data_nef_c19250_2m8f 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 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 GLY N 1 9 ASP CG 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 GLY start . false 2 A 2 PRO middle . false 3 A 3 THR middle . . 4 A 4 PRO middle . false 5 A 5 MET middle . . 6 A 6 VAL middle . . 7 A 7 GLY middle . false 8 A 8 LEU middle . . 9 A 9 ASP middle . . 10 A 10 SER middle . . 11 A 11 VAL middle . . 12 A 12 SER middle . . 13 A 13 GLY middle . false 14 A 14 GLN middle . . 15 A 15 TYR middle . . 16 A 16 TRP middle . . 17 A 17 ASP middle . . 18 A 18 GLN middle . . 19 A 19 HIS middle . . 20 A 20 ALA middle . . 21 A 21 PRO middle . false 22 A 22 LEU middle . . 23 A 23 ALA middle . . 24 A 24 ASP 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 GLY H1 H 1 7.48 0.03 A 1 GLY HAx H 1 3.96 0.02 A 1 GLY HAy H 1 4.00 0.02 A 2 PRO HA H 1 4.44 0.04 A 2 PRO HBx H 1 2.09 0.02 A 2 PRO HBy H 1 2.23 0.03 A 2 PRO HD2 H 1 3.70 0.03 A 2 PRO HD3 H 1 3.70 0.03 A 2 PRO HGx H 1 1.91 0.04 A 2 PRO HGy H 1 1.97 0.05 A 3 THR H H 1 7.82 0.02 A 3 THR HA H 1 4.63 0.02 A 3 THR HB H 1 4.23 0.03 A 3 THR HG1 H 1 4.97 0.03 A 3 THR HG2% H 1 1.07 0.03 A 4 PRO HA H 1 4.44 0.04 A 4 PRO HB2 H 1 2.09 0.05 A 4 PRO HB3 H 1 2.09 0.05 A 4 PRO HD2 H 1 3.79 0.04 A 4 PRO HD3 H 1 3.79 0.04 A 4 PRO HGx H 1 1.87 0.03 A 4 PRO HGy H 1 1.97 0.04 A 5 MET H H 1 7.93 0.03 A 5 MET HA H 1 4.50 0.03 A 5 MET HB2 H 1 1.84 0.02 A 5 MET HB3 H 1 1.84 0.02 A 5 MET HE% H 1 1.69 0.03 A 5 MET HG2 H 1 2.28 0.03 A 5 MET HG3 H 1 2.28 0.03 A 6 VAL H H 1 8.35 0.03 A 6 VAL HA H 1 4.13 0.03 A 6 VAL HB H 1 1.95 0.04 A 6 VAL HG1% H 1 0.93 0.04 A 6 VAL HG2% H 1 0.93 0.04 A 7 GLY H H 1 7.21 0.04 A 7 GLY HAx H 1 3.59 0.02 A 7 GLY HAy H 1 3.70 0.02 A 8 LEU HA H 1 4.46 0.04 A 8 LEU HBx H 1 1.33 0.03 A 8 LEU HBy H 1 1.56 0.05 A 8 LEU HD1% H 1 0.84 0.04 A 8 LEU HD2% H 1 0.84 0.04 A 8 LEU HG H 1 1.43 0.03 A 9 ASP H H 1 8.02 0.03 A 9 ASP HA H 1 4.45 0.05 A 9 ASP HBy H 1 3.16 0.04 A 9 ASP HBx H 1 2.74 0.04 A 10 SER H H 1 7.33 0.03 A 10 SER HA H 1 4.22 0.04 A 10 SER HB2 H 1 3.41 0.02 A 10 SER HB3 H 1 