data_nef_c30618_6pi3 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 6PI3 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 16 CYS SG 1 7 CYS SG 1 12 CYS SG 1 17 ARG C 1 18 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 LYS start . . 2 A 2 TRP middle . . 3 A 3 CYS middle -HG . 4 A 4 PHE middle . . 5 A 5 ARG middle . . 6 A 6 VAL middle . . 7 A 7 CYS middle -HG . 8 A 8 TYR middle . . 9 A 9 ARG middle . . 10 A 10 GLY middle . false 11 A 11 ILE middle . . 12 A 12 CYS middle -HG . 13 A 13 TYR middle . . 14 A 14 ARG middle . . 15 A 15 LYS middle . . 16 A 16 CYS middle -HG . 17 A 17 ARG middle -OXT . 18 A 18 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 LYS HA H 1 3.848 0.002 A 1 LYS HBx H 1 1.702 0.000 A 1 LYS HBy H 1 1.702 0.000 A 1 LYS HDx H 1 1.599 0.001 A 1 LYS HDy H 1 1.599 0.001 A 1 LYS HEx H 1 2.919 0.006 A 1 LYS HEy H 1 2.919 0.006 A 1 LYS HGx H 1 1.332 0.001 A 1 LYS HGy H 1 1.332 0.001 A 1 LYS CA C 13 56.041 0.000 A 1 LYS CB C 13 34.218 0.000 A 1 LYS CD C 13 29.331 0.000 A 1 LYS CE C 13 41.754 0.000 A 1 LYS CG C 13 24.326 0.000 A 2 TRP HA H 1 4.925 0.010 A 2 TRP HBy H 1 3.372 0.001 A 2 TRP HBx H 1 3.296 0.007 A 2 TRP HD1 H 1 7.265 0.001 A 2 TRP HE1 H 1 10.122 0.001 A 2 TRP HE3 H 1 7.461 0.000 A 2 TRP CA C 13 57.085 0.000 A 2 TRP CB C 13 30.402 0.009 A 3 CYS H H 1 8.278 0.001 A 3 CYS HA H 1 5.491 0.001 A 3 CYS HBy H 1 2.996 0.006 A 3 CYS HBx H 1 2.567 0.006 A 3 CYS CA C 13 55.434 0.000 A 3 CYS CB C 13 48.399 0.068 A 3 CYS N N 15 121.671 0.000 A 4 PHE H H 1 8.766 0.001 A 4 PHE HA H 1 4.785 0.010 A 4 PHE HBx H 1 3.002 0.002 A 4 PHE HBy H 1 3.002 0.002 A 4 PHE HDx H 1 6.904 0.001 A 4 PHE HDy H 1 6.904 0.001 A 4 PHE HEx H 1 7.110 0.005 A 4 PHE HEy H 1 7.110 0.005 A 4 PHE CA C 13 55.212 0.000 A 4 PHE CB C 13 40.801 0.000 A 4 PHE N N 15 119.850 0.000 A 5 ARG H H 1 8.564 0.002 A 5 ARG HA H 1 4.905 0.004 A 5 ARG HBy H 1 1.728 0.003 A 5 ARG HBx H 1 1.629 0.003 A 5 ARG HDx H 1 3.107 0.002 A 5 ARG HDy H 1 3.107 0.002 A 5 ARG HGy H 1 1.483 0.004 A 5 ARG HGx H 1 1.420 0.008 A 5 ARG CA C 13 55.288 0.000 A 5 ARG CB C 13 32.222 0.005 A 5 ARG CD C 13 