######################## # 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 6068 _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 . _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 . 6068 1 . . 2 $sample_2 . 6068 1 . . 3 $sample_3 . 6068 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 ALA H H 1 . . 1 1 3 3 ALA HA H 1 . 6.8 . . 2.0 . . . . . . . . . . . 6068 1 2 3JHNHA . 1 1 4 4 LYS H H 1 . . 1 1 4 4 LYS HA H 1 . 6.0 . . 2.0 . . . . . . . . . . . 6068 1 3 3JHNHA . 1 1 6 6 GLU H H 1 . . 1 1 6 6 GLU HA H 1 . 7.8 . . 2.0 . . . . . . . . . . . 6068 1 4 3JHNHA . 1 1 7 7 ALA H H 1 . . 1 1 7 7 ALA HA H 1 . 4.8 . . 2.0 . . . . . . . . . . . 6068 1 5 3JHNHA . 1 1 9 9 GLY H H 1 . . 1 1 9 9 GLY HA H 1 . 8.4 . . 2.0 . . . . . . . . . . . 6068 1 6 3JHNHA . 1 1 10 10 GLU H H 1 . . 1 1 10 10 GLU HA H 1 . 4.7 . . 2.0 . . . . . . . . . . . 6068 1 7 3JHNHA . 1 1 11 11 ASP H H 1 . . 1 1 11 11 ASP HA H 1 . 9.4 . . 2.0 . . . . . . . . . . . 6068 1 8 3JHNHA . 1 1 12 12 ALA H H 1 . . 1 1 12 12 ALA HA H 1 . 5.2 . . 2.0 . . . . . . . . . . . 6068 1 9 3JHNHA . 1 1 13 13 SER H H 1 . . 1 1 13 13 SER HA H 1 . 5.7 . . 2.0 . . . . . . . . . . . 6068 1 10 3JHNHA . 1 1 15 15 GLU H H 1 . . 1 1 15 15 GLU HA H 1 . 4.9 . . 2.0 . . . . . . . . . . . 6068 1 11 3JHNHA . 1 1 16 16 GLU H H 1 . . 1 1 16 16 GLU HA H 1 . 6.2 . . 2.0 . . . . . . . . . . . 6068 1 12 3JHNHA . 1 1 17 17 LEU H H 1 . . 1 1 17 17 LEU HA H 1 . 5.3 . . 2.0 . . . . . . . . . . . 6068 1 13 3JHNHA . 1 1 18 18 SER H H 1 . . 1 1 18 18 SER HA H 1 . 4.6 . . 2.0 . . . . . . . . . . . 6068 1 14 3JHNHA . 1 1 19 19 ARG H H 1 . . 1 1 19 19 ARG HA H 1 . 5.8 . . 2.0 . . . . . . . . . . . 6068 1 15 3JHNHA . 1 1 20 20 TYR H H 1 . . 1 1 20 20 TYR HA H 1 . 6.0 . . 2.0 . . . . . . . . . . . 6068 1 16 3JHNHA . 1 1 21 21 TYR H H 1 . . 1 1 21 21 TYR HA H 1 . 1.6 . . 2.0 . . . . . . . . . . . 6068 1 17 3JHNHA . 1 1 22 22 ALA H H 1 . . 1 1 22 22 ALA HA H 1 . 4.0 . . 2.0 . . . . . . . . . . . 6068 1 18 3JHNHA . 1 1 23 23 SER H H 1 . . 1 1 23 23 SER HA H 1 . 7.1 . . 2.0 . . . . . . . . . . . 6068 1 19 3JHNHA . 1 1 24 24 LEU H H 1 . . 1 1 24 24 LEU HA H 1 . 7.9 . . 2.0 . . . . . . . . . . . 6068 1 20 3JHNHA . 1 1 25 25 ARG H H 1 . . 1 1 25 25 ARG HA H 1 . 4.7 . . 2.0 . . . . . . . . . . . 6068 1 21 3JHNHA . 1 1 26 26 HIS H H 1 . . 