data_nef_c25206_2mud 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 2MUD 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 ACE C 1 2 GLU N 1 21 GLU C 1 22 NH2 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 ACE start . . 2 A 1 GLU middle . . 3 A 2 SER middle . . 4 A 3 ALA middle . . 5 A 4 LYS middle . . 6 A 5 HIS middle . . 7 A 6 MET middle . . 8 A 7 PHE middle . . 9 A 8 ASP middle . . 10 A 9 ARG middle . . 11 A 10 ILE middle . . 12 A 11 GLY middle . false 13 A 12 LYS middle . . 14 A 13 ASP middle . . 15 A 14 VAL middle . . 16 A 15 TYR middle . . 17 A 16 ASP middle . . 18 A 17 LYS middle . . 19 A 18 VAL middle . . 20 A 19 LYS middle . . 21 A 20 GLU middle . . 22 A 21 NH2 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 GLU H H 1 8.340 0.02 A 1 GLU HA H 1 4.140 0.02 A 1 GLU HBx H 1 1.990 0.02 A 1 GLU HBy H 1 1.990 0.02 A 1 GLU HGx H 1 2.370 0.02 A 1 GLU HGy H 1 2.370 0.02 A 2 SER H H 1 8.360 0.02 A 2 SER HA H 1 4.290 0.02 A 2 SER HBx H 1 3.860 0.02 A 2 SER HBy H 1 3.980 0.02 A 3 ALA H H 1 8.170 0.02 A 3 ALA HA H 1 4.070 0.02 A 3 ALA HB% H 1 1.350 0.02 A 4 LYS H H 1 7.880 0.02 A 4 LYS HA H 1 3.990 0.02 A 4 LYS HBx H 1 1.720 0.02 A 4 LYS HBy H 1 1.720 0.02 A 5 HIS H H 1 7.970 0.02 A 5 HIS HA H 1 4.500 0.02 A 5 HIS HBy H 1 3.290 0.02 A 5 HIS HBx H 1 3.200 0.02 A 5 HIS HD2 H 1 7.270 0.02 A 5 HIS HE1 H 1 7.980 0.02 A 6 MET H H 1 8.020 0.02 A 6 MET HA H 1 4.140 0.02 A 6 MET HBx H 1 1.950 0.02 A 6 MET HBy H 1 1.950 0.02 A 7 PHE H H 1 8.290 0.02 A 7 PHE HA H 1 4.350 0.02 A 7 PHE HBx H 1 3.020 0.02 A 7 PHE HBy H 1 3.200 0.02 A 7 PHE HDx H 1 6.960 0.02 A 7 PHE HDy H 1 6.960 0.02 A 7 PHE HEx H 1 7.170 0.02 A 7 PHE HEy H 1 7.170 0.02 A 8 ASP H H 1 8.180 0.02 A 8 ASP HA H 1 4.400 0.02 A 8 ASP HBy H 1 2.810 0.02 A 8 ASP HBx H 1 2.670 0.02 A 9 ARG H H 1 7.860 0.02 A 9 ARG HA H 1 4.070 0.02 A 9 ARG HBx H 1 1.810 0.02 A 9 ARG HBy H 1 1.810 0.02 A 10 ILE H H 1 8.050 0.02 A 10 ILE HA H 1 3.900 0.02 A 10 ILE HB H 1 1.850 0.02 A 10 ILE HD1% H 1 0.760 0.02 A 10 ILE HG2% H 1 0.840 0.02 A 11 GLY H H 1 8.190 0.02 A 11 GLY HAx H 1 3.710 0.02 A 11 GLY HAy H 1 3.830 0.02 A 12 LYS H H 1 7.850 0.02 