data_nef_c30519_6mjd 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 6MJD 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 3 CYS SG 1 15 CYS SG 1 4 CYS SG 1 20 CYS SG 1 10 CYS SG 1 21 CYS SG 1 5 THR C 1 6 HYP N 1 6 HYP C 1 7 HYP N 1 7 HYP C 1 8 LYS N 1 16 LYS C 1 17 HYP N 1 17 HYP C 1 18 LEU N 1 22 ALA C 1 23 NH2 N 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 ARG start . . 2 A 2 ASP middle . . 3 A 3 CYS middle -HG . 4 A 4 CYS middle -HG . 5 A 5 THR middle -OXT . 6 A 6 HYP middle -H,-OXT . 7 A 7 HYP middle -H,-OXT true 8 A 8 LYS middle -H2 . 9 A 9 LYS middle . . 10 A 10 CYS middle -HG . 11 A 11 LYS middle . . 12 A 12 ASP middle . . 13 A 13 ARG middle . . 14 A 14 ARG middle . . 15 A 15 CYS middle -HG . 16 A 16 LYS middle -OXT . 17 A 17 HYP middle -H,-OXT . 18 A 18 LEU middle -H2 . 19 A 19 LYS middle . . 20 A 20 CYS middle -HG . 21 A 21 CYS middle -HG . 22 A 22 ALA middle -OXT . 23 A 23 NH2 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 ARG HA H 1 4.056 0.008 A 1 ARG HBy H 1 1.930 0.005 A 1 ARG HBx H 1 1.927 0.000 A 1 ARG HDx H 1 3.169 0.009 A 1 ARG HDy H 1 3.187 0.023 A 1 ARG HE H 1 7.291 0.002 A 1 ARG HGx H 1 1.619 0.004 A 1 ARG HGy H 1 1.697 0.003 A 1 ARG CA C 13 55.329 0.000 A 1 ARG CB C 13 30.686 0.000 A 1 ARG CG C 13 26.283 0.019 A 2 ASP H H 1 8.872 0.001 A 2 ASP HA H 1 4.717 0.004 A 2 ASP HBx H 1 2.827 0.006 A 2 ASP HBy H 1 3.040 0.002 A 2 ASP CA C 13 53.941 0.000 A 2 ASP CB C 13 41.812 0.000 A 2 ASP N N 15 127.328 0.000 A 3 CYS H H 1 8.698 0.009 A 3 CYS HA H 1 4.345 0.003 A 3 CYS HBx H 1 2.634 0.005 A 3 CYS HBy H 1 2.967 0.003 A 3 CYS CA C 13 59.245 0.000 A 3 CYS CB C 13 40.649 0.014 A 3 CYS N N 15 119.832 0.000 A 4 CYS H H 1 8.199 0.008 A 4 CYS HA H 1 4.564 0.004 A 4 CYS HBx H 1 2.906 0.008 A 4 CYS HBy H 1 3.519 0.005 A 4 CYS CA C 13 53.150 0.000 A 4 CYS CB C 13 39.958 0.006 A 4 CYS N N 15 111.633 0.000 A 5 THR H H 1 7.724 0.003 A 5 THR HA H 1 4.401 0.003 A 5 THR HB H 1 3.991 0.003 A 5 THR HG2% H 1 1.283 0.002 A 5 THR CA C 13 60.915 0.000 A 5 THR CB C 13 69.580 0.000 A 5 THR CG2 C 13 21.187 0.000 A 5 THR N N 15 116.805 0.000 A 6 HYP HA H 1 4.843 0.006 A 6 HYP HBy H 1 2.388 0.004 A 6 HYP HBx H 1 2.018 0.003 A 6 HYP HD2y H 1 4.125 0.004 A 6 HYP HD2x H 1 3.873 0.003 A 6 HYP HG H 1 4.691 0.004 A 6 HYP CB C 13 39.258 0.009 A 6 HYP CD C 13 58.910 0.004 A 6 HYP CG C 13 72.814 0.000 A 7 HYP HA H 1 4.812 0.008 A 7 HYP HBy H 1 2.426 0.007 A 7 HYP HBx H 1 2.348 0.009 A 7 HYP HD2y H 1 3.725 0.005 A 7 HYP HD2x H 1 3.527 0.004 A 7 HYP HG H 1 