data_nef_c30619_6pin 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 6PIN 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 1 LYS N 1 18 GLY C 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 cyclic -H2 . 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 ARG middle . . 16 A 16 CYS middle -HG . 17 A 17 ARG middle . . 18 A 18 GLY cyclic -OXT false 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 H1 H 1 8.703 0.002 A 1 LYS HA H 1 4.187 0.007 A 1 LYS HBy H 1 1.750 0.007 A 1 LYS HBx H 1 1.534 0.007 A 1 LYS HDx H 1 1.535 0.009 A 1 LYS HDy H 1 1.535 0.009 A 1 LYS HEx H 1 2.852 0.008 A 1 LYS HEy H 1 2.852 0.008 A 1 LYS HGy H 1 1.215 0.008 A 1 LYS HGx H 1 1.108 0.009 A 1 LYS HZ1 H 1 7.475 0.001 A 1 LYS HZ2 H 1 7.475 0.001 A 1 LYS HZ3 H 1 7.475 0.001 A 1 LYS CA C 13 56.449 0.000 A 1 LYS CB C 13 32.145 0.012 A 1 LYS CD C 13 28.895 0.000 A 1 LYS CE C 13 41.717 0.000 A 1 LYS CG C 13 24.364 0.012 A 1 LYS N N 15 121.573 0.000 A 2 TRP H H 1 7.826 0.004 A 2 TRP HA H 1 4.913 0.009 A 2 TRP HBy H 1 3.508 0.009 A 2 TRP HBx H 1 3.266 0.006 A 2 TRP HD1 H 1 7.320 0.001 A 2 TRP HE1 H 1 10.135 0.004 A 2 TRP HE3 H 1 7.757 0.004 A 2 TRP HH2 H 1 7.100 0.003 A 2 TRP HZ2 H 1 7.398 0.004 A 2 TRP CA C 13 56.309 0.000 A 2 TRP CB C 13 29.864 0.012 A 2 TRP N N 15 122.618 0.000 A 2 TRP NE1 N 15 129.038 0.000 A 3 CYS H H 1 8.359 0.003 A 3 CYS HA H 1 5.395 0.013 A 3 CYS HBy H 1 2.912 0.013 A 3 CYS HBx H 1 2.473 0.008 A 3 CYS CA C 13 55.365 0.000 A 3 CYS CB C 13 47.854 0.007 A 3 CYS N N 15 123.700 0.000 A 4 PHE H H 1 8.727 0.008 A 4 PHE HA H 1 4.790 0.013 A 4 PHE HBy H 1 2.930 0.007 A 4 PHE HBx H 1 2.926 0.003 A 4 PHE HDx H 1 6.691 0.002 A 4 PHE HDy H 1 6.691 0.002 A 4 PHE HEx H 1 6.995 0.002 A 4 PHE HEy H 1 6.995 0.002 A 4 PHE CA C 13 55.628 0.000 A 4 PHE CB C 13 40.839 0.000 A 4 PHE N N 15 127.686 0.000 A 5 ARG H H 1 8.586 0.001 A 5 ARG HA H 1 4.956 0.008 A 5 ARG HBy H 1 1.699 0.014 A 5 ARG HBx H 1 1.625 0.008 A 5 ARG HDx H 1 3.092 0.010 A 5 ARG HDy H 1 3.094 0.009 A 5 ARG HE H 1 7.173 0.003 A 5 ARG HGy H 1 1.486 0.008 A 5 ARG HGx H 1 1.405 0.008 A 5 ARG CA C 13 55.125 0.000 A 5 ARG CB C 13 32.165 0.003 A 5 ARG CD C 13 43.781 0.000 A 5 ARG CG C 13 27.898 0.004 A 5 ARG N N 15 123.915 0.000 A 6 VAL H H 1 8.882 0.004 A 6 VAL HA H 1 4.348 0.009 A 6 VAL HB H 1 1.681 0.014 A 6 VAL HGx% H 1 0.882 0.008 A 6 VAL HGy% H 1 0.882 0.009 A 6 VAL CA C 13 60.864 0.000 A 6 VAL CB C 13 34.477 0.000 A 6 VAL CGx C 13 20.919 0.000 A 6 VAL CGy C 13 20.919 0.000 A 6 VAL N N 15 126.206 0.000 A 7 CYS H H 1 8.656 0.002 A 7 CYS HA H 1 5.614 0.007 A 7 CYS HBy H 1 3.018 0.006 A 7 CYS HBx H 1 2.635 0.009 A 7 CYS CA C 13 55.184 0.000 A 7 CYS CB C 13 48.591 0.004 A 7 CYS N N 15 122.049 0.000 A 8 TYR H H 1 9.107 0.002 A 