Content for NMR-STAR saveframe, "ensemble_coordinates"

    save_ensemble_coordinates
   _Conformer_family_coord_set.Sf_category                   conformer_family_coord_set
   _Conformer_family_coord_set.Sf_framecode                  ensemble_coordinates
   _Conformer_family_coord_set.Entry_ID                      20080
   _Conformer_family_coord_set.ID                            1
   _Conformer_family_coord_set.File_name                     .
   _Conformer_family_coord_set.Constraints_PDB_file_ID       .
   _Conformer_family_coord_set.PDB_accession_code            .
   _Conformer_family_coord_set.Sample_condition_list_ID      1
   _Conformer_family_coord_set.Sample_condition_list_label  $sample_conditions_1
   _Conformer_family_coord_set.Atom_site_uncertainty_desc    .
   _Conformer_family_coord_set.Atom_site_ordered_flag_desc   .
   _Conformer_family_coord_set.Details                       .

   loop_
      _Conformer_family_refinement.Refine_method
      _Conformer_family_refinement.Refine_details
      _Conformer_family_refinement.Software_ID
      _Conformer_family_refinement.Software_label
      _Conformer_family_refinement.Entry_ID
      _Conformer_family_refinement.Conformer_family_coord_set_ID

      'simulated annealing' 'NOE intensities obtained at 200 ms mixing time were converted into semi-quantitative distance restrains. The upper limits of the distances restrains thus obtained were 2.8, 3.4 and 5.0 Ǻ (strong, medium, and weak NOE, respectively). Structure calculations were performed using the Xplor-NIH software, version 2.14.0 . Starting with an extended conformation, 100 structures were generated using a simulated annealing protocol. This was followed by 15000 steps of simulated annealing at 1000 K and a subsequent decrease in temperature in 14000 steps in the first slow-cool annealing stage.' . . 20080 1 

   stop_

   loop_
      _Conformer_family_coord_set_expt.Experiment_ID
      _Conformer_family_coord_set_expt.Experiment_name
      _Conformer_family_coord_set_expt.Sample_ID
      _Conformer_family_coord_set_expt.Sample_label
      _Conformer_family_coord_set_expt.Sample_state
      _Conformer_family_coord_set_expt.Entry_ID
      _Conformer_family_coord_set_expt.Conformer_family_coord_set_ID

      . . 1 $sample_1 . 20080 1 

   stop_

save_