data_nef_c30405_6ceg 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 6CEG 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 1 CYS SG 1 16 CYS SG 1 8 CYS SG 1 19 CYS SG 1 15 CYS SG 1 26 CYS SG 1 3 PRO C 1 4 HYP N 1 4 HYP C 1 5 GLY N 1 9 SER C 1 10 HYP N 1 10 HYP C 1 11 SER 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 CYS start -HG . 2 A 2 LYS middle . . 3 A 3 PRO middle -OXT false 4 A 4 HYP middle -H,-OXT . 5 A 5 GLY middle -H2 false 6 A 6 SER middle . . 7 A 7 LYS middle . . 8 A 8 CYS middle -HG . 9 A 9 SER middle -OXT . 10 A 10 HYP middle -H,-OXT . 11 A 11 SER middle -H2 . 12 A 12 MET middle . . 13 A 13 ARG middle . . 14 A 14 ASP middle . . 15 A 15 CYS middle -HG . 16 A 16 CYS middle -HG . 17 A 17 THR middle . . 18 A 18 THR middle . . 19 A 19 CYS middle -HG . 20 A 20 ILE middle . . 21 A 21 SER middle . . 22 A 22 TYR middle . . 23 A 23 THR middle . . 24 A 24 LYS middle . . 25 A 25 ARG middle . . 26 A 26 CYS middle -HG . 27 A 27 ARG middle . . 28 A 28 LYS middle . . 29 A 29 TYR middle . . 30 A 30 TYR 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 CYS HA H 1 4.500 0.000 A 1 CYS HBy H 1 3.181 0.001 A 1 CYS HBx H 1 2.984 0.001 A 2 LYS H H 1 9.382 0.000 A 2 LYS HA H 1 4.649 0.000 A 2 LYS HBy H 1 1.835 0.001 A 2 LYS HBx H 1 1.764 0.001 A 2 LYS HGy H 1 1.490 0.001 A 2 LYS HGx H 1 1.377 0.001 A 3 PRO HA H 1 4.677 0.000 A 3 PRO HBy H 1 2.419 0.001 A 3 PRO HBx H 1 1.989 0.001 A 3 PRO HDy H 1 3.983 0.001 A 3 PRO HDx H 1 3.730 0.001 A 3 PRO HGy H 1 2.163 0.001 A 3 PRO HGx H 1 1.900 0.000 A 4 HYP HA H 1 3.922 0.001 A 4 HYP HBx H 1 1.970 0.001 A 4 HYP HBy H 1 1.970 0.001 A 4 HYP HD2x H 1 3.670 0.001 A 4 HYP HD2y H 1 3.670 0.001 A 4 HYP HG H 1 4.360 0.000 A 5 GLY H H 1 8.856 0.000 A 5 GLY HAx H 1 3.581 0.000 A 5 GLY HAy H 1 4.436 0.000 A 6 SER H H 1 7.462 0.000 A 6 SER HA H 1 4.366 0.000 A 6 SER HBy H 1 3.835 0.001 A 6 SER HBx H 1 3.693 0.001 A 7 LYS H H 1 8.634 0.001 A 7 LYS HA H 1 4.741 0.000 A 7 LYS HBy H 1 1.806 0.001 A 7 LYS HBx H 1 1.715 0.001 A 7 LYS HGy H 1 1.599 0.000 A 7 LYS HGx H 1 1.442 0.001 A 8 CYS H H 1 8.352 0.000 A 8 CYS HA H 1 5.045 0.000 A 8 CYS HBy H 1 3.244 0.001 A 8 CYS HBx H 1 2.706 0.001 A 9 SER H H 1 8.915 0.001 A 9 SER HA H 1 4.993 0.000 A 9 SER HBy H 1 3.788 0.001 A 9 SER HBx H 1 3.705 0.001 A 10 HYP HA H 1 4.337 0.000 A 10 HYP HBy H 1 2.343 0.000 A 10 HYP HBx H 1 2.204 0.000 A 10 HYP HD2y H 1 4.132 0.000 A 10 HYP HD2x H 1 3.659 0.000 A 10 HYP HG H 1 4.557 0.000 A 11 SER H H 1 8.256 0.000 A 11 SER HA H 1 4.211 0.000 A 11 SER HBx H 1 3.886 0.001 A 11 SER HBy H 1 3.886 0.001 A 12 MET H H 1 7.473 0.001 A 12 MET HA H 1 4.419 0.000 A 12 MET HBx H 1 2.069 0.001 A 12 MET HBy H 1 2.069 0.001 A 12 MET HE% H 1 2.088 0.000 A 12 MET HGy H 1 2.605 0.001 A 12 MET HGx H 1 2.463 0.001 A 13 ARG H H 1 7.872 0.001 A 13 ARG HA H 1 4.211 0.000 A 13 ARG HBy H 1 2.031 0.001 A 13 ARG HBx H 1 1.782 0.001 A 13 ARG HDx H 1 3.217 0.001 A 13 ARG HDy H 1 3.217 0.001 A 13 ARG HE H 1 7.160 0.000 A 13 ARG HGx H 1 1.615 0.001 A 13 ARG HGy H 1 1.615 