43.682 0.000 A 5 ARG CG C 13 27.919 0.005 A 5 ARG N N 15 121.591 0.000 A 6 VAL H H 1 8.830 0.000 A 6 VAL HA H 1 4.340 0.001 A 6 VAL HB H 1 1.615 0.002 A 6 VAL HGx% H 1 0.875 0.012 A 6 VAL HGy% H 1 0.851 0.007 A 6 VAL CA C 13 60.918 0.000 A 6 VAL CB C 13 34.477 0.000 A 6 VAL CGx C 13 21.059 0.000 A 6 VAL CGy C 13 21.132 0.000 A 6 VAL N N 15 126.211 0.000 A 7 CYS H H 1 8.595 0.003 A 7 CYS HA H 1 5.612 0.002 A 7 CYS HBy H 1 3.029 0.002 A 7 CYS HBx H 1 2.656 0.007 A 7 CYS CA C 13 55.193 0.000 A 7 CYS CB C 13 48.614 0.037 A 7 CYS N N 15 122.887 0.000 A 8 TYR H H 1 9.089 0.001 A 8 TYR HA H 1 4.735 0.008 A 8 TYR HBx H 1 3.047 0.007 A 8 TYR HBy H 1 3.047 0.007 A 8 TYR HDx H 1 7.234 0.006 A 8 TYR HDy H 1 7.234 0.006 A 8 TYR HEx H 1 6.845 0.000 A 8 TYR HEy H 1 6.845 0.000 A 8 TYR CA C 13 57.553 0.000 A 8 TYR CB C 13 40.717 0.000 A 8 TYR N N 15 123.572 0.000 A 9 ARG H H 1 9.224 0.000 A 9 ARG HA H 1 3.715 0.002 A 9 ARG HBy H 1 1.914 0.004 A 9 ARG HBx H 1 1.616 0.006 A 9 ARG HDx H 1 3.068 0.000 A 9 ARG HDy H 1 3.068 0.000 A 9 ARG HGy H 1 1.238 0.005 A 9 ARG HGx H 1 0.939 0.004 A 9 ARG CA C 13 57.119 0.000 A 9 ARG CB C 13 27.966 0.010 A 9 ARG CG C 13 27.335 0.001 A 10 GLY H H 1 8.548 0.001 A 10 GLY HAy H 1 4.166 0.006 A 10 GLY HAx H 1 3.573 0.011 A 10 GLY CA C 13 45.214 0.003 A 10 GLY N N 15 103.976 0.000 A 11 ILE H H 1 7.822 0.003 A 11 ILE HA H 1 4.339 0.002 A 11 ILE HB H 1 2.046 0.003 A 11 ILE HD1% H 1 0.891 0.001 A 11 ILE HG1y H 1 1.524 0.003 A 11 ILE HG1x H 1 1.192 0.001 A 11 ILE HG2% H 1 0.835 0.003 A 11 ILE CA C 13 60.052 0.000 A 11 ILE CB C 13 38.843 0.000 A 11 ILE CD1 C 13 12.118 0.000 A 11 ILE CG1 C 13 27.071 0.002 A 11 ILE CG2 C 13 17.396 0.000 A 11 ILE N N 15 122.613 0.000 A 12 CYS H H 1 8.622 0.003 A 12 CYS HA H 1 5.773 0.002 A 12 CYS HBy H 1 2.971 0.004 A 12 CYS HBx H 1 2.565 0.002 A 12 CYS CA C 13 55.151 0.000 A 12 CYS CB C 13 47.576 0.015 A 12 CYS N N 15 124.266 0.000 A 13 TYR H H 1 9.171 0.001 A 13 TYR HA H 1 4.800 0.006 A 13 TYR HBy H 1 3.065 0.008 A 13 TYR HBx H 1 2.911 0.002 A 13 TYR HDx H 1 7.013 0.004 A 13 TYR HDy H 1 7.013 0.004 A 13 TYR HEx H 1 6.729 0.003 