######################## # Coupling constants # ######################## save_coupling_constant_list_1 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode coupling_constant_list_1 _Coupling_constant_list.Entry_ID 16745 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_conditions_1 _Coupling_constant_list.Spectrometer_frequency_1H 700 _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 3 '2D 1H-1H NOESY' . . . 16745 1 4 '2D DQF-COSY' . . . 16745 1 stop_ loop_ _Coupling_constant_software.Software_ID _Coupling_constant_software.Software_label _Coupling_constant_software.Method_ID _Coupling_constant_software.Method_label _Coupling_constant_software.Entry_ID _Coupling_constant_software.Coupling_constant_list_ID 2 $XEASY . . 16745 1 3 $NMRPipe . . 16745 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 3JHAHB . 1 1 3 3 PRO HA H 1 . . 1 1 3 3 PRO HB2 H 1 . 5.3 . . 1.5 . . 1 3 PRO HA 1 3 PRO HB2 . 16745 1 2 3JHAHB . 1 1 3 3 PRO HA H 1 . . 1 1 3 3 PRO HB3 H 1 . 8.9 . . 1.5 . . 1 3 PRO HA 1 3 PRO HB3 . 16745 1 3 3JHNHA . 1 1 4 4 ASN H H 1 . . 1 1 4 4 ASN HA H 1 . 10.0 . . 1.0 . . 1 4 ASN H 1 4 ASN HA . 16745 1 4 3JHAHB . 1 1 4 4 ASN HA H 1 . . 1 1 4 4 ASN HB2 H 1 . 9.2 . . 1.5 . . 1 4 ASN HA 1 4 ASN HB2 . 16745 1 5 3JHAHB . 1 1 4 4 ASN HA H 1 . . 1 1 4 4 ASN HB3 H 1 . 5.0 . . 1.5 . . 1 4 ASN HA 1 4 ASN HB3 . 16745 1 6 3JHNHA . 1 1 6 6 GLN H H 1 . . 1 1 6 6 GLN HA H 1 . 3.9 . . 1.0 . . 1 6 GLN H 1 6 GLN HA . 16745 1 7 3JHAHB . 1 1 6 6 GLN HA H 1 . . 1 1 6 6 GLN HB2 H 1 . 12.3 . . 1.5 . . 1 6 GLN HA 1 6 GLN HB2 . 16745 1 8 3JHAHB . 1 1 6 6 GLN HA H 1 . . 1 1 6 6 GLN HB3 H 1 . 4.3 . . 1.5 . . 1 6 GLN HA 1 6 GLN HB3 . 16745 1 9 3JHNHA . 1 1 7 7 CYS H H 1 . . 1 1 7 7 CYS HA H 1 . 9.0 . . 1.0 . . 1 7 CYS H 1 7 CYS HA . 16745 1 10 3JHAHB . 1 1 9 9 PRO HA H 1 . . 1 1 9 9 PRO HB2 H 1 . 9.5 . . 1.5 . . 1 9 PRO HA 1 9 PRO HB2 . 16745 1 11 3JHAHB . 1 1 9 9 PRO HA H 1 . . 1 1 9 9 PRO HB3 H 1 . 8.0 . . 1.5 . . 1 9 PRO HA 1 9 PRO HB3 . 16745 1 12 3JHNHA . 1 1 11 11 TRP H H 1 . . 1 1 11 11 TRP HA H 1 . 9.2 . . 1.0 . . 1 11 TRP H 1 11 TRP HA . 16745 1 13 3JHAHB . 1 1 11 11 TRP HA H 1 . . 1 1 11 11 TRP HB2 H 1 . 11.4 . . 1.5 . . 1 11 TRP HA 1 11 TRP HB2 . 16745 1 14 3JHAHB . 1 1 11 11 TRP HA H 1 . . 1 1 11 11 TRP HB3 H 1 . 3.4 . . 1.5 . . 1 11 TRP HA 1 11 TRP HB3 . 16745 1 15 3JHNHA . 1 1 14 14 CYS H H 1 . . 1 1 14 14 CYS HA H 1 . 8.7 . . 1.0 . . 1 14 CYS H 1 14 CYS HA . 16745 1 16 3JHAHB . 1 1 14 14 CYS HA H 1 . . 1 1 14 14 CYS HB2 H 1 . 