data_nef_c30620_6pio 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 6PIO 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 ARG 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 ARG 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 LYS 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 ARG HA H 1 4.229 0.001 A 1 ARG HBy H 1 1.759 0.007 A 1 ARG HBx H 1 1.565 0.005 A 1 ARG HDx H 1 3.061 0.004 A 1 ARG HDy H 1 3.061 0.004 A 1 ARG HGy H 1 1.395 0.001 A 1 ARG HGx H 1 1.262 0.010 A 1 ARG CA C 13 56.338 0.000 A 1 ARG CB C 13 29.891 0.002 A 1 ARG CD C 13 43.459 0.000 A 2 TRP H H 1 7.860 0.003 A 2 TRP HA H 1 4.945 0.004 A 2 TRP HBy H 1 3.521 0.006 A 2 TRP HBx H 1 3.298 0.003 A 2 TRP HD1 H 1 7.348 0.001 A 2 TRP HE1 H 1 10.125 0.001 A 2 TRP HZ2 H 1 7.427 0.000 A 2 TRP CA C 13 56.442 0.000 A 2 TRP CB C 13 29.959 0.000 A 2 TRP N N 15 122.427 0.000 A 3 CYS H H 1 8.373 0.004 A 3 CYS HA H 1 5.448 0.003 A 3 CYS HBy H 1 2.945 0.001 A 3 CYS HBx H 1 2.490 0.004 A 3 CYS CA C 13 55.362 0.000 A 3 CYS CB C 13 48.126 0.050 A 3 CYS N N 15 123.391 0.000 A 4 PHE H H 1 8.776 0.002 A 4 PHE HA H 1 4.806 0.000 A 4 PHE HBx H 1 2.964 0.002 A 4 PHE HBy H 1 2.964 0.002 A 4 PHE HDx H 1 6.736 0.002 A 4 PHE HDy H 1 6.736 0.002 A 4 PHE HEx H 1 7.075 0.001 A 4 PHE HEy H 1 7.075 0.001 A 4 PHE CB C 13 40.774 0.000 A 4 PHE N N 15 120.041 0.000 A 5 ARG H H 1 8.583 0.001 A 5 ARG HA H 1 4.933 0.004 A 5 ARG HBy H 1 1.725 0.004 A 5 ARG HBx H 1 1.645 0.005 A 5 ARG HDx H 1 3.111 0.003 A 5 ARG HDy H 1 3.111 0.003 A 5 ARG HGy H 1 1.501 0.002 A 5 ARG HGx H 1 1.423 0.000 A 5 ARG CA C 13 55.267 0.000 A 5 ARG CB C 13 32.163 0.013 A 5 ARG CD C 13 43.680 0.000 A 5 ARG CG C 13 27.956 0.000 A 6 VAL H H 1 8.864 0.002 A 6 VAL HA H 1 4.345 0.002 A 6 VAL HB H 1 1.605 0.002 A 6 VAL HGx% H 1 0.878 0.012 A 6 VAL HGy% H 1 0.854 0.008 A 6 VAL CB C 13 34.453 0.000 A 6 VAL CGy C 13 21.105 0.000 A 6 VAL CGx C 13 21.076 0.000 A 6 VAL N N 15 126.261 0.000 A 7 CYS H H 1 8.607 0.004 A 7 CYS HA H 1 5.622 0.002 A 7 CYS HBy H 1 3.028 0.000 A 7 CYS HBx H 1 2.666 0.003 A 7 CYS CA C 13 55.203 0.000 A 7 CYS CB C 13 48.678 0.004 A 7 CYS N N 15 122.860 0.000 A 8 TYR H H 1 9.096 0.000 A 8 TYR HA H 1 4.736 0.009 A 8 TYR HBx H 1 3.049 0.006 A 8 TYR HBy H 1 3.049 0.006 A 8 TYR HDx H 1 7.238 0.006 A 8 