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                      20014
   _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   $DSS
   _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'    . . . 20014 1 
      2  NOESY           . . . 20014 1 
      3 '2D 1H-1H TOCSY' . . . 20014 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 H    H 1 8.509 0.002 . . . . . .  1 G H    . 20014 1 
        2 . 1 1  1  1 GLY HA2  H 1 4.485 0.004 . . . . . .  1 G HA1  . 20014 1 
        3 . 1 1  1  1 GLY HA3  H 1 3.816 0.002 . . . . . .  1 G HA2  . 20014 1 
        4 . 1 1  2  2 THR H    H 1 7.757 0.002 . . . . . .  2 T H    . 20014 1 
        5 . 1 1  2  2 THR HA   H 1 4.753 0.004 . . . . . .  2 T HA   . 20014 1 
        6 . 1 1  2  2 THR HB   H 1 4.060 0.005 . . . . . .  2 T HB   . 20014 1 
        7 . 1 1  2  2 THR HG21 H 1 1.190 0.002 . . . . . .  2 T QG2  . 20014 1 
        8 . 1 1  2  2 THR HG22 H 1 1.190 0.002 . . . . . .  2 T QG2  . 20014 1 
        9 . 1 1  2  2 THR HG23 H 1 1.190 0.002 . . . . . .  2 T QG2  . 20014 1 
       10 . 1 1  3  3 PRO HA   H 1 4.270 0.004 . . . . . .  3 P HA   . 20014 1 
       11 . 1 1  3  3 PRO HB2  H 1 2.276 0.004 . . . . . .  3 P HB1  . 20014 1 
       12 . 1 1  3  3 PRO HB3  H 1 1.882 0.008 . . . . . .  3 P HB2  . 20014 1 
       13 . 1 1  3  3 PRO HD2  H 1 3.925 0.004 . . . . . .  3 P HD1  . 20014 1 
       14 . 1 1  3  3 PRO HD3  H 1 3.699 0.001 . . . . . .  3 P HD2  . 20014 1 
       15 . 1 1  3  3 PRO HG2  H 1 2.149 0.005 . . . . . .  3 P HG1  . 20014 1 
       16 . 1 1  3  3 PRO HG3  H 1 1.906 0.005 . . . . . .  3 P HG2  . 20014 1 
       17 . 1 1  4  4 GLY H    H 1 8.035 0.001 . . . . . .  4 G H    . 20014 1 
       18 . 1 1  4  4 GLY HA2  H 1 3.471 0.001 . . . . . .  4 G HA1  . 20014 1 
       19 . 1 1  4  4 GLY HA3  H 1 3.662 0.001 . . . . . .  4 G HA2  . 20014 1 
       20 . 1 1  5  5 PHE H    H 1 8.721 0.001 . . . . . .  5 F H    . 20014 1 
       21 . 1 1  5  5 PHE HA   H 1 4.833 0.001 . . . . . .  5 F HA   . 20014 1 
       22 . 1 1  5  5 PHE HB2  H 1 2.741 0.001 . . . . . .  5 F HB1  . 20014 1 
       23 . 1 1  5  5 PHE HB3  H 1 3.401 0.015 . . . . . .  5 F HB2  . 20014 1 
       24 . 1 1  6  6 GLN H    H 1 8.049 0.006 . . . . . .  6 Q H    . 20014 1 
       25 . 1 1  6  6 GLN HA   H 1 4.484 0.004 . . . . . .  6 Q HA   . 20014 1 
       26 . 1 1  6  6 GLN HB2  H 1 1.780 0.005 . . . . . .  6 Q HB1  . 20014 1 
       27 . 1 1  6  6 GLN HB3  H 1 2.085 0.016 . . . . . .  6 Q HB2  . 20014 1 
       28 . 1 1  6  6 GLN HE21 H 1 7.816 0.003 . . . . . .  6 Q HE   . 20014 1 
       29 . 1 1  6  6 GLN HE22 H 1 7.816 0.003 . . . . . .  6 Q HE   . 20014 1 
       30 . 1 1  6  6 GLN HG2  H 1 2.293 0.004 . . . . . .  6 Q QG   . 20014 1 
       31 . 1 1  6  6 GLN HG3  H 1 2.293 0.004 . . . . . .  6 Q QG   . 20014 1 
       32 . 1 1  7  7 THR H    H 1 7.828 0.005 . . . . . .  7 T H    . 20014 1 
       33 . 1 1  7  7 THR HA   H 1 4.938 0.002 . . . . . .  7 T HA   . 20014 1 
       34 . 1 1  7  7 THR HB   H 1 3.999 0.006 . . . . . .  7 T HB   . 20014 1 
