data_nef_c30621_6pip 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 6PIP 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 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 LYS H1 H 1 8.582 0.002 A 1 LYS HA H 1 4.060 0.001 A 1 LYS HBy H 1 1.634 0.004 A 1 LYS HBx H 1 1.415 0.002 A 1 LYS HDx H 1 1.416 0.002 A 1 LYS HDy H 1 1.416 0.002 A 1 LYS HEx H 1 2.726 0.002 A 1 LYS HEy H 1 2.726 0.002 A 1 LYS HGy H 1 1.098 0.002 A 1 LYS HGx H 1 1.000 0.004 A 1 LYS HZ1 H 1 7.345 0.001 A 1 LYS HZ2 H 1 7.345 0.001 A 1 LYS HZ3 H 1 7.345 0.001 A 1 LYS CA C 13 56.507 0.000 A 1 LYS CB C 13 32.182 0.011 A 1 LYS CD C 13 28.926 0.000 A 1 LYS CE C 13 41.785 0.000 A 1 LYS CG C 13 24.444 0.017 A 1 LYS N N 15 125.314 0.000 A 2 TRP H H 1 7.708 0.002 A 2 TRP HA H 1 4.791 0.003 A 2 TRP HBy H 1 3.391 0.005 A 2 TRP HBx H 1 3.134 0.005 A 2 TRP HD1 H 1 7.187 0.001 A 2 TRP HE1 H 1 9.997 0.001 A 2 TRP HE3 H 1 7.267 0.000 A 2 TRP CA C 13 56.352 0.000 A 2 TRP CB C 13 29.884 0.004 A 2 TRP N N 15 122.184 0.000 A 3 CYS H H 1 8.220 0.003 A 3 CYS HA H 1 5.281 0.009 A 3 CYS HBy H 1 2.779 0.000 A 3 CYS HBx H 1 2.323 0.003 A 3 CYS CA C 13 55.400 0.000 A 3 CYS CB C 13 48.040 0.000 A 3 CYS N N 15 123.541 0.000 A 4 PHE H H 1 8.600 0.002 A 4 PHE HA H 1 4.646 0.012 A 4 PHE HBx H 1 2.795 0.003 A 4 PHE HBy H 1 2.795 0.003 A 4 PHE HDx H 1 6.533 0.001 A 4 PHE HDy H 1 6.533 0.001 A 4 PHE HEx H 1 6.894 0.000 A 4 PHE HEy H 1 6.894 0.000 A 4 PHE CA C 13 56.145 0.000 A 4 PHE CB C 13 42.058 0.000 A 4 PHE N N 15 119.837 0.000 A 5 ARG H H 1 8.429 0.002 A 5 ARG HA H 1 4.771 0.006 A 5 ARG HBy H 1 1.562 0.003 A 5 ARG HBx H 1 1.489 0.002 A 5 ARG HDx H 1 2.953 0.005 A 5 ARG HDy H 1 2.953 0.005 A 5 ARG HE H 1 7.033 0.000 A 5 ARG HGy H 1 1.345 0.001 A 5 ARG HGx H 1 1.265 0.000 A 5 ARG CA C 13 55.249 0.000 A 5 ARG CB C 13 32.186 0.008 A 5 ARG CD C 13 43.704 0.000 A 5 ARG CG C 13 27.925 0.000 A 5 ARG N N 15 121.062 0.000 A 6 VAL H H 1 8.714 0.003 A 6 VAL HA H 1 4.185 0.002 A 6 VAL HB H 1 1.435 0.006 A 6 VAL HGx% H 1 0.717 0.012 A 6 VAL HGy% H 1 0.693 0.008 A 6 VAL CA C 13 60.907 0.000 A 6 VAL CB C 13 34.448 0.000 A 6 VAL CGy C 13 21.103 0.000 A 6 VAL CGx C 13 21.095 0.000 A 6 VAL N N 15 126.108 0.000 A 7 CYS H H 1 8.465 0.004 A 7 CYS HA H 1 5.459 0.002 