TYR HDy H 1 7.238 0.006 A 8 TYR HEx H 1 6.846 0.002 A 8 TYR HEy H 1 6.846 0.002 A 8 TYR CA C 13 57.560 0.000 A 8 TYR CB C 13 40.719 0.000 A 8 TYR N N 15 123.594 0.000 A 9 ARG H H 1 9.234 0.000 A 9 ARG HA H 1 3.710 0.002 A 9 ARG HBy H 1 1.919 0.003 A 9 ARG HBx H 1 1.615 0.003 A 9 ARG HDx H 1 3.068 0.001 A 9 ARG HDy H 1 3.068 0.001 A 9 ARG HGy H 1 1.235 0.000 A 9 ARG HGx H 1 0.935 0.007 A 9 ARG CA C 13 57.140 0.000 A 9 ARG CB C 13 27.958 0.005 A 9 ARG CG C 13 27.346 0.000 A 10 GLY H H 1 8.556 0.003 A 10 GLY HAy H 1 4.163 0.001 A 10 GLY HAx H 1 3.569 0.003 A 10 GLY CA C 13 45.197 0.000 A 10 GLY N N 15 103.921 0.000 A 11 ILE H H 1 7.820 0.006 A 11 ILE HA H 1 4.341 0.002 A 11 ILE HB H 1 2.049 0.004 A 11 ILE HD1% H 1 0.896 0.001 A 11 ILE HG1y H 1 1.528 0.003 A 11 ILE HG1x H 1 1.196 0.001 A 11 ILE HG2% H 1 0.840 0.002 A 11 ILE CB C 13 38.862 0.000 A 11 ILE CD1 C 13 12.135 0.000 A 11 ILE CG1 C 13 27.084 0.004 A 11 ILE CG2 C 13 17.400 0.000 A 11 ILE N N 15 122.616 0.000 A 12 CYS H H 1 8.623 0.004 A 12 CYS HA H 1 5.787 0.003 A 12 CYS HBy H 1 2.975 0.003 A 12 CYS HBx H 1 2.561 0.005 A 12 CYS CA C 13 55.134 0.000 A 12 CYS CB C 13 47.751 0.021 A 12 CYS N N 15 124.235 0.000 A 13 TYR H H 1 9.178 0.001 A 13 TYR HA H 1 4.804 0.002 A 13 TYR HBy H 1 3.065 0.007 A 13 TYR HBx H 1 2.917 0.003 A 13 TYR HDx H 1 7.021 0.006 A 13 TYR HDy H 1 7.021 0.006 A 13 TYR HEx H 1 6.731 0.002 A 13 TYR HEy H 1 6.731 0.002 A 13 TYR CB C 13 40.763 0.000 A 13 TYR N N 15 120.892 0.000 A 14 ARG H H 1 8.603 0.003 A 14 ARG HA H 1 4.801 0.002 A 14 ARG HBy H 1 1.708 0.000 A 14 ARG HBx H 1 1.602 0.005 A 14 ARG HDx H 1 3.090 0.000 A 14 ARG HDy H 1 3.090 0.000 A 14 ARG HGy H 1 1.430 0.001 A 14 ARG HGx H 1 1.340 0.005 A 14 ARG CB C 13 31.715 0.012 A 14 ARG CG C 13 27.979 0.003 A 15 LYS H H 1 8.738 0.001 A 15 LYS HA H 1 4.516 0.002 A 15 LYS HBx H 1 1.718 0.001 A 15 LYS HBy H 1 1.718 0.001 A 15 LYS HDy H 1 1.397 0.003 A 15 LYS HDx H 1 1.273 0.004 A 15 LYS HEx H 1 2.955 0.003 A 15 LYS HEy H 1 2.955 0.003 A 15 LYS HGy H 1 1.279 0.006 A 15 LYS HGx H 1 1.216 0.003 A 15 LYS CA C 13 54.655 0.000 A 15 LYS CB C 13 29.253 0.000 A 15 LYS CD C 13 26.610 0.009 A 15 LYS CE C 13 42.015 0.000 A 15 LYS CG C 13 24.983 0.011 A 15 LYS N N 15 128.354 0.000 A 16 CYS H H 1 8.577 0.004 A 16 CYS HA H 1 5.416 