10.9 . . 1.5 . . 1 14 CYS HA 1 14 CYS HB2 . 16745 1 17 3JHAHB . 1 1 14 14 CYS HA H 1 . . 1 1 14 14 CYS HB3 H 1 . 4.3 . . 1.5 . . 1 14 CYS HA 1 14 CYS HB3 . 16745 1 18 3JHNHA . 1 1 15 15 ARG H H 1 . . 1 1 15 15 ARG HA H 1 . 6.0 . . 1.0 . . 1 15 ARG H 1 15 ARG HA . 16745 1 19 3JHAHB . 1 1 15 15 ARG HA H 1 . . 1 1 15 15 ARG HB2 H 1 . 6.4 . . 1.5 . . 1 15 ARG HA 1 15 ARG HB2 . 16745 1 20 3JHAHB . 1 1 15 15 ARG HA H 1 . . 1 1 15 15 ARG HB3 H 1 . 8.6 . . 1.5 . . 1 15 ARG HA 1 15 ARG HB3 . 16745 1 21 3JHNHA . 1 1 18 18 LEU H H 1 . . 1 1 18 18 LEU HA H 1 . 8.1 . . 1.0 . . 1 18 LEU H 1 18 LEU HA . 16745 1 22 3JHAHB . 1 1 18 18 LEU HA H 1 . . 1 1 18 18 LEU HB2 H 1 . 12.2 . . 1.5 . . 1 18 LEU HA 1 18 LEU HB2 . 16745 1 23 3JHAHB . 1 1 18 18 LEU HA H 1 . . 1 1 18 18 LEU HB3 H 1 . 2.7 . . 1.5 . . 1 18 LEU HA 1 18 LEU HB3 . 16745 1 24 3JHNHA . 1 1 19 19 CYS H H 1 . . 1 1 19 19 CYS HA H 1 . 9.5 . . 1.0 . . 1 19 CYS H 1 19 CYS HA . 16745 1 25 3JHAHB . 1 1 19 19 CYS HA H 1 . . 1 1 19 19 CYS HB2 H 1 . 11.8 . . 1.5 . . 1 19 CYS HA 1 19 CYS HB2 . 16745 1 26 3JHAHB . 1 1 19 19 CYS HA H 1 . . 1 1 19 19 CYS HB3 H 1 . 3.9 . . 1.5 . . 1 19 CYS HA 1 19 CYS HB3 . 16745 1 27 3JHNHA . 1 1 20 20 CYS H H 1 . . 1 1 20 20 CYS HA H 1 . 8.0 . . 1.0 . . 1 20 CYS H 1 20 CYS HA . 16745 1 28 3JHAHB . 1 1 20 20 CYS HA H 1 . . 1 1 20 20 CYS HB2 H 1 . 3.3 . . 1.5 . . 1 20 CYS HA 1 20 CYS HB2 . 16745 1 29 3JHAHB . 1 1 20 20 CYS HA H 1 . . 1 1 20 20 CYS HB3 H 1 . 9.2 . . 1.5 . . 1 20 CYS HA 1 20 CYS HB3 . 16745 1 30 3JHNHA . 1 1 21 21 SER H H 1 . . 1 1 21 21 SER HA H 1 . 4.5 . . 1.0 . . 1 21 SER H 1 21 SER HA . 16745 1 31 3JHAHB . 1 1 21 21 SER HA H 1 . . 1 1 21 21 SER HB2 H 1 . 3.0 . . 1.5 . . 1 21 SER HA 1 21 SER HB2 . 16745 1 32 3JHAHB . 1 1 21 21 SER HA H 1 . . 1 1 21 21 SER HB3 H 1 . 2.2 . . 1.5 . . 1 21 SER HA 1 21 SER HB3 . 16745 1 33 3JHNHA . 1 1 22 22 GLN H H 1 . . 1 1 22 22 GLN HA H 1 . 4.9 . . 1.0 . . 1 22 GLN H 1 22 GLN HA . 16745 1 34 3JHAHB . 1 1 22 22 GLN HA H 1 . . 1 1 22 22 GLN HB2 H 1 . 5.0 . . 1.5 . . 1 22 GLN HA 1 22 GLN HB2 . 16745 1 35 3JHAHB . 1 1 22 22 GLN HA H 1 . . 1 1 22 22 GLN HB3 H 1 . 5.0 . . 1.5 . . 1 22 GLN HA 1 22 GLN HB3 . 16745 1 36 3JHNHA . 1 1 23 23 TYR H H 1 . . 1 1 23 23 TYR HA H 1 . 9.6 . . 1.0 . . 1 23 TYR H 1 23 TYR HA . 16745 1 37 3JHAHB . 1 1 23 23 TYR HA H 1 . . 1 1 23 23 TYR HB2 H 1 . 11.8 . . 1.5 . . 1 23 TYR HA 1 23 TYR HB2 . 16745 1 38 3JHAHB . 1 1 23 23 TYR HA H 1 . . 1 1 23 23 TYR HB3 H 1 . 3.8 . . 1.5 . . 1 23 TYR HA 1 23 TYR HB3 . 