######################## # Coupling constants # ######################## save_coupling_constants_set_1 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode coupling_constants_set_1 _Coupling_constant_list.Entry_ID 5671 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_cond_1 _Coupling_constant_list.Spectrometer_frequency_1H 800 _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_1 . 5671 1 . . 2 $sample_2 . 5671 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 3JH3'P(i+1) . 1 1 1 1 DC H3' H 1 . . 1 1 2 2 DG P P 31 . 2.140 . . 0.150 . . . . . . . . . . . 5671 1 2 3JH3'P(i+1) . 1 1 2 2 DG H3' H 1 . . 1 1 3 3 DC P P 31 . 2.460 . . 0.110 . . . . . . . . . . . 5671 1 3 3JH3'P(i+1) . 1 1 3 3 DC H3' H 1 . . 1 1 4 4 DG P P 31 . 1.660 . . 0.180 . . . . . . . . . . . 5671 1 4 3JH3'P(i+1) . 1 1 4 4 DG H3' H 1 . . 1 1 5 5 DA P P 31 . 1.500 . . 0.120 . . . . . . . . . . . 5671 1 5 3JH3'P(i+1) . 1 1 5 5 DA H3' H 1 . . 1 1 6 6 DA P P 31 . 2.260 . . 0.140 . . . . . . . . . . . 5671 1 6 3JH3'P(i+1) . 1 1 6 6 DA H3' H 1 . . 1 1 7 7 DT P P 31 . 2.200 . . 0.190 . . . . . . . . . . . 5671 1 7 3JH3'P(i+1) . 1 1 7 7 DT H3' H 1 . . 1 1 8 8 DT P P 31 . 1.640 . . 0.190 . . . . . . . . . . . 5671 1 8 3JH3'P(i+1) . 1 1 8 8 DT H3' H 1 . . 1 1 9 9 DC P P 31 . 0.270 . . 0.190 . . . . . . . . . . . 5671 1 9 3JH3'P(i+1) . 1 1 9 9 DC H3' H 1 . . 1 1 10 10 DG P P 31 . -0.570 . . 0.190 . . . . . . . . . . . 5671 1 10 3JH3'P(i+1) . 1 1 10 10 DG H3' H 1 . . 1 1 11 11 DC P P 31 . -0.780 . . 0.150 . . . . . . . . . . . 5671 1 11 3JH3'P(i+1) . 1 1 11 11 DC H3' H 1 . . 1 1 12 12 DG P P 31 . 0.770 . . 0.140 . . . . . . . . . . . 5671 1 stop_ save_ ######################## # Coupling constants # ######################## save_coupling_constants_set_2 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode coupling_constants_set_2 _Coupling_constant_list.Entry_ID 5671 _Coupling_constant_list.ID 2 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_cond_1 _Coupling_constant_list.Spectrometer_frequency_1H 800 _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_1 . 5671 2 . . 2 $sample_2 . 5671 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 3JH3'P(i+1) . 2 1 1 1 DC H3' H 1 . . 2 1 2 2 DG P P 31 . 2.140 . . 0.150 . . . . . . . . . . . 5671 2 2 3JH3'P(i+1) . 2 1 2 2 DG H3' H 1 . . 2 1 3 3 DC P P 31 . 2.460 . . 0.110 . . . . . . . . . . . 5671 2 3 3JH3'P(i+1) . 2 1 3 3 DC H3' H 1 . . 2 1 4 4 DG P P 31 . 1.660 . . 0.180 . . . . . . . . . . . 5671 2 4 3JH3'P(i+1) . 2 1 4 4 DG H3' H 1 . . 2 1 5 5 DA P P 31 . 1.500 . . 0.120 . . . . . . . . . . . 5671 2 5 3JH3'P(i+1) . 2 1 5 5 DA H3' H 1 . . 2 1 6 6 DA P P 31 . 2.260 . . 0.140 . . . . . . . . . . . 5671 2 6 3JH3'P(i+1) . 2 1 6 6 DA H3' H 1 . . 2 1 7 7 DT P P 31 . 2.200 . . 0.190 . . . . . . . . . . . 5671 2 7 3JH3'P(i+1) . 2 1 7 7 DT H3' H 1 . . 2 1 8 8 DT P P 31 . 1.640 . . 0.190 . . . . . . . . . . . 5671 2 8 3JH3'P(i+1) . 2 1 8 8 DT H3' H 1 . . 2 1 9 9 DC P P 31 . 0.270 . . 0.190 . . . . . . . . . . . 5671 2 9 3JH3'P(i+1) . 2 1 9 9 DC H3' H 1 . . 2 1 10 10 DG P P 31 . -0.570 . . 0.190 . . . . . . . . . . . 5671 2 10 3JH3'P(i+1) . 2 1 10 10 DG H3' H 1 . . 2 1 11 11 DC P P 31 . -0.780 . . 0.150 . . . . . . . . . . . 5671 2 11 3JH3'P(i+1) . 2 1 11 11 DC H3' H 1 . . 2 1 12 12 DG P P 31 . 0.770 . . 0.140 . . . . . . . . . . . 5671 2 stop_ save_