8 TYR HA H 1 4.718 0.010 A 8 TYR HBx H 1 3.023 0.009 A 8 TYR HBy H 1 3.025 0.012 A 8 TYR HDx H 1 6.817 0.003 A 8 TYR HDy H 1 6.817 0.003 A 8 TYR HEx H 1 7.213 0.008 A 8 TYR HEy H 1 7.213 0.008 A 8 TYR CA C 13 57.511 0.000 A 8 TYR CB C 13 40.692 0.000 A 8 TYR N N 15 123.566 0.000 A 9 ARG H H 1 9.250 0.001 A 9 ARG HA H 1 3.694 0.006 A 9 ARG HBy H 1 1.903 0.008 A 9 ARG HBx H 1 1.592 0.009 A 9 ARG HDx H 1 3.042 0.008 A 9 ARG HDy H 1 3.042 0.008 A 9 ARG HE H 1 7.015 0.002 A 9 ARG HGy H 1 1.225 0.010 A 9 ARG HGx H 1 0.922 0.010 A 9 ARG CA C 13 57.085 0.000 A 9 ARG CB C 13 27.910 0.003 A 9 ARG CD C 13 43.540 0.000 A 9 ARG CG C 13 27.310 0.016 A 9 ARG N N 15 125.530 0.000 A 10 GLY H H 1 8.554 0.005 A 10 GLY HAy H 1 4.137 0.007 A 10 GLY HAx H 1 3.541 0.013 A 10 GLY CA C 13 45.169 0.025 A 11 ILE H H 1 7.773 0.004 A 11 ILE HA H 1 4.288 0.006 A 11 ILE HB H 1 1.991 0.007 A 11 ILE HD1% H 1 0.864 0.005 A 11 ILE HG1y H 1 1.493 0.009 A 11 ILE HG1x H 1 1.152 0.007 A 11 ILE HG2% H 1 0.760 0.005 A 11 ILE CA C 13 59.965 0.000 A 11 ILE CB C 13 38.876 0.000 A 11 ILE CD1 C 13 12.077 0.000 A 11 ILE CG1 C 13 27.039 0.026 A 11 ILE CG2 C 13 17.294 0.000 A 12 CYS H H 1 8.569 0.002 A 12 CYS HA H 1 5.681 0.010 A 12 CYS HBy H 1 2.923 0.007 A 12 CYS HBx H 1 2.522 0.007 A 12 CYS CA C 13 55.061 0.000 A 12 CYS CB C 13 47.647 0.015 A 12 CYS N N 15 123.897 0.000 A 13 TYR H H 1 9.160 0.003 A 13 TYR HA H 1 4.735 0.016 A 13 TYR HBy H 1 3.038 0.012 A 13 TYR HBx H 1 2.834 0.008 A 13 TYR HDx H 1 6.707 0.005 A 13 TYR HDy H 1 6.707 0.005 A 13 TYR HEx H 1 7.008 0.003 A 13 TYR HEy H 1 7.008 0.003 A 13 TYR CA C 13 56.168 0.000 A 13 TYR CB C 13 40.857 0.003 A 13 TYR N N 15 123.545 0.000 A 14 ARG H H 1 8.651 0.002 A 14 ARG HA H 1 4.803 0.015 A 14 ARG HBy H 1 1.695 0.007 A 14 ARG HBx H 1 1.580 0.006 A 14 ARG HDx H 1 3.072 0.008 A 14 ARG HDy H 1 3.072 0.008 A 14 ARG HE H 1 7.160 0.000 A 14 ARG HGy H 1 1.407 0.005 A 14 ARG HGx H 1 1.307 0.007 A 14 ARG CA C 13 55.177 0.000 A 14 ARG CB C 13 31.505 0.001 A 14 ARG CD C 13 43.552 0.000 A 14 ARG CG C 13 27.929 0.003 A 14 ARG N N 15 121.953 0.000 A 15 ARG H H 1 8.712 0.002 A 15 ARG HA H 1 4.522 0.005 A 15 ARG HBy H 1 1.417 0.008 A 15 ARG HBx H 1 1.254 0.007 A 15 ARG HDy H 1 3.209 0.007 A 15 ARG HDx H 1 3.121 0.008 A 15 ARG HE H 1 7.145 0.004 A 15 ARG HGy H 1 1.531 0.011 A 15 ARG HGx H 1 1.411 0.014 A 15 ARG CA C 13 54.193 0.000 A 15 ARG CB C 13 33.265 0.007 A 15 ARG CD C 13 43.248 0.003 A 15 ARG CG C 13 27.058 0.011 A 15 ARG N N 15 127.686 0.000 A 16 CYS H H 1 8.603 0.002 A 16 CYS HA H 1 5.392 0.009 A 16 CYS HBx H 1 2.900 0.011 A 16 CYS HBy H 1 2.900 0.011 A 16 CYS CA C 13 55.731 0.000 A 16 CYS CB C 13 48.295 0.000 A 16 CYS N N 15 121.337 0.000 A 17 ARG H H 1 9.201 0.004 A 17 ARG HA