data_nef_c18970_2m3n 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 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 1JBL PDB 1GM2 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 5 CYS SG 1 15 CYS SG 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 LEU start . . 2 A 2 VAL middle . . 3 A 3 ARG middle . . 4 A 4 GLY middle . false 5 A 5 CYS middle -HG . 6 A 6 TRP middle . . 7 A 7 THR middle . . 8 A 8 LYS middle . . 9 A 9 SER middle . . 10 A 10 TYR middle . . 11 A 11 PRO middle . true 12 A 12 PRO middle . false 13 A 13 LYS middle . . 14 A 14 PRO middle . false 15 A 15 CYS middle -HG . 16 A 16 PHE middle . . 17 A 17 VAL middle . . 18 A 18 ARG end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_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 LEU HA H 1 4.0550 . A 1 LEU HBx H 1 1.6800 . A 1 LEU HBy H 1 1.6980 . A 1 LEU HDx% H 1 0.9140 . A 1 LEU HDy% H 1 0.9100 . A 1 LEU HG H 1 1.6010 . A 1 LEU CA C 13 54.6100 . A 1 LEU CB C 13 42.8700 . A 1 LEU CDx C 13 24.2570 . A 1 LEU CDy C 13 24.4200 . A 2 VAL H H 1 8.6490 . A 2 VAL HA H 1 4.1680 . A 2 VAL HB H 1 2.0230 . A 2 VAL HGx% H 1 0.9160 . A 2 VAL HGy% H 1 0.9090 . A 2 VAL CA C 13 62.4900 . A 2 VAL CB C 13 33.0100 . A 2 VAL CGx C 13 21.1100 . A 3 ARG H H 1 8.6740 . A 3 ARG HA H 1 4.4040 . A 3 ARG HBx H 1 1.7950 . A 3 ARG HBy H 1 1.8130 . A 3 ARG HDx H 1 3.1950 . A 3 ARG HDy H 1 3.2030 . A 3 ARG HE H 1 7.2070 . A 3 ARG HGy H 1 1.7910 . A 3 ARG CA C 13 56.3100 . A 3 ARG CB C 13 31.0000 . A 3 ARG CD C 13 43.4600 . A 4 GLY H H 1 8.4840 . A 4 GLY HAy H 1 3.9020 . A 4 GLY HAx H 1 3.9010 . A 4 GLY CA C 13 44.9600 . A 5 CYS H H 1 8.0440 . A 5 CYS HA H 1 4.6610 . A 5 CYS HBx H 1 2.6900 . A 5 CYS HBy H 1 3.0380 . A 5 CYS CA C 13 57.0100 . A 5 CYS CB C 13 37.5000 . A 6 TRP H H 1 7.2270 . A 6 TRP HA H 1 5.1090 . A 6 TRP HBx H 1 2.9820 . A 6 TRP HBy H 1 3.2980 . A 6 TRP HZ2 H 1 7.4880 . A 6 TRP CA C 13 56.6900 . A 6 TRP CB C 13 32.1600 . A 6 TRP CZ2 C 13 114.8340 . A 7 THR H H 1 9.2520 . A 7 THR HA H 1 4.3300 . A 7 THR HB H 1 4.4470 . A 7 THR HG2% H 1 1.1760 . A 7 THR CA C 13 61.8500 . A 7 THR CB C 13 70.4400 . A 7 THR CG2 C 13 22.2700 . A 8 LYS H H 1 8.4660 . A 8 LYS HA H 1 4.4550 . A 8 LYS HBx H 1 1.7010 . A 8 LYS HBy H 1 1.9850 . A 8 LYS HDx H 1 1.7090 . A 8 LYS HDy H 1 1.7090 . A 8 LYS HEy H 1 3.0380 . A 8 LYS HEx H 1 3.0330 . A 