Content for NMR-STAR saveframe, "chemical_shift_set_1"

    save_chemical_shift_set_1
   _Assigned_chem_shift_list.Sf_category                   assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                  chemical_shift_set_1
   _Assigned_chem_shift_list.Entry_ID                      6041
   _Assigned_chem_shift_list.ID                            1
   _Assigned_chem_shift_list.Sample_condition_list_ID      1
   _Assigned_chem_shift_list.Sample_condition_list_label   $sample_cond_1
   _Assigned_chem_shift_list.Chem_shift_reference_ID       1
   _Assigned_chem_shift_list.Chem_shift_reference_label    $chemical_shift_reference
   _Assigned_chem_shift_list.Chem_shift_1H_err             .
   _Assigned_chem_shift_list.Chem_shift_13C_err            .
   _Assigned_chem_shift_list.Chem_shift_15N_err            .
   _Assigned_chem_shift_list.Chem_shift_31P_err            .
   _Assigned_chem_shift_list.Chem_shift_2H_err             .
   _Assigned_chem_shift_list.Chem_shift_19F_err            .
   _Assigned_chem_shift_list.Error_derivation_method       .
   _Assigned_chem_shift_list.Details                       .
   _Assigned_chem_shift_list.Text_data_format              .
   _Assigned_chem_shift_list.Text_data                     .

   loop_
      _Chem_shift_experiment.Experiment_ID
      _Chem_shift_experiment.Experiment_name
      _Chem_shift_experiment.Sample_ID
      _Chem_shift_experiment.Sample_label
      _Chem_shift_experiment.Sample_state
      _Chem_shift_experiment.Entry_ID
      _Chem_shift_experiment.Assigned_chem_shift_list_ID

      1   '2D NOESY'   .   .   .   6041   1
      2   '2D TOCSY'   .   .   .   6041   1
      3   DQF-COSY     .   .   .   6041   1
   stop_

   loop_
      _Atom_chem_shift.ID
      _Atom_chem_shift.Assembly_atom_ID
      _Atom_chem_shift.Entity_assembly_ID
      _Atom_chem_shift.Entity_ID
      _Atom_chem_shift.Comp_index_ID
      _Atom_chem_shift.Seq_ID
      _Atom_chem_shift.Comp_ID
      _Atom_chem_shift.Atom_ID
      _Atom_chem_shift.Atom_type
      _Atom_chem_shift.Atom_isotope_number
      _Atom_chem_shift.Val
      _Atom_chem_shift.Val_err
      _Atom_chem_shift.Assign_fig_of_merit
      _Atom_chem_shift.Ambiguity_code
      _Atom_chem_shift.Ambiguity_set_ID
      _Atom_chem_shift.Occupancy
      _Atom_chem_shift.Resonance_ID
      _Atom_chem_shift.Auth_entity_assembly_ID
      _Atom_chem_shift.Auth_asym_ID
      _Atom_chem_shift.Auth_seq_ID
      _Atom_chem_shift.Auth_comp_ID
      _Atom_chem_shift.Auth_atom_ID
      _Atom_chem_shift.Details
      _Atom_chem_shift.Entry_ID
      _Atom_chem_shift.Assigned_chem_shift_list_ID