H 1 4.564 0.006 A 17 ARG HBy H 1 2.071 0.007 A 17 ARG HBx H 1 1.944 0.005 A 17 ARG HDx H 1 3.305 0.007 A 17 ARG HDy H 1 3.305 0.007 A 17 ARG HE H 1 7.293 0.001 A 17 ARG HGy H 1 1.762 0.006 A 17 ARG HGx H 1 1.677 0.006 A 17 ARG CA C 13 55.201 0.000 A 17 ARG CB C 13 31.218 0.006 A 17 ARG CD C 13 43.555 0.000 A 17 ARG CG C 13 27.199 0.006 A 17 ARG N N 15 121.031 0.000 A 18 GLY H H 1 8.948 0.002 A 18 GLY HAy H 1 4.073 0.007 A 18 GLY HAx H 1 3.643 0.005 A 18 GLY CA C 13 46.606 0.016 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 9 ARG H A 9 ARG HA 1.0 1.8 2.54 2 2 A 9 ARG HA A 10 GLY H 1.0 1.8 3.08 3 3 A 6 VAL HA A 7 CYS H 1.0 1.8 2.43 4 4 A 7 CYS HA A 8 TYR H 1.0 1.8 2.44 5 5 A 9 ARG H A 8 TYR HA 1.0 1.8 2.74 6 6 A 5 ARG HA A 6 VAL H 1.0 1.8 2.43 7 7 A 3 CYS HA A 4 PHE H 1.0 1.8 2.41 8 8 A 2 TRP HA A 3 CYS H 1.0 1.8 2.49 9 9 A 11 ILE HA A 12 CYS H 1.0 1.8 2.43 10 10 A 12 CYS HA A 13 TYR H 1.0 1.8 2.45 11 11 A 15 ARG HA A 16 CYS H 1.0 1.8 2.51 12 12 A 13 TYR HA A 14 ARG H 1.0 1.8 3.08 13 13 A 16 CYS HA A 17 ARG H 1.0 1.8 2.46 14 14 A 17 ARG HA A 18 GLY H 1.0 1.8 2.60 15 15 A 2 TRP H A 2 TRP HBx 1.0 1.8 3.04 16 16 A 2 TRP H A 2 TRP HBy 1.0 1.8 3.09 17 17 A 2 TRP HBy A 2 TRP HD1 1.0 1.8 3.42 18 18 A 6 VAL H A 6 VAL HB 1.0 1.8 3.23 19 19 A 13 TYR H A 13 TYR HBx 1.0 1.8 3.85 20 20 A 13 TYR H A 13 TYR HBy 1.0 1.8 3.99 21 21 A 3 CYS H A 3 CYS HBy 1.0 1.8 3.08 22 22 A 3 CYS H A 3 CYS HBx 1.0 1.8 3.98 23 23 A 7 CYS H A 7 CYS HBy 1.0 1.8 2.83 24 24 A 7 CYS H A 7 CYS HBx 1.0 1.8 3.87 25 25 A 12 CYS H A 12 CYS HBx 1.0 1.8 3.92 26 26 A 13 TYR H A 12 CYS HBx 1.0 1.8 3.29 27 27 A 16 CYS H A 16 CYS HBx 1.0 1.8 2.86 28 28 A 1 LYS HA A 1 LYS HGy 1.0 1.8 4.10 29 29 A 1 LYS HA A 1 LYS HGx 1.0 1.8 4.10 30 30 A 2 TRP H A 1 LYS HBy 1.0 1.8 5.04 31 31 A 2 TRP H A 1 LYS HBx 1.0 1.8 5.04 32 32 A 2 TRP H A 1 LYS HGy 1.0 1.8 4.83 33 33 A 2 TRP H A 1 LYS HGx 1.0 1.8 4.83 34 34 A 5 ARG HA A 5 ARG HGy 1.0 1.8 3.73 35 35 A 5 ARG HA A 5 ARG HGx 1.0 1.8 3.73 36 36 A 15 ARG H A 15 ARG HBx 1.0 1.8 3.92 37 37 A 15 ARG H A 15 ARG HBy 1.0 1.8 3.14 38 38 A 15 ARG HA A 15 ARG HGy 1.0 1.8 3.70 39 39 A 15 ARG HBy A 15 ARG HE 1.0 1.8 4.82 40 40 A 15 ARG HBx A 15 ARG HE 1.0 1.8 4.23 41 41 A 15 ARG HA A 15 ARG HE 1.0 1.8 5.24 42 42 A 5 ARG H A 5 ARG HBy 1.0 1.8 3.09 43 43 A 5 ARG H A 5 ARG HBx 1.0 1.8 3.09 44 44 A 5 ARG HE A 5 ARG HBx 1.0 1.8 4.97 45 45 A 5 ARG HA A 5 ARG HE 1.0 1.8 5.26 46 46 A 8 TYR HA A 8 TYR HD% 1.0 1.8 3.42 47 47 A 9 ARG H A 8 TYR HBy 1.0 1.8 4.32 48 48 A 9 ARG H A 9 ARG HBy 1.0 1.8 4.20 49 49 A 9 ARG H A 9 ARG HBx 1.0 1.8 4.20 50 50 A 9 ARG H A 9 ARG HGy 1.0 1.8 3.78 51 51 A 9 ARG H A 9 ARG HGx 1.0 1.8 3.78 52 52 A 9 ARG HA A 9 ARG HE 1.0 1.8 5.50 53 53 A 9 ARG HE A 9 ARG HBy 1.0 1.8 5.25 54 54 