A 7 CYS HBy H 1 2.868 0.002 A 7 CYS HBx H 1 2.502 0.007 A 7 CYS CA C 13 55.200 0.000 A 7 CYS CB C 13 48.677 0.001 A 7 CYS N N 15 122.716 0.000 A 8 TYR H H 1 8.939 0.002 A 8 TYR HA H 1 4.584 0.005 A 8 TYR HBx H 1 2.890 0.005 A 8 TYR HBy H 1 2.890 0.005 A 8 TYR HDx H 1 7.086 0.004 A 8 TYR HDy H 1 7.086 0.004 A 8 TYR HEx H 1 6.688 0.001 A 8 TYR HEy H 1 6.688 0.001 A 8 TYR CA C 13 57.552 0.000 A 8 TYR CB C 13 40.742 0.000 A 8 TYR N N 15 123.423 0.000 A 9 ARG H H 1 9.099 0.005 A 9 ARG HA H 1 3.554 0.001 A 9 ARG HBy H 1 1.759 0.002 A 9 ARG HBx H 1 1.451 0.006 A 9 ARG HDx H 1 2.906 0.002 A 9 ARG HDy H 1 2.906 0.002 A 9 ARG HE H 1 6.876 0.000 A 9 ARG HGy H 1 1.070 0.005 A 9 ARG HGx H 1 0.760 0.006 A 9 ARG CA C 13 57.140 0.000 A 9 ARG CB C 13 27.964 0.007 A 9 ARG CD C 13 43.612 0.000 A 9 ARG CG C 13 27.345 0.001 A 9 ARG N N 15 125.339 0.000 A 10 GLY H H 1 8.420 0.002 A 10 GLY HAy H 1 4.004 0.002 A 10 GLY HAx H 1 3.412 0.003 A 10 GLY CA C 13 45.196 0.000 A 10 GLY N N 15 103.740 0.000 A 11 ILE H H 1 7.664 0.004 A 11 ILE HA H 1 4.185 0.002 A 11 ILE HB H 1 1.895 0.002 A 11 ILE HD1% H 1 0.738 0.002 A 11 ILE HG1y H 1 1.370 0.003 A 11 ILE HG1x H 1 1.037 0.002 A 11 ILE HG2% H 1 0.684 0.001 A 11 ILE CA C 13 60.060 0.000 A 11 ILE CB C 13 38.883 0.000 A 11 ILE CD1 C 13 12.140 0.000 A 11 ILE CG1 C 13 27.060 0.007 A 11 ILE CG2 C 13 17.407 0.000 A 11 ILE N N 15 122.449 0.000 A 12 CYS H H 1 8.500 0.002 A 12 CYS HA H 1 5.637 0.002 A 12 CYS HBy H 1 2.816 0.003 A 12 CYS HBx H 1 2.405 0.003 A 12 CYS CA C 13 55.133 0.000 A 12 CYS CB C 13 47.761 0.022 A 12 CYS N N 15 124.207 0.000 A 13 TYR H H 1 9.022 0.001 A 13 TYR HA H 1 4.665 0.001 A 13 TYR HBy H 1 2.905 0.005 A 13 TYR HBx H 1 2.759 0.002 A 13 TYR HDx H 1 6.855 0.002 A 13 TYR HDy H 1 6.855 0.002 A 13 TYR HEx H 1 6.546 0.000 A 13 TYR HEy H 1 6.546 0.000 A 13 TYR CA C 13 55.358 0.000 A 13 TYR CB C 13 40.738 0.000 A 13 TYR N N 15 120.714 0.000 A 14 ARG H H 1 8.458 0.002 A 14 ARG HA H 1 4.605 0.011 A 14 ARG HBy H 1 1.543 0.002 A 14 ARG HBx H 1 1.443 0.002 A 14 ARG HDx H 1 2.932 0.000 A 14 ARG HDy H 1 2.932 0.000 A 14 ARG HE H 1 7.026 0.000 A 14 ARG HGy H 1 1.270 0.003 A 14 ARG HGx H 1 1.173 0.004 A 14 ARG CA C 13 55.328 0.000 A 14 ARG CB C 13 31.676 0.036 A 14 ARG CG C 13 