data_199

#######################
#  Entry information  #
#######################

save_entry_information
   _Entry.Sf_category                    entry_information
   _Entry.Sf_framecode                   entry_information
   _Entry.ID                             199
   _Entry.Title                         
;
Determination of the Complete Three-dimensional Structure of the Trypsin 
Inhibitor from Squash Seeds in Aqueous Solution by Nuclear Magnetic Resonance 
and a Combination of Distance Geometry and Dynamical Simulated Annealing
;
   _Entry.Type                           macromolecule
   _Entry.Version_type                   update
   _Entry.Submission_date                1995-07-31
   _Entry.Accession_date                 1996-03-25
   _Entry.Last_release_date              .
   _Entry.Original_release_date          .
   _Entry.Origination                    BMRB
   _Entry.NMR_STAR_version               3.1.1.61
   _Entry.Original_NMR_STAR_version      2.1
   _Entry.Experimental_method            NMR
   _Entry.Experimental_method_subtype    .
   _Entry.Details                        .
   _Entry.BMRB_internal_directory_name   .

   loop_
      _Entry_author.Ordinal
      _Entry_author.Given_name
      _Entry_author.Family_name
      _Entry_author.First_initial
      _Entry_author.Middle_initials
      _Entry_author.Family_title
      _Entry_author.Entry_ID

      1 Tadeusz Holak    . A. . 199 
      2 D.      Gondol   . .  . 199 
      3 J.      Otlewski . .  . 199 
      4 T.      Wilusz   . .  . 199 

   stop_

   loop_
      _Data_set.Type
      _Data_set.Count
      _Data_set.Entry_ID

      assigned_chemical_shifts 1 199 

   stop_

   loop_
      _Datum.Type
      _Datum.Count
      _Datum.Entry_ID

      '1H chemical shifts' 192 199 

   stop_

   loop_
      _Release.Release_number
      _Release.Format_type
      _Release.Format_version
      _Release.Date
      _Release.Submission_date
      _Release.Type
      _Release.Author
      _Release.Detail
      _Release.Entry_ID

      4 . . 2010-06-10 . revision BMRB 'Complete natural source information'                    199 
      3 . . 1999-06-14 . revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format'                199 
      2 . . 1996-03-25 . reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 199 
      1 . . 1995-07-31 . original BMRB 'Last release in original BMRB flat-file format'         199 

   stop_

save_


###############
#  Citations  #
###############

save_entry_citation
   _Citation.Sf_category                  citations
   _Citation.Sf_framecode                 entry_citation
   _Citation.Entry_ID                     199
   _Citation.ID                           1
   _Citation.Class                       'entry citation'
   _Citation.CAS_abstract_code            .
   _Citation.MEDLINE_UI_code              .
   _Citation.DOI                          .
   _Citation.PubMed_ID                    .
   _Citation.Full_citation               
;
 Holak, Tadeusz A., Gondol, D., Otlewski, J., Wilusz, T., 
 "Determination of the Complete Three-dimensional Structure of the Trypsin 
 Inhibitor from Squash Seeds in Aqueous Solution by Nuclear Magnetic 
 Resonance and a Combination of Distance Geometry and Dynamical Simulated 
 Annealing,"
 J. Mol. Biol. 210, 635-648 (1989).
;
   _Citation.Title                       
;
Determination of the Complete Three-dimensional Structure of the Trypsin 
Inhibitor from Squash Seeds in Aqueous Solution by Nuclear Magnetic Resonance 
and a Combination of Distance Geometry and Dynamical Simulated Annealing
;
   _Citation.Status                       published
   _Citation.Type                         journal
   _Citation.Journal_abbrev              'J. Mol. Biol.'
   _Citation.Journal_name_full            .
   _Citation.Journal_volume               210
   _Citation.Journal_issue                .
   _Citation.Journal_ASTM                 .
   _Citation.Journal_ISSN                 .
   _Citation.Journal_CSD                  .
   _Citation.Book_title                   .
   _Citation.Book_chapter_title           .
   _Citation.Book_volume                  .
   _Citation.Book_series                  .
   _Citation.Book_publisher               .
   _Citation.Book_publisher_city          .
   _Citation.Book_ISBN                    .
   _Citation.Conference_title             .
   _Citation.Conference_site              .
   _Citation.Conference_state_province    .
   _Citation.Conference_country           .
   _Citation.Conference_start_date        .
   _Citation.Conference_end_date          .
   _Citation.Conference_abstract_number   .
   _Citation.Thesis_institution           .
   _Citation.Thesis_institution_city      .
   _Citation.Thesis_institution_country   .
   _Citation.WWW_URL                      .
   _Citation.Page_first                   635
   _Citation.Page_last                    648
   _Citation.Year                         1989
   _Citation.Details                      .

   loop_
      _Citation_author.Ordinal
      _Citation_author.Given_name
      _Citation_author.Family_name
      _Citation_author.First_initial
      _Citation_author.Middle_initials
      _Citation_author.Family_title
      _Citation_author.Entry_ID
      _Citation_author.Citation_ID

      1 Tadeusz Holak    . A. . 199 1 
      2 D.      Gondol   . .  . 199 1 
      3 J.      Otlewski . .  . 199 1 
      4 T.      Wilusz   . .  . 199 1 

   stop_

save_


#############################################
#  Molecular system (assembly) description  #
#############################################

save_system_trypsin_inhibitor_CMTI-I
   _Assembly.Sf_category                       assembly
   _Assembly.Sf_framecode                      system_trypsin_inhibitor_CMTI-I
   _Assembly.Entry_ID                          199
   _Assembly.ID                                1
   _Assembly.Name                             'trypsin inhibitor CMTI-I'
   _Assembly.BMRB_code                         .
   _Assembly.Number_of_components              .
   _Assembly.Organic_ligands                   .
   _Assembly.Metal_ions                        .
   _Assembly.Non_standard_bonds                .
   _Assembly.Ambiguous_conformational_states   .
   _Assembly.Ambiguous_chem_comp_sites         .
   _Assembly.Molecules_in_chemical_exchange    .
   _Assembly.Paramagnetic                      .
   _Assembly.Thiol_state                       .
   _Assembly.Molecular_mass                    .
   _Assembly.Enzyme_commission_number          .
   _Assembly.Details                           .
   _Assembly.DB_query_date                     .
   _Assembly.DB_query_revised_last_date        .