0.002 A 16 CYS HBx H 1 2.921 0.003 A 16 CYS HBy H 1 2.921 0.003 A 16 CYS CA C 13 55.640 0.000 A 16 CYS CB C 13 48.233 0.000 A 16 CYS N N 15 121.340 0.000 A 17 ARG H H 1 9.202 0.001 A 17 ARG HA H 1 4.582 0.004 A 17 ARG HBy H 1 2.104 0.004 A 17 ARG HBx H 1 1.959 0.004 A 17 ARG HDx H 1 3.339 0.002 A 17 ARG HDy H 1 3.339 0.002 A 17 ARG HGy H 1 1.791 0.004 A 17 ARG HGx H 1 1.710 0.003 A 17 ARG CA C 13 55.282 0.000 A 17 ARG CB C 13 31.303 0.000 A 17 ARG CD C 13 43.626 0.000 A 17 ARG CG C 13 27.305 0.000 A 17 ARG N N 15 125.462 0.000 A 18 GLY HAy H 1 4.099 0.002 A 18 GLY HAx H 1 3.672 0.007 A 18 GLY CA C 13 46.688 0.003 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 3.87 2 2 A 11 ILE H A 12 CYS H 1.0 1.8 4.61 3 3 A 12 CYS HA A 13 TYR H 1.0 1.8 2.57 4 4 A 13 TYR H A 6 VAL H 1.0 1.8 3.28 5 5 A 7 CYS HA A 8 TYR H 1.0 1.8 2.60 6 6 A 6 VAL H A 5 ARG HA 1.0 1.8 2.51 7 7 A 2 TRP HE1 A 4 PHE HBy 1.0 1.8 4.44 8 8 A 2 TRP HA A 3 CYS H 1.0 1.8 3.08 9 9 A 16 CYS HA A 17 ARG H 1.0 1.8 2.82 10 10 A 3 CYS HA A 4 PHE H 1.0 1.8 2.56 11 11 A 17 ARG H A 17 ARG HBy 1.0 1.8 4.01 12 12 A 17 ARG H A 17 ARG HBx 1.0 1.8 4.01 13 13 A 17 ARG H A 2 TRP HBy 1.0 1.8 4.99 14 14 A 17 ARG H A 2 TRP HBx 1.0 1.8 4.99 15 15 A 17 ARG H A 2 TRP H 1.0 1.8 4.08 16 16 A 13 TYR H A 13 TYR HBx 1.0 1.8 4.06 17 17 A 4 PHE HBx A 5 ARG H 1.0 1.8 3.13 18 18 A 13 TYR H A 7 CYS H 1.0 1.8 5.39 19 19 A 13 TYR H A 14 ARG H 1.0 1.8 5.50 20 20 A 5 ARG H A 5 ARG HBy 1.0 1.8 3.43 21 21 A 5 ARG H A 5 ARG HBx 1.0 1.8 3.43 22 22 A 15 LYS HA A 15 LYS HDx 1.0 1.8 4.19 23 23 A 15 LYS HA A 15 LYS HDy 1.0 1.8 4.19 24 24 A 15 LYS H A 14 ARG HDx 1.0 1.8 5.50 25 25 A 15 LYS H A 14 ARG HDy 1.0 1.8 5.50 26 26 A 15 LYS H A 13 TYR HD% 1.0 1.8 4.42 27 27 A 12 CYS H A 12 CYS HBx 1.0 1.8 4.11 28 28 A 13 TYR H A 11 ILE HG2% 1.0 1.8 4.72 29 29 A 13 TYR H A 6 VAL HB 1.0 1.8 4.57 30 30 A 13 TYR H A 5 ARG HGy 1.0 1.8 4.74 31 31 A 13 TYR H A 5 ARG HGx 1.0 1.8 4.74 32 32 A 13 TYR H A 12 CYS HBx 1.0 1.8 3.42 33 33 A 13 TYR H A 13 TYR HBy 1.0 1.8 4.06 34 34 A 13 TYR H A 5 ARG HA 1.0 1.8 4.61 35 35 A 13 TYR H A 7 CYS HA 1.0 1.8 3.68 36 36 A 13 TYR H A 13 TYR HD% 1.0 1.8 3.52 37 37 A 11 ILE HB A 13 TYR HE% 1.0 1.8 4.79 38 38 A 4 PHE HE% A 15 LYS HBx 1.0 1.8 4.87 39 39 A 4 PHE HE% A 15 LYS HBy 1.0 1.8 4.87 40 40 A 6 