       35 . 1 1  7  7 THR HG21 H 1 1.012 0.003 . . . . . .  7 T QG2  . 20014 1 
       36 . 1 1  7  7 THR HG22 H 1 1.012 0.003 . . . . . .  7 T QG2  . 20014 1 
       37 . 1 1  7  7 THR HG23 H 1 1.012 0.003 . . . . . .  7 T QG2  . 20014 1 
       38 . 1 1  8  8 PRO HA   H 1 4.735 0.001 . . . . . .  8 P HA   . 20014 1 
       39 . 1 1  8  8 PRO HB2  H 1 2.260 0.003 . . . . . .  8 P HB1  . 20014 1 
       40 . 1 1  8  8 PRO HB3  H 1 1.950 0.004 . . . . . .  8 P HB2  . 20014 1 
       41 . 1 1  8  8 PRO HD2  H 1 3.904 0.005 . . . . . .  8 P HD1  . 20014 1 
       42 . 1 1  8  8 PRO HD3  H 1 3.801 0.004 . . . . . .  8 P HD2  . 20014 1 
       43 . 1 1  8  8 PRO HG2  H 1 2.108 0.001 . . . . . .  8 P HG1  . 20014 1 
       44 . 1 1  8  8 PRO HG3  H 1 1.870 0.005 . . . . . .  8 P HG2  . 20014 1 
       45 . 1 1  9  9 ASP H    H 1 8.596 0.002 . . . . . .  9 D H    . 20014 1 
       46 . 1 1  9  9 ASP HA   H 1 4.862 0.001 . . . . . .  9 D HA   . 20014 1 
       47 . 1 1  9  9 ASP HB2  H 1 3.044 0.017 . . . . . .  9 D HB1  . 20014 1 
       48 . 1 1  9  9 ASP HB3  H 1 3.498 0.011 . . . . . .  9 D HB2  . 20014 1 
       49 . 1 1 10 10 ALA H    H 1 8.253 0.002 . . . . . . 10 A H    . 20014 1 
       50 . 1 1 10 10 ALA HA   H 1 4.114 0.008 . . . . . . 10 A HA   . 20014 1 
       51 . 1 1 10 10 ALA HB1  H 1 1.419 0.003 . . . . . . 10 A QB   . 20014 1 
       52 . 1 1 10 10 ALA HB2  H 1 1.419 0.003 . . . . . . 10 A QB   . 20014 1 
       53 . 1 1 10 10 ALA HB3  H 1 1.419 0.003 . . . . . . 10 A QB   . 20014 1 
       54 . 1 1 11 11 ARG H    H 1 8.032 0.005 . . . . . . 11 R H    . 20014 1 
       55 . 1 1 11 11 ARG HA   H 1 4.629 0.001 . . . . . . 11 R HA   . 20014 1 
       56 . 1 1 11 11 ARG HB2  H 1 1.765 0.004 . . . . . . 11 R HB1  . 20014 1 
       57 . 1 1 11 11 ARG HB3  H 1 1.952 0.004 . . . . . . 11 R HB2  . 20014 1 
       58 . 1 1 11 11 ARG HD2  H 1 3.246 0.002 . . . . . . 11 R QD   . 20014 1 
       59 . 1 1 11 11 ARG HD3  H 1 3.246 0.002 . . . . . . 11 R QD   . 20014 1 
       60 . 1 1 11 11 ARG HE   H 1 7.372 0.005 . . . . . . 11 R HE   . 20014 1 
       61 . 1 1 11 11 ARG HG2  H 1 1.620 0.008 . . . . . . 11 R QG   . 20014 1 
       62 . 1 1 11 11 ARG HG3  H 1 1.620 0.008 . . . . . . 11 R QG   . 20014 1 
       63 . 1 1 12 12 VAL H    H 1 8.263 0.002 . . . . . . 12 V H    . 20014 1 
       64 . 1 1 12 12 VAL HA   H 1 4.742 0.003 . . . . . . 12 V HA   . 20014 1 
       65 . 1 1 12 12 VAL HB   H 1 2.192 0.012 . . . . . . 12 V HB   . 20014 1 
       66 . 1 1 12 12 VAL HG11 H 1 0.831 0.003 . . . . . . 12 V QG1  . 20014 1 
       67 . 1 1 12 12 VAL HG12 H 1 0.831 0.003 . . . . . . 12 V QG1  . 20014 1 
       68 . 1 1 12 12 VAL HG13 H 1 0.831 0.003 . . . . . . 12 V QG1  . 20014 1 
       69 . 1 1 12 12 VAL HG21 H 1 0.520 0.001 . . . . . . 12 V QG2  . 20014 1 
       70 . 1 1 12 12 VAL HG22 H 1 0.520 0.001 . . . . . . 12 V QG2  . 20014 1 
       71 . 1 1 12 12 VAL HG23 H 1 0.520 0.001 . . . . . . 12 V QG2  . 20014 1 
       72 . 1 1 13 13 ILE H    H 1 8.375 0.001 . . . . . . 13 I H    . 20014 1 
