data_30222


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

save_entry_information
   _Entry.Sf_category                    entry_information
   _Entry.Sf_framecode                   entry_information
   _Entry.ID                             30222
   _Entry.Title
;
Solution NMR structure of the major species of DANCER-2, a dynamic and natively folded pentamutant of the B1 domain of streptococcal protein G (GB1)
;
   _Entry.Type                           macromolecule
   _Entry.Version_type                   original
   _Entry.Submission_date                2016-12-22
   _Entry.Accession_date                 2016-12-22
   _Entry.Last_release_date              2017-02-02
   _Entry.Original_release_date          2017-02-02
   _Entry.Origination                    author
   _Entry.Format_name                    .
   _Entry.NMR_STAR_version               3.2.0.16
   _Entry.Original_NMR_STAR_version      3.1
   _Entry.Experimental_method            NMR
   _Entry.Experimental_method_subtype    SOLUTION
   _Entry.Source_data_format             .
   _Entry.Source_data_format_version     .
   _Entry.Generated_software_name        .
   _Entry.Generated_software_version     .
   _Entry.Generated_software_ID          .
   _Entry.Generated_software_label       .
   _Entry.Generated_date                 .
   _Entry.DOI                            .
   _Entry.UUID                           .
   _Entry.Related_coordinate_file_name   .
   _Entry.Details                        .

   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.ORCID
      _Entry_author.Entry_ID

      1   A.   Damry   A.   M.   .   .   30222
      2   J.   Davey   J.   A.   .   .   30222
      3   N.   Goto    N.   K.   .   .   30222
      4   R.   Chica   R.   A.   .   .   30222
   stop_

   loop_
      _Struct_keywords.Keywords
      _Struct_keywords.Text
      _Struct_keywords.Entry_ID

      'DE NOVO PROTEIN'           .   30222
      'computational design'      .   30222
      'conformational exchange'   .   30222
      dynamics                    .   30222
      immunoglobulin-binding      .   30222
   stop_

   loop_
      _Data_set.Type
      _Data_set.Count
      _Data_set.Entry_ID

      assigned_chemical_shifts   1   30222
      spectral_peak_list         3   30222
   stop_

   loop_
      _Datum.Type
      _Datum.Count
      _Datum.Entry_ID

      '13C chemical shifts'   230   30222
      '15N chemical shifts'   61    30222
      '1H chemical shifts'    329   30222
   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

      2   .   .   2017-11-30   2016-12-22   update     BMRB     'update entry citation'   30222
      1   .   .   2017-08-16   2016-12-22   original   author   'original release'        30222
   stop_

   loop_
      _Related_entries.Database_name
      _Related_entries.Database_accession_code
      _Related_entries.Relationship
      _Related_entries.Entry_ID

      BMRB   30220   NERD-C                         30222
      BMRB   30221   NERD-S                         30222
      BMRB   30223   'minor species of DANCER-2'    30222
      PDB    5UCE    'BMRB Entry Tracking System'   30222
   stop_
save_


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

save_citation_1
   _Citation.Sf_category                  citations
   _Citation.Sf_framecode                 citation_1
   _Citation.Entry_ID                     30222
   _Citation.ID                           1
   _Citation.Class                        'entry citation'
   _Citation.CAS_abstract_code            .
   _Citation.MEDLINE_UI_code              .
   _Citation.DOI                          10.1038/nchembio.2503
   _Citation.PubMed_ID                    29058725
   _Citation.Full_citation                .
   _Citation.Title
;
Rational design of proteins that exchange on functional timescales.
;
   _Citation.Status                       published
   _Citation.Type                         journal
   _Citation.Journal_abbrev               'Nat. Chem. Biol.'
   _Citation.Journal_name_full            'Nature chemical biology'
   _Citation.Journal_volume               13
   _Citation.Journal_issue                12
   _Citation.Journal_ASTM                 .
   _Citation.Journal_ISSN                 1552-4469
   _Citation.Journal_CSD                  0353
   _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                   1280
   _Citation.Page_last                    1285
   _Citation.Year                         2017
   _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.ORCID
      _Citation_author.Entry_ID
      _Citation_author.Citation_ID

      1   J.   Davey   J.   A.   .   .   30222   1
      2   A.   Damry   A.   M.   .   .   30222   1
      3   N.   Goto    N.   K.   .   .   30222   1
      4   R.   Chica   R.   A.   .   .   30222   1
   stop_
save_


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

save_assembly
   _Assembly.Sf_category                       assembly
   _Assembly.Sf_framecode                      assembly
   _Assembly.Entry_ID                          30222
   _Assembly.ID                                1
   _Assembly.Name                              'Immunoglobulin G-binding protein G'
   _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                      no
   _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   entity_1   1   $entity_1   A   A   yes   .   .   .   .   .   .   30222   1
   stop_
save_


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

save_entity_1
   _Entity.Sf_category                       entity
   _Entity.Sf_framecode                      entity_1
   _Entity.Entry_ID                          30222
   _Entity.ID                                1
   _Entity.BMRB_code                         .
   _Entity.Name                              entity_1
   _Entity.Type                              polymer
   _Entity.Polymer_common_type               .
   _Entity.Polymer_type                      polypeptide(L)
   _Entity.Polymer_type_details              .
   _Entity.Polymer_strand_ID                 A
   _Entity.Polymer_seq_one_letter_code_can   .
   _Entity.Polymer_seq_one_letter_code
;
MTFKAIINGKTLKGETTTEA
VDAATAEKVFKQYFNDNGLD
GEWTYDDATKTFTVTE
;
   _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                      no
   _Entity.Nstd_chirality                    .
   _Entity.Nstd_linkage                      no
   _Entity.Nonpolymer_comp_ID                .
   _Entity.Nonpolymer_comp_label             .
   _Entity.Number_of_monomers                56
   _Entity.Number_of_nonpolymer_components   .
   _Entity.Paramagnetic                      no
   _Entity.Thiol_state                       'not present'
   _Entity.Src_method                        man
   _Entity.Parent_entity_ID                  1
   _Entity.Fragment                          'UNP residues 373-427'
   _Entity.Mutation                          Y3F/L5A/L7I/A34F/V39L
   _Entity.EC_number                         .
   _Entity.Calc_isoelectric_point            .
   _Entity.Formula_weight                    6233.827
   _Entity.Formula_weight_exptl              .
   _Entity.Formula_weight_exptl_meth         .
   _Entity.Details                           .
   _Entity.DB_query_date                     .
   _Entity.DB_query_revised_last_date        .

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

      'IgG-binding protein G'   na   30222   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    .   MET   .   30222   1
      2    .   THR   .   30222   1
      3    .   PHE   .   30222   1
      4    .   LYS   .   30222   1
      5    .   ALA   .   30222   1
      6    .   ILE   .   30222   1
      7    .   ILE   .   30222   1
      8    .   ASN   .   30222   1
      9    .   GLY   .   30222   1
      10   .   LYS   .   30222   1
      11   .   THR   .   30222   1
      12   .   LEU   .   30222   1
      13   .   LYS   .   30222   1
      14   .   GLY   .   30222   1
      15   .   GLU   .   30222   1
      16   .   THR   .   30222   1
      17   .   THR   .   30222   1
      18   .   THR   .   30222   1
      19   .   GLU   .   30222   1
      20   .   ALA   .   30222   1
      21   .   VAL   .   30222   1
      22   .   ASP   .   30222   1
      23   .   ALA   .   30222   1
      24   .   ALA   .   30222   1
      25   .   THR   .   30222   1
      26   .   ALA   .   30222   1
      27   .   GLU   .   30222   1
      28   .   LYS   .   30222   1
      29   .   VAL   .   30222   1
      30   .   PHE   .   30222   1
      31   .   LYS   .   30222   1
      32   .   GLN   .   30222   1
      33   .   TYR   .   30222   1
      34   .   PHE   .   30222   1
      35   .   ASN   .   30222   1
      36   .   ASP   .   30222   1
      37   .   ASN   .   30222   1
      38   .   GLY   .   30222   1
      39   .   LEU   .   30222   1
      40   .   ASP   .   30222   1
      41   .   GLY   .   30222   1
      42   .   GLU   .   30222   1
      43   .   TRP   .   30222   1
      44   .   THR   .   30222   1
      45   .   TYR   .   30222   1
      46   .   ASP   .   30222   1
      47   .   ASP   .   30222   1
      48   .   ALA   .   30222   1
      49   .   THR   .   30222   1
      50   .   LYS   .   30222   1
      51   .   THR   .   30222   1
      52   .   PHE   .   30222   1
      53   .   THR   .   30222   1
      54   .   VAL   .   30222   1
      55   .   THR   .   30222   1
      56   .   GLU   .   30222   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

      .   MET   1    1    30222   1
      .   THR   2    2    30222   1
      .   PHE   3    3    30222   1
      .   LYS   4    4    30222   1
      .   ALA   5    5    30222   1
      .   ILE   6    6    30222   1
      .   ILE   7    7    30222   1
      .   ASN   8    8    30222   1
      .   GLY   9    9    30222   1
      .   LYS   10   10   30222   1
      .   THR   11   11   30222   1
      .   LEU   12   12   30222   1
      .   LYS   13   13   30222   1
      .   GLY   14   14   30222   1
      .   GLU   15   15   30222   1
      .   THR   16   16   30222   1
      .   THR   17   17   30222   1
      .   THR   18   18   30222   1
      .   GLU   19   19   30222   1
      .   ALA   20   20   30222   1
      .   VAL   21   21   30222   1
      .   ASP   22   22   30222   1
      .   ALA   23   23   30222   1
      .   ALA   24   24   30222   1
      .   THR   25   25   30222   1
      .   ALA   26   26   30222   1
      .   GLU   27   27   30222   1
      .   LYS   28   28   30222   1
      .   VAL   29   29   30222   1
      .   PHE   30   30   30222   1
      .   LYS   31   31   30222   1
      .   GLN   32   32   30222   1
      .   TYR   33   33   30222   1
      .   PHE   34   34   30222   1
      .   ASN   35   35   30222   1
      .   ASP   36   36   30222   1
      .   ASN   37   37   30222   1
      .   GLY   38   38   30222   1
      .   LEU   39   39   30222   1
      .   ASP   40   40   30222   1
      .   GLY   41   41   30222   1
      .   GLU   42   42   30222   1
      .   TRP   43   43   30222   1
      .   THR   44   44   30222   1
      .   TYR   45   45   30222   1
      .   ASP   46   46   30222   1
      .   ASP   47   47   30222   1
      .   ALA   48   48   30222   1
      .   THR   49   49   30222   1
      .   LYS   50   50   30222   1
      .   THR   51   51   30222   1
      .   PHE   52   52   30222   1
      .   THR   53   53   30222   1
      .   VAL   54   54   30222   1
      .   THR   55   55   30222   1
      .   GLU   56   56   30222   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       30222
   _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.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.Secretion
      _Entity_natural_src.Plasmid
      _Entity_natural_src.Gene_mnemonic
      _Entity_natural_src.Details
      _Entity_natural_src.Entry_ID
      _Entity_natural_src.Entity_natural_src_list_ID

      1   1   $entity_1   .   1325   organism   .   'Streptococcus sp. GX7805'   'Streptococcus sp. GX7805'   .   .   Bacteria   .   Streptococcus   'Streptococcus sp. GX7805'   .   .   .   .   .   .   .   .   .   .   .   spg   .   30222   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       30222
   _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_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.Details
      _Entity_experimental_src.Entry_ID
      _Entity_experimental_src.Entity_experimental_src_list_ID

      1   1   $entity_1   .   'recombinant technology'   'Escherichia coli'   .   .   562   Escherichia   coli   BL21-Gold(DE3)   .   .   plasmid   .   .   pJ414   .   .   .   30222   1
   stop_
save_


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

save_sample_1
   _Sample.Sf_category                      sample
   _Sample.Sf_framecode                     sample_1
   _Sample.Entry_ID                         30222
   _Sample.ID                               1
   _Sample.Type                             solution
   _Sample.Sub_type                         .
   _Sample.Details

;
200 uM [U-98% 15N] protein (GB1), 10 mM sodium phosphate, 100 uM EDTA, 0.02 % sodium azide, 90% H2O, 10% D2O
;

   _Sample.Aggregate_sample_number          .
   _Sample.Solvent_system                   '90% H2O, 10% D2O'
   _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                 .

   loop_
      _Sample_component.ID
      _Sample_component.Mol_common_name
      _Sample_component.Isotopic_labeling
      _Sample_component.Assembly_ID
      _Sample_component.Assembly_label
      _Sample_component.Entity_ID
      _Sample_component.Entity_label
      _Sample_component.Product_ID
      _Sample_component.Type
      _Sample_component.Concentration_val
      _Sample_component.Concentration_val_min
      _Sample_component.Concentration_val_max
      _Sample_component.Concentration_val_units
      _Sample_component.Concentration_val_err
      _Sample_component.Vendor
      _Sample_component.Vendor_product_name
      _Sample_component.Vendor_product_code
      _Sample_component.Entry_ID
      _Sample_component.Sample_ID