VAL HB A 13 TYR HE% 1.0 1.8 3.93 41 41 A 13 TYR HE% A 15 LYS HDy 1.0 1.8 4.95 42 42 A 13 TYR HD% A 11 ILE HG2% 1.0 1.8 3.19 43 43 A 12 CYS HA A 11 ILE HG2% 1.0 1.8 4.60 44 44 A 12 CYS H A 11 ILE HG2% 1.0 1.8 3.70 45 45 A 12 CYS H A 12 CYS HBy 1.0 1.8 3.33 46 46 A 12 CYS H A 11 ILE HA 1.0 1.8 2.68 47 47 A 11 ILE HB A 11 ILE HD1% 1.0 1.8 3.68 48 48 A 11 ILE HA A 11 ILE HG1x 1.0 1.8 4.04 49 49 A 11 ILE HA A 11 ILE HD1% 1.0 1.8 3.42 50 50 A 11 ILE HG2% A 11 ILE HA 1.0 1.8 3.10 51 51 A 11 ILE H A 11 ILE HG1y 1.0 1.8 3.73 52 52 A 11 ILE H A 11 ILE HG1x 1.0 1.8 4.28 53 53 A 11 ILE H A 11 ILE HG2% 1.0 1.8 4.14 54 54 A 11 ILE H A 11 ILE HB 1.0 1.8 3.15 55 55 A 11 ILE H A 7 CYS HBx 1.0 1.8 4.55 56 56 A 11 ILE H A 7 CYS HA 1.0 1.8 4.54 57 57 A 11 ILE H A 8 TYR H 1.0 1.8 3.42 58 58 A 8 TYR H A 11 ILE HG2% 1.0 1.8 4.52 59 59 A 8 TYR H A 11 ILE HB 1.0 1.8 4.45 60 60 A 8 TYR H A 7 CYS HBx 1.0 1.8 3.66 61 61 A 8 TYR H A 8 TYR HBy 1.0 1.8 3.34 62 62 A 12 CYS HA A 8 TYR H 1.0 1.8 3.86 63 63 A 8 TYR H A 8 TYR HD% 1.0 1.8 4.45 64 64 A 8 TYR H A 13 TYR HD% 1.0 1.8 4.53 65 65 A 8 TYR H A 13 TYR HE% 1.0 1.8 4.50 66 66 A 11 ILE H A 8 TYR HBx 1.0 1.8 5.50 67 67 A 11 ILE H A 8 TYR HBy 1.0 1.8 5.50 68 68 A 7 CYS HA A 8 TYR HBy 1.0 1.8 4.45 69 69 A 14 ARG H A 13 TYR HD% 1.0 1.8 4.21 70 70 A 6 VAL H A 6 VAL HB 1.0 1.8 3.60 71 71 A 6 VAL H A 5 ARG HGy 1.0 1.8 4.17 72 72 A 6 VAL H A 5 ARG HGx 1.0 1.8 4.17 73 73 A 6 VAL H A 12 CYS HBx 1.0 1.8 5.42 74 74 A 12 CYS HA A 6 VAL H 1.0 1.8 4.86 75 75 A 6 VAL H A 13 TYR HD% 1.0 1.8 4.46 76 76 A 6 VAL H A 4 PHE HD% 1.0 1.8 5.07 77 77 A 6 VAL H A 13 TYR HE% 1.0 1.8 5.50 78 78 A 5 ARG HA A 5 ARG HGy 1.0 1.8 4.04 79 79 A 5 ARG HA A 5 ARG HGx 1.0 1.8 4.04 80 80 A 4 PHE H A 4 PHE HD% 1.0 1.8 3.71 81 81 A 5 ARG H A 4 PHE HD% 1.0 1.8 4.39 82 82 A 4 PHE HBy A 4 PHE H 1.0 1.8 3.57 83 83 A 4 PHE H A 3 CYS HBx 1.0 1.8 3.57 84 84 A 3 CYS H A 3 CYS HBy 1.0 1.8 3.68 85 85 A 2 TRP H A 1 ARG HGx 1.0 1.8 5.22 86 86 A 2 TRP H A 1 ARG HGy 1.0 1.8 5.22 87 87 A 2 TRP H A 1 ARG HBy 1.0 1.8 4.68 88 88 A 2 TRP H A 1 ARG HBx 1.0 1.8 4.68 89 89 A 2 TRP H A 16 CYS HBy 1.0 1.8 5.19 90 90 A 2 TRP H A 2 TRP HBy 1.0 1.8 3.23 91 91 A 2 TRP H A 2 TRP HBx 1.0 1.8 3.23 92 92 A 16 CYS HA A 2 TRP H 1.0 1.8 5.08 93 93 A 2 TRP H A 2 TRP HD1 1.0 1.8 4.98 94 94 A 