27.966 0.012 A 14 ARG N N 15 121.384 0.000 A 15 LYS H H 1 8.577 0.002 A 15 LYS HA H 1 4.346 0.003 A 15 LYS HBy H 1 1.218 0.004 A 15 LYS HBx H 1 1.101 0.003 A 15 LYS HDx H 1 1.559 0.002 A 15 LYS HDy H 1 1.559 0.002 A 15 LYS HEx H 1 2.800 0.001 A 15 LYS HEy H 1 2.800 0.001 A 15 LYS HGy H 1 1.115 0.009 A 15 LYS HGx H 1 1.053 0.004 A 15 LYS HZ1 H 1 7.464 0.002 A 15 LYS HZ2 H 1 7.464 0.002 A 15 LYS HZ3 H 1 7.464 0.002 A 15 LYS CA C 13 54.644 0.000 A 15 LYS CB C 13 35.648 0.004 A 15 LYS CD C 13 29.303 0.000 A 15 LYS CG C 13 24.998 0.010 A 15 LYS N N 15 128.301 0.000 A 16 CYS H H 1 8.418 0.003 A 16 CYS HA H 1 5.252 0.001 A 16 CYS HBx H 1 2.756 0.005 A 16 CYS HBy H 1 2.756 0.005 A 16 CYS CA C 13 55.617 0.000 A 16 CYS CB C 13 48.268 0.000 A 16 CYS N N 15 119.761 0.000 A 17 ARG H H 1 9.073 0.003 A 17 ARG HA H 1 4.427 0.003 A 17 ARG HBy H 1 1.950 0.003 A 17 ARG HBx H 1 1.804 0.002 A 17 ARG HDx H 1 3.185 0.001 A 17 ARG HDy H 1 3.185 0.002 A 17 ARG HE H 1 7.177 0.000 A 17 ARG HGy H 1 1.632 0.003 A 17 ARG HGx H 1 1.552 0.004 A 17 ARG CA C 13 55.270 0.000 A 17 ARG CB C 13 31.275 0.004 A 17 ARG CD C 13 43.641 0.000 A 17 ARG CG C 13 27.293 0.000 A 17 ARG N N 15 125.301 0.000 A 18 GLY H H 1 8.811 0.002 A 18 GLY HAy H 1 3.942 0.004 A 18 GLY HAx H 1 3.511 0.005 A 18 GLY CA C 13 46.672 0.006 A 18 GLY N N 15 116.372 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 8 TYR HA A 9 ARG H 1.0 1.8 2.92 2 2 A 9 ARG HA A 10 GLY H 1.0 1.8 3.28 3 3 A 9 ARG H A 10 GLY H 1.0 1.8 3.58 4 4 A 12 CYS HA A 13 TYR H 1.0 1.8 2.59 5 5 A 15 LYS HA A 16 CYS H 1.0 1.8 2.65 6 6 A 16 CYS HA A 17 ARG H 1.0 1.8 2.63 7 7 A 17 ARG HA A 18 GLY H 1.0 1.8 2.82 8 8 A 2 TRP HA A 3 CYS H 1.0 1.8 2.66 9 9 A 3 CYS HA A 4 PHE H 1.0 1.8 2.57 10 10 A 5 ARG HA A 6 VAL H 1.0 1.8 2.58 11 11 A 7 CYS HA A 8 TYR H 1.0 1.8 2.58 12 12 A 15 LYS H A 15 LYS HBy 1.0 1.8 3.72 13 13 A 15 LYS H A 15 LYS HBx 1.0 1.8 3.72 14 14 A 17 ARG H A 4 PHE H 1.0 1.8 5.50 15 15 A 13 TYR H A 15 LYS H 1.0 1.8 5.01 16 16 A 2 TRP H A 1 LYS HBx 1.0 1.8 4.90 17 17 A 2 TRP H A 1 LYS HBy 1.0 1.8 4.90 18 18 A 2 TRP H A 17 ARG HBy 1.0 1.8 5.47 19 19 A 2 TRP H A 17 ARG HBx 1.0 1.8 5.47 20 20 A 2 TRP H A 2 TRP HBy 1.0 1.8 3.26 21 21 A 2 TRP H A 2 TRP HBx 1.0 1.8 3.26 22 22 A 18 GLY HAy A 2 