0.001 A 14 ASP H H 1 8.231 0.001 A 14 ASP HA H 1 4.695 0.000 A 14 ASP HBy H 1 2.990 0.001 A 14 ASP HBx H 1 2.403 0.001 A 15 CYS H H 1 8.293 0.001 A 15 CYS HA H 1 4.647 0.000 A 15 CYS HBy H 1 2.840 0.002 A 15 CYS HBx H 1 2.404 0.003 A 16 CYS H H 1 9.057 0.001 A 16 CYS HA H 1 4.568 0.000 A 16 CYS HBy H 1 3.309 0.001 A 16 CYS HBx H 1 2.926 0.004 A 17 THR H H 1 8.325 0.001 A 17 THR HA H 1 4.324 0.007 A 17 THR HB H 1 4.138 0.001 A 17 THR HG2% H 1 0.818 0.001 A 18 THR H H 1 9.155 0.000 A 18 THR HA H 1 4.340 0.000 A 18 THR HB H 1 4.062 0.001 A 18 THR HG2% H 1 1.015 0.000 A 19 CYS H H 1 8.248 0.000 A 19 CYS HA H 1 4.659 0.000 A 19 CYS HBy H 1 3.152 0.001 A 19 CYS HBx H 1 2.804 0.001 A 20 ILE H H 1 8.180 0.000 A 20 ILE HA H 1 4.084 0.000 A 20 ILE HB H 1 2.328 0.001 A 20 ILE HD1% H 1 0.802 0.001 A 20 ILE HG1y H 1 1.606 0.001 A 20 ILE HG1x H 1 1.232 0.001 A 20 ILE HG2% H 1 0.893 0.001 A 21 SER H H 1 8.802 0.000 A 21 SER HA H 1 4.011 0.000 A 21 SER HBx H 1 3.903 0.001 A 21 SER HBy H 1 3.903 0.001 A 22 TYR H H 1 7.671 0.005 A 22 TYR HA H 1 4.437 0.000 A 22 TYR HBy H 1 3.206 0.001 A 22 TYR HBx H 1 2.995 0.001 A 22 TYR HDx H 1 7.134 0.001 A 22 TYR HDy H 1 7.134 0.001 A 22 TYR HEx H 1 6.867 0.001 A 22 TYR HEy H 1 6.867 0.001 A 23 THR H H 1 6.809 0.001 A 23 THR HA H 1 4.285 0.000 A 23 THR HB H 1 4.183 0.001 A 23 THR HG2% H 1 1.120 0.001 A 24 LYS H H 1 8.589 0.001 A 24 LYS HA H 1 3.678 0.000 A 24 LYS HBy H 1 2.423 0.001 A 24 LYS HBx H 1 2.056 0.001 A 24 LYS HGy H 1 1.465 0.001 A 24 LYS HGx H 1 1.409 0.001 A 25 ARG H H 1 7.167 0.001 A 25 ARG HA H 1 5.368 0.001 A 25 ARG HBy H 1 1.483 0.001 A 25 ARG HBx H 1 1.227 0.001 A 25 ARG HDy H 1 3.122 0.000 A 25 ARG HDx H 1 2.991 0.000 A 25 ARG HGy H 1 1.573 0.001 A 25 ARG HGx H 1 1.467 0.001 A 26 CYS H H 1 8.583 0.001 A 26 CYS HA H 1 4.963 0.000 A 26 CYS HBy H 1 3.505 0.001 A 26 CYS HBx H 1 2.601 0.001 A 27 ARG H H 1 8.919 0.000 A 27 ARG HA H 1 4.074 0.000 A 27 ARG HBy H 1 1.768 0.000 A 27 ARG HBx H 1 1.661 0.000 A 27 ARG HDy H 1 3.089 0.000 A 27 ARG HDx H 1 2.987 0.000 A 27 ARG HE H 1 7.038 0.000 A 27 ARG HGy H 1 1.781 0.000 A 27 ARG HGx H 1 1.654 0.000 A 28 LYS H H 1 8.937 0.000 A 28 LYS HA H 1 4.183 0.000 A 28 LYS HBy H 1 1.813 0.000 A 28 LYS HBx H 1 1.718 0.000 A 28 LYS HGx H 1 1.306 0.000 A 28 LYS HGy H 1 1.306 0.000 A 29 TYR H H 1 8.433 0.000 A 29 TYR HA H 1 4.309 0.000 A 29 TYR HBy H 1 3.055 0.001 A 29 TYR HBx H 1 2.705 0.001 A 29 TYR HDx H 1 7.145 0.001 A 29 TYR HDy H 1 7.145 0.001 A 29 TYR HEx H 1 6.715 0.001 A 29 TYR HEy H 1 6.715 0.001 A 30 TYR H H 1 7.781 0.001 A 30 TYR HA H 1 4.322 0.000 A 30 TYR HBy H 1 3.115 0.001 A 30 TYR HBx H 1 2.872 0.001 A 30 TYR HDx H 1 7.130 0.000 A 30 TYR HDy H 1 7.130 0.000 A 30 TYR HEx H 1 6.777 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 15 CYS H A 15 CYS HBx 1.0 0.0 3.70 2 2 A 15 CYS H A 15 CYS HBy 1.0 0.0 2.68 3 3 A 15 CYS H A 14 ASP HBy 1.0 0.0 4.32 4 4 A 15 CYS H A 14 ASP HA 1.0 0.0 3.17 5 5 A 15 CYS HBx A 16 CYS H 1.0 0.0 3.14 6 6 A 15 CYS HBy A 16 CYS H 1.0 0.0 3.79 7 7 