A 12 LYS HA H 1 4.060 0.02 A 12 LYS HBx H 1 1.850 0.02 A 12 LYS HBy H 1 1.850 0.02 A 13 ASP H H 1 8.070 0.02 A 13 ASP HA H 1 4.470 0.02 A 13 ASP HBy H 1 2.860 0.02 A 13 ASP HBx H 1 2.730 0.02 A 14 VAL H H 1 8.100 0.02 A 14 VAL HA H 1 3.630 0.02 A 14 VAL HB H 1 2.060 0.02 A 14 VAL HGx% H 1 0.780 0.02 A 14 VAL HGy% H 1 0.900 0.02 A 15 TYR H H 1 8.070 0.02 A 15 TYR HA H 1 4.070 0.02 A 15 TYR HBx H 1 3.020 0.02 A 15 TYR HBy H 1 3.080 0.02 A 15 TYR HDx H 1 7.060 0.02 A 15 TYR HDy H 1 7.060 0.02 A 15 TYR HEx H 1 6.730 0.02 A 15 TYR HEy H 1 6.730 0.02 A 16 ASP H H 1 8.320 0.02 A 16 ASP HA H 1 4.300 0.02 A 16 ASP HBy H 1 2.850 0.02 A 16 ASP HBx H 1 2.690 0.02 A 17 LYS H H 1 7.780 0.02 A 17 LYS HA H 1 4.070 0.02 A 17 LYS HBx H 1 1.880 0.02 A 17 LYS HBy H 1 1.880 0.02 A 18 VAL H H 1 8.160 0.02 A 18 VAL HA H 1 3.730 0.02 A 18 VAL HB H 1 2.060 0.02 A 18 VAL HGx% H 1 0.920 0.02 A 18 VAL HGy% H 1 0.820 0.02 A 19 LYS H H 1 8.040 0.02 A 19 LYS HA H 1 3.990 0.02 A 19 LYS HBx H 1 1.620 0.02 A 19 LYS HBy H 1 1.620 0.02 A 20 GLU H H 1 7.740 0.02 A 20 GLU HA H 1 4.140 0.02 A 20 GLU HBx H 1 2.020 0.02 A 20 GLU HBy H 1 2.100 0.02 A 20 GLU HGx H 1 2.470 0.02 A 20 GLU HGy H 1 2.470 0.02 stop_ save_ save_Discover_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode Discover_distance_constraints_5 _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 1 GLU H A 1 GLU HA 1.0 1.8 2.8 2 2 A 2 SER H A 2 SER HA 1.0 1.8 2.8 3 3 A 3 ALA H A 3 ALA HA 1.0 1.8 2.8 4 4 A 4 LYS H A 4 LYS HA 1.0 1.8 2.8 5 5 A 5 HIS H A 5 HIS HBy 1.0 1.8 3.8 6 5 A 5 HIS H A 5 HIS HBx 1.0 1.8 3.8 7 6 A 13 ASP H A 13 ASP HBy 1.0 1.8 2.8 8 7 A 13 ASP H A 13 ASP HBx 1.0 1.8 2.8 9 8 A 15 TYR H A 15 TYR HBx 1.0 1.8 3.8 10 8 A 15 TYR H A 15 TYR HBy 1.0 1.8 3.8 11 9 A 13 ASP HBx A 14 VAL H 1.0 1.8 2.8 12 10 A 13 ASP HBy A 14 VAL H 1.0 2.8 3.5 13 11 A 8 ASP H A 7 PHE HBy 1.0 2.8 3.5 14 12 A 8 ASP H A 7 PHE HBx 1.0 1.8 2.8 15 13 A 7 PHE HBx A 7 PHE H 1.0 1.8 2.8 16 14 A 7 PHE HBy A 7 PHE H 1.0 2.8 3.5 17 15 A 16 ASP H A 16 ASP HBy 1.0 1.8 2.8 18 16 A 16 ASP H A 16 ASP HBx 1.0 1.8 2.8 19 17 A 8 ASP H A 8 ASP HBy 1.0 1.8 2.8 20 18 A 8 ASP H A 8 ASP