Content for NMR-STAR saveframe, "chem_shift_list_1"

    save_chem_shift_list_1
   _Assigned_chem_shift_list.Sf_category                   assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                  chem_shift_list_1
   _Assigned_chem_shift_list.Entry_ID                      7214
   _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 $sample_1 isotropic 7214 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 PHE HA   H 1 4.30 0.02 . 1 . . . .  1 PHE HA  . 7214 1 
        2 . 1 1  1  1 PHE HB3  H 1 3.21 0.02 . 1 . . . .  1 PHE HB3 . 7214 1 
        3 . 1 1  1  1 PHE HD1  H 1 7.29 0.02 . 1 . . . .  1 PHE HD1 . 7214 1 
        4 . 1 1  1  1 PHE HE1  H 1 7.40 0.02 . 1 . . . .  1 PHE HE1 . 7214 1 
        5 . 1 1  2  2 GLY H    H 1 8.84 0.02 . 1 . . . .  2 GLY H   . 7214 1 
        6 . 1 1  2  2 GLY HA2  H 1 3.86 0.02 . 2 . . . .  2 GLY HA2 . 7214 1 
        7 . 1 1  2  2 GLY HA3  H 1 3.99 0.02 . 2 . . . .  2 GLY HA3 . 7214 1 
        8 . 1 1  3  3 GLY H    H 1 8.35 0.02 . 1 . . . .  3 GLY H   . 7214 1 
        9 . 1 1  3  3 GLY HA3  H 1 3.98 0.02 . 1 . . . .  3 GLY HA3 . 7214 1 
       10 . 1 1  4  4 VAL H    H 1 8.21 0.02 . 1 . . . .  4 VAL H   . 7214 1 
       11 . 1 1  4  4 VAL HA   H 1 4.17 0.02 . 1 . . . .  4 VAL HA  . 7214 1 
       12 . 1 1  4  4 VAL HB   H 1 2.11 0.02 . 1 . . . .  4 VAL HB  . 7214 1 
       13 . 1 1  4  4 VAL HG11 H 1 0.94 0.02 . 1 . . . .  4 VAL HG1 . 7214 1 
       14 . 1 1  4  4 VAL HG12 H 1 0.94 0.02 . 1 . . . .  4 VAL HG1 . 7214 1 
       15 . 1 1  4  4 VAL HG13 H 1 0.94 0.02 . 1 . . . .  4 VAL HG1 . 7214 1 
       16 . 1 1  5  5 SER H    H 1 8.64 0.02 . 1 . . . .  5 SER H   . 7214 1 
       17 . 1 1  5  5 SER HA   H 1 4.47 0.02 . 1 . . . .  5 SER HA  . 7214 1 
       18 . 1 1  5  5 SER HB2  H 1 3.85 0.02 . 2 . . . .  5 SER HB2 . 7214 1 
       19 . 1 1  5  5 SER HB3  H 1 3.89 0.02 . 2 . . . .  5 SER HB3 . 7214 1 
       20 . 1 1  6  6 ASP H    H 1 8.49 0.02 . 1 . . . .  6 ASP H   . 7214 1 
       21 . 1 1  6  6 ASP HA   H 1 4.58 0.02 . 1 . . . .  6 ASP HA  . 7214 1 
       22 . 1 1  6  6 ASP HB2  H 1 2.65 0.02 . 2 . . . .  6 ASP HB2 . 7214 1 
       23 . 1 1  6  6 ASP HB3  H 1 2.72 0.02 . 2 . . . .  6 ASP HB3 . 7214 1 
       24 . 1 1  7  7 GLU H    H 1 8.36 0.02 . 1 . . . .  7 GLU H   . 7214 1 
