data_nef_c30507_6ee9 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 6EE9 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 8 CYS SG 1 19 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 X 1 PHE start . . 2 X 2 GLY middle . false 3 X 3 VAL middle . . 4 X 4 ARG middle . . 5 X 5 VAL middle . . 6 X 6 GLY middle . false 7 X 7 THR middle . . 8 X 8 CYS middle -HG . 9 X 9 PRO middle . false 10 X 10 SER middle . . 11 X 11 GLY middle . false 12 X 12 TYR middle . . 13 X 13 VAL middle . . 14 X 14 ARG middle . . 15 X 15 ARG middle . . 16 X 16 GLY middle . false 17 X 17 THR middle . . 18 X 18 PHE middle . . 19 X 19 CYS middle -HG . 20 X 20 PHE middle . . 21 X 21 PRO middle . false 22 X 22 ASP middle . . 23 X 23 ASP middle . . 24 X 24 ASP middle . . 25 X 25 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 X 1 PHE HA H 1 4.23 0.008 X 1 PHE HBx H 1 3.10 0.000 X 1 PHE HBy H 1 3.18 0.000 X 2 GLY H H 1 8.47 0.029 X 2 GLY HAx H 1 3.85 0.029 X 2 GLY HAy H 1 3.88 0.015 X 3 VAL H H 1 8.09 0.017 X 3 VAL HA H 1 4.04 0.005 X 3 VAL HB H 1 1.93 0.020 X 3 VAL HGx% H 1 0.81 0.005 X 3 VAL HGy% H 1 0.81 0.005 X 4 ARG H H 1 8.43 0.002 X 4 ARG HA H 1 4.31 0.006 X 4 ARG HBx H 1 1.63 0.004 X 4 ARG HBy H 1 1.71 0.004 X 4 ARG HDx H 1 3.07 0.005 X 4 ARG HDy H 1 3.07 0.005 X 4 ARG HE H 1 7.06 0.011 X 4 ARG HGx H 1 1.48 0.001 X 4 ARG HGy H 1 1.53 0.002 X 5 VAL H H 1 8.20 0.017 X 5 VAL HA H 1 4.03 0.005 X 5 VAL HB H 1 1.97 0.022 X 5 VAL HGx% H 1 0.85 0.002 X 5 VAL HGy% H 1 0.85 0.002 X 6 GLY H H 1 8.46 0.018 X 6 GLY HAx H 1 3.87 0.020 X 6 GLY HAy H 1 3.87 0.020 X 7 THR H H 1 7.94 0.014 X 7 THR HA H 1 4.30 0.005 X 7 THR HB H 1 4.09 0.006 X 7 THR HG2% H 1 1.11 0.018 X 8 CYS H H 1 8.56 0.016 X 8 CYS HA H 1 4.98 0.005 X 8 CYS HBx H 1 2.53 0.018 X 8 CYS HBy H 1 2.80 0.006 X 9 PRO HA H 1 4.39 0.005 X 9 PRO HBx H 1 2.15 0.006 X 9 PRO HBy H 1 2.80 0.005 X 9 PRO HDx H 1 3.65 0.005 X 9 PRO HDy H 1 3.65 0.005 X 9 PRO HGx H 1 1.31 0.001 X 9 PRO HGy H 1 1.59 0.005 X 10 SER H H 1 8.36 0.020 X 10 SER HA H 1 4.21 0.021 X 10 SER HBx H 1 3.81 0.020 X 10 SER HBy H 1 3.81 0.020 X 11 GLY H H 1 8.88 0.021 X 11 GLY HAy H 1 4.20 0.022 X 11 GLY HAx H 1 3.59 0.018 X 12 TYR H H 1 8.14 0.015 X 12 TYR HA H 1 5.09 0.008 X 12 TYR HBx H 1 2.42 0.003 X 12 TYR HBy H 1 3.21 0.017 X 12 TYR HDx H 1 6.70 0.004 X 12 TYR HDy H 1 6.70 0.004 X 12 TYR HEx H 1 6.65 0.005 X 12 TYR HEy H 1 6.65 0.005 X 13 VAL H H 1 9.61 