HBx 1.0 1.8 2.8 21 19 A 6 MET H A 6 MET HA 1.0 1.8 2.8 22 20 A 2 SER HA A 3 ALA H 1.0 2.8 3.5 23 21 A 5 HIS H A 5 HIS HA 1.0 1.8 2.8 24 22 A 14 VAL H A 13 ASP HA 1.0 2.8 3.5 25 23 A 8 ASP H A 8 ASP HA 1.0 2.8 3.5 26 24 A 8 ASP H A 7 PHE HA 1.0 2.8 3.5 27 25 A 7 PHE H A 7 PHE HA 1.0 1.8 2.8 28 26 A 18 VAL H A 17 LYS HA 1.0 2.8 3.5 29 27 A 19 LYS H A 19 LYS HA 1.0 1.8 2.8 30 28 A 4 LYS HA A 5 HIS H 1.0 1.8 2.8 31 29 A 13 ASP H A 12 LYS HA 1.0 1.8 2.8 32 30 A 10 ILE H A 9 ARG HA 1.0 2.8 3.5 33 31 A 12 LYS HA A 12 LYS H 1.0 1.8 2.8 34 32 A 17 LYS HA A 17 LYS H 1.0 1.8 2.8 35 33 A 9 ARG HA A 9 ARG H 1.0 1.8 2.8 36 34 A 20 GLU H A 20 GLU HA 1.0 1.8 2.8 37 35 A 2 SER H A 2 SER HBy 1.0 1.8 2.8 38 36 A 2 SER H A 2 SER HBx 1.0 1.8 2.8 39 37 A 11 GLY H A 11 GLY HAy 1.0 1.8 2.8 40 38 A 11 GLY H A 11 GLY HAx 1.0 1.8 2.8 41 39 A 14 VAL H A 14 VAL HA 1.0 1.8 2.8 42 40 A 18 VAL H A 18 VAL HA 1.0 1.8 2.8 43 41 A 10 ILE H A 10 ILE HA 1.0 1.8 2.8 44 42 A 8 ASP HBx A 9 ARG H 1.0 1.8 2.8 45 43 A 8 ASP HBy A 9 ARG H 1.0 2.8 3.5 46 44 A 6 MET H A 6 MET HGy 1.0 1.8 2.8 47 45 A 6 MET H A 6 MET HGx 1.0 1.8 2.8 48 46 A 1 GLU H A 1 GLU HGx 1.0 1.8 3.8 49 46 A 1 GLU H A 1 GLU HGy 1.0 1.8 3.8 50 47 A 2 SER H A 1 GLU HGx 1.0 1.8 3.8 51 47 A 2 SER H A 1 GLU HGy 1.0 1.8 3.8 52 48 A 20 GLU H A 20 GLU HGx 1.0 2.8 4.5 53 48 A 20 GLU H A 20 GLU HGy 1.0 2.8 4.5 54 49 A 1 GLU H A 1 GLU HBx 1.0 1.8 2.8 55 50 A 2 SER H A 1 GLU HBx 1.0 1.8 2.8 56 51 A 1 GLU H A 1 GLU HBy 1.0 2.8 3.5 57 52 A 11 GLY H A 10 ILE HB 1.0 1.8 2.8 58 53 A 18 VAL H A 17 LYS HBx 1.0 1.8 3.8 59 53 A 18 VAL H A 17 LYS HBy 1.0 1.8 3.8 60 54 A 14 VAL H A 14 VAL HB 1.0 3.5 5.0 61 55 A 19 LYS H A 18 VAL HB 1.0 2.8 3.5 62 56 A 6 MET H A 6 MET HBx 1.0 1.8 3.8 63 56 A 6 MET H A 6 MET HBy 1.0 1.8 3.8 64 57 A 10 ILE H A 10 ILE HB 1.0 1.8 2.8 65 58 A 5 HIS H A 4 LYS HBx 1.0 1.8 3.8 66 58 A 5 HIS H A 4 LYS HBy 1.0 1.8 3.8 67 59 A 4 LYS H A 4 LYS HBx 1.0 1.8 3.8 68 59 A 4 LYS H A 4 LYS HBy 1.0 1.8 3.8 69 60 A 12 LYS H A 12 LYS HBx 1.0 1.8 3.8 70 60 A 12 LYS H A 12 LYS HBy 1.0 1.8 3.8 71 61 A 9 ARG H A 9 ARG HBx 1.0 1.8 3.8 72 61 A 9 ARG H A 9 ARG HBy 1.0 1.8 3.8 73 62 A 