data_16469_sparta

save_entry_information
   _Entry.Sf_category                            entry_information
   _Entry.NMR_STAR_version                       3.0.9.13
save_

save_delta_chem_shifts
   _Entity_delta_chem_shifts.Sf_category         delta_chem_shifts
   _Entity_delta_chem_shifts.Sf_framecode        delta_chem_shifts

   loop_
      _Delta_CS.Atom_chem_shift_ID
      _Delta_CS.Conformer_ID
      _Delta_CS.Assembly_atom_ID
      _Delta_CS.Entity_assembly_ID
      _Delta_CS.Entity_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

   stop_

   loop_
      _SPARTA_ouput.Data_ID
      _SPARTA_ouput.Conformer_ID
      _SPARTA_ouput.Data_type
      _SPARTA_ouput.Data_atom
      _SPARTA_ouput.Data_num_shifts
      _SPARTA_ouput.Data_value

   stop_

save_


save_delta_chem_shifts_average
   _Entity_delta_chem_shifts.Sf_category         delta_chem_shifts_average
   _Entity_delta_chem_shifts.Sf_framecode        delta_chem_shifts_average
   _Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;

   loop_
      _Delta_CS.Atom_chem_shift_ID
      _Delta_CS.Assembly_atom_ID
      _Delta_CS.Entity_assembly_ID
      _Delta_CS.Entity_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

   stop_

save_