8 LYS HGx H 1 1.4430 . A 8 LYS HGy H 1 1.5170 . A 8 LYS HZ1 H 1 7.5000 . A 8 LYS HZ2 H 1 7.5000 . A 8 LYS HZ3 H 1 7.5000 . A 8 LYS CA C 13 55.8800 . A 8 LYS CE C 13 42.2000 . A 9 SER H H 1 7.5080 . A 9 SER HA H 1 4.3880 . A 9 SER HBx H 1 3.7750 . A 9 SER HBy H 1 3.8780 . A 9 SER CA C 13 57.5900 . A 9 SER CB C 13 65.1450 . A 10 TYR H H 1 8.4920 . A 10 TYR HA H 1 4.6140 . A 10 TYR HBx H 1 2.8890 . A 10 TYR HBy H 1 2.9520 . A 10 TYR HEy H 1 6.8480 . A 10 TYR CA C 13 55.5600 . A 10 TYR CB C 13 40.5200 . A 10 TYR CE2 C 13 118.4740 . A 11 PRO HA H 1 4.2920 . A 11 PRO HBx H 1 2.0940 . A 11 PRO HDx H 1 3.3910 . A 11 PRO HDy H 1 3.4910 . A 11 PRO CA C 13 62.0200 . A 11 PRO CB C 13 32.9500 . A 11 PRO CD C 13 50.1700 . A 12 PRO HA H 1 4.3270 . A 12 PRO HBx H 1 2.5040 . A 12 PRO HDx H 1 3.5210 . A 12 PRO HDy H 1 3.6630 . A 12 PRO CA C 13 63.7500 . A 12 PRO CB C 13 32.8900 . A 12 PRO CD C 13 50.7250 . A 13 LYS H H 1 8.2090 . A 13 LYS HA H 1 4.9750 . A 13 LYS HBx H 1 1.6320 . A 13 LYS HBy H 1 1.7840 . A 13 LYS HDx H 1 1.6550 . A 13 LYS HDy H 1 1.6550 . A 13 LYS HEy H 1 2.9390 . A 13 LYS HEx H 1 2.9370 . A 13 LYS HGx H 1 1.4120 . A 13 LYS HGy H 1 1.4540 . A 13 LYS HZ1 H 1 7.5000 . A 13 LYS HZ2 H 1 7.5000 . A 13 LYS HZ3 H 1 7.5000 . A 13 LYS CA C 13 53.2800 . A 13 LYS CE C 13 42.1800 . A 14 PRO HA H 1 4.1170 . A 14 PRO HDx H 1 3.5210 . A 14 PRO HDy H 1 3.7710 . A 14 PRO CA C 13 62.7500 . A 14 PRO CD C 13 50.6500 . A 15 CYS H H 1 7.8600 . A 15 CYS HA H 1 4.0840 . A 15 CYS HBx H 1 2.7180 . A 15 CYS HBy H 1 3.1210 . A 15 CYS CA C 13 55.3900 . A 15 CYS CB C 13 41.0950 . A 16 PHE H H 1 8.3450 . A 16 PHE HA H 1 4.6110 . A 16 PHE HBx H 1 3.0020 . A 16 PHE HBy H 1 3.0020 . A 16 PHE CA C 13 57.6800 . A 16 PHE CB C 13 40.1300 . A 17 VAL H H 1 8.0490 . A 17 VAL HA H 1 3.9880 . A 17 VAL HB H 1 1.9230 . A 17 VAL HGx% H 1 0.8440 . A 17 VAL CA C 13 62.0700 . A 17 VAL CB C 13 33.3600 . A 17 VAL CGx C 13 21.0300 . A 18 ARG H H 1 8.3450 . A 18 ARG HA H 1 4.1690 . A 18 ARG HDy H 1 3.2150 . A 18 ARG HDx H 1 3.2140 . A 18 ARG HE H 1 7.2320 . A 18 ARG CA C 13 56.1700 . 