3.41 0.02 A 11 VAL H H 1 8.37 0.05 A 11 VAL HA H 1 4.03 0.04 A 11 VAL HB H 1 2.05 0.05 A 11 VAL HG1% H 1 0.92 0.04 A 11 VAL HG2% H 1 0.92 0.04 A 12 SER H H 1 7.37 0.03 A 12 SER HA H 1 4.21 0.03 A 12 SER HBx H 1 3.49 0.03 A 12 SER HBy H 1 3.66 0.06 A 13 GLY H H 1 8.15 0.03 A 13 GLY HAx H 1 3.79 0.06 A 13 GLY HAy H 1 4.13 0.03 A 14 GLN HA H 1 4.34 0.04 A 14 GLN HBx H 1 1.57 0.03 A 14 GLN HBy H 1 1.69 0.05 A 14 GLN HE2y H 1 6.95 0.04 A 14 GLN HE2x H 1 6.51 0.03 A 14 GLN HG2 H 1 2.23 0.04 A 14 GLN HG3 H 1 2.23 0.04 A 15 TYR H H 1 7.18 0.03 A 15 TYR HA H 1 4.89 0.04 A 15 TYR HBx H 1 1.92 0.04 A 15 TYR HBy H 1 1.99 0.03 A 15 TYR HDx H 1 6.77 0.02 A 15 TYR HDy H 1 6.77 0.02 A 15 TYR HEx H 1 6.77 0.02 A 15 TYR HEy H 1 6.77 0.02 A 15 TYR HH H 1 8.92 0.06 A 16 TRP H H 1 8.19 0.04 A 16 TRP HA H 1 4.44 0.03 A 16 TRP HBx H 1 2.93 0.04 A 16 TRP HBy H 1 3.46 0.03 A 16 TRP HD1 H 1 7.31 0.02 A 16 TRP HE3 H 1 7.81 0.03 A 16 TRP HH2 H 1 7.02 0.04 A 16 TRP HZ2 H 1 7.27 0.03 A 16 TRP HZ3 H 1 6.95 0.04 A 17 ASP H H 1 7.56 0.03 A 17 ASP HA H 1 4.50 0.02 A 17 ASP HBx H 1 2.72 0.05 A 17 ASP HBy H 1 2.82 0.05 A 18 GLN H H 1 7.62 0.04 A 18 GLN HA H 1 3.95 0.03 A 18 GLN HBx H 1 1.72 0.03 A 18 GLN HBy H 1 1.77 0.04 A 18 GLN HE2y H 1 7.36 0.04 A 18 GLN HE2x H 1 7.00 0.04 A 18 GLN HG2 H 1 2.04 0.04 A 18 GLN HG3 H 1 2.04 0.04 A 19 HIS H H 1 8.09 0.04 A 19 HIS HA H 1 4.54 0.03 A 19 HIS HB2 H 1 3.00 0.06 A 19 HIS HB3 H 1 3.00 0.06 A 19 HIS HD1 H 1 10.80 0.03 A 19 HIS HD2 H 1 7.02 0.02 A 19 HIS HE1 H 1 7.32 0.05 A 20 ALA H H 1 8.23 0.04 A 20 ALA HA H 1 4.48 0.04 A 20 ALA HB% H 1 1.23 0.04 A 21 PRO HA H 1 4.35 0.02 A 21 PRO HB2 H 1 2.03 0.03 A 21 PRO HB3 H 1 2.03 0.03 A 21 PRO HD2 H 1 3.56 0.05 A 21 PRO HD3 H 1 3.56 0.05 A 21 PRO HG2 H 1 1.87 0.04 A 21 PRO HG3 H 1 1.87 0.04 A 22 LEU H H 1 7.89 0.02 A 22 LEU HA H 1 4.25 0.02 A 22 LEU HB2 H 1 1.46 0.05 A 22 LEU HB3 H 1 1.46 0.05 A 22 LEU HD1% H 1 0.85 0.03 A 22 LEU HD2% H 1 0.85 0.03 A 22 LEU HG H 1 1.62 0.03 A 23 ALA H H 1 7.88 0.03 A 23 ALA HA H 1 4.26 0.02 A 23 ALA HB% H 1 1.21 0.03 A 24 ASP H H 1 8.13 0.02 A 24 ASP HA H 1 4.52 0.02 A 24 ASP HBx H 1 2.60 0.03 A 24 ASP HBy H 1 2.67 0.02 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-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 19 HIS HD1 A 18 GLN HG2 1.0 . 