A 9 ARG HE A 9 ARG HBx 1.0 1.8 5.25 55 55 A 11 ILE H A 11 ILE HB 1.0 1.8 3.02 56 56 A 11 ILE H A 11 ILE HG1y 1.0 1.8 3.61 57 57 A 11 ILE H A 11 ILE HG1x 1.0 1.8 3.61 58 58 A 13 TYR H A 13 TYR HD% 1.0 1.8 3.42 59 59 A 13 TYR H A 13 TYR HE% 1.0 1.8 5.09 60 60 A 14 ARG H A 14 ARG HGy 1.0 1.8 5.01 61 61 A 14 ARG HA A 14 ARG HE 1.0 1.8 4.52 62 62 A 14 ARG H A 13 TYR HD% 1.0 1.8 4.44 63 63 A 17 ARG H A 17 ARG HBy 1.0 1.8 3.59 64 64 A 17 ARG H A 17 ARG HBx 1.0 1.8 3.59 65 65 A 17 ARG HE A 17 ARG HBy 1.0 1.8 5.50 66 66 A 17 ARG HE A 17 ARG HBx 1.0 1.8 5.50 67 67 A 17 ARG HA A 17 ARG HE 1.0 1.8 5.50 68 68 A 15 ARG HE A 15 ARG HGx 1.0 1.8 4.02 69 69 A 15 ARG HGy A 15 ARG HE 1.0 1.8 3.77 70 70 A 6 VAL H A 5 ARG HDx 1.0 1.8 5.50 71 71 A 6 VAL H A 5 ARG HDy 1.0 1.8 5.50 72 72 A 17 ARG H A 2 TRP HBx 1.0 1.8 4.18 73 73 A 3 CYS H A 2 TRP HBx 1.0 1.8 4.43 74 74 A 2 TRP HBy A 2 TRP HE3 1.0 1.8 3.76 75 75 A 2 TRP HBx A 2 TRP HE3 1.0 1.8 3.26 76 76 A 18 GLY HAy A 2 TRP H 1.0 1.8 5.43 77 77 A 18 GLY HAx A 2 TRP H 1.0 1.8 3.96 78 78 A 3 CYS HA A 4 PHE HD% 1.0 1.8 3.68 79 79 A 15 ARG H A 15 ARG HGy 1.0 1.8 3.62 80 80 A 2 TRP H A 16 CYS HBy 1.0 1.8 5.45 81 81 A 3 CYS H A 2 TRP H 1.0 1.8 4.79 82 82 A 4 PHE H A 3 CYS HBx 1.0 1.8 3.59 83 83 A 5 ARG HA A 5 ARG HDx 1.0 1.8 5.50 84 84 A 5 ARG HA A 5 ARG HDy 1.0 1.8 5.50 85 85 A 6 VAL H A 5 ARG HGy 1.0 1.8 4.11 86 86 A 6 VAL H A 5 ARG HGx 1.0 1.8 4.11 87 87 A 6 VAL H A 5 ARG H 1.0 1.8 5.08 88 88 A 5 ARG H A 5 ARG HDx 1.0 1.8 5.50 89 89 A 5 ARG H A 5 ARG HDy 1.0 1.8 5.50 90 90 A 5 ARG H A 5 ARG HGy 1.0 1.8 4.80 91 91 A 5 ARG H A 5 ARG HGx 1.0 1.8 4.80 92 92 A 7 CYS HA A 6 VAL H 1.0 1.8 5.26 93 93 A 8 TYR H A 7 CYS HBx 1.0 1.8 3.43 94 94 A 8 TYR H A 8 TYR HBx 1.0 1.8 3.54 95 95 A 8 TYR H A 8 TYR HBy 1.0 1.8 3.74 96 96 A 8 TYR HA A 8 TYR HBx 1.0 1.8 2.88 97 97 A 9 ARG HA A 8 TYR H 1.0 1.8 5.50 98 98 A 9 ARG H A 8 TYR HBx 1.0 1.8 4.92 99 99 A 9 ARG HA A 9 ARG HGy 1.0 1.8 4.01 100 100 A 9 ARG HA A 9 ARG HGx 1.0 1.8 4.01 101 101 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 9 ARG H A 10 GLY H 1.0 1.8 3.42 104 104 A 11 ILE HA A 11 ILE HG1x 1.0 1.8 3.93 105 105 A 11 ILE HA A 11 ILE HG1y 1.0 1.8 3.93 106 106 A 10 GLY H A 11 ILE H 1.0 1.8 3.13 107 107 A 11 ILE HG2% A 11 ILE HG1y 1.0 1.8 3.32 108 108 A 11 ILE HB A 11 ILE HD1% 1.0 1.8 3.17 109 109 A 11 ILE HG2% A 11 ILE HG1x 1.0 1.8 3.32 110 110 A 12 CYS H A 12 CYS HBy 1.0 1.8 2.82 111 111 A 11 ILE H A 11 ILE HD1% 1.0 1.8 3.87 112 112 A 11 ILE H A 11 ILE HG2% 1.0 1.8 4.00 113 113 A 12 CYS HA A 11 ILE H 1.0 1.8 5.45 114 114 A 11 ILE HA A 12 CYS HA 1.0 1.8 4.80 115 115 A 13 TYR H A 12 CYS HBy 1.0 1.8 4.07 116 116 A 12 CYS H A 13 TYR H 1.0 1.8 4.83 117 117 A 13 TYR H A 14 ARG H 1.0 1.8 4.40 118 118 A 14 ARG H A 