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 7 THR O A 13 LYS H 1.0 1.5 2.30 2 2 A 7 THR O A 13 LYS N 1.0 2.5 3.30 3 3 A 9 SER HA A 9 SER HBx 1.0 0.0 4.05 4 4 A 5 CYS H A 5 CYS HA 1.0 0.0 4.10 5 5 A 16 PHE HA A 17 VAL H 1.0 0.0 3.42 6 6 A 11 PRO HA A 12 PRO HDy 1.0 0.0 3.20 7 7 A 11 PRO HA A 12 PRO HDx 1.0 0.0 2.83 8 8 A 9 SER HA A 9 SER HBy 1.0 0.0 3.33 9 9 A 15 CYS H A 15 CYS HBy 1.0 0.0 3.53 10 10 A 15 CYS H A 5 CYS HBx 1.0 0.0 5.00 11 11 A 15 CYS H A 15 CYS HBx 1.0 0.0 5.00 12 12 A 6 TRP HZ3 A 13 LYS HDx 1.0 0.0 5.00 13 13 A 6 TRP HBy A 6 TRP HD1 1.0 0.0 4.48 14 14 A 6 TRP HZ3 A 14 PRO HDx 1.0 0.0 4.40 15 15 A 6 TRP HA A 14 PRO HA 1.0 0.0 3.47 16 16 A 14 PRO HDx A 13 LYS HA 1.0 0.0 3.05 17 17 A 13 LYS HA A 14 PRO HDy 1.0 0.0 3.57 18 18 A 10 TYR HA A 10 TYR HBy 1.0 0.0 3.57 19 19 A 12 PRO HDx A 10 TYR HA 1.0 0.0 3.58 20 20 A 12 PRO HDy A 10 TYR HA 1.0 0.0 4.35 21 21 A 15 CYS HBy A 15 CYS HA 1.0 0.0 3.40 22 22 A 15 CYS HBx A 15 CYS HA 1.0 0.0 3.62 23 23 A 11 PRO HA A 10 TYR HBy 1.0 0.0 5.00 24 24 A 6 TRP HA A 6 TRP HBx 1.0 0.0 4.65 25 25 A 5 CYS HA A 15 CYS HBy 1.0 0.0 5.00 26 26 A 12 PRO HBx A 12 PRO HA 1.0 0.0 3.12 27 27 A 13 LYS H A 12 PRO HBx 1.0 0.0 5.00 28 28 A 5 CYS H A 5 CYS HBy 1.0 0.0 5.00 29 29 A 15 CYS HBy A 16 PHE H 1.0 0.0 3.77 30 30 A 13 LYS H A 12 PRO HBy 1.0 0.0 5.00 31 31 A 17 VAL H A 17 VAL HB 1.0 0.0 3.92 32 32 A 8 LYS H A 8 LYS HBx 1.0 0.0 4.25 33 33 A 15 CYS HBx A 16 PHE H 1.0 0.0 4.98 34 34 A 13 LYS H A 14 PRO HDx 1.0 0.0 5.00 35 35 A 9 SER HBy A 10 TYR H 1.0 0.0 4.19 36 36 A 10 TYR HBy A 10 TYR H 1.0 0.0 3.75 37 37 A 10 TYR H A 10 TYR HBx 1.0 0.0 3.51 38 38 A 5 CYS H A 5 CYS HBx 1.0 0.0 3.86 39 39 A 12 PRO HA A 9 SER H 1.0 0.0 4.45 40 40 A 9 SER HA A 9 SER H 1.0 0.0 4.25 41 41 A 9 SER H A 8 LYS HA 1.0 0.0 4.29 42 42 A 9 SER HBy A 9 SER H 1.0 0.0 5.00 43 43 A 9 SER HBx A 9 SER H 1.0 0.0 4.30 44 44 A 15 CYS H A 14 PRO HA 1.0 0.0 2.65 45 45 A 8 LYS H A 8 LYS HGx 1.0 0.0 5.00 46 46 A 18 ARG H A 18 ARG HBy 1.0 0.0 4.23 47 47 A 18 ARG H A 18 ARG HBx 1.0 0.0 4.96 48 48 A 13 LYS H A 7 THR HG2% 1.0 0.0 5.00 49 49 A 8 LYS H A 7 THR HG2% 1.0 0.0 5.00 50 50 A 13 LYS H A 13 LYS HGx 1.0 0.0 5.00 51 51 A 3 ARG HA A 3 ARG HBy 1.0 0.0 4.35 52 52 A 11 PRO HA A 11 PRO HBy 1.0 0.0 3.60 53 53 A 12 PRO HA A 12 PRO HBy 1.0 0.0 3.82 54 54 A 13 LYS HA A 13 LYS HGy 1.0 0.0 5.00 55 55 A 6 TRP HA A 7 THR HG2% 1.0 0.0 5.00 56 56 A 8 LYS HBx A 8 LYS HA 1.0 0.0 3.60 57 57 A 8 LYS HA A 8 LYS HBy 1.0 0.0 3.50 58 58 A 13 LYS HDx A 14 PRO HA 1.0 0.0 4.69 59 59 A 14 PRO HA A 14 PRO HBy 1.0 0.0 4.10 60 60 A 12 PRO HA A 12 PRO HGx 1.0 0.0 4.10 61 61 