0.014 X 13 VAL HA H 1 4.49 0.007 X 13 VAL HB H 1 1.98 0.004 X 13 VAL HGx% H 1 0.86 0.015 X 13 VAL HGy% H 1 0.86 0.015 X 14 ARG H H 1 8.59 0.021 X 14 ARG HA H 1 4.84 0.003 X 14 ARG HBx H 1 1.68 0.020 X 14 ARG HBy H 1 1.83 0.015 X 14 ARG HDx H 1 3.01 0.017 X 14 ARG HDy H 1 3.01 0.017 X 14 ARG HE H 1 7.04 0.020 X 14 ARG HGx H 1 1.40 0.003 X 14 ARG HGy H 1 1.52 0.006 X 15 ARG H H 1 8.90 0.013 X 15 ARG HA H 1 4.57 0.006 X 15 ARG HBx H 1 1.78 0.019 X 15 ARG HBy H 1 1.78 0.019 X 15 ARG HDx H 1 2.79 0.004 X 15 ARG HDy H 1 3.00 0.004 X 15 ARG HE H 1 6.84 0.001 X 15 ARG HGx H 1 1.59 0.005 X 15 ARG HGy H 1 1.59 0.005 X 16 GLY H H 1 9.00 0.023 X 16 GLY HAx H 1 3.63 0.020 X 16 GLY HAy H 1 4.15 0.023 X 17 THR H H 1 8.42 0.019 X 17 THR HA H 1 4.13 0.016 X 17 THR HB H 1 4.05 0.024 X 17 THR HG2% H 1 0.86 0.001 X 18 PHE H H 1 7.74 0.015 X 18 PHE HA H 1 4.79 0.006 X 18 PHE HBx H 1 2.74 0.003 X 18 PHE HBy H 1 2.84 0.014 X 18 PHE HDx H 1 7.18 0.013 X 18 PHE HDy H 1 7.18 0.013 X 18 PHE HEx H 1 7.38 0.005 X 18 PHE HEy H 1 7.38 0.005 X 18 PHE HZ H 1 7.24 0.004 X 19 CYS H H 1 8.38 0.003 X 19 CYS HA H 1 5.32 0.006 X 19 CYS HBx H 1 2.60 0.004 X 19 CYS HBy H 1 2.73 0.005 X 20 PHE H H 1 9.55 0.005 X 20 PHE HA H 1 5.07 0.008 X 20 PHE HBx H 1 2.64 0.006 X 20 PHE HBy H 1 3.14 0.009 X 20 PHE HDx H 1 7.18 0.013 X 20 PHE HDy H 1 7.18 0.013 X 20 PHE HEx H 1 7.38 0.005 X 20 PHE HEy H 1 7.38 0.005 X 20 PHE HZ H 1 7.24 0.004 X 21 PRO HA H 1 3.57 0.004 X 21 PRO HBy H 1 2.03 0.006 X 21 PRO HBx H 1 1.79 0.008 X 21 PRO HDy H 1 3.83 0.006 X 21 PRO HDx H 1 3.66 0.006 X 21 PRO HGx H 1 1.69 0.003 X 21 PRO HGy H 1 1.69 0.006 X 22 ASP H H 1 7.63 0.019 X 22 ASP HA H 1 4.33 0.007 X 22 ASP HBx H 1 2.80 0.014 X 22 ASP HBy H 1 2.97 0.018 X 23 ASP H H 1 8.01 0.013 X 23 ASP HA H 1 4.58 0.006 X 23 ASP HBx H 1 2.60 0.016 X 23 ASP HBy H 1 2.72 0.003 X 24 ASP H H 1 8.26 0.015 X 24 ASP HA H 1 4.38 0.007 X 24 ASP HBx H 1 2.58 0.020 X 24 ASP HBy H 1 2.58 0.020 X 25 TYR H H 1 8.17 0.019 X 25 TYR HA H 1 4.52 0.007 X 25 TYR HBx H 1 2.70 0.023 X 25 TYR HBy H 1 2.70 0.023 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _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 X 3 VAL H X 3 VAL HGx% 1.0 2.2 4.5 2 1 X 3 VAL H X 3 VAL HGy% 1.0 2.2 4.5 3 2 X 3 VAL HB X 3 VAL HGx% 1.0 1.8 3.5 4 2 X 3 VAL HGy% X 3 VAL HB 1.0 1.8 3.5 5 3 X 4 ARG H X 4 ARG HBy 1.0 2.2 4.5 6 4 X 4 ARG H X 4 ARG HBx 1.0 2.2 4.5 7 5 X 4 ARG