14 ARG HGx 1.0 1.8 5.01 119 119 A 13 TYR H A 5 ARG HGx 1.0 1.8 5.12 120 120 A 13 TYR H A 6 VAL HB 1.0 1.8 4.56 121 121 A 15 ARG HA A 15 ARG HDy 1.0 1.8 3.88 122 122 A 15 ARG HA A 15 ARG HDx 1.0 1.8 3.88 123 123 A 16 CYS HA A 15 ARG HBx 1.0 1.8 4.59 124 124 A 16 CYS HA A 15 ARG HBy 1.0 1.8 5.10 125 125 A 16 CYS HBx A 15 ARG HBx 1.0 1.8 5.50 126 126 A 16 CYS H A 17 ARG H 1.0 1.8 4.66 127 127 A 17 ARG H A 17 ARG HDx 1.0 1.8 5.50 128 128 A 17 ARG H A 17 ARG HDy 1.0 1.8 5.50 129 129 A 17 ARG H A 17 ARG HGy 1.0 1.8 5.00 130 130 A 17 ARG H A 17 ARG HGx 1.0 1.8 5.00 131 131 A 17 ARG HA A 17 ARG HGy 1.0 1.8 3.98 132 132 A 17 ARG HA A 17 ARG HGx 1.0 1.8 3.98 133 133 A 17 ARG HA A 17 ARG HDx 1.0 1.8 5.50 134 134 A 17 ARG HA A 17 ARG HDy 1.0 1.8 5.50 135 135 A 17 ARG H A 18 GLY H 1.0 1.8 5.50 136 136 A 18 GLY H A 18 GLY HAy 1.0 1.8 2.84 137 137 A 18 GLY H A 17 ARG HBx 1.0 1.8 5.16 138 138 A 18 GLY H A 17 ARG HGx 1.0 1.8 5.37 139 139 A 18 GLY HAx A 17 ARG HA 1.0 1.8 4.96 140 140 A 17 ARG HA A 18 GLY HAy 1.0 1.8 4.52 141 141 A 5 ARG HA A 13 TYR H 1.0 1.8 5.07 142 142 A 8 TYR H A 11 ILE H 1.0 1.8 3.64 143 143 A 4 PHE H A 4 PHE HD% 1.0 1.8 3.56 144 144 A 5 ARG H A 4 PHE HD% 1.0 1.8 4.26 145 145 A 9 ARG H A 8 TYR HD% 1.0 1.8 4.18 146 146 A 8 TYR H A 8 TYR HD% 1.0 1.8 4.62 147 147 A 8 TYR H A 13 TYR HE% 1.0 1.8 5.28 148 148 A 6 VAL H A 13 TYR H 1.0 1.8 3.22 149 149 A 17 ARG H A 2 TRP H 1.0 1.8 4.31 150 150 A 9 ARG H A 11 ILE H 1.0 1.8 4.55 151 151 A 3 CYS H A 2 TRP HD1 1.0 1.8 4.70 152 152 A 7 CYS HA A 11 ILE H 1.0 1.8 5.31 153 153 A 6 VAL H A 13 TYR HBy 1.0 1.8 5.50 154 154 A 6 VAL H A 12 CYS HBx 1.0 1.8 4.57 155 155 A 6 VAL H A 12 CYS HBy 1.0 1.8 5.50 156 156 A 18 GLY H A 17 ARG HBy 1.0 1.8 5.16 157 157 A 8 TYR H A 11 ILE HB 1.0 1.8 4.19 158 158 A 12 CYS H A 11 ILE HB 1.0 1.8 4.36 159 159 A 18 GLY H A 17 ARG HGy 1.0 1.8 5.37 160 160 A 13 TYR H A 5 ARG HGy 1.0 1.8 5.12 161 161 A 6 VAL HB A 15 ARG H 1.0 1.8 5.04 162 162 A 16 CYS H A 15 ARG HBy 1.0 1.8 4.14 163 163 A 12 CYS H A 11 ILE HG2% 1.0 1.8 3.36 164 164 A 12 CYS H A 11 ILE HD1% 1.0 1.8 5.37 165 165 A 13 TYR H A 6 VAL HGx% 1.0 1.8 5.41 166 166 A 13 TYR H A 6 VAL HGy% 1.0 1.8 5.41 167 167 A 13 TYR H A 11 ILE HG2% 1.0 1.8 4.86 168 168 A 8 TYR H A 11 ILE HG2% 1.0 1.8 5.18 169 169 A 13 TYR HD% A 11 ILE HG2% 1.0 1.8 3.92 170 170 A 7 CYS HBx A 11 ILE H 1.0 1.8 5.50 171 171 A 8 TYR HBy A 11 ILE H 1.0 1.8 4.74 172 172 A 12 CYS HA A 7 CYS HBx 1.0 1.8 4.63 173 173 A 7 CYS HA A 12 CYS HBx 1.0 1.8 4.55 174 174 A 12 CYS HA A 7 CYS HBy 1.0 1.8 5.50 175 175 A 12 CYS HA A 8 TYR HBx 1.0 1.8 5.50 176 176 A 12 CYS HA A 8 TYR HBy 1.0 1.8 5.50 177 177 A 12 CYS HA A 11 ILE HG2% 1.0 1.8 4.65 178 178 A 7 CYS HA A 13 TYR HD% 1.0 1.8 5.50 179 179 A 3 CYS HA A 4 