   loop_
      _Entity_assembly.ID
      _Entity_assembly.Entity_assembly_name
      _Entity_assembly.Entity_ID
      _Entity_assembly.Entity_label
      _Entity_assembly.Asym_ID
      _Entity_assembly.PDB_chain_ID
      _Entity_assembly.Experimental_data_reported
      _Entity_assembly.Physical_state
      _Entity_assembly.Conformational_isomer
      _Entity_assembly.Chemical_exchange_state
      _Entity_assembly.Magnetic_equivalence_group_code
      _Entity_assembly.Role
      _Entity_assembly.Details
      _Entity_assembly.Entry_ID
      _Entity_assembly.Assembly_ID

      1 'trypsin inhibitor CMTI-I' 1 $trypsin_inhibitor_CMTI-I . . . . . . . . . 199 1 

   stop_

   loop_
      _Assembly_common_name.Name
      _Assembly_common_name.Type
      _Assembly_common_name.Entry_ID
      _Assembly_common_name.Assembly_ID

      'trypsin inhibitor CMTI-I' system 199 1 

   stop_

save_


    ####################################
    #  Biological polymers and ligands #
    ####################################

save_trypsin_inhibitor_CMTI-I
   _Entity.Sf_category                       entity
   _Entity.Sf_framecode                      trypsin_inhibitor_CMTI-I
   _Entity.Entry_ID                          199
   _Entity.ID                                1
   _Entity.BMRB_code                         .
   _Entity.Name                             'trypsin inhibitor CMTI-I'
   _Entity.Type                              polymer
   _Entity.Polymer_common_type               .
   _Entity.Polymer_type                      polypeptide(L)
   _Entity.Polymer_type_details              .
   _Entity.Polymer_strand_ID                 .
   _Entity.Polymer_seq_one_letter_code_can  
;
RVCPRILMKCKKDSDCLAEC
VCLEHGYCG
;
   _Entity.Polymer_seq_one_letter_code      
;
RVCPRILMKCKKDSDCLAEC
VCLEHGYCG
;
   _Entity.Target_identifier                 .
   _Entity.Polymer_author_defined_seq        .
   _Entity.Polymer_author_seq_details        .
   _Entity.Ambiguous_conformational_states   .
   _Entity.Ambiguous_chem_comp_sites         .
   _Entity.Nstd_monomer                      .
   _Entity.Nstd_chirality                    .
   _Entity.Nstd_linkage                      .
   _Entity.Nonpolymer_comp_ID                .
   _Entity.Nonpolymer_comp_label             .
   _Entity.Number_of_monomers                29
   _Entity.Number_of_nonpolymer_components   .
   _Entity.Paramagnetic                      .
   _Entity.Thiol_state                       .
   _Entity.Src_method                        .
   _Entity.Parent_entity_ID                  1
   _Entity.Fragment                          .
   _Entity.Mutation                          .
   _Entity.EC_number                         .
   _Entity.Calc_isoelectric_point            .
   _Entity.Formula_weight                    .
   _Entity.Formula_weight_exptl              .
   _Entity.Formula_weight_exptl_meth         .
   _Entity.Details                           .
   _Entity.DB_query_date                     .
   _Entity.DB_query_revised_last_date        2015-11-25

   loop_
      _Entity_db_link.Ordinal
      _Entity_db_link.Author_supplied
      _Entity_db_link.Database_code
      _Entity_db_link.Accession_code
      _Entity_db_link.Entry_mol_code
      _Entity_db_link.Entry_mol_name
      _Entity_db_link.Entry_experimental_method
      _Entity_db_link.Entry_structure_resolution
      _Entity_db_link.Entry_relation_type
      _Entity_db_link.Entry_details
      _Entity_db_link.Chimera_segment_ID
      _Entity_db_link.Seq_query_to_submitted_percent
      _Entity_db_link.Seq_subject_length
      _Entity_db_link.Seq_identity
      _Entity_db_link.Seq_positive
      _Entity_db_link.Seq_homology_expectation_val
      _Entity_db_link.Seq_align_begin
      _Entity_db_link.Seq_align_end
      _Entity_db_link.Seq_difference_details
      _Entity_db_link.Seq_alignment_details
      _Entity_db_link.Entry_ID
      _Entity_db_link.Entity_ID

      1 no BMRB     2227 . "trypsin inhibitor CMTI-III"                                                                                                      . . . . . 100.00  29 100.00 100.00 9.09e-11 . . . . 199 1 
      2 no BMRB     2527 . "trypsin inhibitor CMTI-III"                                                                                                      . . . . .  82.76  24 100.00 100.00 9.28e-07 . . . . 199 1 
      3 no BMRB     2798 . "trypsin inhibitor CMTI-III"                                                                                                      . . . . .  82.76  24 100.00 100.00 9.28e-07 . . . . 199 1 
      4 no BMRB     2799 . "trypsin inhibitor CMTI-III"                                                                                                      . . . . .  82.76  24 100.00 100.00 9.28e-07 . . . . 199 1 
      5 no BMRB      314 . "trypsin inhibitor CMTI-I"                                                                                                        . . . . . 100.00  29 100.00 100.00 9.09e-11 . . . . 199 1 
      6 no GB   AHW57457  . "GB1-CMTI-III [synthetic construct]"                                                                                              . . . . . 100.00 107 100.00 100.00 1.62e-11 . . . . 199 1 
      7 no SP   P07853    . "RecName: Full=Trypsin inhibitor 4; AltName: Full=CMTI-IV; AltName: Full=Trypsin inhibitor IV; Contains: RecName: Full=Trypsin i" . . . . . 100.00  32 100.00 100.00 9.02e-11 . . . . 199 1 

   stop_

   loop_
      _Entity_common_name.Name
      _Entity_common_name.Type
      _Entity_common_name.Entry_ID
      _Entity_common_name.Entity_ID

      'trypsin inhibitor CMTI-I' common 199 1 

   stop_

   loop_
      _Entity_comp_index.ID
      _Entity_comp_index.Auth_seq_ID
      _Entity_comp_index.Comp_ID
      _Entity_comp_index.Comp_label
      _Entity_comp_index.Entry_ID
      _Entity_comp_index.Entity_ID

