Content for NMR-STAR saveframe, "1H_chem_shift"

    save_1H_chem_shift
   _Assigned_chem_shift_list.Sf_category                   assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                  1H_chem_shift
   _Assigned_chem_shift_list.Entry_ID                      6825
   _Assigned_chem_shift_list.ID                            1
   _Assigned_chem_shift_list.Sample_condition_list_ID      1
   _Assigned_chem_shift_list.Sample_condition_list_label  $conditions_1
   _Assigned_chem_shift_list.Chem_shift_reference_ID       1
   _Assigned_chem_shift_list.Chem_shift_reference_label   $chemical_shift_referencing
   _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 unknown 1 $sample_1 isotropic 6825 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 GLY HA2  H 1 3.76 . . . . . . .  1 GLY HA2  . 6825 1 
        2 . 1 1  2  2 VAL HA   H 1 4.18 . . . . . . .  2 VAL HA   . 6825 1 
        3 . 1 1  2  2 VAL HB   H 1 2.10 . . . . . . .  2 VAL HB   . 6825 1 
        4 . 1 1  2  2 VAL HG11 H 1 0.95 . . . . . . .  2 VAL HG1  . 6825 1 
        5 . 1 1  2  2 VAL HG12 H 1 0.95 . . . . . . .  2 VAL HG1  . 6825 1 
        6 . 1 1  2  2 VAL HG13 H 1 0.95 . . . . . . .  2 VAL HG1  . 6825 1 
        7 . 1 1  2  2 VAL HG21 H 1 0.95 . . . . . . .  2 VAL HG2  . 6825 1 
        8 . 1 1  2  2 VAL HG22 H 1 0.95 . . . . . . .  2 VAL HG2  . 6825 1 
        9 . 1 1  2  2 VAL HG23 H 1 0.95 . . . . . . .  2 VAL HG2  . 6825 1 
       10 . 1 1  3  3 ARG H    H 1 8.62 . . . . . . .  3 ARG H    . 6825 1 
       11 . 1 1  3  3 ARG HA   H 1 4.34 . . . . . . .  3 ARG HA   . 6825 1 
       12 . 1 1  3  3 ARG HB2  H 1 1.79 . . . . . . .  3 ARG HB2  . 6825 1 
       13 . 1 1  3  3 ARG HG2  H 1 1.65 . . . . . . .  3 ARG HG2  . 6825 1 
       14 . 1 1  3  3 ARG HG3  H 1 1.58 . . . . . . .  3 ARG HG3  . 6825 1 
       15 . 1 1  3  3 ARG HD2  H 1 3.17 . . . . . . .  3 ARG HD2  . 6825 1 
       16 . 1 1  3  3 ARG HD3  H 1 3.17 . . . . . . .  3 ARG HD3  . 6825 1 
       17 . 1 1  4  4 ASN H    H 1 8.64 . . . . . . .  4 ASN H    . 6825 1 
       18 . 1 1  4  4 ASN HA   H 1 4.72 . . . . . . .  4 ASN HA   . 6825 1 
       19 . 1 1  4  4 ASN HB2  H 1 3.00 . . . . . . .  4 ASN HB2  . 6825 1 
       20 . 1 1  4  4 ASN HB3  H 1 2.74 . . . . . . .  4 ASN HB3  . 6825 1 
       21 . 1 1  5  5 ILE H    H 1 8.28 . . . . . . .  5 ILE H    . 6825 1 
       22 . 1 1  5  5 ILE HA   H 1 4.17 . . . . . . .  5 ILE HA   . 6825 1 
       23 . 1 1  5  5 ILE HB   H 1 1.91 . . . . . . .  5 ILE HB   . 6825 1 
       24 . 1 1  5  5 ILE HG12 H 1 1.50 . . . . . . .  5 ILE HG12 . 6825 1 
       25 . 1 1  5  5 ILE HG13 H 1 1.20 . . . . . . .  5 ILE HG13 . 6825 1 
       26 . 1 1  5  5 ILE HG21 H 1 0.89 . . . . . . .  5 ILE HG2  . 6825 1 
       27 . 1 1  5  5 ILE HG22 H 1 0.89 . . . . . . .  5 ILE HG2  . 6825 1 
