######################## # Coupling constants # ######################## save_coupling_constants_one _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode coupling_constants_one _Coupling_constant_list.Entry_ID 4187 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_conditions_one _Coupling_constant_list.Spectrometer_frequency_1H 600 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID . . 1 $sample_one . 4187 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHH . 1 1 1 1 DG H1' . . . . 1 1 1 1 DG H2' . . . 9.1 . . 0.3 . . . . . . . . . . . 4187 1 2 3JHH . 1 1 1 1 DG H1' . . . . 1 1 1 1 DG H2'' . . . 5.7 . . 0.3 . . . . . . . . . . . 4187 1 3 3JHH . 1 1 1 1 DG H2' . . . . 1 1 1 1 DG H3' . . . 4.9 . . 0.5 . . . . . . . . . . . 4187 1 4 3JHH . 1 1 1 1 DG H2'' . . . . 1 1 1 1 DG H3' . . . 2.4 . . 0.5 . . . . . . . . . . . 4187 1 5 3JHH . 1 1 6 6 DT H1' . . . . 1 1 6 6 DT H2' . . . 8.9 . . 0.3 . . . . . . . . . . . 4187 1 6 3JHH . 1 1 6 6 DT H1' . . . . 1 1 6 6 DT H2'' . . . 6.6 . . 0.3 . . . . . . . . . . . 4187 1 7 3JHH . 1 1 6 6 DT H2' . . . . 1 1 6 6 DT H3' . . . 7.0 . . 0.5 . . . . . . . . . . . 4187 1 8 3JHH . 1 1 6 6 DT H2'' . . . . 1 1 6 6 DT H3' . . . 2.3 . . 0.5 . . . . . . . . . . . 4187 1 9 3JHH . 1 1 7 7 DG H1' . . . . 1 1 7 7 DG H2' . . . 9.4 . . 0.3 . . . . . . . . . . . 4187 1 10 3JHH . 1 1 7 7 DG H1' . . . . 1 1 7 7 DG H2'' . . . 6.0 . . 0.3 . . . . . . . . . . . 4187 1 11 3JHH . 1 1 7 7 DG H2' . . . . 1 1 7 7 DG H3' . . . 5.0 . . 0.5 . . . . . . . . . . . 4187 1 12 3JHH . 1 1 7 7 DG H2'' . . . . 1 1 7 7 DG H3' . . . 2.4 . . 0.5 . . . . . . . . . . . 4187 1 13 3JHH . 1 1 9 9 DT H1' . . . . 1 1 9 9 DT H2' . . . 8.7 . . 0.3 . . . . . . . . . . . 4187 1 14 3JHH . 1 1 9 9 DT H1' . . . . 1 1 9 9 DT H2'' . . . 6.6 . . 0.3 . . . . . . . . . . . 4187 1 15 3JHH . 1 1 9 9 DT H2' . . . . 1 1 9 9 DT H3' . . . 7.0 . . 0.5 . . . . . . . . . . . 4187 1 16 3JHH . 1 1 9 9 DT H2'' . . . . 1 1 9 9 DT H3' . . . 2.6 . . 0.5 . . . . . . . . . . . 4187 1 17 3JHH . 1 1 10 10 DA H1' . . . . 1 1 10 10 DA H2' . . . 9.5 . . 0.3 . . . . . . . . . . . 4187 1 18 3JHH . 1 1 10 10 DA H1' . . . . 1 1 10 10 DA H2'' . . . 5.4 . . 0.3 . . . . . . . . . . . 4187 1 19 3JHH . 1 1 10 10 DA H2' . . . . 1 1 10 10 DA H3' . . . 4.9 . . 0.5 . . . . . . . . . . . 4187 1 20 3JHH . 1 1 10 10 DA H2'' . . . . 1 1 10 10 DA H3' . . . 2.3 . . 0.5 . . . . . . . . . . . 4187 1 21 3JHH . 1 1 11 11 DG H1' . . . . 1 1 11 11 DG H2' . . . 8.5 . . 0.3 . . . . . . . . . . . 4187 1 22 3JHH . 1 1 11 11 DG H1' . . . . 1 1 11 11 DG H2'' . . . 6.2 . . 0.3 . . . . . . . . . . . 4187 1 23 3JHH . 1 1 11 11 DG H2' . . . . 1 1 11 11 DG H3' . . . 6.5 . . 0.5 . . . . . . . . . . . 4187 1 24 3JHH . 1 1 11 11 DG H2'' . . . . 1 1 11 11 DG H3' . . . 3.1 . . 0.5 . . . . . . . . . . . 