################################ # Residual dipolar couplings # ################################ save_RDCs_1 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDCs_1 _RDC_list.Entry_ID 51591 _RDC_list.ID 1 _RDC_list.Name '(P3-7)2 N-H RDCs' _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_conditions_1 _RDC_list.Spectrometer_frequency_1H 600 _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 17 '2D 1H-15N BEST-TROSY' . . . 51591 1 19 '2D 1H-15N BEST-TROSY' . . . 51591 1 stop_ loop_ _RDC_software.Software_ID _RDC_software.Software_label _RDC_software.Method_ID _RDC_software.Method_label _RDC_software.Entry_ID _RDC_software.RDC_list_ID 1 $software_1 . . 51591 1 2 $software_2 . . 51591 1 3 $software_3 . . 51591 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 DNH . 1 1 4 4 GLY N N 15 . . 1 1 4 4 GLY H H 1 . 2.463 . . . . . . 1 4 GLY N 1 4 GLY H 51591 1 2 DNH . 1 1 5 5 ALA N N 15 . . 1 1 5 5 ALA H H 1 . -2.287 . . . . . . 1 5 ALA N 1 5 ALA H 51591 1 3 DNH . 1 1 7 7 LEU N N 15 . . 1 1 7 7 LEU H H 1 . -11.448 . . . . . . 1 7 LEU N 1 7 LEU H 51591 1 4 DNH . 1 1 8 8 ALA N N 15 . . 1 1 8 8 ALA H H 1 . -17.047 . . . . . . 1 8 ALA N 1 8 ALA H 51591 1 5 DNH . 1 1 9 9 ALA N N 15 . . 1 1 9 9 ALA H H 1 . -18.799 . . . . . . 1 9 ALA N 1 9 ALA H 51591 1 6 DNH . 1 1 10 10 LEU N N 15 . . 1 1 10 10 LEU H H 1 . -15.85 . . . . . . 1 10 LEU N 1 10 LEU H 51591 1 7 DNH . 1 1 11 11 GLN N N 15 . . 1 1 11 11 GLN H H 1 . -17.068 . . . . . . 1 11 GLN N 1 11 GLN H 51591 1 8 DNH . 1 1 12 12 ALA N N 15 . . 1 1 12 12 ALA H H 1 . -20.043 . . . . . . 1 12 ALA N 1 12 ALA H 51591 1 9 DNH . 1 1 13 13 LEU N N 15 . . 1 1 13 13 LEU H H 1 . -18.776 . . . . . . 1 13 LEU N 1 13 LEU H 51591 1 10 DNH . 1 1 14 14 GLN N N 15 . . 1 1 14 14 GLN H H 1 . -16.706 . . . . . . 1 14 GLN N 1 14 GLN H 51591 1 11 DNH . 1 1 15 15 ALA N N 15 . . 1 1 15 15 ALA H H 1 . -18.258 . . . . . . 1 15 ALA N 1 15 ALA H 51591 1 12 DNH . 1 1 16 16 LEU N N 15 . . 1 1 16 16 LEU H H 1 . -19.302 . . . . . . 1 16 LEU N 1 16 LEU H 51591 1 13 DNH . 1 1 17 17 GLN N N 15 . . 1 1 17 17 GLN H H 1 . -16.437 . . . . . . 1 17 GLN N 1 17 GLN H 51591 1 14 DNH . 1 1 18 18 ALA N N 15 . . 1 1 18 18 ALA H H 1 . -14.323 . . . . . . 1 18 ALA N 1 18 ALA H 51591 1 15 DNH . 1 1 19 19 ALA N N 15 . . 1 1 19 19 ALA H H 1 . -15.52 . . . . . . 1 19 ALA N 1 19 ALA H 51591 1 16 DNH . 1 1 20 20 GLN N N 15 . . 1 1 20 20 GLN H H 1 . -12.66 . . . . . . 1 20 GLN N 1 20 GLN H 51591 1 17 DNH . 1 1 21 21 ALA N N 15 . . 1 1 21 21 ALA H H 1 . -7.799 . . . . . . 1 21 ALA N 1 21 ALA H 51591 1 18 DNH . 1 1 22 22 ALA N N 15 . . 1 1 22 22 ALA H H 1 . -6.211 . . . . . . 1 22 ALA N 1 22 ALA H 51591 1 19 DNH . 1 1 23 23 LYS N N 15 . . 1 1 23 23 LYS H H 1 . -0.653 . . . . . . 1 23 LYS N 1 23 LYS H 51591 1 20 DNH . 