A 13 TYR HEy H 1 6.729 0.003 A 13 TYR CA C 13 56.172 0.000 A 13 TYR CB C 13 40.674 0.000 A 13 TYR N N 15 120.929 0.000 A 14 ARG H H 1 8.613 0.001 A 14 ARG HA H 1 4.788 0.007 A 14 ARG HBy H 1 1.688 0.002 A 14 ARG HBx H 1 1.623 0.000 A 14 ARG HGy H 1 1.452 0.000 A 14 ARG HGx H 1 1.344 0.003 A 14 ARG CA C 13 55.886 0.000 A 14 ARG CB C 13 31.666 0.020 A 14 ARG CG C 13 27.875 0.000 A 14 ARG N N 15 121.309 0.000 A 15 LYS H H 1 8.746 0.001 A 15 LYS HA H 1 4.533 0.005 A 15 LYS HBy H 1 1.415 0.006 A 15 LYS HBx H 1 1.237 0.004 A 15 LYS HDx H 1 1.712 0.001 A 15 LYS HDy H 1 1.712 0.001 A 15 LYS HEx H 1 2.962 0.002 A 15 LYS HEy H 1 2.962 0.002 A 15 LYS HGy H 1 1.303 0.003 A 15 LYS HGx H 1 1.237 0.004 A 15 LYS CA C 13 55.425 0.000 A 15 LYS CB C 13 35.353 0.003 A 15 LYS CD C 13 29.210 0.000 A 15 LYS CE C 13 42.017 0.000 A 15 LYS CG C 13 24.994 0.008 A 15 LYS N N 15 127.925 0.000 A 16 CYS H H 1 8.663 0.000 A 16 CYS HA H 1 5.446 0.005 A 16 CYS HBy H 1 2.976 0.000 A 16 CYS HBx H 1 2.833 0.009 A 16 CYS CA C 13 55.155 0.000 A 16 CYS CB C 13 47.536 0.000 A 17 ARG H H 1 8.868 0.004 A 17 ARG HA H 1 4.526 0.000 A 17 ARG HBy H 1 1.989 0.006 A 17 ARG HBx H 1 1.855 0.003 A 17 ARG HDx H 1 3.227 0.004 A 17 ARG HDy H 1 3.227 0.004 A 17 ARG HGx H 1 1.788 0.002 A 17 ARG HGy H 1 1.788 0.002 A 17 ARG CA C 13 54.707 0.000 A 17 ARG CB C 13 32.365 0.004 A 17 ARG CD C 13 43.522 0.000 A 17 ARG CG C 13 27.266 0.000 A 17 ARG N N 15 122.900 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 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 10 GLY H A 11 ILE H 1.0 1.8 3.84 2 2 A 11 ILE HB A 11 ILE HD1% 1.0 1.8 3.55 3 3 A 11 ILE HD1% A 11 ILE HA 1.0 1.8 3.32 4 4 A 11 ILE HA A 11 ILE HG2% 1.0 1.8 3.10 5 5 A 4 PHE HBx A 6 VAL HA 1.0 1.8 5.50 6 6 A 11 ILE H A 11 ILE HB 1.0 1.8 3.14 7 7 A 11 ILE H A 11 ILE HG1y 1.0 1.8 3.77 8 8 A 11 ILE H A 11 ILE HG1x 1.0 1.8 3.77 9 9 A 11 ILE H A 11 ILE HD1% 1.0 1.8 4.44 10 10 A 11 ILE H A 11 ILE HG2% 1.0 1.8 4.18 11 11 A 11 ILE H A 8 TYR HBy 1.0 1.8 4.37 12 12 A 11 ILE H A 7 CYS HBx 1.0 1.8 5.22 13 13 A 11 ILE H A 7 CYS HA 1.0 1.8 5.18 14 14 A 11 ILE H A 8 TYR H 1.0 