       1 . ARG . 199 1 
       2 . VAL . 199 1 
       3 . CYS . 199 1 
       4 . PRO . 199 1 
       5 . ARG . 199 1 
       6 . ILE . 199 1 
       7 . LEU . 199 1 
       8 . MET . 199 1 
       9 . LYS . 199 1 
      10 . CYS . 199 1 
      11 . LYS . 199 1 
      12 . LYS . 199 1 
      13 . ASP . 199 1 
      14 . SER . 199 1 
      15 . ASP . 199 1 
      16 . CYS . 199 1 
      17 . LEU . 199 1 
      18 . ALA . 199 1 
      19 . GLU . 199 1 
      20 . CYS . 199 1 
      21 . VAL . 199 1 
      22 . CYS . 199 1 
      23 . LEU . 199 1 
      24 . GLU . 199 1 
      25 . HIS . 199 1 
      26 . GLY . 199 1 
      27 . TYR . 199 1 
      28 . CYS . 199 1 
      29 . GLY . 199 1 

   stop_

   loop_
      _Entity_poly_seq.Hetero
      _Entity_poly_seq.Mon_ID
      _Entity_poly_seq.Num
      _Entity_poly_seq.Comp_index_ID
      _Entity_poly_seq.Entry_ID
      _Entity_poly_seq.Entity_ID

      . ARG  1  1 199 1 
      . VAL  2  2 199 1 
      . CYS  3  3 199 1 
      . PRO  4  4 199 1 
      . ARG  5  5 199 1 
      . ILE  6  6 199 1 
      . LEU  7  7 199 1 
      . MET  8  8 199 1 
      . LYS  9  9 199 1 
      . CYS 10 10 199 1 
      . LYS 11 11 199 1 
      . LYS 12 12 199 1 
      . ASP 13 13 199 1 
      . SER 14 14 199 1 
      . ASP 15 15 199 1 
      . CYS 16 16 199 1 
      . LEU 17 17 199 1 
      . ALA 18 18 199 1 
      . GLU 19 19 199 1 
      . CYS 20 20 199 1 
      . VAL 21 21 199 1 
      . CYS 22 22 199 1 
      . LEU 23 23 199 1 
      . GLU 24 24 199 1 
      . HIS 25 25 199 1 
      . GLY 26 26 199 1 
      . TYR 27 27 199 1 
      . CYS 28 28 199 1 
      . GLY 29 29 199 1 

   stop_

save_


    ####################
    #  Natural source  #
    ####################

save_natural_source
   _Entity_natural_src_list.Sf_category    natural_source
   _Entity_natural_src_list.Sf_framecode   natural_source
   _Entity_natural_src_list.Entry_ID       199
   _Entity_natural_src_list.ID             1

   loop_
      _Entity_natural_src.ID
      _Entity_natural_src.Entity_ID
      _Entity_natural_src.Entity_label
      _Entity_natural_src.Entity_chimera_segment_ID
      _Entity_natural_src.NCBI_taxonomy_ID
      _Entity_natural_src.Type
      _Entity_natural_src.Common
      _Entity_natural_src.Organism_name_scientific
      _Entity_natural_src.Organism_name_common
      _Entity_natural_src.Organism_acronym
      _Entity_natural_src.ICTVdb_decimal_code
      _Entity_natural_src.Superkingdom
      _Entity_natural_src.Kingdom
      _Entity_natural_src.Genus
      _Entity_natural_src.Species
      _Entity_natural_src.Strain
      _Entity_natural_src.Variant
      _Entity_natural_src.Subvariant
      _Entity_natural_src.Organ
      _Entity_natural_src.Tissue
      _Entity_natural_src.Tissue_fraction
      _Entity_natural_src.Cell_line
      _Entity_natural_src.Cell_type
      _Entity_natural_src.ATCC_number
      _Entity_natural_src.Organelle
      _Entity_natural_src.Cellular_location
      _Entity_natural_src.Fragment
      _Entity_natural_src.Fraction
      _Entity_natural_src.Secretion
      _Entity_natural_src.Plasmid
      _Entity_natural_src.Plasmid_details
      _Entity_natural_src.Gene_mnemonic
      _Entity_natural_src.Dev_stage
      _Entity_natural_src.Details
      _Entity_natural_src.Citation_ID
      _Entity_natural_src.Citation_label
      _Entity_natural_src.Entry_ID
      _Entity_natural_src.Entity_natural_src_list_ID

      1 1 $trypsin_inhibitor_CMTI-I . 3661 organism . 'Cucurbita maxima' squash . . Eukaryota Viridiplantae Cucurbita maxima generic . . . seed . . . . . . . . . . . . . . . . 199 1 

   stop_

save_


    #########################
    #  Experimental source  #
    #########################

save_experimental_source
   _Entity_experimental_src_list.Sf_category    experimental_source
   _Entity_experimental_src_list.Sf_framecode   experimental_source
   _Entity_experimental_src_list.Entry_ID       199
   _Entity_experimental_src_list.ID             1

   loop_
      _Entity_experimental_src.ID
      _Entity_experimental_src.Entity_ID
      _Entity_experimental_src.Entity_label
      _Entity_experimental_src.Entity_chimera_segment_ID
      _Entity_experimental_src.Production_method
      _Entity_experimental_src.Host_org_scientific_name
      _Entity_experimental_src.Host_org_name_common
      _Entity_experimental_src.Host_org_details
      _Entity_experimental_src.Host_org_NCBI_taxonomy_ID
      _Entity_experimental_src.Host_org_genus
      _Entity_experimental_src.Host_org_species
      _Entity_experimental_src.Host_org_strain
      _Entity_experimental_src.Host_org_variant
      _Entity_experimental_src.Host_org_subvariant
      _Entity_experimental_src.Host_org_organ
      _Entity_experimental_src.Host_org_tissue
      _Entity_experimental_src.Host_org_tissue_fraction
      _Entity_experimental_src.Host_org_cell_line
      _Entity_experimental_src.Host_org_cell_type
      _Entity_experimental_src.Host_org_cellular_location
      _Entity_experimental_src.Host_org_organelle
      _Entity_experimental_src.Host_org_gene
      _Entity_experimental_src.Host_org_culture_collection
      _Entity_experimental_src.Host_org_ATCC_number
      _Entity_experimental_src.Vector_type
      _Entity_experimental_src.PDBview_host_org_vector_name
      _Entity_experimental_src.PDBview_plasmid_name
      _Entity_experimental_src.Vector_name
      _Entity_experimental_src.Vector_details
      _Entity_experimental_src.Vendor_name
      _Entity_experimental_src.Host_org_dev_stage
      _Entity_experimental_src.Details
      _Entity_experimental_src.Citation_ID
      _Entity_experimental_src.Citation_label
      _Entity_experimental_src.Entry_ID
      _Entity_experimental_src.Entity_experimental_src_list_ID