A 11 PRO HA A 11 PRO HBx 1.0 0.0 3.25 62 62 A 14 PRO HA A 14 PRO HBx 1.0 0.0 3.10 63 63 A 7 THR HA A 7 THR HB 1.0 0.0 3.41 64 64 A 11 PRO HA A 10 TYR HA 1.0 0.0 2.79 65 65 A 7 THR HG2% A 13 LYS HBy 1.0 0.0 4.84 66 66 A 5 CYS HA A 5 CYS HBx 1.0 0.0 4.65 67 67 A 16 PHE H A 7 THR HG2% 1.0 0.0 5.00 68 68 A 13 LYS H A 12 PRO HBx 1.0 0.0 4.48 69 69 A 13 LYS HA A 13 LYS HBx 1.0 0.0 3.51 70 70 A 13 LYS HA A 13 LYS HBy 1.0 0.0 3.73 71 71 A 13 LYS HA A 13 LYS HGx 1.0 0.0 5.00 72 72 A 8 LYS HBx A 8 LYS HGx 1.0 0.0 3.77 73 73 A 8 LYS HBx A 8 LYS HGy 1.0 0.0 4.17 74 74 A 2 VAL HGx% A 2 VAL HB 1.0 0.0 3.25 75 75 A 12 PRO HDy A 11 PRO HBy 1.0 0.0 3.29 76 76 A 12 PRO HDy A 12 PRO HGy 1.0 0.0 3.02 77 77 A 12 PRO HDy A 12 PRO HGx 1.0 0.0 3.51 78 78 A 14 PRO HDx A 14 PRO HGx 1.0 0.0 3.57 79 79 A 14 PRO HDy A 14 PRO HGy 1.0 0.0 4.41 80 80 A 14 PRO HDy A 14 PRO HGx 1.0 0.0 3.72 81 81 A 12 PRO HBx A 12 PRO HGx 1.0 0.0 3.46 82 82 A 12 PRO HBx A 12 PRO HBy 1.0 0.0 2.69 83 83 A 10 TYR HA A 10 TYR HBx 1.0 0.0 3.10 84 84 A 12 PRO HDy A 11 PRO HBx 1.0 0.0 3.97 85 85 A 6 TRP HBx A 14 PRO HBx 1.0 0.0 4.20 86 86 A 11 PRO HBy A 11 PRO HDy 1.0 0.0 4.49 87 87 A 7 THR HG2% A 7 THR HA 1.0 0.0 3.98 88 88 A 15 CYS HA A 7 THR HG2% 1.0 0.0 3.93 89 89 A 15 CYS HBx A 7 THR HG2% 1.0 0.0 5.00 90 90 A 8 LYS HA A 8 LYS HGx 1.0 0.0 5.00 91 91 A 8 LYS HA A 8 LYS HGy 1.0 0.0 5.00 92 92 A 7 THR HG2% A 7 THR HB 1.0 0.0 3.52 93 93 A 12 PRO HDx A 12 PRO HBx 1.0 0.0 5.00 94 94 A 12 PRO HDx A 12 PRO HGx 1.0 0.0 3.48 95 95 A 14 PRO HDx A 13 LYS HBx 1.0 0.0 4.45 96 96 A 11 PRO HBx A 11 PRO HDy 1.0 0.0 5.00 97 97 A 15 CYS HBy A 15 CYS HBx 1.0 0.0 2.20 98 98 A 5 CYS H A 5 CYS HBx 1.0 0.0 3.66 99 99 A 15 CYS HBx A 16 PHE H 1.0 0.0 3.91 100 100 A 6 TRP HBy A 6 TRP H 1.0 0.0 3.19 101 101 A 6 TRP HD1 A 6 TRP HBx 1.0 0.0 4.56 102 102 A 15 CYS H A 5 CYS HBx 1.0 0.0 4.53 103 103 A 15 CYS H A 15 CYS HBx 1.0 0.0 4.55 104 104 A 6 TRP HZ3 A 14 PRO HDx 1.0 0.0 3.84 105 105 A 9 SER HBy A 9 SER H 1.0 0.0 3.90 106 106 A 9 SER HBx A 9 SER H 1.0 0.0 4.18 107 107 A 6 TRP HBx A 6 TRP H 1.0 0.0 4.12 108 108 A 6 TRP HBy A 7 THR H 1.0 0.0 4.67 109 109 A 6 TRP HBx A 7 THR H 1.0 0.0 4.15 110 110 A 3 ARG H A 3 ARG HBx 1.0 0.0 4.68 111 111 A 15 CYS H A 15 CYS HBy 1.0 0.0 3.73 112 112 A 5 CYS H A 5 CYS HBy 1.0 0.0 3.84 113 113 A 3 ARG HBx A 4 GLY H 1.0 0.0 5.00 114 114 A 2 