1.8 3.63 15 15 A 11 ILE HG2% A 12 CYS HA 1.0 1.8 4.50 16 16 A 12 CYS H A 12 CYS HBy 1.0 1.8 3.39 17 17 A 11 ILE HB A 12 CYS H 1.0 1.8 4.70 18 18 A 11 ILE HG2% A 12 CYS H 1.0 1.8 3.74 19 19 A 13 TYR HD% A 14 ARG H 1.0 1.8 4.68 20 20 A 12 CYS HA A 13 TYR HD% 1.0 1.8 4.02 21 21 A 7 CYS HA A 13 TYR HD% 1.0 1.8 4.68 22 22 A 13 TYR HD% A 14 ARG HA 1.0 1.8 4.07 23 23 A 13 TYR HD% A 6 VAL HB 1.0 1.8 4.32 24 24 A 11 ILE HG2% A 13 TYR HD% 1.0 1.8 3.61 25 25 A 11 ILE HB A 13 TYR HE% 1.0 1.8 4.28 26 26 A 13 TYR HD% A 13 TYR H 1.0 1.8 3.63 27 27 A 12 CYS HA A 13 TYR H 1.0 1.8 2.60 28 28 A 7 CYS HA A 13 TYR H 1.0 1.8 3.75 29 29 A 13 TYR H A 5 ARG HA 1.0 1.8 4.48 30 30 A 14 ARG HA A 13 TYR H 1.0 1.8 4.87 31 31 A 13 TYR H A 13 TYR HBy 1.0 1.8 4.12 32 32 A 13 TYR H A 13 TYR HBx 1.0 1.8 3.59 33 33 A 13 TYR H A 12 CYS HBx 1.0 1.8 3.45 34 34 A 6 VAL HB A 13 TYR H 1.0 1.8 4.36 35 35 A 11 ILE HG2% A 13 TYR H 1.0 1.8 4.77 36 36 A 13 TYR H A 6 VAL H 1.0 1.8 3.37 37 37 A 8 TYR HD% A 9 ARG HBy 1.0 1.8 4.04 38 38 A 8 TYR HD% A 9 ARG HGy 1.0 1.8 4.78 39 39 A 8 TYR HD% A 9 ARG HGx 1.0 1.8 4.78 40 40 A 8 TYR HD% A 6 VAL HGy% 1.0 1.8 5.50 41 41 A 9 ARG HBy A 8 TYR HE% 1.0 1.8 5.08 42 42 A 8 TYR HE% A 6 VAL HGx% 1.0 1.8 4.73 43 43 A 8 TYR H A 8 TYR HD% 1.0 1.8 4.60 44 44 A 11 ILE HB A 8 TYR H 1.0 1.8 4.83 45 45 A 7 CYS HBx A 8 TYR H 1.0 1.8 3.84 46 46 A 8 TYR H A 8 TYR HBx 1.0 1.8 3.44 47 47 A 8 TYR HBy A 8 TYR H 1.0 1.8 3.85 48 48 A 8 TYR H A 12 CYS HA 1.0 1.8 4.05 49 49 A 7 CYS HA A 8 TYR H 1.0 1.8 2.77 50 50 A 11 ILE HA A 12 CYS H 1.0 1.8 2.75 51 51 A 6 VAL H A 6 VAL HGy% 1.0 1.8 3.59 52 52 A 6 VAL HB A 6 VAL H 1.0 1.8 3.35 53 53 A 6 VAL H A 5 ARG HGy 1.0 1.8 4.08 54 54 A 6 VAL H A 5 ARG HGx 1.0 1.8 4.08 55 55 A 13 TYR HBy A 6 VAL H 1.0 1.8 5.28 56 56 A 4 PHE HBx A 6 VAL H 1.0 1.8 5.50 57 57 A 13 TYR HBx A 6 VAL H 1.0 1.8 5.50 58 58 A 12 CYS HBx A 6 VAL H 1.0 1.8 5.08 59 59 A 12 CYS HA A 6 VAL H 1.0 1.8 4.67 60 60 A 5 ARG HA A 6 VAL H 1.0 1.8 2.51 61 61 A 5 ARG HA A 5 ARG HDx 1.0 1.8 5.50 62 62 A 5 ARG HA A 5 ARG HDy 1.0 1.8 5.50 63 63 A 4 PHE HBx A 5 ARG HA 1.0 1.8 4.55 64 64 A 5 ARG HA A 