      1 1 $trypsin_inhibitor_CMTI-I . 'not available' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 199 1 

   stop_

save_


#####################################
#  Sample contents and methodology  #
#####################################
	 
    ########################
    #  Sample description  #
    ########################

save_sample_one
   _Sample.Sf_category                      sample
   _Sample.Sf_framecode                     sample_one
   _Sample.Entry_ID                         199
   _Sample.ID                               1
   _Sample.Type                             solution
   _Sample.Sub_type                         .
   _Sample.Details                          .
   _Sample.Aggregate_sample_number          .
   _Sample.Solvent_system                   .
   _Sample.Preparation_date                 .
   _Sample.Preparation_expiration_date      .
   _Sample.Polycrystallization_protocol     .
   _Sample.Single_crystal_protocol          .
   _Sample.Crystal_grow_apparatus           .
   _Sample.Crystal_grow_atmosphere          .
   _Sample.Crystal_grow_details             .
   _Sample.Crystal_grow_method              .
   _Sample.Crystal_grow_method_cit_ID       .
   _Sample.Crystal_grow_pH                  .
   _Sample.Crystal_grow_pH_range            .
   _Sample.Crystal_grow_pressure            .
   _Sample.Crystal_grow_pressure_esd        .
   _Sample.Crystal_grow_seeding             .
   _Sample.Crystal_grow_seeding_cit_ID      .
   _Sample.Crystal_grow_temp                .
   _Sample.Crystal_grow_temp_details        .
   _Sample.Crystal_grow_temp_esd            .
   _Sample.Crystal_grow_time                .
   _Sample.Oriented_sample_prep_protocol    .
   _Sample.Lyophilization_cryo_protectant   .
   _Sample.Storage_protocol                 .

save_


#######################
#  Sample conditions  #
#######################

save_sample_condition_set_one
   _Sample_condition_list.Sf_category    sample_conditions
   _Sample_condition_list.Sf_framecode   sample_condition_set_one
   _Sample_condition_list.Entry_ID       199
   _Sample_condition_list.ID             1
   _Sample_condition_list.Details        .

   loop_
      _Sample_condition_variable.Type
      _Sample_condition_variable.Val
      _Sample_condition_variable.Val_err
      _Sample_condition_variable.Val_units
      _Sample_condition_variable.Entry_ID
      _Sample_condition_variable.Sample_condition_list_ID

      pH            4.3 . na 199 1 
      temperature 298   . K  199 1 

   stop_

save_


#########################
#  Experimental detail  #
#########################

    ##################################
    #  NMR Spectrometer definitions  #
    ##################################

save_spectrometer_list
   _NMR_spectrometer.Sf_category      NMR_spectrometer
   _NMR_spectrometer.Sf_framecode     spectrometer_list
   _NMR_spectrometer.Entry_ID         199
   _NMR_spectrometer.ID               1
   _NMR_spectrometer.Details         'spectrometer information not available'
   _NMR_spectrometer.Manufacturer     unknown
   _NMR_spectrometer.Model            unknown
   _NMR_spectrometer.Serial_number    .
   _NMR_spectrometer.Field_strength   0

save_


save_NMR_spectrometer_list
   _NMR_spectrometer_list.Sf_category    NMR_spectrometer_list
   _NMR_spectrometer_list.Sf_framecode   NMR_spectrometer_list
   _NMR_spectrometer_list.Entry_ID       199
   _NMR_spectrometer_list.ID             1

   loop_
      _NMR_spectrometer_view.ID
      _NMR_spectrometer_view.Name
      _NMR_spectrometer_view.Manufacturer
      _NMR_spectrometer_view.Model
      _NMR_spectrometer_view.Serial_number
      _NMR_spectrometer_view.Field_strength
      _NMR_spectrometer_view.Details
      _NMR_spectrometer_view.Citation_ID
      _NMR_spectrometer_view.Citation_label
      _NMR_spectrometer_view.Entry_ID
      _NMR_spectrometer_view.NMR_spectrometer_list_ID

      1 spectrometer_1 unknown unknown . 0 'spectrometer information not available' . . 199 1 

   stop_

save_


    #############################
    #  NMR applied experiments  #
    #############################

save_experiment_list
   _Experiment_list.Sf_category    experiment_list
   _Experiment_list.Sf_framecode   experiment_list
   _Experiment_list.Entry_ID       199
   _Experiment_list.ID             1
   _Experiment_list.Details        .

   loop_
      _Experiment.ID
      _Experiment.Name
      _Experiment.Raw_data_flag
      _Experiment.NMR_spec_expt_ID
      _Experiment.NMR_spec_expt_label
      _Experiment.MS_expt_ID
      _Experiment.MS_expt_label
      _Experiment.SAXS_expt_ID
      _Experiment.SAXS_expt_label
      _Experiment.FRET_expt_ID
      _Experiment.FRET_expt_label
      _Experiment.EMR_expt_ID
      _Experiment.EMR_expt_label
      _Experiment.Sample_ID
      _Experiment.Sample_label
      _Experiment.Sample_state
      _Experiment.Sample_volume
      _Experiment.Sample_volume_units
      _Experiment.Sample_condition_list_ID
      _Experiment.Sample_condition_list_label
      _Experiment.Sample_spinning_rate
      _Experiment.Sample_angle
      _Experiment.NMR_tube_type
      _Experiment.NMR_spectrometer_ID
      _Experiment.NMR_spectrometer_label
      _Experiment.NMR_spectrometer_probe_ID
      _Experiment.NMR_spectrometer_probe_label
      _Experiment.NMR_spectral_processing_ID
      _Experiment.NMR_spectral_processing_label
      _Experiment.Mass_spectrometer_ID
      _Experiment.Mass_spectrometer_label
      _Experiment.Xray_instrument_ID
      _Experiment.Xray_instrument_label
      _Experiment.Fluorescence_instrument_ID
      _Experiment.Fluorescence_instrument_label
      _Experiment.EMR_instrument_ID
      _Experiment.EMR_instrument_label
      _Experiment.Chromatographic_system_ID
      _Experiment.Chromatographic_system_label
      _Experiment.Chromatographic_column_ID
      _Experiment.Chromatographic_column_label
      _Experiment.Entry_ID
      _Experiment.Experiment_list_ID