       73 . 1 1 13 13 ILE HA   H 1 3.469 0.003 . . . . . . 13 I HA   . 20014 1 
       74 . 1 1 13 13 ILE HB   H 1 1.782 0.003 . . . . . . 13 I HB   . 20014 1 
       75 . 1 1 13 13 ILE HD11 H 1 0.760 0.012 . . . . . . 13 I QD1  . 20014 1 
       76 . 1 1 13 13 ILE HD12 H 1 0.760 0.012 . . . . . . 13 I QD1  . 20014 1 
       77 . 1 1 13 13 ILE HD13 H 1 0.760 0.012 . . . . . . 13 I QD1  . 20014 1 
       78 . 1 1 13 13 ILE HG12 H 1 1.469 0.004 . . . . . . 13 I HG11 . 20014 1 
       79 . 1 1 13 13 ILE HG13 H 1 1.202 0.001 . . . . . . 13 I HG12 . 20014 1 
       80 . 1 1 13 13 ILE HG21 H 1 0.737 0.004 . . . . . . 13 I QG2  . 20014 1 
       81 . 1 1 13 13 ILE HG22 H 1 0.737 0.004 . . . . . . 13 I QG2  . 20014 1 
       82 . 1 1 13 13 ILE HG23 H 1 0.737 0.004 . . . . . . 13 I QG2  . 20014 1 
       83 . 1 1 14 14 SER H    H 1 8.011 0.011 . . . . . . 14 S H    . 20014 1 
       84 . 1 1 14 14 SER HA   H 1 5.215 0.001 . . . . . . 14 S HA   . 20014 1 
       85 . 1 1 14 14 SER HB2  H 1 3.845 0.003 . . . . . . 14 S HB1  . 20014 1 
       86 . 1 1 14 14 SER HB3  H 1 3.752 0.002 . . . . . . 14 S HB2  . 20014 1 
       87 . 1 1 15 15 ARG H    H 1 8.170 0.005 . . . . . . 15 R H    . 20014 1 
       88 . 1 1 15 15 ARG HA   H 1 4.699 0.001 . . . . . . 15 R HA   . 20014 1 
       89 . 1 1 15 15 ARG HB2  H 1 1.713 0.002 . . . . . . 15 R QB   . 20014 1 
       90 . 1 1 15 15 ARG HB3  H 1 1.713 0.002 . . . . . . 15 R QB   . 20014 1 
       91 . 1 1 15 15 ARG HD2  H 1 3.060 0.008 . . . . . . 15 R QD   . 20014 1 
       92 . 1 1 15 15 ARG HD3  H 1 3.060 0.008 . . . . . . 15 R QD   . 20014 1 
       93 . 1 1 15 15 ARG HE   H 1 7.088 0.001 . . . . . . 15 R HE   . 20014 1 
       94 . 1 1 15 15 ARG HG2  H 1 1.395 0.004 . . . . . . 15 R QG   . 20014 1 
       95 . 1 1 15 15 ARG HG3  H 1 1.395 0.004 . . . . . . 15 R QG   . 20014 1 
       96 . 1 1 16 16 PHE H    H 1 8.286 0.002 . . . . . . 16 F H    . 20014 1 
       97 . 1 1 16 16 PHE HA   H 1 4.629 0.005 . . . . . . 16 F HA   . 20014 1 
       98 . 1 1 16 16 PHE HB2  H 1 3.095 0.012 . . . . . . 16 F HB1  . 20014 1 
       99 . 1 1 16 16 PHE HB3  H 1 2.852 0.002 . . . . . . 16 F HB2  . 20014 1 
      100 . 1 1 17 17 GLY H    H 1 8.523 0.002 . . . . . . 17 G H    . 20014 1 
      101 . 1 1 17 17 GLY HA2  H 1 3.730 0.001 . . . . . . 17 G HA1  . 20014 1 
      102 . 1 1 17 17 GLY HA3  H 1 3.883 0.001 . . . . . . 17 G HA2  . 20014 1 
      103 . 1 1 18 18 PHE H    H 1 8.131 0.002 . . . . . . 18 F H    . 20014 1 
      104 . 1 1 18 18 PHE HA   H 1 4.629 0.001 . . . . . . 18 F HA   . 20014 1 
      105 . 1 1 18 18 PHE HB2  H 1 3.213 0.001 . . . . . . 18 F HB1  . 20014 1 
      106 . 1 1 18 18 PHE HB3  H 1 3.013 0.011 . . . . . . 18 F HB2  . 20014 1 
      107 . 1 1 19 19 ASN H    H 1 8.479 0.004 . . . . . . 19 N H    . 20014 1 
      108 . 1 1 19 19 ASN HA   H 1 4.695 0.005 . . . . . . 19 N HA   . 20014 1 
      109 . 1 1 19 19 ASN HB2  H 1 2.779 0.005 . . . . . . 19 N HB1  . 20014 1 
      110 . 1 1 19 19 ASN HB3  H 1 2.845 0.005 . . . . . . 19 N HB2  . 20014 1 

   stop_

save_