4.618 0.007 A 7 HYP CB C 13 40.990 0.008 A 7 HYP CD C 13 57.966 0.001 A 7 HYP CG C 13 71.096 4.618 A 8 LYS H H 1 8.873 0.002 A 8 LYS HA H 1 4.041 0.005 A 8 LYS HBx H 1 1.827 0.002 A 8 LYS HBy H 1 1.994 0.006 A 8 LYS HDx H 1 1.646 0.000 A 8 LYS HDy H 1 1.714 0.000 A 8 LYS HEx H 1 3.038 0.007 A 8 LYS HEy H 1 3.038 0.007 A 8 LYS HGx H 1 1.271 0.002 A 8 LYS HGy H 1 1.470 0.006 A 8 LYS HZ1 H 1 7.573 0.005 A 8 LYS HZ2 H 1 7.573 0.005 A 8 LYS HZ3 H 1 7.573 0.005 A 8 LYS CA C 13 57.982 0.000 A 8 LYS CB C 13 33.623 0.004 A 8 LYS CG C 13 25.903 0.014 A 8 LYS N N 15 127.357 0.000 A 9 LYS H H 1 8.224 0.003 A 9 LYS HA H 1 4.852 0.011 A 9 LYS HBx H 1 1.941 0.008 A 9 LYS HBy H 1 2.202 0.005 A 9 LYS HDy H 1 1.691 0.000 A 9 LYS HDx H 1 1.689 0.004 A 9 LYS HGx H 1 1.510 0.007 A 9 LYS HGy H 1 1.517 0.000 A 9 LYS CA C 13 54.834 0.000 A 9 LYS CB C 13 31.516 0.056 A 9 LYS N N 15 124.517 0.000 A 10 CYS H H 1 7.391 0.009 A 10 CYS HA H 1 4.374 0.003 A 10 CYS HBx H 1 2.810 0.006 A 10 CYS HBy H 1 3.225 0.006 A 10 CYS CA C 13 55.760 0.000 A 10 CYS CB C 13 36.503 0.000 A 10 CYS N N 15 114.559 0.000 A 11 LYS H H 1 8.406 0.002 A 11 LYS HA H 1 4.235 0.004 A 11 LYS HBx H 1 1.815 0.003 A 11 LYS HBy H 1 1.878 0.000 A 11 LYS HDx H 1 1.668 0.008 A 11 LYS HDy H 1 1.668 0.008 A 11 LYS HEx H 1 2.992 0.002 A 11 LYS HEy H 1 2.992 0.002 A 11 LYS HGx H 1 1.383 0.004 A 11 LYS HGy H 1 1.488 0.001 A 11 LYS HZ1 H 1 7.526 0.000 A 11 LYS HZ2 H 1 7.526 0.000 A 11 LYS HZ3 H 1 7.526 0.000 A 11 LYS CA C 13 57.028 0.000 A 11 LYS CB C 13 32.190 0.005 A 11 LYS CD C 13 29.099 0.000 A 11 LYS CG C 13 25.364 0.000 A 12 ASP H H 1 7.787 0.005 A 12 ASP HA H 1 4.561 0.001 A 12 ASP HBx H 1 2.693 0.006 A 12 ASP HBy H 1 2.940 0.008 A 12 ASP CA C 13 54.053 0.000 A 12 ASP CB C 13 42.393 0.000 A 12 ASP N N 15 121.550 0.000 A 13 ARG H H 1 9.098 0.001 A 13 ARG HA H 1 3.971 0.001 A 13 ARG HBx H 1 1.918 0.007 A 13 ARG HBy H 1 1.977 0.006 A 13 ARG HDx H 1 3.254 0.003 A 13 ARG HDy H 1 3.254 0.002 A 13 ARG HE H 1 7.263 0.002 A 13 ARG HGx H 1 1.726 0.002 A 13 ARG HGy H 1 1.727 0.003 A 13 ARG CA C 13 59.722 0.000 A 13 ARG CB C 13 30.025 0.007 A 13 ARG CD C 13 43.251 0.000 A 13 ARG CG C 13 27.125 0.000 A 13 ARG N N 15 127.969 0.000 A 14 ARG H H 1 9.014 0.002 A 14 ARG HA H 1 4.182 0.001 A 14 ARG HBy H 1 1.844 0.002 A 14 ARG HBx H 1 1.843 0.002 A 14 ARG HDx H 1 3.217 0.003 A 14 ARG HDy H 1 3.218 0.004 A 14 ARG HE H 1 7.519 0.002 A 14 ARG HGx H 1 1.653 0.004 A 14 ARG HGy H 1 1.714 0.005 A 14 ARG CA C 13 58.073 0.000 A 14 ARG CB C 13 29.882 0.000 