17 LYS H A 17 LYS HBx 1.0 1.8 3.8 74 62 A 17 LYS H A 17 LYS HBy 1.0 1.8 3.8 75 63 A 20 GLU H A 20 GLU HBy 1.0 1.8 2.8 76 64 A 20 GLU H A 20 GLU HBx 1.0 1.8 2.8 77 65 A 3 ALA H A 1 GLU HBx 1.0 2.8 3.5 78 66 A 13 ASP H A 9 ARG HBx 1.0 3.5 6.0 79 66 A 13 ASP H A 9 ARG HBy 1.0 3.5 6.0 80 67 A 17 LYS H A 14 VAL HB 1.0 3.5 5.0 81 68 A 4 LYS H A 1 GLU HBx 1.0 3.5 5.0 82 69 A 19 LYS H A 19 LYS HBx 1.0 1.8 3.8 83 69 A 19 LYS H A 19 LYS HBy 1.0 1.8 3.8 84 70 A 20 GLU H A 19 LYS HBx 1.0 1.8 3.8 85 70 A 20 GLU H A 19 LYS HBy 1.0 1.8 3.8 86 71 A 3 ALA H A 3 ALA HB% 1.0 1.8 3.8 87 72 A 2 SER H A 3 ALA HB% 1.0 3.5 6.0 88 73 A 4 LYS H A 3 ALA HB% 1.0 1.8 3.8 89 74 A 6 MET H A 3 ALA HB% 1.0 3.5 6.0 90 75 A 11 GLY H A 10 ILE HG2% 1.0 1.8 3.8 91 76 A 14 VAL H A 14 VAL HGy% 1.0 1.8 3.8 92 77 A 14 VAL H A 14 VAL HGx% 1.0 1.8 3.8 93 78 A 15 TYR H A 14 VAL HGy% 1.0 2.8 4.5 94 79 A 15 TYR H A 14 VAL HGx% 1.0 2.8 4.5 95 80 A 10 ILE H A 10 ILE HG2% 1.0 2.8 4.5 96 81 A 10 ILE H A 10 ILE HD1% 1.0 1.8 3.8 97 82 A 10 ILE H A 10 ILE HG1y 1.0 1.8 2.8 98 83 A 10 ILE H A 10 ILE HG1x 1.0 2.8 3.5 99 84 A 5 HIS HD2 A 5 HIS HBy 1.0 1.8 3.8 100 84 A 5 HIS HBx A 5 HIS HD2 1.0 1.8 3.8 101 85 A 7 PHE HBx A 7 PHE HE% 1.0 1.8 4.8 102 86 A 7 PHE HBy A 7 PHE HE% 1.0 1.8 4.8 103 87 A 15 TYR HD% A 15 TYR HBx 1.0 1.8 5.8 104 87 A 15 TYR HBy A 15 TYR HD% 1.0 1.8 5.8 105 88 A 15 TYR HE% A 15 TYR HBx 1.0 1.8 5.8 106 88 A 15 TYR HBy A 15 TYR HE% 1.0 1.8 5.8 107 89 A 16 ASP H A 14 VAL HA 1.0 2.8 3.5 108 90 A 15 TYR H A 14 VAL HA 1.0 1.8 2.8 109 91 A 19 LYS H A 18 VAL HA 1.0 2.8 3.5 110 92 A 12 LYS H A 11 GLY HAy 1.0 1.8 2.8 111 93 A 12 LYS H A 11 GLY HAx 1.0 2.8 3.5 112 94 A 17 LYS H A 14 VAL HA 1.0 1.8 2.8 113 95 A 20 GLU H A 18 VAL HA 1.0 2.8 3.5 114 96 A 3 ALA H A 2 SER HBy 1.0 1.8 2.8 115 97 A 3 ALA H A 2 SER HBx 1.0 2.8 3.5 116 98 A 13 ASP H A 10 ILE HA 1.0 2.8 3.5 117 99 A 11 GLY H A 10 ILE HA 1.0 2.8 3.5 118 100 A 4 LYS HA A 7 PHE H 1.0 2.8 3.5 119 101 A 4 LYS HA A 8 ASP H 1.0 2.8 3.5 120 102 A 3 ALA HA A 7 PHE H 1.0 2.8 3.5 121 103 A 16 ASP H A 12 LYS HA 1.0 1.8 2.8 122 104 A 3 ALA HA A 4 LYS H 1.0 1.8 2.8 123 105 A 19 LYS HA A 20 GLU