A 14 ASP HBy A 14 ASP H 1.0 0.0 3.67 8 8 A 14 ASP H A 14 ASP HBx 1.0 0.0 3.08 9 9 A 16 CYS H A 15 CYS HA 1.0 0.0 2.46 10 10 A 20 ILE H A 20 ILE HB 1.0 0.0 2.74 11 11 A 20 ILE HA A 21 SER H 1.0 0.0 2.52 12 12 A 21 SER H A 21 SER HBx 1.0 0.0 3.90 13 12 A 21 SER H A 21 SER HBy 1.0 0.0 3.90 14 13 A 21 SER H A 22 TYR H 1.0 0.0 3.98 15 14 A 22 TYR H A 21 SER HBx 1.0 0.0 4.71 16 14 A 21 SER HBy A 22 TYR H 1.0 0.0 4.71 17 15 A 22 TYR H A 22 TYR HBy 1.0 0.0 2.96 18 16 A 22 TYR H A 22 TYR HBx 1.0 0.0 3.05 19 17 A 18 THR H A 18 THR HB 1.0 0.0 3.42 20 18 A 30 TYR H A 30 TYR HA 1.0 0.0 2.80 21 19 A 30 TYR H A 30 TYR HBx 1.0 0.0 3.70 22 20 A 30 TYR H A 30 TYR HBy 1.0 0.0 2.87 23 21 A 29 TYR H A 29 TYR HBx 1.0 0.0 3.55 24 22 A 29 TYR H A 29 TYR HBy 1.0 0.0 2.59 25 23 A 30 TYR H A 29 TYR HBy 1.0 0.0 3.27 26 24 A 30 TYR H A 29 TYR HBx 1.0 0.0 3.08 27 25 A 8 CYS H A 8 CYS HBy 1.0 0.0 3.73 28 26 A 8 CYS H A 8 CYS HBx 1.0 0.0 3.42 29 27 A 8 CYS HBx A 9 SER H 1.0 0.0 3.33 30 28 A 8 CYS HBy A 9 SER H 1.0 0.0 2.90 31 29 A 9 SER H A 8 CYS HA 1.0 0.0 2.62 32 30 A 9 SER H A 9 SER HBy 1.0 0.0 3.24 33 31 A 9 SER H A 9 SER HBx 1.0 0.0 3.24 34 32 A 12 MET H A 12 MET HBx 1.0 0.0 3.84 35 32 A 12 MET H A 12 MET HBy 1.0 0.0 3.84 36 33 A 6 SER H A 6 SER HBy 1.0 0.0 3.24 37 34 A 6 SER H A 6 SER HBx 1.0 0.0 2.77 38 35 A 12 MET HA A 13 ARG H 1.0 0.0 3.27 39 36 A 13 ARG H A 13 ARG HA 1.0 0.0 2.56 40 37 A 12 MET H A 13 ARG H 1.0 0.0 3.02 41 38 A 13 ARG H A 13 ARG HBy 1.0 0.0 3.64 42 39 A 13 ARG H A 13 ARG HBx 1.0 0.0 3.24 43 40 A 13 ARG H A 12 MET HBx 1.0 0.0 4.46 44 40 A 12 MET HBy A 13 ARG H 1.0 0.0 4.46 45 41 A 14 ASP H A 13 ARG H 1.0 0.0 3.27 46 42 A 14 ASP H A 13 ARG HA 1.0 0.0 2.87 47 43 A 14 ASP H A 13 ARG HBy 1.0 0.0 4.54 48 44 A 14 ASP H A 12 MET HBx 1.0 0.0 4.55 49 44 A 14 ASP H A 12 MET HBy 1.0 0.0 4.55 50 45 A 14 ASP H A 13 ARG HBx 1.0 0.0 4.60 51 46 A 16 CYS H A 17 THR H 1.0 0.0 3.05 52 47 A 15 CYS H A 16 CYS H 1.0 0.0 4.91 53 48 A 27 ARG HA A 28 LYS H 1.0 0.0 2.90 54 49 A 29 TYR H A 28 LYS HA 1.0 0.0 2.40 55 50 A 28 LYS H A 28 LYS HBy 1.0 0.0 3.61 56 51 A 29 TYR H A 28 LYS HBy 1.0 0.0 3.02 57 52 A 29 TYR H A 28 LYS HBx 1.0 0.0 3.02 58 53 A 8 CYS H A 7 LYS HA 1.0 0.0 2.71 59 54 A 26 CYS HA A 27 ARG H 1.0 0.0 2.52 60 55 A 25 ARG HA A 26 CYS H 1.0 0.0 2.40 61 56 A 25 ARG H A 25 ARG HBx 1.0 0.0 3.98 62 57 A 25 ARG H A 25 ARG HBy 1.0 0.0 3.08 63 58 A 26 CYS H A 25 ARG HBx 1.0 0.0 2.87 64 59 A 26 CYS H A 25 ARG HBy 1.0 0.0 3.45 65 60 A 26 CYS H A 26 CYS HBx 1.0 0.0 3.79 66 61 A 26 CYS H A 26 CYS HBy 1.0 0.0 2.74 67 62 A 27 ARG H A 26 CYS HBy 1.0 0.0 4.11 68 63 A 27 ARG H A 26 CYS HBx 1.0 0.0 3.33 69 64 A 27 ARG H A 26 CYS H 1.0 0.0 4.48 70 65 A 27 ARG HA A 27 ARG H 1.0 0.0 2.90 71 66 A 27 ARG H A 27 ARG HBx 1.0 0.0 3.05 72 67 A 27 ARG H A 19 CYS HA 1.0 0.0 3.42 73 68 A 15 CYS HBy A 18 THR H 1.0 0.0 3.58 74 69 A 15 CYS HBx A 18 THR H 1.0 0.0 3.36 75 70 A 19 CYS H A 19 CYS HBx 1.0 0.0 3.08 76 71 A 20 ILE H A 19 CYS HBx 1.0 0.0 4.66 77 72 A 19 CYS H A 19 CYS HBy 1.0 0.0 3.14 78 73 A 20 