HE X 4 ARG HGx 1.0 2.2 6.0 8 6 X 5 VAL H X 5 VAL HB 1.0 2.2 4.5 9 7 X 5 VAL H X 5 VAL HGx% 1.0 2.2 4.5 10 7 X 5 VAL H X 5 VAL HGy% 1.0 2.2 4.5 11 8 X 5 VAL HB X 5 VAL HA 1.0 2.2 4.5 12 9 X 5 VAL HA X 5 VAL HGx% 1.0 2.2 4.5 13 9 X 5 VAL HGy% X 5 VAL HA 1.0 2.2 4.5 14 10 X 7 THR H X 7 THR HB 1.0 2.2 5.0 15 11 X 7 THR H X 7 THR HG2% 1.0 2.2 5.0 16 11 X 7 THR H X 7 THR HG1 1.0 2.2 5.0 17 12 X 7 THR HB X 7 THR HA 1.0 1.8 3.5 18 13 X 7 THR HA X 7 THR HG2% 1.0 1.8 4.0 19 13 X 7 THR HG1 X 7 THR HA 1.0 1.8 4.0 20 14 X 7 THR HB X 7 THR HG2% 1.0 1.8 3.5 21 14 X 7 THR HB X 7 THR HG1 1.0 1.8 3.5 22 15 X 8 CYS H X 8 CYS HBx 1.0 2.2 4.5 23 16 X 8 CYS HBx X 8 CYS HBy 1.0 1.8 3.5 24 17 X 9 PRO HA X 9 PRO HGx 1.0 2.2 4.5 25 18 X 9 PRO HBy X 9 PRO HGy 1.0 2.2 4.5 26 19 X 9 PRO HGx X 9 PRO HBy 1.0 1.8 3.5 27 20 X 9 PRO HBy X 9 PRO HBx 1.0 1.8 3.5 28 21 X 9 PRO HGy X 9 PRO HBx 1.0 2.2 4.5 29 22 X 9 PRO HGx X 9 PRO HBx 1.0 2.2 4.5 30 23 X 9 PRO HBy X 9 PRO HDx 1.0 2.2 6.0 31 23 X 9 PRO HBy X 9 PRO HDy 1.0 2.2 6.0 32 24 X 9 PRO HBx X 9 PRO HDx 1.0 2.2 4.5 33 24 X 9 PRO HBx X 9 PRO HDy 1.0 2.2 4.5 34 25 X 9 PRO HGy X 9 PRO HDx 1.0 2.2 4.5 35 25 X 9 PRO HGy X 9 PRO HDy 1.0 2.2 4.5 36 26 X 9 PRO HGx X 9 PRO HDx 1.0 1.8 3.5 37 26 X 9 PRO HGx X 9 PRO HDy 1.0 1.8 3.5 38 27 X 9 PRO HGx X 9 PRO HGy 1.0 1.8 2.5 39 28 X 10 SER H X 10 SER HBx 1.0 1.8 3.5 40 28 X 10 SER H X 10 SER HBy 1.0 1.8 3.5 41 29 X 10 SER HA X 10 SER HBx 1.0 1.8 4.0 42 29 X 10 SER HBy X 10 SER HA 1.0 1.8 4.0 43 30 X 11 GLY H X 11 GLY HAy 1.0 1.8 3.5 44 31 X 11 GLY HAy X 11 GLY HAx 1.0 1.8 3.5 45 32 X 12 TYR H X 12 TYR HBy 1.0 2.2 4.5 46 33 X 12 TYR H X 12 TYR HBx 1.0 1.8 4.0 47 34 X 12 TYR H X 12 TYR HE% 1.0 2.2 7.4 48 35 X 12 TYR HBy X 12 TYR HA 1.0 2.2 4.5 49 36 X 12 TYR HBx X 12 TYR HA 1.0 2.2 4.5 50 37 X 12 TYR HBy X 12 TYR HBx 1.0 1.8 2.5 51 38 X 12 TYR H X 12 TYR HD% 1.0 2.2 7.4 52 39 X 12 TYR HA X 12 TYR HD% 1.0 2.2 7.4 53 40 X 12 TYR HBy X 12 TYR HD% 1.0 2.2 6.6 54 41 X 12 TYR HBx X 12 TYR HD% 1.0 2.2 7.4 55 42 X 12 TYR HE% X 12 TYR HA 1.0 2.2 7.4 56 43 X 12 TYR HBy X 12 TYR HE% 1.0 2.2 6.6 57 44 X 12 TYR HBx X 12 TYR HE% 1.0 2.2 7.4 58 45 X 13 VAL H X 13 VAL HGx% 1.0 2.2 4.5 59 45 X 13 VAL H X 13 VAL HGy% 1.0 2.2 4.5 60 46 X 13 VAL HA X 13 VAL HB 1.0 2.2 4.5 61 47 X 13 VAL HB X 13 VAL HGx% 1.0 1.8 3.5 62 47 X 13 VAL HGy% X 13 VAL HB 1.0 1.8 3.5 63 48 X 14 ARG H X 14 ARG HBx 1.0 2.2 4.5 64 49 X 14 ARG H X 