Content for NMR-STAR saveframe, "chemical_shift_assignment_data_set_one"

    save_chemical_shift_assignment_data_set_one
   _Assigned_chem_shift_list.Sf_category                   assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                 'chemical_shift_assignment_data_set_one'
   _Assigned_chem_shift_list.Entry_ID                      2573
   _Assigned_chem_shift_list.ID                            1
   _Assigned_chem_shift_list.Sample_condition_list_ID      1
   _Assigned_chem_shift_list.Sample_condition_list_label  $sample_condition_set_one
   _Assigned_chem_shift_list.Chem_shift_reference_ID       1
   _Assigned_chem_shift_list.Chem_shift_reference_label   $chem_shift_reference_par_set_one
   _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_one . 2573 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  2  2 GLN N N 15 126.9 . . 1 . . . . . . . . 2573 1 
       2 . 1 1  3  3 ILE N N 15 119.3 . . 1 . . . . . . . . 2573 1 
       3 . 1 1  4  4 PHE N N 15 122.4 . . 1 . . . . . . . . 2573 1 
       4 . 1 1  5  5 VAL N N 15 125.1 . . 1 . . . . . . . . 2573 1 
       5 . 1 1  6  6 LYS N N 15 131.7 . . 1 . . . . . . . . 2573 1 
       6 . 1 1  7  7 THR N N 15 119.5 . . 1 . . . . . . . . 2573 1 
       7 . 1 1  8  8 LEU N N 15 125.3 . . 1 . . . . . . . . 2573 1 
       8 . 1 1  9  9 THR N N 15 109.8 . . 1 . . . . . . . . 2573 1 
       9 . 1 1 10 10 GLY N N 15 113.1 . . 1 . . . . . . . . 2573 1 
      10 . 1 1 11 11 LYS N N 15 112.5 . . 1 . . . . . . . . 2573 1 
      11 . 1 1 12 12 THR N N 15 124.5 . . 1 . . . . . . . . 2573 1 
      12 . 1 1 13 13 ILE N N 15 131.6 . . 1 . . . . . . . . 2573 1 
      13 . 1 1 14 14 THR N N 15 125.8 . . 1 . . . . . . . . 2573 1 
      14 . 1 1 15 15 LEU N N 15 129.1 . . 1 . . . . . . . . 2573 1 
      15 . 1 1 16 16 GLU N N 15 126.4 . . 1 . . . . . . . . 2573 1 
      16 . 1 1 17 17 VAL N N 15 121.5 . . 1 . . . . . . . . 2573 1 
      17 . 1 1 18 18 GLU N N 15 122.7 . . 1 . . . . . . . . 2573 1 
      18 . 1 1 20 20 SER N N 15 125.8 . . 1 . . . . . . . . 2573 1 
      19 . 1 1 21 21 ASP N N 15 127.3 . . 1 . . . . . . . . 2573 1 
      20 . 1 1 22 22 THR N N 15 112.2 . . 1 . . . . . . . . 2573 1 
      21 . 1 1 23 23 ILE N N 15 125.1 . . 1 . . . . . . . . 2573 1 
      22 . 1 1 25 25 ASN N N 15 123.5 . . 1 . . . . . . . . 2573 1 
      23 . 1 1 26 26 VAL N N 15 125.9 . . 1 . . . . . . . . 2573 1 
      24 . 1 1 27 27 LYS N N 15 122.6 . . 1 . . . . . . . . 2573 1 
      25 . 1 1 28 28 ALA N N 15 127   . . 1 . . . . . . . . 2573 1 
      26 . 1 1 29 29 LYS N N 15 121.4 . . 1 . . . . . . . . 2573 1 
      27 . 1 1 30 30 ILE N N 15 125.1 . . 1 . . . . . . . . 2573 1 
      28 . 1 1 31 31 GLN N N 15 127.6 . . 1 . . . . . . . . 2573 1 
      29 . 1 1 32 32 ASP N N 15 123.8 . . 1 . . . . . . . . 2573 1 