H 1.0 2.8 3.5 124 106 A 1 GLU HA A 4 LYS H 1.0 3.5 5.0 125 107 A 6 MET HA A 9 ARG H 1.0 2.8 3.5 126 108 A 12 LYS H A 10 ILE HA 1.0 3.5 5.0 127 109 A 1 GLU HA A 2 SER H 1.0 1.8 2.8 128 110 A 7 PHE H A 6 MET HA 1.0 2.8 3.5 129 111 A 8 ASP H A 6 MET HA 1.0 3.5 5.0 130 112 A 19 LYS H A 16 ASP HA 1.0 2.8 3.5 131 113 A 2 SER HA A 5 HIS H 1.0 2.8 3.5 132 114 A 7 PHE HA A 10 ILE H 1.0 2.8 3.5 133 115 A 2 SER HA A 4 LYS H 1.0 3.5 5.0 134 116 A 7 PHE HA A 9 ARG H 1.0 3.5 5.0 135 117 A 17 LYS H A 16 ASP HA 1.0 2.8 3.5 136 118 A 7 PHE H A 5 HIS HA 1.0 3.5 5.0 137 119 A 15 TYR H A 13 ASP HA 1.0 2.8 3.5 138 120 A 5 HIS HA A 9 ARG H 1.0 2.8 3.5 139 121 A 8 ASP HA A 12 LYS H 1.0 3.5 5.0 140 122 A 15 TYR HE% A 15 TYR HA 1.0 1.8 4.8 141 123 A 15 TYR HD% A 15 TYR HA 1.0 1.8 4.8 142 124 A 15 TYR HD% A 16 ASP HA 1.0 1.8 4.8 143 125 A 7 PHE HA A 7 PHE HE% 1.0 1.8 4.8 144 126 A 5 HIS HA A 5 HIS HD2 1.0 1.8 2.8 145 127 A 2 SER HA A 2 SER HBx 1.0 1.8 2.8 146 128 A 2 SER HA A 2 SER HBy 1.0 1.8 2.8 147 129 A 4 LYS HA A 7 PHE HBx 1.0 1.8 2.8 148 130 A 3 ALA HA A 7 PHE HBx 1.0 2.8 3.5 149 131 A 13 ASP HBy A 10 ILE HA 1.0 2.8 3.5 150 132 A 13 ASP HBx A 10 ILE HA 1.0 1.8 2.8 151 133 A 15 TYR HA A 15 TYR HBx 1.0 1.8 3.8 152 133 A 15 TYR HBy A 15 TYR HA 1.0 1.8 3.8 153 134 A 4 LYS HA A 7 PHE HBy 1.0 2.8 3.5 154 135 A 2 SER HA A 5 HIS HBy 1.0 1.8 3.8 155 135 A 2 SER HA A 5 HIS HBx 1.0 1.8 3.8 156 136 A 5 HIS HA A 5 HIS HBy 1.0 1.8 3.8 157 136 A 5 HIS HBx A 5 HIS HA 1.0 1.8 3.8 158 137 A 7 PHE HBx A 7 PHE HA 1.0 1.8 2.8 159 138 A 7 PHE HBy A 7 PHE HA 1.0 1.8 2.8 160 139 A 16 ASP HBy A 16 ASP HA 1.0 1.8 2.8 161 140 A 8 ASP HBy A 8 ASP HA 1.0 1.8 2.8 162 141 A 13 ASP HBy A 13 ASP HA 1.0 1.8 2.8 163 142 A 16 ASP HBx A 16 ASP HA 1.0 1.8 2.8 164 143 A 13 ASP HBx A 13 ASP HA 1.0 1.8 2.8 165 144 A 1 GLU HA A 1 GLU HGx 1.0 1.8 3.8 166 144 A 1 GLU HA A 1 GLU HGy 1.0 1.8 3.8 167 145 A 20 GLU HA A 20 GLU HGx 1.0 2.8 4.5 168 145 A 20 GLU HA A 20 GLU HGy 1.0 2.8 4.5 169 146 A 14 VAL HA A 14 VAL HB 1.0 1.8 2.8 170 147 A 18 VAL HA A 18 VAL HB 1.0 1.8 2.8 171 148 A 14 VAL HA A 17 LYS HBx 1.0 1.8 3.8 172 148 A 14 VAL HA A 17 LYS HBy 1.0 