################################ # Residual dipolar couplings # ################################ save_RDC_list_1 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDC_list_1 _RDC_list.Entry_ID 17451 _RDC_list.ID 1 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_conditions_1 _RDC_list.Spectrometer_frequency_1H 600.13 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details . _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 14 '2D 1H-15N IPAP HSQC' . . . 17451 1 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 DHN . 1 1 20 20 VAL N N 15 . . 1 1 20 20 VAL H H 1 . -17.2 . . . . . . . 76 VAL N . 76 VAL HN 17451 1 2 DHN . 1 1 21 21 VAL N N 15 . . 1 1 21 21 VAL H H 1 . -15.2 . . . . . . . 77 VAL N . 77 VAL HN 17451 1 3 DHN . 1 1 22 22 GLY N N 15 . . 1 1 22 22 GLY H H 1 . -15.1 . . . . . . . 78 GLY N . 78 GLY HN 17451 1 4 DHN . 1 1 23 23 VAL N N 15 . . 1 1 23 23 VAL H H 1 . -20.0 . . . . . . . 79 VAL N . 79 VAL HN 17451 1 5 DHN . 1 1 25 25 GLU N N 15 . . 1 1 25 25 GLU H H 1 . -16.6 . . . . . . . 81 GLU N . 81 GLU HN 17451 1 6 DHN . 1 1 26 26 SER N N 15 . . 1 1 26 26 SER H H 1 . -18.0 . . . . . . . 82 SER N . 82 SER HN 17451 1 7 DHN . 1 1 28 28 ILE N N 15 . . 1 1 28 28 ILE H H 1 . -17.0 . . . . . . . 84 ILE N . 84 ILE HN 17451 1 8 DHN . 1 1 37 37 GLN N N 15 . . 1 1 37 37 GLN H H 1 . 15.1 . . . . . . . 93 GLN N . 93 GLN HN 17451 1 9 DHN . 1 1 38 38 SER N N 15 . . 1 1 38 38 SER H H 1 . -4.2 . . . . . . . 94 SER N . 94 SER HN 17451 1 10 DHN . 1 1 39 39 ALA N N 15 . . 1 1 39 39 ALA H H 1 . -4.6 . . . . . . . 95 ALA N . 95 ALA HN 17451 1 11 DHN . 1 1 40 40 CYS N N 15 . . 1 1 40 40 CYS H H 1 . 15.9 . . . . . . . 96 CYS N . 96 CYS HN 17451 1 12 DHN . 1 1 42 42 ALA N N 15 . . 1 1 42 42 ALA H H 1 . -4.3 . . . . . . . 98 ALA N . 98 ALA HN 17451 1 13 DHN . 1 1 45 45 LYS N N 15 . . 1 1 45 45 LYS H H 1 . 4.8 . . . . . . . 101 LYS N . 101 LYS HN 17451 1 14 DHN . 1 1 46 46 LEU N N 15 . . 1 1 46 46 LEU H H 1 . -1.3 . . . . . . . 102 LEU N . 102 LEU HN 17451 1 15 DHN . 1 1 52 52 SER N N 15 . . 1 1 52 52 SER H H 1 . 2.9 . . . . . . . 108 SER N . 108 SER HN 17451 1 16 DHN . 1 1 53 53 ASP N N 15 . . 1 1 53 53 ASP H H 1 . 7.6 . . . . . . . 109 ASP N . 109 ASP HN 17451 1 17 DHN . 1 1 54 54 ASP N N 15 . . 1 1 54 54 ASP H H 1 . 33.0 . . . . . . . 110 ASP N . 110 ASP HN 17451 1 18 DHN . 1 1 55 55 ILE N N 15 . . 