######################## # Coupling constants # ######################## save_J_values_1 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode J_values_1 _Coupling_constant_list.Entry_ID 5731 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $condition_1 _Coupling_constant_list.Spectrometer_frequency_1H 600 _Coupling_constant_list.Details ; J3HNHB and J3HAHB were only qualitatively measured and classified as big (HNHB <-3 Hz, HAHB >9 Hz) 9..11) or small (HNHB >-2.5Hz). ; _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 . 5731 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 3JHNHA . 1 1 3 3 ASN H H 1 . . 1 1 3 3 ASN HA H 1 . 6.9 . . 1.0 . . . . . . . . . . . 5731 1 2 3JHNHA . 1 1 4 4 ARG H H 1 . . 1 1 4 4 ARG HA H 1 . 6.7 . . 1.0 . . . . . . . . . . . 5731 1 3 3JHNHA . 1 1 5 5 GLU H H 1 . . 1 1 5 5 GLU HA H 1 . 6.3 . . 1.0 . . . . . . . . . . . 5731 1 4 3JHNHA . 1 1 6 6 ASN H H 1 . . 1 1 6 6 ASN HA H 1 . 7.3 . . 1.0 . . . . . . . . . . . 5731 1 5 3JHNHA . 1 1 7 7 PHE H H 1 . . 1 1 7 7 PHE HA H 1 . 6.8 . . 1.0 . . . . . . . . . . . 5731 1 6 3JHNHA . 1 1 8 8 HIS H H 1 . . 1 1 8 8 HIS HA H 1 . 7.7 . . 1.0 . . . . . . . . . . . 5731 1 7 3JHNHA . 1 1 9 9 TYR H H 1 . . 1 1 9 9 TYR HA H 1 . 6.7 . . 1.0 . . . . . . . . . . . 5731 1 8 3JHNHA . 1 1 11 11 SER H H 1 . . 1 1 11 11 SER HA H 1 . 6.8 . . 1.0 . . . . . . . . . . . 5731 1 9 3JHNHA . 1 1 12 12 VAL H H 1 . . 1 1 12 12 VAL HA H 1 . 7.4 . . 1.0 . . . . . . . . . . . 5731 1 10 3JHNHA . 1 1 13 13 VAL H H 1 . . 1 1 13 13 VAL HA H 1 . 7.6 . . 1.0 . . . . . . . . . . . 5731 1 11 3JHNHA . 1 1 14 14 THR H H 1 . . 1 1 14 14 THR HA H 1 . 7.9 . . 1.0 . . . . . . . . . . . 5731 1 12 3JHNHA . 1 1 15 15 TYR H H 1 . . 1 1 15 15 TYR HA H 1 . 7.0 . . 1.0 . . . . . . . . . . . 5731 1 13 3JHNHA . 1 1 16 16 ARG H H 1 . . 1 1 16 16 ARG HA H 1 . 7.2 . . 1.0 . . . . . . . . . . . 5731 1 14 3JHNHA . 1 1 17 17 SER H H 1 . . 1 1 17 17 SER HA H 1 . 6.6 . . 1.0 . . . . . . . . . . . 5731 1 stop_ save_ ######################## # Coupling constants # ######################## save_J_values_2 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode J_values_2 _Coupling_constant_list.Entry_ID 5731 _Coupling_constant_list.ID 2 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $condition_1 _Coupling_constant_list.Spectrometer_frequency_1H 600 _Coupling_constant_list.Details ; J3HNHB and J3HAHB were only qualitatively measured and classified as big (HNHB <-3 Hz, HAHB >9 Hz) 9..11) or small (HNHB >-2.5Hz) ; _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 . . 3 $sample_3 . 5731 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 3JHNHA . 1 1 2 2 THR H H 1 . . 1 1 2 2 THR HA H 1 . 7.6 . . 1.0 . . . . . . . . . . . 5731 2 2 3JHNHA . 1 1 3 3 ASN H H 1 . . 1 1 3 3 ASN HA H 1 . 6.8 . . 1.0 . . . . . . . . . . . 5731 2 3 3JHNHA . 1 1 4 4 ARG H H 1 . . 1 1 4 4 ARG HA H 1 . 6.9 . . 1.0 . . . . . . . . . . . 5731 2 4 3JHNHA . 1 1 5 5 GLU H H 1 . . 1 1 5 5 GLU HA H 1 . 5.8 . . 1.0 . . . . . . . . . . . 5731 2 5 3JHNHA . 1 1 6 6 ASN H H 1 . . 1 1 6 6 ASN HA H 1 . 6.4 . . 1.0 . . . . . . . . . . . 5731 2 6 3JHNHA . 1 1 7 7 PHE H H 1 . . 1 1 7 7 PHE HA H 1 . 6.9 . . 1.0 . . . . . . . . . . . 5731 2 7 3JHNHA . 1 1 8 8 HIS H H 1 . . 1 1 8 8 HIS HA H 1 . 6.3 . . 1.0 . . . . . . . . . . . 5731 2 8 3JHNHA . 1 1 9 9 TYR H H 1 . . 1 1 9 9 TYR HA H 1 . 6.2 . . 1.0 . . . . . . . . . . . 5731 2 9 3JHNHA . 1 1 11 11 SER H H 1 . . 1 1 11 11 SER HA H 1 . 6.4 . . 1.0 . . . . . . . . . . . 5731 2 10 3JHNHA . 1 1 12 12 VAL H H 1 . . 1 1 12 12 VAL HA H 1 . 5.5 . . 1.0 . . . . . . . . . . . 5731 2 11 3JHNHA . 1 1 13 13 VAL H H 1 . . 1 1 13 13 VAL HA H 1 . 5.3 . . 1.0 . . . . . . . . . . . 5731 2 12 3JHNHA . 1 1 14 14 THR H H 1 . . 1 1 14 14 THR HA H 1 . 6.6 . . 1.0 . . . . . . . . . . . 5731 2 13 3JHNHA . 1 1 15 15 TYR H H 1 . . 1 1 15 15 TYR HA H 1 . 5.8 . . 1.0 . . . . . . . . . . . 5731 2 14 3JHNHA . 1 1 16 16 ARG H H 1 . . 1 1 16 16 ARG HA H 1 . 7.2 . . 1.0 . . . . . . . . . . . 5731 2 15 3JHNHA . 1 1 17 17 SER H H 1 . . 1 1 17 17 SER HA H 1 . 7.3 . . 1.0 . . . . . . . . . . . 5731 2 stop_ save_