4.18 2 1 A 18 GLN HG3 A 19 HIS HD1 1.0 . 4.18 3 2 A 19 HIS HD1 A 18 GLN HA 1.0 . 3.93 4 3 A 19 HIS HD1 A 18 GLN HBx 1.0 . 4.31 5 4 A 19 HIS HD1 A 18 GLN HBy 1.0 . 3.63 6 5 A 19 HIS HD1 A 8 LEU HG 1.0 . 5.45 7 6 A 12 SER H A 11 VAL H 1.0 . 2.46 8 7 A 11 VAL H A 10 SER HA 1.0 . 3.51 9 8 A 6 VAL H A 5 MET HG2 1.0 . 4.62 10 8 A 5 MET HG3 A 6 VAL H 1.0 . 4.62 11 9 A 6 VAL H A 20 ALA HB% 1.0 . 8.14 12 10 A 6 VAL H A 5 MET HE% 1.0 . 4.92 13 11 A 6 VAL H A 5 MET HB2 1.0 . 4.03 14 11 A 6 VAL H A 5 MET HB3 1.0 . 4.03 15 12 A 6 VAL H A 5 MET HA 1.0 . 3.17 16 13 A 18 GLN HA A 20 ALA H 1.0 . 3.85 17 14 A 20 ALA H A 19 HIS HA 1.0 . 3.31 18 15 A 20 ALA H A 19 HIS HB2 1.0 . 4.20 19 15 A 20 ALA H A 19 HIS HB3 1.0 . 4.20 20 16 A 16 TRP HZ3 A 16 TRP H 1.0 . 5.77 21 17 A 16 TRP H A 15 TYR HA 1.0 . 2.43 22 18 A 16 TRP H A 5 MET HG2 1.0 . 6.16 23 18 A 5 MET HG3 A 16 TRP H 1.0 . 6.16 24 19 A 16 TRP H A 17 ASP HBy 1.0 . 6.00 25 20 A 12 SER H A 13 GLY H 1.0 . 2.58 26 21 A 13 GLY H A 12 SER HA 1.0 . 2.50 27 22 A 13 GLY H A 12 SER HBy 1.0 . 4.66 28 23 A 23 ALA H A 24 ASP H 1.0 . 2.54 29 24 A 13 GLY H A 1 GLY H1 1.0 . 4.10 30 25 A 24 ASP H A 23 ALA HB% 1.0 . 4.25 31 26 A 24 ASP H A 23 ALA HA 1.0 . 2.96 32 27 A 18 GLN HBy A 19 HIS H 1.0 . 3.38 33 28 A 18 GLN HBx A 19 HIS H 1.0 . 3.44 34 29 A 19 HIS H A 18 GLN HG2 1.0 . 3.83 35 29 A 18 GLN HG3 A 19 HIS H 1.0 . 3.83 36 30 A 19 HIS H A 18 GLN H 1.0 . 4.64 37 31 A 18 GLN HA A 19 HIS H 1.0 . 2.23 38 32 A 8 LEU HG A 9 ASP H 1.0 . 4.16 39 33 A 9 ASP H A 8 LEU HBy 1.0 . 4.45 40 34 A 1 GLY H1 A 9 ASP H 1.0 . 2.99 41 35 A 9 ASP H A 8 LEU HD1% 1.0 . 4.82 42 35 A 9 ASP H A 8 LEU HD2% 1.0 . 4.82 43 36 A 18 GLN H A 9 ASP H 1.0 . 4.70 44 37 A 9 ASP H A 8 LEU HBx 1.0 . 3.82 45 38 A 5 MET H A 22 LEU HB2 1.0 . 5.86 46 38 A 22 LEU HB3 A 5 MET H 1.0 . 5.86 47 39 A 15 TYR HA A 5 MET H 1.0 . 4.55 48 40 A 5 MET H A 3 THR HG2% 1.0 . 3.82 49 41 A 5 MET H A 16 TRP HBy 1.0 . 