TRP H 1.0 1.8 5.48 23 23 A 18 GLY HAx A 2 TRP H 1.0 1.8 4.12 24 24 A 16 CYS HA A 2 TRP H 1.0 1.8 5.50 25 25 A 2 TRP H A 2 TRP HD1 1.0 1.8 4.91 26 26 A 17 ARG H A 2 TRP H 1.0 1.8 4.07 27 27 A 3 CYS H A 2 TRP H 1.0 1.8 4.66 28 28 A 18 GLY H A 2 TRP H 1.0 1.8 5.09 29 29 A 2 TRP HE1 A 4 PHE HD% 1.0 1.8 4.59 30 30 A 3 CYS H A 2 TRP HD1 1.0 1.8 4.55 31 31 A 2 TRP HD1 A 4 PHE HBy 1.0 1.8 4.66 32 32 A 3 CYS H A 2 TRP HBy 1.0 1.8 4.72 33 33 A 3 CYS H A 2 TRP HBx 1.0 1.8 4.72 34 34 A 17 ARG H A 2 TRP HBy 1.0 1.8 4.92 35 35 A 17 ARG H A 2 TRP HBx 1.0 1.8 4.92 36 36 A 3 CYS H A 3 CYS HBy 1.0 1.8 3.26 37 37 A 3 CYS H A 3 CYS HBx 1.0 1.8 3.97 38 38 A 3 CYS H A 4 PHE HD% 1.0 1.8 5.10 39 39 A 3 CYS H A 4 PHE H 1.0 1.8 4.62 40 40 A 4 PHE H A 3 CYS HBx 1.0 1.8 3.58 41 41 A 4 PHE H A 4 PHE HBy 1.0 1.8 3.64 42 42 A 4 PHE H A 4 PHE HD% 1.0 1.8 3.71 43 43 A 5 ARG HA A 5 ARG HGy 1.0 1.8 4.10 44 44 A 5 ARG HA A 5 ARG HGx 1.0 1.8 4.10 45 45 A 16 CYS H A 6 VAL HGy% 1.0 1.8 5.43 46 46 A 4 PHE HBx A 5 ARG H 1.0 1.8 2.80 47 47 A 10 GLY H A 10 GLY HAy 1.0 1.8 2.95 48 48 A 4 PHE HD% A 5 ARG H 1.0 1.8 4.20 49 49 A 10 GLY H A 8 TYR HD% 1.0 1.8 5.50 50 50 A 16 CYS H A 13 TYR HD% 1.0 1.8 5.50 51 51 A 10 GLY H A 8 TYR H 1.0 1.8 4.13 52 52 A 11 ILE HA A 11 ILE HG1x 1.0 1.8 4.14 53 53 A 11 ILE HA A 11 ILE HG1y 1.0 1.8 4.03 54 54 A 11 ILE HA A 11 ILE HD1% 1.0 1.8 4.00 55 55 A 6 VAL HGy% A 6 VAL HA 1.0 1.8 3.35 56 56 A 11 ILE HA A 11 ILE HG2% 1.0 1.8 3.56 57 57 A 6 VAL H A 6 VAL HGy% 1.0 1.8 3.66 58 58 A 6 VAL H A 6 VAL HB 1.0 1.8 3.49 59 59 A 6 VAL H A 5 ARG HGy 1.0 1.8 4.21 60 60 A 6 VAL H A 5 ARG HGx 1.0 1.8 4.21 61 61 A 6 VAL H A 12 CYS HBx 1.0 1.8 4.67 62 62 A 6 VAL H A 5 ARG HDx 1.0 1.8 5.50 63 63 A 6 VAL H A 5 ARG HDy 1.0 1.8 5.50 64 64 A 12 CYS HA A 6 VAL H 1.0 1.8 4.94 65 65 A 6 VAL H A 13 TYR HD% 1.0 1.8 4.66 66 66 A 6 VAL H A 7 CYS H 1.0 1.8 4.37 67 67 A 13 TYR H A 6 VAL H 1.0 1.8 3.32 68 68 A 7 CYS HA A 8 TYR HBx 1.0 1.8 4.86 69 69 A 7 CYS HA A 8 TYR HBy 1.0 1.8 5.18 70 70 A 7 CYS HA A 12 CYS HBx 1.0 1.8 4.70 71 71 A 7 CYS H A 6 VAL HGx% 1.0 1.8 3.67 72 72 A 14 ARG H A 14 ARG HBx 1.0 1.8 3.07 73 73 A 14 ARG H A 14 ARG HBy 1.0 1.8 3.07 74 74 A 7 CYS H A 7 CYS HBx 1.0 1.8 4.01 75 75 A 8 TYR H A 7 CYS HBx 1.0 1.8 3.65 76 76 