5 ARG HGy 1.0 1.8 3.94 65 65 A 5 ARG HA A 5 ARG HGx 1.0 1.8 3.94 66 66 A 10 GLY H A 9 ARG HBx 1.0 1.8 4.81 67 67 A 5 ARG H A 5 ARG HBy 1.0 1.8 3.63 68 68 A 5 ARG H A 5 ARG HBx 1.0 1.8 3.63 69 69 A 4 PHE HBx A 5 ARG H 1.0 1.8 3.25 70 70 A 5 ARG H A 4 PHE HD% 1.0 1.8 4.79 71 71 A 4 PHE H A 4 PHE HE% 1.0 1.8 4.75 72 72 A 4 PHE HD% A 4 PHE H 1.0 1.8 3.83 73 73 A 4 PHE HD% A 3 CYS HA 1.0 1.8 3.94 74 74 A 4 PHE HE% A 15 LYS HDx 1.0 1.8 4.91 75 75 A 4 PHE HE% A 15 LYS HDy 1.0 1.8 4.91 76 76 A 6 VAL HB A 4 PHE HE% 1.0 1.8 5.07 77 77 A 4 PHE HE% A 15 LYS HBy 1.0 1.8 4.66 78 78 A 4 PHE HE% A 15 LYS HBx 1.0 1.8 4.66 79 79 A 6 VAL HGy% A 4 PHE HE% 1.0 1.8 3.49 80 80 A 4 PHE HD% A 15 LYS HDx 1.0 1.8 5.50 81 81 A 4 PHE HD% A 15 LYS HDy 1.0 1.8 5.50 82 82 A 6 VAL HB A 4 PHE HD% 1.0 1.8 4.89 83 83 A 4 PHE HD% A 15 LYS HBy 1.0 1.8 5.15 84 84 A 4 PHE HD% A 15 LYS HBx 1.0 1.8 5.15 85 85 A 6 VAL HGy% A 4 PHE HD% 1.0 1.8 3.60 86 86 A 4 PHE H A 3 CYS HA 1.0 1.8 2.67 87 87 A 4 PHE H A 4 PHE HBy 1.0 1.8 3.32 88 88 A 2 TRP HA A 2 TRP HD1 1.0 1.8 4.36 89 89 A 2 TRP HD1 A 2 TRP HBy 1.0 1.8 3.86 90 90 A 4 PHE HE% A 3 CYS HA 1.0 1.8 4.86 91 91 A 15 LYS HA A 15 LYS HGx 1.0 1.8 4.03 92 92 A 6 VAL HGy% A 15 LYS H 1.0 1.8 4.30 93 93 A 15 LYS H A 14 ARG HBy 1.0 1.8 4.68 94 94 A 15 LYS H A 14 ARG HBx 1.0 1.8 4.68 95 95 A 5 ARG HA A 15 LYS H 1.0 1.8 4.04 96 96 A 14 ARG H A 14 ARG HBy 1.0 1.8 3.80 97 97 A 14 ARG H A 14 ARG HBx 1.0 1.8 3.80 98 98 A 11 ILE HG2% A 8 TYR HBy 1.0 1.8 4.57 99 99 A 11 ILE HG2% A 13 TYR HBx 1.0 1.8 4.56 100 100 A 6 VAL HA A 4 PHE HD% 1.0 1.8 4.94 101 101 A 9 ARG HA A 9 ARG HDx 1.0 1.8 5.50 102 102 A 9 ARG HA A 9 ARG HDy 1.0 1.8 5.50 103 103 A 12 CYS HA A 8 TYR HBx 1.0 1.8 5.39 104 104 A 7 CYS HBx A 12 CYS HA 1.0 1.8 4.65 105 105 A 13 TYR HD% A 15 LYS HDx 1.0 1.8 5.50 106 106 A 13 TYR HD% A 15 LYS HDy 1.0 1.8 5.50 107 107 A 13 TYR HD% A 15 LYS HBy 1.0 1.8 5.50 108 108 A 13 TYR HD% A 15 LYS HBx 1.0 1.8 5.50 109 109 A 6 VAL HB A 13 TYR HE% 1.0 1.8 4.36 110 110 A 13 TYR HE% A 6 VAL HGy% 1.0 1.8 3.67 111 111 A 13 TYR HD% A 15 LYS HA 1.0 1.8 4.73 112 112 A 13 TYR HE% A 15 LYS HA 