1 1 24 24 LYS N N 15 . . 1 1 24 24 LYS H H 1 . 6.471 . . . . . . 1 24 LYS N 1 24 LYS H 51591 1 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_RDCs_2 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDCs_2 _RDC_list.Entry_ID 51591 _RDC_list.ID 2 _RDC_list.Name '(P3-7)2 N-C RDCs' _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_conditions_1 _RDC_list.Spectrometer_frequency_1H 600 _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 18 '2D 1H-15N HSQC no 13C decoupling' . . . 51591 2 stop_ loop_ _RDC_software.Software_ID _RDC_software.Software_label _RDC_software.Method_ID _RDC_software.Method_label _RDC_software.Entry_ID _RDC_software.RDC_list_ID 1 $software_1 . . 51591 2 2 $software_2 . . 51591 2 3 $software_3 . . 51591 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 DNC . 1 1 5 5 ALA N N 15 . . 1 1 5 5 ALA C C 13 . 0.905 . . . . . . 1 5 ALA N 1 5 ALA C 51591 2 2 DNC . 1 1 7 7 LEU N N 15 . . 1 1 7 7 LEU C C 13 . 0.68 . . . . . . 1 7 LEU N 1 7 LEU C 51591 2 3 DNC . 1 1 8 8 ALA N N 15 . . 1 1 8 8 ALA C C 13 . 0.71 . . . . . . 1 8 ALA N 1 8 ALA C 51591 2 4 DNC . 1 1 9 9 ALA N N 15 . . 1 1 9 9 ALA C C 13 . -0.456 . . . . . . 1 9 ALA N 1 9 ALA C 51591 2 5 DNC . 1 1 10 10 LEU N N 15 . . 1 1 10 10 LEU C C 13 . 0.45 . . . . . . 1 10 LEU N 1 10 LEU C 51591 2 6 DNC . 1 1 11 11 GLN N N 15 . . 1 1 11 11 GLN C C 13 . 1.262 . . . . . . 1 11 GLN N 1 11 GLN C 51591 2 7 DNC . 1 1 12 12 ALA N N 15 . . 1 1 12 12 ALA C C 13 . 1.731 . . . . . . 1 12 ALA N 1 12 ALA C 51591 2 8 DNC . 1 1 13 13 LEU N N 15 . . 1 1 13 13 LEU C C 13 . 0.61 . . . . . . 1 13 LEU N 1 13 LEU C 51591 2 9 DNC . 1 1 14 14 GLN N N 15 . . 1 1 14 14 GLN C C 13 . 0.754 . . . . . . 1 14 GLN N 1 14 GLN C 51591 2 10 DNC . 1 1 15 15 ALA N N 15 . . 1 1 15 15 ALA C C 13 . 1.563 . . . . . . 1 15 ALA N 1 15 ALA C 51591 2 11 DNC . 1 1 16 16 LEU N N 15 . . 1 1 16 16 LEU C C 13 . 2.178 . . . . . . 1 16 LEU N 1 16 LEU C 51591 2 12 DNC . 1 1 17 17 GLN N N 15 . . 1 1 17 17 GLN C C 13 . 1.234 . . . . . . 1 17 GLN N 1 17 GLN C 51591 2 13 DNC . 1 1 18 18 ALA N N 15 . . 1 1 18 18 ALA C C 13 . 1.421 . . . . . . 1 18 ALA N 1 18 ALA C 51591 2 14 DNC . 1 1 19 19 ALA N N 15 . . 1 1 19 19 ALA C C 13 . 0.281 . . . . . . 1 19 ALA N 1 19 ALA C 51591 2 15 DNC . 1 1 20 20 GLN N N 15 . . 1 1 20 20 GLN C C 13 . -0.584 . . . . . . 1 20 GLN N 1 20 GLN C 51591 2 16 DNC . 1 1 21 21 ALA N N 15 . . 1 1 21 21 ALA C C 13 . 1.3 . . . . . . 1 21 ALA N 1 21 ALA C 51591 2 17 DNC . 1 1 22 22 ALA N N 15 . . 1 1 22 22 ALA C C 13 . 0.672 . . . . . . 1 22 ALA N 1 22 ALA C 51591 2 18 DNC . 1 1 23 23 LYS N N 15 . . 1 1 23 23 LYS C C 13 . 0.987 . . . . . . 1 23 LYS N 1 23 LYS C 51591 2 19 DNC . 1 1 24 24 LYS N N 15 . . 1 1 24 24 LYS C C 13 . 0.328 . . . . . . 