A 8 TYR H A 8 TYR HBy 1.0 1.8 3.15 77 77 A 13 TYR HD% A 14 ARG H 1.0 1.8 4.25 78 78 A 13 TYR H A 7 CYS H 1.0 1.8 5.26 79 79 A 8 TYR H A 9 ARG HBy 1.0 1.8 5.33 80 80 A 8 TYR H A 11 ILE HG1x 1.0 1.8 5.32 81 81 A 8 TYR H A 11 ILE HB 1.0 1.8 4.38 82 82 A 8 TYR H A 12 CYS HBx 1.0 1.8 5.47 83 83 A 12 CYS HA A 8 TYR H 1.0 1.8 3.70 84 84 A 8 TYR H A 8 TYR HD% 1.0 1.8 4.39 85 85 A 8 TYR H A 13 TYR HD% 1.0 1.8 4.92 86 86 A 8 TYR H A 11 ILE H 1.0 1.8 3.40 87 87 A 8 TYR HD% A 9 ARG HBy 1.0 1.8 4.09 88 88 A 9 ARG HBy A 8 TYR HE% 1.0 1.8 4.43 89 89 A 8 TYR HD% A 9 ARG HGy 1.0 1.8 4.55 90 90 A 8 TYR HD% A 11 ILE HD1% 1.0 1.8 3.94 91 91 A 11 ILE HD1% A 8 TYR HE% 1.0 1.8 4.00 92 92 A 11 ILE HD1% A 8 TYR HBy 1.0 1.8 3.93 93 93 A 9 ARG H A 9 ARG HGx 1.0 1.8 3.97 94 94 A 9 ARG H A 9 ARG HGy 1.0 1.8 3.97 95 95 A 9 ARG H A 8 TYR HBx 1.0 1.8 5.02 96 96 A 9 ARG H A 8 TYR HBy 1.0 1.8 5.39 97 97 A 9 ARG H A 9 ARG HA 1.0 1.8 2.73 98 98 A 9 ARG H A 8 TYR HD% 1.0 1.8 4.22 99 99 A 9 ARG H A 11 ILE H 1.0 1.8 4.68 100 100 A 16 CYS H A 15 LYS HBx 1.0 1.8 4.33 101 101 A 16 CYS H A 15 LYS HBy 1.0 1.8 4.33 102 102 A 10 GLY H A 9 ARG HBx 1.0 1.8 4.77 103 103 A 10 GLY H A 7 CYS HBx 1.0 1.8 4.37 104 104 A 10 GLY H A 11 ILE H 1.0 1.8 3.40 105 105 A 11 ILE HA A 12 CYS HBy 1.0 1.8 4.98 106 106 A 11 ILE HG2% A 11 ILE H 1.0 1.8 4.15 107 107 A 11 ILE HG1y A 11 ILE H 1.0 1.8 4.01 108 108 A 11 ILE HG1x A 11 ILE H 1.0 1.8 3.78 109 109 A 11 ILE HB A 11 ILE H 1.0 1.8 3.19 110 110 A 11 ILE H A 9 ARG HBx 1.0 1.8 4.92 111 111 A 7 CYS HBx A 11 ILE H 1.0 1.8 4.96 112 112 A 8 TYR HBy A 11 ILE H 1.0 1.8 4.52 113 113 A 9 ARG HA A 11 ILE H 1.0 1.8 4.91 114 114 A 8 TYR HA A 11 ILE H 1.0 1.8 5.09 115 115 A 7 CYS HA A 11 ILE H 1.0 1.8 5.23 116 116 A 8 TYR HD% A 11 ILE H 1.0 1.8 5.14 117 117 A 11 ILE H A 12 CYS H 1.0 1.8 4.71 118 118 A 12 CYS HA A 11 ILE HG2% 1.0 1.8 4.80 119 119 A 11 ILE HG2% A 12 CYS H 1.0 1.8 3.52 120 120 A 11 ILE HG1y A 12 CYS H 1.0 1.8 5.25 121 121 A 11 ILE HG1x A 12 CYS H 1.0 1.8 5.03 122 122 A 11 ILE HB A 12 CYS H 1.0 1.8 4.46 123 123 A 12 CYS HBx A 12 CYS H 1.0 1.8 3.85 124 124 A 12 CYS HBy A 12 CYS H 1.0 1.8 3.19 125 125 A 13 TYR H A 12 CYS HBx 1.0 1.8 3.42 126 126 A 6 VAL HGy% A 4 PHE HA 1.0 1.8 5.40 127 127 A 13 TYR H A 6 VAL HGy% 