1 1 55 55 ILE H H 1 . 7.7 . . . . . . . 111 ILE N . 111 ILE HN 17451 1 19 DHN . 1 1 57 57 LYS N N 15 . . 1 1 57 57 LYS H H 1 . 19.2 . . . . . . . 113 LYS N . 113 LYS HN 17451 1 20 DHN . 1 1 58 58 LEU N N 15 . . 1 1 58 58 LEU H H 1 . 27.6 . . . . . . . 114 LEU N . 114 LEU HN 17451 1 21 DHN . 1 1 60 60 ASP N N 15 . . 1 1 60 60 ASP H H 1 . 9.6 . . . . . . . 116 ASP N . 116 ASP HN 17451 1 22 DHN . 1 1 62 62 GLU N N 15 . . 1 1 62 62 GLU H H 1 . -1.4 . . . . . . . 118 GLU N . 118 GLU HN 17451 1 23 DHN . 1 1 68 68 LYS N N 15 . . 1 1 68 68 LYS H H 1 . 23.6 . . . . . . . 124 LYS N . 124 LYS HN 17451 1 24 DHN . 1 1 69 69 ILE N N 15 . . 1 1 69 69 ILE H H 1 . 14.4 . . . . . . . 125 ILE N . 125 ILE HN 17451 1 25 DHN . 1 1 70 70 ARG N N 15 . . 1 1 70 70 ARG H H 1 . -3.0 . . . . . . . 126 ARG N . 126 ARG HN 17451 1 26 DHN . 1 1 71 71 VAL N N 15 . . 1 1 71 71 VAL H H 1 . 15.5 . . . . . . . 127 VAL N . 127 VAL HN 17451 1 27 DHN . 1 1 73 73 ASN N N 15 . . 1 1 73 73 ASN H H 1 . 6.4 . . . . . . . 129 ASN N . 129 ASN HN 17451 1 28 DHN . 1 1 74 74 THR N N 15 . . 1 1 74 74 THR H H 1 . -5.4 . . . . . . . 130 THR N . 130 THR HN 17451 1 29 DHN . 1 1 75 75 VAL N N 15 . . 1 1 75 75 VAL H H 1 . 13.7 . . . . . . . 131 VAL N . 131 VAL HN 17451 1 30 DHN . 1 1 77 77 SER N N 15 . . 1 1 77 77 SER H H 1 . -3.2 . . . . . . . 133 SER N . 133 SER HN 17451 1 31 DHN . 1 1 79 79 ILE N N 15 . . 1 1 79 79 ILE H H 1 . 20.5 . . . . . . . 135 ILE N . 135 ILE HN 17451 1 32 DHN . 1 1 80 80 GLU N N 15 . . 1 1 80 80 GLU H H 1 . 8.2 . . . . . . . 136 GLU N . 136 GLU HN 17451 1 33 DHN . 1 1 81 81 SER N N 15 . . 1 1 81 81 SER H H 1 . -7.6 . . . . . . . 137 SER N . 137 SER HN 17451 1 34 DHN . 1 1 82 82 ASN N N 15 . . 1 1 82 82 ASN H H 1 . 8.0 . . . . . . . 138 ASN N . 138 ASN HN 17451 1 35 DHN . 1 1 83 83 ARG N N 15 . . 1 1 83 83 ARG H H 1 . 25.3 . . . . . . . 139 ARG N . 139 ARG HN 17451 1 36 DHN . 1 1 84 84 LYS N N 15 . . 1 1 84 84 LYS H H 1 . -2.8 . . . . . . . 140 LYS N . 140 LYS HN 17451 1 37 DHN . 1 1 88 88 GLN N N 15 . . 1 1 88 88 GLN H H 1 . -15.0 . . . . . . . 144 GLN N . 144 GLN HN 17451 1 38 DHN . 1 1 89 89 THR N N 15 . . 1 1 89 89 THR H H 1 . -17.1 . . . . . . . 145 THR N . 145 THR HN 17451 1 39 DHN . 1 1 93 93 LEU N N 15 . . 1 1 93 93 LEU H H 1 . -13.7 . . . . . . . 149 LEU N . 149 LEU HN 17451 1 40 DHN . 1 1 95 95 ARG N N 15 . . 