PHE HE% 1.0 1.8 5.33 180 180 A 16 CYS HA A 4 PHE HE% 1.0 1.8 5.50 181 181 A 17 ARG H A 4 PHE HE% 1.0 1.8 4.38 182 182 A 10 GLY H A 8 TYR H 1.0 1.8 4.21 183 183 A 4 PHE H A 17 ARG H 1.0 1.8 4.85 184 184 A 7 CYS H A 8 TYR H 1.0 1.8 4.66 185 185 A 4 PHE H A 3 CYS H 1.0 1.8 4.70 186 186 A 14 ARG H A 13 TYR HBy 1.0 1.8 3.07 187 187 A 3 CYS H A 2 TRP HBy 1.0 1.8 4.48 188 188 A 9 ARG HA A 11 ILE H 1.0 1.8 4.84 189 189 A 5 ARG HE A 5 ARG HBy 1.0 1.8 4.97 190 190 A 15 ARG HGy A 13 TYR HD% 1.0 1.8 4.01 191 191 A 11 ILE HB A 13 TYR HE% 1.0 1.8 4.41 192 192 A 6 VAL HB A 4 PHE HD% 1.0 1.8 5.40 193 193 A 6 VAL HB A 13 TYR HE% 1.0 1.8 5.50 194 194 A 3 CYS HA A 2 TRP H 1.0 1.8 5.50 195 195 A 16 CYS HA A 2 TRP H 1.0 1.8 5.50 196 196 A 18 GLY H A 2 TRP H 1.0 1.8 5.44 197 197 A 3 CYS H A 17 ARG H 1.0 1.8 5.04 198 198 A 2 TRP HD1 A 4 PHE HD% 1.0 1.8 5.10 199 199 A 6 VAL HA A 7 CYS HA 1.0 1.8 4.71 200 200 A 12 CYS HA A 13 TYR HD% 1.0 1.8 4.06 201 201 A 6 VAL HB A 13 TYR HD% 1.0 1.8 4.48 202 202 A 15 ARG HBx A 13 TYR HD% 1.0 1.8 4.79 203 203 A 13 TYR HD% A 15 ARG HGx 1.0 1.8 4.59 204 204 A 10 GLY H A 7 CYS HBx 1.0 1.8 4.13 205 205 A 10 GLY H A 7 CYS HBy 1.0 1.8 5.50 206 206 A 10 GLY H A 8 TYR HBy 1.0 1.8 5.50 207 207 A 6 VAL H A 12 CYS HA 1.0 1.8 4.73 208 208 A 3 CYS H A 4 PHE HD% 1.0 1.8 4.82 209 209 A 2 TRP HBy A 2 TRP HE1 1.0 1.8 5.11 210 210 A 7 CYS HA A 12 CYS H 1.0 1.8 4.65 211 211 A 11 ILE HA A 11 ILE HG2% 1.0 1.8 3.12 212 212 A 11 ILE HA A 11 ILE HD1% 1.0 1.8 4.04 213 213 A 15 ARG HA A 15 ARG HGx 1.0 1.8 3.92 214 214 A 15 ARG HBy A 13 TYR HE% 1.0 1.8 4.53 215 215 A 7 CYS HA A 13 TYR H 1.0 1.8 3.84 216 216 A 8 TYR H A 12 CYS HA 1.0 1.8 3.67 217 217 A 7 CYS HA A 12 CYS HA 1.0 1.8 2.71 218 218 A 15 ARG HGy A 13 TYR HE% 1.0 1.8 4.06 219 219 A 13 TYR HE% A 15 ARG HGx 1.0 1.8 4.38 220 220 A 13 TYR HE% A 11 ILE HG2% 1.0 1.8 3.81 221 221 A 13 TYR HE% A 8 TYR HBx 1.0 1.8 4.57 222 222 A 8 TYR HBy A 13 TYR HE% 1.0 1.8 4.75 223 223 A 15 ARG HBy A 13 TYR HD% 1.0 1.8 3.91 224 224 A 1 LYS HA A 1 LYS HGx 1.0 1.8 3.54 225 224 A 1 LYS HA A 1 LYS HGy 1.0 1.8 3.54 226 225 A 1 LYS HBy A 1 LYS HEx 1.0 1.8 4.46 227 225 A 1 LYS HEy A 1 LYS HBx 1.0 1.8 4.46 228 225 A 1 LYS HBy A 1 LYS HEy 1.0 1.8 4.46 229 225 A 1 LYS HBx A 1 LYS HEx 1.0 1.8 4.46 230 226 A 1 LYS HZ% A 1 LYS HBx 1.0 1.8 5.34 231 226 A 1 LYS HBy A 1 LYS HZ% 1.0 1.8 5.34 232 227 A 2 TRP H A 1 LYS HBx 1.0 1.8 4.22 233 227 A 2 TRP H A 1 LYS HBy 1.0 1.8 4.22 234 228 A 18 GLY HAx A 1 LYS HBx 1.0 1.8 4.82 235 228 A 18 GLY HAx A 1 LYS HBy 1.0 1.8 4.82 236 229 A 2 TRP H A 1 LYS HGx 1.0 1.8 4.22 237 229 A 2 TRP H A 1 LYS HGy 1.0 1.8 4.22 238 230 A 2 TRP HZ2 A 4 PHE HBy 1.0 1.8 4.50 239 230 A 2 TRP HZ2 A 4 PHE HBx 1.0 1.8 4.50 240 231 A 4 PHE H A 4 PHE HBy 1.0 