Content for NMR-STAR saveframe, "coupling_constant_one"

    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_