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                      18964
   _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 TOCSY' . . . 18964 1 
      2 '2D 1H-1H NOESY' . . . 18964 1 
      3 '2D DQF-COSY'    . . . 18964 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 3.979 0.000 . 1 . . . A  1 GLY HA2  . 18964 1 
       2 . 1 1  1  1 GLY HA3  H 1 3.979 0.000 . 1 . . . A  1 GLY HA3  . 18964 1 
       3 . 1 1  2  2 CYS H    H 1 9.010 0.000 . 1 . . . A  2 CYS H    . 18964 1 
       4 . 1 1  2  2 CYS HA   H 1 4.661 0.000 . 1 . . . A  2 CYS HA   . 18964 1 
       5 . 1 1  2  2 CYS HB2  H 1 2.904 0.000 . 1 . . . A  2 CYS HB2  . 18964 1 
       6 . 1 1  2  2 CYS HB3  H 1 3.334 0.000 . 1 . . . A  2 CYS HB3  . 18964 1 
       7 . 1 1  3  3 CYS H    H 1 8.555 0.000 . 1 . . . A  3 CYS H    . 18964 1 
       8 . 1 1  3  3 CYS HA   H 1 4.605 0.000 . 1 . . . A  3 CYS HA   . 18964 1 
       9 . 1 1  3  3 CYS HB2  H 1 2.887 0.000 . 1 . . . A  3 CYS HB2  . 18964 1 
      10 . 1 1  3  3 CYS HB3  H 1 3.493 0.000 . 1 . . . A  3 CYS HB3  . 18964 1 
      11 . 1 1  4  4 SER H    H 1 7.895 0.000 . 1 . . . A  4 SER H    . 18964 1 
      12 . 1 1  4  4 SER HA   H 1 4.506 0.001 . 1 . . . A  4 SER HA   . 18964 1 
      13 . 1 1  4  4 SER HB2  H 1 3.933 0.001 . 1 . . . A  4 SER HB2  . 18964 1 
      14 . 1 1  4  4 SER HB3  H 1 3.933 0.001 . 1 . . . A  4 SER HB3  . 18964 1 
      15 . 1 1  5  5 HIS H    H 1 8.208 0.001 . 1 . . . A  5 HIS H    . 18964 1 
      16 . 1 1  5  5 HIS HA   H 1 5.180 0.000 . 1 . . . A  5 HIS HA   . 18964 1 
      17 . 1 1  5  5 HIS HB2  H 1 3.456 0.000 . 1 . . . A  5 HIS HB2  . 18964 1 
      18 . 1 1  5  5 HIS HB3  H 1 3.335 0.000 . 1 . . . A  5 HIS HB3  . 18964 1 
      19 . 1 1  5  5 HIS HD2  H 1 7.415 0.000 . 1 . . . A  5 HIS HD2  . 18964 1 
      20 . 1 1  6  6 PRO HA   H 1 4.353 0.000 . 1 . . . A  6 PRO HA   . 18964 1 
      21 . 1 1  6  6 PRO HB2  H 1 2.420 0.000 . 1 . . . A  6 PRO HB2  . 18964 1 
      22 . 1 1  6  6 PRO HB3  H 1 2.005 0.000 . 1 . . . A  6 PRO HB3  . 18964 1 
      23 . 1 1  6  6 PRO HG2  H 1 2.099 0.000 . 1 . . . A  6 PRO HG2  . 18964 1 
      24 . 1 1  6  6 PRO HG3  H 1 2.099 0.000 . 1 . . . A  6 PRO HG3  . 18964 1 
      25 . 1 1  6  6 PRO HD2  H 1 3.693 0.000 . 1 . . . A  6 PRO HD2  . 18964 1 
      26 . 1 1  6  6 PRO HD3  H 1 3.934 0.000 . 1 . . . A  6 PRO HD3  . 18964 1 
      27 . 1 1  7  7 VAL H    H 1 7.801 0.000 . 1 . . . A  7 VAL H    . 18964 1 
      28 . 1 1  7  7 VAL HA   H 1 3.967 0.000 . 1 . . . A  7 VAL HA   . 18964 1 
      29 . 1 1  7  7 VAL HB   H 1 2.132 0.000 . 1 . . . A  7 VAL HB   . 18964 1 
      30 . 1 1  7  7 VAL HG11 H 1 0.956 0.000 . 1 . . . A  7 VAL HG11 . 18964 1 
      31 . 1 1  7  7 VAL HG12 H 1 0.956 0.000 . 1 . . . A  7 VAL HG12 . 18964 1 
      32 . 1 1  7  7 VAL HG13 H 1 0.956 0.000 . 1 . . . A  7 VAL HG13 . 18964 1 
      33 . 1 1  7  7 VAL HG21 H 1 1.018 0.000 . 1 . . . A  7 VAL HG21 . 18964 1 
      34 . 1 1  7  7 VAL HG22 H 1 1.018 0.000 . 1 . . . A  7 VAL HG22 . 18964 1 
      35 . 1 1  7  7 VAL HG23 H 1 1.018 0.000 . 1 . . . A  7 VAL HG23 . 18964 1 
      36 . 1 1  8  8 CYS H    H 1 8.039 0.001 . 1 . . . A  8 CYS H    . 18964 1 
      37 . 1 1  8  8 CYS HA   H 1 4.297 0.000 . 1 . . . A  8 CYS HA   . 18964 1 