3.48 50 42 A 23 ALA HB% A 5 MET H 1.0 . 6.35 51 43 A 22 LEU H A 21 PRO HB2 1.0 . 4.11 52 43 A 21 PRO HB3 A 22 LEU H 1.0 . 4.11 53 44 A 23 ALA H A 1 GLY H1 1.0 . 8.86 54 45 A 23 ALA H A 18 GLN H 1.0 . 5.89 55 46 A 15 TYR HBx A 3 THR H 1.0 . 3.21 56 47 A 3 THR H A 15 TYR HBy 1.0 . 3.27 57 48 A 16 TRP HBy A 3 THR H 1.0 . 4.69 58 49 A 18 GLN H A 16 TRP HE3 1.0 . 4.50 59 50 A 16 TRP HE3 A 5 MET HG2 1.0 . 4.72 60 50 A 5 MET HG3 A 16 TRP HE3 1.0 . 4.72 61 51 A 5 MET HE% A 16 TRP HE3 1.0 . 6.89 62 52 A 16 TRP HE3 A 5 MET HB2 1.0 . 4.91 63 52 A 5 MET HB3 A 16 TRP HE3 1.0 . 4.91 64 53 A 1 GLY H1 A 16 TRP HE3 1.0 . 4.83 65 54 A 17 ASP HBy A 18 GLN H 1.0 . 3.80 66 55 A 18 GLN H A 17 ASP HBx 1.0 . 4.24 67 56 A 18 GLN H A 17 ASP HA 1.0 . 2.90 68 57 A 16 TRP HA A 17 ASP H 1.0 . 2.22 69 58 A 16 TRP HBy A 17 ASP H 1.0 . 3.79 70 59 A 1 GLY H1 A 9 ASP HBy 1.0 . 2.49 71 60 A 1 GLY H1 A 9 ASP HBx 1.0 . 3.45 72 61 A 1 GLY H1 A 7 GLY HAy 1.0 . 5.90 73 62 A 1 GLY H1 A 8 LEU HBy 1.0 . 4.05 74 63 A 12 SER H A 11 VAL HA 1.0 . 3.16 75 64 A 12 SER H A 11 VAL HG1% 1.0 . 3.93 76 64 A 12 SER H A 11 VAL HG2% 1.0 . 3.93 77 65 A 12 SER H A 9 ASP HBx 1.0 . 3.19 78 66 A 12 SER H A 11 VAL HB 1.0 . 2.65 79 67 A 18 GLN HE2y A 18 GLN HG2 1.0 . 3.00 80 67 A 18 GLN HG3 A 18 GLN HE2y 1.0 . 3.00 81 68 A 16 TRP HA A 18 GLN HE2y 1.0 . 7.23 82 69 A 3 THR HG2% A 16 TRP HD1 1.0 . 3.73 83 70 A 16 TRP HD1 A 18 GLN HG2 1.0 . 5.59 84 70 A 18 GLN HG3 A 16 TRP HD1 1.0 . 5.59 85 71 A 18 GLN HBx A 16 TRP HD1 1.0 . 3.83 86 72 A 18 GLN HBy A 16 TRP HD1 1.0 . 3.30 87 73 A 16 TRP HA A 7 GLY H 1.0 . 3.10 88 74 A 7 GLY H A 6 VAL HA 1.0 . 2.19 89 75 A 7 GLY H A 6 VAL HG1% 1.0 . 3.65 90 75 A 7 GLY H A 6 VAL HG2% 1.0 . 3.65 91 76 A 16 TRP HBx A 15 TYR H 1.0 . 4.95 92 77 A 19 HIS HD2 A 18 GLN HG2 1.0 . 5.60 93 77 A 18 GLN HG3 A 19 HIS HD2 1.0 . 5.60 94 78 A 3 THR HG2% A 14 GLN HE2y 1.0 . 4.65 95 79 A 16 TRP HZ3 A 6 VAL HG1% 1.0 . 4.89 96 79 A 16 TRP HZ3 A 6 VAL HG2% 1.0 . 4.89 97 80 A 6 VAL HA A 14 GLN HE2y 1.0 . 5.44 98 81 A 15 TYR HBy A 14 GLN HE2y 1.0 . 4.32 99 82 A 15 TYR HA A 14 GLN HE2y 1.0 . 3.82 100 83 A 15 TYR HBy A 14 GLN HE2x 1.0 . 