1 1 95 95 ARG H H 1 . -9.4 . . . . . . . 151 ARG N . 151 ARG HN 17451 1 41 DHN . 1 1 99 99 ASP N N 15 . . 1 1 99 99 ASP H H 1 . -10.9 . . . . . . . 155 ASP N . 155 ASP HN 17451 1 42 DHN . 1 1 100 100 VAL N N 15 . . 1 1 100 100 VAL H H 1 . 10.2 . . . . . . . 156 VAL N . 156 VAL HN 17451 1 43 DHN . 1 1 101 101 LEU N N 15 . . 1 1 101 101 LEU H H 1 . 8.5 . . . . . . . 157 LEU N . 157 LEU HN 17451 1 44 DHN . 1 1 102 102 LYS N N 15 . . 1 1 102 102 LYS H H 1 . -6.1 . . . . . . . 158 LYS N . 158 LYS HN 17451 1 45 DHN . 1 1 103 103 LYS N N 15 . . 1 1 103 103 LYS H H 1 . -10.6 . . . . . . . 159 LYS N . 159 LYS HN 17451 1 46 DHN . 1 1 104 104 THR N N 15 . . 1 1 104 104 THR H H 1 . 10.0 . . . . . . . 160 THR N . 160 THR HN 17451 1 47 DHN . 1 1 106 106 LYS N N 15 . . 1 1 106 106 LYS H H 1 . -12.3 . . . . . . . 162 LYS N . 162 LYS HN 17451 1 48 DHN . 1 1 107 107 ASN N N 15 . . 1 1 107 107 ASN H H 1 . -7.3 . . . . . . . 163 ASN N . 163 ASN HN 17451 1 49 DHN . 1 1 108 108 THR N N 15 . . 1 1 108 108 THR H H 1 . 12.5 . . . . . . . 164 THR N . 164 THR HN 17451 1 50 DHN . 1 1 109 109 LEU N N 15 . . 1 1 109 109 LEU H H 1 . -7.0 . . . . . . . 165 LEU N . 165 LEU HN 17451 1 51 DHN . 1 1 110 110 ASP N N 15 . . 1 1 110 110 ASP H H 1 . -12.4 . . . . . . . 166 ASP N . 166 ASP HN 17451 1 52 DHN . 1 1 112 112 HIS N N 15 . . 1 1 112 112 HIS H H 1 . 1.5 . . . . . . . 168 HIS N . 168 HIS HN 17451 1 53 DHN . 1 1 113 113 LYS N N 15 . . 1 1 113 113 LYS H H 1 . -11.1 . . . . . . . 169 LYS N . 169 LYS HN 17451 1 54 DHN . 1 1 114 114 SER N N 15 . . 1 1 114 114 SER H H 1 . -10.3 . . . . . . . 170 SER N . 170 SER HN 17451 1 55 DHN . 1 1 115 115 ILE N N 15 . . 1 1 115 115 ILE H H 1 . 10.7 . . . . . . . 171 ILE N . 171 ILE HN 17451 1 56 DHN . 1 1 116 116 THR N N 15 . . 1 1 116 116 THR H H 1 . -7.2 . . . . . . . 172 THR N . 172 THR HN 17451 1 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_RDC_list_2 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDC_list_2 _RDC_list.Entry_ID 17451 _RDC_list.ID 2 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_conditions_1 _RDC_list.Spectrometer_frequency_1H 600.13 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details . _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 15 '2D 1H-15N IPAP HSQC' . . . 17451 2 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 DHN . 