      38 . 1 1  8  8 CYS HB2  H 1 3.966 0.000 . 1 . . . A  8 CYS HB2  . 18964 1 
      39 . 1 1  8  8 CYS HB3  H 1 3.765 0.001 . 1 . . . A  8 CYS HB3  . 18964 1 
      40 . 1 1  9  9 SER H    H 1 8.554 0.001 . 1 . . . A  9 SER H    . 18964 1 
      41 . 1 1  9  9 SER HA   H 1 4.371 0.000 . 1 . . . A  9 SER HA   . 18964 1 
      42 . 1 1  9  9 SER HB2  H 1 4.042 0.002 . 1 . . . A  9 SER HB2  . 18964 1 
      43 . 1 1  9  9 SER HB3  H 1 4.042 0.002 . 1 . . . A  9 SER HB3  . 18964 1 
      44 . 1 1 10 10 ALA H    H 1 7.636 0.000 . 1 . . . A 10 ALA H    . 18964 1 
      45 . 1 1 10 10 ALA HA   H 1 4.261 0.000 . 1 . . . A 10 ALA HA   . 18964 1 
      46 . 1 1 10 10 ALA HB1  H 1 1.519 0.001 . 1 . . . A 10 ALA HB1  . 18964 1 
      47 . 1 1 10 10 ALA HB2  H 1 1.519 0.001 . 1 . . . A 10 ALA HB2  . 18964 1 
      48 . 1 1 10 10 ALA HB3  H 1 1.519 0.001 . 1 . . . A 10 ALA HB3  . 18964 1 
      49 . 1 1 11 11 MET H    H 1 7.628 0.000 . 1 . . . A 11 MET H    . 18964 1 
      50 . 1 1 11 11 MET HA   H 1 4.597 0.000 . 1 . . . A 11 MET HA   . 18964 1 
      51 . 1 1 11 11 MET HB2  H 1 2.234 0.000 . 1 . . . A 11 MET HB2  . 18964 1 
      52 . 1 1 11 11 MET HB3  H 1 2.125 0.000 . 1 . . . A 11 MET HB3  . 18964 1 
      53 . 1 1 11 11 MET HG2  H 1 2.611 0.000 . 1 . . . A 11 MET HG2  . 18964 1 
      54 . 1 1 11 11 MET HG3  H 1 2.710 0.000 . 1 . . . A 11 MET HG3  . 18964 1 
      55 . 1 1 12 12 SER H    H 1 7.577 0.000 . 1 . . . A 12 SER H    . 18964 1 
      56 . 1 1 12 12 SER HA   H 1 5.066 0.000 . 1 . . . A 12 SER HA   . 18964 1 
      57 . 1 1 12 12 SER HB2  H 1 3.881 0.000 . 1 . . . A 12 SER HB2  . 18964 1 
      58 . 1 1 12 12 SER HB3  H 1 4.004 0.000 . 1 . . . A 12 SER HB3  . 18964 1 
      59 . 1 1 13 13 PRO HA   H 1 4.495 0.000 . 1 . . . A 13 PRO HA   . 18964 1 
      60 . 1 1 13 13 PRO HB2  H 1 2.419 0.000 . 1 . . . A 13 PRO HB2  . 18964 1 
      61 . 1 1 13 13 PRO HB3  H 1 2.419 0.000 . 1 . . . A 13 PRO HB3  . 18964 1 
      62 . 1 1 13 13 PRO HG2  H 1 2.011 0.000 . 1 . . . A 13 PRO HG2  . 18964 1 
      63 . 1 1 13 13 PRO HG3  H 1 2.078 0.000 . 1 . . . A 13 PRO HG3  . 18964 1 
      64 . 1 1 13 13 PRO HD2  H 1 3.960 0.000 . 1 . . . A 13 PRO HD2  . 18964 1 
      65 . 1 1 13 13 PRO HD3  H 1 3.960 0.000 . 1 . . . A 13 PRO HD3  . 18964 1 
      66 . 1 1 14 14 ILE H    H 1 7.420 0.001 . 1 . . . A 14 ILE H    . 18964 1 
      67 . 1 1 14 14 ILE HA   H 1 4.186 0.000 . 1 . . . A 14 ILE HA   . 18964 1 
      68 . 1 1 14 14 ILE HB   H 1 1.971 0.000 . 1 . . . A 14 ILE HB   . 18964 1 
      69 . 1 1 14 14 ILE HG12 H 1 1.473 0.000 . 1 . . . A 14 ILE HG12 . 18964 1 
      70 . 1 1 14 14 ILE HG13 H 1 1.253 0.000 . 1 . . . A 14 ILE HG13 . 18964 1 
      71 . 1 1 14 14 ILE HG21 H 1 0.951 0.000 . 1 . . . A 14 ILE HG21 . 18964 1 
      72 . 1 1 14 14 ILE HG22 H 1 0.951 0.000 . 1 . . . A 14 ILE HG22 . 18964 1 
      73 . 1 1 14 14 ILE HG23 H 1 0.951 0.000 . 1 . . . A 14 ILE HG23 . 18964 1 
      74 . 1 1 15 15 CYS H    H 1 7.782 0.000 . 1 . . . A 15 CYS H    . 18964 1 
      75 . 1 1 15 15 CYS HA   H 1 4.754 0.001 . 1 . . . A 15 CYS HA   . 18964 1 
      76 . 1 1 15 15 CYS HB2  H 1 3.405 0.001 . 1 . . . A 15 CYS HB2  . 18964 1 
      77 . 1 1 15 15 CYS HB3  H 1 3.144 0.000 . 1 . . . A 15 CYS HB3  . 18964 1 

   stop_

save_