3.87 101 84 A 15 TYR HBx A 14 GLN HE2x 1.0 . 4.00 102 85 A 14 GLN HE2x A 6 VAL HG1% 1.0 . 5.61 103 85 A 6 VAL HG2% A 14 GLN HE2x 1.0 . 5.61 104 86 A 15 TYR HA A 6 VAL HA 1.0 . 2.91 105 87 A 4 PRO HGx A 3 THR HA 1.0 . 4.54 106 88 A 3 THR HA A 4 PRO HGy 1.0 . 4.49 107 89 A 3 THR HA A 2 PRO HD2 1.0 . 6.79 108 89 A 3 THR HA A 2 PRO HD3 1.0 . 6.79 109 90 A 3 THR HA A 4 PRO HD2 1.0 . 2.45 110 90 A 3 THR HA A 4 PRO HD3 1.0 . 2.45 111 91 A 5 MET HA A 6 VAL HA 1.0 . 4.86 112 92 A 20 ALA HA A 21 PRO HD2 1.0 . 2.30 113 92 A 21 PRO HD3 A 20 ALA HA 1.0 . 2.30 114 93 A 16 TRP HBy A 3 THR HB 1.0 . 2.39 115 94 A 17 ASP HBy A 1 GLY HAx 1.0 . 4.73 116 95 A 17 ASP HBx A 1 GLY HAx 1.0 . 3.53 117 96 A 1 GLY HAx A 2 PRO HD2 1.0 . 2.37 118 96 A 2 PRO HD3 A 1 GLY HAx 1.0 . 2.37 119 97 A 14 GLN HBx A 13 GLY HAy 1.0 . 3.92 120 98 A 3 THR HG2% A 4 PRO HD2 1.0 . 3.98 121 98 A 3 THR HG2% A 4 PRO HD3 1.0 . 3.98 122 99 A 13 GLY HAy A 14 GLN HBy 1.0 . 5.05 123 100 A 7 GLY HAy A 6 VAL HG1% 1.0 . 4.39 124 100 A 7 GLY HAy A 6 VAL HG2% 1.0 . 4.39 125 101 A 20 ALA HB% A 21 PRO HD2 1.0 . 3.36 126 101 A 20 ALA HB% A 21 PRO HD3 1.0 . 3.36 127 102 A 5 MET HE% A 16 TRP HBy 1.0 . 3.62 128 103 A 16 TRP HBy A 5 MET HB2 1.0 . 3.49 129 103 A 5 MET HB3 A 16 TRP HBy 1.0 . 3.49 130 104 A 16 TRP HBy A 5 MET HG2 1.0 . 3.06 131 104 A 5 MET HG3 A 16 TRP HBy 1.0 . 3.06 132 105 A 3 THR HG2% A 16 TRP HBy 1.0 . 3.32 133 106 A 8 LEU HBx A 16 TRP HBy 1.0 . 5.11 134 107 A 3 THR HG2% A 5 MET HG2 1.0 . 4.09 135 107 A 5 MET HG3 A 3 THR HG2% 1.0 . 4.09 136 108 A 15 TYR HBx A 14 GLN HBy 1.0 . 3.54 137 109 A 5 MET HE% A 4 PRO HGx 1.0 . 2.62 138 110 A 14 GLN HBy A 2 PRO HGy 1.0 . 5.11 139 111 A 8 LEU HBy A 14 GLN HBx 1.0 . 8.64 140 112 A 5 MET HE% A 3 THR HG2% 1.0 . 5.26 141 113 A 23 ALA HB% A 3 THR HG2% 1.0 . 4.27 142 114 A 14 GLN HE2y A 12 SER HBx 1.0 . 6.77 143 115 A 18 GLN HBy A 3 THR HA 1.0 . 8.12 144 116 A 20 ALA HB% A 19 HIS NE2 1.0 . 4.69 145 117 A 16 TRP HD1 A 3 THR HB 1.0 . 3.12 146 118 A 9 ASP HBy A 7 GLY H 1.0 . 4.05 147 119 A 16 TRP HZ3 A 9 ASP HBy 1.0 . 6.45 148 120 A 9 ASP H A 16 TRP HE3 1.0 . 