       25 . 1 1  7  7 GLU HA   H 1 4.21 0.02 . 1 . . . .  7 GLU HA  . 7214 1 
       26 . 1 1  7  7 GLU HB2  H 1 1.89 0.02 . 2 . . . .  7 GLU HB2 . 7214 1 
       27 . 1 1  7  7 GLU HB3  H 1 2.05 0.02 . 2 . . . .  7 GLU HB3 . 7214 1 
       28 . 1 1  7  7 GLU HG3  H 1 2.29 0.02 . 1 . . . .  7 GLU HG3 . 7214 1 
       29 . 1 1  8  8 ASP H    H 1 8.41 0.02 . 1 . . . .  8 ASP H   . 7214 1 
       30 . 1 1  8  8 ASP HA   H 1 4.61 0.02 . 1 . . . .  8 ASP HA  . 7214 1 
       31 . 1 1  8  8 ASP HB2  H 1 2.64 0.02 . 2 . . . .  8 ASP HB2 . 7214 1 
       32 . 1 1  8  8 ASP HB3  H 1 2.72 0.02 . 2 . . . .  8 ASP HB3 . 7214 1 
       33 . 1 1  9  9 VAL H    H 1 8.06 0.02 . 1 . . . .  9 VAL H   . 7214 1 
       34 . 1 1  9  9 VAL HA   H 1 4.38 0.02 . 1 . . . .  9 VAL HA  . 7214 1 
       35 . 1 1  9  9 VAL HB   H 1 2.08 0.02 . 1 . . . .  9 VAL HB  . 7214 1 
       36 . 1 1  9  9 VAL HG11 H 1 0.92 0.02 . 1 . . . .  9 VAL HG1 . 7214 1 
       37 . 1 1  9  9 VAL HG12 H 1 0.92 0.02 . 1 . . . .  9 VAL HG1 . 7214 1 
       38 . 1 1  9  9 VAL HG13 H 1 0.92 0.02 . 1 . . . .  9 VAL HG1 . 7214 1 
       39 . 1 1  9  9 VAL HG21 H 1 0.95 0.02 . 1 . . . .  9 VAL HG2 . 7214 1 
       40 . 1 1  9  9 VAL HG22 H 1 0.95 0.02 . 1 . . . .  9 VAL HG2 . 7214 1 
       41 . 1 1  9  9 VAL HG23 H 1 0.95 0.02 . 1 . . . .  9 VAL HG2 . 7214 1 
       42 . 1 1 10 10 PRO HA   H 1 4.37 0.02 . 1 . . . . 10 PRO HA  . 7214 1 
       43 . 1 1 10 10 PRO HB2  H 1 1.81 0.02 . 2 . . . . 10 PRO HB2 . 7214 1 
       44 . 1 1 10 10 PRO HB3  H 1 2.27 0.02 . 2 . . . . 10 PRO HB3 . 7214 1 
       45 . 1 1 10 10 PRO HG3  H 1 2.03 0.02 . 1 . . . . 10 PRO HG3 . 7214 1 
       46 . 1 1 10 10 PRO HD2  H 1 3.68 0.02 . 2 . . . . 10 PRO HD2 . 7214 1 
       47 . 1 1 10 10 PRO HD3  H 1 3.87 0.02 . 2 . . . . 10 PRO HD3 . 7214 1 
       48 . 1 1 11 11 SER H    H 1 8.38 0.02 . 1 . . . . 11 SER H   . 7214 1 
       49 . 1 1 11 11 SER HA   H 1 4.32 0.02 . 1 . . . . 11 SER HA  . 7214 1 
       50 . 1 1 11 11 SER HB2  H 1 3.78 0.02 . 2 . . . . 11 SER HB2 . 7214 1 
       51 . 1 1 11 11 SER HB3  H 1 3.84 0.02 . 2 . . . . 11 SER HB3 . 7214 1 
       52 . 1 1 12 12 PHE H    H 1 8.26 0.02 . 1 . . . . 12 PHE H   . 7214 1 