1 1 26 26 HIS HA H 1 . 5.1 . . 2.0 . . . . . . . . . . . 6068 1 22 3JHNHA . 1 1 27 27 TYR H H 1 . . 1 1 27 27 TYR HA H 1 . 5.7 . . 2.0 . . . . . . . . . . . 6068 1 23 3JHNHA . 1 1 28 28 LEU H H 1 . . 1 1 28 28 LEU HA H 1 . 5.2 . . 2.0 . . . . . . . . . . . 6068 1 24 3JHNHA . 1 1 29 29 ASN H H 1 . . 1 1 29 29 ASN HA H 1 . 6.0 . . 2.0 . . . . . . . . . . . 6068 1 25 3JHNHA . 1 1 30 30 LEU H H 1 . . 1 1 30 30 LEU HA H 1 . 6.5 . . 2.0 . . . . . . . . . . . 6068 1 26 3JHNHA . 1 1 31 31 VAL H H 1 . . 1 1 31 31 VAL HA H 1 . 7.5 . . 2.0 . . . . . . . . . . . 6068 1 27 3JHNHA . 1 1 32 32 THR H H 1 . . 1 1 32 32 THR HA H 1 . 7.1 . . 2.0 . . . . . . . . . . . 6068 1 28 3JHNHA . 1 1 33 33 ARG H H 1 . . 1 1 33 33 ARG HA H 1 . 7.2 . . 2.0 . . . . . . . . . . . 6068 1 29 3JHNHA . 1 1 34 34 GLN H H 1 . . 1 1 34 34 GLN HA H 1 . 7.5 . . 2.0 . . . . . . . . . . . 6068 1 30 3JHNHA . 1 1 35 35 ARG H H 1 . . 1 1 35 35 ARG HA H 1 . 7.1 . . 2.0 . . . . . . . . . . . 6068 1 31 3JHNHA . 1 1 36 36 TYR H H 1 . . 1 1 36 36 TYR HA H 1 . 8.9 . . 2.0 . . . . . . . . . . . 6068 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 6068 _Coupling_constant_list.ID 2 _Coupling_constant_list.Sample_condition_list_ID 2 _Coupling_constant_list.Sample_condition_list_label $sample_cond_2 _Coupling_constant_list.Spectrometer_frequency_1H . _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 . . 4 $sample_4 . 6068 2 . . 5 $sample_5 . 6068 2 . . 6 $sample_6 . 6068 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 3 3 ALA H H 1 . . 1 1 3 3 ALA HA H 1 . 6.0 . . 2.0 . . . . . . . . . . . 6068 2 2 3JHNHA . 1 1 4 4 LYS H H 1 . . 1 1 4 4 LYS HA H 1 . 7.2 . . 2.0 . . . . . . . . . . . 6068 2 3 3JHNHA . 1 1 6 6 GLU H H 1 . . 1 1 6 6 GLU HA H 1 . 6.6 . . 2.0 . . . . . . . . . . . 6068 2 4 3JHNHA . 1 1 7 7 ALA H H 1 . . 1 1 7 7 ALA HA H 1 . 6.7 . . 2.0 . . . . . . . . . . . 6068 2 5 3JHNHA . 1 1 9 9 GLY H H 1 . . 1 1 9 9 GLY HA H 1 . 6.6 . . 2.0 . . . . . . . . . . . 6068 2 6 3JHNHA . 1 1 10 10 GLU H H 1 . . 1 1 10 10 GLU HA H 1 . 7.0 . . 2.0 . . . . . . . . . . . 6068 2 7 3JHNHA . 1 1 11 11 ASP H H 1 . . 1 1 11 11 ASP HA H 1 . 6.8 . . 2.0 . . . . . . . . . . . 6068 2 8 3JHNHA . 1 1 12 12 ALA H H 1 . . 1 1 12 12 ALA HA H 1 . 6.5 . . 2.0 . . . . . . . . . . . 6068 2 9 3JHNHA . 