      1   EDTA                 'natural abundance'   .   .   .   .           .   .   100    .   .   uM   .   .   .   .   30222   1
      2   'protein (GB1)'      '[U-98% 15N]'         .   .   1   $entity_1   .   .   200    .   .   uM   .   .   .   .   30222   1
      3   'sodium azide'       'natural abundance'   .   .   .   .           .   .   0.02   .   .   %    .   .   .   .   30222   1
      4   'sodium phosphate'   'natural abundance'   .   .   .   .           .   .   10     .   .   mM   .   .   .   .   30222   1
   stop_
save_

save_sample_2
   _Sample.Sf_category                      sample
   _Sample.Sf_framecode                     sample_2
   _Sample.Entry_ID                         30222
   _Sample.ID                               2
   _Sample.Type                             solution
   _Sample.Sub_type                         .
   _Sample.Details

;
200 uM [U-99% 13C; U-98% 15N] protein (GB1), 10 mM sodium phosphate, 100 uM EDTA, 0.02 % sodium azide, 90% H2O/10% D2O
;

   _Sample.Aggregate_sample_number          .
   _Sample.Solvent_system                   '90% H2O/10% D2O'
   _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                 .

   loop_
      _Sample_component.ID
      _Sample_component.Mol_common_name
      _Sample_component.Isotopic_labeling
      _Sample_component.Assembly_ID
      _Sample_component.Assembly_label
      _Sample_component.Entity_ID
      _Sample_component.Entity_label
      _Sample_component.Product_ID
      _Sample_component.Type
      _Sample_component.Concentration_val
      _Sample_component.Concentration_val_min
      _Sample_component.Concentration_val_max
      _Sample_component.Concentration_val_units
      _Sample_component.Concentration_val_err
      _Sample_component.Vendor
      _Sample_component.Vendor_product_name
      _Sample_component.Vendor_product_code
      _Sample_component.Entry_ID
      _Sample_component.Sample_ID

      1   EDTA                 'natural abundance'        .   .   .   .           .   .   100    .   .   uM   .   .   .   .   30222   2
      2   'protein (GB1)'      '[U-99% 13C; U-98% 15N]'   .   .   1   $entity_1   .   .   200    .   .   uM   .   .   .   .   30222   2
      3   'sodium azide'       'natural abundance'        .   .   .   .           .   .   0.02   .   .   %    .   .   .   .   30222   2
      4   'sodium phosphate'   'natural abundance'        .   .   .   .           .   .   10     .   .   mM   .   .   .   .   30222   2
   stop_
save_

save_sample_3
   _Sample.Sf_category                      sample
   _Sample.Sf_framecode                     sample_3
   _Sample.Entry_ID                         30222
   _Sample.ID                               3
   _Sample.Type                             solution
   _Sample.Sub_type                         .
   _Sample.Details

;
200 uM [U-99% 13C; U-98% 15N] protein (GB1), 10 mM sodium phosphate, 100 uM EDTA, 0.02 % sodium azide, 100% D2O
;

   _Sample.Aggregate_sample_number          .
   _Sample.Solvent_system                   '100% D2O'
   _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                 .

   loop_
      _Sample_component.ID
      _Sample_component.Mol_common_name
      _Sample_component.Isotopic_labeling
      _Sample_component.Assembly_ID
      _Sample_component.Assembly_label
      _Sample_component.Entity_ID
      _Sample_component.Entity_label
      _Sample_component.Product_ID
      _Sample_component.Type
      _Sample_component.Concentration_val
      _Sample_component.Concentration_val_min
      _Sample_component.Concentration_val_max
      _Sample_component.Concentration_val_units
      _Sample_component.Concentration_val_err
      _Sample_component.Vendor
      _Sample_component.Vendor_product_name
      _Sample_component.Vendor_product_code
      _Sample_component.Entry_ID
      _Sample_component.Sample_ID

      1   EDTA                 'natural abundance'        .   .   .   .           .   .   100    .   .   uM   .   .   .   .   30222   3
      2   'protein (GB1)'      '[U-99% 13C; U-98% 15N]'   .   .   1   $entity_1   .   .   200    .   .   uM   .   .   .   .   30222   3
      3   'sodium azide'       'natural abundance'        .   .   .   .           .   .   0.02   .   .   %    .   .   .   .   30222   3
      4   'sodium phosphate'   'natural abundance'        .   .   .   .           .   .   10     .   .   mM   .   .   .   .   30222   3
   stop_
save_


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

save_sample_conditions_1
   _Sample_condition_list.Sf_category    sample_conditions
   _Sample_condition_list.Sf_framecode   sample_conditions_1
   _Sample_condition_list.Entry_ID       30222
   _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

      'ionic strength'   10    .   mM    30222   1
      pH                 7.4   .   pH    30222   1
      pressure           1     .   atm   30222   1
      temperature        298   .   K     30222   1
   stop_
save_


############################
#  Computer software used  #
############################

save_software_1
   _Software.Sf_category    software
   _Software.Sf_framecode   software_1
   _Software.Entry_ID       30222
   _Software.ID             1
   _Software.Type           .
   _Software.Name           CYANA
   _Software.Version        .
   _Software.DOI            .
   _Software.Details        .

   loop_
      _Vendor.Name
      _Vendor.Address
      _Vendor.Electronic_address
      _Vendor.Entry_ID
      _Vendor.Software_ID

      'Guntert, Mumenthaler and Wuthrich'   .   .   30222   1
   stop_

   loop_
      _Task.Task
      _Task.Entry_ID
      _Task.Software_ID

      refinement                30222   1
      'structure calculation'   30222   1
   stop_
save_

save_software_2
   _Software.Sf_category    software
   _Software.Sf_framecode   software_2
   _Software.Entry_ID       30222
   _Software.ID             2
   _Software.Type           .
   _Software.Name           NMRPipe
   _Software.Version        .
   _Software.DOI            .
   _Software.Details        .

   loop_
      _Vendor.Name
      _Vendor.Address
      _Vendor.Electronic_address
      _Vendor.Entry_ID
      _Vendor.Software_ID

      'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax'   .   .   30222   2
   stop_

   loop_
      _Task.Task
      _Task.Entry_ID
      _Task.Software_ID

      processing   30222   2
   stop_
save_

save_software_3
   _Software.Sf_category    software
   _Software.Sf_framecode   software_3
   _Software.Entry_ID       30222
   _Software.ID             3
   _Software.Type           .
   _Software.Name           NMRView
   _Software.Version        .
   _Software.DOI            .
   _Software.Details        .

   loop_
      _Vendor.Name
      _Vendor.Address
      _Vendor.Electronic_address
      _Vendor.Entry_ID
      _Vendor.Software_ID

      'Johnson, One Moon Scientific'   .   .   30222   3
   stop_

   loop_
      _Task.Task
      _Task.Entry_ID
      _Task.Software_ID

      'chemical shift assignment'   30222   3
      'peak picking'                30222   3
   stop_
save_

save_software_4
   _Software.Sf_category    software
   _Software.Sf_framecode   software_4
   _Software.Entry_ID       30222
   _Software.ID             4
   _Software.Type           .
   _Software.Name           TOPSPIN
   _Software.Version        .
   _Software.DOI            .
   _Software.Details        .

   loop_
      _Vendor.Name
      _Vendor.Address
      _Vendor.Electronic_address
      _Vendor.Entry_ID
      _Vendor.Software_ID

      'Bruker Biospin'   .   .   30222   4
   stop_

   loop_
      _Task.Task
      _Task.Entry_ID
      _Task.Software_ID

      collection   30222   4
   stop_
save_


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

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

save_NMR_spectrometer_1
   _NMR_spectrometer.Sf_category      NMR_spectrometer
   _NMR_spectrometer.Sf_framecode     NMR_spectrometer_1
   _NMR_spectrometer.Entry_ID         30222
   _NMR_spectrometer.ID               1
   _NMR_spectrometer.Details          .
   _NMR_spectrometer.Manufacturer     Bruker
   _NMR_spectrometer.Model            'AVANCE III HD'
   _NMR_spectrometer.Serial_number    .
   _NMR_spectrometer.Field_strength   600
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       30222
   _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   NMR_spectrometer_1   Bruker   'AVANCE III HD'   .   600   .   .   .   30222   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       30222
   _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    '3D 1H-15N NOESY'             no   .   .   .   .   .   .   .   .   .   .   1   $sample_1   isotropic   .   .   1   $sample_conditions_1   .   .   .   1   $NMR_spectrometer_1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   30222   1
      2    '3D 1H-13C NOESY aliphatic'   no   .   .   .   .   .   .   .   .   .   .   3   $sample_3   isotropic   .   .   1   $sample_conditions_1   .   .   .   1   $NMR_spectrometer_1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   30222   1
      3    '3D 1H-13C NOESY aromatic'    no   .   .   .   .   .   .   .   .   .   .   3   $sample_3   isotropic   .   .   1   $sample_conditions_1   .   .   .   1   $NMR_spectrometer_1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   30222   1
      4    '3D HNCACB'                   no   .   .   .   .   .   .   .   .   .   .   2   $sample_2   isotropic   .   .   1   $sample_conditions_1   .   .   .   1   $NMR_spectrometer_1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   30222   1
      5    '3D CBCA(CO)NH'               no   .   .   .   .   .   .   .   .   .   .   2   $sample_2   isotropic   .   .   1   $sample_conditions_1   .   .   .   1   $NMR_spectrometer_1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   30222   1
      6    '3D HNCO'                     no   .   .   .   .   .   .   .   .   .   .   2   $sample_2   isotropic   .   .   1   $sample_conditions_1   .   .   .   1   $NMR_spectrometer_1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   30222   1
      7    '3D CCH-TOCSY'                no   .   .   .   .   .   .   .   .   .   .   3   $sample_3   isotropic   .   .   1   $sample_conditions_1   .   .   .   1   $NMR_spectrometer_1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   30222   1
      8    '3D HCCH-TOCSY'               no   .   .   .   .   .   .   .   .   .   .   3   $sample_3   isotropic   .   .   1   $sample_conditions_1   .   .   .   1   $NMR_spectrometer_1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   30222   1
      9    '3D HCCH-COSY'                no   .   .   .   .   .   .   .   .   .   .   3   $sample_3   isotropic   .   .   1   $sample_conditions_1   .   .   .   1   $NMR_spectrometer_1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   30222   1
      10   '3D 1H-15N TOCSY'             no   .   .   .   .   .   .   .   .   .   .   1   $sample_1   isotropic   .   .   1   $sample_conditions_1   .   .   .   1   $NMR_spectrometer_1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   30222   1
      11   '2D 1H-13C HSQC'              no   .   .   .   .   .   .   .   .   .   .   3   $sample_3   isotropic   .   .   1   $sample_conditions_1   .   .   .   1   $NMR_spectrometer_1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   30222   1
      12   '2D 1H-13C HSQC'              no   .   .   .   .   .   .   .   .   .   .   2   $sample_2   isotropic   .   .   1   $sample_conditions_1   .   .   .   1   $NMR_spectrometer_1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   30222   1
      13   '2D 1H-15N HSQC'              no   .   .   .   .   .   .   .   .   .   .   1   $sample_1   isotropic   .   .   1   $sample_conditions_1   .   .   .   1   $NMR_spectrometer_1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   30222   1
   stop_
save_


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

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

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

save_chem_shift_reference_1
   _Chem_shift_reference.Sf_category    chem_shift_reference
   _Chem_shift_reference.Sf_framecode   chem_shift_reference_1
   _Chem_shift_reference.Entry_ID       30222
   _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.Ref_correction_type
      _Chem_shift_ref.Correction_val
      _Chem_shift_ref.Entry_ID
      _Chem_shift_ref.Chem_shift_reference_ID