       28 . 1 1  5  5 ILE HG23 H 1 0.89 . . . . . . .  5 ILE HG2  . 6825 1 
       29 . 1 1  5  5 ILE HD11 H 1 0.90 . . . . . . .  5 ILE HD1  . 6825 1 
       30 . 1 1  5  5 ILE HD12 H 1 0.90 . . . . . . .  5 ILE HD1  . 6825 1 
       31 . 1 1  5  5 ILE HD13 H 1 0.90 . . . . . . .  5 ILE HD1  . 6825 1 
       32 . 1 1  6  6 LYS H    H 1 8.44 . . . . . . .  6 LYS H    . 6825 1 
       33 . 1 1  6  6 LYS HA   H 1 4.25 . . . . . . .  6 LYS HA   . 6825 1 
       34 . 1 1  6  6 LYS HB2  H 1 1.87 . . . . . . .  6 LYS HB2  . 6825 1 
       35 . 1 1  6  6 LYS HB3  H 1 1.75 . . . . . . .  6 LYS HB3  . 6825 1 
       36 . 1 1  6  6 LYS HG2  H 1 1.44 . . . . . . .  6 LYS HG2  . 6825 1 
       37 . 1 1  6  6 LYS HG3  H 1 1.44 . . . . . . .  6 LYS HG3  . 6825 1 
       38 . 1 1  6  6 LYS HD2  H 1 1.68 . . . . . . .  6 LYS HD2  . 6825 1 
       39 . 1 1  6  6 LYS HZ1  H 1 2.97 . . . . . . .  6 LYS HZ   . 6825 1 
       40 . 1 1  6  6 LYS HZ2  H 1 2.97 . . . . . . .  6 LYS HZ   . 6825 1 
       41 . 1 1  6  6 LYS HZ3  H 1 2.97 . . . . . . .  6 LYS HZ   . 6825 1 
       42 . 1 1  7  7 SER H    H 1 8.36 . . . . . . .  7 SER H    . 6825 1 
       43 . 1 1  7  7 SER HA   H 1 4.38 . . . . . . .  7 SER HA   . 6825 1 
       44 . 1 1  7  7 SER HB2  H 1 3.85 . . . . . . .  7 SER HB2  . 6825 1 
       45 . 1 1  7  7 SER HB3  H 1 3.77 . . . . . . .  7 SER HB3  . 6825 1 
       46 . 1 1  8  8 MET H    H 1 8.41 . . . . . . .  8 MET H    . 6825 1 
       47 . 1 1  8  8 MET HA   H 1 4.39 . . . . . . .  8 MET HA   . 6825 1 
       48 . 1 1  8  8 MET HB2  H 1 2.00 . . . . . . .  8 MET HB2  . 6825 1 
       49 . 1 1  8  8 MET HB3  H 1 1.90 . . . . . . .  8 MET HB3  . 6825 1 
       50 . 1 1  8  8 MET HG2  H 1 2.36 . . . . . . .  8 MET HG2  . 6825 1 
       51 . 1 1  9  9 TRP H    H 1 8.06 . . . . . . .  9 TRP H    . 6825 1 
       52 . 1 1  9  9 TRP HA   H 1 4.69 . . . . . . .  9 TRP HA   . 6825 1 
       53 . 1 1  9  9 TRP HB2  H 1 3.35 . . . . . . .  9 TRP HB2  . 6825 1 
       54 . 1 1  9  9 TRP HB3  H 1 3.22 . . . . . . .  9 TRP HB3  . 6825 1 
       55 . 1 1  9  9 TRP HD1  H 1 7.24 . . . . . . .  9 TRP HD1  . 6825 1 
       56 . 1 1  9  9 TRP HE1  H 1 7.61 . . . . . . .  9 TRP HE1  . 6825 1 
       57 . 1 1  9  9 TRP HE3  H 1 7.48 . . . . . . .  9 TRP HE3  . 6825 1 
       58 . 1 1  9  9 TRP HZ2  H 1 7.15 . . . . . . .  9 TRP HZ2  . 6825 1 
       59 . 1 1  9  9 TRP HZ3  H 1 7.23 . . . . . . .  9 TRP HZ3  . 6825 1 
       60 . 1 1 10 10 GLU H    H 1 8.09 . . . . . . . 10 GLU H    . 6825 1 
       61 . 1 1 10 10 GLU HA   H 1 4.20 . . . . . . . 10 GLU HA   . 6825 1 
       62 . 1 1 10 10 GLU HB2  H 1 2.10 . . . . . . . 10 GLU HB2  . 6825 1 
       63 . 1 1 10 10 GLU HB3  H 1 2.00 . . . . . . . 10 GLU HB3  . 6825 1 
       64 . 1 1 10 10 GLU HG2  H 1 2.30 . . . . . . . 10 GLU HG2  . 6825 1 