1.0 1.8 4.96 113 113 A 13 TYR HD% A 13 TYR HA 1.0 1.8 4.03 114 114 A 8 TYR HD% A 8 TYR HA 1.0 1.8 3.40 115 115 A 7 CYS HA A 8 TYR HBx 1.0 1.8 4.35 116 116 A 7 CYS HA A 12 CYS HBx 1.0 1.8 4.79 117 117 A 5 ARG HA A 6 VAL HGy% 1.0 1.8 4.67 118 118 A 15 LYS HA A 15 LYS HDx 1.0 1.8 5.42 119 119 A 15 LYS HA A 15 LYS HDy 1.0 1.8 5.42 120 120 A 15 LYS HA A 15 LYS HGy 1.0 1.8 4.03 121 121 A 2 TRP HD1 A 2 TRP HBx 1.0 1.8 3.86 122 122 A 4 PHE H A 3 CYS HBy 1.0 1.8 3.33 123 122 A 4 PHE H A 3 CYS HBx 1.0 1.8 3.33 124 123 A 3 CYS HBy A 14 ARG HBy 1.0 1.8 4.05 125 123 A 3 CYS HBx A 14 ARG HBy 1.0 1.8 4.05 126 123 A 14 ARG HBx A 3 CYS HBy 1.0 1.8 4.05 127 123 A 3 CYS HBx A 14 ARG HBx 1.0 1.8 4.05 128 124 A 3 CYS HBy A 14 ARG HGy 1.0 1.8 4.38 129 124 A 3 CYS HBx A 14 ARG HGy 1.0 1.8 4.38 130 124 A 14 ARG HGx A 3 CYS HBy 1.0 1.8 4.38 131 124 A 3 CYS HBx A 14 ARG HGx 1.0 1.8 4.38 132 125 A 4 PHE HD% A 15 LYS HBy 1.0 1.8 4.45 133 125 A 4 PHE HD% A 15 LYS HBx 1.0 1.8 4.45 134 126 A 4 PHE HD% A 15 LYS HGy 1.0 1.8 5.32 135 126 A 4 PHE HD% A 15 LYS HGx 1.0 1.8 5.32 136 127 A 4 PHE HE% A 15 LYS HGy 1.0 1.8 4.83 137 127 A 4 PHE HE% A 15 LYS HGx 1.0 1.8 4.83 138 128 A 4 PHE HE% A 15 LYS HDy 1.0 1.8 4.17 139 128 A 4 PHE HE% A 15 LYS HDx 1.0 1.8 4.17 140 129 A 5 ARG HA A 5 ARG HDx 1.0 1.8 4.75 141 129 A 5 ARG HA A 5 ARG HDy 1.0 1.8 4.75 142 130 A 5 ARG HBy A 5 ARG HGx 1.0 1.8 2.29 143 130 A 5 ARG HBx A 5 ARG HGx 1.0 1.8 2.29 144 130 A 5 ARG HGy A 5 ARG HBy 1.0 1.8 2.29 145 130 A 5 ARG HBx A 5 ARG HGy 1.0 1.8 2.29 146 131 A 5 ARG HBx A 5 ARG HDx 1.0 1.8 2.95 147 131 A 5 ARG HBy A 5 ARG HDx 1.0 1.8 2.95 148 131 A 5 ARG HDy A 5 ARG HBy 1.0 1.8 2.95 149 131 A 5 ARG HDy A 5 ARG HBx 1.0 1.8 2.95 150 132 A 6 VAL H A 5 ARG HBy 1.0 1.8 4.20 151 132 A 6 VAL H A 5 ARG HBx 1.0 1.8 4.20 152 133 A 13 TYR H A 5 ARG HGx 1.0 1.8 4.68 153 133 A 13 TYR H A 5 ARG HGy 1.0 1.8 4.68 154 134 A 6 VAL HGx% A 15 LYS HDy 1.0 1.8 4.80 155 134 A 6 VAL HGx% A 15 LYS HDx 1.0 1.8 4.80 156 135 A 6 VAL HGy% A 15 LYS HDy 1.0 1.8 3.91 157 135 A 6 VAL HGy% A 15 LYS HDx 1.0 1.8 3.91 158 136 A 8 TYR HBy A 9 ARG HGx 1.0 1.8 4.46 159 