      30 . 1 1 33 33 LYS N N 15 119.6 . . 1 . . . . . . . . 2573 1 
      31 . 1 1 34 34 GLU N N 15 118.2 . . 1 . . . . . . . . 2573 1 
      32 . 1 1 35 35 GLY N N 15 112.8 . . 1 . . . . . . . . 2573 1 
      33 . 1 1 36 36 ILE N N 15 124.2 . . 1 . . . . . . . . 2573 1 
      34 . 1 1 39 39 ASP N N 15 117.4 . . 1 . . . . . . . . 2573 1 
      35 . 1 1 40 40 LEU N N 15 120.9 . . 1 . . . . . . . . 2573 1 
      36 . 1 1 41 41 GLN N N 15 121.1 . . 1 . . . . . . . . 2573 1 
      37 . 1 1 42 42 ARG N N 15 127   . . 1 . . . . . . . . 2573 1 
      38 . 1 1 43 43 LEU N N 15 128.3 . . 1 . . . . . . . . 2573 1 
      39 . 1 1 44 44 ILE N N 15 126   . . 1 . . . . . . . . 2573 1 
      40 . 1 1 45 45 PHE N N 15 129.4 . . 1 . . . . . . . . 2573 1 
      41 . 1 1 46 46 ALA N N 15 136.8 . . 1 . . . . . . . . 2573 1 
      42 . 1 1 47 47 GLY N N 15 106.5 . . 1 . . . . . . . . 2573 1 
      43 . 1 1 48 48 LYS N N 15 125.9 . . 1 . . . . . . . . 2573 1 
      44 . 1 1 49 49 GLN N N 15 126.7 . . 1 . . . . . . . . 2573 1 
      45 . 1 1 50 50 LEU N N 15 129.8 . . 1 . . . . . . . . 2573 1 
      46 . 1 1 51 51 GLU N N 15 127   . . 1 . . . . . . . . 2573 1 
      47 . 1 1 52 52 ASP N N 15 123.9 . . 1 . . . . . . . . 2573 1 
      48 . 1 1 54 54 ARG N N 15 123   . . 1 . . . . . . . . 2573 1 
      49 . 1 1 55 55 THR N N 15 112.9 . . 1 . . . . . . . . 2573 1 
      50 . 1 1 56 56 LEU N N 15 122.1 . . 1 . . . . . . . . 2573 1 
      51 . 1 1 57 57 SER N N 15 117.1 . . 1 . . . . . . . . 2573 1 
      52 . 1 1 58 58 ASP N N 15 128   . . 1 . . . . . . . . 2573 1 
      53 . 1 1 59 59 TYR N N 15 119.6 . . 1 . . . . . . . . 2573 1 
      54 . 1 1 60 60 ASN N N 15 120.2 . . 1 . . . . . . . . 2573 1 
      55 . 1 1 61 61 ILE N N 15 122.6 . . 1 . . . . . . . . 2573 1 
      56 . 1 1 62 62 GLN N N 15 129.1 . . 1 . . . . . . . . 2573 1 
      57 . 1 1 63 63 LYS N N 15 124.5 . . 1 . . . . . . . . 2573 1 
      58 . 1 1 64 64 GLY N N 15 118.3 . . 1 . . . . . . . . 2573 1 
      59 . 1 1 65 65 SER N N 15 118.9 . . 1 . . . . . . . . 2573 1 
      60 . 1 1 66 66 THR N N 15 121.3 . . 1 . . . . . . . . 2573 1 
      61 . 1 1 67 67 LEU N N 15 131.5 . . 1 . . . . . . . . 2573 1 
      62 . 1 1 68 68 HIS N N 15 123.6 . . 1 . . . . . . . . 2573 1 
      63 . 1 1 69 69 LEU N N 15 128.3 . . 1 . . . . . . . . 2573 1 
      64 . 1 1 70 70 VAL N N 15 130.8 . . 1 . . . . . . . . 2573 1 
      65 . 1 1 71 71 LEU N N 15 127   . . 1 . . . . . . . . 2573 1 
      66 . 1 1 72 72 ARG N N 15 127.7 . . 1 . . . . . . . . 2573 1 
      67 . 1 1 73 73 LEU N N 15 128.5 . . 1 . . . . . . . . 2573 1 
      68 . 1 1 74 74 ARG N N 15 125.9 . . 1 . . . . . . . . 2573 1 
      69 . 1 1 75 75 GLY N N 15 115   . . 1 . . . . . . . . 2573 1 
      70 . 1 1 76 76 GLY N N 15 118.9 . . 1 . . . . . . . . 2573 1 

   stop_

save_