1 1 20 20 VAL N N 15 . . 1 1 20 20 VAL H H 1 . -8.7 . . . . . . . 76 VAL N . 76 VAL HN 17451 2 2 DHN . 1 1 21 21 VAL N N 15 . . 1 1 21 21 VAL H H 1 . -6.2 . . . . . . . 77 VAL N . 77 VAL HN 17451 2 3 DHN . 1 1 23 23 VAL N N 15 . . 1 1 23 23 VAL H H 1 . -9.7 . . . . . . . 79 VAL N . 79 VAL HN 17451 2 4 DHN . 1 1 24 24 LEU N N 15 . . 1 1 24 24 LEU H H 1 . -8.9 . . . . . . . 80 LEU N . 80 LEU HN 17451 2 5 DHN . 1 1 25 25 GLU N N 15 . . 1 1 25 25 GLU H H 1 . -9.6 . . . . . . . 81 GLU N . 81 GLU HN 17451 2 6 DHN . 1 1 27 27 TYR N N 15 . . 1 1 27 27 TYR H H 1 . -9.9 . . . . . . . 83 TYR N . 83 TYR HN 17451 2 7 DHN . 1 1 28 28 ILE N N 15 . . 1 1 28 28 ILE H H 1 . -11.1 . . . . . . . 84 ILE N . 84 ILE HN 17451 2 8 DHN . 1 1 36 36 LYS N N 15 . . 1 1 36 36 LYS H H 1 . -2.0 . . . . . . . 92 LYS N . 92 LYS HN 17451 2 9 DHN . 1 1 37 37 GLN N N 15 . . 1 1 37 37 GLN H H 1 . 9.0 . . . . . . . 93 GLN N . 93 GLN HN 17451 2 10 DHN . 1 1 42 42 ALA N N 15 . . 1 1 42 42 ALA H H 1 . -1.0 . . . . . . . 98 ALA N . 98 ALA HN 17451 2 11 DHN . 1 1 45 45 LYS N N 15 . . 1 1 45 45 LYS H H 1 . 3.8 . . . . . . . 101 LYS N . 101 LYS HN 17451 2 12 DHN . 1 1 46 46 LEU N N 15 . . 1 1 46 46 LEU H H 1 . 3.3 . . . . . . . 102 LEU N . 102 LEU HN 17451 2 13 DHN . 1 1 47 47 LEU N N 15 . . 1 1 47 47 LEU H H 1 . 8.3 . . . . . . . 103 LEU N . 103 LEU HN 17451 2 14 DHN . 1 1 52 52 SER N N 15 . . 1 1 52 52 SER H H 1 . -5.9 . . . . . . . 108 SER N . 108 SER HN 17451 2 15 DHN . 1 1 53 53 ASP N N 15 . . 1 1 53 53 ASP H H 1 . -4.2 . . . . . . . 109 ASP N . 109 ASP HN 17451 2 16 DHN . 1 1 55 55 ILE N N 15 . . 1 1 55 55 ILE H H 1 . -0.1 . . . . . . . 111 ILE N . 111 ILE HN 17451 2 17 DHN . 1 1 56 56 LYS N N 15 . . 1 1 56 56 LYS H H 1 . -5.4 . . . . . . . 112 LYS N . 112 LYS HN 17451 2 18 DHN . 1 1 57 57 LYS N N 15 . . 1 1 57 57 LYS H H 1 . 2.6 . . . . . . . 113 LYS N . 113 LYS HN 17451 2 19 DHN . 1 1 60 60 ASP N N 15 . . 1 1 60 60 ASP H H 1 . -6.3 . . . . . . . 116 ASP N . 116 ASP HN 17451 2 20 DHN . 1 1 68 68 LYS N N 15 . . 1 1 68 68 LYS H H 1 . 8.5 . . . . . . . 124 LYS N . 124 LYS HN 17451 2 21 DHN . 1 1 69 69 ILE N N 15 . . 1 1 69 69 ILE H H 1 . -1.9 . . . . . . . 125 ILE N . 125 ILE HN 17451 2 22 DHN . 1 1 71 71 VAL N N 15 . . 1 1 71 71 VAL H H 1 . -1.7 . . . . . . . 127 VAL N . 127 VAL HN 17451 2 23 DHN . 1 1 72 72 TYR N N 15 . . 