ILE H A 19 CYS HBy 1.0 0.0 4.20 79 74 A 19 CYS H A 18 THR HA 1.0 0.0 2.90 80 75 A 18 THR HB A 19 CYS H 1.0 0.0 3.86 81 76 A 15 CYS HBx A 17 THR H 1.0 0.0 2.68 82 77 A 2 LYS H A 2 LYS HA 1.0 0.0 2.93 83 78 A 2 LYS H A 1 CYS HA 1.0 0.0 2.56 84 79 A 2 LYS H A 1 CYS HBx 1.0 0.0 3.55 85 80 A 2 LYS H A 1 CYS HBy 1.0 0.0 2.80 86 81 A 6 SER HA A 7 LYS H 1.0 0.0 2.40 87 82 A 6 SER HBy A 7 LYS H 1.0 0.0 2.93 88 83 A 6 SER HBx A 7 LYS H 1.0 0.0 3.24 89 84 A 6 SER H A 7 LYS H 1.0 0.0 4.88 90 85 A 6 SER H A 26 CYS H 1.0 0.0 3.55 91 86 A 5 GLY H A 5 GLY HAx 1.0 0.0 2.56 92 87 A 6 SER H A 5 GLY HAx 1.0 0.0 3.39 93 88 A 6 SER H A 5 GLY H 1.0 0.0 3.02 94 89 A 2 LYS H A 2 LYS HBx 1.0 0.0 3.98 95 90 A 2 LYS H A 2 LYS HBy 1.0 0.0 2.62 96 91 A 28 LYS H A 28 LYS HBx 1.0 0.0 3.61 97 92 A 20 ILE H A 19 CYS HA 1.0 0.0 2.49 98 93 A 16 CYS H A 16 CYS HBx 1.0 0.0 3.67 99 94 A 16 CYS H A 16 CYS HBy 1.0 0.0 2.87 100 95 A 17 THR H A 17 THR HB 1.0 0.0 3.79 101 96 A 18 THR H A 17 THR HB 1.0 0.0 2.46 102 97 A 18 THR H A 26 CYS HA 1.0 0.0 4.38 103 98 A 17 THR H A 16 CYS HBy 1.0 0.0 3.02 104 99 A 17 THR H A 16 CYS HBx 1.0 0.0 3.73 105 100 A 15 CYS HBy A 17 THR H 1.0 0.0 3.02 106 101 A 8 CYS H A 24 LYS HA 1.0 0.0 4.17 107 102 A 8 CYS H A 25 ARG HA 1.0 0.0 3.02 108 103 A 18 THR H A 17 THR H 1.0 0.0 3.39 109 104 A 25 ARG H A 24 LYS HA 1.0 0.0 2.80 110 105 A 20 ILE HB A 23 THR H 1.0 0.0 3.70 111 106 A 25 ARG H A 24 LYS HBy 1.0 0.0 4.48 112 107 A 24 LYS HA A 24 LYS H 1.0 0.0 2.43 113 108 A 24 LYS H A 23 THR HB 1.0 0.0 4.45 114 109 A 23 THR H A 23 THR HB 1.0 0.0 3.79 115 110 A 24 LYS HBy A 24 LYS H 1.0 0.0 3.98 116 111 A 24 LYS H A 24 LYS HBx 1.0 0.0 3.95 117 112 A 5 GLY H A 4 HYP HA 1.0 0.0 2.40 118 113 A 18 THR H A 27 ARG H 1.0 0.0 3.11 119 114 A 16 CYS H A 2 LYS H 1.0 0.0 3.39 120 115 A 9 SER H A 12 MET HBx 1.0 0.0 5.02 121 115 A 9 SER H A 12 MET HBy 1.0 0.0 5.02 122 116 A 27 ARG H A 18 THR HA 1.0 0.0 5.19 123 117 A 6 SER H A 4 HYP HA 1.0 0.0 3.52 124 118 A 6 SER H A 2 LYS HBx 1.0 0.0 4.51 125 119 A 6 SER H A 5 GLY HAy 1.0 0.0 3.14 126 120 A 6 SER H A 25 ARG HA 1.0 0.0 5.38 127 121 A 22 TYR HBx A 23 THR H 1.0 0.0 3.24 128 122 A 22 TYR HBy A 23 THR H 1.0 0.0 3.42 129 123 A 20 ILE H A 26 CYS HA 1.0 0.0 3.58 130 124 A 30 TYR H A 28 LYS HBx 1.0 0.0 4.38 131 125 A 30 TYR H A 28 LYS HBy 1.0 0.0 4.38 132 126 A 26 CYS H A 5 GLY H 1.0 0.0 3.45 133 127 A 22 TYR H A 23 THR H 1.0 0.0 3.33 134 128 A 23 THR H A 24 LYS H 1.0 0.0 2.40 135 129 A 24 LYS H A 21 SER HA 1.0 0.0 3.98 136 130 A 24 LYS H A 21 SER HBx 1.0 0.0 6.38 137 130 A 21 SER HBy A 24 LYS H 1.0 0.0 6.38 138 131 A 26 CYS H A 5 GLY HAx 1.0 0.0 4.17 139 132 A 25 ARG H A 24 LYS H 1.0 0.0 2.80 140 133 A 25 ARG H A 24 LYS HBx 1.0 0.0 5.13 141 134 A 20 ILE HB A 24 LYS H 1.0 0.0 3.92 142 135 A 24 LYS HA A 23 THR H 1.0 0.0 4.51 143 136 A 15 CYS HA A 17 THR H 1.0 0.0 4.66 144 137 A 12 MET H A 11 SER HBx 1.0 0.0 5.89 145 137 A 12 MET H A 11 SER HBy 1.0 0.0 5.89 146 138 A 30 TYR H A 29 TYR H 1.0 0.0 3.45 147 139 A 27 ARG H A 27 ARG HBy 1.0 0.0 2.99 148 