      1 . . . . . . . . . . . . 1 $sample_one . . . 1 $sample_condition_set_one . . . 1 $spectrometer_list . . . . . . . . . . . . . . . . 199 1 

   stop_

save_


####################
#  NMR parameters  #
####################

    ##############################
    #  Assigned chemical shifts  #
    ##############################

	################################
	#  Chemical shift referencing  #
	################################

save_chem_shift_reference_par_set_one
   _Chem_shift_reference.Sf_category    chem_shift_reference
   _Chem_shift_reference.Sf_framecode   chem_shift_reference_par_set_one
   _Chem_shift_reference.Entry_ID       199
   _Chem_shift_reference.ID             1
   _Chem_shift_reference.Details        .

   loop_
      _Chem_shift_ref.Atom_type
      _Chem_shift_ref.Atom_isotope_number
      _Chem_shift_ref.Mol_common_name
      _Chem_shift_ref.Atom_group
      _Chem_shift_ref.Concentration_val
      _Chem_shift_ref.Concentration_units
      _Chem_shift_ref.Solvent
      _Chem_shift_ref.Rank
      _Chem_shift_ref.Chem_shift_units
      _Chem_shift_ref.Chem_shift_val
      _Chem_shift_ref.Ref_method
      _Chem_shift_ref.Ref_type
      _Chem_shift_ref.Indirect_shift_ratio
      _Chem_shift_ref.External_ref_loc
      _Chem_shift_ref.External_ref_sample_geometry
      _Chem_shift_ref.External_ref_axis
      _Chem_shift_ref.Indirect_shift_ratio_cit_ID
      _Chem_shift_ref.Indirect_shift_ratio_cit_label
      _Chem_shift_ref.Ref_correction_type
      _Chem_shift_ref.Correction_val
      _Chem_shift_ref.Correction_val_cit_ID
      _Chem_shift_ref.Correction_val_cit_label
      _Chem_shift_ref.Entry_ID
      _Chem_shift_ref.Chem_shift_reference_ID

      H . DSS . . . . . ppm 0 . . . . . . 1 $entry_citation . . 1 $entry_citation 199 1 

   stop_

save_


     ###################################
     #  Assigned chemical shift lists  #
     ###################################

