Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"

    save_assigned_chem_shift_list_1
   _Assigned_chem_shift_list.Sf_category                   assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                  assigned_chem_shift_list_1
   _Assigned_chem_shift_list.Entry_ID                      21019
   _Assigned_chem_shift_list.ID                            1
   _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-1H NOESY' . . . 21019 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.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 VAL HA   H 1 3.941 0.020 . 1 . . . A  1 VAL HA   . 21019 1 
       2 . 1 1  1  1 VAL HG11 H 1 1.069 0.020 . 2 . . . A  1 VAL HG11 . 21019 1 
       3 . 1 1  1  1 VAL HG12 H 1 1.069 0.020 . 2 . . . A  1 VAL HG12 . 21019 1 
       4 . 1 1  1  1 VAL HG13 H 1 1.069 0.020 . 2 . . . A  1 VAL HG13 . 21019 1 
       5 . 1 1  1  1 VAL HG21 H 1 0.952 0.020 . 2 . . . A  1 VAL HG21 . 21019 1 
       6 . 1 1  1  1 VAL HG22 H 1 0.952 0.020 . 2 . . . A  1 VAL HG22 . 21019 1 
       7 . 1 1  1  1 VAL HG23 H 1 0.952 0.020 . 2 . . . A  1 VAL HG23 . 21019 1 
       8 . 1 1  2  2 TYR H    H 1 8.578 0.020 . 1 . . . A  2 TYR H    . 21019 1 
       9 . 1 1  2  2 TYR HA   H 1 4.730 0.020 . 1 . . . A  2 TYR HA   . 21019 1 
      10 . 1 1  2  2 TYR HB2  H 1 2.823 0.020 . 2 . . . A  2 TYR HB2  . 21019 1 
      11 . 1 1  3  3 PRO HB3  H 1 2.279 0.020 . 2 . . . A  3 PRO HB3  . 21019 1 
      12 . 1 1  3  3 PRO HD2  H 1 3.756 0.020 . 2 . . . A  3 PRO HD2  . 21019 1 
      13 . 1 1  4  4 PHE H    H 1 7.404 0.020 . 1 . . . A  4 PHE H    . 21019 1 
      14 . 1 1  4  4 PHE HA   H 1 4.503 0.020 . 1 . . . A  4 PHE HA   . 21019 1 
      15 . 1 1  4  4 PHE HB2  H 1 3.007 0.020 . 2 . . . A  4 PHE HB2  . 21019 1 
      16 . 1 1  5  5 MET H    H 1 8.021 0.020 . 1 . . . A  5 MET H    . 21019 1 
      17 . 1 1  5  5 MET HA   H 1 4.407 0.020 . 1 . . . A  5 MET HA   . 21019 1 
      18 . 1 1  5  5 MET HB2  H 1 1.866 0.020 . 2 . . . A  5 MET HB2  . 21019 1 
      19 . 1 1  5  5 MET HB3  H 1 1.945 0.020 . 2 . . . A  5 MET HB3  . 21019 1 
      20 . 1 1  5  5 MET HG2  H 1 2.311 0.020 . 2 . . . A  5 MET HG2  . 21019 1 
      21 . 1 1  6  6 TRP H    H 1 7.834 0.020 . 1 . . . A  6 TRP H    . 21019 1 
      22 . 1 1  6  6 TRP HA   H 1 4.667 0.020 . 1 . . . A  6 TRP HA   . 21019 1 
      23 . 1 1  6  6 TRP HB2  H 1 3.312 0.020 . 2 . . . A  6 TRP HB2  . 21019 1 
      24 . 1 1  6  6 TRP HB3  H 1 3.222 0.020 . 2 . . . A  6 TRP HB3  . 21019 1 
      25 . 1 1  7  7 GLY H    H 1 8.283 0.020 . 1 . . . A  7 GLY H    . 21019 1 
      26 . 1 1  7  7 GLY HA2  H 1 3.859 0.020 . 1 . . . A  7 GLY HA2  . 21019 1 
      27 . 1 1  7  7 GLY HA3  H 1 3.859 0.020 . 1 . . . A  7 GLY HA3  . 21019 1 
      28 . 1 1  8  8 GLY H    H 1 7.951 0.020 . 1 . . . A  8 GLY H    . 21019 1 
      29 . 1 1  8  8 GLY HA2  H 1 3.787 0.020 . 1 . . . A  8 GLY HA2  . 21019 1 
      30 . 1 1  8  8 GLY HA3  H 1 3.787 0.020 . 1 . . . A  8 GLY HA3  . 21019 1 
      31 . 1 1  9  9 ALA H    H 1 8.026 0.020 . 1 . . . A  9 ALA H    . 21019 1 