      C   13   DSS   'methyl protons'   .   .   .   .   ppm   0.000   internal   indirect   0.25144953   .   .   .   .   .   30222   1
      H   1    DSS   'methyl protons'   .   .   .   .   ppm   0.000   internal   direct     1.0          .   .   .   .   .   30222   1
      N   15   DSS   'methyl protons'   .   .   .   .   ppm   0.000   internal   indirect   0.10132912   .   .   .   .   .   30222   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_assigned_chemical_shifts_1
   _Assigned_chem_shift_list.Sf_category                   assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                  assigned_chemical_shifts_1
   _Assigned_chem_shift_list.Entry_ID                      30222
   _Assigned_chem_shift_list.ID                            1
   _Assigned_chem_shift_list.Sample_condition_list_ID      1
   _Assigned_chem_shift_list.Sample_condition_list_label   $sample_conditions_1
   _Assigned_chem_shift_list.Chem_shift_reference_ID       1
   _Assigned_chem_shift_list.Chem_shift_reference_label    $chem_shift_reference_1
   _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    '3D 1H-15N NOESY'             .   .   .   30222   1
      2    '3D 1H-13C NOESY aliphatic'   .   .   .   30222   1
      3    '3D 1H-13C NOESY aromatic'    .   .   .   30222   1
      4    '3D HNCACB'                   .   .   .   30222   1
      5    '3D CBCA(CO)NH'               .   .   .   30222   1
      6    '3D HNCO'                     .   .   .   30222   1
      7    '3D CCH-TOCSY'                .   .   .   30222   1
      8    '3D HCCH-TOCSY'               .   .   .   30222   1
      9    '3D HCCH-COSY'                .   .   .   30222   1
      10   '3D 1H-15N TOCSY'             .   .   .   30222   1
      11   '2D 1H-13C HSQC'              .   .   .   30222   1
      12   '2D 1H-13C HSQC'              .   .   .   30222   1
      13   '2D 1H-15N HSQC'              .   .   .   30222   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.Ambiguity_set_ID
      _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    MET   H      H   1    8.4000     0.0000   .   1   .   .   .   .   A   1    MET   H1     .   30222   1
      2     .   1   1   1    1    MET   HA     H   1    4.6900     0.0000   .   1   .   .   .   .   A   1    MET   HA     .   30222   1
      3     .   1   1   1    1    MET   HB2    H   1    1.9180     0.0000   .   2   .   .   .   .   A   1    MET   HB2    .   30222   1
      4     .   1   1   1    1    MET   HG2    H   1    2.3480     0.0000   .   2   .   .   .   .   A   1    MET   HG2    .   30222   1
      5     .   1   1   1    1    MET   C      C   13   174.2760   0.0000   .   1   .   .   .   .   A   1    MET   C      .   30222   1
      6     .   1   1   1    1    MET   CA     C   13   54.5960    0.0000   .   1   .   .   .   .   A   1    MET   CA     .   30222   1
      7     .   1   1   1    1    MET   CB     C   13   35.2660    0.0000   .   1   .   .   .   .   A   1    MET   CB     .   30222   1
      8     .   1   1   1    1    MET   CG     C   13   31.7940    0.0000   .   1   .   .   .   .   A   1    MET   CG     .   30222   1
      9     .   1   1   1    1    MET   N      N   15   120.1280   0.0000   .   1   .   .   .   .   A   1    MET   N      .   30222   1
      10    .   1   1   2    2    THR   H      H   1    8.1190     0.0000   .   1   .   .   .   .   A   2    THR   H      .   30222   1
      11    .   1   1   2    2    THR   HA     H   1    4.8000     0.0000   .   1   .   .   .   .   A   2    THR   HA     .   30222   1
      12    .   1   1   2    2    THR   HB     H   1    3.9100     0.0000   .   1   .   .   .   .   A   2    THR   HB     .   30222   1
      13    .   1   1   2    2    THR   HG21   H   1    1.2120     0.0000   .   1   .   .   .   .   A   2    THR   HG21   .   30222   1
      14    .   1   1   2    2    THR   HG22   H   1    1.2120     0.0000   .   1   .   .   .   .   A   2    THR   HG22   .   30222   1
      15    .   1   1   2    2    THR   HG23   H   1    1.2120     0.0000   .   1   .   .   .   .   A   2    THR   HG23   .   30222   1
      16    .   1   1   2    2    THR   C      C   13   174.2750   0.0000   .   1   .   .   .   .   A   2    THR   C      .   30222   1
      17    .   1   1   2    2    THR   CA     C   13   63.4740    0.0000   .   1   .   .   .   .   A   2    THR   CA     .   30222   1
      18    .   1   1   2    2    THR   CB     C   13   69.3030    0.0000   .   1   .   .   .   .   A   2    THR   CB     .   30222   1
      19    .   1   1   2    2    THR   CG2    C   13   21.8900    0.0000   .   1   .   .   .   .   A   2    THR   CG2    .   30222   1
      20    .   1   1   2    2    THR   N      N   15   116.9900   0.0000   .   1   .   .   .   .   A   2    THR   N      .   30222   1
      21    .   1   1   3    3    PHE   H      H   1    9.3690     0.0000   .   1   .   .   .   .   A   3    PHE   H      .   30222   1
      22    .   1   1   3    3    PHE   HA     H   1    5.3740     0.0000   .   1   .   .   .   .   A   3    PHE   HA     .   30222   1
      23    .   1   1   3    3    PHE   HB2    H   1    3.3970     0.0000   .   2   .   .   .   .   A   3    PHE   HB2    .   30222   1
      24    .   1   1   3    3    PHE   HB3    H   1    2.9400     0.0000   .   2   .   .   .   .   A   3    PHE   HB3    .   30222   1
      25    .   1   1   3    3    PHE   C      C   13   174.5430   0.0000   .   1   .   .   .   .   A   3    PHE   C      .   30222   1
      26    .   1   1   3    3    PHE   CA     C   13   57.0620    0.0000   .   1   .   .   .   .   A   3    PHE   CA     .   30222   1
      27    .   1   1   3    3    PHE   CB     C   13   44.1570    0.0000   .   1   .   .   .   .   A   3    PHE   CB     .   30222   1
      28    .   1   1   3    3    PHE   N      N   15   126.1500   0.0000   .   1   .   .   .   .   A   3    PHE   N      .   30222   1
      29    .   1   1   4    4    LYS   H      H   1    8.9310     0.0000   .   1   .   .   .   .   A   4    LYS   H      .   30222   1
      30    .   1   1   4    4    LYS   HA     H   1    5.4100     0.0000   .   1   .   .   .   .   A   4    LYS   HA     .   30222   1
      31    .   1   1   4    4    LYS   HB2    H   1    2.0100     0.0000   .   2   .   .   .   .   A   4    LYS   HB2    .   30222   1
      32    .   1   1   4    4    LYS   HB3    H   1    1.9020     0.0000   .   2   .   .   .   .   A   4    LYS   HB3    .   30222   1
      33    .   1   1   4    4    LYS   HG2    H   1    1.5140     0.0000   .   2   .   .   .   .   A   4    LYS   HG2    .   30222   1
      34    .   1   1   4    4    LYS   HG3    H   1    1.4110     0.0000   .   2   .   .   .   .   A   4    LYS   HG3    .   30222   1
      35    .   1   1   4    4    LYS   HD2    H   1    1.6480     0.0000   .   2   .   .   .   .   A   4    LYS   HD2    .   30222   1
      36    .   1   1   4    4    LYS   HE2    H   1    2.7870     0.0000   .   2   .   .   .   .   A   4    LYS   HE2    .   30222   1
      37    .   1   1   4    4    LYS   C      C   13   173.9960   0.0000   .   1   .   .   .   .   A   4    LYS   C      .   30222   1
      38    .   1   1   4    4    LYS   CA     C   13   54.6970    0.0000   .   1   .   .   .   .   A   4    LYS   CA     .   30222   1
      39    .   1   1   4    4    LYS   CB     C   13   36.4910    0.0000   .   1   .   .   .   .   A   4    LYS   CB     .   30222   1
      40    .   1   1   4    4    LYS   CG     C   13   25.4710    0.0000   .   1   .   .   .   .   A   4    LYS   CG     .   30222   1
      41    .   1   1   4    4    LYS   CD     C   13   29.0160    0.0000   .   1   .   .   .   .   A   4    LYS   CD     .   30222   1
      42    .   1   1   4    4    LYS   CE     C   13   41.8100    0.0000   .   1   .   .   .   .   A   4    LYS   CE     .   30222   1
      43    .   1   1   4    4    LYS   N      N   15   121.7550   0.0000   .   1   .   .   .   .   A   4    LYS   N      .   30222   1
      44    .   1   1   5    5    ALA   H      H   1    8.7710     0.0000   .   1   .   .   .   .   A   5    ALA   H      .   30222   1
      45    .   1   1   5    5    ALA   HA     H   1    5.4250     0.0000   .   1   .   .   .   .   A   5    ALA   HA     .   30222   1
      46    .   1   1   5    5    ALA   HB1    H   1    0.1450     0.0000   .   1   .   .   .   .   A   5    ALA   HB1    .   30222   1
      47    .   1   1   5    5    ALA   HB2    H   1    0.1450     0.0000   .   1   .   .   .   .   A   5    ALA   HB2    .   30222   1
      48    .   1   1   5    5    ALA   HB3    H   1    0.1450     0.0000   .   1   .   .   .   .   A   5    ALA   HB3    .   30222   1
      49    .   1   1   5    5    ALA   C      C   13   175.3560   0.0000   .   1   .   .   .   .   A   5    ALA   C      .   30222   1
      50    .   1   1   5    5    ALA   CA     C   13   50.0370    0.0000   .   1   .   .   .   .   A   5    ALA   CA     .   30222   1
      51    .   1   1   5    5    ALA   CB     C   13   18.6530    0.0000   .   1   .   .   .   .   A   5    ALA   CB     .   30222   1
      52    .   1   1   5    5    ALA   N      N   15   125.6120   0.0000   .   1   .   .   .   .   A   5    ALA   N      .   30222   1
      53    .   1   1   6    6    ILE   H      H   1    9.0460     0.0000   .   1   .   .   .   .   A   6    ILE   H      .   30222   1
      54    .   1   1   6    6    ILE   HA     H   1    4.3540     0.0000   .   1   .   .   .   .   A   6    ILE   HA     .   30222   1
      55    .   1   1   6    6    ILE   HB     H   1    1.9250     0.0000   .   1   .   .   .   .   A   6    ILE   HB     .   30222   1
      56    .   1   1   6    6    ILE   HG12   H   1    1.4780     0.0000   .   2   .   .   .   .   A   6    ILE   HG12   .   30222   1
      57    .   1   1   6    6    ILE   HG13   H   1    1.1380     0.0000   .   2   .   .   .   .   A   6    ILE   HG13   .   30222   1
      58    .   1   1   6    6    ILE   HG21   H   1    0.8660     0.0000   .   1   .   .   .   .   A   6    ILE   HG21   .   30222   1
      59    .   1   1   6    6    ILE   HG22   H   1    0.8660     0.0000   .   1   .   .   .   .   A   6    ILE   HG22   .   30222   1
      60    .   1   1   6    6    ILE   HG23   H   1    0.8660     0.0000   .   1   .   .   .   .   A   6    ILE   HG23   .   30222   1
      61    .   1   1   6    6    ILE   HD11   H   1    0.8160     0.0000   .   1   .   .   .   .   A   6    ILE   HD11   .   30222   1
      62    .   1   1   6    6    ILE   HD12   H   1    0.8160     0.0000   .   1   .   .   .   .   A   6    ILE   HD12   .   30222   1
      63    .   1   1   6    6    ILE   HD13   H   1    0.8160     0.0000   .   1   .   .   .   .   A   6    ILE   HD13   .   30222   1
      64    .   1   1   6    6    ILE   C      C   13   174.4450   0.0000   .   1   .   .   .   .   A   6    ILE   C      .   30222   1
      65    .   1   1   6    6    ILE   CA     C   13   60.3270    0.0000   .   1   .   .   .   .   A   6    ILE   CA     .   30222   1
      66    .   1   1   6    6    ILE   CB     C   13   39.3170    0.0000   .   1   .   .   .   .   A   6    ILE   CB     .   30222   1
      67    .   1   1   6    6    ILE   CG1    C   13   27.6040    0.0000   .   1   .   .   .   .   A   6    ILE   CG1    .   30222   1
      68    .   1   1   6    6    ILE   CG2    C   13   17.1510    0.0000   .   1   .   .   .   .   A   6    ILE   CG2    .   30222   1
      69    .   1   1   6    6    ILE   CD1    C   13   12.9890    0.0000   .   1   .   .   .   .   A   6    ILE   CD1    .   30222   1
      70    .   1   1   6    6    ILE   N      N   15   122.9700   0.0000   .   1   .   .   .   .   A   6    ILE   N      .   30222   1
      71    .   1   1   7    7    ILE   H      H   1    8.6210     0.0000   .   1   .   .   .   .   A   7    ILE   H      .   30222   1