1.8 3.8 173 149 A 10 ILE HA A 10 ILE HB 1.0 1.8 2.8 174 150 A 17 LYS HA A 20 GLU HBy 1.0 1.8 2.8 175 151 A 3 ALA HA A 6 MET HBx 1.0 2.8 4.5 176 151 A 3 ALA HA A 6 MET HBy 1.0 2.8 4.5 177 152 A 20 GLU HA A 20 GLU HBx 1.0 1.8 2.8 178 153 A 20 GLU HA A 20 GLU HBy 1.0 1.8 2.8 179 154 A 6 MET HA A 6 MET HBx 1.0 1.8 3.8 180 154 A 6 MET HA A 6 MET HBy 1.0 1.8 3.8 181 155 A 17 LYS HA A 17 LYS HBx 1.0 1.8 3.8 182 155 A 17 LYS HA A 17 LYS HBy 1.0 1.8 3.8 183 156 A 9 ARG HA A 9 ARG HBx 1.0 1.8 3.8 184 156 A 9 ARG HA A 9 ARG HBy 1.0 1.8 3.8 185 157 A 12 LYS HA A 12 LYS HBx 1.0 1.8 3.8 186 157 A 12 LYS HA A 12 LYS HBy 1.0 1.8 3.8 187 158 A 4 LYS HA A 4 LYS HBx 1.0 1.8 3.8 188 158 A 4 LYS HA A 4 LYS HBy 1.0 1.8 3.8 189 159 A 1 GLU HA A 4 LYS HBx 1.0 3.5 6.0 190 159 A 1 GLU HA A 4 LYS HBy 1.0 3.5 6.0 191 160 A 7 PHE HA A 10 ILE HB 1.0 1.8 2.8 192 161 A 16 ASP HA A 19 LYS HBx 1.0 1.8 3.8 193 161 A 19 LYS HBy A 16 ASP HA 1.0 1.8 3.8 194 162 A 19 LYS HA A 19 LYS HBx 1.0 1.8 3.8 195 162 A 19 LYS HA A 19 LYS HBy 1.0 1.8 3.8 196 163 A 10 ILE HA A 10 ILE HG1x 1.0 1.8 2.8 197 164 A 10 ILE HA A 10 ILE HG1y 1.0 1.8 2.8 198 165 A 3 ALA HA A 3 ALA HB% 1.0 1.8 3.8 199 166 A 14 VAL HA A 14 VAL HGx% 1.0 1.8 3.8 200 167 A 14 VAL HA A 14 VAL HGy% 1.0 1.8 3.8 201 168 A 18 VAL HA A 18 VAL HGy% 1.0 1.8 3.8 202 169 A 18 VAL HA A 18 VAL HGx% 1.0 1.8 3.8 203 170 A 10 ILE HA A 10 ILE HG2% 1.0 1.8 3.8 204 171 A 10 ILE HA A 10 ILE HD1% 1.0 2.8 4.5 205 172 A 15 TYR HA A 18 VAL HGx% 1.0 1.8 3.8 206 173 A 15 TYR HA A 18 VAL HGy% 1.0 1.8 3.8 207 174 A 7 PHE HA A 10 ILE HG2% 1.0 1.8 3.8 208 175 A 7 PHE HA A 10 ILE HD1% 1.0 1.8 3.8 209 176 A 18 VAL HB A 18 VAL HGx% 1.0 1.8 3.8 210 177 A 14 VAL HB A 14 VAL HGx% 1.0 1.8 3.8 211 178 A 18 VAL HB A 18 VAL HGy% 1.0 1.8 3.8 212 179 A 14 VAL HB A 14 VAL HGy% 1.0 1.8 3.8 213 180 A 10 ILE HB A 10 ILE HD1% 1.0 1.8 3.8 214 181 A 10 ILE HB A 10 ILE HG2% 1.0 1.8 3.8 215 182 A 10 ILE HG2% A 10 ILE HG1x 1.0 1.8 3.8 216 183 A 10 ILE HD1% A 10 ILE HG1x 1.0 1.8 3.8 217 184 A 10 ILE HD1% A 10 ILE HG1y 1.0 1.8 3.8 218 185 A 10 ILE HG2% A 10 ILE HG1y 1.0 1.8 3.8 219 186 A 10 ILE HG1y A 10 ILE HG1x 1.0 1.8 