VAL HB A 2 VAL H 1.0 0.0 3.68 115 115 A 3 ARG HBy A 3 ARG H 1.0 0.0 3.75 116 116 A 5 CYS HBy A 6 TRP H 1.0 0.0 4.31 117 117 A 6 TRP HZ3 A 14 PRO HDy 1.0 0.0 5.00 118 118 A 6 TRP HBy A 6 TRP HD1 1.0 0.0 3.79 119 119 A 15 CYS HBy A 16 PHE H 1.0 0.0 4.29 120 120 A 10 TYR HBy A 10 TYR H 1.0 0.0 3.37 121 121 A 10 TYR H A 10 TYR HBx 1.0 0.0 3.34 122 122 A 5 CYS HA A 6 TRP H 1.0 0.0 2.59 123 123 A 7 THR HB A 7 THR H 1.0 0.0 4.92 124 124 A 7 THR HA A 7 THR H 1.0 0.0 3.85 125 125 A 8 LYS H A 7 THR HA 1.0 0.0 2.75 126 126 A 10 TYR HA A 10 TYR H 1.0 0.0 4.20 127 127 A 3 ARG HA A 3 ARG H 1.0 0.0 4.56 128 128 A 13 LYS H A 13 LYS HA 1.0 0.0 4.53 129 129 A 6 TRP HA A 6 TRP H 1.0 0.0 3.78 130 130 A 6 TRP HA A 7 THR H 1.0 0.0 3.01 131 131 A 6 TRP HZ3 A 13 LYS HA 1.0 0.0 4.00 132 132 A 6 TRP HD1 A 6 TRP HA 1.0 0.0 5.00 133 133 A 15 CYS H A 6 TRP HA 1.0 0.0 4.17 134 134 A 15 CYS HA A 16 PHE H 1.0 0.0 3.22 135 135 A 18 ARG H A 17 VAL HA 1.0 0.0 2.88 136 136 A 9 SER HBy A 10 TYR H 1.0 0.0 3.93 137 137 A 15 CYS H A 14 PRO HA 1.0 0.0 2.92 138 138 A 17 VAL H A 17 VAL HA 1.0 0.0 3.61 139 139 A 13 LYS H A 14 PRO HDx 1.0 0.0 5.00 140 140 A 9 SER H A 8 LYS HA 1.0 0.0 3.07 141 141 A 13 LYS H A 12 PRO HA 1.0 0.0 2.75 142 142 A 16 PHE HA A 16 PHE H 1.0 0.0 4.08 143 143 A 2 VAL H A 1 LEU HA 1.0 0.0 3.13 144 144 A 5 CYS HA A 6 TRP HD1 1.0 0.0 5.00 145 145 A 9 SER HA A 9 SER H 1.0 0.0 3.75 146 146 A 7 THR HG2% A 7 THR H 1.0 0.0 4.12 147 147 A 6 TRP HBx A 7 THR H 1.0 0.0 5.00 148 148 A 7 THR HA A 7 THR H 1.0 0.0 4.79 149 149 A 2 VAL H A 1 LEU HA 1.0 0.0 3.37 150 150 A 3 ARG H A 2 VAL HA 1.0 0.0 3.10 151 151 A 3 ARG HA A 3 ARG H 1.0 0.0 5.00 152 152 A 6 TRP HD1 A 6 TRP H 1.0 0.0 4.62 153 153 A 6 TRP HD1 A 6 TRP HE1 1.0 0.0 3.52 154 154 A 15 CYS H A 16 PHE H 1.0 0.0 4.21 155 155 A 13 LYS H A 7 THR H 1.0 0.0 3.92 156 156 A 8 LYS H A 7 THR H 1.0 0.0 5.00 157 157 A 6 TRP H A 7 THR H 1.0 0.0 5.00 158 158 A 18 ARG H A 18 ARG HA 1.0 0.0 4.30 159 159 A 13 LYS H A 12 PRO HA 1.0 0.0 2.80 160 160 A 8 LYS H A 7 THR HA 1.0 0.0 3.32 161 161 A 17 VAL H A 17 VAL HA 1.0 0.0 4.16 162 162 A 18 ARG H A 17 VAL HA 1.0 0.0 3.01 163 163 A 15 CYS HA A 16 PHE H 1.0 0.0 2.86 164 164 A 5 CYS HBy A 6 TRP H 1.0 0.0 5.00 165 165 A 6 TRP HBy A 6 TRP H 1.0 0.0 3.88 166 166 A 6 TRP HBx A 6 TRP H 1.0 0.0 5.00 167 167 A 9 SER HA A 10 TYR H 1.0 0.0 3.07 168 168 A 