320 0.003 A 36 PRO HBy H 1 2.306 0.004 A 36 PRO HBx H 1 2.073 0.003 A 36 PRO HDy H 1 3.966 0.004 A 36 PRO HDx H 1 3.834 0.005 A 36 PRO HGy H 1 1.986 0.001 A 36 PRO HGx H 1 1.942 0.005 A 37 LYS H H 1 8.287 0.002 A 37 LYS HA H 1 3.812 0.001 A 37 LYS HBy H 1 1.710 0.001 A 37 LYS HBx H 1 1.678 0.004 A 37 LYS HD2 H 1 1.574 0.005 A 37 LYS HD3 H 1 1.574 0.005 A 37 LYS HE2 H 1 2.859 0.003 A 37 LYS HE3 H 1 2.859 0.003 A 37 LYS HGy H 1 1.309 0.001 A 37 LYS HGx H 1 1.270 0.003 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 5 VAL H A 3 ILE O 1.0 1.8 2.3 4 4 A 3 ILE O A 5 VAL N 1.0 2.8 3.3 5 5 A 7 CYS H A 30 GLY O 1.0 1.8 2.3 6 6 A 30 GLY O A 7 CYS N 1.0 2.8 3.3 7 7 A 12 GLN H A 9 HIS O 1.0 1.8 2.3 8 8 A 9 HIS O A 12 GLN N 1.0 2.8 3.3 9 9 A 18 LYS H A 14 LEU O 1.0 1.8 2.3 10 10 A 14 LEU O A 18 LYS N 1.0 2.8 3.3 11 11 A 20 ALA H A 17 CYS O 1.0 1.8 2.3 12 12 A 17 CYS O A 20 ALA N 1.0 2.8 3.3 13 13 A 17 CYS O A 22 MET H 1.0 1.8 2.3 14 14 A 17 CYS O A 22 MET N 1.0 2.8 3.3 15 15 A 23 ARG H A 35 THR O 1.0 1.8 2.3 16 16 A 35 THR O A 23 ARG N 1.0 2.8 3.3 17 17 A 26 LYS H A 33 ASP O 1.0 1.8 2.3 18 18 A 33 ASP O A 26 LYS N 1.0 2.8 3.3 19 19 A 28 ILE H A 31 LYS O 1.0 1.8 2.3 20 20 A 31 LYS O A 28 ILE N 1.0 2.8 3.3 21 21 A 31 LYS H A 28 ILE O 1.0 1.8 2.3 22 22 A 28 ILE O A 31 LYS N 1.0 2.8 3.3 23 23 A 32 CYS H A 5 VAL O 1.0 1.8 2.3 24 24 A 5 VAL O A 32 CYS N 1.0 2.8 3.3 25 25 A 33 ASP H A 26 LYS O 1.0 1.8 2.3 26 26 A 26 LYS O A 33 ASP N 1.0 2.8 3.3 27 27 A 35 THR H A 24 PHE O 1.0 1.8 2.3 28 28 A 24 PHE O A 35 THR 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 2 GLY C A 3 ILE N A 3 ILE CA A 3 ILE C 1.0 -160.0 -80.0 PHI 2 2 A 6 LYS C A 7 CYS N A 7 CYS CA A 7 CYS C 1.0 -90.0 -40.0 PHI 3 3 A 7 CYS C A 8 LYS N A 8 LYS CA A 8 LYS C 1.0 -90.0 -40.0 PHI 4 4 A 9 HIS C A 10 SER N A 10 SER CA A 10 SER C 1.0 -90.0 -40.0 PHI 5 5 A 11 GLY C A 12 GLN N A 12 GLN CA A 12 GLN C 1.0 -90.0 -40.0 PHI 6 6 A 12 GLN C A 13 CYS N A 13 CYS CA A 13 CYS C 1.0 -90.0 -40.0 PHI 7 7 A 13 CYS C A 14 LEU N A 14 LEU CA A 14 LEU C 1.0 -90.0 -40.0 PHI 8 8 A 14 LEU C A 15 LYS N A 15 LYS CA A 15 LYS C 1.0 -90.0 -40.0 PHI 9 9 A 16 PRO C A 17 CYS N A 17 CYS CA A 17 CYS C 1.0 -90.0 -40.0 PHI 10 10 A 17 CYS C A 18 LYS N A 18 LYS CA A 18 LYS C 1.0 -90.0 -40.0 PHI 11 11 A 18 LYS C A 19 LYS N A 19 LYS CA A 19 LYS C 1.0 -90.0 -40.0 PHI 12 12 A 21 GLY C A 22 MET N A 22 MET CA A 22 MET C 1.0 -160.0 -80.0 PHI 13 13 A 22 MET C A 23 ARG N A 23 ARG CA A 23 ARG C 1.0 -90.0 -40.0 PHI 14 14 A 25 GLY C A 26 LYS N A 26 LYS CA A 26 LYS C 1.0 -90.0 -40.0 PHI 15 15 A 26 LYS C A 27 CYS N A 27 CYS CA A 27 CYS C 1.0 -160.0 -80.0 PHI 16 16 A 27 CYS C A 28 ILE N A 28 ILE CA A 28 ILE C 1.0 -160.0 -80.0 PHI 17 17 A 28 ILE C A 29 ASN N A 29 ASN CA A 29 ASN C 1.0 -90.0 -40.0 PHI 18 18 A 30 GLY C A 31 LYS N A 31 LYS CA A 31 LYS C 1.0 -120.0 -40.0 PHI 19 19 A 31 LYS C A 32 CYS N A 32 CYS CA A 32 CYS C 1.0 -160.0 -80.0 PHI 20 20 A 32 CYS C A 33 ASP N A 33 ASP CA A 33 ASP C 1.0 -160.0 -80.0 PHI 21 21 A 33 ASP C A 34 CYS N A 34 CYS CA A 34 CYS C 1.0 -160.0 -80.0 PHI 22 22 A 34 CYS C A 35 THR N A 35 THR CA A 35 THR C 1.0 -160.0 -80.0 PHI 23 23 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_