A 14 ARG CG C 13 27.616 0.000 A 14 ARG N N 15 117.077 0.000 A 15 CYS H H 1 7.757 0.006 A 15 CYS HA H 1 4.855 0.010 A 15 CYS HBx H 1 3.150 0.001 A 15 CYS HBy H 1 3.206 0.008 A 15 CYS CA C 13 53.193 0.000 A 15 CYS CB C 13 37.303 0.000 A 15 CYS N N 15 116.039 0.000 A 16 LYS H H 1 7.676 0.002 A 16 LYS HA H 1 4.042 0.001 A 16 LYS CA C 13 60.884 0.000 A 16 LYS N N 15 120.891 0.000 A 17 HYP HA H 1 4.642 0.008 A 17 HYP HBy H 1 2.430 0.002 A 17 HYP HBx H 1 1.886 0.007 A 17 HYP HD2y H 1 3.831 0.003 A 17 HYP HD2x H 1 3.150 0.005 A 17 HYP HG H 1 4.495 0.002 A 17 HYP CA C 13 62.212 0.000 A 17 HYP CB C 13 39.525 0.005 A 17 HYP CD C 13 58.312 0.003 A 17 HYP CG C 13 72.472 0.000 A 18 LEU H H 1 7.718 0.004 A 18 LEU HA H 1 4.272 0.007 A 18 LEU HBx H 1 1.731 0.003 A 18 LEU HBy H 1 1.932 0.006 A 18 LEU HDx% H 1 1.048 0.001 A 18 LEU HDy% H 1 0.929 0.002 A 18 LEU HG H 1 1.810 0.003 A 18 LEU CA C 13 54.989 0.000 A 18 LEU CB C 13 42.127 0.010 A 18 LEU CDy C 13 26.836 0.000 A 18 LEU CDx C 13 22.540 0.000 A 18 LEU CG C 13 27.857 0.000 A 18 LEU N N 15 121.019 0.000 A 19 LYS H H 1 8.916 0.001 A 19 LYS HA H 1 4.052 0.001 A 19 LYS HBx H 1 1.892 0.002 A 19 LYS HBy H 1 1.892 0.002 A 19 LYS HDx H 1 1.726 0.001 A 19 LYS HDy H 1 1.726 0.001 A 19 LYS HGx H 1 1.523 0.000 A 19 LYS HGy H 1 1.568 0.005 A 19 LYS CA C 13 59.569 0.000 A 19 LYS CB C 13 31.686 0.000 A 19 LYS CG C 13 25.016 0.000 A 19 LYS N N 15 124.245 0.000 A 20 CYS H H 1 8.401 0.000 A 20 CYS HA H 1 4.601 0.003 A 20 CYS HBx H 1 3.016 0.003 A 20 CYS HBy H 1 3.928 0.002 A 20 CYS CA C 13 57.126 0.000 A 20 CYS CB C 13 43.128 0.000 A 21 CYS H H 1 7.877 0.001 A 21 CYS HA H 1 5.009 0.005 A 21 CYS HBx H 1 2.934 0.004 A 21 CYS HBy H 1 3.234 0.007 A 21 CYS CA C 13 54.354 0.000 A 21 CYS CB C 13 38.875 0.011 A 21 CYS N N 15 119.261 0.000 A 22 ALA H H 1 7.884 0.001 A 22 ALA HA H 1 4.298 0.003 A 22 ALA HB% H 1 1.461 0.002 A 22 ALA CA C 13 53.156 0.000 A 22 ALA CB C 13 19.349 0.000 A 22 ALA N N 15 125.990 0.000 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type . 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 2 ASP HA A 3 CYS H 1.0 1.8 3.32 2 2 A 12 ASP HA A 13 ARG H 1.0 1.8 2.94 3 3 A 18 LEU HA A 19 LYS H 1.0 1.8 2.86 4 4 A 8 LYS HA A 9 LYS H 1.0 1.8 2.94 5 5 A 19 LYS HA A 21 CYS H 1.0 1.8 4.21 6 6 A 10 CYS HA A 12 ASP H 1.0 1.8 4.60 7 7 A 5 THR H A 5 THR HB 1.0 1.8 3.26 8 8 A 13 ARG HA A 16 LYS H 1.0 1.8 4.81 9 9 A 13 ARG H A 12 ASP HBx 1.0 1.8 4.90 10 10 A 13 ARG H A 12 ASP HBy 1.0 1.8 4.90 11 11 A 11 LYS H A 11 LYS HBx 1.0 1.8 3.94 12 