3 ARG HBy A 3 ARG H 1.0 0.0 5.00 169 169 A 3 ARG H A 3 ARG HBx 1.0 0.0 4.50 170 170 A 8 LYS H A 8 LYS HGy 1.0 0.0 5.00 171 171 A 7 THR HG2% A 7 THR H 1.0 0.0 4.04 172 172 A 15 CYS H A 14 PRO HBx 1.0 0.0 5.00 173 173 A 13 LYS H A 13 LYS HGx 1.0 0.0 5.00 174 174 A 8 LYS H A 8 LYS HGx 1.0 0.0 5.00 175 175 A 8 LYS H A 7 THR HG2% 1.0 0.0 5.00 176 176 A 18 ARG H A 18 ARG HBy 1.0 0.0 3.81 177 177 A 18 ARG H A 18 ARG HBx 1.0 0.0 4.30 178 178 A 8 LYS H A 8 LYS HBx 1.0 0.0 4.62 179 179 A 17 VAL H A 17 VAL HB 1.0 0.0 3.70 180 180 A 13 LYS H A 13 LYS HBx 1.0 0.0 4.04 181 181 A 13 LYS H A 12 PRO HBy 1.0 0.0 4.32 182 182 A 17 VAL H A 18 ARG H 1.0 0.0 4.22 183 183 A 5 CYS H A 4 GLY H 1.0 0.0 4.34 184 184 A 5 CYS H A 6 TRP H 1.0 0.0 5.00 185 185 A 8 LYS H A 9 SER H 1.0 0.0 4.47 186 186 A 6 TRP HE1 A 6 TRP HZ2 1.0 0.0 4.32 187 187 A 17 VAL H A 16 PHE H 1.0 0.0 4.53 188 188 A 13 LYS H A 13 LYS HBy 1.0 0.0 3.53 189 189 A 13 LYS H A 7 THR HG2% 1.0 0.0 5.00 190 190 A 13 LYS H A 13 LYS HGy 1.0 0.0 5.00 191 191 A 2 VAL HGx% A 2 VAL H 1.0 0.0 4.73 192 192 A 6 TRP HZ3 A 13 LYS HBy 1.0 0.0 5.00 193 193 A 15 CYS H A 7 THR HG2% 1.0 0.0 5.00 194 194 A 5 CYS SG A 15 CYS SG 1.0 0.0 2.00 195 195 A 5 CYS SG A 15 CYS CB 1.0 0.0 3.10 196 196 A 15 CYS SG A 5 CYS CB 1.0 0.0 3.10 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 3 ARG C A 4 GLY N A 4 GLY CA A 4 GLY C 1.0 -175.4 -57.0 PHI 2 2 A 4 GLY N A 4 GLY CA A 4 GLY C A 5 CYS N 1.0 80.8 198.8 PSI 3 3 A 4 GLY C A 5 CYS N A 5 CYS CA A 5 CYS C 1.0 -153.1 -111.3 PHI 4 4 A 5 CYS N A 5 CYS CA A 5 CYS C A 6 TRP N 1.0 120.0 187.2 PSI 5 5 A 5 CYS C A 6 TRP N A 6 TRP CA A 6 TRP C 1.0 -150.3 -90.5 PHI 6 6 A 6 TRP N A 6 TRP CA A 6 TRP C A 7 THR N 1.0 104.5 157.5 PSI 7 7 A 6 TRP C A 7 THR N A 7 THR CA A 7 THR C 1.0 -95.2 -25.0 PHI 8 8 A 7 THR N A 7 THR CA A 7 THR C A 8 LYS N 1.0 99.3 147.1 PSI 9 9 A 7 THR C A 8 LYS N A 8 LYS CA A 8 LYS C 1.0 -141.6 -61.4 PHI 10 10 A 8 LYS N A 8 LYS CA A 8 LYS C A 9 SER N 1.0 105.2 169.2 PSI 11 11 A 8 LYS C A 9 SER N A 9 SER CA A 9 SER C 1.0 -160.0 -80.0 PHI 12 12 A 9 SER C A 10 TYR N A 10 TYR CA A 10 TYR C 1.0 -150.0 -90.0 PHI 13 13 A 12 PRO C A 13 LYS N A 13 LYS CA A 13 LYS C 1.0 -150.0 -90.0 PHI 14 14 A 14 PRO C A 15 CYS N A 15 CYS CA A 15 CYS C 1.0 -95.0 -25.0 PHI 15 15 A 15 CYS C A 16 PHE N A 16 PHE CA A 16 PHE C 1.0 -150.0 -90.0 PHI stop_ save_