2.8 220 187 A 15 TYR HD% A 15 TYR HE% 1.0 1.8 6.8 221 188 A 15 TYR H A 15 TYR HD% 1.0 1.8 4.8 222 189 A 8 ASP H A 7 PHE HE% 1.0 3.5 7.0 223 190 A 7 PHE H A 7 PHE HE% 1.0 2.8 5.5 224 191 A 16 ASP H A 15 TYR HD% 1.0 1.8 4.8 225 192 A 16 ASP H A 17 LYS H 1.0 1.8 2.8 226 193 A 2 SER H A 4 LYS H 1.0 3.5 5.0 227 194 A 7 PHE H A 6 MET H 1.0 1.8 2.8 228 195 A 15 TYR H A 16 ASP H 1.0 1.8 2.8 229 196 A 2 SER H A 3 ALA H 1.0 1.8 2.8 230 197 A 10 ILE H A 11 GLY H 1.0 1.8 2.8 231 198 A 8 ASP H A 7 PHE H 1.0 1.8 2.8 232 199 A 8 ASP H A 9 ARG H 1.0 1.8 2.8 233 200 A 12 LYS H A 11 GLY H 1.0 1.8 2.8 234 201 A 3 ALA H A 4 LYS H 1.0 1.8 2.8 235 202 A 4 LYS H A 5 HIS H 1.0 1.8 2.8 236 203 A 13 ASP H A 12 LYS H 1.0 1.8 2.8 237 204 A 10 ILE H A 9 ARG H 1.0 1.8 2.8 238 205 A 18 VAL H A 17 LYS H 1.0 1.8 2.8 239 206 A 19 LYS H A 20 GLU H 1.0 1.8 2.8 240 207 A 18 VAL H A 19 LYS H 1.0 1.8 2.8 241 208 A 13 ASP H A 14 VAL H 1.0 1.8 2.8 242 209 A 8 ASP H A 6 MET H 1.0 2.8 3.5 243 210 A 1 GLU HA A 3 ALA H 1.0 3.5 5.0 244 211 A 3 ALA HA A 5 HIS H 1.0 2.8 3.5 245 212 A 4 LYS HA A 6 MET H 1.0 3.5 5.0 246 213 A 14 VAL H A 12 LYS HA 1.0 3.5 5.0 247 214 A 18 VAL H A 16 ASP HA 1.0 2.8 3.5 248 215 A 6 MET HA A 10 ILE H 1.0 2.8 3.5 249 216 A 7 PHE HA A 11 GLY H 1.0 2.8 3.5 250 217 A 13 ASP H A 9 ARG HA 1.0 3.5 5.0 251 218 A 14 VAL H A 10 ILE HA 1.0 2.8 3.5 252 219 A 13 ASP HA A 17 LYS H 1.0 2.8 3.5 253 220 A 18 VAL H A 14 VAL HA 1.0 2.8 3.5 254 221 A 19 LYS H A 15 TYR HA 1.0 2.8 3.5 255 222 A 20 GLU H A 16 ASP HA 1.0 3.5 5.0 256 223 A 3 ALA HA A 6 MET H 1.0 2.8 3.5 257 224 A 8 ASP H A 5 HIS HA 1.0 2.8 3.5 258 225 A 9 ARG HA A 12 LYS H 1.0 2.8 3.5 259 226 A 15 TYR H A 12 LYS HA 1.0 2.8 3.5 260 227 A 18 VAL H A 15 TYR HA 1.0 2.8 3.5 261 228 A 15 TYR H A 15 TYR HA 1.0 2.8 3.5 262 229 A 13 ASP H A 13 ASP HA 1.0 2.8 3.5 263 230 A 18 VAL H A 18 VAL HB 1.0 2.8 3.5 264 231 A 18 VAL H A 18 VAL HGx% 1.0 2.8 4.5 265 232 A 18 VAL H A 18 VAL HGy% 1.0 2.8 4.5 266 233 A 6 MET HA A 9 ARG HBx 1.0 3.5 6.0 267 233 A 6 MET HA A 9 ARG HBy 1.0 3.5 6.0 268 234 A 13 ASP H A 11 GLY HAx 1.0 3.5 5.0 269 235 A 13 ASP H A 11 GLY HAy 1.0 3.5 5.0 270 236 A 14 