###################################################################
#       Chemical Shift Ambiguity Index Value Definitions          #
#                                                                 #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains.                              #
#                                                                 #
#   Index Value            Definition                             #
#                                                                 #
#      1             Unique (including isolated methyl protons,   #
#                         geminal atoms, and geminal methyl       #
#                         groups with identical chemical shifts)  #
#                         (e.g. ILE HD11, HD12, HD13 protons)     #
#      2             Ambiguity of geminal atoms or geminal methyl #
#                         proton groups (e.g. ASP HB2 and HB3     #
#                         protons, LEU CD1 and CD2 carbons, or    #
#                         LEU HD11, HD12, HD13 and HD21, HD22,    #
#                         HD23 methyl protons)                    #
#      3             Aromatic atoms on opposite sides of          #
#                         symmetrical rings (e.g. TYR HE1 and HE2 #
#                         protons)                                #
#      4             Intraresidue ambiguities (e.g. LYS HG and    #
#                         HD protons or TRP HZ2 and HZ3 protons)  #
#      5             Interresidue ambiguities (LYS 12 vs. LYS 27) #
#      6             Intermolecular ambiguities (e.g. ASP 31 CA   #
#                         in monomer 1 and ASP 31 CA in monomer 2 #
#                         of an asymmetrical homodimer, duplex    #
#                         DNA assignments, or other assignments   #
#                         that may apply to atoms in one or more  #
#                         molecule in the molecular assembly)     #
#      9             Ambiguous, specific ambiguity not defined    #
#                                                                 #
###################################################################
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                      199
   _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 . 199 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 ARG HA   H 1 4.08 . . 1 . . . . . . . . 199 1 
        2 . 1 1  1  1 ARG HB2  H 1 1.88 . . 1 . . . . . . . . 199 1 
        3 . 1 1  1  1 ARG HB3  H 1 1.88 . . 1 . . . . . . . . 199 1 
        4 . 1 1  1  1 ARG HG2  H 1 1.55 . . 2 . . . . . . . . 199 1 
        5 . 1 1  1  1 ARG HG3  H 1 1.41 . . 2 . . . . . . . . 199 1 
        6 . 1 1  1  1 ARG HD2  H 1 3.19 . . 2 . . . . . . . . 199 1 
        7 . 1 1  1  1 ARG HD3  H 1 3.27 . . 2 . . . . . . . . 199 1 
        8 . 1 1  2  2 VAL H    H 1 8.97 . . 1 . . . . . . . . 199 1 
        9 . 1 1  2  2 VAL HA   H 1 4.05 . . 1 . . . . . . . . 199 1 
       10 . 1 1  2  2 VAL HB   H 1 1.99 . . 1 . . . . . . . . 199 1 
       11 . 1 1  2  2 VAL HG11 H 1  .82 . . 2 . . . . . . . . 199 1 
       12 . 1 1  2  2 VAL HG12 H 1  .82 . . 2 . . . . . . . . 199 1 
       13 . 1 1  2  2 VAL HG13 H 1  .82 . . 2 . . . . . . . . 199 1 
       14 . 1 1  2  2 VAL HG21 H 1  .88 . . 2 . . . . . . . . 199 1 
       15 . 1 1  2  2 VAL HG22 H 1  .88 . . 2 . . . . . . . . 199 1 
       16 . 1 1  2  2 VAL HG23 H 1  .88 . . 2 . . . . . . . . 199 1 
       17 . 1 1  3  3 CYS H    H 1 8.53 . . 1 . . . . . . . . 199 1 
       18 . 1 1  3  3 CYS HA   H 1 5.16 . . 1 . . . . . . . . 199 1 
       19 . 1 1  3  3 CYS HB2  H 1 2.8  . . 1 . . . . . . . . 199 1 
       20 . 1 1  3  3 CYS HB3  H 1 2.65 . . 1 . . . . . . . . 199 1 
       21 . 1 1  4  4 PRO HA   H 1 4.39 . . 1 . . . . . . . . 199 1 
       22 . 1 1  4  4 PRO HB2  H 1 1.79 . . 1 . . . . . . . . 199 1 
       23 . 1 1  4  4 PRO HB3  H 1 2.3  . . 1 . . . . . . . . 199 1 
       24 . 1 1  4  4 PRO HG2  H 1 2.02 . . 1 . . . . . . . . 199 1 
       25 . 1 1  4  4 PRO HG3  H 1 2.02 . . 1 . . . . . . . . 199 1 
       26 . 1 1  4  4 PRO HD2  H 1 3.72 . . 2 . . . . . . . . 199 1 
       27 . 1 1  4  4 PRO HD3  H 1 3.87 . . 2 . . . . . . . . 199 1 
       28 . 1 1  5  5 ARG H    H 1 8.58 . . 1 . . . . . . . . 199 1 
       29 . 1 1  5  5 ARG HA   H 1 4.39 . . 1 . . . . . . . . 199 1 
       30 . 1 1  5  5 ARG HB2  H 1 1.9  . . 1 . . . . . . . . 199 1 
       31 . 1 1  5  5 ARG HB3  H 1 1.9  . . 1 . . . . . . . . 199 1 
       32 . 1 1  5  5 ARG HG2  H 1 1.64 . . 2 . . . . . . . . 199 1 
       33 . 1 1  5  5 ARG HG3  H 1 1.69 . . 2 . . . . . . . . 199 1 
       34 . 1 1  5  5 ARG HD2  H 1 3.22 . . 1 . . . . . . . . 199 1 
       35 . 1 1  5  5 ARG HD3  H 1 3.22 . . 1 . . . . . . . . 199 1 
       36 . 1 1  6  6 ILE H    H 1 7.41 . . 1 . . . . . . . . 199 1 
       37 . 1 1  6  6 ILE HA   H 1 4.17 . . 1 . . . . . . . . 199 1 
       38 . 1 1  6  6 ILE HB   H 1 1.61 . . 1 . . . . . . . . 199 1 
       39 . 1 1  6  6 ILE HG12 H 1  .97 . . 2 . . . . . . . . 199 1 
       40 . 1 1  6  6 ILE HG13 H 1 1.31 . . 2 . . . . . . . . 199 1 
       41 . 1 1  6  6 ILE HG21 H 1  .8  . . 1 . . . . . . . . 199 1 
       42 . 1 1  6  6 ILE HG22 H 1  .8  . . 1 . . . . . . . . 199 1 