      32 . 1 1  9  9 ALA HA   H 1 4.177 0.020 . 1 . . . A  9 ALA HA   . 21019 1 
      33 . 1 1  9  9 ALA HB1  H 1 1.256 0.020 . 2 . . . A  9 ALA HB1  . 21019 1 
      34 . 1 1  9  9 ALA HB2  H 1 1.256 0.020 . 2 . . . A  9 ALA HB2  . 21019 1 
      35 . 1 1  9  9 ALA HB3  H 1 1.256 0.020 . 2 . . . A  9 ALA HB3  . 21019 1 
      36 . 1 1 10 10 TYR H    H 1 7.965 0.020 . 1 . . . A 10 TYR H    . 21019 1 
      37 . 1 1 10 10 TYR HA   H 1 4.415 0.020 . 1 . . . A 10 TYR HA   . 21019 1 
      38 . 1 1 10 10 TYR HB2  H 1 2.983 0.020 . 2 . . . A 10 TYR HB2  . 21019 1 
      39 . 1 1 10 10 TYR HB3  H 1 2.879 0.020 . 2 . . . A 10 TYR HB3  . 21019 1 
      40 . 1 1 11 11 CYS H    H 1 7.845 0.020 . 1 . . . A 11 CYS H    . 21019 1 
      41 . 1 1 11 11 CYS HA   H 1 4.327 0.020 . 1 . . . A 11 CYS HA   . 21019 1 
      42 . 1 1 11 11 CYS HB2  H 1 2.736 0.020 . 2 . . . A 11 CYS HB2  . 21019 1 
      43 . 1 1 12 12 PHE H    H 1 8.087 0.020 . 1 . . . A 12 PHE H    . 21019 1 
      44 . 1 1 12 12 PHE HA   H 1 4.579 0.020 . 1 . . . A 12 PHE HA   . 21019 1 
      45 . 1 1 12 12 PHE HB2  H 1 3.185 0.020 . 2 . . . A 12 PHE HB2  . 21019 1 
      46 . 1 1 12 12 PHE HB3  H 1 3.039 0.020 . 2 . . . A 12 PHE HB3  . 21019 1 
      47 . 1 1 13 13 CYS H    H 1 8.056 0.020 . 1 . . . A 13 CYS H    . 21019 1 
      48 . 1 1 13 13 CYS HA   H 1 4.451 0.020 . 1 . . . A 13 CYS HA   . 21019 1 
      49 . 1 1 13 13 CYS HB2  H 1 2.880 0.020 . 2 . . . A 13 CYS HB2  . 21019 1 
      50 . 1 1 14 14 ASP H    H 1 8.361 0.020 . 1 . . . A 14 ASP H    . 21019 1 
      51 . 1 1 14 14 ASP HA   H 1 4.594 0.020 . 1 . . . A 14 ASP HA   . 21019 1 
      52 . 1 1 14 14 ASP HB2  H 1 2.641 0.020 . 2 . . . A 14 ASP HB2  . 21019 1 
      53 . 1 1 14 14 ASP HB3  H 1 2.748 0.020 . 2 . . . A 14 ASP HB3  . 21019 1 
      54 . 1 1 15 15 ALA H    H 1 8.152 0.020 . 1 . . . A 15 ALA H    . 21019 1 
      55 . 1 1 15 15 ALA HA   H 1 4.256 0.020 . 1 . . . A 15 ALA HA   . 21019 1 
      56 . 1 1 15 15 ALA HB1  H 1 1.352 0.020 . 2 . . . A 15 ALA HB2  . 21019 1 
      57 . 1 1 15 15 ALA HB2  H 1 1.352 0.020 . 2 . . . A 15 ALA HB2  . 21019 1 
      58 . 1 1 15 15 ALA HB3  H 1 1.352 0.020 . 2 . . . A 15 ALA HB2  . 21019 1 
      59 . 1 1 16 16 GLU H    H 1 8.229 0.020 . 1 . . . A 16 GLU H    . 21019 1 
      60 . 1 1 16 16 GLU HA   H 1 4.263 0.020 . 1 . . . A 16 GLU HA   . 21019 1 
      61 . 1 1 16 16 GLU HB2  H 1 1.935 0.020 . 2 . . . A 16 GLU HB2  . 21019 1 
      62 . 1 1 16 16 GLU HB3  H 1 2.074 0.020 . 2 . . . A 16 GLU HB3  . 21019 1 
      63 . 1 1 16 16 GLU HG2  H 1 2.325 0.020 . 2 . . . A 16 GLU HG2  . 21019 1 
      64 . 1 1 17 17 ASN H    H 1 8.295 0.020 . 1 . . . A 17 ASN H    . 21019 1 
      65 . 1 1 17 17 ASN HA   H 1 4.755 0.020 . 1 . . . A 17 ASN HA   . 21019 1 
      66 . 1 1 17 17 ASN HB2  H 1 2.712 0.020 . 2 . . . A 17 ASN HB2  . 21019 1 
      67 . 1 1 17 17 ASN HB3  H 1 2.837 0.020 . 2 . . . A 17 ASN HB3  . 21019 1 
      68 . 1 1 18 18 THR H    H 1 7.682 0.020 . 1 . . . A 18 THR H    . 21019 1 
      69 . 1 1 18 18 THR HA   H 1 4.141 0.020 . 1 . . . A 18 THR HA   . 21019 1 

   stop_

save_