140 A 28 LYS H A 27 ARG HBx 1.0 0.0 4.29 149 141 A 28 LYS H A 27 ARG HBy 1.0 0.0 4.14 150 142 A 20 ILE H A 27 ARG H 1.0 0.0 3.70 151 143 A 26 CYS H A 19 CYS HA 1.0 0.0 4.60 152 144 A 26 CYS H A 5 GLY HAy 1.0 0.0 4.48 153 145 A 26 CYS H A 6 SER HA 1.0 0.0 4.54 154 146 A 20 ILE H A 25 ARG H 1.0 0.0 3.61 155 147 A 26 CYS H A 4 HYP HA 1.0 0.0 4.35 156 148 A 25 ARG HA A 5 GLY H 1.0 0.0 5.50 157 149 A 20 ILE H A 20 ILE HG1y 1.0 0.0 3.08 158 150 A 20 ILE H A 20 ILE HG1x 1.0 0.0 3.92 159 151 A 29 TYR HBy A 30 TYR HD% 1.0 0.0 7.26 160 152 A 29 TYR HBx A 30 TYR HE% 1.0 0.0 7.63 161 153 A 29 TYR HA A 29 TYR HD% 1.0 0.0 5.55 162 154 A 17 THR HA A 29 TYR HE% 1.0 0.0 7.63 163 155 A 22 TYR HA A 22 TYR HD% 1.0 0.0 5.89 164 156 A 12 MET H A 12 MET HGy 1.0 0.0 4.29 165 157 A 12 MET H A 12 MET HGx 1.0 0.0 3.76 166 158 A 13 ARG H A 13 ARG HGx 1.0 0.0 4.68 167 158 A 13 ARG H A 13 ARG HGy 1.0 0.0 4.68 168 159 A 13 ARG HBy A 13 ARG HE 1.0 0.0 5.50 169 160 A 13 ARG HBx A 13 ARG HE 1.0 0.0 5.50 170 161 A 14 ASP H A 13 ARG HGx 1.0 0.0 6.38 171 161 A 14 ASP H A 13 ARG HGy 1.0 0.0 6.38 172 162 A 28 LYS H A 20 ILE HG1y 1.0 0.0 5.50 173 163 A 29 TYR H A 28 LYS HGx 1.0 0.0 5.48 174 163 A 29 TYR H A 28 LYS HGy 1.0 0.0 5.48 175 164 A 7 LYS H A 7 LYS HDx 1.0 0.0 6.38 176 164 A 7 LYS H A 7 LYS HDy 1.0 0.0 6.38 177 165 A 8 CYS H A 24 LYS HBx 1.0 0.0 5.04 178 166 A 8 CYS H A 24 LYS HBy 1.0 0.0 3.79 179 167 A 25 ARG H A 25 ARG HGy 1.0 0.0 4.11 180 168 A 24 LYS H A 25 ARG HGy 1.0 0.0 5.50 181 169 A 26 CYS H A 25 ARG HDy 1.0 0.0 4.79 182 170 A 26 CYS H A 25 ARG HDx 1.0 0.0 4.63 183 171 A 27 ARG HBx A 27 ARG HE 1.0 0.0 5.50 184 172 A 27 ARG H A 27 ARG HGy 1.0 0.0 5.07 185 173 A 27 ARG H A 27 ARG HDy 1.0 0.0 5.50 186 174 A 27 ARG H A 27 ARG HDx 1.0 0.0 5.50 187 175 A 27 ARG H A 17 THR HB 1.0 0.0 4.72 188 176 A 27 ARG HA A 17 THR HG1 1.0 0.0 5.50 189 177 A 17 THR HB A 17 THR HG1 1.0 0.0 2.68 190 178 A 4 HYP HA A 17 THR HG1 1.0 0.0 5.50 191 179 A 26 CYS HA A 17 THR HG1 1.0 0.0 5.50 192 180 A 26 CYS HBy A 17 THR HG1 1.0 0.0 5.50 193 181 A 15 CYS HBx A 17 THR HG1 1.0 0.0 5.50 194 182 A 27 ARG HDy A 17 THR HG1 1.0 0.0 5.50 195 183 A 26 CYS HBx A 17 THR HG1 1.0 0.0 4.48 196 184 A 15 CYS HBx A 27 ARG H 1.0 0.0 5.50 197 185 A 27 ARG H A 20 ILE HG1x 1.0 0.0 4.63 198 186 A 18 THR H A 27 ARG HBx 1.0 0.0 3.21 199 187 A 18 THR H A 27 ARG HBy 1.0 0.0 3.58 200 188 A 16 CYS H A 2 LYS HBy 1.0 0.0 4.26 201 189 A 16 CYS H A 2 LYS HBx 1.0 0.0 5.50 202 190 A 18 THR H A 27 ARG HDy 1.0 0.0 5.50 203 191 A 18 THR H A 26 CYS HBx 1.0 0.0 5.50 204 192 A 18 THR H A 27 ARG HDx 1.0 0.0 5.50 205 193 A 27 ARG H A 17 THR HG1 1.0 0.0 3.67 206 194 A 17 THR H A 26 CYS HBx 1.0 0.0 5.41 207 195 A 7 LYS H A 25 ARG HDy 1.0 0.0 5.50 208 196 A 7 LYS H A 7 LYS HEx 1.0 0.0 6.38 209 196 A 7 LYS H A 7 LYS HEy 1.0 0.0 6.38 210 197 A 6 SER H A 26 CYS HBx 1.0 0.0 4.66 211 198 A 25 ARG HBx A 5 GLY H 1.0 0.0 5.04 212 199 A 2 LYS H A 2 LYS HDx 1.0 0.0 5.98 213 199 A 2 LYS H A 2 LYS HDy 1.0 0.0 5.98 214 200 A 28 LYS H A 28 LYS HGx 1.0 0.0 5.45 