1 24 LYS N 1 24 LYS C 51591 2 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_RDCs_3 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDCs_3 _RDC_list.Entry_ID 51591 _RDC_list.ID 3 _RDC_list.Name '(P3-7)2 C-H RDCs' _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_conditions_1 _RDC_list.Spectrometer_frequency_1H 600 _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 18 '2D 1H-15N HSQC no 13C decoupling' . . . 51591 3 20 '2D 1H-15N HSQC no 13C decoupling' . . . 51591 3 stop_ loop_ _RDC_software.Software_ID _RDC_software.Software_label _RDC_software.Method_ID _RDC_software.Method_label _RDC_software.Entry_ID _RDC_software.RDC_list_ID 1 $software_1 . . 51591 3 2 $software_2 . . 51591 3 3 $software_3 . . 51591 3 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 DCH . 1 1 5 5 ALA C C 13 . . 1 1 5 5 ALA H H 1 . -0.54 . . . . . . 1 5 ALA C 1 5 ALA H 51591 3 2 DCH . 1 1 7 7 LEU C C 13 . . 1 1 7 7 LEU H H 1 . -0.39 . . . . . . 1 7 LEU C 1 7 LEU H 51591 3 3 DCH . 1 1 8 8 ALA C C 13 . . 1 1 8 8 ALA H H 1 . 0.42 . . . . . . 1 8 ALA C 1 8 ALA H 51591 3 4 DCH . 1 1 9 9 ALA C C 13 . . 1 1 9 9 ALA H H 1 . 0.33 . . . . . . 1 9 ALA C 1 9 ALA H 51591 3 5 DCH . 1 1 10 10 LEU C C 13 . . 1 1 10 10 LEU H H 1 . -1.302 . . . . . . 1 10 LEU C 1 10 LEU H 51591 3 6 DCH . 1 1 11 11 GLN C C 13 . . 1 1 11 11 GLN H H 1 . -0.288 . . . . . . 1 11 GLN C 1 11 GLN H 51591 3 7 DCH . 1 1 12 12 ALA C C 13 . . 1 1 12 12 ALA H H 1 . 0.006 . . . . . . 1 12 ALA C 1 12 ALA H 51591 3 8 DCH . 1 1 13 13 LEU C C 13 . . 1 1 13 13 LEU H H 1 . -0.444 . . . . . . 1 13 LEU C 1 13 LEU H 51591 3 9 DCH . 1 1 14 14 GLN C C 13 . . 1 1 14 14 GLN H H 1 . 1.47 . . . . . . 1 14 GLN C 1 14 GLN H 51591 3 10 DCH . 1 1 15 15 ALA C C 13 . . 1 1 15 15 ALA H H 1 . -0.36 . . . . . . 1 15 ALA C 1 15 ALA H 51591 3 11 DCH . 1 1 16 16 LEU C C 13 . . 1 1 16 16 LEU H H 1 . 3.12 . . . . . . 1 16 LEU C 1 16 LEU H 51591 3 12 DCH . 1 1 17 17 GLN C C 13 . . 1 1 17 17 GLN H H 1 . -0.372 . . . . . . 1 17 GLN C 1 17 GLN H 51591 3 13 DCH . 1 1 18 18 ALA C C 13 . . 1 1 18 18 ALA H H 1 . -0.294 . . . . . . 1 18 ALA C 1 18 ALA H 51591 3 14 DCH . 1 1 19 19 ALA C C 13 . . 1 1 19 19 ALA H H 1 . -0.174 . . . . . . 1 19 ALA C 1 19 ALA H 51591 3 15 DCH . 1 1 20 20 GLN C C 13 . . 1 1 20 20 GLN H H 1 . -0.258 . . . . . . 1 20 GLN C 1 20 GLN H 51591 3 16 DCH . 1 1 21 21 ALA C C 13 . . 1 1 21 21 ALA H H 1 . -0.546 . . . . . . 1 21 ALA C 1 21 ALA H 51591 3 17 DCH . 1 1 22 22 ALA C C 13 . . 1 1 22 22 ALA H H 1 . -1.116 . . . . . . 1 22 ALA C 1 22 ALA H 51591 3 18 DCH . 1 1 23 23 LYS C C 13 . . 1 1 23 23 LYS H H 1 . -1.116 . . . . . . 1 23 LYS C 1 23 LYS H 51591 3 19 DCH . 1 1 24 24 LYS C C 13 . . 1 1 24 24 LYS H H 1 . -0.918 . . . . . . 1 24 LYS C 1 24 LYS H 51591 3 stop_ save_