      72    .   1   1   7    7    ILE   HA     H   1    4.2120     0.0000   .   1   .   .   .   .   A   7    ILE   HA     .   30222   1
      73    .   1   1   7    7    ILE   HB     H   1    1.4820     0.0000   .   1   .   .   .   .   A   7    ILE   HB     .   30222   1
      74    .   1   1   7    7    ILE   HG12   H   1    1.2020     0.0000   .   2   .   .   .   .   A   7    ILE   HG12   .   30222   1
      75    .   1   1   7    7    ILE   HG13   H   1    0.7410     0.0000   .   2   .   .   .   .   A   7    ILE   HG13   .   30222   1
      76    .   1   1   7    7    ILE   HG21   H   1    0.3710     0.0000   .   1   .   .   .   .   A   7    ILE   HG21   .   30222   1
      77    .   1   1   7    7    ILE   HG22   H   1    0.3710     0.0000   .   1   .   .   .   .   A   7    ILE   HG22   .   30222   1
      78    .   1   1   7    7    ILE   HG23   H   1    0.3710     0.0000   .   1   .   .   .   .   A   7    ILE   HG23   .   30222   1
      79    .   1   1   7    7    ILE   HD11   H   1    0.0070     0.0000   .   1   .   .   .   .   A   7    ILE   HD11   .   30222   1
      80    .   1   1   7    7    ILE   HD12   H   1    0.0070     0.0000   .   1   .   .   .   .   A   7    ILE   HD12   .   30222   1
      81    .   1   1   7    7    ILE   HD13   H   1    0.0070     0.0000   .   1   .   .   .   .   A   7    ILE   HD13   .   30222   1
      82    .   1   1   7    7    ILE   C      C   13   174.7780   0.0000   .   1   .   .   .   .   A   7    ILE   C      .   30222   1
      83    .   1   1   7    7    ILE   CA     C   13   59.9650    0.0000   .   1   .   .   .   .   A   7    ILE   CA     .   30222   1
      84    .   1   1   7    7    ILE   CB     C   13   38.7410    0.0000   .   1   .   .   .   .   A   7    ILE   CB     .   30222   1
      85    .   1   1   7    7    ILE   CG1    C   13   27.3880    0.0000   .   1   .   .   .   .   A   7    ILE   CG1    .   30222   1
      86    .   1   1   7    7    ILE   CG2    C   13   17.8040    0.0000   .   1   .   .   .   .   A   7    ILE   CG2    .   30222   1
      87    .   1   1   7    7    ILE   CD1    C   13   13.6290    0.0000   .   1   .   .   .   .   A   7    ILE   CD1    .   30222   1
      88    .   1   1   7    7    ILE   N      N   15   126.0660   0.0000   .   1   .   .   .   .   A   7    ILE   N      .   30222   1
      89    .   1   1   8    8    ASN   H      H   1    8.8960     0.0000   .   1   .   .   .   .   A   8    ASN   H      .   30222   1
      90    .   1   1   8    8    ASN   HA     H   1    5.2430     0.0000   .   1   .   .   .   .   A   8    ASN   HA     .   30222   1
      91    .   1   1   8    8    ASN   HB2    H   1    2.9370     0.0000   .   2   .   .   .   .   A   8    ASN   HB2    .   30222   1
      92    .   1   1   8    8    ASN   HB3    H   1    2.5160     0.0000   .   2   .   .   .   .   A   8    ASN   HB3    .   30222   1
      93    .   1   1   8    8    ASN   HD21   H   1    7.2280     0.0000   .   2   .   .   .   .   A   8    ASN   HD21   .   30222   1
      94    .   1   1   8    8    ASN   HD22   H   1    6.8070     0.0000   .   2   .   .   .   .   A   8    ASN   HD22   .   30222   1
      95    .   1   1   8    8    ASN   C      C   13   175.4870   0.0000   .   1   .   .   .   .   A   8    ASN   C      .   30222   1
      96    .   1   1   8    8    ASN   CA     C   13   51.0410    0.0000   .   1   .   .   .   .   A   8    ASN   CA     .   30222   1
      97    .   1   1   8    8    ASN   CB     C   13   37.9840    0.0000   .   1   .   .   .   .   A   8    ASN   CB     .   30222   1
      98    .   1   1   8    8    ASN   N      N   15   128.8540   0.0000   .   1   .   .   .   .   A   8    ASN   N      .   30222   1
      99    .   1   1   8    8    ASN   ND2    N   15   111.3050   0.0000   .   1   .   .   .   .   A   8    ASN   ND2    .   30222   1
      100   .   1   1   9    9    GLY   H      H   1    7.8940     0.0000   .   1   .   .   .   .   A   9    GLY   H      .   30222   1
      101   .   1   1   9    9    GLY   HA2    H   1    4.5160     0.0000   .   2   .   .   .   .   A   9    GLY   HA2    .   30222   1
      102   .   1   1   9    9    GLY   HA3    H   1    4.1150     0.0000   .   2   .   .   .   .   A   9    GLY   HA3    .   30222   1
      103   .   1   1   9    9    GLY   C      C   13   173.7300   0.0000   .   1   .   .   .   .   A   9    GLY   C      .   30222   1
      104   .   1   1   9    9    GLY   CA     C   13   44.7800    0.0000   .   1   .   .   .   .   A   9    GLY   CA     .   30222   1
      105   .   1   1   9    9    GLY   N      N   15   110.1820   0.0000   .   1   .   .   .   .   A   9    GLY   N      .   30222   1
      106   .   1   1   10   10   LYS   H      H   1    9.2290     0.0000   .   1   .   .   .   .   A   10   LYS   H      .   30222   1
      107   .   1   1   10   10   LYS   HA     H   1    4.1130     0.0000   .   1   .   .   .   .   A   10   LYS   HA     .   30222   1
      108   .   1   1   10   10   LYS   HB2    H   1    1.8390     0.0000   .   2   .   .   .   .   A   10   LYS   HB2    .   30222   1
      109   .   1   1   10   10   LYS   HG2    H   1    1.4450     0.0000   .   2   .   .   .   .   A   10   LYS   HG2    .   30222   1
      110   .   1   1   10   10   LYS   HD2    H   1    1.6300     0.0000   .   2   .   .   .   .   A   10   LYS   HD2    .   30222   1
      111   .   1   1   10   10   LYS   HE2    H   1    2.9810     0.0000   .   2   .   .   .   .   A   10   LYS   HE2    .   30222   1
      112   .   1   1   10   10   LYS   C      C   13   178.8940   0.0000   .   1   .   .   .   .   A   10   LYS   C      .   30222   1
      113   .   1   1   10   10   LYS   CA     C   13   58.9590    0.0000   .   1   .   .   .   .   A   10   LYS   CA     .   30222   1
      114   .   1   1   10   10   LYS   CB     C   13   32.4530    0.0000   .   1   .   .   .   .   A   10   LYS   CB     .   30222   1
      115   .   1   1   10   10   LYS   CG     C   13   25.5880    0.0000   .   1   .   .   .   .   A   10   LYS   CG     .   30222   1
      116   .   1   1   10   10   LYS   CD     C   13   29.0730    0.0000   .   1   .   .   .   .   A   10   LYS   CD     .   30222   1
      117   .   1   1   10   10   LYS   CE     C   13   41.9300    0.0000   .   1   .   .   .   .   A   10   LYS   CE     .   30222   1
      118   .   1   1   10   10   LYS   N      N   15   120.7090   0.0000   .   1   .   .   .   .   A   10   LYS   N      .   30222   1
      119   .   1   1   11   11   THR   H      H   1    8.8250     0.0000   .   1   .   .   .   .   A   11   THR   H      .   30222   1
      120   .   1   1   11   11   THR   HA     H   1    4.3780     0.0000   .   1   .   .   .   .   A   11   THR   HA     .   30222   1
      121   .   1   1   11   11   THR   HB     H   1    4.2230     0.0000   .   1   .   .   .   .   A   11   THR   HB     .   30222   1
      122   .   1   1   11   11   THR   HG1    H   1    1.1450     0.0000   .   1   .   .   .   .   A   11   THR   HG1    .   30222   1
      123   .   1   1   11   11   THR   HG21   H   1    1.1990     0.0000   .   1   .   .   .   .   A   11   THR   HG21   .   30222   1
      124   .   1   1   11   11   THR   HG22   H   1    1.1990     0.0000   .   1   .   .   .   .   A   11   THR   HG22   .   30222   1
      125   .   1   1   11   11   THR   HG23   H   1    1.1990     0.0000   .   1   .   .   .   .   A   11   THR   HG23   .   30222   1
      126   .   1   1   11   11   THR   C      C   13   173.8810   0.0000   .   1   .   .   .   .   A   11   THR   C      .   30222   1
      127   .   1   1   11   11   THR   CA     C   13   62.0430    0.0000   .   1   .   .   .   .   A   11   THR   CA     .   30222   1
      128   .   1   1   11   11   THR   CB     C   13   69.7650    0.0000   .   1   .   .   .   .   A   11   THR   CB     .   30222   1
      129   .   1   1   11   11   THR   CG2    C   13   21.8190    0.0000   .   1   .   .   .   .   A   11   THR   CG2    .   30222   1
      130   .   1   1   11   11   THR   N      N   15   109.5140   0.0000   .   1   .   .   .   .   A   11   THR   N      .   30222   1
      131   .   1   1   12   12   LEU   H      H   1    7.6050     0.0000   .   1   .   .   .   .   A   12   LEU   H      .   30222   1
      132   .   1   1   12   12   LEU   HA     H   1    4.4640     0.0000   .   1   .   .   .   .   A   12   LEU   HA     .   30222   1
      133   .   1   1   12   12   LEU   HB2    H   1    1.5680     0.0000   .   2   .   .   .   .   A   12   LEU   HB2    .   30222   1
      134   .   1   1   12   12   LEU   HB3    H   1    1.4810     0.0000   .   2   .   .   .   .   A   12   LEU   HB3    .   30222   1
      135   .   1   1   12   12   LEU   HG     H   1    1.4390     0.0000   .   1   .   .   .   .   A   12   LEU   HG     .   30222   1
      136   .   1   1   12   12   LEU   HD11   H   1    0.8840     0.0000   .   2   .   .   .   .   A   12   LEU   HD11   .   30222   1
      137   .   1   1   12   12   LEU   HD12   H   1    0.8840     0.0000   .   2   .   .   .   .   A   12   LEU   HD12   .   30222   1
      138   .   1   1   12   12   LEU   HD13   H   1    0.8840     0.0000   .   2   .   .   .   .   A   12   LEU   HD13   .   30222   1
      139   .   1   1   12   12   LEU   C      C   13   173.7750   0.0000   .   1   .   .   .   .   A   12   LEU   C      .   30222   1
      140   .   1   1   12   12   LEU   CA     C   13   55.0260    0.0000   .   1   .   .   .   .   A   12   LEU   CA     .   30222   1
      141   .   1   1   12   12   LEU   CB     C   13   43.7990    0.0000   .   1   .   .   .   .   A   12   LEU   CB     .   30222   1
      142   .   1   1   12   12   LEU   CG     C   13   27.0680    0.0000   .   1   .   .   .   .   A   12   LEU   CG     .   30222   1
      143   .   1   1   12   12   LEU   CD1    C   13   24.5830    0.0000   .   2   .   .   .   .   A   12   LEU   CD1    .   30222   1
      144   .   1   1   12   12   LEU   N      N   15   125.0570   0.0000   .   1   .   .   .   .   A   12   LEU   N      .   30222   1
      145   .   1   1   13   13   LYS   H      H   1    8.0680     0.0000   .   1   .   .   .   .   A   13   LYS   H      .   30222   1
      146   .   1   1   13   13   LYS   HA     H   1    5.1520     0.0000   .   1   .   .   .   .   A   13   LYS   HA     .   30222   1
      147   .   1   1   13   13   LYS   HB2    H   1    1.9250     0.0000   .   2   .   .   .   .   A   13   LYS   HB2    .   30222   1
      148   .   1   1   13   13   LYS   HB3    H   1    1.7610     0.0000   .   2   .   .   .   .   A   13   LYS   HB3    .   30222   1
      149   .   1   1   13   13   LYS   HG2    H   1    1.4580     0.0000   .   2   .   .   .   .   A   13   LYS   HG2    .   30222   1
      150   .   1   1   13   13   LYS   HD2    H   1    1.7870     0.0000   .   2   .   .   .   .   A   13   LYS   HD2    .   30222   1
      151   .   1   1   13   13   LYS   HD3    H   1    1.6960     0.0000   .   2   .   .   .   .   A   13   LYS   HD3    .   30222   1
      152   .   1   1   13   13   LYS   HE2    H   1    3.0140     0.0000   .   2   .   .   .   .   A   13   LYS   HE2    .   30222   1
      153   .   1   1   13   13   LYS   HE3    H   1    2.9350     0.0000   .   2   .   .   .   .   A   13   LYS   HE3    .   30222   1
      154   .   1   1   13   13   LYS   C      C   13   176.3290   0.0000   .   1   .   .   .   .   A   13   LYS   C      .   30222   1
      155   .   1   1   13   13   LYS   CA     C   13   53.8630    0.0000   .   1   .   .   .   .   A   13   LYS   CA     .   30222   1
      156   .   1   1   13   13   LYS   CB     C   13   35.2940    0.0000   .   1   .   .   .   .   A   13   LYS   CB     .   30222   1
      157   .   1   1   13   13   LYS   CG     C   13   25.1800    0.0000   .   1   .   .   .   .   A   13   LYS   CG     .   30222   1
      158   .   1   1   13   13   LYS   CD     C   13   29.0890    0.0000   .   1   .   .   .   .   A   13   LYS   CD     .   30222   1
