######################## # Coupling constants # ######################## save_coupling_constant_one _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode coupling_constant_one _Coupling_constant_list.Entry_ID 4163 _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 500 _Coupling_constant_list.Details ; 3JHNHA coupling constants were measured at two transforms, one phased in pure absorption and the other in pure dispersion, of the DQF-COSY spectrum. From these values the real couplingconstants were calculated according to Kim, Y. and Prestegard, J.H. (1989) J. Magn. Reson. 84, 9-13. ; _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 . 4163 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 2 2 CYS H . . . . 1 1 2 2 CYS HA . . . 6.3 . . 0.1 . . . . . . . . . . . 4163 1 2 3JHNHA . 1 1 3 3 ASN H . . . . 1 1 3 3 ASN HA . . . 9.1 . . 0.1 . . . . . . . . . . . 4163 1 3 3JHNHA . 1 1 4 4 GLU H . . . . 1 1 4 4 GLU HA . . . 9.0 . . 0.1 . . . . . . . . . . . 4163 1 4 3JHNHA . 1 1 5 5 ARG H . . . . 1 1 5 5 ARG HA . . . 8.8 . . 0.1 . . . . . . . . . . . 4163 1 5 3JHNHA . 1 1 8 8 GLN H . . . . 1 1 8 8 GLN HA . . . 8.4 . . 0.1 . . . . . . . . . . . 4163 1 6 3JHNHA . 1 1 9 9 THR H . . . . 1 1 9 9 THR HA . . . 8.0 . . 0.1 . . . . . . . . . . . 4163 1 7 3JHNHA . 1 1 10 10 TRP H . . . . 1 1 10 10 TRP HA . . . 7.9 . . 0.1 . . . . . . . . . . . 4163 1 8 3JHNHA . 1 1 11 11 SER H . . . . 1 1 11 11 SER HA . . . 8.4 . . 0.1 . . . . . . . . . . . 4163 1 9 3JHNHA . 1 1 13 13 ASN H . . . . 1 1 13 13 ASN HA . . . 5.9 . . 0.1 . . . . . . . . . . . 4163 1 10 3JHNHA . 1 1 16 16 ASN H . . . . 1 1 16 16 ASN HA . . . 8.4 . . 0.1 . . . . . . . . . . . 4163 1 11 3JHNHA . 1 1 17 17 THR H . . . . 1 1 17 17 THR HA . . . 1.9 . . 0.1 . . . . . . . . . . . 4163 1 12 3JHNHA . 1 1 18 18 ALA H . . . . 1 1 18 18 ALA HA . . . 5.2 . . 0.1 . . . . . . . . . . . 4163 1 13 3JHNHA . 1 1 19 19 HIS H . . . . 1 1 19 19 HIS HA . . . 4.7 . . 0.1 . . . . . . . . . . . 4163 1 14 3JHNHA . 1 1 20 20 CYS H . . . . 1 1 20 20 CYS HA . . . 2.5 . . 0.1 . . . . . . . . . . . 4163 1 15 3JHNHA . 1 1 21 21 ASP H . . . . 1 1 21 21 ASP HA . . . 7.5 . . 0.1 . . . . . . . . . . . 4163 1 16 3JHNHA . 1 1 22 22 LYS H . . . . 1 1 22 22 LYS HA . . . 5.2 . . 0.1 . . . . . . . . . . . 4163 1 17 3JHNHA . 1 1 23 23 GLN H . . . . 1 1 23 23 GLN HA . . . 2.4 . . 0.1 . . . . . . . . . . . 4163 1 18 3JHNHA . 1 1 24 24 CYS H . . . . 1 1 24 24 CYS HA . . . 4.3 . . 0.1 . . . . . . . . . . . 4163 1 19 3JHNHA . 1 1 25 25 GLN H . . . . 1 1 25 25 GLN HA . . . 9.1 . . 0.1 . . . . . . . . . . . 4163 1 20 3JHNHA . 1 1 26 26 ASP H . . . . 1 1 26 26 ASP HA . . . 2.0 . . 0.1 . . . . . . . . . . . 4163 1 21 3JHNHA . 1 1 27 27 TRP H . . . . 1 1 27 27 TRP HA . . . 8.4 . . 0.1 . . . . . . . . . . . 4163 1 22 3JHNHA . 1 1 28 28 GLU H . . . . 1 1 28 28 GLU HA . . . 8.8 . . 0.1 . . . . . . . . . . . 4163 1 23 3JHNHA . 1 1 29 29 LYS H . . . . 1 1 29 29 LYS HA . . . 1.4 . . 0.1 . . . . . . . . . . . 4163 1 24 3JHNHA . 1 1 30 30 ALA H . . . . 1 1 30 30 ALA HA . . . 8.8 . . 0.1 . . . . . . . . . . . 4163 1 25 3JHNHA . 1 1 31 31 SER H . . . . 1 1 31 31 SER HA . . . 1.4 . . 0.1 . . . . . . . . . . . 4163 1 26 3JHNHA . 1 1 32 32 HIS H . . . . 1 1 32 32 HIS HA . . . 5.8 . . 0.1 . . . . . . . . . . . 4163 1 27 3JHNHA . 1 1 35 35 CYS H . . . . 1 1 35 35 CYS HA . . . 8.4 . . 0.1 . . . . . . . . . . . 4163 1 28 3JHNHA . 1 1 36 36 HIS H . . . . 1 1 36 36 HIS HA . . . 5.2 . . 0.1 . . . . . . . . . . . 4163 1 29 3JHNHA . 1 1 37 37 LYS H . . . . 1 1 37 37 LYS HA . . . 9.6 . . 0.1 . . . . . . . . . . . 4163 1 30 3JHNHA . 1 1 38 38 ARG H . . . . 1 1 38 38 ARG HA . . . 9.6 . . 0.1 . . . . . . . . . . . 4163 1 31 3JHNHA . 1 1 39 39 GLU H . . . . 1 1 39 39 GLU HA . . . 9.8 . . 0.1 . . . . . . . . . . . 4163 1 32 3JHNHA . 1 1 40 40 ASN H . . . . 1 1 40 40 ASN HA . . . 3.2 . . 0.1 . . . . . . . . . . . 4163 1 33 3JHNHA . 1 1 41 41 HIS H . . . . 1 1 41 41 HIS HA . . . 9.6 . . 0.1 . . . . . . . . . . . 4163 1 34 3JHNHA . 1 1 42 42 TRP H . . . . 1 1 42 42 TRP HA . . . 1.4 . . 0.1 . . . . . . . . . . . 4163 1 35 3JHNHA . 1 1 43 43 LYS H . . . . 1 1 43 43 LYS HA . . . 12.9 . . 0.1 . . . . . . . . . . . 4163 1 36 3JHNHA . 1 1 45 45 PHE H . . . . 1 1 45 45 PHE HA . . . 9.6 . . 0.1 . . . . . . . . . . . 4163 1 37 3JHNHA . 1 1 46 46 CYS H . . . . 1 1 46 46 CYS HA . . . 8.4 . . 0.1 . . . . . . . . . . . 4163 1 38 3JHNHA . 1 1 47 47 TYR H . . . . 1 1 47 47 TYR HA . . . 8.4 . . 0.1 . . . . . . . . . . . 4163 1 39 3JHNHA . 1 1 50 50 CYS H . . . . 1 1 50 50 CYS HA . . . 9.8 . . 0.1 . . . . . . . . . . . 4163 1 stop_ save_