136 A 8 TYR HBy A 9 ARG HGy 1.0 1.8 4.46 160 137 A 8 TYR HD% A 9 ARG HGx 1.0 1.8 3.90 161 137 A 8 TYR HD% A 9 ARG HGy 1.0 1.8 3.90 162 138 A 8 TYR HE% A 9 ARG HGx 1.0 1.8 4.88 163 138 A 8 TYR HE% A 9 ARG HGy 1.0 1.8 4.88 164 139 A 9 ARG HA A 9 ARG HGx 1.0 1.8 3.60 165 139 A 9 ARG HA A 9 ARG HGy 1.0 1.8 3.60 166 140 A 9 ARG HA A 9 ARG HDx 1.0 1.8 4.78 167 140 A 9 ARG HA A 9 ARG HDy 1.0 1.8 4.78 168 141 A 11 ILE HA A 11 ILE HG1x 1.0 1.8 3.67 169 141 A 11 ILE HA A 11 ILE HG1y 1.0 1.8 3.67 170 142 A 11 ILE HG2% A 11 ILE HG1x 1.0 1.8 3.40 171 142 A 11 ILE HG2% A 11 ILE HG1y 1.0 1.8 3.40 172 143 A 13 TYR HD% A 15 LYS HBy 1.0 1.8 4.63 173 143 A 13 TYR HD% A 15 LYS HBx 1.0 1.8 4.63 174 144 A 13 TYR HD% A 15 LYS HGy 1.0 1.8 5.34 175 144 A 13 TYR HD% A 15 LYS HGx 1.0 1.8 5.34 176 145 A 13 TYR HD% A 15 LYS HDy 1.0 1.8 4.69 177 145 A 13 TYR HD% A 15 LYS HDx 1.0 1.8 4.69 178 146 A 13 TYR HE% A 15 LYS HBy 1.0 1.8 4.78 179 146 A 13 TYR HE% A 15 LYS HBx 1.0 1.8 4.78 180 147 A 13 TYR HE% A 15 LYS HGy 1.0 1.8 4.58 181 147 A 13 TYR HE% A 15 LYS HGx 1.0 1.8 4.58 182 148 A 13 TYR HE% A 15 LYS HDy 1.0 1.8 4.35 183 148 A 13 TYR HE% A 15 LYS HDx 1.0 1.8 4.35 184 149 A 15 LYS H A 14 ARG HBy 1.0 1.8 3.97 185 149 A 15 LYS H A 14 ARG HBx 1.0 1.8 3.97 186 150 A 15 LYS H A 15 LYS HBy 1.0 1.8 3.63 187 150 A 15 LYS H A 15 LYS HBx 1.0 1.8 3.63 188 151 A 15 LYS H A 15 LYS HGy 1.0 1.8 4.18 189 151 A 15 LYS H A 15 LYS HGx 1.0 1.8 4.18 190 152 A 15 LYS HA A 15 LYS HDy 1.0 1.8 4.73 191 152 A 15 LYS HA A 15 LYS HDx 1.0 1.8 4.73 192 153 A 15 LYS HA A 15 LYS HEx 1.0 1.8 4.63 193 153 A 15 LYS HA A 15 LYS HEy 1.0 1.8 4.63 194 154 A 15 LYS HBx A 15 LYS HEx 1.0 1.8 4.80 195 154 A 15 LYS HBy A 15 LYS HEx 1.0 1.8 4.80 196 154 A 15 LYS HEy A 15 LYS HBy 1.0 1.8 4.80 197 154 A 15 LYS HBx A 15 LYS HEy 1.0 1.8 4.80 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 LYS C A 2 TRP N A 2 TRP CA A 2 TRP C 1.0 -110.0 -50.0 PHI 2 2 A 2 TRP N A 2 TRP CA A 2 TRP C A 3 CYS N 1.0 110.0 170.0 PSI 3 3 A 2 TRP C A 3 CYS N A 3 CYS CA A 3 CYS C 1.0 -150.0 -110.0 PHI 4 4 A 3 CYS N A 3 CYS CA A 3 CYS C A 4 PHE N 1.0 130.0 170.0 