      1    .   1   1   1   1   ARG   HA    H   1   3.925    0.003   .   .   .   .   .   .   .   .   .   .   .   6041   1
      2    .   1   1   1   1   ARG   HB2   H   1   1.920    0.007   .   .   .   .   .   .   .   .   .   .   .   6041   1
      3    .   1   1   1   1   ARG   HD2   H   1   3.208    0.001   .   .   .   .   .   .   .   .   .   .   .   6041   1
      4    .   1   1   1   1   ARG   HE    H   1   7.519    0.002   .   .   .   .   .   .   .   .   .   .   .   6041   1
      5    .   1   1   1   1   ARG   HG2   H   1   1.588    0.009   .   .   .   .   .   .   .   .   .   .   .   6041   1
      6    .   1   1   1   1   ARG   H     H   1   8.969    0.001   .   .   .   .   .   .   .   .   .   .   .   6041   1
      7    .   1   1   2   2   ARG   HA    H   1   4.253    0.005   .   .   .   .   .   .   .   .   .   .   .   6041   1
      8    .   1   1   2   2   ARG   HB2   H   1   1.587    0.005   .   .   .   .   .   .   .   .   .   .   .   6041   1
      9    .   1   1   2   2   ARG   HD2   H   1   3.126    0.003   .   .   .   .   .   .   .   .   .   .   .   6041   1
      10   .   1   1   2   2   ARG   HE    H   1   7.504    0.001   .   .   .   .   .   .   .   .   .   .   .   6041   1
      11   .   1   1   2   2   ARG   HG2   H   1   1.750    0.004   .   .   .   .   .   .   .   .   .   .   .   6041   1
      12   .   1   1   2   2   ARG   HG3   H   1   1.432    0.002   .   .   .   .   .   .   .   .   .   .   .   6041   1
      13   .   1   1   2   2   ARG   H     H   1   8.361    0.002   .   .   .   .   .   .   .   .   .   .   .   6041   1
      14   .   1   1   3   3   TRP   HA    H   1   4.683    0.001   .   .   .   .   .   .   .   .   .   .   .   6041   1
      15   .   1   1   3   3   TRP   HB2   H   1   3.450    0.003   .   .   .   .   .   .   .   .   .   .   .   6041   1
      16   .   1   1   3   3   TRP   HB3   H   1   3.239    0.001   .   .   .   .   .   .   .   .   .   .   .   6041   1
      17   .   1   1   3   3   TRP   HD1   H   1   7.365    0.001   .   .   .   .   .   .   .   .   .   .   .   6041   1
      18   .   1   1   3   3   TRP   HE1   H   1   10.621   0.001   .   .   .   .   .   .   .   .   .   .   .   6041   1
      19   .   1   1   3   3   TRP   HE3   H   1   7.716    0.003   .   .   .   .   .   .   .   .   .   .   .   6041   1
      20   .   1   1   3   3   TRP   HH2   H   1   7.025    0.000   .   .   .   .   .   .   .   .   .   .   .   6041   1
      21   .   1   1   3   3   TRP   H     H   1   7.428    0.002   .   .   .   .   .   .   .   .   .   .   .   6041   1
      22   .   1   1   3   3   TRP   HZ2   H   1   7.364    0.000   .   .   .   .   .   .   .   .   .   .   .   6041   1
      23   .   1   1   3   3   TRP   HZ3   H   1   7.088    0.000   .   .   .   .   .   .   .   .   .   .   .   6041   1
      24   .   1   1   4   4   TRP   HA    H   1   4.177    0.003   .   .   .   .   .   .   .   .   .   .   .   6041   1
      25   .   1   1   4   4   TRP   HB2   H   1   2.382    0.002   .   .   .   .   .   .   .   .   .   .   .   6041   1
      26   .   1   1   4   4   TRP   HB3   H   1   3.122    0.003   .   .   .   .   .   .   .   .   .   .   .   6041   1
      27   .   1   1   4   4   TRP   HD1   H   1   7.239    0.001   .   .   .   .   .   .   .   .   .   .   .   6041   1
      28   .   1   1   4   4   TRP   HE1   H   1   10.923   0.001   .   .   .   .   .   .   .   .   .   .   .   6041   1
      29   .   1   1   4   4   TRP   HE3   H   1   7.371    0.003   .   .   .   .   .   .   .   .   .   .   .   6041   1
      30   .   1   1   4   4   TRP   HH2   H   1   7.075    0.000   .   .   .   .   .   .   .   .   .   .   .   6041   1
      31   .   1   1   4   4   TRP   H     H   1   8.902    0.001   .   .   .   .   .   .   .   .   .   .   .   6041   1
      32   .   1   1   4   4   TRP   HZ2   H   1   7.480    0.002   .   .   .   .   .   .   .   .   .   .   .   6041   1
      33   .   1   1   4   4   TRP   HZ3   H   1   7.004    0.002   .   .   .   .   .   .   .   .   .   .   .   6041   1
      34   .   1   1   5   5   ARG   HA    H   1   3.849    0.003   .   .   .   .   .   .   .   .   .   .   .   6041   1
      35   .   1   1   5   5   ARG   HB2   H   1   0.222    0.007   .   .   .   .   .   .   .   .   .   .   .   6041   1
      36   .   1   1   5   5   ARG   HB3   H   1   1.390    0.002   .   .   .   .   .   .   .   .   .   .   .   6041   1
      37   .   1   1   5   5   ARG   HD2   H   1   2.573    0.004   .   .   .   .   .   .   .   .   .   .   .   6041   1
      38   .   1   1   5   5   ARG   HD3   H   1   2.273    0.034   .   .   .   .   .   .   .   .   .   .   .   6041   1
      39   .   1   1   5   5   ARG   HE    H   1   7.055    0.002   .   .   .   .   .   .   .   .   .   .   .   6041   1
      40   .   1   1   5   5   ARG   HG2   H   1   0.478    0.005   .   .   .   .   .   .   .   .   .   .   .   6041   1
      41   .   1   1   5   5   ARG   HG3   H   1   -0.055   0.005   .   .   .   .   .   .   .   .   .   .   .   6041   1
      42   .   1   1   5   5   ARG   H     H   1   6.298    0.003   .   .   .   .   .   .   .   .   .   .   .   6041   1
      43   .   1   1   6   6   PHE   HA    H   1   4.743    0.003   .   .   .   .   .   .   .   .   .   .   .   6041   1
      44   .   1   1   6   6   PHE   HB2   H   1   3.219    0.005   .   .   .   .   .   .   .   .   .   .   .   6041   1
      45   .   1   1   6   6   PHE   HB3   H   1   3.659    0.005   .   .   .   .   .   .   .   .   .   .   .   6041   1
      46   .   1   1   6   6   PHE   HD1   H   1   7.400    0.003   .   .   .   .   .   .   .   .   .   .   .   6041   1
      47   .   1   1   6   6   PHE   HE1   H   1   7.240    0.003   .   .   .   .   .   .   .   .   .   .   .   6041   1
      48   .   1   1   6   6   PHE   H     H   1   8.293    0.002   .   .   .   .   .   .   .   .   .   .   .   6041   1
   stop_
save_