14 ARG HGx 1.0 2.2 6.0 65 50 X 14 ARG HBx X 14 ARG HBy 1.0 1.8 2.5 66 51 X 14 ARG HBx X 14 ARG HGy 1.0 2.2 4.5 67 52 X 14 ARG HBy X 14 ARG HDx 1.0 2.2 4.5 68 52 X 14 ARG HBy X 14 ARG HDy 1.0 2.2 4.5 69 53 X 14 ARG HBx X 14 ARG HDx 1.0 2.2 4.5 70 53 X 14 ARG HBx X 14 ARG HDy 1.0 2.2 4.5 71 54 X 14 ARG HGy X 14 ARG HDx 1.0 1.8 3.5 72 54 X 14 ARG HGy X 14 ARG HDy 1.0 1.8 3.5 73 55 X 14 ARG HGx X 14 ARG HDx 1.0 1.8 3.5 74 55 X 14 ARG HGx X 14 ARG HDy 1.0 1.8 3.5 75 56 X 14 ARG HBy X 14 ARG HE 1.0 2.2 6.0 76 57 X 14 ARG HBx X 14 ARG HE 1.0 2.2 6.0 77 58 X 14 ARG HE X 14 ARG HDx 1.0 1.8 3.5 78 58 X 14 ARG HDy X 14 ARG HE 1.0 1.8 3.5 79 59 X 14 ARG HGy X 14 ARG HE 1.0 2.2 6.0 80 60 X 14 ARG HGx X 14 ARG HE 1.0 2.2 6.0 81 61 X 14 ARG HGx X 14 ARG HGy 1.0 1.8 2.5 82 62 X 15 ARG H X 15 ARG HDx 1.0 2.2 6.0 83 63 X 15 ARG H X 15 ARG HGx 1.0 2.2 6.0 84 63 X 15 ARG H X 15 ARG HGy 1.0 2.2 6.0 85 64 X 15 ARG HGy X 15 ARG HBy 1.0 1.8 3.5 86 64 X 15 ARG HBy X 15 ARG HGx 1.0 1.8 3.5 87 65 X 15 ARG HE X 15 ARG HDy 1.0 2.2 6.0 88 66 X 15 ARG HDx X 15 ARG HE 1.0 2.2 6.0 89 67 X 15 ARG HE X 15 ARG HGx 1.0 2.2 6.0 90 67 X 15 ARG HGy X 15 ARG HE 1.0 2.2 6.0 91 68 X 16 GLY H X 16 GLY HAx 1.0 2.2 4.5 92 69 X 16 GLY HAx X 16 GLY HAy 1.0 1.8 2.5 93 70 X 17 THR H X 17 THR HG2% 1.0 2.2 4.5 94 70 X 17 THR H X 17 THR HG1 1.0 2.2 4.5 95 71 X 17 THR HA X 17 THR HG2% 1.0 1.8 3.5 96 71 X 17 THR HG1 X 17 THR HA 1.0 1.8 3.5 97 72 X 17 THR HB X 17 THR HG2% 1.0 1.8 3.5 98 72 X 17 THR HG1 X 17 THR HB 1.0 1.8 3.5 99 73 X 18 PHE H X 18 PHE HBx 1.0 2.2 4.5 100 74 X 18 PHE H X 18 PHE HD% 1.0 2.2 7.4 101 75 X 18 PHE HD% X 18 PHE HBy 1.0 2.2 6.6 102 76 X 18 PHE HBx X 18 PHE HD% 1.0 2.2 6.6 103 77 X 18 PHE HBy X 18 PHE HE% 1.0 2.2 7.4 104 78 X 18 PHE HBx X 18 PHE HE% 1.0 2.2 7.4 105 79 X 18 PHE HD% X 18 PHE HE% 1.0 1.8 2.5 106 80 X 19 CYS H X 19 CYS HBy 1.0 2.2 4.5 107 81 X 19 CYS H X 19 CYS HBx 1.0 1.8 4.0 108 82 X 19 CYS HBy X 19 CYS HA 1.0 1.8 3.5 109 83 X 19 CYS HBx X 19 CYS HA 1.0 1.8 4.0 110 84 X 19 CYS HBy X 19 CYS HBx 1.0 1.8 2.5 111 85 X 20 PHE H X 20 PHE HBy 1.0 1.8 4.0 112 86 X 20 PHE H X 20 PHE HBx 1.0 2.2 4.5 113 87 X 20 PHE HBy X 20 PHE HA 1.0 2.2 4.5 114 88 X 20 PHE HBx X 20 PHE HA 1.0 1.8 4.0 115 89 X 20 PHE HBy X 20 PHE HBx 1.0 1.8 2.5 116 90 X 20 PHE HBy X 20 PHE HZ 1.0 2.2 6.0 117 91 X 20 PHE H X 20 PHE HD% 1.0 2.2 6.0 118 92 X 20 PHE HA X 20 PHE HD% 1.0 2.2 6.0 119 93 X 20 PHE HBy