4.05 149 121 A 22 LEU H A 21 PRO HG2 1.0 . 2.23 150 121 A 22 LEU H A 21 PRO HG3 1.0 . 2.23 151 122 A 6 VAL H A 6 VAL HA 1.0 . 2.93 152 123 A 11 VAL H A 11 VAL HA 1.0 . 3.20 153 124 A 11 VAL H A 11 VAL HB 1.0 . 3.15 154 125 A 6 VAL H A 6 VAL HB 1.0 . 3.35 155 126 A 16 TRP H A 16 TRP HBx 1.0 . 3.33 156 127 A 16 TRP H A 16 TRP HA 1.0 . 3.01 157 128 A 16 TRP H A 16 TRP HBy 1.0 . 3.86 158 129 A 13 GLY H A 13 GLY HAx 1.0 . 2.85 159 130 A 13 GLY H A 13 GLY HAy 1.0 . 2.65 160 131 A 24 ASP H A 24 ASP HA 1.0 . 3.04 161 132 A 19 HIS HA A 19 HIS H 1.0 . 2.84 162 133 A 19 HIS H A 19 HIS HB2 1.0 . 3.03 163 133 A 19 HIS HB3 A 19 HIS H 1.0 . 3.03 164 134 A 9 ASP H A 9 ASP HA 1.0 . 2.63 165 135 A 9 ASP H A 9 ASP HBy 1.0 . 2.71 166 136 A 9 ASP H A 9 ASP HBx 1.0 . 3.52 167 137 A 5 MET H A 5 MET HG2 1.0 . 4.67 168 137 A 5 MET HG3 A 5 MET H 1.0 . 4.67 169 138 A 5 MET HA A 5 MET H 1.0 . 2.74 170 139 A 5 MET H A 5 MET HB2 1.0 . 3.67 171 139 A 5 MET HB3 A 5 MET H 1.0 . 3.67 172 140 A 5 MET HE% A 5 MET H 1.0 . 5.19 173 141 A 22 LEU H A 22 LEU HG 1.0 . 3.17 174 142 A 22 LEU H A 22 LEU HD1% 1.0 . 5.61 175 142 A 22 LEU H A 22 LEU HD2% 1.0 . 5.61 176 143 A 22 LEU H A 22 LEU HB2 1.0 . 2.90 177 143 A 22 LEU HB3 A 22 LEU H 1.0 . 2.90 178 144 A 3 THR H A 3 THR HA 1.0 . 2.87 179 145 A 16 TRP HE3 A 16 TRP HA 1.0 . 2.36 180 146 A 3 THR H A 3 THR HB 1.0 . 3.24 181 147 A 16 TRP HZ3 A 16 TRP HE3 1.0 . 2.34 182 148 A 16 TRP HBy A 16 TRP HE3 1.0 . 4.20 183 149 A 18 GLN HA A 18 GLN H 1.0 . 2.75 184 150 A 18 GLN HBy A 18 GLN H 1.0 . 2.84 185 151 A 18 GLN HBx A 18 GLN H 1.0 . 2.82 186 152 A 18 GLN H A 18 GLN HG2 1.0 . 4.39 187 152 A 18 GLN HG3 A 18 GLN H 1.0 . 4.39 188 153 A 17 ASP HBy A 17 ASP H 1.0 . 3.05 189 154 A 17 ASP HBx A 17 ASP H 1.0 . 2.84 190 155 A 1 GLY H1 A 1 GLY HAy 1.0 . 3.55 191 156 A 1 GLY H1 A 1 GLY HAx 1.0 . 3.10 192 157 A 16 TRP HA A 16 TRP HD1 1.0 . 4.54 193 158 A 18 GLN HA A 18 GLN HE2y 1.0 . 4.91 194 159 A 12 SER H A 12 SER HA 1.0 . 2.73 195 160 A 18 GLN HE2y A 18 GLN HE2x 1.0 . 1.78 196 161 A 19 HIS HE1 A 19 HIS HB2 1.0 . 5.04 197 161 A 19 HIS HB3 A 19 HIS HE1 1.0 . 