1 1 72 72 TYR H H 1 . 5.5 . . . . . . . 128 TYR N . 128 TYR HN 17451 2 24 DHN . 1 1 73 73 ASN N N 15 . . 1 1 73 73 ASN H H 1 . -5.6 . . . . . . . 129 ASN N . 129 ASN HN 17451 2 25 DHN . 1 1 75 75 VAL N N 15 . . 1 1 75 75 VAL H H 1 . -0.5 . . . . . . . 131 VAL N . 131 VAL HN 17451 2 26 DHN . 1 1 76 76 ILE N N 15 . . 1 1 76 76 ILE H H 1 . 0.7 . . . . . . . 132 ILE N . 132 ILE HN 17451 2 27 DHN . 1 1 79 79 ILE N N 15 . . 1 1 79 79 ILE H H 1 . 2.7 . . . . . . . 135 ILE N . 135 ILE HN 17451 2 28 DHN . 1 1 80 80 GLU N N 15 . . 1 1 80 80 GLU H H 1 . -5.7 . . . . . . . 136 GLU N . 136 GLU HN 17451 2 29 DHN . 1 1 81 81 SER N N 15 . . 1 1 81 81 SER H H 1 . -11.6 . . . . . . . 137 SER N . 137 SER HN 17451 2 30 DHN . 1 1 82 82 ASN N N 15 . . 1 1 82 82 ASN H H 1 . -3.9 . . . . . . . 138 ASN N . 138 ASN HN 17451 2 31 DHN . 1 1 84 84 LYS N N 15 . . 1 1 84 84 LYS H H 1 . -8.2 . . . . . . . 140 LYS N . 140 LYS HN 17451 2 32 DHN . 1 1 88 88 GLN N N 15 . . 1 1 88 88 GLN H H 1 . -7.6 . . . . . . . 144 GLN N . 144 GLN HN 17451 2 33 DHN . 1 1 95 95 ARG N N 15 . . 1 1 95 95 ARG H H 1 . -7.7 . . . . . . . 151 ARG N . 151 ARG HN 17451 2 34 DHN . 1 1 99 99 ASP N N 15 . . 1 1 99 99 ASP H H 1 . -2.6 . . . . . . . 155 ASP N . 155 ASP HN 17451 2 35 DHN . 1 1 100 100 VAL N N 15 . . 1 1 100 100 VAL H H 1 . 1.3 . . . . . . . 156 VAL N . 156 VAL HN 17451 2 36 DHN . 1 1 101 101 LEU N N 15 . . 1 1 101 101 LEU H H 1 . 3.5 . . . . . . . 157 LEU N . 157 LEU HN 17451 2 37 DHN . 1 1 102 102 LYS N N 15 . . 1 1 102 102 LYS H H 1 . -0.8 . . . . . . . 158 LYS N . 158 LYS HN 17451 2 38 DHN . 1 1 104 104 THR N N 15 . . 1 1 104 104 THR H H 1 . 4.6 . . . . . . . 160 THR N . 160 THR HN 17451 2 39 DHN . 1 1 105 105 ILE N N 15 . . 1 1 105 105 ILE H H 1 . 0.6 . . . . . . . 161 ILE N . 161 ILE HN 17451 2 40 DHN . 1 1 107 107 ASN N N 15 . . 1 1 107 107 ASN H H 1 . -3.5 . . . . . . . 163 ASN N . 163 ASN HN 17451 2 41 DHN . 1 1 109 109 LEU N N 15 . . 1 1 109 109 LEU H H 1 . -2.8 . . . . . . . 165 LEU N . 165 LEU HN 17451 2 42 DHN . 1 1 110 110 ASP N N 15 . . 1 1 110 110 ASP H H 1 . -1.6 . . . . . . . 166 ASP N . 166 ASP HN 17451 2 43 DHN . 1 1 112 112 HIS N N 15 . . 1 1 112 112 HIS H H 1 . 2.6 . . . . . . . 168 HIS N . 168 HIS HN 17451 2 44 DHN . 1 1 113 113 LYS N N 15 . . 1 1 113 113 LYS H H 1 . -3.3 . . . . . . . 169 LYS N . 169 LYS HN 17451 2 stop_ save_