2 TRP HA A 2 TRP HD1 1.0 1.8 3.80 95 95 A 2 TRP HD1 A 2 TRP HBx 1.0 1.8 3.86 96 96 A 12 CYS HBx A 5 ARG HGy 1.0 1.8 4.50 97 97 A 12 CYS HBx A 5 ARG HGx 1.0 1.8 4.50 98 98 A 3 CYS HBx A 14 ARG HGy 1.0 1.8 4.18 99 99 A 3 CYS HBx A 14 ARG HGx 1.0 1.8 4.18 100 100 A 3 CYS H A 2 TRP HD1 1.0 1.8 4.87 101 101 A 12 CYS HA A 8 TYR HD% 1.0 1.8 4.91 102 102 A 7 CYS HA A 8 TYR HD% 1.0 1.8 4.88 103 103 A 12 CYS HA A 13 TYR HD% 1.0 1.8 3.93 104 104 A 7 CYS HA A 13 TYR HD% 1.0 1.8 4.34 105 105 A 3 CYS HA A 4 PHE HD% 1.0 1.8 4.22 106 106 A 15 LYS HA A 13 TYR HD% 1.0 1.8 4.47 107 107 A 15 LYS HA A 13 TYR HE% 1.0 1.8 5.50 108 108 A 13 TYR HD% A 11 ILE HA 1.0 1.8 5.25 109 109 A 4 PHE HD% A 6 VAL HA 1.0 1.8 4.78 110 110 A 13 TYR H A 6 VAL HA 1.0 1.8 4.94 111 111 A 8 TYR H A 11 ILE HA 1.0 1.8 4.93 112 112 A 12 CYS H A 11 ILE HB 1.0 1.8 4.92 113 113 A 14 ARG HA A 14 ARG HGy 1.0 1.8 4.25 114 114 A 14 ARG HA A 14 ARG HGx 1.0 1.8 4.25 115 115 A 13 TYR HD% A 6 VAL HB 1.0 1.8 4.21 116 116 A 13 TYR HD% A 15 LYS HDy 1.0 1.8 4.64 117 117 A 13 TYR HD% A 15 LYS HDx 1.0 1.8 4.64 118 118 A 13 TYR HE% A 15 LYS HDx 1.0 1.8 4.95 119 119 A 13 TYR HE% A 8 TYR HBy 1.0 1.8 4.09 120 120 A 13 TYR HD% A 13 TYR HA 1.0 1.8 3.93 121 121 A 4 PHE HD% A 4 PHE HA 1.0 1.8 4.25 122 122 A 8 TYR HD% A 8 TYR HA 1.0 1.8 3.72 123 123 A 4 PHE HBy A 2 TRP HZ2 1.0 1.8 5.38 124 124 A 4 PHE HBy A 2 TRP HD1 1.0 1.8 4.70 125 125 A 5 ARG HA A 5 ARG HDx 1.0 1.8 5.50 126 126 A 5 ARG HA A 5 ARG HDy 1.0 1.8 5.50 127 127 A 2 TRP HD1 A 2 TRP HBy 1.0 1.8 3.86 128 128 A 4 PHE HD% A 2 TRP HD1 1.0 1.8 4.38 129 129 A 7 CYS HA A 12 CYS HBx 1.0 1.8 4.86 130 130 A 5 ARG HA A 4 PHE HBx 1.0 1.8 5.15 131 131 A 12 CYS HBy A 11 ILE HD1% 1.0 1.8 5.50 132 132 A 1 ARG HA A 1 ARG HGx 1.0 1.8 3.62 133 132 A 1 ARG HA A 1 ARG HGy 1.0 1.8 3.62 134 133 A 2 TRP H A 1 ARG HBx 1.0 1.8 4.09 135 133 A 2 TRP H A 1 ARG HBy 1.0 1.8 4.09 136 134 A 2 TRP H A 1 ARG HGx 1.0 1.8 4.57 137 134 A 2 TRP H A 1 ARG HGy 1.0 1.8 4.57 138 135 A 2 TRP H A 18 GLY HAy 1.0 1.8 4.07 139 135 A 2 TRP H A 18 GLY HAx 1.0 1.8 4.07 140 136 A 2 TRP HD1 A 2 TRP HBx 1.0 1.8 3.26 141 136 A 2 TRP HD1 A 2 TRP HBy 1.0 1.8 3.26 142 137 A 17 ARG H A 2 TRP HBx 1.0 1.8 4.25 143 137 A 17 ARG H A 2 TRP HBy 1.0 1.8 4.25 144 138 A 2 TRP HBy A 17 ARG HBy 1.0 1.8 4.49 145 138 