5.04 198 162 A 16 TRP HBy A 16 TRP HD1 1.0 . 2.79 199 163 A 16 TRP HH2 A 16 TRP HZ2 1.0 . 2.46 200 164 A 15 TYR HA A 15 TYR H 1.0 . 2.76 201 165 A 7 GLY H A 7 GLY HAx 1.0 . 3.00 202 166 A 7 GLY HAy A 7 GLY H 1.0 . 3.26 203 167 A 15 TYR HBy A 15 TYR H 1.0 . 3.91 204 168 A 14 GLN HE2y A 14 GLN HA 1.0 . 2.99 205 169 A 18 GLN HE2x A 18 GLN HG2 1.0 . 3.67 206 169 A 18 GLN HG3 A 18 GLN HE2x 1.0 . 3.67 207 170 A 18 GLN HA A 18 GLN HE2x 1.0 . 5.61 208 171 A 14 GLN HE2y A 14 GLN HBx 1.0 . 4.11 209 172 A 16 TRP HZ3 A 16 TRP HBy 1.0 . 6.43 210 173 A 15 TYR HBx A 15 TYR H 1.0 . 3.23 211 174 A 14 GLN HE2y A 14 GLN HBy 1.0 . 3.49 212 175 A 15 TYR H A 15 TYR HE% 1.0 . 5.56 213 175 A 15 TYR H A 15 TYR HD% 1.0 . 5.56 214 176 A 16 TRP HZ3 A 16 TRP HA 1.0 . 4.14 215 177 A 15 TYR HBy A 15 TYR HE% 1.0 . 4.87 216 177 A 15 TYR HBy A 15 TYR HD% 1.0 . 4.87 217 178 A 15 TYR HBx A 15 TYR HE% 1.0 . 5.38 218 178 A 15 TYR HBx A 15 TYR HD% 1.0 . 5.38 219 179 A 14 GLN HE2x A 14 GLN HA 1.0 . 3.37 220 180 A 3 THR HA A 3 THR HB 1.0 . 2.89 221 181 A 14 GLN HE2x A 14 GLN HBx 1.0 . 4.73 222 182 A 14 GLN HE2x A 14 GLN HG2 1.0 . 4.35 223 182 A 14 GLN HE2x A 14 GLN HG3 1.0 . 4.35 224 183 A 3 THR HB A 3 THR HG1 1.0 . 3.35 225 184 A 19 HIS HA A 19 HIS HB2 1.0 . 2.46 226 184 A 19 HIS HA A 19 HIS HB3 1.0 . 2.46 227 185 A 5 MET HE% A 5 MET HA 1.0 . 4.36 228 186 A 5 MET HA A 5 MET HG2 1.0 . 3.25 229 186 A 5 MET HG3 A 5 MET HA 1.0 . 3.25 230 187 A 8 LEU HBy A 8 LEU HA 1.0 . 2.82 231 188 A 8 LEU HA A 8 LEU HD1% 1.0 . 3.13 232 188 A 8 LEU HD2% A 8 LEU HA 1.0 . 3.13 233 189 A 8 LEU HG A 8 LEU HA 1.0 . 3.63 234 190 A 8 LEU HBx A 8 LEU HA 1.0 . 2.77 235 191 A 9 ASP HBx A 9 ASP HA 1.0 . 2.49 236 192 A 9 ASP HBy A 9 ASP HA 1.0 . 2.67 237 193 A 16 TRP HBy A 16 TRP HA 1.0 . 2.99 238 194 A 14 GLN HBx A 14 GLN HA 1.0 . 2.40 239 195 A 21 PRO HA A 21 PRO HB2 1.0 . 2.78 240 195 A 21 PRO HB3 A 21 PRO HA 1.0 . 2.78 241 196 A 21 PRO HA A 21 PRO HG2 1.0 . 3.84 242 196 A 21 PRO HG3 A 21 PRO HA 1.0 . 3.84 243 197 A 14 GLN HBy A 14 GLN HA 1.0 . 2.64 244 198 A 22 LEU HA A 22 LEU HD1% 1.0 . 3.89 245 198 A 22 LEU HD2% A 22 LEU HA 1.0 . 