Content for NMR-STAR saveframe, "assigned_chem_shift_list_pH_2_3"

    save_assigned_chem_shift_list_pH_2_3
   _Assigned_chem_shift_list.Sf_category                   assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                  assigned_chem_shift_list_pH_2_3
   _Assigned_chem_shift_list.Entry_ID                      28124
   _Assigned_chem_shift_list.ID                            1
   _Assigned_chem_shift_list.Name                          .
   _Assigned_chem_shift_list.Sample_condition_list_ID      1
   _Assigned_chem_shift_list.Sample_condition_list_label   $sample_conditions_1
   _Assigned_chem_shift_list.Chem_shift_reference_ID       1
   _Assigned_chem_shift_list.Chem_shift_reference_label    $chemical_shift_reference_1
   _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 1H-13C HSQC'   .   .   .   28124   1
      4   '2D 1H-13C HMBC'   .   .   .   28124   1
   stop_

   loop_
      _Atom_chem_shift.ID
      _Atom_chem_shift.Assembly_atom_ID
      _Atom_chem_shift.Entity_assembly_ID
      _Atom_chem_shift.Entity_assembly_asym_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   ACE   H1    H   1    2.075     0.005   .   1   .   .   .   .   .   1   ACE   H     .   28124   1
      2    .   1   .   1   1   1   ACE   H2    H   1    2.075     0.005   .   1   .   .   .   .   .   1   ACE   H     .   28124   1
      3    .   1   .   1   1   1   ACE   H3    H   1    2.075     0.005   .   1   .   .   .   .   .   1   ACE   H     .   28124   1
      4    .   1   .   1   1   1   ACE   CH3   C   13   24.469    0.100   .   1   .   .   .   .   .   1   ACE   C     .   28124   1
      5    .   1   .   1   2   2   GLY   HA2   H   1    3.879     0.005   .   1   .   .   .   .   .   2   GLY   HA    .   28124   1
      6    .   1   .   1   2   2   GLY   HA3   H   1    3.879     0.005   .   1   .   .   .   .   .   2   GLY   HA    .   28124   1
      7    .   1   .   1   2   2   GLY   CA    C   13   45.212    0.100   .   1   .   .   .   .   .   2   GLY   CA    .   28124   1
      8    .   1   .   1   3   3   GLY   HA2   H   1    4.010     0.005   .   1   .   .   .   .   .   3   GLY   HA    .   28124   1
      9    .   1   .   1   3   3   GLY   HA3   H   1    4.010     0.005   .   1   .   .   .   .   .   3   GLY   HA    .   28124   1
      10   .   1   .   1   3   3   GLY   CA    C   13   45.226    0.100   .   1   .   .   .   .   .   3   GLY   CA    .   28124   1
      11   .   1   .   1   4   4   4PQ   H4    H   1    4.725     0.005   .   1   .   .   .   .   .   4   4PQ   H4    .   28124   1
      12   .   1   .   1   4   4   4PQ   H5    H   1    3.207     0.005   .   2   .   .   .   .   .   4   4PQ   H5    .   28124   1
      13   .   1   .   1   4   4   4PQ   H6    H   1    3.244     0.005   .   2   .   .   .   .   .   4   4PQ   H6    .   28124   1
      14   .   1   .   1   4   4   4PQ   H7    H   1    7.250     0.005   .   1   .   .   .   .   .   4   4PQ   H7    .   28124   1
      15   .   1   .   1   4   4   4PQ   H9    H   1    7.370     0.005   .   1   .   .   .   .   .   4   4PQ   H9    .   28124   1
      16   .   1   .   1   4   4   4PQ   H10   H   1    6.840     0.005   .   1   .   .   .   .   .   4   4PQ   H10   .   28124   1
      17   .   1   .   1   4   4   4PQ   H11   H   1    7.050     0.005   .   1   .   .   .   .   .   4   4PQ   H11   .   28124   1
      18   .   1   .   1   4   4   4PQ   C     C   13   176.634   0.100   .   1   .   .   .   .   .   4   4PQ   C     .   28124   1
      19   .   1   .   1   4   4   4PQ   CA    C   13   57.526    0.100   .   1   .   .   .   .   .   4   4PQ   CA    .   28124   1
      20   .   1   .   1   4   4   4PQ   CB    C   13   29.956    0.100   .   1   .   .   .   .   .   4   4PQ   CB    .   28124   1
      21   .   1   .   1   4   4   4PQ   CG    C   13   110.986   0.100   .   1   .   .   .   .   .   4   4PQ   CG    .   28124   1
      22   .   1   .   1   4   4   4PQ   CD1   C   13   128.297   0.100   .   1   .   .   .   .   .   4   4PQ   CD1   .   28124   1
      23   .   1   .   1   4   4   4PQ   CD2   C   13   130.316   0.100   .   1   .   .   .   .   .   4   4PQ   CD2   .   28124   1
      24   .   1   .   1   4   4   4PQ   CE2   C   13   133.960   0.100   .   1   .   .   .   .   .   4   4PQ   CE2   .   28124   1
      25   .   1   .   1   4   4   4PQ   CE3   C   13   105.277   0.100   .   1   .   .   .   .   .   4   4PQ   CE3   .   28124   1
      26   .   1   .   1   4   4   4PQ   CZ2   C   13   115.486   0.100   .   1   .   .   .   .   .   4   4PQ   CZ2   .   28124   1
      27   .   1   .   1   4   4   4PQ   CZ3   C   13   151.641   0.100   .   1   .   .   .   .   .   4   4PQ   CZ3   .   28124   1
      28   .   1   .   1   4   4   4PQ   CH2   C   13   114.534   0.100   .   1   .   .   .   .   .   4   4PQ   CH2   .   28124   1
      29   .   1   .   1   5   5   GLY   HA2   H   1    4.084     0.005   .   1   .   .   .   .   .   5   GLY   HA    .   28124   1
      30   .   1   .   1   5   5   GLY   HA3   H   1    4.084     0.005   .   1   .   .   .   .   .   5   GLY   HA    .   28124   1
      31   .   1   .   1   5   5   GLY   CA    C   13   45.160    0.100   .   1   .   .   .   .   .   5   GLY   CA    .   28124   1
      32   .   1   .   1   6   6   GLY   HA2   H   1    3.938     0.005   .   1   .   .   .   .   .   6   GLY   HA    .   28124   1
      33   .   1   .   1   6   6   GLY   HA3   H   1    3.938     0.005   .   1   .   .   .   .   .   6   GLY   HA    .   28124   1
      34   .   1   .   1   6   6   GLY   CA    C   13   44.762    0.100   .   1   .   .   .   .   .   6   GLY   CA    .   28124   1
   stop_
save_