12 A 19 LYS HBx A 20 CYS H 1.0 1.8 4.49 13 13 A 20 CYS H A 19 LYS HBy 1.0 1.8 4.49 14 14 A 11 LYS H A 11 LYS HBy 1.0 1.8 3.94 15 15 A 8 LYS H A 8 LYS HGx 1.0 1.8 3.88 16 16 A 8 LYS H A 8 LYS HGy 1.0 1.8 3.31 17 17 A 8 LYS H A 8 LYS HBy 1.0 1.8 3.90 18 18 A 8 LYS H A 8 LYS HBx 1.0 1.8 3.90 19 19 A 13 ARG H A 13 ARG HBx 1.0 1.8 3.60 20 20 A 13 ARG H A 13 ARG HBy 1.0 1.8 3.60 21 21 A 13 ARG H A 13 ARG HGx 1.0 1.8 4.38 22 22 A 13 ARG H A 13 ARG HGy 1.0 1.8 4.38 23 23 A 14 ARG H A 14 ARG HGx 1.0 1.8 3.98 24 24 A 14 ARG H A 14 ARG HGy 1.0 1.8 3.98 25 25 A 22 ALA H A 22 ALA HB% 1.0 1.8 3.22 26 26 A 14 ARG HE A 14 ARG HBy 1.0 1.8 5.50 27 27 A 14 ARG HE A 14 ARG HBx 1.0 1.8 5.50 28 28 A 21 CYS H A 18 LEU HBx 1.0 1.8 4.57 29 29 A 12 ASP H A 12 ASP HBy 1.0 1.8 3.30 30 30 A 21 CYS H A 20 CYS HBy 1.0 1.8 5.33 31 31 A 12 ASP H A 12 ASP HBx 1.0 1.8 3.30 32 32 A 5 THR HA A 6 HYP HD1 1.0 1.8 3.34 33 33 A 2 ASP HA A 4 CYS H 1.0 1.8 5.22 34 34 A 12 ASP HA A 14 ARG H 1.0 1.8 4.96 35 35 A 13 ARG H A 13 ARG HDx 1.0 1.8 5.50 36 36 A 13 ARG H A 13 ARG HDy 1.0 1.8 5.50 37 37 A 14 ARG H A 14 ARG HDx 1.0 1.8 5.50 38 38 A 14 ARG H A 14 ARG HDy 1.0 1.8 5.50 39 39 A 1 ARG HE A 1 ARG HBy 1.0 1.8 5.50 40 40 A 1 ARG HE A 1 ARG HBx 1.0 1.8 5.50 41 41 A 9 LYS H A 9 LYS HDy 1.0 1.8 5.50 42 42 A 9 LYS H A 9 LYS HDx 1.0 1.8 5.50 43 43 A 5 THR H A 5 THR HG2% 1.0 1.8 4.20 44 44 A 18 LEU H A 18 LEU HG 1.0 1.8 3.29 45 45 A 16 LYS H A 18 LEU HG 1.0 1.8 4.47 46 46 A 19 LYS H A 19 LYS HDx 1.0 1.8 5.50 47 47 A 19 LYS H A 19 LYS HDy 1.0 1.8 5.50 48 48 A 9 LYS H A 8 LYS HGx 1.0 1.8 5.07 49 49 A 11 LYS H A 10 CYS HBy 1.0 1.8 5.16 50 50 A 11 LYS H A 10 CYS HBx 1.0 1.8 5.16 51 51 A 21 CYS H A 20 CYS HBx 1.0 1.8 5.33 52 52 A 16 LYS H A 17 HYP HD1 1.0 1.8 3.94 53 53 A 14 ARG H A 15 CYS H 1.0 1.8 3.36 54 54 A 14 ARG H A 14 ARG HE 1.0 1.8 5.24 55 55 A 12 ASP H A 11 LYS H 1.0 1.8 3.57 56 56 A 21 CYS H A 20 CYS H 1.0 1.8 3.72 57 57 A 5 THR H A 4 CYS H 1.0 1.8 3.57 58 58 A 11 LYS H A 10 CYS H 1.0 1.8 4.37 59 59 A 9 LYS H A 10 CYS H 1.0 1.8 4.48 60 60 A 3 CYS H A 4 CYS H 1.0 1.8 3.84 61 61 A 19 LYS H A 20 CYS H 1.0 1.8 3.91 62 62 A 9 LYS H A 8 LYS H 1.0 1.8 5.28 63 63 A 19 LYS H A 21 CYS H 1.0 1.8 5.26 64 64 A 19 LYS H A 18 LEU H 1.0 1.8 5.37 65 65 A 8 LYS HGy A 10 CYS H 1.0 1.8 5.50 66 66 A 21 CYS H A 18 LEU HBy 1.0 1.8 4.57 67 67 A 10 CYS HA A 15 CYS HBx 1.0 1.8 3.89 68 68 A 10 CYS HA A 15 CYS HBy 1.0 1.8 3.89 69 69 A 16 LYS HA A 21 CYS HBy 1.0 1.8 4.29 70 70 A 6 HYP HBy A 7 HYP HA 1.0 1.8 3.97 71 71 A 5 THR HA A 5 THR