      159   .   1   1   13   13   LYS   CE     C   13   42.3780    0.0000   .   1   .   .   .   .   A   13   LYS   CE     .   30222   1
      160   .   1   1   13   13   LYS   N      N   15   122.2820   0.0000   .   1   .   .   .   .   A   13   LYS   N      .   30222   1
      161   .   1   1   14   14   GLY   H      H   1    8.3470     0.0000   .   1   .   .   .   .   A   14   GLY   H      .   30222   1
      162   .   1   1   14   14   GLY   HA2    H   1    4.1980     0.0000   .   2   .   .   .   .   A   14   GLY   HA2    .   30222   1
      163   .   1   1   14   14   GLY   HA3    H   1    3.7750     0.0000   .   2   .   .   .   .   A   14   GLY   HA3    .   30222   1
      164   .   1   1   14   14   GLY   C      C   13   171.6010   0.0000   .   1   .   .   .   .   A   14   GLY   C      .   30222   1
      165   .   1   1   14   14   GLY   CA     C   13   45.0890    0.0000   .   1   .   .   .   .   A   14   GLY   CA     .   30222   1
      166   .   1   1   14   14   GLY   N      N   15   109.5810   0.0000   .   1   .   .   .   .   A   14   GLY   N      .   30222   1
      167   .   1   1   15   15   GLU   H      H   1    8.4430     0.0000   .   1   .   .   .   .   A   15   GLU   H      .   30222   1
      168   .   1   1   15   15   GLU   HA     H   1    5.5430     0.0000   .   1   .   .   .   .   A   15   GLU   HA     .   30222   1
      169   .   1   1   15   15   GLU   HB2    H   1    2.0880     0.0000   .   2   .   .   .   .   A   15   GLU   HB2    .   30222   1
      170   .   1   1   15   15   GLU   HG2    H   1    2.1800     0.0000   .   2   .   .   .   .   A   15   GLU   HG2    .   30222   1
      171   .   1   1   15   15   GLU   C      C   13   174.8010   0.0000   .   1   .   .   .   .   A   15   GLU   C      .   30222   1
      172   .   1   1   15   15   GLU   CA     C   13   54.9390    0.0000   .   1   .   .   .   .   A   15   GLU   CA     .   30222   1
      173   .   1   1   15   15   GLU   CB     C   13   33.6340    0.0000   .   1   .   .   .   .   A   15   GLU   CB     .   30222   1
      174   .   1   1   15   15   GLU   CG     C   13   36.1540    0.0000   .   1   .   .   .   .   A   15   GLU   CG     .   30222   1
      175   .   1   1   15   15   GLU   N      N   15   119.0870   0.0000   .   1   .   .   .   .   A   15   GLU   N      .   30222   1
      176   .   1   1   16   16   THR   H      H   1    8.8390     0.0000   .   1   .   .   .   .   A   16   THR   H      .   30222   1
      177   .   1   1   16   16   THR   HA     H   1    4.8150     0.0000   .   1   .   .   .   .   A   16   THR   HA     .   30222   1
      178   .   1   1   16   16   THR   HB     H   1    4.2250     0.0000   .   1   .   .   .   .   A   16   THR   HB     .   30222   1
      179   .   1   1   16   16   THR   HG21   H   1    1.2110     0.0000   .   1   .   .   .   .   A   16   THR   HG21   .   30222   1
      180   .   1   1   16   16   THR   HG22   H   1    1.2110     0.0000   .   1   .   .   .   .   A   16   THR   HG22   .   30222   1
      181   .   1   1   16   16   THR   HG23   H   1    1.2110     0.0000   .   1   .   .   .   .   A   16   THR   HG23   .   30222   1
      182   .   1   1   16   16   THR   C      C   13   172.0150   0.0000   .   1   .   .   .   .   A   16   THR   C      .   30222   1
      183   .   1   1   16   16   THR   CA     C   13   60.8810    0.0000   .   1   .   .   .   .   A   16   THR   CA     .   30222   1
      184   .   1   1   16   16   THR   CB     C   13   69.7860    0.0000   .   1   .   .   .   .   A   16   THR   CB     .   30222   1
      185   .   1   1   16   16   THR   CG2    C   13   21.6920    0.0000   .   1   .   .   .   .   A   16   THR   CG2    .   30222   1
      186   .   1   1   16   16   THR   N      N   15   116.7310   0.0000   .   1   .   .   .   .   A   16   THR   N      .   30222   1
      187   .   1   1   17   17   THR   H      H   1    7.9950     0.0000   .   1   .   .   .   .   A   17   THR   H      .   30222   1
      188   .   1   1   17   17   THR   HA     H   1    5.9320     0.0000   .   1   .   .   .   .   A   17   THR   HA     .   30222   1
      189   .   1   1   17   17   THR   HB     H   1    4.3430     0.0000   .   1   .   .   .   .   A   17   THR   HB     .   30222   1
      190   .   1   1   17   17   THR   HG21   H   1    1.2350     0.0000   .   1   .   .   .   .   A   17   THR   HG21   .   30222   1
      191   .   1   1   17   17   THR   HG22   H   1    1.2350     0.0000   .   1   .   .   .   .   A   17   THR   HG22   .   30222   1
      192   .   1   1   17   17   THR   HG23   H   1    1.2350     0.0000   .   1   .   .   .   .   A   17   THR   HG23   .   30222   1
      193   .   1   1   17   17   THR   C      C   13   174.0300   0.0000   .   1   .   .   .   .   A   17   THR   C      .   30222   1
      194   .   1   1   17   17   THR   CA     C   13   59.9460    0.0000   .   1   .   .   .   .   A   17   THR   CA     .   30222   1
      195   .   1   1   17   17   THR   CB     C   13   73.0640    0.0000   .   1   .   .   .   .   A   17   THR   CB     .   30222   1
      196   .   1   1   17   17   THR   CG2    C   13   21.3840    0.0000   .   1   .   .   .   .   A   17   THR   CG2    .   30222   1
      197   .   1   1   17   17   THR   N      N   15   113.3300   0.0000   .   1   .   .   .   .   A   17   THR   N      .   30222   1
      198   .   1   1   18   18   THR   H      H   1    9.0240     0.0000   .   1   .   .   .   .   A   18   THR   H      .   30222   1
      199   .   1   1   18   18   THR   HA     H   1    4.6430     0.0000   .   1   .   .   .   .   A   18   THR   HA     .   30222   1
      200   .   1   1   18   18   THR   HB     H   1    3.8040     0.0000   .   1   .   .   .   .   A   18   THR   HB     .   30222   1
      201   .   1   1   18   18   THR   HG21   H   1    0.4620     0.0000   .   1   .   .   .   .   A   18   THR   HG21   .   30222   1
      202   .   1   1   18   18   THR   HG22   H   1    0.4620     0.0000   .   1   .   .   .   .   A   18   THR   HG22   .   30222   1
      203   .   1   1   18   18   THR   HG23   H   1    0.4620     0.0000   .   1   .   .   .   .   A   18   THR   HG23   .   30222   1
      204   .   1   1   18   18   THR   C      C   13   171.0730   0.0000   .   1   .   .   .   .   A   18   THR   C      .   30222   1
      205   .   1   1   18   18   THR   CA     C   13   62.1970    0.0000   .   1   .   .   .   .   A   18   THR   CA     .   30222   1
      206   .   1   1   18   18   THR   CB     C   13   69.8420    0.0000   .   1   .   .   .   .   A   18   THR   CB     .   30222   1
      207   .   1   1   18   18   THR   CG2    C   13   18.3860    0.0000   .   1   .   .   .   .   A   18   THR   CG2    .   30222   1
      208   .   1   1   18   18   THR   N      N   15   115.4430   0.0000   .   1   .   .   .   .   A   18   THR   N      .   30222   1
      209   .   1   1   19   19   GLU   H      H   1    7.9500     0.0000   .   1   .   .   .   .   A   19   GLU   H      .   30222   1
      210   .   1   1   19   19   GLU   HA     H   1    5.5030     0.0000   .   1   .   .   .   .   A   19   GLU   HA     .   30222   1
      211   .   1   1   19   19   GLU   HB2    H   1    1.8720     0.0000   .   2   .   .   .   .   A   19   GLU   HB2    .   30222   1
      212   .   1   1   19   19   GLU   HG2    H   1    2.1070     0.0000   .   2   .   .   .   .   A   19   GLU   HG2    .   30222   1
      213   .   1   1   19   19   GLU   C      C   13   176.2460   0.0000   .   1   .   .   .   .   A   19   GLU   C      .   30222   1
      214   .   1   1   19   19   GLU   CA     C   13   54.7340    0.0000   .   1   .   .   .   .   A   19   GLU   CA     .   30222   1
      215   .   1   1   19   19   GLU   CB     C   13   31.1750    0.0000   .   1   .   .   .   .   A   19   GLU   CB     .   30222   1
      216   .   1   1   19   19   GLU   CG     C   13   36.5210    0.0000   .   1   .   .   .   .   A   19   GLU   CG     .   30222   1
      217   .   1   1   19   19   GLU   N      N   15   124.5530   0.0000   .   1   .   .   .   .   A   19   GLU   N      .   30222   1
      218   .   1   1   20   20   ALA   H      H   1    9.3420     0.0000   .   1   .   .   .   .   A   20   ALA   H      .   30222   1
      219   .   1   1   20   20   ALA   HA     H   1    4.9090     0.0000   .   1   .   .   .   .   A   20   ALA   HA     .   30222   1
      220   .   1   1   20   20   ALA   HB1    H   1    1.3130     0.0000   .   1   .   .   .   .   A   20   ALA   HB1    .   30222   1
      221   .   1   1   20   20   ALA   HB2    H   1    1.3130     0.0000   .   1   .   .   .   .   A   20   ALA   HB2    .   30222   1
      222   .   1   1   20   20   ALA   HB3    H   1    1.3130     0.0000   .   1   .   .   .   .   A   20   ALA   HB3    .   30222   1
      223   .   1   1   20   20   ALA   C      C   13   177.3280   0.0000   .   1   .   .   .   .   A   20   ALA   C      .   30222   1
      224   .   1   1   20   20   ALA   CA     C   13   50.9390    0.0000   .   1   .   .   .   .   A   20   ALA   CA     .   30222   1
      225   .   1   1   20   20   ALA   CB     C   13   23.3790    0.0000   .   1   .   .   .   .   A   20   ALA   CB     .   30222   1
      226   .   1   1   20   20   ALA   N      N   15   125.2760   0.0000   .   1   .   .   .   .   A   20   ALA   N      .   30222   1
      227   .   1   1   21   21   VAL   H      H   1    8.4590     0.0000   .   1   .   .   .   .   A   21   VAL   H      .   30222   1
      228   .   1   1   21   21   VAL   HA     H   1    4.1600     0.0000   .   1   .   .   .   .   A   21   VAL   HA     .   30222   1
      229   .   1   1   21   21   VAL   HB     H   1    2.1680     0.0000   .   1   .   .   .   .   A   21   VAL   HB     .   30222   1
      230   .   1   1   21   21   VAL   HG11   H   1    0.9670     0.0000   .   2   .   .   .   .   A   21   VAL   HG11   .   30222   1
      231   .   1   1   21   21   VAL   HG12   H   1    0.9670     0.0000   .   2   .   .   .   .   A   21   VAL   HG12   .   30222   1
      232   .   1   1   21   21   VAL   HG13   H   1    0.9670     0.0000   .   2   .   .   .   .   A   21   VAL   HG13   .   30222   1
      233   .   1   1   21   21   VAL   HG21   H   1    0.9670     0.0000   .   2   .   .   .   .   A   21   VAL   HG21   .   30222   1
      234   .   1   1   21   21   VAL   HG22   H   1    0.9670     0.0000   .   2   .   .   .   .   A   21   VAL   HG22   .   30222   1
      235   .   1   1   21   21   VAL   HG23   H   1    0.9670     0.0000   .   2   .   .   .   .   A   21   VAL   HG23   .   30222   1
      236   .   1   1   21   21   VAL   C      C   13   174.7780   0.0000   .   1   .   .   .   .   A   21   VAL   C      .   30222   1
      237   .   1   1   21   21   VAL   CA     C   13   63.7100    0.0000   .   1   .   .   .   .   A   21   VAL   CA     .   30222   1
      238   .   1   1   21   21   VAL   CB     C   13   32.0810    0.0000   .   1   .   .   .   .   A   21   VAL   CB     .   30222   1
      239   .   1   1   21   21   VAL   CG1    C   13   20.0880    0.0000   .   2   .   .   .   .   A   21   VAL   CG1    .   30222   1
      240   .   1   1   21   21   VAL   CG2    C   13   20.9280    0.0000   .   2   .   .   .   .   A   21   VAL   CG2    .   30222   1
      241   .   1   1   21   21   VAL   N      N   15   114.2730   0.0000   .   1   .   .   .   .   A   21   VAL   N      .   30222   1
      242   .   1   1   22   22   ASP   H      H   1    7.2510     0.0000   .   1   .   .   .   .   A   22   ASP   H      .   30222   1
      243   .   1   1   22   22   ASP   HA     H   1    4.6720     0.0000   .   1   .   .   .   .   A   22   ASP   HA     .   30222   1
      244   .   1   1   22   22   ASP   HB2    H   1    3.0490     0.0000   .   2   .   .   .   .   A   22   ASP   HB2    .   30222   1