       43 . 1 1  6  6 ILE HG23 H 1  .8  . . 1 . . . . . . . . 199 1 
       44 . 1 1  6  6 ILE HD11 H 1  .82 . . 1 . . . . . . . . 199 1 
       45 . 1 1  6  6 ILE HD12 H 1  .82 . . 1 . . . . . . . . 199 1 
       46 . 1 1  6  6 ILE HD13 H 1  .82 . . 1 . . . . . . . . 199 1 
       47 . 1 1  7  7 LEU H    H 1 8.72 . . 1 . . . . . . . . 199 1 
       48 . 1 1  7  7 LEU HA   H 1 4.38 . . 1 . . . . . . . . 199 1 
       49 . 1 1  7  7 LEU HB2  H 1 1.72 . . 2 . . . . . . . . 199 1 
       50 . 1 1  7  7 LEU HB3  H 1 1.42 . . 2 . . . . . . . . 199 1 
       51 . 1 1  7  7 LEU HG   H 1 1.44 . . 1 . . . . . . . . 199 1 
       52 . 1 1  7  7 LEU HD11 H 1  .68 . . 2 . . . . . . . . 199 1 
       53 . 1 1  7  7 LEU HD12 H 1  .68 . . 2 . . . . . . . . 199 1 
       54 . 1 1  7  7 LEU HD13 H 1  .68 . . 2 . . . . . . . . 199 1 
       55 . 1 1  7  7 LEU HD21 H 1  .74 . . 2 . . . . . . . . 199 1 
       56 . 1 1  7  7 LEU HD22 H 1  .74 . . 2 . . . . . . . . 199 1 
       57 . 1 1  7  7 LEU HD23 H 1  .74 . . 2 . . . . . . . . 199 1 
       58 . 1 1  8  8 MET H    H 1 9.09 . . 1 . . . . . . . . 199 1 
       59 . 1 1  8  8 MET HA   H 1 4.56 . . 1 . . . . . . . . 199 1 
       60 . 1 1  8  8 MET HB2  H 1 1.76 . . 2 . . . . . . . . 199 1 
       61 . 1 1  8  8 MET HB3  H 1 2.01 . . 2 . . . . . . . . 199 1 
       62 . 1 1  8  8 MET HG2  H 1 2.45 . . 2 . . . . . . . . 199 1 
       63 . 1 1  8  8 MET HG3  H 1 2.63 . . 2 . . . . . . . . 199 1 
       64 . 1 1  8  8 MET HE1  H 1 2.16 . . 1 . . . . . . . . 199 1 
       65 . 1 1  8  8 MET HE2  H 1 2.16 . . 1 . . . . . . . . 199 1 
       66 . 1 1  8  8 MET HE3  H 1 2.16 . . 1 . . . . . . . . 199 1 
       67 . 1 1  9  9 LYS H    H 1 8.67 . . 1 . . . . . . . . 199 1 
       68 . 1 1  9  9 LYS HA   H 1 4.56 . . 1 . . . . . . . . 199 1 
       69 . 1 1  9  9 LYS HB2  H 1 1.88 . . 1 . . . . . . . . 199 1 
       70 . 1 1  9  9 LYS HB3  H 1 1.99 . . 1 . . . . . . . . 199 1 
       71 . 1 1  9  9 LYS HG2  H 1 2.16 . . 2 . . . . . . . . 199 1 
       72 . 1 1  9  9 LYS HG3  H 1 2.32 . . 2 . . . . . . . . 199 1 
       73 . 1 1 10 10 CYS H    H 1 8.1  . . 1 . . . . . . . . 199 1 
       74 . 1 1 10 10 CYS HA   H 1 4.85 . . 1 . . . . . . . . 199 1 
       75 . 1 1 10 10 CYS HB2  H 1 3.18 . . 1 . . . . . . . . 199 1 
       76 . 1 1 10 10 CYS HB3  H 1 3.05 . . 1 . . . . . . . . 199 1 
       77 . 1 1 11 11 LYS H    H 1 9.37 . . 1 . . . . . . . . 199 1 
       78 . 1 1 11 11 LYS HA   H 1 4.39 . . 1 . . . . . . . . 199 1 
       79 . 1 1 11 11 LYS HB2  H 1 1.83 . . 2 . . . . . . . . 199 1 
       80 . 1 1 11 11 LYS HB3  H 1 1.71 . . 2 . . . . . . . . 199 1 
       81 . 1 1 11 11 LYS HG2  H 1 1.41 . . 2 . . . . . . . . 199 1 
       82 . 1 1 11 11 LYS HG3  H 1 1.47 . . 2 . . . . . . . . 199 1 
       83 . 1 1 11 11 LYS HD2  H 1 1.62 . . 1 . . . . . . . . 199 1 
       84 . 1 1 11 11 LYS HD3  H 1 1.62 . . 1 . . . . . . . . 199 1 
       85 . 1 1 11 11 LYS HE2  H 1 2.97 . . 1 . . . . . . . . 199 1 
       86 . 1 1 11 11 LYS HE3  H 1 2.97 . . 1 . . . . . . . . 199 1 
       87 . 1 1 12 12 LYS H    H 1 8.07 . . 1 . . . . . . . . 199 1 
       88 . 1 1 12 12 LYS HA   H 1 4.73 . . 1 . . . . . . . . 199 1 
       89 . 1 1 12 12 LYS HB2  H 1 1.78 . . 2 . . . . . . . . 199 1 
       90 . 1 1 12 12 LYS HB3  H 1 1.93 . . 2 . . . . . . . . 199 1 
       91 . 1 1 12 12 LYS HG2  H 1 1.35 . . 1 . . . . . . . . 199 1 
       92 . 1 1 12 12 LYS HG3  H 1 1.22 . . 1 . . . . . . . . 199 1 
       93 . 1 1 12 12 LYS HD2  H 1 1.61 . . 1 . . . . . . . . 199 1 
       94 . 1 1 12 12 LYS HD3  H 1 1.61 . . 1 . . . . . . . . 199 1 
       95 . 1 1 12 12 LYS HE2  H 1 2.93 . . 1 . . . . . . . . 199 1 
       96 . 1 1 12 12 LYS HE3  H 1 2.93 . . 1 . . . . . . . . 199 1 
       97 . 1 1 13 13 ASP H    H 1 9.03 . . 1 . . . . . . . . 199 1 
       98 . 1 1 13 13 ASP HA   H 1 4.09 . . 1 . . . . . . . . 199 1 
       99 . 1 1 13 13 ASP HB2  H 1 2.7  . . 1 . . . . . . . . 199 1 
      100 . 1 1 13 13 ASP HB3  H 1 2.82 . . 1 . . . . . . . . 199 1 
      101 . 1 1 14 14 SER H    H 1 8    . . 1 . . . . . . . . 199 1 
      102 . 1 1 14 14 SER HA   H 1 4.3  . . 1 . . . . . . . . 199 1 
      103 . 1 1 14 14 SER HB2  H 1 4.11 . . 1 . . . . . . . . 199 1 
      104 . 1 1 14 14 SER HB3  H 1 3.8  . . 1 . . . . . . . . 199 1 
      105 . 1 1 15 15 ASP H    H 1 7.71 . . 1 . . . . . . . . 199 1 
      106 . 1 1 15 15 ASP HA   H 1 4.58 . . 1 . . . . . . . . 199 1 
      107 . 1 1 15 15 ASP HB2  H 1 2.97 . . 1 . . . . . . . . 199 1 
      108 . 1 1 15 15 ASP HB3  H 1 2.97 . . 1 . . . . . . . . 199 1 
      109 . 1 1 16 16 CYS H    H 1 7.73 . . 1 . . . . . . . . 199 1 
      110 . 1 1 16 16 CYS HA   H 1 4.87 . . 1 . . . . . . . . 199 1 
      111 . 1 1 16 16 CYS HB2  H 1 2.81 . . 1 . . . . . . . . 199 1 
      112 . 1 1 16 16 CYS HB3  H 1 3.12 . . 1 . . . . . . . . 199 1 
      113 . 1 1 17 17 LEU H    H 1 8.54 . . 1 . . . . . . . . 199 1 
      114 . 1 1 17 17 LEU HA   H 1 4.3  . . 1 . . . . . . . . 199 1 
      115 . 1 1 17 17 LEU HB2  H 1 1.44 . . 2 . . . . . . . . 199 1 
      116 . 1 1 17 17 LEU HB3  H 1 1.66 . . 2 . . . . . . . . 199 1 
      117 . 1 1 17 17 LEU HG   H 1 1.66 . . 1 . . . . . . . . 199 1 
