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                      15639
   _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 DQF-COSY'    . . . 15639 1 
      2 '2D 1H-1H TOCSY' . . . 15639 1 
      3 '2D 1H-1H NOESY' . . . 15639 1 

   stop_

   loop_
      _Chem_shift_software.Software_ID
      _Chem_shift_software.Software_label
      _Chem_shift_software.Method_ID
      _Chem_shift_software.Method_label
      _Chem_shift_software.Entry_ID
      _Chem_shift_software.Assigned_chem_shift_list_ID

      1 $DELTA . . 15639 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 NLQ H    H 1 8.52 0.02 . 1 . . . .  1 GLN H    . 15639 1 
        2 . 1 1  1  1 NLQ HA   H 1 4.34 0.02 . 1 . . . .  1 GLN HA   . 15639 1 
        3 . 1 1  1  1 NLQ HB2  H 1 1.96 0.02 . 2 . . . .  1 GLN HB2  . 15639 1 
        4 . 1 1  1  1 NLQ HB3  H 1 2.09 0.02 . 2 . . . .  1 GLN HB3  . 15639 1 
        5 . 1 1  1  1 NLQ HE21 H 1 7.68 0.02 . 1 . . . .  1 GLN HE21 . 15639 1 
        6 . 1 1  1  1 NLQ HE22 H 1 7.68 0.02 . 1 . . . .  1 GLN HE22 . 15639 1 
        7 . 1 1  1  1 NLQ HG2  H 1 2.38 0.02 . 1 . . . .  1 GLN HG2  . 15639 1 
        8 . 1 1  1  1 NLQ HG3  H 1 2.38 0.02 . 1 . . . .  1 GLN HG3  . 15639 1 
        9 . 1 1  2  2 THR H    H 1 8.43 0.02 . 1 . . . .  2 THR H    . 15639 1 
       10 . 1 1  2  2 THR HA   H 1 4.44 0.02 . 1 . . . .  2 THR HA   . 15639 1 
       11 . 1 1  2  2 THR HB   H 1 4.32 0.02 . 1 . . . .  2 THR HB   . 15639 1 
       12 . 1 1  2  2 THR HG21 H 1 1.22 0.02 . 1 . . . .  2 THR HG2  . 15639 1 
       13 . 1 1  2  2 THR HG22 H 1 1.22 0.02 . 1 . . . .  2 THR HG2  . 15639 1 
       14 . 1 1  2  2 THR HG23 H 1 1.22 0.02 . 1 . . . .  2 THR HG2  . 15639 1 
       15 . 1 1  3  3 ALA H    H 1 8.46 0.02 . 1 . . . .  3 ALA H    . 15639 1 
       16 . 1 1  3  3 ALA HA   H 1 4.28 0.02 . 1 . . . .  3 ALA HA   . 15639 1 
       17 . 1 1  3  3 ALA HB1  H 1 1.37 0.02 . 1 . . . .  3 ALA HB   . 15639 1 
       18 . 1 1  3  3 ALA HB2  H 1 1.37 0.02 . 1 . . . .  3 ALA HB   . 15639 1 
       19 . 1 1  3  3 ALA HB3  H 1 1.37 0.02 . 1 . . . .  3 ALA HB   . 15639 1 
       20 . 1 1  4  4 ARG H    H 1 8.48 0.02 . 1 . . . .  4 ARG H    . 15639 1 
       21 . 1 1  4  4 ARG HA   H 1 4.28 0.02 . 1 . . . .  4 ARG HA   . 15639 1 
       22 . 1 1  4  4 ARG HB2  H 1 1.75 0.02 . 2 . . . .  4 ARG HB2  . 15639 1 
       23 . 1 1  4  4 ARG HB3  H 1 1.8  0.02 . 2 . . . .  4 ARG HB3  . 15639 1 
       24 . 1 1  4  4 ARG HD2  H 1 3.18 0.02 . 1 . . . .  4 ARG HD2  . 15639 1 
       25 . 1 1  4  4 ARG HD3  H 1 3.18 0.02 . 1 . . . .  4 ARG HD3  . 15639 1 
       26 . 1 1  4  4 ARG HE   H 1 7.24 0.02 . 1 . . . .  4 ARG HE   . 15639 1 
       27 . 1 1  4  4 ARG HG2  H 1 1.63 0.02 . 1 . . . .  4 ARG HG2  . 15639 1 
       28 . 1 1  4  4 ARG HG3  H 1 1.63 0.02 . 1 . . . .  4 ARG HG3  . 15639 1 
       29 . 1 1  5  5 LYS H    H 1 8.64 0.02 . 1 . . . .  5 LYS H    . 15639 1 
       30 . 1 1  5  5 LYS HA   H 1 4.32 0.02 . 1 . . . .  5 LYS HA   . 15639 1 
       31 . 1 1  5  5 LYS HB2  H 1 1.77 0.02 . 2 . . . .  5 LYS HB2  . 15639 1 