X 20 PHE HD% 1.0 2.2 4.5 120 94 X 20 PHE HBx X 20 PHE HD% 1.0 2.2 4.5 121 95 X 20 PHE HBy X 20 PHE HE% 1.0 2.2 7.4 122 96 X 21 PRO HDx X 21 PRO HBx 1.0 2.2 4.5 123 97 X 21 PRO HDx X 21 PRO HGx 1.0 2.2 6.0 124 97 X 21 PRO HDx X 21 PRO HGy 1.0 2.2 6.0 125 98 X 21 PRO HDx X 21 PRO HBy 1.0 2.2 4.5 126 99 X 21 PRO HBx X 21 PRO HA 1.0 2.2 6.0 127 100 X 21 PRO HA X 21 PRO HGx 1.0 2.2 4.5 128 100 X 21 PRO HGy X 21 PRO HA 1.0 2.2 4.5 129 101 X 21 PRO HBy X 21 PRO HA 1.0 1.8 3.5 130 102 X 21 PRO HBx X 21 PRO HDy 1.0 2.2 4.5 131 103 X 21 PRO HDy X 21 PRO HGx 1.0 2.2 4.5 132 103 X 21 PRO HGy X 21 PRO HDy 1.0 2.2 4.5 133 104 X 21 PRO HBy X 21 PRO HDy 1.0 1.8 3.5 134 105 X 21 PRO HBx X 21 PRO HGx 1.0 2.2 4.5 135 105 X 21 PRO HBx X 21 PRO HGy 1.0 2.2 4.5 136 106 X 21 PRO HBx X 21 PRO HBy 1.0 1.8 3.5 137 107 X 22 ASP H X 22 ASP HBy 1.0 2.2 6.0 138 108 X 22 ASP HBy X 22 ASP HBx 1.0 1.8 2.5 139 109 X 23 ASP H X 23 ASP HBx 1.0 2.2 4.5 140 110 X 24 ASP H X 24 ASP HBx 1.0 1.8 3.5 141 110 X 24 ASP H X 24 ASP HBy 1.0 1.8 3.5 142 111 X 24 ASP HA X 24 ASP HBx 1.0 1.8 3.5 143 111 X 24 ASP HBy X 24 ASP HA 1.0 1.8 3.5 144 112 X 25 TYR HA X 25 TYR HBx 1.0 2.2 4.5 145 112 X 25 TYR HA X 25 TYR HBy 1.0 2.2 4.5 146 113 X 2 GLY H X 1 PHE HA 1.0 2.2 6.0 147 114 X 3 VAL H X 2 GLY HAy 1.0 2.2 4.5 148 115 X 3 VAL H X 2 GLY HAx 1.0 2.2 4.5 149 116 X 4 ARG H X 3 VAL HA 1.0 1.8 2.5 150 117 X 3 VAL HB X 4 ARG H 1.0 2.2 4.5 151 118 X 5 VAL H X 4 ARG HA 1.0 1.8 3.5 152 119 X 4 ARG HBx X 5 VAL H 1.0 2.2 6.0 153 120 X 5 VAL HA X 6 GLY H 1.0 1.8 3.5 154 121 X 5 VAL HB X 6 GLY H 1.0 2.2 6.0 155 122 X 6 GLY H X 5 VAL HGx% 1.0 2.2 4.5 156 122 X 5 VAL HGy% X 6 GLY H 1.0 2.2 4.5 157 123 X 5 VAL HGx% X 6 GLY HAx 1.0 2.2 6.0 158 123 X 5 VAL HGy% X 6 GLY HAx 1.0 2.2 6.0 159 123 X 6 GLY HAy X 5 VAL HGx% 1.0 2.2 6.0 160 123 X 5 VAL HGy% X 6 GLY HAy 1.0 2.2 6.0 161 124 X 7 THR H X 6 GLY H 1.0 2.2 4.5 162 125 X 7 THR H X 6 GLY HAy 1.0 1.8 3.5 163 126 X 7 THR H X 8 CYS H 1.0 2.2 6.0 164 127 X 7 THR HA X 8 CYS H 1.0 1.8 3.5 165 128 X 7 THR HB X 8 CYS H 1.0 2.2 4.5 166 129 X 8 CYS H X 7 THR HG2% 1.0 2.2 4.5 167 129 X 7 THR HG1 X 8 CYS H 1.0 2.2 4.5 168 130 X 9 PRO HBx X 8 CYS HA 1.0 2.2 6.0 169 131 X 8 CYS HA X 9 PRO HDx 1.0 2.2 4.5 170 131 X 9 PRO HDy X 8 CYS HA 1.0 2.2 4.5 171 132 X 8 CYS HBy X 9 PRO HDx 1.0 2.2 6.0 172 132 X 8 CYS HBy X 9 PRO HDy 1.0 2.2 6.0 173 133 X 9 PRO HA X 10 SER H 1.0 1.8 3.5 174 134 X 