HG2% 1.0 1.8 3.46 72 72 A 15 CYS HA A 18 LEU HDx% 1.0 1.8 3.72 73 73 A 18 LEU HA A 18 LEU HDy% 1.0 1.8 3.26 74 74 A 8 LYS HA A 8 LYS HGy 1.0 1.8 3.67 75 75 A 14 ARG HA A 14 ARG HGx 1.0 1.8 4.04 76 76 A 14 ARG HA A 14 ARG HGy 1.0 1.8 4.04 77 77 A 16 LYS HA A 21 CYS HBx 1.0 1.8 4.29 78 78 A 6 HYP HD1 A 5 THR HG2% 1.0 1.8 4.01 79 79 A 8 LYS HA A 8 LYS HGx 1.0 1.8 4.12 80 80 A 3 CYS H A 18 LEU HDx% 1.0 1.8 5.29 81 81 A 18 LEU HG A 15 CYS HA 1.0 1.8 4.04 82 82 A 13 ARG H A 12 ASP H 1.0 1.8 5.13 83 83 A 16 LYS H A 15 CYS H 1.0 1.8 4.07 84 84 A 18 LEU HDx% A 18 LEU HBx 1.0 1.8 3.61 85 85 A 18 LEU HDy% A 18 LEU HBx 1.0 1.8 4.08 86 86 A 18 LEU HDy% A 18 LEU HBy 1.0 1.8 4.08 87 87 A 18 LEU HDx% A 18 LEU HBy 1.0 1.8 3.61 88 88 A 18 LEU HDx% A 3 CYS HBy 1.0 1.8 3.75 89 89 A 18 LEU HDx% A 3 CYS HBx 1.0 1.8 3.75 90 90 A 18 LEU HA A 18 LEU HDx% 1.0 1.8 4.93 91 91 A 19 LYS H A 18 LEU HDy% 1.0 1.8 4.39 92 92 A 18 LEU H A 18 LEU HDx% 1.0 1.8 4.42 93 93 A 18 LEU H A 18 LEU HDy% 1.0 1.8 4.54 94 94 A 8 LYS HGx A 4 CYS HA 1.0 1.8 4.25 95 95 A 22 ALA HB% A 23 NH2 . 1.0 1.8 5.16 96 96 A 22 ALA HB% A 23 NH2 . 1.0 1.8 5.36 97 97 A 8 LYS HGx A 7 HYP HA 1.0 1.8 4.60 98 98 A 3 CYS H A 5 THR H 1.0 1.8 5.45 99 99 A 4 CYS H A 18 LEU HDx% 1.0 1.8 5.40 100 100 A 4 CYS HA A 8 LYS HDx 1.0 1.8 4.52 101 101 A 4 CYS HA A 8 LYS HDy 1.0 1.8 4.52 102 102 A 20 CYS H A 18 LEU HDx% 1.0 1.8 5.50 103 103 A 20 CYS H A 18 LEU HDy% 1.0 1.8 5.50 104 104 A 21 CYS H A 18 LEU HDx% 1.0 1.8 5.50 105 105 A 19 LYS H A 18 LEU HDx% 1.0 1.8 5.50 106 106 A 8 LYS HA A 7 HYP HA 1.0 1.8 4.87 107 107 A 8 LYS HGy A 7 HYP HA 1.0 1.8 4.28 108 108 A 4 CYS HA A 8 LYS HBy 1.0 1.8 5.21 109 109 A 4 CYS HA A 8 LYS HBx 1.0 1.8 5.21 110 110 A 17 HYP HD1 A 18 LEU HDy% 1.0 1.8 5.50 111 111 A 1 ARG HA A 1 ARG HGx 1.0 1.8 3.63 112 111 A 1 ARG HA A 1 ARG HGy 1.0 1.8 3.63 113 112 A 1 ARG HBy A 1 ARG HDx 1.0 1.8 3.20 114 112 A 1 ARG HBx A 1 ARG HDx 1.0 1.8 3.20 115 112 A 1 ARG HDy A 1 ARG HBx 1.0 1.8 3.20 116 112 A 1 ARG HBy A 1 ARG HDy 1.0 1.8 3.20 117 113 A 1 ARG HE A 1 ARG HBx 1.0 1.8 4.73 118 113 A 1 ARG HE A 1 ARG HBy 1.0 1.8 4.73 119 114 A 3 CYS H A 1 ARG HBx 1.0 1.8 5.34 120 114 A 3 CYS H A 1 ARG HBy 1.0 1.8 5.34 121 115 A 3 CYS H A 1 ARG HGx 1.0 1.8 5.34 122 115 A 3 CYS H A 1 ARG HGy 1.0 1.8 5.34 123 116 A 3 CYS H A 2 ASP HBx 1.0 1.8 3.69 124 116 A 3 CYS H A 2 ASP HBy 1.0 1.8 3.69 125 117 A 5 THR H A 2 ASP HBx 1.0 1.8 4.47 126 117 A 5 THR H A 2 ASP HBy 1.0 1.8 4.47 127 118 A 5 THR HB A 2 ASP HBx 1.0 1.8 4.29 128 118 A 5 THR HB A 2 ASP