1 1 13 13 SER H H 1 . . 1 1 13 13 SER HA H 1 . 6.5 . . 2.0 . . . . . . . . . . . 6068 2 10 3JHNHA . 1 1 15 15 GLU H H 1 . . 1 1 15 15 GLU HA H 1 . 6.2 . . 2.0 . . . . . . . . . . . 6068 2 11 3JHNHA . 1 1 16 16 GLU H H 1 . . 1 1 16 16 GLU HA H 1 . 8.0 . . 2.0 . . . . . . . . . . . 6068 2 12 3JHNHA . 1 1 17 17 LEU H H 1 . . 1 1 17 17 LEU HA H 1 . 3.5 . . 2.0 . . . . . . . . . . . 6068 2 13 3JHNHA . 1 1 18 18 SER H H 1 . . 1 1 18 18 SER HA H 1 . 5.4 . . 2.0 . . . . . . . . . . . 6068 2 14 3JHNHA . 1 1 19 19 ARG H H 1 . . 1 1 19 19 ARG HA H 1 . 5.9 . . 2.0 . . . . . . . . . . . 6068 2 15 3JHNHA . 1 1 20 20 TYR H H 1 . . 1 1 20 20 TYR HA H 1 . 6.5 . . 2.0 . . . . . . . . . . . 6068 2 16 3JHNHA . 1 1 21 21 TYR H H 1 . . 1 1 21 21 TYR HA H 1 . 5.5 . . 2.0 . . . . . . . . . . . 6068 2 17 3JHNHA . 1 1 22 22 ALA H H 1 . . 1 1 22 22 ALA HA H 1 . 5.3 . . 2.0 . . . . . . . . . . . 6068 2 18 3JHNHA . 1 1 23 23 SER H H 1 . . 1 1 23 23 SER HA H 1 . 6.0 . . 2.0 . . . . . . . . . . . 6068 2 19 3JHNHA . 1 1 24 24 LEU H H 1 . . 1 1 24 24 LEU HA H 1 . 5.1 . . 2.0 . . . . . . . . . . . 6068 2 20 3JHNHA . 1 1 25 25 ARG H H 1 . . 1 1 25 25 ARG HA H 1 . 4.9 . . 2.0 . . . . . . . . . . . 6068 2 21 3JHNHA . 1 1 26 26 HIS H H 1 . . 1 1 26 26 HIS HA H 1 . 5.1 . . 2.0 . . . . . . . . . . . 6068 2 22 3JHNHA . 1 1 27 27 TYR H H 1 . . 1 1 27 27 TYR HA H 1 . 5.1 . . 2.0 . . . . . . . . . . . 6068 2 23 3JHNHA . 1 1 28 28 LEU H H 1 . . 1 1 28 28 LEU HA H 1 . 5.2 . . 2.0 . . . . . . . . . . . 6068 2 24 3JHNHA . 1 1 29 29 ASN H H 1 . . 1 1 29 29 ASN HA H 1 . 5.7 . . 2.0 . . . . . . . . . . . 6068 2 25 3JHNHA . 1 1 30 30 LEU H H 1 . . 1 1 30 30 LEU HA H 1 . 6.0 . . 2.0 . . . . . . . . . . . 6068 2 26 3JHNHA . 1 1 31 31 VAL H H 1 . . 1 1 31 31 VAL HA H 1 . 6.2 . . 2.0 . . . . . . . . . . . 6068 2 27 3JHNHA . 1 1 32 32 THR H H 1 . . 1 1 32 32 THR HA H 1 . 6.3 . . 2.0 . . . . . . . . . . . 6068 2 28 3JHNHA . 1 1 33 33 ARG H H 1 . . 1 1 33 33 ARG HA H 1 . 6.5 . . 2.0 . . . . . . . . . . . 6068 2 29 3JHNHA . 1 1 34 34 GLN H H 1 . . 1 1 34 34 GLN HA H 1 . 6.6 . . 2.0 . . . . . . . . . . . 6068 2 30 3JHNHA . 1 1 35 35 ARG H H 1 . . 1 1 35 35 ARG HA H 1 . 6.7 . . 2.0 . . . . . . . . . . . 6068 2 31 3JHNHA . 1 1 36 36 TYR H H 1 . . 1 1 36 36 TYR HA H 1 . 8.4 . . 2.0 . . . . . . . . . . . 6068 2 stop_ save_