      118 . 1 1 17 17 LEU HD11 H 1  .88 . . 1 . . . . . . . . 199 1 
      119 . 1 1 17 17 LEU HD12 H 1  .88 . . 1 . . . . . . . . 199 1 
      120 . 1 1 17 17 LEU HD13 H 1  .88 . . 1 . . . . . . . . 199 1 
      121 . 1 1 17 17 LEU HD21 H 1  .88 . . 1 . . . . . . . . 199 1 
      122 . 1 1 17 17 LEU HD22 H 1  .88 . . 1 . . . . . . . . 199 1 
      123 . 1 1 17 17 LEU HD23 H 1  .88 . . 1 . . . . . . . . 199 1 
      124 . 1 1 18 18 ALA H    H 1 8.45 . . 1 . . . . . . . . 199 1 
      125 . 1 1 18 18 ALA HA   H 1 3.94 . . 1 . . . . . . . . 199 1 
      126 . 1 1 18 18 ALA HB1  H 1 1.42 . . 1 . . . . . . . . 199 1 
      127 . 1 1 18 18 ALA HB2  H 1 1.42 . . 1 . . . . . . . . 199 1 
      128 . 1 1 18 18 ALA HB3  H 1 1.42 . . 1 . . . . . . . . 199 1 
      129 . 1 1 19 19 GLU H    H 1 8.38 . . 1 . . . . . . . . 199 1 
      130 . 1 1 19 19 GLU HA   H 1 4.41 . . 1 . . . . . . . . 199 1 
      131 . 1 1 19 19 GLU HB2  H 1 2.19 . . 2 . . . . . . . . 199 1 
      132 . 1 1 19 19 GLU HB3  H 1 2.23 . . 2 . . . . . . . . 199 1 
      133 . 1 1 19 19 GLU HG2  H 1 2.35 . . 1 . . . . . . . . 199 1 
      134 . 1 1 19 19 GLU HG3  H 1 2.35 . . 1 . . . . . . . . 199 1 
      135 . 1 1 20 20 CYS H    H 1 8.55 . . 1 . . . . . . . . 199 1 
      136 . 1 1 20 20 CYS HA   H 1 4.62 . . 1 . . . . . . . . 199 1 
      137 . 1 1 20 20 CYS HB2  H 1 3.42 . . 1 . . . . . . . . 199 1 
      138 . 1 1 20 20 CYS HB3  H 1 3.22 . . 1 . . . . . . . . 199 1 
      139 . 1 1 21 21 VAL H    H 1 9.34 . . 1 . . . . . . . . 199 1 
      140 . 1 1 21 21 VAL HA   H 1 4.36 . . 1 . . . . . . . . 199 1 
      141 . 1 1 21 21 VAL HB   H 1 2.12 . . 1 . . . . . . . . 199 1 
      142 . 1 1 21 21 VAL HG11 H 1  .78 . . 1 . . . . . . . . 199 1 
      143 . 1 1 21 21 VAL HG12 H 1  .78 . . 1 . . . . . . . . 199 1 
      144 . 1 1 21 21 VAL HG13 H 1  .78 . . 1 . . . . . . . . 199 1 
      145 . 1 1 21 21 VAL HG21 H 1  .69 . . 1 . . . . . . . . 199 1 
      146 . 1 1 21 21 VAL HG22 H 1  .69 . . 1 . . . . . . . . 199 1 
      147 . 1 1 21 21 VAL HG23 H 1  .69 . . 1 . . . . . . . . 199 1 
      148 . 1 1 22 22 CYS H    H 1 9.18 . . 1 . . . . . . . . 199 1 
      149 . 1 1 22 22 CYS HA   H 1 4.82 . . 1 . . . . . . . . 199 1 
      150 . 1 1 22 22 CYS HB2  H 1 2.38 . . 1 . . . . . . . . 199 1 
      151 . 1 1 22 22 CYS HB3  H 1 2.81 . . 1 . . . . . . . . 199 1 
      152 . 1 1 23 23 LEU H    H 1 8.25 . . 1 . . . . . . . . 199 1 
      153 . 1 1 23 23 LEU HA   H 1 4.37 . . 1 . . . . . . . . 199 1 
      154 . 1 1 23 23 LEU HB2  H 1 1.87 . . 1 . . . . . . . . 199 1 
      155 . 1 1 23 23 LEU HB3  H 1 1.62 . . 1 . . . . . . . . 199 1 
      156 . 1 1 23 23 LEU HG   H 1 1.75 . . 1 . . . . . . . . 199 1 
      157 . 1 1 23 23 LEU HD11 H 1  .87 . . 1 . . . . . . . . 199 1 
      158 . 1 1 23 23 LEU HD12 H 1  .87 . . 1 . . . . . . . . 199 1 
      159 . 1 1 23 23 LEU HD13 H 1  .87 . . 1 . . . . . . . . 199 1 
      160 . 1 1 23 23 LEU HD21 H 1  .8  . . 1 . . . . . . . . 199 1 
      161 . 1 1 23 23 LEU HD22 H 1  .8  . . 1 . . . . . . . . 199 1 
      162 . 1 1 23 23 LEU HD23 H 1  .8  . . 1 . . . . . . . . 199 1 
      163 . 1 1 24 24 GLU H    H 1 8.57 . . 1 . . . . . . . . 199 1 
      164 . 1 1 24 24 GLU HA   H 1 3.95 . . 1 . . . . . . . . 199 1 
      165 . 1 1 24 24 GLU HB2  H 1 1.88 . . 1 . . . . . . . . 199 1 
      166 . 1 1 24 24 GLU HB3  H 1 1.96 . . 1 . . . . . . . . 199 1 
      167 . 1 1 24 24 GLU HG2  H 1 2.04 . . 2 . . . . . . . . 199 1 
      168 . 1 1 24 24 GLU HG3  H 1 2.11 . . 2 . . . . . . . . 199 1 
      169 . 1 1 25 25 HIS H    H 1 8.14 . . 1 . . . . . . . . 199 1 
      170 . 1 1 25 25 HIS HA   H 1 4.66 . . 1 . . . . . . . . 199 1 
      171 . 1 1 25 25 HIS HB2  H 1 3.39 . . 1 . . . . . . . . 199 1 
      172 . 1 1 25 25 HIS HB3  H 1 3.57 . . 1 . . . . . . . . 199 1 
      173 . 1 1 25 25 HIS HD2  H 1 7.3  . . 1 . . . . . . . . 199 1 
      174 . 1 1 25 25 HIS HE1  H 1 8.58 . . 1 . . . . . . . . 199 1 
      175 . 1 1 26 26 GLY H    H 1 8.3  . . 1 . . . . . . . . 199 1 
      176 . 1 1 26 26 GLY HA2  H 1 3.76 . . 2 . . . . . . . . 199 1 
      177 . 1 1 26 26 GLY HA3  H 1 3.98 . . 2 . . . . . . . . 199 1 
      178 . 1 1 27 27 TYR H    H 1 6.87 . . 1 . . . . . . . . 199 1 
      179 . 1 1 27 27 TYR HA   H 1 5.36 . . 1 . . . . . . . . 199 1 
      180 . 1 1 27 27 TYR HB2  H 1 2.66 . . 1 . . . . . . . . 199 1 
      181 . 1 1 27 27 TYR HB3  H 1 3    . . 1 . . . . . . . . 199 1 
      182 . 1 1 27 27 TYR HD1  H 1 6.87 . . 1 . . . . . . . . 199 1 
      183 . 1 1 27 27 TYR HD2  H 1 6.87 . . 1 . . . . . . . . 199 1 
      184 . 1 1 27 27 TYR HE1  H 1 6.71 . . 1 . . . . . . . . 199 1 
      185 . 1 1 27 27 TYR HE2  H 1 6.71 . . 1 . . . . . . . . 199 1 
      186 . 1 1 28 28 CYS H    H 1 8.43 . . 1 . . . . . . . . 199 1 
      187 . 1 1 28 28 CYS HA   H 1 5.27 . . 1 . . . . . . . . 199 1 
      188 . 1 1 28 28 CYS HB2  H 1 3.11 . . 1 . . . . . . . . 199 1 
      189 . 1 1 28 28 CYS HB3  H 1 2.88 . . 1 . . . . . . . . 199 1 
      190 . 1 1 29 29 GLY H    H 1 9.74 . . 1 . . . . . . . . 199 1 
      191 . 1 1 29 29 GLY HA2  H 1 3.8  . . 2 . . . . . . . . 199 1 
      192 . 1 1 29 29 GLY HA3  H 1 4.18 . . 2 . . . . . . . . 199 1 

   stop_

save_