215 200 A 28 LYS H A 28 LYS HGy 1.0 0.0 5.45 216 201 A 16 CYS H A 1 CYS HBx 1.0 0.0 4.97 217 202 A 16 CYS H A 1 CYS HBy 1.0 0.0 3.45 218 203 A 17 THR H A 17 THR HG1 1.0 0.0 4.14 219 204 A 18 THR H A 17 THR HG1 1.0 0.0 3.05 220 205 A 27 ARG HBx A 17 THR HG1 1.0 0.0 2.71 221 206 A 27 ARG HBy A 17 THR HG1 1.0 0.0 3.64 222 207 A 8 CYS H A 25 ARG HDy 1.0 0.0 4.51 223 208 A 15 CYS HBy A 27 ARG H 1.0 0.0 5.50 224 209 A 20 ILE HB A 25 ARG H 1.0 0.0 3.27 225 210 A 24 LYS H A 24 LYS HGy 1.0 0.0 5.50 226 211 A 24 LYS H A 24 LYS HGx 1.0 0.0 5.16 227 212 A 26 CYS HBy A 5 GLY H 1.0 0.0 3.11 228 213 A 26 CYS HBx A 5 GLY H 1.0 0.0 4.20 229 214 A 16 CYS H A 26 CYS HBx 1.0 0.0 5.50 230 215 A 6 SER H A 6 SER HG 1.0 0.0 5.50 231 216 A 6 SER H A 26 CYS HBy 1.0 0.0 3.11 232 217 A 16 CYS HBy A 29 TYR HE% 1.0 0.0 7.63 233 218 A 16 CYS HBx A 29 TYR HE% 1.0 0.0 7.39 234 219 A 30 TYR H A 28 LYS HGx 1.0 0.0 6.38 235 219 A 30 TYR H A 28 LYS HGy 1.0 0.0 6.38 236 220 A 22 TYR H A 22 TYR HD% 1.0 0.0 7.63 237 221 A 17 THR HB A 29 TYR HE% 1.0 0.0 7.60 238 222 A 6 SER HBy A 26 CYS H 1.0 0.0 5.47 239 223 A 29 TYR H A 29 TYR HD% 1.0 0.0 6.36 240 224 A 27 ARG H A 27 ARG HGx 1.0 0.0 5.41 241 225 A 8 CYS HBx A 26 CYS H 1.0 0.0 5.22 242 226 A 30 TYR H A 30 TYR HD% 1.0 0.0 7.35 243 227 A 28 LYS HA A 29 TYR HD% 1.0 0.0 7.63 244 228 A 20 ILE H A 20 ILE HG2% 1.0 0.0 5.71 245 229 A 20 ILE H A 20 ILE HD1% 1.0 0.0 5.56 246 230 A 21 SER H A 20 ILE HG2% 1.0 0.0 4.78 247 231 A 21 SER H A 20 ILE HD1% 1.0 0.0 6.52 248 232 A 18 THR H A 18 THR HG2% 1.0 0.0 4.26 249 233 A 27 ARG H A 18 THR HG2% 1.0 0.0 5.43 250 234 A 27 ARG H A 20 ILE HD1% 1.0 0.0 5.19 251 235 A 28 LYS H A 20 ILE HD1% 1.0 0.0 6.52 252 236 A 18 THR H A 17 THR HG2% 1.0 0.0 4.78 253 237 A 16 CYS H A 17 THR HG2% 1.0 0.0 6.52 254 238 A 19 CYS H A 18 THR HG2% 1.0 0.0 6.46 255 239 A 17 THR H A 17 THR HG2% 1.0 0.0 3.91 256 240 A 29 TYR H A 17 THR HG2% 1.0 0.0 5.65 257 241 A 17 THR HG1 A 17 THR HG2% 1.0 0.0 3.42 258 242 A 17 THR HG1 A 18 THR HG2% 1.0 0.0 6.15 259 243 A 17 THR HA A 17 THR HG2% 1.0 0.0 3.42 260 244 A 22 TYR H A 20 ILE HG2% 1.0 0.0 3.95 261 245 A 24 LYS H A 20 ILE HG2% 1.0 0.0 5.34 262 246 A 24 LYS H A 23 THR HG2% 1.0 0.0 6.02 263 247 A 25 ARG H A 23 THR HG2% 1.0 0.0 6.52 264 248 A 22 TYR HD% A 23 THR HG2% 1.0 0.0 6.45 265 249 A 23 THR HG2% A 22 TYR HE% 1.0 0.0 7.75 266 250 A 29 TYR HD% A 17 THR HG2% 1.0 0.0 6.45 267 251 A 29 TYR HE% A 17 THR HG2% 1.0 0.0 6.89 268 252 A 23 THR H A 20 ILE HG2% 1.0 0.0 3.60 269 253 A 20 ILE HG2% A 22 TYR HE% 1.0 0.0 8.13 270 254 A 23 THR H A 23 THR HG2% 1.0 0.0 3.95 271 255 A 22 TYR HD% A 20 ILE HG2% 1.0 0.0 7.41 272 256 A 30 TYR H A 17 THR HG2% 1.0 0.0 6.05 273 257 A 25 ARG H A 20 ILE HG2% 1.0 0.0 6.52 274 258 A 6 SER HBy A 6 SER HA 1.0 0.0 3.02 275 259 A 29 TYR HBx A 29 TYR HA 1.0 0.0 2.99 276 260 A 7 LYS HA A 25 ARG HA 1.0 0.0 3.21 277 261 A 24 LYS HA A 24 LYS HBy 1.0 0.0 2.96 278 262 A 15 CYS HBy A 18 THR HA 1.0 0.0 3.64 279 263 A 30 TYR HA A 30 TYR HD% 1.0 0.0 7.16 280 264 A 20 ILE HA A 20 ILE HG1y 