9 PRO HBy X 10 SER H 1.0 2.2 4.5 175 135 X 9 PRO HGy X 10 SER H 1.0 2.2 6.0 176 136 X 9 PRO HGx X 10 SER H 1.0 2.2 4.5 177 137 X 10 SER H X 9 PRO HDx 1.0 2.2 6.0 178 137 X 9 PRO HDy X 10 SER H 1.0 2.2 6.0 179 138 X 10 SER H X 11 GLY H 1.0 2.2 6.0 180 139 X 11 GLY H X 12 TYR H 1.0 1.8 3.5 181 140 X 11 GLY HAx X 12 TYR H 1.0 2.2 6.0 182 141 X 12 TYR HE% X 13 VAL H 1.0 2.2 7.4 183 142 X 12 TYR HE% X 13 VAL HGx% 1.0 2.2 7.4 184 142 X 12 TYR HE% X 13 VAL HGy% 1.0 2.2 7.4 185 143 X 12 TYR HA X 13 VAL H 1.0 2.2 4.5 186 144 X 12 TYR HBy X 13 VAL H 1.0 2.2 4.5 187 145 X 12 TYR HBx X 13 VAL H 1.0 2.2 6.0 188 146 X 12 TYR HE% X 13 VAL H 1.0 2.2 7.4 189 147 X 13 VAL HA X 14 ARG H 1.0 2.2 4.5 190 148 X 13 VAL HB X 14 ARG H 1.0 2.2 4.5 191 149 X 14 ARG HBx X 15 ARG HGx 1.0 1.8 4.0 192 149 X 14 ARG HBx X 15 ARG HGy 1.0 1.8 4.0 193 150 X 14 ARG HGy X 15 ARG H 1.0 2.2 6.0 194 151 X 16 GLY H X 15 ARG HA 1.0 2.2 6.0 195 152 X 16 GLY H X 15 ARG HBy 1.0 2.2 6.0 196 152 X 16 GLY H X 15 ARG HBx 1.0 2.2 6.0 197 153 X 16 GLY H X 15 ARG HGx 1.0 2.2 6.0 198 153 X 15 ARG HGy X 16 GLY H 1.0 2.2 6.0 199 154 X 16 GLY H X 17 THR H 1.0 2.2 6.0 200 155 X 16 GLY HAy X 17 THR H 1.0 2.2 4.5 201 156 X 17 THR H X 18 PHE H 1.0 1.8 3.5 202 157 X 17 THR HA X 18 PHE H 1.0 2.2 6.0 203 158 X 17 THR HB X 18 PHE H 1.0 2.2 6.0 204 159 X 18 PHE H X 17 THR HG2% 1.0 2.2 6.0 205 159 X 17 THR HG1 X 18 PHE H 1.0 2.2 6.0 206 160 X 17 THR H X 18 PHE HD% 1.0 2.2 7.4 207 161 X 18 PHE HD% X 17 THR HG2% 1.0 2.2 7.4 208 161 X 17 THR HG1 X 18 PHE HD% 1.0 2.2 7.4 209 162 X 20 PHE HE% X 21 PRO HGx 1.0 2.2 7.4 210 163 X 20 PHE HZ X 21 PRO HDy 1.0 2.2 7.4 211 164 X 20 PHE HZ X 21 PRO HA 1.0 2.2 7.4 212 165 X 20 PHE HA X 21 PRO HDx 1.0 2.2 5.0 213 166 X 20 PHE HBx X 21 PRO HDx 1.0 2.2 6.0 214 167 X 20 PHE HA X 21 PRO HDy 1.0 2.2 6.0 215 168 X 20 PHE HBy X 21 PRO HDy 1.0 2.2 6.0 216 169 X 20 PHE HBx X 21 PRO HDy 1.0 2.2 6.0 217 170 X 22 ASP H X 23 ASP H 1.0 2.2 6.0 218 171 X 21 PRO HBy X 22 ASP HBy 1.0 2.2 6.0 219 172 X 19 CYS HA X 20 PHE H 1.0 1.8 3.5 220 173 X 19 CYS HBx X 20 PHE H 1.0 2.2 6.0 221 174 X 24 ASP H X 25 TYR H 1.0 2.2 4.5 222 175 X 24 ASP HA X 25 TYR H 1.0 2.2 4.5 223 176 X 12 TYR HBx X 9 PRO HDx 1.0 2.2 6.0 224 176 X 9 PRO HDy X 12 TYR HBx 1.0 2.2 6.0 225 177 X 10 SER HA X 12 TYR H 1.0 2.2 6.0 226 178 X 8 CYS HBy X 12 TYR HBx 1.0 2.2 6.0 227 179 X 8 CYS HBx X 12 TYR HBx 1.0 2.2 4.5 228 180 X 9 PRO HBy X 