       32 . 1 1  5  5 LYS HB3  H 1 1.83 0.02 . 2 . . . .  5 LYS HB3  . 15639 1 
       33 . 1 1  5  5 LYS HD2  H 1 1.67 0.02 . 1 . . . .  5 LYS HD2  . 15639 1 
       34 . 1 1  5  5 LYS HD3  H 1 1.67 0.02 . 1 . . . .  5 LYS HD3  . 15639 1 
       35 . 1 1  5  5 LYS HE2  H 1 3.02 0.02 . 1 . . . .  5 LYS HE2  . 15639 1 
       36 . 1 1  5  5 LYS HE3  H 1 3.02 0.02 . 1 . . . .  5 LYS HE3  . 15639 1 
       37 . 1 1  5  5 LYS HG2  H 1 1.45 0.02 . 1 . . . .  5 LYS HG2  . 15639 1 
       38 . 1 1  5  5 LYS HG3  H 1 1.45 0.02 . 1 . . . .  5 LYS HG3  . 15639 1 
       39 . 1 1  5  5 LYS HZ1  H 1 7.6  0.02 . 1 . . . .  5 LYS HZ   . 15639 1 
       40 . 1 1  5  5 LYS HZ2  H 1 7.6  0.02 . 1 . . . .  5 LYS HZ   . 15639 1 
       41 . 1 1  5  5 LYS HZ3  H 1 7.6  0.02 . 1 . . . .  5 LYS HZ   . 15639 1 
       42 . 1 1  6  6 GLY H    H 1 8.69 0.02 . 1 . . . .  6 GLY H    . 15639 1 
       43 . 1 1  6  6 GLY HA2  H 1 3.98 0.02 . 1 . . . .  6 GLY HA2  . 15639 1 
       44 . 1 1  6  6 GLY HA3  H 1 3.98 0.02 . 1 . . . .  6 GLY HA3  . 15639 1 
       45 . 1 1  7  7 SER H    H 1 8.35 0.02 . 1 . . . .  7 SER H    . 15639 1 
       46 . 1 1  7  7 SER HA   H 1 4.42 0.02 . 1 . . . .  7 SER HA   . 15639 1 
       47 . 1 1  7  7 SER HB2  H 1 3.86 0.02 . 1 . . . .  7 SER HB2  . 15639 1 
       48 . 1 1  7  7 SER HB3  H 1 3.86 0.02 . 1 . . . .  7 SER HB3  . 15639 1 
       49 . 1 1  8  8 ASP H    H 1 8.51 0.02 . 1 . . . .  8 ASP H    . 15639 1 
       50 . 1 1  8  8 ASP HA   H 1 4.61 0.02 . 1 . . . .  8 ASP HA   . 15639 1 
       51 . 1 1  8  8 ASP HB2  H 1 2.66 0.02 . 2 . . . .  8 ASP HB2  . 15639 1 
       52 . 1 1  8  8 ASP HB3  H 1 2.76 0.02 . 2 . . . .  8 ASP HB3  . 15639 1 
       53 . 1 1  9  9 LEU H    H 1 8.36 0.02 . 1 . . . .  9 LEU H    . 15639 1 
       54 . 1 1  9  9 LEU HA   H 1 4.38 0.02 . 1 . . . .  9 LEU HA   . 15639 1 
       55 . 1 1  9  9 LEU HB2  H 1 1.68 0.02 . 4 . . . .  9 LEU HB2  . 15639 1 
       56 . 1 1  9  9 LEU HB3  H 1 1.68 0.02 . 4 . . . .  9 LEU HB3  . 15639 1 
       57 . 1 1  9  9 LEU HD11 H 1 0.84 0.02 . 2 . . . .  9 LEU HD1  . 15639 1 
       58 . 1 1  9  9 LEU HD12 H 1 0.84 0.02 . 2 . . . .  9 LEU HD1  . 15639 1 
       59 . 1 1  9  9 LEU HD13 H 1 0.84 0.02 . 2 . . . .  9 LEU HD1  . 15639 1 
       60 . 1 1  9  9 LEU HD21 H 1 0.91 0.02 . 2 . . . .  9 LEU HD2  . 15639 1 
       61 . 1 1  9  9 LEU HD22 H 1 0.91 0.02 . 2 . . . .  9 LEU HD2  . 15639 1 
       62 . 1 1  9  9 LEU HD23 H 1 0.91 0.02 . 2 . . . .  9 LEU HD2  . 15639 1 
       63 . 1 1  9  9 LEU HG   H 1 1.62 0.02 . 4 . . . .  9 LEU HG   . 15639 1 
       64 . 1 1 10 10 THR H    H 1 8.32 0.02 . 1 . . . . 10 THR H    . 15639 1 
       65 . 1 1 10 10 THR HA   H 1 4.37 0.02 . 1 . . . . 10 THR HA   . 15639 1 
       66 . 1 1 10 10 THR HB   H 1 4.26 0.02 . 1 . . . . 10 THR HB   . 15639 1 
       67 . 1 1 10 10 THR HG21 H 1 1.2  0.02 . 1 . . . . 10 THR HG2  . 15639 1 
       68 . 1 1 10 10 THR HG22 H 1 1.2  0.02 . 1 . . . . 10 THR HG2  . 15639 1 
       69 . 1 1 10 10 THR HG23 H 1 1.2  0.02 . 1 . . . . 10 THR HG2  . 15639 1 