1.0 0.0 4.04 281 265 A 2 LYS HA A 3 PRO HDy 1.0 0.0 2.62 282 266 A 2 LYS HA A 3 PRO HDx 1.0 0.0 2.87 283 267 A 25 ARG HA A 25 ARG HDy 1.0 0.0 3.86 284 268 A 25 ARG HA A 25 ARG HGx 1.0 0.0 4.20 285 269 A 20 ILE HG1y A 27 ARG HDy 1.0 0.0 4.20 286 270 A 27 ARG HA A 27 ARG HGx 1.0 0.0 3.98 287 271 A 27 ARG HBx A 27 ARG HDx 1.0 0.0 3.76 288 272 A 27 ARG HBx A 27 ARG HDy 1.0 0.0 3.27 289 273 A 9 SER HA A 10 HYP HD1 1.0 0.0 2.80 290 274 A 2 LYS HA A 2 LYS HDx 1.0 0.0 6.38 291 274 A 2 LYS HA A 2 LYS HDy 1.0 0.0 6.38 292 275 A 24 LYS HA A 24 LYS HGx 1.0 0.0 3.98 293 276 A 25 ARG HA A 25 ARG HDx 1.0 0.0 4.79 294 277 A 15 CYS HA A 2 LYS HBx 1.0 0.0 4.07 295 278 A 26 CYS HBy A 4 HYP HA 1.0 0.0 3.39 296 279 A 6 SER HBy A 2 LYS HDx 1.0 0.0 6.38 297 279 A 6 SER HBy A 2 LYS HDy 1.0 0.0 6.38 298 280 A 6 SER HBx A 2 LYS HDx 1.0 0.0 6.38 299 280 A 6 SER HBx A 2 LYS HDy 1.0 0.0 6.38 300 281 A 15 CYS HBx A 26 CYS HBx 1.0 0.0 4.48 301 282 A 26 CYS HBx A 4 HYP HA 1.0 0.0 4.04 302 283 A 25 ARG HBx A 5 GLY HAx 1.0 0.0 4.54 303 284 A 7 LYS HA A 25 ARG HBy 1.0 0.0 4.91 304 285 A 25 ARG HBx A 5 GLY HAy 1.0 0.0 5.50 305 286 A 6 SER HBy A 2 LYS HBx 1.0 0.0 5.22 306 287 A 2 LYS HBx A 3 PRO HDy 1.0 0.0 5.50 307 288 A 2 LYS HBy A 3 PRO HDx 1.0 0.0 5.50 308 289 A 2 LYS HBx A 3 PRO HDx 1.0 0.0 4.76 309 290 A 6 SER HBy A 2 LYS HBy 1.0 0.0 4.97 310 291 A 15 CYS HA A 2 LYS HBy 1.0 0.0 5.13 311 292 A 2 LYS HBy A 3 PRO HDy 1.0 0.0 5.50 312 293 A 20 ILE HA A 20 ILE HD1% 1.0 0.0 4.32 313 294 A 27 ARG HDy A 18 THR HG2% 1.0 0.0 5.65 314 295 A 27 ARG HDx A 18 THR HG2% 1.0 0.0 6.05 315 296 A 27 ARG HDy A 20 ILE HD1% 1.0 0.0 5.87 316 297 A 27 ARG HDx A 20 ILE HD1% 1.0 0.0 5.90 317 298 A 23 THR HG2% A 23 THR HA 1.0 0.0 4.19 318 299 A 22 TYR HBy A 23 THR HG2% 1.0 0.0 6.43 319 300 A 22 TYR HBx A 23 THR HG2% 1.0 0.0 5.65 320 301 A 20 ILE HB A 23 THR HG2% 1.0 0.0 6.52 321 302 A 25 ARG HDy A 23 THR HG2% 1.0 0.0 6.52 322 303 A 17 THR HB A 18 THR HG2% 1.0 0.0 6.52 323 304 A 22 TYR HBy A 20 ILE HG2% 1.0 0.0 5.93 324 305 A 22 TYR HBx A 20 ILE HG2% 1.0 0.0 5.93 325 306 A 27 ARG HGy A 18 THR HG2% 1.0 0.0 4.81 326 307 A 27 ARG HGx A 18 THR HG2% 1.0 0.0 4.66 327 308 A 20 ILE HD1% A 18 THR HG2% 1.0 0.0 7.54 328 309 A 16 CYS HBy A 17 THR HG2% 1.0 0.0 6.33 329 310 A 29 TYR HBy A 17 THR HG2% 1.0 0.0 6.52 330 311 A 16 CYS HBx A 17 THR HG2% 1.0 0.0 6.52 331 312 A 29 TYR HBx A 17 THR HG2% 1.0 0.0 6.52 332 313 A 20 ILE HG2% A 23 THR HG2% 1.0 0.0 6.58 333 314 A 20 ILE HG2% A 18 THR HG2% 1.0 0.0 7.54 334 315 A 2 LYS H A 2 LYS HGy 1.0 0.0 2.94 335 315 A 2 LYS H A 2 LYS HGx 1.0 0.0 2.94 336 316 A 2 LYS HA A 2 LYS HGy 1.0 0.0 3.71 337 316 A 2 LYS HA A 2 LYS HGx 1.0 0.0 3.71 338 317 A 6 SER HBy A 2 LYS HGy 1.0 0.0 4.94 339 317 A 6 SER HBy A 2 LYS HGx 1.0 0.0 4.94 340 318 A 6 SER HBx A 2 LYS HGy 1.0 0.0 5.08 341 318 A 6 SER HBx A 2 LYS HGx 1.0 0.0 5.08 342 319 A 9 SER H A 9 SER HBx 1.0 0.0 2.74 343 319 A 9 SER H A 9 SER HBy 1.0 0.0 2.74 344 320 A 12 MET H A 9 SER HBx 1.0 0.0 3.56 345 320 A 12 MET H A 9 SER HBy 1.0 0.0 3.56 346 