12 TYR HD% 1.0 2.2 7.4 229 181 X 12 TYR HD% X 9 PRO HDx 1.0 2.2 7.4 230 181 X 9 PRO HDy X 12 TYR HD% 1.0 2.2 7.4 231 182 X 9 PRO HGy X 12 TYR HD% 1.0 2.2 7.4 232 183 X 9 PRO HGx X 12 TYR HD% 1.0 2.2 7.4 233 184 X 10 SER H X 12 TYR HD% 1.0 2.2 7.4 234 185 X 10 SER HA X 12 TYR HD% 1.0 2.2 7.4 235 186 X 12 TYR HD% X 10 SER HBx 1.0 2.2 6.6 236 186 X 10 SER HBy X 12 TYR HD% 1.0 2.2 6.6 237 187 X 12 TYR HD% X 14 ARG HBy 1.0 2.2 7.4 238 188 X 12 TYR HD% X 21 PRO HBy 1.0 2.2 7.4 239 189 X 9 PRO HBy X 12 TYR HE% 1.0 2.2 7.4 240 190 X 12 TYR HE% X 9 PRO HDx 1.0 2.2 7.4 241 190 X 9 PRO HDy X 12 TYR HE% 1.0 2.2 7.4 242 191 X 9 PRO HGy X 12 TYR HE% 1.0 2.2 7.4 243 192 X 9 PRO HGx X 12 TYR HE% 1.0 2.2 7.4 244 193 X 10 SER H X 12 TYR HE% 1.0 2.2 7.4 245 194 X 10 SER HA X 12 TYR HE% 1.0 2.2 7.4 246 195 X 12 TYR HE% X 21 PRO HBy 1.0 2.2 7.4 247 196 X 9 PRO HBx X 12 TYR HE% 1.0 2.2 7.4 248 197 X 15 ARG H X 18 PHE H 1.0 2.2 6.0 249 198 X 15 ARG H X 18 PHE HE% 1.0 2.2 7.4 250 199 X 15 ARG H X 18 PHE HZ 1.0 2.2 7.4 251 200 X 13 VAL HGy% X 15 ARG HGx 1.0 2.2 6.0 252 200 X 13 VAL HGx% X 15 ARG HGx 1.0 2.2 6.0 253 200 X 15 ARG HGy X 13 VAL HGx% 1.0 2.2 6.0 254 200 X 13 VAL HGy% X 15 ARG HGy 1.0 2.2 6.0 255 201 X 15 ARG HE X 13 VAL HGx% 1.0 2.2 6.0 256 201 X 13 VAL HGy% X 15 ARG HE 1.0 2.2 6.0 257 202 X 20 PHE HD% X 13 VAL HGx% 1.0 2.2 7.4 258 202 X 13 VAL HGy% X 20 PHE HD% 1.0 2.2 7.4 259 203 X 12 TYR HA X 24 ASP H 1.0 2.2 4.5 260 204 X 21 PRO HA X 24 ASP H 1.0 2.2 4.5 261 205 X 24 ASP H X 21 PRO HGx 1.0 2.2 6.0 262 205 X 21 PRO HGy X 24 ASP H 1.0 2.2 6.0 263 206 X 21 PRO HBy X 24 ASP H 1.0 2.2 6.0 264 207 X 12 TYR HD% X 23 ASP HBy 1.0 2.2 7.4 265 208 X 12 TYR HD% X 21 PRO HDx 1.0 2.2 7.4 266 209 X 12 TYR HD% X 21 PRO HBx 1.0 2.2 7.4 267 210 X 12 TYR HD% X 22 ASP HBx 1.0 2.2 7.4 268 211 X 12 TYR HE% X 19 CYS HBx 1.0 2.2 7.4 269 212 X 12 TYR HE% X 22 ASP HBy 1.0 2.2 6.6 270 213 X 12 TYR HE% X 21 PRO HA 1.0 2.2 6.6 271 214 X 12 TYR HE% X 20 PHE H 1.0 2.2 7.4 272 215 X 13 VAL H X 23 ASP HBy 1.0 2.2 6.0 273 216 X 13 VAL H X 24 ASP H 1.0 2.2 6.0 274 217 X 12 TYR HBy X 19 CYS HBx 1.0 2.2 6.0 275 218 X 8 CYS HBy X 19 CYS HBy 1.0 2.2 3.5 276 219 X 20 PHE H X 13 VAL HGx% 1.0 2.2 6.0 277 219 X 13 VAL HGy% X 20 PHE H 1.0 2.2 6.0 278 220 X 12 TYR HA X 21 PRO HA 1.0 2.2 6.0 279 221 X 12 TYR HBy X 23 ASP HBy 1.0 2.2 6.0 280 222 X 13 VAL HB X 23 ASP HBy 1.0 2.2 6.0 281 223 X 23 ASP HBy X 13 