1.8 3.29 241 231 A 4 PHE H A 4 PHE HBx 1.0 1.8 3.29 242 232 A 4 PHE HA A 5 ARG HBx 1.0 1.8 4.58 243 232 A 4 PHE HA A 5 ARG HBy 1.0 1.8 4.58 244 233 A 4 PHE HE% A 17 ARG HBx 1.0 1.8 4.03 245 233 A 4 PHE HE% A 17 ARG HBy 1.0 1.8 4.03 246 234 A 5 ARG H A 5 ARG HGx 1.0 1.8 4.18 247 234 A 5 ARG H A 5 ARG HGy 1.0 1.8 4.18 248 235 A 5 ARG HA A 5 ARG HDy 1.0 1.8 4.83 249 235 A 5 ARG HA A 5 ARG HDx 1.0 1.8 4.83 250 236 A 5 ARG HBx A 5 ARG HDy 1.0 1.8 3.30 251 236 A 5 ARG HBy A 5 ARG HDy 1.0 1.8 3.30 252 236 A 5 ARG HDx A 5 ARG HBx 1.0 1.8 3.30 253 236 A 5 ARG HBy A 5 ARG HDx 1.0 1.8 3.30 254 237 A 12 CYS HBx A 5 ARG HBx 1.0 1.8 5.34 255 237 A 12 CYS HBx A 5 ARG HBy 1.0 1.8 5.34 256 238 A 5 ARG HE A 5 ARG HGx 1.0 1.8 3.67 257 238 A 5 ARG HE A 5 ARG HGy 1.0 1.8 3.67 258 239 A 6 VAL H A 5 ARG HGx 1.0 1.8 3.59 259 239 A 6 VAL H A 5 ARG HGy 1.0 1.8 3.59 260 240 A 6 VAL H A 6 VAL HGy% 1.0 1.8 3.36 261 240 A 6 VAL H A 6 VAL HGx% 1.0 1.8 3.36 262 241 A 6 VAL HA A 6 VAL HGy% 1.0 1.8 3.09 263 241 A 6 VAL HA A 6 VAL HGx% 1.0 1.8 3.09 264 242 A 7 CYS H A 6 VAL HGy% 1.0 1.8 3.44 265 242 A 7 CYS H A 6 VAL HGx% 1.0 1.8 3.44 266 243 A 8 TYR H A 6 VAL HGy% 1.0 1.8 5.09 267 243 A 8 TYR H A 6 VAL HGx% 1.0 1.8 5.09 268 244 A 13 TYR H A 6 VAL HGy% 1.0 1.8 4.74 269 244 A 13 TYR H A 6 VAL HGx% 1.0 1.8 4.74 270 245 A 13 TYR HD% A 6 VAL HGy% 1.0 1.8 3.48 271 245 A 13 TYR HD% A 6 VAL HGx% 1.0 1.8 3.48 272 246 A 8 TYR HA A 9 ARG HBx 1.0 1.8 5.15 273 246 A 8 TYR HA A 9 ARG HBy 1.0 1.8 5.15 274 247 A 8 TYR HD% A 9 ARG HBx 1.0 1.8 4.00 275 247 A 8 TYR HD% A 9 ARG HBy 1.0 1.8 4.00 276 248 A 8 TYR HD% A 9 ARG HGx 1.0 1.8 4.94 277 248 A 8 TYR HD% A 9 ARG HGy 1.0 1.8 4.94 278 249 A 9 ARG H A 9 ARG HGx 1.0 1.8 3.27 279 249 A 9 ARG H A 9 ARG HGy 1.0 1.8 3.27 280 250 A 9 ARG HA A 9 ARG HGx 1.0 1.8 3.18 281 250 A 9 ARG HA A 9 ARG HGy 1.0 1.8 3.18 282 251 A 9 ARG HBx A 9 ARG HDy 1.0 1.8 3.29 283 251 A 9 ARG HBy A 9 ARG HDy 1.0 1.8 3.29 284 251 A 9 ARG HDx A 9 ARG HBx 1.0 1.8 3.29 285 251 A 9 ARG HBy A 9 ARG HDx 1.0 1.8 3.29 286 252 A 9 ARG HE A 9 ARG HBx 1.0 1.8 4.52 287 252 A 9 ARG HE A 9 ARG HBy 1.0 1.8 4.52 288 253 A 10 GLY H A 9 ARG HBx 1.0 1.8 4.16 289 253 A 10 GLY H A 9 ARG HBy 1.0 1.8 4.16 290 254 A 11 ILE H A 9 ARG HBx 1.0 1.8 4.56 291 254 A 11 ILE H A 9 ARG HBy 1.0 1.8 4.56 292 255 A 9 ARG HE A 9 ARG HGx 1.0 1.8 3.46 293 255 A 9 ARG HE A 9 ARG HGy 1.0 1.8 3.46 294 256 A 10 GLY H A 10 GLY HAy 1.0 1.8 2.57 295 256 A 10 GLY H A 10 GLY HAx 1.0 1.8 2.57 296 257 A 11 ILE HA A 11 ILE HG1x 1.0 1.8 3.43 297 257 A 11 ILE HA A 11 ILE HG1y 1.0 1.8 3.43 298 258 A 11 ILE HG2% A 11 ILE HG1x 1.0 1.8 2.85 299 258 A 11 ILE HG2% A 11 ILE HG1y 1.0 1.8 2.85 300 259 A 12 CYS H A 11 ILE HG1x 1.0 1.8 4.38 301 259 A 12 CYS H A 11 ILE