HBy 1.0 1.8 4.29 129 119 A 3 CYS H A 3 CYS HBx 1.0 1.8 3.26 130 119 A 3 CYS H A 3 CYS HBy 1.0 1.8 3.26 131 120 A 4 CYS H A 3 CYS HBx 1.0 1.8 4.37 132 120 A 4 CYS H A 3 CYS HBy 1.0 1.8 4.37 133 121 A 5 THR H A 3 CYS HBx 1.0 1.8 5.34 134 121 A 5 THR H A 3 CYS HBy 1.0 1.8 5.34 135 122 A 3 CYS HBx A 18 LEU HBx 1.0 1.8 5.18 136 122 A 3 CYS HBy A 18 LEU HBx 1.0 1.8 5.18 137 122 A 18 LEU HBy A 3 CYS HBx 1.0 1.8 5.18 138 122 A 3 CYS HBy A 18 LEU HBy 1.0 1.8 5.18 139 123 A 18 LEU HDx% A 3 CYS HBx 1.0 1.8 3.22 140 123 A 18 LEU HDx% A 3 CYS HBy 1.0 1.8 3.22 141 124 A 18 LEU HDy% A 3 CYS HBx 1.0 1.8 4.41 142 124 A 18 LEU HDy% A 3 CYS HBy 1.0 1.8 4.41 143 125 A 4 CYS H A 4 CYS HBx 1.0 1.8 3.24 144 125 A 4 CYS H A 4 CYS HBy 1.0 1.8 3.24 145 126 A 4 CYS HA A 8 LYS HDy 1.0 1.8 3.90 146 126 A 4 CYS HA A 8 LYS HDx 1.0 1.8 3.90 147 127 A 6 HYP HA A 8 LYS HDy 1.0 2.0 5.00 148 127 A 8 LYS HDx A 6 HYP HA 1.0 2.0 5.00 149 128 A 8 LYS H A 8 LYS HBy 1.0 1.8 3.34 150 128 A 8 LYS H A 8 LYS HBx 1.0 1.8 3.34 151 129 A 8 LYS HBx A 8 LYS HEx 1.0 1.8 4.74 152 129 A 8 LYS HBy A 8 LYS HEx 1.0 1.8 4.74 153 129 A 8 LYS HEy A 8 LYS HBy 1.0 1.8 4.74 154 129 A 8 LYS HBx A 8 LYS HEy 1.0 1.8 4.74 155 130 A 9 LYS H A 8 LYS HBy 1.0 1.8 4.21 156 130 A 9 LYS H A 8 LYS HBx 1.0 1.8 4.21 157 131 A 10 CYS H A 8 LYS HBy 1.0 1.8 4.93 158 131 A 10 CYS H A 8 LYS HBx 1.0 1.8 4.93 159 132 A 9 LYS H A 9 LYS HBx 1.0 1.8 3.31 160 132 A 9 LYS H A 9 LYS HBy 1.0 1.8 3.31 161 133 A 9 LYS H A 9 LYS HGx 1.0 1.8 4.11 162 133 A 9 LYS H A 9 LYS HGy 1.0 1.8 4.11 163 134 A 10 CYS H A 10 CYS HBx 1.0 1.8 3.64 164 134 A 10 CYS H A 10 CYS HBy 1.0 1.8 3.64 165 135 A 10 CYS H A 11 LYS HBy 1.0 1.8 5.20 166 135 A 10 CYS H A 11 LYS HBx 1.0 1.8 5.20 167 136 A 10 CYS HA A 15 CYS HBx 1.0 1.8 3.20 168 136 A 10 CYS HA A 15 CYS HBy 1.0 1.8 3.20 169 137 A 11 LYS H A 10 CYS HBx 1.0 1.8 4.48 170 137 A 11 LYS H A 10 CYS HBy 1.0 1.8 4.48 171 138 A 11 LYS H A 11 LYS HBy 1.0 1.8 3.37 172 138 A 11 LYS H A 11 LYS HBx 1.0 1.8 3.37 173 139 A 11 LYS H A 11 LYS HGx 1.0 1.8 4.16 174 139 A 11 LYS H A 11 LYS HGy 1.0 1.8 4.16 175 140 A 12 ASP H A 11 LYS HGx 1.0 1.8 5.09 176 140 A 12 ASP H A 11 LYS HGy 1.0 1.8 5.09 177 141 A 12 ASP HA A 13 ARG HBy 1.0 1.8 5.34 178 141 A 12 ASP HA A 13 ARG HBx 1.0 1.8 5.34 179 142 A 13 ARG H A 12 ASP HBy 1.0 1.8 4.17 180 142 A 13 ARG H A 12 ASP HBx 1.0 1.8 4.17 181 143 A 14 ARG H A 12 ASP HBy 1.0 1.8 4.06 182 143 A 14 ARG H A 12 ASP HBx 1.0 1.8 4.06 183 144 A 13 ARG H A 13 ARG HBy 1.0 1.8 3.15 184 144 A 13 ARG H A 13 ARG HBx 1.0 1.8 