321 A 24 LYS H A 24 LYS HDx 1.0 0.0 3.97 347 321 A 24 LYS H A 24 LYS HDy 1.0 0.0 3.97 348 322 A 24 LYS HA A 24 LYS HDx 1.0 0.0 4.47 349 322 A 24 LYS HA A 24 LYS HDy 1.0 0.0 4.47 350 323 A 28 LYS H A 28 LYS HBy 1.0 0.0 3.12 351 323 A 28 LYS H A 28 LYS HBx 1.0 0.0 3.12 352 324 A 30 TYR H A 28 LYS HBy 1.0 0.0 3.66 353 324 A 30 TYR H A 28 LYS HBx 1.0 0.0 3.66 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _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 6 SER HG A 7 LYS O 1.0 1.8 2.0 2 2 A 7 LYS O A 6 SER OG 1.0 1.8 3.0 3 3 A 17 THR HG1 A 27 ARG O 1.0 1.8 2.0 4 4 A 27 ARG O A 17 THR OG1 1.0 1.8 3.0 5 5 A 27 ARG H A 18 THR O 1.0 1.8 2.0 6 6 A 18 THR O A 27 ARG N 1.0 1.8 3.0 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 CYS N A 1 CYS CA A 1 CYS CB A 1 CYS SG 1.0 30.0 90.0 CHI1 2 2 A 2 LYS N A 2 LYS CA A 2 LYS CB A 2 LYS CG 1.0 -90.0 -30.0 CHI1 3 3 A 6 SER N A 6 SER CA A 6 SER CB A 6 SER OG 1.0 150.0 210.0 CHI1 4 4 A 8 CYS N A 8 CYS CA A 8 CYS CB A 8 CYS SG 1.0 30.0 90.0 CHI1 5 5 A 13 ARG N A 13 ARG CA A 13 ARG CB A 13 ARG CG 1.0 150.0 210.0 CHI1 6 6 A 12 MET C A 13 ARG N A 13 ARG CA A 13 ARG C 1.0 10.0 90.0 PHI 7 7 A 14 ASP N A 14 ASP CA A 14 ASP CB A 14 ASP CG 1.0 30.0 90.0 CHI1 8 8 A 15 CYS N A 15 CYS CA A 15 CYS CB A 15 CYS SG 1.0 -90.0 -30.0 CHI1 9 9 A 16 CYS N A 16 CYS CA A 16 CYS CB A 16 CYS SG 1.0 -90.0 -30.0 CHI1 10 10 A 19 CYS N A 19 CYS CA A 19 CYS CB A 19 CYS SG 1.0 150.0 210.0 CHI1 11 11 A 25 ARG N A 25 ARG CA A 25 ARG CB A 25 ARG CG 1.0 -90.0 -30.0 CHI1 12 12 A 26 CYS N A 26 CYS CA A 26 CYS CB A 26 CYS SG 1.0 -90.0 -30.0 CHI1 13 13 A 27 ARG N A 27 ARG CA A 27 ARG CB A 27 ARG CG 1.0 150.0 210.0 CHI1 14 14 A 29 TYR N A 29 TYR CA A 29 TYR CB A 29 TYR CG 1.0 -90.0 -30.0 CHI1 15 15 A 30 TYR N A 30 TYR CA A 30 TYR CB A 30 TYR CG 1.0 -90.0 -30.0 CHI1 16 16 A 5 GLY C A 6 SER N A 6 SER CA A 6 SER C 1.0 -93.0 -44.4 PHI 17 17 A 6 SER N A 6 SER CA A 6 SER C A 7 LYS N 1.0 102.6 166.6 PSI 18 18 A 7 LYS C A 8 CYS N A 8 CYS CA A 8 CYS C 1.0 -168.6 -80.4 PHI 19 19 A 8 CYS N A 8 CYS CA A 8 CYS C A 9 SER N 1.0 117.9 176.1 PSI 20 20 A 11 SER C A 12 MET N A 12 MET CA A 12 MET C 1.0 -109.3 -35.1 PHI 21 21 A 12 MET N A 12 MET CA A 12 MET C A 13 ARG N 1.0 -59.7 -7.3 PSI 22 22 A 14 ASP C A 15 CYS N A 15 CYS CA A 15 CYS C 1.0 -148.7 -43.9 PHI 23 23 A 19 CYS C A 20 ILE N A 20 ILE CA A 20 ILE C 1.0 -125.7 -52.5 PHI 24 24 A 20 ILE N A 20 ILE CA A 20 ILE C A 21 SER N 1.0 45.2 165.2 PSI 25 25 A 20 ILE C A 21 SER N A 21 SER CA A 21 SER C 1.0 -80.6 -40.6 PHI 26 26 A 21 SER N A 21 SER CA A 21 SER C A 22 TYR N 1.0 -49.7 -1.7 PSI 27 27 A 21 SER C A 22 TYR N A 22 TYR CA A 22 TYR C 1.0 -86.4 -45.6 PHI 28 28 A 22 TYR N A 22 TYR CA A 22 TYR C A 23 THR N 1.0 -55.3 1.3 PSI 29 29 A 22 TYR C A 23 THR N A 23 THR CA A 23 THR C 1.0 -141.6 -29.6 PHI 30 30 A 23 THR N A 23 THR CA A 23 THR C A 24 LYS N 1.0 -66.3 23.7 PSI 31 31 A 24 LYS C A 25 ARG N A 25 ARG CA A 25 ARG C 1.0 -159.9 -64.3 PHI 32 32 A 25 ARG N A 25 ARG CA A 25 ARG C A 26 CYS N 1.0 112.1 198.5 PSI stop_ save_