3.89 246 199 A 6 VAL HA A 6 VAL HG1% 1.0 . 3.05 247 199 A 6 VAL HA A 6 VAL HG2% 1.0 . 3.05 248 200 A 6 VAL HA A 6 VAL HB 1.0 . 2.57 249 201 A 11 VAL HA A 11 VAL HB 1.0 . 3.02 250 202 A 11 VAL H A 11 VAL HG1% 1.0 . 4.06 251 202 A 11 VAL H A 11 VAL HG2% 1.0 . 4.06 252 203 A 18 GLN HA A 18 GLN HBy 1.0 . 3.02 253 204 A 18 GLN HA A 18 GLN HG2 1.0 . 2.72 254 204 A 18 GLN HG3 A 18 GLN HA 1.0 . 2.72 255 205 A 18 GLN HA A 18 GLN HBx 1.0 . 2.69 256 206 A 4 PRO HGy A 4 PRO HD2 1.0 . 2.99 257 206 A 4 PRO HGy A 4 PRO HD3 1.0 . 2.99 258 207 A 4 PRO HGx A 4 PRO HD2 1.0 . 2.85 259 207 A 4 PRO HGx A 4 PRO HD3 1.0 . 2.85 260 208 A 2 PRO HGx A 2 PRO HD2 1.0 . 2.57 261 208 A 2 PRO HD3 A 2 PRO HGx 1.0 . 2.57 262 209 A 2 PRO HGy A 2 PRO HD2 1.0 . 2.58 263 209 A 2 PRO HD3 A 2 PRO HGy 1.0 . 2.58 264 210 A 9 ASP HBy A 9 ASP HBx 1.0 . 1.92 265 211 A 5 MET HB3 A 5 MET HG2 1.0 . 3.30 266 211 A 5 MET HB2 A 5 MET HG2 1.0 . 3.30 267 211 A 5 MET HG3 A 5 MET HB2 1.0 . 3.30 268 211 A 5 MET HG3 A 5 MET HB3 1.0 . 3.30 269 212 A 11 VAL HB A 11 VAL HG1% 1.0 . 2.81 270 212 A 11 VAL HG2% A 11 VAL HB 1.0 . 2.81 271 213 A 6 VAL HB A 6 VAL HG1% 1.0 . 2.81 272 213 A 6 VAL HG2% A 6 VAL HB 1.0 . 2.81 stop_ save_ save_DYANA/DIANA_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_4 _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 2 PRO C A 3 THR N A 3 THR CA A 3 THR C 1.0 -150.0 -90.0 PHI 2 2 A 4 PRO C A 5 MET N A 5 MET CA A 5 MET C 1.0 -150.0 -90.0 PHI 3 3 A 5 MET C A 6 VAL N A 6 VAL CA A 6 VAL C 1.0 -150.0 -90.0 PHI 4 4 A 11 VAL C A 12 SER N A 12 SER CA A 12 SER C 1.0 -150.0 -90.0 PHI 5 5 A 16 TRP C A 17 ASP N A 17 ASP CA A 17 ASP C 1.0 -150.0 -90.0 PHI 6 6 A 17 ASP C A 18 GLN N A 18 GLN CA A 18 GLN C 1.0 -150.0 -90.0 PHI 7 7 A 18 GLN C A 19 HIS N A 19 HIS CA A 19 HIS C 1.0 -150.0 -90.0 PHI 8 8 A 19 HIS C A 20 ALA N A 20 ALA CA A 20 ALA C 1.0 -150.0 -90.0 PHI 9 9 A 21 PRO C A 22 LEU N A 22 LEU CA A 22 LEU C 1.0 -150.0 -90.0 PHI 10 10 A 22 LEU C A 23 ALA N A 23 ALA CA A 23 ALA C 1.0 -150.0 -90.0 PHI 11 11 A 23 ALA C A 24 ASP N A 24 ASP CA A 24 ASP C 1.0 -150.0 -90.0 PHI stop_ save_