1.0 1.8 5.15 128 128 A 13 TYR H A 11 ILE HG2% 1.0 1.8 5.46 129 129 A 13 TYR H A 6 VAL HB 1.0 1.8 4.22 130 130 A 13 TYR H A 13 TYR HBx 1.0 1.8 3.84 131 131 A 13 TYR H A 13 TYR HBy 1.0 1.8 4.05 132 132 A 13 TYR H A 6 VAL HA 1.0 1.8 5.12 133 133 A 13 TYR H A 5 ARG HA 1.0 1.8 4.65 134 134 A 13 TYR H A 7 CYS HA 1.0 1.8 3.66 135 135 A 13 TYR H A 13 TYR HD% 1.0 1.8 3.59 136 136 A 14 ARG H A 14 ARG HGy 1.0 1.8 4.77 137 137 A 14 ARG H A 14 ARG HGx 1.0 1.8 4.77 138 138 A 14 ARG H A 13 TYR HBy 1.0 1.8 3.08 139 139 A 17 ARG H A 4 PHE HD% 1.0 1.8 4.85 140 140 A 12 CYS HA A 13 TYR HD% 1.0 1.8 3.88 141 141 A 7 CYS HA A 13 TYR HD% 1.0 1.8 4.71 142 142 A 3 CYS HA A 4 PHE HD% 1.0 1.8 3.78 143 143 A 5 ARG HA A 4 PHE HD% 1.0 1.8 4.78 144 144 A 15 LYS HA A 13 TYR HD% 1.0 1.8 4.41 145 145 A 13 TYR HD% A 11 ILE HA 1.0 1.8 5.20 146 146 A 4 PHE HD% A 6 VAL HA 1.0 1.8 4.86 147 147 A 13 TYR HD% A 15 LYS HDx 1.0 1.8 5.50 148 148 A 13 TYR HD% A 15 LYS HDy 1.0 1.8 5.50 149 149 A 13 TYR HD% A 6 VAL HB 1.0 1.8 3.97 150 150 A 13 TYR HD% A 15 LYS HBy 1.0 1.8 4.28 151 151 A 13 TYR HD% A 15 LYS HBx 1.0 1.8 4.28 152 152 A 13 TYR HD% A 11 ILE HG2% 1.0 1.8 3.13 153 153 A 15 LYS H A 14 ARG HA 1.0 1.8 3.29 154 154 A 17 ARG H A 17 ARG HGy 1.0 1.8 5.04 155 155 A 17 ARG H A 17 ARG HGx 1.0 1.8 5.04 156 156 A 17 ARG H A 17 ARG HBy 1.0 1.8 3.74 157 157 A 17 ARG H A 17 ARG HBx 1.0 1.8 3.74 158 158 A 17 ARG H A 16 CYS HBy 1.0 1.8 3.67 159 159 A 17 ARG H A 18 GLY H 1.0 1.8 4.75 160 160 A 18 GLY H A 17 ARG HBy 1.0 1.8 4.84 161 161 A 18 GLY H A 17 ARG HBx 1.0 1.8 4.84 162 162 A 18 GLY H A 18 GLY HAy 1.0 1.8 2.86 163 163 A 17 ARG HA A 17 ARG HGy 1.0 1.8 4.24 164 164 A 17 ARG HA A 17 ARG HGx 1.0 1.8 4.24 165 165 A 11 ILE HG1x A 10 GLY HAx 1.0 1.8 3.95 166 166 A 12 CYS HBx A 5 ARG HBx 1.0 1.8 5.49 167 167 A 12 CYS HBx A 5 ARG HGy 1.0 1.8 4.32 168 168 A 12 CYS HBx A 5 ARG HGx 1.0 1.8 4.32 169 169 A 3 CYS HBx A 14 ARG HGy 1.0 1.8 4.46 170 170 A 3 CYS HBx A 14 ARG HGx 1.0 1.8 4.46 171 171 A 11 ILE HD1% A 11 ILE HB 1.0 1.8 3.72 172 172 A 4 PHE HD% A 6 VAL HGy% 1.0 1.8 3.50 173 173 A 2 TRP H A 16 CYS HBy 1.0 1.8 5.26 174 174 A 2 TRP HD1 A 3 CYS HBy 1.0 1.8 5.02 175 175 A 2 TRP HA A 2 TRP HD1 1.0 1.8 4.06 176 176 A 3 CYS HA A 2 TRP HD1 1.0 1.8 5.30 177 