      245   .   1   1   22   22   ASP   C      C   13   174.2330   0.0000   .   1   .   .   .   .   A   22   ASP   C      .   30222   1
      246   .   1   1   22   22   ASP   CA     C   13   52.5450    0.0000   .   1   .   .   .   .   A   22   ASP   CA     .   30222   1
      247   .   1   1   22   22   ASP   CB     C   13   42.3370    0.0000   .   1   .   .   .   .   A   22   ASP   CB     .   30222   1
      248   .   1   1   22   22   ASP   N      N   15   113.5010   0.0000   .   1   .   .   .   .   A   22   ASP   N      .   30222   1
      249   .   1   1   23   23   ALA   H      H   1    8.6490     0.0000   .   1   .   .   .   .   A   23   ALA   H      .   30222   1
      250   .   1   1   23   23   ALA   HA     H   1    3.1520     0.0000   .   1   .   .   .   .   A   23   ALA   HA     .   30222   1
      251   .   1   1   23   23   ALA   HB1    H   1    1.1410     0.0000   .   1   .   .   .   .   A   23   ALA   HB1    .   30222   1
      252   .   1   1   23   23   ALA   HB2    H   1    1.1410     0.0000   .   1   .   .   .   .   A   23   ALA   HB2    .   30222   1
      253   .   1   1   23   23   ALA   HB3    H   1    1.1410     0.0000   .   1   .   .   .   .   A   23   ALA   HB3    .   30222   1
      254   .   1   1   23   23   ALA   C      C   13   179.0580   0.0000   .   1   .   .   .   .   A   23   ALA   C      .   30222   1
      255   .   1   1   23   23   ALA   CA     C   13   54.7700    0.0000   .   1   .   .   .   .   A   23   ALA   CA     .   30222   1
      256   .   1   1   23   23   ALA   CB     C   13   17.6090    0.0000   .   1   .   .   .   .   A   23   ALA   CB     .   30222   1
      257   .   1   1   23   23   ALA   N      N   15   121.9770   0.0000   .   1   .   .   .   .   A   23   ALA   N      .   30222   1
      258   .   1   1   24   24   ALA   H      H   1    8.1130     0.0000   .   1   .   .   .   .   A   24   ALA   H      .   30222   1
      259   .   1   1   24   24   ALA   HA     H   1    3.9960     0.0000   .   1   .   .   .   .   A   24   ALA   HA     .   30222   1
      260   .   1   1   24   24   ALA   HB1    H   1    1.3010     0.0000   .   1   .   .   .   .   A   24   ALA   HB1    .   30222   1
      261   .   1   1   24   24   ALA   HB2    H   1    1.3010     0.0000   .   1   .   .   .   .   A   24   ALA   HB2    .   30222   1
      262   .   1   1   24   24   ALA   HB3    H   1    1.3010     0.0000   .   1   .   .   .   .   A   24   ALA   HB3    .   30222   1
      263   .   1   1   24   24   ALA   C      C   13   180.9200   0.0000   .   1   .   .   .   .   A   24   ALA   C      .   30222   1
      264   .   1   1   24   24   ALA   CA     C   13   54.8080    0.0000   .   1   .   .   .   .   A   24   ALA   CA     .   30222   1
      265   .   1   1   24   24   ALA   CB     C   13   17.9300    0.0000   .   1   .   .   .   .   A   24   ALA   CB     .   30222   1
      266   .   1   1   24   24   ALA   N      N   15   120.7730   0.0000   .   1   .   .   .   .   A   24   ALA   N      .   30222   1
      267   .   1   1   25   25   THR   H      H   1    8.2900     0.0000   .   1   .   .   .   .   A   25   THR   H      .   30222   1
      268   .   1   1   25   25   THR   HA     H   1    3.7170     0.0000   .   1   .   .   .   .   A   25   THR   HA     .   30222   1
      269   .   1   1   25   25   THR   HB     H   1    4.0290     0.0000   .   1   .   .   .   .   A   25   THR   HB     .   30222   1
      270   .   1   1   25   25   THR   HG21   H   1    1.2290     0.0000   .   1   .   .   .   .   A   25   THR   HG21   .   30222   1
      271   .   1   1   25   25   THR   HG22   H   1    1.2290     0.0000   .   1   .   .   .   .   A   25   THR   HG22   .   30222   1
      272   .   1   1   25   25   THR   HG23   H   1    1.2290     0.0000   .   1   .   .   .   .   A   25   THR   HG23   .   30222   1
      273   .   1   1   25   25   THR   C      C   13   175.9890   0.0000   .   1   .   .   .   .   A   25   THR   C      .   30222   1
      274   .   1   1   25   25   THR   CA     C   13   66.7570    0.0000   .   1   .   .   .   .   A   25   THR   CA     .   30222   1
      275   .   1   1   25   25   THR   CB     C   13   67.8610    0.0000   .   1   .   .   .   .   A   25   THR   CB     .   30222   1
      276   .   1   1   25   25   THR   CG2    C   13   21.1300    0.0000   .   1   .   .   .   .   A   25   THR   CG2    .   30222   1
      277   .   1   1   25   25   THR   N      N   15   116.2370   0.0000   .   1   .   .   .   .   A   25   THR   N      .   30222   1
      278   .   1   1   26   26   ALA   H      H   1    7.3520     0.0000   .   1   .   .   .   .   A   26   ALA   H      .   30222   1
      279   .   1   1   26   26   ALA   HA     H   1    3.1130     0.0000   .   1   .   .   .   .   A   26   ALA   HA     .   30222   1
      280   .   1   1   26   26   ALA   HB1    H   1    0.5590     0.0000   .   1   .   .   .   .   A   26   ALA   HB1    .   30222   1
      281   .   1   1   26   26   ALA   HB2    H   1    0.5590     0.0000   .   1   .   .   .   .   A   26   ALA   HB2    .   30222   1
      282   .   1   1   26   26   ALA   HB3    H   1    0.5590     0.0000   .   1   .   .   .   .   A   26   ALA   HB3    .   30222   1
      283   .   1   1   26   26   ALA   C      C   13   177.1100   0.0000   .   1   .   .   .   .   A   26   ALA   C      .   30222   1
      284   .   1   1   26   26   ALA   CA     C   13   54.9000    0.0000   .   1   .   .   .   .   A   26   ALA   CA     .   30222   1
      285   .   1   1   26   26   ALA   CB     C   13   17.5210    0.0000   .   1   .   .   .   .   A   26   ALA   CB     .   30222   1
      286   .   1   1   26   26   ALA   N      N   15   123.6890   0.0000   .   1   .   .   .   .   A   26   ALA   N      .   30222   1
      287   .   1   1   27   27   GLU   H      H   1    8.3630     0.0000   .   1   .   .   .   .   A   27   GLU   H      .   30222   1
      288   .   1   1   27   27   GLU   HA     H   1    2.8010     0.0000   .   1   .   .   .   .   A   27   GLU   HA     .   30222   1
      289   .   1   1   27   27   GLU   HB2    H   1    2.0190     0.0000   .   2   .   .   .   .   A   27   GLU   HB2    .   30222   1
      290   .   1   1   27   27   GLU   HB3    H   1    1.8410     0.0000   .   2   .   .   .   .   A   27   GLU   HB3    .   30222   1
      291   .   1   1   27   27   GLU   HG2    H   1    1.6160     0.0000   .   2   .   .   .   .   A   27   GLU   HG2    .   30222   1
      292   .   1   1   27   27   GLU   C      C   13   177.2720   0.0000   .   1   .   .   .   .   A   27   GLU   C      .   30222   1
      293   .   1   1   27   27   GLU   CA     C   13   59.6920    0.0000   .   1   .   .   .   .   A   27   GLU   CA     .   30222   1
      294   .   1   1   27   27   GLU   CB     C   13   29.4600    0.0000   .   1   .   .   .   .   A   27   GLU   CB     .   30222   1
      295   .   1   1   27   27   GLU   CG     C   13   35.8080    0.0000   .   1   .   .   .   .   A   27   GLU   CG     .   30222   1
      296   .   1   1   27   27   GLU   N      N   15   116.6230   0.0000   .   1   .   .   .   .   A   27   GLU   N      .   30222   1
      297   .   1   1   28   28   LYS   H      H   1    6.9070     0.0000   .   1   .   .   .   .   A   28   LYS   H      .   30222   1
      298   .   1   1   28   28   LYS   HA     H   1    3.7270     0.0000   .   1   .   .   .   .   A   28   LYS   HA     .   30222   1
      299   .   1   1   28   28   LYS   HB2    H   1    1.8390     0.0000   .   2   .   .   .   .   A   28   LYS   HB2    .   30222   1
      300   .   1   1   28   28   LYS   HG2    H   1    1.5410     0.0000   .   2   .   .   .   .   A   28   LYS   HG2    .   30222   1
      301   .   1   1   28   28   LYS   HG3    H   1    1.3340     0.0000   .   2   .   .   .   .   A   28   LYS   HG3    .   30222   1
      302   .   1   1   28   28   LYS   HD2    H   1    1.6220     0.0000   .   2   .   .   .   .   A   28   LYS   HD2    .   30222   1
      303   .   1   1   28   28   LYS   HE2    H   1    2.8940     0.0000   .   2   .   .   .   .   A   28   LYS   HE2    .   30222   1
      304   .   1   1   28   28   LYS   C      C   13   179.7200   0.0000   .   1   .   .   .   .   A   28   LYS   C      .   30222   1
      305   .   1   1   28   28   LYS   CA     C   13   59.4170    0.0000   .   1   .   .   .   .   A   28   LYS   CA     .   30222   1
      306   .   1   1   28   28   LYS   CB     C   13   32.2530    0.0000   .   1   .   .   .   .   A   28   LYS   CB     .   30222   1
      307   .   1   1   28   28   LYS   CG     C   13   25.1270    0.0000   .   1   .   .   .   .   A   28   LYS   CG     .   30222   1
      308   .   1   1   28   28   LYS   CD     C   13   29.1700    0.0000   .   1   .   .   .   .   A   28   LYS   CD     .   30222   1
      309   .   1   1   28   28   LYS   CE     C   13   41.8430    0.0000   .   1   .   .   .   .   A   28   LYS   CE     .   30222   1
      310   .   1   1   28   28   LYS   N      N   15   116.4760   0.0000   .   1   .   .   .   .   A   28   LYS   N      .   30222   1
      311   .   1   1   29   29   VAL   H      H   1    7.4440     0.0000   .   1   .   .   .   .   A   29   VAL   H      .   30222   1
      312   .   1   1   29   29   VAL   HA     H   1    3.5630     0.0000   .   1   .   .   .   .   A   29   VAL   HA     .   30222   1
      313   .   1   1   29   29   VAL   HB     H   1    1.7270     0.0000   .   1   .   .   .   .   A   29   VAL   HB     .   30222   1
      314   .   1   1   29   29   VAL   HG11   H   1    0.8730     0.0000   .   2   .   .   .   .   A   29   VAL   HG11   .   30222   1
      315   .   1   1   29   29   VAL   HG12   H   1    0.8730     0.0000   .   2   .   .   .   .   A   29   VAL   HG12   .   30222   1
      316   .   1   1   29   29   VAL   HG13   H   1    0.8730     0.0000   .   2   .   .   .   .   A   29   VAL   HG13   .   30222   1
      317   .   1   1   29   29   VAL   HG21   H   1    0.7140     0.0000   .   2   .   .   .   .   A   29   VAL   HG21   .   30222   1
      318   .   1   1   29   29   VAL   HG22   H   1    0.7140     0.0000   .   2   .   .   .   .   A   29   VAL   HG22   .   30222   1
      319   .   1   1   29   29   VAL   HG23   H   1    0.7140     0.0000   .   2   .   .   .   .   A   29   VAL   HG23   .   30222   1
      320   .   1   1   29   29   VAL   C      C   13   179.7860   0.0000   .   1   .   .   .   .   A   29   VAL   C      .   30222   1
      321   .   1   1   29   29   VAL   CA     C   13   66.2070    0.0000   .   1   .   .   .   .   A   29   VAL   CA     .   30222   1
      322   .   1   1   29   29   VAL   CB     C   13   31.5470    0.0000   .   1   .   .   .   .   A   29   VAL   CB     .   30222   1
      323   .   1   1   29   29   VAL   CG1    C   13   21.8060    0.0000   .   2   .   .   .   .   A   29   VAL   CG1    .   30222   1
      324   .   1   1   29   29   VAL   CG2    C   13   20.4710    0.0000   .   2   .   .   .   .   A   29   VAL   CG2    .   30222   1
      325   .   1   1   29   29   VAL   N      N   15   120.9040   0.0000   .   1   .   .   .   .   A   29   VAL   N      .   30222   1
      326   .   1   1   30   30   PHE   H      H   1    8.4530     0.0000   .   1   .   .   .   .   A   30   PHE   H      .   30222   1
      327   .   1   1   30   30   PHE   HA     H   1    4.5870     0.0000   .   1   .   .   .   .   A   30   PHE   HA     .   30222   1
      328   .   1   1   30   30   PHE   HB2    H   1    2.6640     0.0000   .   2   .   .   .   .   A   30   PHE   HB2    .   30222   1
      329   .   1   1   30   30   PHE   HD1    H   1    6.5770     0.0000   .   3   .   .   .   .   A   30   PHE   HD1    .   30222   1
      330   .   1   1   30   30   PHE   HE1    H   1    7.0650     0.0000   .   3   .   .   .   .   A   30   PHE   HE1    .   30222   1
      331   .   1   1   30   30   PHE   C      C   13   177.8760   0.0000   .   1   .   .   .   .   A   30   PHE   C      .   30222   1