VAL H A 11 GLY HAx 1.0 3.5 5.0 271 237 A 13 ASP H A 15 TYR HA 1.0 3.5 5.0 stop_ save_ save_Discover_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode Discover_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 5 HIS H A 1 GLU O 1.0 1.8 2.5 2 2 A 6 MET H A 2 SER O 1.0 1.8 2.5 3 3 A 9 ARG H A 5 HIS O 1.0 1.8 2.5 4 4 A 13 ASP H A 9 ARG O 1.0 1.8 2.5 5 5 A 17 LYS H A 13 ASP O 1.0 1.8 2.5 stop_ save_ save_Discover_dihedral_6 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode Discover_dihedral_6 _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 GLU CA A 1 GLU C A 2 SER N A 2 SER CA 1.0 178.0 180.0 OMEGA 2 2 A 2 SER CA A 2 SER C A 3 ALA N A 3 ALA CA 1.0 178.0 180.0 OMEGA 3 3 A 3 ALA CA A 3 ALA C A 4 LYS N A 4 LYS CA 1.0 178.0 180.0 OMEGA 4 4 A 4 LYS CA A 4 LYS C A 5 HIS N A 5 HIS CA 1.0 178.0 180.0 OMEGA 5 5 A 5 HIS CA A 5 HIS C A 6 MET N A 6 MET CA 1.0 178.0 180.0 OMEGA 6 6 A 6 MET CA A 6 MET C A 7 PHE N A 7 PHE CA 1.0 178.0 180.0 OMEGA 7 7 A 7 PHE CA A 7 PHE C A 8 ASP N A 8 ASP CA 1.0 178.0 180.0 OMEGA 8 8 A 8 ASP CA A 8 ASP C A 9 ARG N A 9 ARG CA 1.0 178.0 180.0 OMEGA 9 9 A 9 ARG CA A 9 ARG C A 10 ILE N A 10 ILE CA 1.0 178.0 180.0 OMEGA 10 10 A 10 ILE CA A 10 ILE C A 11 GLY N A 11 GLY CA 1.0 178.0 180.0 OMEGA 11 11 A 11 GLY CA A 11 GLY C A 12 LYS N A 12 LYS CA 1.0 178.0 180.0 OMEGA 12 12 A 12 LYS CA A 12 LYS C A 13 ASP N A 13 ASP CA 1.0 178.0 180.0 OMEGA 13 13 A 13 ASP CA A 13 ASP C A 14 VAL N A 14 VAL CA 1.0 178.0 180.0 OMEGA 14 14 A 14 VAL CA A 14 VAL C A 15 TYR N A 15 TYR CA 1.0 178.0 180.0 OMEGA 15 15 A 15 TYR CA A 15 TYR C A 16 ASP N A 16 ASP CA 1.0 178.0 180.0 OMEGA 16 16 A 16 ASP CA A 16 ASP C A 17 LYS N A 17 LYS CA 1.0 178.0 180.0 OMEGA 17 17 A 17 LYS CA A 17 LYS C A 18 VAL N A 18 VAL CA 1.0 178.0 180.0 OMEGA 18 18 A 18 VAL CA A 18 VAL C A 19 LYS N A 19 LYS CA 1.0 178.0 180.0 OMEGA 19 19 A 19 LYS CA A 19 LYS C A 20 GLU N A 20 GLU CA 1.0 178.0 180.0 OMEGA 20 20 A 1 GLU H A 1 GLU N A 1 GLU CA A 1 GLU HA 1.0 -100.0 -40.0 . 21 21 A 2 SER H A 2 SER N A 2 SER CA A 2 SER HA 1.0 -100.0 -40.0 . 22 22 A 8 ASP H A 8 ASP N A 8 ASP CA A 8 ASP HA 1.0 -100.0 -40.0 . stop_ save_