A 2 TRP HBx A 17 ARG HBy 1.0 1.8 4.49 146 138 A 17 ARG HBx A 2 TRP HBx 1.0 1.8 4.49 147 138 A 2 TRP HBy A 17 ARG HBx 1.0 1.8 4.49 148 139 A 4 PHE H A 6 VAL HGx% 1.0 1.8 5.44 149 139 A 4 PHE H A 6 VAL HGy% 1.0 1.8 5.44 150 140 A 4 PHE HBx A 6 VAL HGx% 1.0 1.8 4.33 151 140 A 4 PHE HBx A 6 VAL HGy% 1.0 1.8 4.33 152 141 A 4 PHE HD% A 6 VAL HGx% 1.0 1.8 3.20 153 141 A 4 PHE HD% A 6 VAL HGy% 1.0 1.8 3.20 154 142 A 4 PHE HE% A 6 VAL HGx% 1.0 1.8 4.07 155 142 A 4 PHE HE% A 6 VAL HGy% 1.0 1.8 4.07 156 143 A 4 PHE HE% A 15 LYS HBx 1.0 1.8 4.18 157 143 A 4 PHE HE% A 15 LYS HBy 1.0 1.8 4.18 158 144 A 4 PHE HE% A 15 LYS HGy 1.0 1.8 4.51 159 144 A 4 PHE HE% A 15 LYS HGx 1.0 1.8 4.51 160 145 A 4 PHE HE% A 15 LYS HDy 1.0 1.8 5.34 161 145 A 4 PHE HE% A 15 LYS HDx 1.0 1.8 5.34 162 146 A 5 ARG HA A 5 ARG HDy 1.0 1.8 4.73 163 146 A 5 ARG HA A 5 ARG HDx 1.0 1.8 4.73 164 147 A 6 VAL H A 5 ARG HBy 1.0 1.8 4.31 165 147 A 6 VAL H A 5 ARG HBx 1.0 1.8 4.31 166 148 A 12 CYS HBx A 5 ARG HBy 1.0 1.8 5.34 167 148 A 12 CYS HBx A 5 ARG HBx 1.0 1.8 5.34 168 149 A 6 VAL H A 5 ARG HGx 1.0 1.8 3.66 169 149 A 6 VAL H A 5 ARG HGy 1.0 1.8 3.66 170 150 A 12 CYS HBx A 5 ARG HGx 1.0 1.8 3.77 171 150 A 12 CYS HBx A 5 ARG HGy 1.0 1.8 3.77 172 151 A 6 VAL H A 6 VAL HGx% 1.0 1.8 3.59 173 151 A 6 VAL H A 6 VAL HGy% 1.0 1.8 3.59 174 152 A 6 VAL H A 13 TYR HBx 1.0 1.8 5.34 175 152 A 6 VAL H A 13 TYR HBy 1.0 1.8 5.34 176 153 A 8 TYR H A 6 VAL HGx% 1.0 1.8 5.44 177 153 A 8 TYR H A 6 VAL HGy% 1.0 1.8 5.44 178 154 A 8 TYR HE% A 6 VAL HGx% 1.0 1.8 5.27 179 154 A 6 VAL HGy% A 8 TYR HE% 1.0 1.8 5.27 180 155 A 8 TYR HD% A 9 ARG HBy 1.0 1.8 4.17 181 155 A 8 TYR HD% A 9 ARG HBx 1.0 1.8 4.17 182 156 A 8 TYR HE% A 9 ARG HBy 1.0 1.8 4.46 183 156 A 8 TYR HE% A 9 ARG HBx 1.0 1.8 4.46 184 157 A 9 ARG HA A 9 ARG HGy 1.0 1.8 3.67 185 157 A 9 ARG HA A 9 ARG HGx 1.0 1.8 3.67 186 158 A 11 ILE HG2% A 13 TYR HBx 1.0 1.8 4.79 187 158 A 11 ILE HG2% A 13 TYR HBy 1.0 1.8 4.79 188 159 A 13 TYR H A 13 TYR HBx 1.0 1.8 3.35 189 159 A 13 TYR H A 13 TYR HBy 1.0 1.8 3.35 190 160 A 13 TYR HD% A 15 LYS HBx 1.0 1.8 4.47 191 160 A 13 TYR HD% A 15 LYS HBy 1.0 1.8 4.47 192 161 A 13 TYR HD% A 15 LYS HGy 1.0 1.8 4.27 193 161 A 13 TYR HD% A 15 LYS HGx 1.0 1.8 4.27 194 162 A 13 TYR HE% A 15 LYS HBx 1.0 1.8 4.18 195 162 A 13 