       53 . 1 1 12 12 PHE HA   H 1 4.53 0.02 . 1 . . . . 12 PHE HA  . 7214 1 
       54 . 1 1 12 12 PHE HB2  H 1 2.98 0.02 . 2 . . . . 12 PHE HB2 . 7214 1 
       55 . 1 1 12 12 PHE HB3  H 1 3.01 0.02 . 2 . . . . 12 PHE HB3 . 7214 1 
       56 . 1 1 12 12 PHE HD1  H 1 7.13 0.02 . 1 . . . . 12 PHE HD1 . 7214 1 
       57 . 1 1 12 12 PHE HE1  H 1 7.27 0.02 . 1 . . . . 12 PHE HE1 . 7214 1 
       58 . 1 1 12 12 PHE HZ   H 1 7.65 0.02 . 1 . . . . 12 PHE HZ  . 7214 1 
       59 . 1 1 13 13 HIS H    H 1 8.30 0.02 . 1 . . . . 13 HIS H   . 7214 1 
       60 . 1 1 13 13 HIS HA   H 1 4.57 0.02 . 1 . . . . 13 HIS HA  . 7214 1 
       61 . 1 1 13 13 HIS HB2  H 1 3.00 0.02 . 2 . . . . 13 HIS HB2 . 7214 1 
       62 . 1 1 13 13 HIS HB3  H 1 3.11 0.02 . 2 . . . . 13 HIS HB3 . 7214 1 
       63 . 1 1 13 13 HIS HD2  H 1 7.13 0.02 . 1 . . . . 13 HIS HD2 . 7214 1 
       64 . 1 1 13 13 HIS HE1  H 1 8.58 0.02 . 1 . . . . 13 HIS HE1 . 7214 1 
       65 . 1 1 14 14 PHE H    H 1 8.31 0.02 . 1 . . . . 14 PHE H   . 7214 1 
       66 . 1 1 14 14 PHE HA   H 1 4.48 0.02 . 1 . . . . 14 PHE HA  . 7214 1 
       67 . 1 1 14 14 PHE HB2  H 1 3.01 0.02 . 2 . . . . 14 PHE HB2 . 7214 1 
       68 . 1 1 14 14 PHE HB3  H 1 3.05 0.02 . 2 . . . . 14 PHE HB3 . 7214 1 
       69 . 1 1 14 14 PHE HD1  H 1 7.25 0.02 . 1 . . . . 14 PHE HD1 . 7214 1 
       70 . 1 1 14 14 PHE HE1  H 1 7.35 0.02 . 1 . . . . 14 PHE HE1 . 7214 1 
       71 . 1 1 14 14 PHE HZ   H 1 7.31 0.02 . 1 . . . . 14 PHE HZ  . 7214 1 
       72 . 1 1 15 15 LYS H    H 1 8.28 0.02 . 1 . . . . 15 LYS H   . 7214 1 
       73 . 1 1 15 15 LYS HA   H 1 4.55 0.02 . 1 . . . . 15 LYS HA  . 7214 1 
       74 . 1 1 15 15 LYS HB2  H 1 1.62 0.02 . 2 . . . . 15 LYS HB2 . 7214 1 
       75 . 1 1 15 15 LYS HB3  H 1 1.71 0.02 . 2 . . . . 15 LYS HB3 . 7214 1 
       76 . 1 1 15 15 LYS HG3  H 1 1.40 0.02 . 1 . . . . 15 LYS HG3 . 7214 1 
       77 . 1 1 15 15 LYS HD3  H 1 1.65 0.02 . 1 . . . . 15 LYS HD3 . 7214 1 
       78 . 1 1 15 15 LYS HE3  H 1 2.96 0.02 . 1 . . . . 15 LYS HE3 . 7214 1 
       79 . 1 1 15 15 LYS HZ1  H 1 7.60 0.02 . 1 . . . . 15 LYS HZ  . 7214 1 
       80 . 1 1 15 15 LYS HZ2  H 1 7.60 0.02 . 1 . . . . 15 LYS HZ  . 7214 1 
       81 . 1 1 15 15 LYS HZ3  H 1 7.60 0.02 . 1 . . . . 15 LYS HZ  . 7214 1 