16745 1 39 3JHNHA . 1 1 25 25 TYR H H 1 . . 1 1 25 25 TYR HA H 1 . 9.9 . . 1.0 . . 1 25 TYR H 1 25 TYR HA . 16745 1 40 3JHAHB . 1 1 25 25 TYR HA H 1 . . 1 1 25 25 TYR HB2 H 1 . 10.6 . . 1.5 . . 1 25 TYR HA 1 25 TYR HB2 . 16745 1 41 3JHAHB . 1 1 25 25 TYR HA H 1 . . 1 1 25 25 TYR HB3 H 1 . 2.6 . . 1.5 . . 1 25 TYR HA 1 25 TYR HB3 . 16745 1 42 3JHNHA . 1 1 26 26 CYS H H 1 . . 1 1 26 26 CYS HA H 1 . 5.0 . . 1.0 . . 1 26 CYS H 1 26 CYS HA . 16745 1 43 3JHAHB . 1 1 26 26 CYS HA H 1 . . 1 1 26 26 CYS HB2 H 1 . 10.4 . . 1.5 . . 1 26 CYS HA 1 26 CYS HB2 . 16745 1 44 3JHAHB . 1 1 26 26 CYS HA H 1 . . 1 1 26 26 CYS HB3 H 1 . 2.7 . . 1.5 . . 1 26 CYS HA 1 26 CYS HB3 . 16745 1 45 3JHNHA . 1 1 28 28 SER H H 1 . . 1 1 28 28 SER HA H 1 . 9.4 . . 1.0 . . 1 28 SER H 1 28 SER HA . 16745 1 46 3JHAHB . 1 1 28 28 SER HA H 1 . . 1 1 28 28 SER HB2 H 1 . 3.9 . . 1.5 . . 1 28 SER HA 1 28 SER HB2 . 16745 1 47 3JHAHB . 1 1 28 28 SER HA H 1 . . 1 1 28 28 SER HB3 H 1 . 4.5 . . 1.5 . . 1 28 SER HA 1 28 SER HB3 . 16745 1 48 3JHAHB . 1 1 30 30 PRO HA H 1 . . 1 1 30 30 PRO HB2 H 1 . 6.6 . . 1.5 . . 1 30 PRO HA 1 30 PRO HB2 . 16745 1 49 3JHAHB . 1 1 30 30 PRO HA H 1 . . 1 1 30 30 PRO HB3 H 1 . 11.5 . . 1.5 . . 1 30 PRO HA 1 30 PRO HB3 . 16745 1 50 3JHNHA . 1 1 31 31 LYS H H 1 . . 1 1 31 31 LYS HA H 1 . 5.7 . . 1.0 . . 1 31 LYS H 1 31 LYS HA . 16745 1 51 3JHNHA . 1 1 32 32 TYR H H 1 . . 1 1 32 32 TYR HA H 1 . 10.9 . . 1.0 . . 1 32 TYR H 1 32 TYR HA . 16745 1 52 3JHAHB . 1 1 32 32 TYR HA H 1 . . 1 1 32 32 TYR HB2 H 1 . 10.9 . . 1.5 . . 1 32 TYR HA 1 32 TYR HB2 . 16745 1 53 3JHAHB . 1 1 32 32 TYR HA H 1 . . 1 1 32 32 TYR HB3 H 1 . 3.2 . . 1.5 . . 1 32 TYR HA 1 32 TYR HB3 . 16745 1 54 3JHNHA . 1 1 33 33 CYS H H 1 . . 1 1 33 33 CYS HA H 1 . 7.5 . . 1.0 . . 1 33 CYS H 1 33 CYS HA . 16745 1 55 3JHAHB . 1 1 33 33 CYS HA H 1 . . 1 1 33 33 CYS HB2 H 1 . 12.1 . . 1.5 . . 1 33 CYS HA 1 33 CYS HB2 . 16745 1 56 3JHAHB . 1 1 33 33 CYS HA H 1 . . 1 1 33 33 CYS HB3 H 1 . 3.0 . . 1.5 . . 1 33 CYS HA 1 33 CYS HB3 . 16745 1 57 3JHNHA . 1 1 34 34 ALA H H 1 . . 1 1 34 34 ALA HA H 1 . 6.1 . . 1.0 . . 1 34 ALA H 1 34 ALA HA . 16745 1 58 3JHNHA . 1 1 35 35 HIS H H 1 . . 1 1 35 35 HIS HA H 1 . 7.6 . . 1.0 . . 1 35 HIS H 1 35 HIS HA . 16745 1 59 3JHAHB . 1 1 35 35 HIS HA H 1 . . 1 1 35 35 HIS HB2 H 1 . 5.5 . . 1.5 . . 1 35 HIS HA 1 35 HIS HB2 . 16745 1 60 3JHAHB . 1 1 35 35 HIS HA H 1 . . 1 1 35 35 HIS HB3 H 1 . 7.1 . . 1.5 . . 1 35 HIS HA 1 35 HIS HB3 . 16745 1 stop_ save_