177 A 2 TRP HD1 A 4 PHE HD% 1.0 1.8 4.62 178 178 A 5 ARG HA A 5 ARG HDx 1.0 1.8 5.50 179 179 A 5 ARG HA A 5 ARG HDy 1.0 1.8 5.50 180 180 A 8 TYR HD% A 9 ARG HBx 1.0 1.8 5.35 181 181 A 8 TYR HD% A 9 ARG HGx 1.0 1.8 4.55 182 182 A 8 TYR HA A 8 TYR HD% 1.0 1.8 3.50 183 183 A 8 TYR HA A 8 TYR HE% 1.0 1.8 5.22 184 184 A 12 CYS HA A 8 TYR HBy 1.0 1.8 5.28 185 185 A 15 LYS HA A 15 LYS HDx 1.0 1.8 5.50 186 186 A 15 LYS HA A 15 LYS HDy 1.0 1.8 5.50 187 187 A 12 CYS HBx A 5 ARG HBy 1.0 1.8 5.49 188 188 A 11 ILE HD1% A 9 ARG HBy 1.0 1.8 3.31 189 189 A 8 TYR HA A 11 ILE HD1% 1.0 1.8 5.50 190 190 A 1 LYS HA A 1 LYS HGx 1.0 1.8 3.72 191 190 A 1 LYS HGy A 1 LYS HA 1.0 1.8 3.72 192 191 A 2 TRP H A 1 LYS HBx 1.0 1.8 4.20 193 191 A 2 TRP H A 1 LYS HBy 1.0 1.8 4.20 194 192 A 2 TRP H A 1 LYS HGx 1.0 1.8 4.46 195 192 A 2 TRP H A 1 LYS HGy 1.0 1.8 4.46 196 193 A 2 TRP H A 17 ARG HBx 1.0 1.8 4.69 197 193 A 2 TRP H A 17 ARG HBy 1.0 1.8 4.69 198 194 A 3 CYS H A 2 TRP HBx 1.0 1.8 3.99 199 194 A 3 CYS H A 2 TRP HBy 1.0 1.8 3.99 200 195 A 17 ARG H A 2 TRP HBx 1.0 1.8 4.09 201 195 A 17 ARG H A 2 TRP HBy 1.0 1.8 4.09 202 196 A 5 ARG H A 5 ARG HBx 1.0 1.8 3.11 203 196 A 5 ARG H A 5 ARG HBy 1.0 1.8 3.11 204 197 A 5 ARG H A 5 ARG HGx 1.0 1.8 4.49 205 197 A 5 ARG H A 5 ARG HGy 1.0 1.8 4.49 206 198 A 5 ARG HA A 5 ARG HDx 1.0 1.8 4.85 207 198 A 5 ARG HA A 5 ARG HDy 1.0 1.8 4.85 208 199 A 5 ARG HBx A 5 ARG HGx 1.0 1.8 2.22 209 199 A 5 ARG HGy A 5 ARG HBx 1.0 1.8 2.22 210 199 A 5 ARG HBy A 5 ARG HGy 1.0 1.8 2.22 211 199 A 5 ARG HBy A 5 ARG HGx 1.0 1.8 2.22 212 200 A 6 VAL H A 5 ARG HBx 1.0 1.8 4.32 213 200 A 6 VAL H A 5 ARG HBy 1.0 1.8 4.32 214 201 A 12 CYS HBx A 5 ARG HGx 1.0 1.8 3.75 215 201 A 12 CYS HBx A 5 ARG HGy 1.0 1.8 3.75 216 202 A 8 TYR HD% A 9 ARG HGx 1.0 1.8 3.78 217 202 A 8 TYR HD% A 9 ARG HGy 1.0 1.8 3.78 218 203 A 8 TYR HE% A 9 ARG HGx 1.0 1.8 4.48 219 203 A 8 TYR HE% A 9 ARG HGy 1.0 1.8 4.48 220 204 A 8 TYR HE% A 9 ARG HDx 1.0 1.8 3.61 221 204 A 8 TYR HE% A 9 ARG HDy 1.0 1.8 3.61 222 205 A 9 ARG H A 9 ARG HGx 1.0 1.8 3.41 223 205 A 9 ARG H A 9 ARG HGy 1.0 1.8 3.41 224 206 A 9 ARG HA A 9 ARG HGx 1.0 1.8 3.67 225 206 A 9 ARG HA A 9 ARG HGy 1.0 1.8 3.67 226 207 A 11 ILE HD1% A 9 ARG HDx 1.0 1.8 4.10 227 207 A 11 ILE