       82 . 1 1 16 16 PRO HA   H 1 4.56 0.02 . 1 . . . . 16 PRO HA  . 7214 1 
       83 . 1 1 16 16 PRO HB2  H 1 1.89 0.02 . 2 . . . . 16 PRO HB2 . 7214 1 
       84 . 1 1 16 16 PRO HB3  H 1 2.40 0.02 . 2 . . . . 16 PRO HB3 . 7214 1 
       85 . 1 1 16 16 PRO HG3  H 1 2.03 0.02 . 1 . . . . 16 PRO HG3 . 7214 1 
       86 . 1 1 16 16 PRO HD2  H 1 3.60 0.02 . 2 . . . . 16 PRO HD2 . 7214 1 
       87 . 1 1 16 16 PRO HD3  H 1 3.74 0.02 . 2 . . . . 16 PRO HD3 . 7214 1 
       88 . 1 1 17 17 PRO HA   H 1 4.43 0.02 . 1 . . . . 17 PRO HA  . 7214 1 
       89 . 1 1 17 17 PRO HB2  H 1 1.97 0.02 . 2 . . . . 17 PRO HB2 . 7214 1 
       90 . 1 1 17 17 PRO HB3  H 1 2.33 0.02 . 2 . . . . 17 PRO HB3 . 7214 1 
       91 . 1 1 17 17 PRO HG3  H 1 2.06 0.02 . 1 . . . . 17 PRO HG3 . 7214 1 
       92 . 1 1 17 17 PRO HD2  H 1 3.71 0.02 . 2 . . . . 17 PRO HD2 . 7214 1 
       93 . 1 1 17 17 PRO HD3  H 1 3.83 0.02 . 2 . . . . 17 PRO HD3 . 7214 1 
       94 . 1 1 18 18 SER H    H 1 8.58 0.02 . 1 . . . . 18 SER H   . 7214 1 
       95 . 1 1 18 18 SER HA   H 1 4.43 0.02 . 1 . . . . 18 SER HA  . 7214 1 
       96 . 1 1 18 18 SER HB2  H 1 3.86 0.02 . 2 . . . . 18 SER HB2 . 7214 1 
       97 . 1 1 18 18 SER HB3  H 1 3.92 0.02 . 2 . . . . 18 SER HB3 . 7214 1 
       98 . 1 1 19 19 SER H    H 1 8.53 0.02 . 1 . . . . 19 SER H   . 7214 1 
       99 . 1 1 19 19 SER HA   H 1 4.47 0.02 . 1 . . . . 19 SER HA  . 7214 1 
      100 . 1 1 19 19 SER HB2  H 1 3.87 0.02 . 2 . . . . 19 SER HB2 . 7214 1 
      101 . 1 1 19 19 SER HB3  H 1 3.92 0.02 . 2 . . . . 19 SER HB3 . 7214 1 
      102 . 1 1 20 20 ARG H    H 1 8.45 0.02 . 1 . . . . 20 ARG H   . 7214 1 
      103 . 1 1 20 20 ARG HA   H 1 4.31 0.02 . 1 . . . . 20 ARG HA  . 7214 1 
      104 . 1 1 20 20 ARG HB2  H 1 1.76 0.02 . 2 . . . . 20 ARG HB2 . 7214 1 
      105 . 1 1 20 20 ARG HB3  H 1 1.90 0.02 . 2 . . . . 20 ARG HB3 . 7214 1 
      106 . 1 1 20 20 ARG HG3  H 1 1.66 0.02 . 1 . . . . 20 ARG HG3 . 7214 1 
      107 . 1 1 20 20 ARG HD3  H 1 3.21 0.02 . 1 . . . . 20 ARG HD3 . 7214 1 
      108 . 1 1 20 20 ARG HE   H 1 7.25 0.02 . 1 . . . . 20 ARG HE  . 7214 1 
      109 . 1 1 21 21 GLY H    H 1 8.48 0.02 . 1 . . . . 21 GLY H   . 7214 1 
      110 . 1 1 21 21 GLY HA3  H 1 3.87 0.02 . 1 . . . . 21 GLY HA3 . 7214 1 

   stop_

save_