3.15 185 145 A 13 ARG H A 13 ARG HGy 1.0 1.8 3.65 186 145 A 13 ARG H A 13 ARG HGx 1.0 1.8 3.65 187 146 A 13 ARG HA A 13 ARG HGy 1.0 1.8 3.68 188 146 A 13 ARG HA A 13 ARG HGx 1.0 1.8 3.68 189 147 A 13 ARG HBy A 13 ARG HDy 1.0 1.8 3.32 190 147 A 13 ARG HBx A 13 ARG HDy 1.0 1.8 3.32 191 147 A 13 ARG HDx A 13 ARG HBy 1.0 1.8 3.32 192 147 A 13 ARG HBx A 13 ARG HDx 1.0 1.8 3.32 193 148 A 16 LYS H A 13 ARG HBy 1.0 1.8 4.43 194 148 A 16 LYS H A 13 ARG HBx 1.0 1.8 4.43 195 149 A 14 ARG H A 14 ARG HBx 1.0 1.8 3.02 196 149 A 14 ARG H A 14 ARG HBy 1.0 1.8 3.02 197 150 A 14 ARG H A 14 ARG HGy 1.0 1.8 3.42 198 150 A 14 ARG H A 14 ARG HGx 1.0 1.8 3.42 199 151 A 14 ARG H A 14 ARG HDy 1.0 1.8 4.80 200 151 A 14 ARG H A 14 ARG HDx 1.0 1.8 4.80 201 152 A 14 ARG HA A 14 ARG HGy 1.0 1.8 3.46 202 152 A 14 ARG HA A 14 ARG HGx 1.0 1.8 3.46 203 153 A 14 ARG HE A 14 ARG HBx 1.0 1.8 4.85 204 153 A 14 ARG HE A 14 ARG HBy 1.0 1.8 4.85 205 154 A 15 CYS H A 15 CYS HBx 1.0 1.8 3.55 206 154 A 15 CYS H A 15 CYS HBy 1.0 1.8 3.55 207 155 A 18 LEU HDx% A 15 CYS HBx 1.0 1.8 4.70 208 155 A 18 LEU HDx% A 15 CYS HBy 1.0 1.8 4.70 209 156 A 18 LEU HDy% A 15 CYS HBx 1.0 1.8 5.34 210 156 A 18 LEU HDy% A 15 CYS HBy 1.0 1.8 5.34 211 157 A 16 LYS HA A 21 CYS HBx 1.0 1.8 3.76 212 157 A 16 LYS HA A 21 CYS HBy 1.0 1.8 3.76 213 158 A 18 LEU HDx% A 17 HYP HG 1.0 1.8 5.27 214 159 A 18 LEU HDy% A 17 HYP HG 1.0 1.8 4.97 215 160 A 18 LEU H A 18 LEU HBx 1.0 1.8 3.54 216 160 A 18 LEU H A 18 LEU HBy 1.0 1.8 3.54 217 161 A 19 LYS H A 18 LEU HBx 1.0 1.8 3.45 218 161 A 19 LYS H A 18 LEU HBy 1.0 1.8 3.45 219 162 A 20 CYS H A 18 LEU HBx 1.0 1.8 3.83 220 162 A 20 CYS H A 18 LEU HBy 1.0 1.8 3.83 221 163 A 21 CYS H A 18 LEU HBx 1.0 1.8 3.84 222 163 A 21 CYS H A 18 LEU HBy 1.0 1.8 3.84 223 164 A 19 LYS H A 19 LYS HGx 1.0 1.8 4.51 224 164 A 19 LYS H A 19 LYS HGy 1.0 1.8 4.51 225 165 A 19 LYS H A 20 CYS HBx 1.0 1.8 5.06 226 165 A 19 LYS H A 20 CYS HBy 1.0 1.8 5.06 227 166 A 19 LYS HA A 19 LYS HGx 1.0 1.8 3.65 228 166 A 19 LYS HA A 19 LYS HGy 1.0 1.8 3.65 229 167 A 20 CYS H A 20 CYS HBx 1.0 1.8 3.10 230 167 A 20 CYS H A 20 CYS HBy 1.0 1.8 3.10 231 168 A 21 CYS H A 20 CYS HBx 1.0 1.8 4.48 232 168 A 21 CYS H A 20 CYS HBy 1.0 1.8 4.48 233 169 A 21 CYS H A 21 CYS HBx 1.0 1.8 3.15 234 169 A 21 CYS H A 21 CYS HBy 1.0 1.8 3.15 235 170 A 22 ALA H A 21 CYS HBx 1.0 1.8 4.40 236 170 A 22 ALA H A 21 CYS HBy 1.0 1.8 4.40 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 15 CYS H A 12 ASP O 1.0 0.0 2.0 2 2 A 12 ASP O A 15 CYS N 1.0 0.0 3.0 3 