      332   .   1   1   30   30   PHE   CA     C   13   58.1550    0.0000   .   1   .   .   .   .   A   30   PHE   CA     .   30222   1
      333   .   1   1   30   30   PHE   CB     C   13   37.9360    0.0000   .   1   .   .   .   .   A   30   PHE   CB     .   30222   1
      334   .   1   1   30   30   PHE   CD1    C   13   130.6870   0.0000   .   3   .   .   .   .   A   30   PHE   CD1    .   30222   1
      335   .   1   1   30   30   PHE   CE1    C   13   130.4150   0.0000   .   3   .   .   .   .   A   30   PHE   CE1    .   30222   1
      336   .   1   1   30   30   PHE   N      N   15   119.8810   0.0000   .   1   .   .   .   .   A   30   PHE   N      .   30222   1
      337   .   1   1   31   31   LYS   H      H   1    9.0230     0.0000   .   1   .   .   .   .   A   31   LYS   H      .   30222   1
      338   .   1   1   31   31   LYS   HA     H   1    4.0340     0.0000   .   1   .   .   .   .   A   31   LYS   HA     .   30222   1
      339   .   1   1   31   31   LYS   HB2    H   1    1.7050     0.0000   .   2   .   .   .   .   A   31   LYS   HB2    .   30222   1
      340   .   1   1   31   31   LYS   HB3    H   1    1.6180     0.0000   .   2   .   .   .   .   A   31   LYS   HB3    .   30222   1
      341   .   1   1   31   31   LYS   HG2    H   1    0.9470     0.0000   .   2   .   .   .   .   A   31   LYS   HG2    .   30222   1
      342   .   1   1   31   31   LYS   HG3    H   1    0.7560     0.0000   .   2   .   .   .   .   A   31   LYS   HG3    .   30222   1
      343   .   1   1   31   31   LYS   HD2    H   1    1.2270     0.0000   .   2   .   .   .   .   A   31   LYS   HD2    .   30222   1
      344   .   1   1   31   31   LYS   HD3    H   1    1.1670     0.0000   .   2   .   .   .   .   A   31   LYS   HD3    .   30222   1
      345   .   1   1   31   31   LYS   HE2    H   1    2.0550     0.0000   .   2   .   .   .   .   A   31   LYS   HE2    .   30222   1
      346   .   1   1   31   31   LYS   HE3    H   1    1.9510     0.0000   .   2   .   .   .   .   A   31   LYS   HE3    .   30222   1
      347   .   1   1   31   31   LYS   C      C   13   179.1790   0.0000   .   1   .   .   .   .   A   31   LYS   C      .   30222   1
      348   .   1   1   31   31   LYS   CA     C   13   60.2130    0.0000   .   1   .   .   .   .   A   31   LYS   CA     .   30222   1
      349   .   1   1   31   31   LYS   CB     C   13   31.9690    0.0000   .   1   .   .   .   .   A   31   LYS   CB     .   30222   1
      350   .   1   1   31   31   LYS   CG     C   13   26.2080    0.0000   .   1   .   .   .   .   A   31   LYS   CG     .   30222   1
      351   .   1   1   31   31   LYS   CD     C   13   29.1680    0.0000   .   1   .   .   .   .   A   31   LYS   CD     .   30222   1
      352   .   1   1   31   31   LYS   CE     C   13   41.2120    0.0000   .   1   .   .   .   .   A   31   LYS   CE     .   30222   1
      353   .   1   1   31   31   LYS   N      N   15   121.0170   0.0000   .   1   .   .   .   .   A   31   LYS   N      .   30222   1
      354   .   1   1   32   32   GLN   H      H   1    7.5120     0.0000   .   1   .   .   .   .   A   32   GLN   H      .   30222   1
      355   .   1   1   32   32   GLN   HA     H   1    4.0420     0.0000   .   1   .   .   .   .   A   32   GLN   HA     .   30222   1
      356   .   1   1   32   32   GLN   HB2    H   1    2.2020     0.0000   .   2   .   .   .   .   A   32   GLN   HB2    .   30222   1
      357   .   1   1   32   32   GLN   HG2    H   1    2.4090     0.0000   .   2   .   .   .   .   A   32   GLN   HG2    .   30222   1
      358   .   1   1   32   32   GLN   HE21   H   1    7.8710     0.0000   .   2   .   .   .   .   A   32   GLN   HE21   .   30222   1
      359   .   1   1   32   32   GLN   HE22   H   1    6.8540     0.0000   .   2   .   .   .   .   A   32   GLN   HE22   .   30222   1
      360   .   1   1   32   32   GLN   C      C   13   177.1700   0.0000   .   1   .   .   .   .   A   32   GLN   C      .   30222   1
      361   .   1   1   32   32   GLN   CA     C   13   58.6560    0.0000   .   1   .   .   .   .   A   32   GLN   CA     .   30222   1
      362   .   1   1   32   32   GLN   CB     C   13   28.2120    0.0000   .   1   .   .   .   .   A   32   GLN   CB     .   30222   1
      363   .   1   1   32   32   GLN   CG     C   13   33.5630    0.0000   .   1   .   .   .   .   A   32   GLN   CG     .   30222   1
      364   .   1   1   32   32   GLN   N      N   15   118.6180   0.0000   .   1   .   .   .   .   A   32   GLN   N      .   30222   1
      365   .   1   1   32   32   GLN   NE2    N   15   114.8380   0.0000   .   1   .   .   .   .   A   32   GLN   NE2    .   30222   1
      366   .   1   1   33   33   TYR   H      H   1    7.9290     0.0000   .   1   .   .   .   .   A   33   TYR   H      .   30222   1
      367   .   1   1   33   33   TYR   HA     H   1    4.3000     0.0000   .   1   .   .   .   .   A   33   TYR   HA     .   30222   1
      368   .   1   1   33   33   TYR   HB2    H   1    3.2370     0.0000   .   2   .   .   .   .   A   33   TYR   HB2    .   30222   1
      369   .   1   1   33   33   TYR   HD1    H   1    6.7200     0.0000   .   3   .   .   .   .   A   33   TYR   HD1    .   30222   1
      370   .   1   1   33   33   TYR   HE1    H   1    6.6110     0.0000   .   3   .   .   .   .   A   33   TYR   HE1    .   30222   1
      371   .   1   1   33   33   TYR   C      C   13   178.7450   0.0000   .   1   .   .   .   .   A   33   TYR   C      .   30222   1
      372   .   1   1   33   33   TYR   CA     C   13   61.5070    0.0000   .   1   .   .   .   .   A   33   TYR   CA     .   30222   1
      373   .   1   1   33   33   TYR   CB     C   13   38.1400    0.0000   .   1   .   .   .   .   A   33   TYR   CB     .   30222   1
      374   .   1   1   33   33   TYR   CD1    C   13   132.9160   0.0000   .   3   .   .   .   .   A   33   TYR   CD1    .   30222   1
      375   .   1   1   33   33   TYR   CE1    C   13   118.0710   0.0000   .   3   .   .   .   .   A   33   TYR   CE1    .   30222   1
      376   .   1   1   33   33   TYR   N      N   15   120.5960   0.0000   .   1   .   .   .   .   A   33   TYR   N      .   30222   1
      377   .   1   1   34   34   PHE   H      H   1    9.0830     0.0000   .   1   .   .   .   .   A   34   PHE   H      .   30222   1
      378   .   1   1   34   34   PHE   HB2    H   1    3.5330     0.0000   .   2   .   .   .   .   A   34   PHE   HB2    .   30222   1
      379   .   1   1   34   34   PHE   HD1    H   1    7.2440     0.0000   .   3   .   .   .   .   A   34   PHE   HD1    .   30222   1
      380   .   1   1   34   34   PHE   HE1    H   1    7.0640     0.0000   .   3   .   .   .   .   A   34   PHE   HE1    .   30222   1
      381   .   1   1   34   34   PHE   C      C   13   178.3370   0.0000   .   1   .   .   .   .   A   34   PHE   C      .   30222   1
      382   .   1   1   34   34   PHE   CA     C   13   61.5890    0.0000   .   1   .   .   .   .   A   34   PHE   CA     .   30222   1
      383   .   1   1   34   34   PHE   CB     C   13   37.4020    0.0000   .   1   .   .   .   .   A   34   PHE   CB     .   30222   1
      384   .   1   1   34   34   PHE   CD1    C   13   130.4130   0.0000   .   3   .   .   .   .   A   34   PHE   CD1    .   30222   1
      385   .   1   1   34   34   PHE   CE1    C   13   131.3480   0.0000   .   3   .   .   .   .   A   34   PHE   CE1    .   30222   1
      386   .   1   1   34   34   PHE   N      N   15   119.7300   0.0000   .   1   .   .   .   .   A   34   PHE   N      .   30222   1
      387   .   1   1   35   35   ASN   H      H   1    8.5510     0.0000   .   1   .   .   .   .   A   35   ASN   H      .   30222   1
      388   .   1   1   35   35   ASN   HA     H   1    4.5550     0.0000   .   1   .   .   .   .   A   35   ASN   HA     .   30222   1
      389   .   1   1   35   35   ASN   HB2    H   1    2.9210     0.0000   .   2   .   .   .   .   A   35   ASN   HB2    .   30222   1
      390   .   1   1   35   35   ASN   HD21   H   1    7.6810     0.0000   .   2   .   .   .   .   A   35   ASN   HD21   .   30222   1
      391   .   1   1   35   35   ASN   HD22   H   1    6.9690     0.0000   .   2   .   .   .   .   A   35   ASN   HD22   .   30222   1
      392   .   1   1   35   35   ASN   C      C   13   178.9440   0.0000   .   1   .   .   .   .   A   35   ASN   C      .   30222   1
      393   .   1   1   35   35   ASN   CA     C   13   56.7480    0.0000   .   1   .   .   .   .   A   35   ASN   CA     .   30222   1
      394   .   1   1   35   35   ASN   CB     C   13   38.8060    0.0000   .   1   .   .   .   .   A   35   ASN   CB     .   30222   1
      395   .   1   1   35   35   ASN   N      N   15   119.7090   0.0000   .   1   .   .   .   .   A   35   ASN   N      .   30222   1
      396   .   1   1   35   35   ASN   ND2    N   15   111.9720   0.0000   .   1   .   .   .   .   A   35   ASN   ND2    .   30222   1
      397   .   1   1   36   36   ASP   H      H   1    8.7290     0.0000   .   1   .   .   .   .   A   36   ASP   H      .   30222   1
      398   .   1   1   36   36   ASP   HA     H   1    4.4390     0.0000   .   1   .   .   .   .   A   36   ASP   HA     .   30222   1
      399   .   1   1   36   36   ASP   HB2    H   1    2.7730     0.0000   .   2   .   .   .   .   A   36   ASP   HB2    .   30222   1
      400   .   1   1   36   36   ASP   C      C   13   177.0930   0.0000   .   1   .   .   .   .   A   36   ASP   C      .   30222   1
      401   .   1   1   36   36   ASP   CA     C   13   56.6940    0.0000   .   1   .   .   .   .   A   36   ASP   CA     .   30222   1
      402   .   1   1   36   36   ASP   CB     C   13   40.1650    0.0000   .   1   .   .   .   .   A   36   ASP   CB     .   30222   1
      403   .   1   1   36   36   ASP   N      N   15   120.9510   0.0000   .   1   .   .   .   .   A   36   ASP   N      .   30222   1
      404   .   1   1   37   37   ASN   H      H   1    7.4230     0.0000   .   1   .   .   .   .   A   37   ASN   H      .   30222   1
      405   .   1   1   37   37   ASN   HA     H   1    4.6900     0.0000   .   1   .   .   .   .   A   37   ASN   HA     .   30222   1
      406   .   1   1   37   37   ASN   HB2    H   1    3.4540     0.0000   .   2   .   .   .   .   A   37   ASN   HB2    .   30222   1
      407   .   1   1   37   37   ASN   HD21   H   1    6.7370     0.0000   .   2   .   .   .   .   A   37   ASN   HD21   .   30222   1
      408   .   1   1   37   37   ASN   HD22   H   1    6.4810     0.0000   .   2   .   .   .   .   A   37   ASN   HD22   .   30222   1
      409   .   1   1   37   37   ASN   C      C   13   174.3330   0.0000   .   1   .   .   .   .   A   37   ASN   C      .   30222   1
      410   .   1   1   37   37   ASN   CA     C   13   53.7880    0.0000   .   1   .   .   .   .   A   37   ASN   CA     .   30222   1
      411   .   1   1   37   37   ASN   CB     C   13   39.9940    0.0000   .   1   .   .   .   .   A   37   ASN   CB     .   30222   1
      412   .   1   1   37   37   ASN   N      N   15   115.5710   0.0000   .   1   .   .   .   .   A   37   ASN   N      .   30222   1
      413   .   1   1   37   37   ASN   ND2    N   15   114.3220   0.0000   .   1   .   .   .   .   A   37   ASN   ND2    .   30222   1
      414   .   1   1   38   38   GLY   H      H   1    7.8380     0.0000   .   1   .   .   .   .   A   38   GLY   H      .   30222   1
      415   .   1   1   38   38   GLY   HA2    H   1    3.9330     0.0000   .   2   .   .   .   .   A   38   GLY   HA2    .   30222   1
      416   .   1   1   38   38   GLY   C      C   13   173.9750   0.0000   .   1   .   .   .   .   A   38   GLY   C      .   30222   1
      417   .   1   1   38   38   GLY   CA     C   13   46.7650    0.0000   .   1   .   .   .   .   A   38   GLY   CA     .   30222   1