TYR HE% A 15 LYS HBy 1.0 1.8 4.18 196 163 A 13 TYR HE% A 15 LYS HGy 1.0 1.8 4.45 197 163 A 13 TYR HE% A 15 LYS HGx 1.0 1.8 4.45 198 164 A 13 TYR HE% A 15 LYS HDy 1.0 1.8 4.09 199 164 A 13 TYR HE% A 15 LYS HDx 1.0 1.8 4.09 200 165 A 14 ARG H A 14 ARG HBy 1.0 1.8 3.28 201 165 A 14 ARG H A 14 ARG HBx 1.0 1.8 3.28 202 166 A 14 ARG H A 14 ARG HGx 1.0 1.8 4.46 203 166 A 14 ARG H A 14 ARG HGy 1.0 1.8 4.46 204 167 A 14 ARG HA A 14 ARG HGx 1.0 1.8 3.56 205 167 A 14 ARG HA A 14 ARG HGy 1.0 1.8 3.56 206 168 A 14 ARG HBx A 14 ARG HDy 1.0 1.8 3.24 207 168 A 14 ARG HBy A 14 ARG HDy 1.0 1.8 3.24 208 168 A 14 ARG HDx A 14 ARG HBy 1.0 1.8 3.24 209 168 A 14 ARG HBx A 14 ARG HDx 1.0 1.8 3.24 210 169 A 15 LYS H A 14 ARG HBy 1.0 1.8 4.28 211 169 A 15 LYS H A 14 ARG HBx 1.0 1.8 4.28 212 170 A 15 LYS HA A 15 LYS HGy 1.0 1.8 3.68 213 170 A 15 LYS HA A 15 LYS HGx 1.0 1.8 3.68 214 171 A 15 LYS HA A 15 LYS HDy 1.0 1.8 3.51 215 171 A 15 LYS HA A 15 LYS HDx 1.0 1.8 3.51 216 172 A 17 ARG HBx A 17 ARG HGy 1.0 1.8 2.34 217 172 A 17 ARG HBy A 17 ARG HGy 1.0 1.8 2.34 218 172 A 17 ARG HGx A 17 ARG HBy 1.0 1.8 2.34 219 172 A 17 ARG HBx A 17 ARG HGx 1.0 1.8 2.34 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 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 1.0 100.0 160.0 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 1.0 120.0 180.0 PSI 5 5 A 3 CYS C A 4 PHE N A 4 PHE CA A 4 PHE C 1.0 -140.0 -60.0 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 -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 -40.0 20.0 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 -150.0 -90.0 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 -160.0 -80.0 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 -70.0 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 -110.0 -50.0 PHI 28 28 A 15 LYS N A 15 LYS CA A 15 LYS C A 16 CYS N 1.0 50.0 150.0 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 1.0 120.0 180.0 PSI 31 31 A 16 CYS C A 17 ARG N A 17 ARG CA A 17 ARG C 1.0 -130.0 -50.0 PHI 32 32 A 17 ARG N A 17 ARG CA A 17 ARG C A 18 GLY N 1.0 90.0 170.0 PSI 33 33 A 3 CYS N A 3 CYS CA A 3 CYS CB A 3 CYS SG 1.0 -90.0 -30.0 CHI1 34 34 A 7 CYS N A 7 CYS CA A 7 CYS CB A 7 CYS SG 1.0 -90.0 -30.0 CHI1 35 35 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_