3 A 16 LYS H A 13 ARG O 1.0 0.0 2.0 4 4 A 13 ARG O A 16 LYS N 1.0 0.0 3.0 5 5 A 21 CYS H A 18 LEU O 1.0 0.0 2.0 6 6 A 18 LEU O A 21 CYS N 1.0 0.0 3.0 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 1 ARG C A 2 ASP N A 2 ASP CA A 2 ASP C 1.0 -120.0 -40.0 PHI 2 2 A 2 ASP N A 2 ASP CA A 2 ASP C A 3 CYS N 1.0 110.0 170.0 PSI 3 3 A 2 ASP C A 3 CYS N A 3 CYS CA A 3 CYS C 1.0 -120.0 -40.0 PHI 4 4 A 3 CYS N A 3 CYS CA A 3 CYS C A 4 CYS N 1.0 -60.0 0.0 PSI 5 5 A 3 CYS C A 4 CYS N A 4 CYS CA A 4 CYS C 1.0 -120.0 -60.0 PHI 6 6 A 4 CYS C A 5 THR N A 5 THR CA A 5 THR C 1.0 -120.0 -40.0 PHI 7 7 A 5 THR N A 5 THR CA A 5 THR C A 6 HYP N 1.0 100.0 160.0 PSI 8 8 A 7 HYP N A 7 HYP CA A 7 HYP C A 8 LYS N 1.0 95.0 175.0 PSI 9 9 A 7 HYP C A 8 LYS N A 8 LYS CA A 8 LYS C 1.0 -120.0 -40.0 PHI 10 10 A 8 LYS N A 8 LYS CA A 8 LYS C A 9 LYS N 1.0 110.0 170.0 PSI 11 11 A 8 LYS C A 9 LYS N A 9 LYS CA A 9 LYS C 1.0 -180.0 -20.0 PHI 12 12 A 9 LYS C A 10 CYS N A 10 CYS CA A 10 CYS C 1.0 -180.0 -20.0 PHI 13 13 A 10 CYS C A 11 LYS N A 11 LYS CA A 11 LYS C 1.0 -140.0 -40.0 PHI 14 14 A 11 LYS C A 12 ASP N A 12 ASP CA A 12 ASP C 1.0 -105.0 -45.0 PHI 15 15 A 12 ASP N A 12 ASP CA A 12 ASP C A 13 ARG N 1.0 100.0 160.0 PSI 16 16 A 12 ASP C A 13 ARG N A 13 ARG CA A 13 ARG C 1.0 -90.0 -30.0 PHI 17 17 A 13 ARG N A 13 ARG CA A 13 ARG C A 14 ARG N 1.0 -60.0 0.0 PSI 18 18 A 13 ARG C A 14 ARG N A 14 ARG CA A 14 ARG C 1.0 -90.0 -30.0 PHI 19 19 A 14 ARG N A 14 ARG CA A 14 ARG C A 15 CYS N 1.0 -60.0 0.0 PSI 20 20 A 14 ARG C A 15 CYS N A 15 CYS CA A 15 CYS C 1.0 -140.0 -60.0 PHI 21 21 A 15 CYS N A 15 CYS CA A 15 CYS C A 16 LYS N 1.0 -20.0 40.0 PSI 22 22 A 15 CYS C A 16 LYS N A 16 LYS CA A 16 LYS C 1.0 -140.0 -20.0 PHI 23 23 A 18 LEU C A 19 LYS N A 19 LYS CA A 19 LYS C 1.0 -140.0 -20.0 PHI 24 24 A 19 LYS N A 19 LYS CA A 19 LYS C A 20 CYS N 1.0 -60.0 0.0 PSI 25 25 A 19 LYS C A 20 CYS N A 20 CYS CA A 20 CYS C 1.0 -180.0 -40.0 PHI 26 26 A 20 CYS N A 20 CYS CA A 20 CYS C A 21 CYS N 1.0 -60.0 0.0 PSI 27 27 A 20 CYS C A 21 CYS N A 21 CYS CA A 21 CYS C 1.0 -180.0 -20.0 PHI 28 28 A 21 CYS C A 22 ALA N A 22 ALA CA A 22 ALA C 1.0 -180.0 -20.0 PHI 29 29 A 3 CYS N A 3 CYS CA A 3 CYS CB A 3 CYS SG 1.0 -210.0 -30.0 CHI1 30 30 A 10 CYS N A 10 CYS CA A 10 CYS CB A 10 CYS SG 1.0 -210.0 -30.0 CHI1 31 31 A 12 ASP N A 12 ASP CA A 12 ASP CB A 12 ASP CG 1.0 -210.0 -30.0 CHI1 32 32 A 18 LEU N A 18 LEU CA A 18 LEU CB A 18 LEU CG 1.0 -90.0 -30.0 CHI1 33 33 A 21 CYS N A 21 CYS CA A 21 CYS CB A 21 CYS SG 1.0 -210.0 -30.0 CHI1 stop_ save_