4187 1 stop_ save_ ######################## # Coupling constants # ######################## save_coupling_constants_two _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode coupling_constants_two _Coupling_constant_list.Entry_ID 4187 _Coupling_constant_list.ID 2 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_conditions_one _Coupling_constant_list.Spectrometer_frequency_1H 600 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID . . 1 $sample_one . 4187 2 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHH . 2 2 1 1 DC H1' . . . . 2 2 1 1 DC H2' . . . 5.4 . . 0.3 . . . . . . . . . . . 4187 2 2 3JHH . 2 2 1 1 DC H1' . . . . 2 2 1 1 DC H2'' . . . 6.8 . . 0.3 . . . . . . . . . . . 4187 2 3 3JHH . 2 2 1 1 DC H2' . . . . 2 2 1 1 DC H3' . . . 6.6 . . 0.5 . . . . . . . . . . . 4187 2 4 3JHH . 2 2 1 1 DC H2'' . . . . 2 2 1 1 DC H3' . . . 5.5 . . 0.5 . . . . . . . . . . . 4187 2 5 3JHH . 2 2 2 2 DT H1' . . . . 2 2 2 2 DT H2' . . . 9.8 . . 0.3 . . . . . . . . . . . 4187 2 6 3JHH . 2 2 2 2 DT H1' . . . . 2 2 2 2 DT H2'' . . . 5.8 . . 0.3 . . . . . . . . . . . 4187 2 7 3JHH . 2 2 2 2 DT H2' . . . . 2 2 2 2 DT H3' . . . 5.7 . . 0.5 . . . . . . . . . . . 4187 2 8 3JHH . 2 2 2 2 DT H2'' . . . . 2 2 2 2 DT H3' . . . 2.1 . . 0.5 . . . . . . . . . . . 4187 2 9 3JHH . 2 2 4 4 DT H1' . . . . 2 2 4 4 DT H2' . . . 8.8 . . 0.3 . . . . . . . . . . . 4187 2 10 3JHH . 2 2 4 4 DT H1' . . . . 2 2 4 4 DT H2'' . . . 5.9 . . 0.3 . . . . . . . . . . . 4187 2 11 3JHH . 2 2 4 4 DT H2' . . . . 2 2 4 4 DT H3' . . . 7.1 . . 0.5 . . . . . . . . . . . 4187 2 12 3JHH . 2 2 4 4 DT H2'' . . . . 2 2 4 4 DT H3' . . . 3.4 . . 0.5 . . . . . . . . . . . 4187 2 13 3JHH . 2 2 5 5 DC H1' . . . . 2 2 5 5 DC H2' . . . 8.4 . . 0.3 . . . . . . . . . . . 4187 2 14 3JHH . 2 2 5 5 DC H1' . . . . 2 2 5 5 DC H2'' . . . 6.6 . . 0.3 . . . . . . . . . . . 4187 2 15 3JHH . 2 2 5 5 DC H2' . . . . 2 2 5 5 DC H3' . . . 6.8 . . 0.5 . . . . . . . . . . . 4187 2 16 3JHH . 2 2 5 5 DC H2'' . . . . 2 2 5 5 DC H3' . . . 2.3 . . 0.5 . . . . . . . . . . . 4187 2 17 3JHH . 2 2 9 9 DT H1' . . . . 2 2 9 9 DT H2' . . . 8.5 . . 0.3 . . . . . . . . . . . 4187 2 18 3JHH . 2 2 9 9 DT H1' . . . . 2 2 9 9 DT H2'' . . . 5.9 . . 0.3 . . . . . . . . . . . 4187 2 19 3JHH . 2 2 9 9 DT H2' . . . . 2 2 9 9 DT H3' . . . 7.0 . . 0.5 . . . . . . . . . . . 4187 2 20 3JHH . 2 2 9 9 DT H2'' . . . . 2 2 9 9 DT H3' . . . 3.4 . . 0.5 . . . . . . . . . . . 4187 2 21 3JHH . 2 2 10 10 DG H1' . . . . 2 2 10 10 DG H2' . . . 9.2 . . 0.3 . . . . . . . . . . . 4187 2 22 3JHH . 2 2 10 10 DG H1' . . . . 2 2 10 10 DG H2'' . . . 5.6 . . 0.3 . . . . . . . . . . . 4187 2 23 3JHH . 2 2 10 10 DG H2' . . . . 2 2 10 10 DG H3' . . . 5.2 . . 0.5 . . . . . . . . . . . 4187 2 24 3JHH . 2 2 10 10 DG H2'' . . . . 2 2 10 10 DG H3' . . . 2.5 . . 0.5 . . . . . . . . . . . 4187 2 stop_ save_