HG1y 1.0 1.8 4.38 302 260 A 13 TYR HD% A 15 ARG HDx 1.0 1.8 4.41 303 260 A 13 TYR HD% A 15 ARG HDy 1.0 1.8 4.41 304 261 A 13 TYR HE% A 15 ARG HDx 1.0 1.8 4.43 305 261 A 13 TYR HE% A 15 ARG HDy 1.0 1.8 4.43 306 262 A 14 ARG H A 14 ARG HBy 1.0 1.8 2.75 307 262 A 14 ARG H A 14 ARG HBx 1.0 1.8 2.75 308 263 A 14 ARG H A 14 ARG HGx 1.0 1.8 4.16 309 263 A 14 ARG H A 14 ARG HGy 1.0 1.8 4.16 310 264 A 14 ARG HBy A 14 ARG HDx 1.0 1.8 3.33 311 264 A 14 ARG HBx A 14 ARG HDx 1.0 1.8 3.33 312 264 A 14 ARG HDy A 14 ARG HBy 1.0 1.8 3.33 313 264 A 14 ARG HBx A 14 ARG HDy 1.0 1.8 3.33 314 265 A 14 ARG HE A 14 ARG HBy 1.0 1.8 5.32 315 265 A 14 ARG HE A 14 ARG HBx 1.0 1.8 5.32 316 266 A 15 ARG H A 14 ARG HDx 1.0 1.8 4.77 317 266 A 15 ARG H A 14 ARG HDy 1.0 1.8 4.77 318 267 A 15 ARG HBx A 15 ARG HDx 1.0 1.8 3.64 319 267 A 15 ARG HBx A 15 ARG HDy 1.0 1.8 3.64 320 268 A 17 ARG H A 17 ARG HGx 1.0 1.8 4.39 321 268 A 17 ARG H A 17 ARG HGy 1.0 1.8 4.39 322 269 A 17 ARG HA A 17 ARG HDy 1.0 1.8 4.74 323 269 A 17 ARG HA A 17 ARG HDx 1.0 1.8 4.74 324 270 A 17 ARG HBx A 17 ARG HGx 1.0 1.8 2.34 325 270 A 17 ARG HBy A 17 ARG HGx 1.0 1.8 2.34 326 270 A 17 ARG HGy A 17 ARG HBx 1.0 1.8 2.34 327 270 A 17 ARG HBy A 17 ARG HGy 1.0 1.8 2.34 328 271 A 18 GLY H A 17 ARG HBx 1.0 1.8 4.47 329 271 A 18 GLY H A 17 ARG HBy 1.0 1.8 4.47 330 272 A 18 GLY H A 17 ARG HGx 1.0 1.8 4.52 331 272 A 18 GLY H A 17 ARG HGy 1.0 1.8 4.52 332 273 A 18 GLY HAx A 17 ARG HGx 1.0 1.8 5.04 333 273 A 18 GLY HAx A 17 ARG HGy 1.0 1.8 5.04 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 -120.0 -40.0 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 1.0 120.0 160.0 PSI 5 5 A 3 CYS C A 4 PHE N A 4 PHE CA A 4 PHE C 1.0 -140.0 -80.0 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 -60.0 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 -140.0 -80.0 PHI 10 10 A 6 VAL N A 6 VAL CA A 6 VAL C A 7 CYS N 1.0 110.0 150.0 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 -160.0 -100.0 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 50.0 110.0 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 -60.0 PHI 20 20 A 11 ILE N A 11 ILE CA A 11 ILE C A 12 CYS N 1.0 110.0 170.0 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 -130.0 -60.0 PHI 26 26 A 14 ARG N A 14 ARG CA A 14 ARG C A 15 ARG N 1.0 90.0 150.0 PSI 27 27 A 14 ARG C A 15 ARG N A 15 ARG CA A 15 ARG C 1.0 -140.0 -80.0 PHI 28 28 A 15 ARG N A 15 ARG CA A 15 ARG C A 16 CYS N 1.0 100.0 160.0 PSI 29 29 A 15 ARG 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 1.0 110.0 170.0 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 9 ARG N A 9 ARG CA A 9 ARG CB A 9 ARG CG 1.0 -90.0 -30.0 CHI1 34 34 A 12 CYS N A 12 CYS CA A 12 CYS CB A 12 CYS SG 1.0 -90.0 -30.0 CHI1 stop_ save_