       70 . 1 1 11 11 THR H    H 1 8.16 0.02 . 1 . . . . 11 THR H    . 15639 1 
       71 . 1 1 11 11 THR HA   H 1 4.33 0.02 . 1 . . . . 11 THR HA   . 15639 1 
       72 . 1 1 11 11 THR HB   H 1 4.2  0.02 . 1 . . . . 11 THR HB   . 15639 1 
       73 . 1 1 11 11 THR HG21 H 1 1.18 0.02 . 1 . . . . 11 THR HG2  . 15639 1 
       74 . 1 1 11 11 THR HG22 H 1 1.18 0.02 . 1 . . . . 11 THR HG2  . 15639 1 
       75 . 1 1 11 11 THR HG23 H 1 1.18 0.02 . 1 . . . . 11 THR HG2  . 15639 1 
       76 . 1 1 12 12 GLY H    H 1 8.43 0.02 . 1 . . . . 12 GLY H    . 15639 1 
       77 . 1 1 12 12 GLY HA2  H 1 3.88 0.02 . 2 . . . . 12 GLY HA2  . 15639 1 
       78 . 1 1 12 12 GLY HA3  H 1 3.94 0.02 . 2 . . . . 12 GLY HA3  . 15639 1 
       79 . 1 1 13 13 TYR H    H 1 8.27 0.02 . 1 . . . . 13 TYR H    . 15639 1 
       80 . 1 1 13 13 TYR HA   H 1 4.53 0.02 . 1 . . . . 13 TYR HA   . 15639 1 
       81 . 1 1 13 13 TYR HB2  H 1 2.96 0.02 . 2 . . . . 13 TYR HB2  . 15639 1 
       82 . 1 1 13 13 TYR HB3  H 1 3.05 0.02 . 2 . . . . 13 TYR HB3  . 15639 1 
       83 . 1 1 13 13 TYR HD1  H 1 7.11 0.02 . 1 . . . . 13 TYR HD1  . 15639 1 
       84 . 1 1 13 13 TYR HD2  H 1 7.11 0.02 . 1 . . . . 13 TYR HD2  . 15639 1 
       85 . 1 1 13 13 TYR HE1  H 1 6.83 0.02 . 1 . . . . 13 TYR HE1  . 15639 1 
       86 . 1 1 13 13 TYR HE2  H 1 6.83 0.02 . 1 . . . . 13 TYR HE2  . 15639 1 
       87 . 1 1 14 14 GLY H    H 1 8.53 0.02 . 1 . . . . 14 GLY H    . 15639 1 
       88 . 1 1 14 14 GLY HA2  H 1 3.86 0.02 . 2 . . . . 14 GLY HA2  . 15639 1 
       89 . 1 1 14 14 GLY HA3  H 1 3.94 0.02 . 2 . . . . 14 GLY HA3  . 15639 1 
       90 . 1 1 15 15 SER H    H 1 8.3  0.02 . 1 . . . . 15 SER H    . 15639 1 
       91 . 1 1 15 15 SER HA   H 1 4.52 0.02 . 1 . . . . 15 SER HA   . 15639 1 
       92 . 1 1 15 15 SER HB2  H 1 3.85 0.02 . 2 . . . . 15 SER HB2  . 15639 1 
       93 . 1 1 15 15 SER HB3  H 1 3.92 0.02 . 2 . . . . 15 SER HB3  . 15639 1 
       94 . 1 1 16 16 THR H    H 1 8.37 0.02 . 1 . . . . 16 THR H    . 15639 1 
       95 . 1 1 16 16 THR HA   H 1 4.3  0.02 . 1 . . . . 16 THR HA   . 15639 1 
       96 . 1 1 16 16 THR HB   H 1 4.19 0.02 . 1 . . . . 16 THR HB   . 15639 1 
       97 . 1 1 16 16 THR HG21 H 1 1.21 0.02 . 1 . . . . 16 THR HG2  . 15639 1 
       98 . 1 1 16 16 THR HG22 H 1 1.21 0.02 . 1 . . . . 16 THR HG2  . 15639 1 
       99 . 1 1 16 16 THR HG23 H 1 1.21 0.02 . 1 . . . . 16 THR HG2  . 15639 1 
      100 . 1 1 17 17 SET H    H 1 8.6  0.02 . 1 . . . . 17 SER H    . 15639 1 
      101 . 1 1 17 17 SET HA   H 1 4.26 0.02 . 1 . . . . 17 SER HA   . 15639 1 
      102 . 1 1 17 17 SET HB2  H 1 3.92 0.02 . 2 . . . . 17 SER HB2  . 15639 1 
      103 . 1 1 17 17 SET HB3  H 1 3.97 0.02 . 2 . . . . 17 SER HB3  . 15639 1 

   stop_

   loop_
      _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID
      _Ambiguous_atom_chem_shift.Atom_chem_shift_ID
      _Ambiguous_atom_chem_shift.Entry_ID
      _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID

      1 55 15639 1 
      1 56 15639 1 
      1 63 15639 1 

   stop_

save_