       65 . 1 1 11 11 LYS H    H 1 8.30 . . . . . . . 11 LYS H    . 6825 1 
       66 . 1 1 11 11 LYS HA   H 1 4.18 . . . . . . . 11 LYS HA   . 6825 1 
       67 . 1 1 11 11 LYS HB2  H 1 1.78 . . . . . . . 11 LYS HB2  . 6825 1 
       68 . 1 1 11 11 LYS HB3  H 1 1.68 . . . . . . . 11 LYS HB3  . 6825 1 
       69 . 1 1 11 11 LYS HG2  H 1 1.45 . . . . . . . 11 LYS HG2  . 6825 1 
       70 . 1 1 11 11 LYS HG3  H 1 1.45 . . . . . . . 11 LYS HG3  . 6825 1 
       71 . 1 1 11 11 LYS HD2  H 1 1.68 . . . . . . . 11 LYS HD2  . 6825 1 
       72 . 1 1 11 11 LYS HZ1  H 1 2.97 . . . . . . . 11 LYS HZ   . 6825 1 
       73 . 1 1 11 11 LYS HZ2  H 1 2.97 . . . . . . . 11 LYS HZ   . 6825 1 
       74 . 1 1 11 11 LYS HZ3  H 1 2.97 . . . . . . . 11 LYS HZ   . 6825 1 
       75 . 1 1 12 12 GLY H    H 1 8.41 . . . . . . . 12 GLY H    . 6825 1 
       76 . 1 1 12 12 GLY HA2  H 1 3.95 . . . . . . . 12 GLY HA2  . 6825 1 
       77 . 1 1 13 13 ASN H    H 1 8.30 . . . . . . . 13 ASN H    . 6825 1 
       78 . 1 1 13 13 ASN HA   H 1 4.71 . . . . . . . 13 ASN HA   . 6825 1 
       79 . 1 1 13 13 ASN HB2  H 1 2.74 . . . . . . . 13 ASN HB2  . 6825 1 
       80 . 1 1 13 13 ASN HB3  H 1 2.68 . . . . . . . 13 ASN HB3  . 6825 1 
       81 . 1 1 14 14 VAL H    H 1 8.07 . . . . . . . 14 VAL H    . 6825 1 
       82 . 1 1 14 14 VAL HA   H 1 4.06 . . . . . . . 14 VAL HA   . 6825 1 
       83 . 1 1 14 14 VAL HB   H 1 1.99 . . . . . . . 14 VAL HB   . 6825 1 
       84 . 1 1 14 14 VAL HG11 H 1 0.80 . . . . . . . 14 VAL HG1  . 6825 1 
       85 . 1 1 14 14 VAL HG12 H 1 0.80 . . . . . . . 14 VAL HG1  . 6825 1 
       86 . 1 1 14 14 VAL HG13 H 1 0.80 . . . . . . . 14 VAL HG1  . 6825 1 
       87 . 1 1 15 15 PHE H    H 1 8.41 . . . . . . . 15 PHE H    . 6825 1 
       88 . 1 1 15 15 PHE HA   H 1 4.72 . . . . . . . 15 PHE HA   . 6825 1 
       89 . 1 1 15 15 PHE HB2  H 1 3.18 . . . . . . . 15 PHE HB2  . 6825 1 
       90 . 1 1 15 15 PHE HB3  H 1 3.00 . . . . . . . 15 PHE HB3  . 6825 1 
       91 . 1 1 15 15 PHE HD1  H 1 7.30 . . . . . . . 15 PHE HD1  . 6825 1 
       92 . 1 1 15 15 PHE HE1  H 1 7.36 . . . . . . . 15 PHE HE1  . 6825 1 
       93 . 1 1 15 15 PHE HZ   H 1 7.13 . . . . . . . 15 PHE HZ   . 6825 1 
       94 . 1 1 16 16 SER H    H 1 8.26 . . . . . . . 16 SER H    . 6825 1 
       95 . 1 1 16 16 SER HA   H 1 4.49 . . . . . . . 16 SER HA   . 6825 1 
       96 . 1 1 16 16 SER HB2  H 1 3.86 . . . . . . . 16 SER HB2  . 6825 1 
       97 . 1 1 16 16 SER HB3  H 1 3.86 . . . . . . . 16 SER HB3  . 6825 1 
       98 . 1 1 17 17 SER H    H 1 8.02 . . . . . . . 17 SER H    . 6825 1 
       99 . 1 1 17 17 SER HA   H 1 4.27 . . . . . . . 17 SER HA   . 6825 1 
      100 . 1 1 17 17 SER HB2  H 1 3.88 . . . . . . . 17 SER HB2  . 6825 1 
      101 . 1 1 17 17 SER HB3  H 1 3.88 . . . . . . . 17 SER HB3  . 6825 1 

   stop_

save_