PSI 5 5 A 3 CYS C A 4 PHE N A 4 PHE CA A 4 PHE C 1.0 -150.0 -70.0 PHI 6 6 A 4 PHE N A 4 PHE CA A 4 PHE C A 5 ARG N 1.0 100.0 160.0 PSI 7 7 A 4 PHE C A 5 ARG N A 5 ARG CA A 5 ARG C 1.0 -140.0 -80.0 PHI 8 8 A 5 ARG N A 5 ARG CA A 5 ARG C A 6 VAL N 1.0 100.0 160.0 PSI 9 9 A 5 ARG C A 6 VAL N A 6 VAL CA A 6 VAL C 1.0 -130.0 -70.0 PHI 10 10 A 6 VAL N A 6 VAL CA A 6 VAL C A 7 CYS N 1.0 100.0 160.0 PSI 11 11 A 6 VAL C A 7 CYS N A 7 CYS CA A 7 CYS C 1.0 -150.0 -110.0 PHI 12 12 A 7 CYS N A 7 CYS CA A 7 CYS C A 8 TYR N 1.0 110.0 170.0 PSI 13 13 A 7 CYS C A 8 TYR N A 8 TYR CA A 8 TYR C 1.0 -150.0 -90.0 PHI 14 14 A 8 TYR N A 8 TYR CA A 8 TYR C A 9 ARG N 1.0 90.0 150.0 PSI 15 15 A 8 TYR C A 9 ARG N A 9 ARG CA A 9 ARG C 1.0 30.0 70.0 PHI 16 16 A 9 ARG N A 9 ARG CA A 9 ARG C A 10 GLY N 1.0 10.0 70.0 PSI 17 17 A 9 ARG C A 10 GLY N A 10 GLY CA A 10 GLY C 1.0 60.0 100.0 PHI 18 18 A 10 GLY N A 10 GLY CA A 10 GLY C A 11 ILE N 1.0 -30.0 30.0 PSI 19 19 A 10 GLY C A 11 ILE N A 11 ILE CA A 11 ILE C 1.0 -130.0 -70.0 PHI 20 20 A 11 ILE N A 11 ILE CA A 11 ILE C A 12 CYS N 1.0 100.0 160.0 PSI 21 21 A 11 ILE C A 12 CYS N A 12 CYS CA A 12 CYS C 1.0 -160.0 -100.0 PHI 22 22 A 12 CYS N A 12 CYS CA A 12 CYS C A 13 TYR N 1.0 110.0 170.0 PSI 23 23 A 12 CYS C A 13 TYR N A 13 TYR CA A 13 TYR C 1.0 -150.0 -90.0 PHI 24 24 A 13 TYR N A 13 TYR CA A 13 TYR C A 14 ARG N 1.0 110.0 170.0 PSI 25 25 A 13 TYR C A 14 ARG N A 14 ARG CA A 14 ARG C 1.0 -120.0 -60.0 PHI 26 26 A 14 ARG N A 14 ARG CA A 14 ARG C A 15 LYS N 1.0 90.0 150.0 PSI 27 27 A 14 ARG C A 15 LYS N A 15 LYS CA A 15 LYS C 1.0 -140.0 -80.0 PHI 28 28 A 15 LYS N A 15 LYS CA A 15 LYS C A 16 CYS N 1.0 100.0 160.0 PSI 29 29 A 15 LYS C A 16 CYS N A 16 CYS CA A 16 CYS C 1.0 -160.0 -100.0 PHI 30 30 A 16 CYS N A 16 CYS CA A 16 CYS C A 17 ARG N 1.0 120.0 175.0 PSI 31 31 A 3 CYS N A 3 CYS CA A 3 CYS CB A 3 CYS SG 1.0 -90.0 -30.0 CHI1 32 32 A 7 CYS N A 7 CYS CA A 7 CYS CB A 7 CYS SG 1.0 -90.0 -30.0 CHI1 33 33 A 12 CYS N A 12 CYS CA A 12 CYS CB A 12 CYS SG 1.0 -90.0 -30.0 CHI1 34 34 A 16 CYS N A 16 CYS CA A 16 CYS CB A 16 CYS SG 1.0 -90.0 -30.0 CHI1 stop_ save_