VAL HGx% 1.0 2.2 6.0 282 223 X 13 VAL HGy% X 23 ASP HBy 1.0 2.2 6.0 283 224 X 23 ASP H X 25 TYR H 1.0 2.2 6.0 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 undefined _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 X 8 CYS CB X 19 CYS SG 1.0 2.2 3.5 2 2 X 19 CYS SG X 8 CYS SG 1.0 2.0 2.5 3 3 X 8 CYS SG X 19 CYS CB 1.0 2.2 3.5 4 4 X 19 CYS SG X 8 CYS SG 1.0 2.0 2.5 stop_ save_ save_CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_5 _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 X 20 PHE H X 13 VAL O 1.0 1.8 3.0 2 2 X 13 VAL O X 20 PHE N 1.0 2.4 4.0 3 3 X 18 PHE H X 15 ARG O 1.0 1.8 3.5 4 4 X 15 ARG O X 18 PHE N 1.0 2.4 4.5 5 5 X 13 VAL H X 20 PHE O 1.0 1.8 2.5 6 6 X 20 PHE O X 13 VAL N 1.0 2.4 3.5 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 _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 X 8 CYS C X 9 PRO N X 9 PRO CA X 9 PRO C 1.0 -85.0 -45.0 PHI 2 2 X 11 GLY C X 12 TYR N X 12 TYR CA X 12 TYR C 1.0 -170.0 -100.0 PHI 3 3 X 12 TYR C X 13 VAL N X 13 VAL CA X 13 VAL C 1.0 -170.0 -100.0 PHI 4 4 X 13 VAL C X 14 ARG N X 14 ARG CA X 14 ARG C 1.0 -170.0 -100.0 PHI 5 5 X 14 ARG C X 15 ARG N X 15 ARG CA X 15 ARG C 1.0 -170.0 -100.0 PHI 6 6 X 15 ARG C X 16 GLY N X 16 GLY CA X 16 GLY C 1.0 40.0 80.0 PHI 7 7 X 16 GLY C X 17 THR N X 17 THR CA X 17 THR C 1.0 50.0 70.0 PHI 8 8 X 17 THR C X 18 PHE N X 18 PHE CA X 18 PHE C 1.0 -170.0 -100.0 PHI 9 9 X 18 PHE C X 19 CYS N X 19 CYS CA X 19 CYS C 1.0 -170.0 -100.0 PHI 10 10 X 19 CYS C X 20 PHE N X 20 PHE CA X 20 PHE C 1.0 -170.0 -100.0 PHI 11 11 X 20 PHE C X 21 PRO N X 21 PRO CA X 21 PRO C 1.0 -85.0 -45.0 PHI 12 12 X 9 PRO N X 9 PRO CA X 9 PRO C X 10 SER N 1.0 105.0 165.0 PSI 13 13 X 12 TYR N X 12 TYR CA X 12 TYR C X 13 VAL N 1.0 100.0 170.0 PSI 14 14 X 13 VAL N X 13 VAL CA X 13 VAL C X 14 ARG N 1.0 100.0 170.0 PSI 15 15 X 14 ARG N X 14 ARG CA X 14 ARG C X 15 ARG N 1.0 100.0 170.0 PSI 16 16 X 15 ARG N X 15 ARG CA X 15 ARG C X 16 GLY N 1.0 100.0 170.0 PSI 17 17 X 16 GLY N X 16 GLY CA X 16 GLY C X 17 THR N 1.0 10.0 50.0 PSI 18 18 X 17 THR N X 17 THR CA X 17 THR C X 18 PHE N 1.0 20.0 40.0 PSI 19 19 X 18 PHE N X 18 PHE CA X 18 PHE C X 19 CYS N 1.0 100.0 170.0 PSI 20 20 X 19 CYS N X 19 CYS CA X 19 CYS C X 20 PHE N 1.0 100.0 170.0 PSI 21 21 X 20 PHE N X 20 PHE CA X 20 PHE C X 21 PRO N 1.0 100.0 170.0 PSI 22 22 X 21 PRO N X 21 PRO CA X 21 PRO C X 22 ASP N 1.0 105.0 165.0 PSI stop_ save_