HD1% A 9 ARG HDy 1.0 1.8 4.10 228 208 A 13 TYR HD% A 15 LYS HBx 1.0 1.8 3.60 229 208 A 13 TYR HD% A 15 LYS HBy 1.0 1.8 3.60 230 209 A 13 TYR HD% A 15 LYS HDx 1.0 1.8 4.76 231 209 A 13 TYR HD% A 15 LYS HDy 1.0 1.8 4.76 232 210 A 14 ARG HBx A 14 ARG HGx 1.0 1.8 2.31 233 210 A 14 ARG HBy A 14 ARG HGx 1.0 1.8 2.31 234 210 A 14 ARG HGy A 14 ARG HBx 1.0 1.8 2.31 235 210 A 14 ARG HBy A 14 ARG HGy 1.0 1.8 2.31 236 211 A 14 ARG HBy A 14 ARG HDx 1.0 1.8 3.29 237 211 A 14 ARG HBx A 14 ARG HDx 1.0 1.8 3.29 238 211 A 14 ARG HDy A 14 ARG HBx 1.0 1.8 3.29 239 211 A 14 ARG HBy A 14 ARG HDy 1.0 1.8 3.29 240 212 A 15 LYS H A 14 ARG HDx 1.0 1.8 5.34 241 212 A 15 LYS H A 14 ARG HDy 1.0 1.8 5.34 242 213 A 15 LYS H A 15 LYS HBx 1.0 1.8 3.17 243 213 A 15 LYS H A 15 LYS HBy 1.0 1.8 3.17 244 214 A 15 LYS HA A 15 LYS HDx 1.0 1.8 4.65 245 214 A 15 LYS HA A 15 LYS HDy 1.0 1.8 4.65 246 215 A 16 CYS H A 15 LYS HBx 1.0 1.8 3.66 247 215 A 16 CYS H A 15 LYS HBy 1.0 1.8 3.66 248 216 A 16 CYS H A 15 LYS HGy 1.0 1.8 4.40 249 216 A 16 CYS H A 15 LYS HGx 1.0 1.8 4.40 250 217 A 17 ARG H A 17 ARG HGx 1.0 1.8 4.28 251 217 A 17 ARG H A 17 ARG HGy 1.0 1.8 4.28 252 218 A 17 ARG HE A 17 ARG HBx 1.0 1.8 4.96 253 218 A 17 ARG HBy A 17 ARG HE 1.0 1.8 4.96 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 -60.0 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 -150.0 -90.0 PHI 6 6 A 4 PHE N A 4 PHE CA A 4 PHE C A 5 ARG N 1.0 110.0 170.0 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 1.0 120.0 180.0 PSI 13 13 A 7 CYS C A 8 TYR N A 8 TYR CA A 8 TYR C 1.0 -150.0 -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 20.0 60.0 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 -140.0 -80.0 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 -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 -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 -140.0 -80.0 PHI 28 28 A 15 LYS N A 15 LYS CA A 15 LYS C A 16 CYS N 1.0 110.0 170.0 PSI 29 29 A 15 LYS C A 16 CYS N A 16 CYS CA A 16 CYS C 1.0 -150.0 -110.0 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 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 9 ARG N A 9 ARG CA A 9 ARG CB A 9 ARG CG 1.0 -90.0 -30.0 CHI1 36 36 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_