data_6240_sparta

save_entry_information
   _Entry.Sf_category      entry_information
   _Entry.Sf_framecode     entry_information
   _Entry.ID               6240
   _Entry.PDB_ID           1TQ1
   _Entry.NMR_STAR_version 3.0.9.100
save_

save_delta_chem_shifts_single
   _Entity_delta_chem_shifts.Sf_category      delta_chem_shifts
   _Entity_delta_chem_shifts.Sf_framecode     delta_chem_shifts_single
   _Entity_delta_chem_shifts.Conformer_type   "single"
   _Entity_delta_chem_shifts.Best_conformer   1
   _Entity_delta_chem_shifts.ID               1

   loop_
      _Delta_CS.Assigned_chem_shift_list_ID
      _Delta_CS.Atom_chem_shift_ID
      _Delta_CS.Assembly_atom_ID
      _Delta_CS.Conformer_ID
      _Delta_CS.Entity_assembly_ID
      _Delta_CS.Entity_ID
      _Delta_CS.PDB_asym_ID
      _Delta_CS.Comp_index_ID
      _Delta_CS.Seq_ID
      _Delta_CS.Comp_ID
      _Delta_CS.Atom_ID
      _Delta_CS.Atom_type
      _Delta_CS.Auth_seq_ID
      _Delta_CS.Original_CS_value
      _Delta_CS.Sparta_CS_value
      _Delta_CS.Delta_CS_value
      _Delta_CS.Entity_delta_chem_shifts_ID

   stop_

   loop_
      _SPARTA_output.Data_ID
      _SPARTA_output.Assigned_chem_shift_list_ID
      _SPARTA_output.Conformer_ID
      _SPARTA_output.Entity_ID
      _SPARTA_output.Data_type
      _SPARTA_output.Data_atom
      _SPARTA_output.Data_num_shifts
      _SPARTA_output.Data_value
      _SPARTA_output.Entity_delta_chem_shifts_ID
        1    1     1     1  "RMS(OBS, PRED)"     C     0      0.000  1
        2    1     1     1  "RMS(OBS, PRED)"    CA     0      0.000  1
        3    1     1     1  "RMS(OBS, PRED)"    CB     0      0.000  1
        4    1     1     1  "RMS(OBS, PRED)"     H     0      0.000  1
        5    1     1     1  "RMS(OBS, PRED)"    HA     0      0.000  1
        6    1     1     1  "RMS(OBS, PRED)"     N     0      0.000  1
        7    1     2     1  "RMS(OBS, PRED)"     C     0      0.000  1
        8    1     2     1  "RMS(OBS, PRED)"    CA     0      0.000  1
        9    1     2     1  "RMS(OBS, PRED)"    CB     0      0.000  1
       10    1     2     1  "RMS(OBS, PRED)"     H     0      0.000  1
       11    1     2     1  "RMS(OBS, PRED)"    HA     0      0.000  1
       12    1     2     1  "RMS(OBS, PRED)"     N     0      0.000  1
       13    1     3     1  "RMS(OBS, PRED)"     C     0      0.000  1
       14    1     3     1  "RMS(OBS, PRED)"    CA     0      0.000  1
       15    1     3     1  "RMS(OBS, PRED)"    CB     0      0.000  1
       16    1     3     1  "RMS(OBS, PRED)"     H     0      0.000  1
       17    1     3     1  "RMS(OBS, PRED)"    HA     0      0.000  1
       18    1     3     1  "RMS(OBS, PRED)"     N     0      0.000  1
       19    1     4     1  "RMS(OBS, PRED)"     C     0      0.000  1
       20    1     4     1  "RMS(OBS, PRED)"    CA     0      0.000  1
       21    1     4     1  "RMS(OBS, PRED)"    CB     0      0.000  1
       22    1     4     1  "RMS(OBS, PRED)"     H     0      0.000  1
       23    1     4     1  "RMS(OBS, PRED)"    HA     0      0.000  1
       24    1     4     1  "RMS(OBS, PRED)"     N     0      0.000  1
       25    1     5     1  "RMS(OBS, PRED)"     C     0      0.000  1
       26    1     5     1  "RMS(OBS, PRED)"    CA     0      0.000  1
       27    1     5     1  "RMS(OBS, PRED)"    CB     0      0.000  1
       28    1     5     1  "RMS(OBS, PRED)"     H     0      0.000  1
       29    1     5     1  "RMS(OBS, PRED)"    HA     0      0.000  1
       30    1     5     1  "RMS(OBS, PRED)"     N     0      0.000  1
   stop_
save_

save_delta_chem_shifts_average
   _Entity_delta_chem_shifts.Sf_category      delta_chem_shifts
   _Entity_delta_chem_shifts.Sf_framecode     delta_chem_shifts_average
   _Entity_delta_chem_shifts.Conformer_type   "average"
   _Entity_delta_chem_shifts.ID               2
   _Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;

   loop_
      _Delta_CS.Assigned_chem_shift_list_ID
      _Delta_CS.Atom_chem_shift_ID
      _Delta_CS.Assembly_atom_ID
      _Delta_CS.Entity_assembly_ID
      _Delta_CS.Entity_ID
      _Delta_CS.PDB_asym_ID
      _Delta_CS.Comp_index_ID
      _Delta_CS.Seq_ID
      _Delta_CS.Comp_ID
      _Delta_CS.Atom_ID
      _Delta_CS.Atom_type
      _Delta_CS.Auth_seq_ID
      _Delta_CS.Original_CS_value
      _Delta_CS.Sparta_CS_value
      _Delta_CS.Delta_CS_value
      _Delta_CS.Entity_delta_chem_shifts_ID

   stop_
save_