      418   .   1   1   38   38   GLY   N      N   15   108.5490   0.0000   .   1   .   .   .   .   A   38   GLY   N      .   30222   1
      419   .   1   1   39   39   LEU   H      H   1    8.0750     0.0000   .   1   .   .   .   .   A   39   LEU   H      .   30222   1
      420   .   1   1   39   39   LEU   HA     H   1    4.5610     0.0000   .   1   .   .   .   .   A   39   LEU   HA     .   30222   1
      421   .   1   1   39   39   LEU   HB2    H   1    1.3680     0.0000   .   2   .   .   .   .   A   39   LEU   HB2    .   30222   1
      422   .   1   1   39   39   LEU   HG     H   1    1.3360     0.0000   .   1   .   .   .   .   A   39   LEU   HG     .   30222   1
      423   .   1   1   39   39   LEU   HD11   H   1    1.2480     0.0000   .   2   .   .   .   .   A   39   LEU   HD11   .   30222   1
      424   .   1   1   39   39   LEU   HD12   H   1    1.2480     0.0000   .   2   .   .   .   .   A   39   LEU   HD12   .   30222   1
      425   .   1   1   39   39   LEU   HD13   H   1    1.2480     0.0000   .   2   .   .   .   .   A   39   LEU   HD13   .   30222   1
      426   .   1   1   39   39   LEU   C      C   13   175.0860   0.0000   .   1   .   .   .   .   A   39   LEU   C      .   30222   1
      427   .   1   1   39   39   LEU   CA     C   13   54.1310    0.0000   .   1   .   .   .   .   A   39   LEU   CA     .   30222   1
      428   .   1   1   39   39   LEU   CB     C   13   44.3210    0.0000   .   1   .   .   .   .   A   39   LEU   CB     .   30222   1
      429   .   1   1   39   39   LEU   CG     C   13   27.2480    0.0000   .   1   .   .   .   .   A   39   LEU   CG     .   30222   1
      430   .   1   1   39   39   LEU   CD1    C   13   24.3970    0.0000   .   2   .   .   .   .   A   39   LEU   CD1    .   30222   1
      431   .   1   1   39   39   LEU   N      N   15   121.4610   0.0000   .   1   .   .   .   .   A   39   LEU   N      .   30222   1
      432   .   1   1   40   40   ASP   H      H   1    8.5010     0.0000   .   1   .   .   .   .   A   40   ASP   H      .   30222   1
      433   .   1   1   40   40   ASP   HA     H   1    4.1650     0.0000   .   1   .   .   .   .   A   40   ASP   HA     .   30222   1
      434   .   1   1   40   40   ASP   HB2    H   1    3.5150     0.0000   .   2   .   .   .   .   A   40   ASP   HB2    .   30222   1
      435   .   1   1   40   40   ASP   C      C   13   174.5620   0.0000   .   1   .   .   .   .   A   40   ASP   C      .   30222   1
      436   .   1   1   40   40   ASP   CA     C   13   53.316     0.0000   .   1   .   .   .   .   A   40   ASP   CA     .   30222   1
      437   .   1   1   40   40   ASP   CB     C   13   43.1980    0.0000   .   1   .   .   .   .   A   40   ASP   CB     .   30222   1
      438   .   1   1   40   40   ASP   N      N   15   122.9190   0.0000   .   1   .   .   .   .   A   40   ASP   N      .   30222   1
      439   .   1   1   41   41   GLY   H      H   1    8.2160     0.0000   .   1   .   .   .   .   A   41   GLY   H      .   30222   1
      440   .   1   1   41   41   GLY   HA2    H   1    4.1450     0.0000   .   2   .   .   .   .   A   41   GLY   HA2    .   30222   1
      441   .   1   1   41   41   GLY   HA3    H   1    3.6670     0.0000   .   2   .   .   .   .   A   41   GLY   HA3    .   30222   1
      442   .   1   1   41   41   GLY   C      C   13   171.9500   0.0000   .   1   .   .   .   .   A   41   GLY   C      .   30222   1
      443   .   1   1   41   41   GLY   CA     C   13   45.0630    0.0000   .   1   .   .   .   .   A   41   GLY   CA     .   30222   1
      444   .   1   1   41   41   GLY   N      N   15   106.4850   0.0000   .   1   .   .   .   .   A   41   GLY   N      .   30222   1
      445   .   1   1   42   42   GLU   H      H   1    8.3360     0.0000   .   1   .   .   .   .   A   42   GLU   H      .   30222   1
      446   .   1   1   42   42   GLU   HA     H   1    4.3360     0.0000   .   1   .   .   .   .   A   42   GLU   HA     .   30222   1
      447   .   1   1   42   42   GLU   HB2    H   1    2.4480     0.0000   .   2   .   .   .   .   A   42   GLU   HB2    .   30222   1
      448   .   1   1   42   42   GLU   HB3    H   1    2.3840     0.0000   .   2   .   .   .   .   A   42   GLU   HB3    .   30222   1
      449   .   1   1   42   42   GLU   HG2    H   1    1.9180     0.0000   .   2   .   .   .   .   A   42   GLU   HG2    .   30222   1
      450   .   1   1   42   42   GLU   HG3    H   1    1.8350     0.0000   .   2   .   .   .   .   A   42   GLU   HG3    .   30222   1
      451   .   1   1   42   42   GLU   C      C   13   176.7530   0.0000   .   1   .   .   .   .   A   42   GLU   C      .   30222   1
      452   .   1   1   42   42   GLU   CA     C   13   56.0610    0.0000   .   1   .   .   .   .   A   42   GLU   CA     .   30222   1
      453   .   1   1   42   42   GLU   CB     C   13   31.1110    0.0000   .   1   .   .   .   .   A   42   GLU   CB     .   30222   1
      454   .   1   1   42   42   GLU   CG     C   13   34.3470    0.0000   .   1   .   .   .   .   A   42   GLU   CG     .   30222   1
      455   .   1   1   42   42   GLU   N      N   15   120.0310   0.0000   .   1   .   .   .   .   A   42   GLU   N      .   30222   1
      456   .   1   1   43   43   TRP   H      H   1    9.1500     0.0000   .   1   .   .   .   .   A   43   TRP   H      .   30222   1
      457   .   1   1   43   43   TRP   HA     H   1    5.1610     0.0000   .   1   .   .   .   .   A   43   TRP   HA     .   30222   1
      458   .   1   1   43   43   TRP   HB2    H   1    3.2540     0.0000   .   2   .   .   .   .   A   43   TRP   HB2    .   30222   1
      459   .   1   1   43   43   TRP   HB3    H   1    3.1860     0.0000   .   2   .   .   .   .   A   43   TRP   HB3    .   30222   1
      460   .   1   1   43   43   TRP   HD1    H   1    7.4970     0.0000   .   1   .   .   .   .   A   43   TRP   HD1    .   30222   1
      461   .   1   1   43   43   TRP   HE1    H   1    10.4550    0.0000   .   1   .   .   .   .   A   43   TRP   HE1    .   30222   1
      462   .   1   1   43   43   TRP   HE3    H   1    7.4780     0.0000   .   1   .   .   .   .   A   43   TRP   HE3    .   30222   1
      463   .   1   1   43   43   TRP   HZ2    H   1    7.1180     0.0000   .   1   .   .   .   .   A   43   TRP   HZ2    .   30222   1
      464   .   1   1   43   43   TRP   HZ3    H   1    6.5800     0.0000   .   1   .   .   .   .   A   43   TRP   HZ3    .   30222   1
      465   .   1   1   43   43   TRP   HH2    H   1    6.3720     0.0000   .   1   .   .   .   .   A   43   TRP   HH2    .   30222   1
      466   .   1   1   43   43   TRP   C      C   13   176.9360   0.0000   .   1   .   .   .   .   A   43   TRP   C      .   30222   1
      467   .   1   1   43   43   TRP   CA     C   13   57.7310    0.0000   .   1   .   .   .   .   A   43   TRP   CA     .   30222   1
      468   .   1   1   43   43   TRP   CB     C   13   30.0580    0.0000   .   1   .   .   .   .   A   43   TRP   CB     .   30222   1
      469   .   1   1   43   43   TRP   CD1    C   13   126.8170   0.0000   .   1   .   .   .   .   A   43   TRP   CD1    .   30222   1
      470   .   1   1   43   43   TRP   CE3    C   13   119.5970   0.0000   .   1   .   .   .   .   A   43   TRP   CE3    .   30222   1
      471   .   1   1   43   43   TRP   CZ2    C   13   114.1500   0.0000   .   1   .   .   .   .   A   43   TRP   CZ2    .   30222   1
      472   .   1   1   43   43   TRP   CZ3    C   13   123.4150   0.0000   .   1   .   .   .   .   A   43   TRP   CZ3    .   30222   1
      473   .   1   1   43   43   TRP   CH2    C   13   120.0540   0.0000   .   1   .   .   .   .   A   43   TRP   CH2    .   30222   1
      474   .   1   1   43   43   TRP   N      N   15   127.2060   0.0000   .   1   .   .   .   .   A   43   TRP   N      .   30222   1
      475   .   1   1   43   43   TRP   NE1    N   15   130.9500   0.0000   .   1   .   .   .   .   A   43   TRP   NE1    .   30222   1
      476   .   1   1   44   44   THR   H      H   1    9.1070     0.0000   .   1   .   .   .   .   A   44   THR   H      .   30222   1
      477   .   1   1   44   44   THR   HA     H   1    4.8260     0.0000   .   1   .   .   .   .   A   44   THR   HA     .   30222   1
      478   .   1   1   44   44   THR   HB     H   1    4.2630     0.0000   .   1   .   .   .   .   A   44   THR   HB     .   30222   1
      479   .   1   1   44   44   THR   HG21   H   1    1.2390     0.0000   .   1   .   .   .   .   A   44   THR   HG21   .   30222   1
      480   .   1   1   44   44   THR   HG22   H   1    1.2390     0.0000   .   1   .   .   .   .   A   44   THR   HG22   .   30222   1
      481   .   1   1   44   44   THR   HG23   H   1    1.2390     0.0000   .   1   .   .   .   .   A   44   THR   HG23   .   30222   1
      482   .   1   1   44   44   THR   C      C   13   172.8360   0.0000   .   1   .   .   .   .   A   44   THR   C      .   30222   1
      483   .   1   1   44   44   THR   CA     C   13   60.7440    0.0000   .   1   .   .   .   .   A   44   THR   CA     .   30222   1
      484   .   1   1   44   44   THR   CB     C   13   71.7840    0.0000   .   1   .   .   .   .   A   44   THR   CB     .   30222   1
      485   .   1   1   44   44   THR   CG2    C   13   21.9010    0.0000   .   1   .   .   .   .   A   44   THR   CG2    .   30222   1
      486   .   1   1   44   44   THR   N      N   15   115.3180   0.0000   .   1   .   .   .   .   A   44   THR   N      .   30222   1
      487   .   1   1   45   45   TYR   H      H   1    8.7150     0.0000   .   1   .   .   .   .   A   45   TYR   H      .   30222   1
      488   .   1   1   45   45   TYR   HA     H   1    4.9440     0.0000   .   1   .   .   .   .   A   45   TYR   HA     .   30222   1
      489   .   1   1   45   45   TYR   HB2    H   1    2.9430     0.0000   .   2   .   .   .   .   A   45   TYR   HB2    .   30222   1
      490   .   1   1   45   45   TYR   HB3    H   1    2.5770     0.0000   .   2   .   .   .   .   A   45   TYR   HB3    .   30222   1
      491   .   1   1   45   45   TYR   HD1    H   1    7.7810     0.0000   .   3   .   .   .   .   A   45   TYR   HD1    .   30222   1
      492   .   1   1   45   45   TYR   HE1    H   1    6.8410     0.0000   .   3   .   .   .   .   A   45   TYR   HE1    .   30222   1
      493   .   1   1   45   45   TYR   C      C   13   173.2500   0.0000   .   1   .   .   .   .   A   45   TYR   C      .   30222   1
      494   .   1   1   45   45   TYR   CA     C   13   57.0380    0.0000   .   1   .   .   .   .   A   45   TYR   CA     .   30222   1
      495   .   1   1   45   45   TYR   CB     C   13   41.5500    0.0000   .   1   .   .   .   .   A   45   TYR   CB     .   30222   1
      496   .   1   1   45   45   TYR   CD1    C   13   132.6650   0.0000   .   3   .   .   .   .   A   45   TYR   CD1    .   30222   1
      497   .   1   1   45   45   TYR   CE1    C   13   117.3380   0.0000   .   3   .   .   .   .   A   45   TYR   CE1    .   30222   1
      498   .   1   1   45   45   TYR   N      N   15   122.0240   0.0000   .   1   .   .   .   .   A   45   TYR   N      .   30222   1
      499   .   1   1   46   46   ASP   H      H   1    7.5640     0.0000   .   1   .   .   .   .   A   46   ASP   H      .   30222   1
      500   .   1   1   46   46   ASP   HA     H   1    4.5930     0.0000   .   1   .   .   .   .   A   46   ASP   HA     .   30222   1
      501   .   1   1   46   46   ASP   HB2    H   1    2.6080     0.0000   .   2   .   .   .   .   A   46   ASP   HB2    .   30222   1
      502   .   1   1   46   46   ASP   HB3    H   1    2.2650     0.0000   .   2   .   .   .   .   A   46   ASP   HB3    .   30222   1
      503   .   1   1   46   46   ASP   C      C   13   174.4810   0.0000   .   1   .   .   .   .   A   46   ASP   C      .   30222   1
      504   .   1   1   46   46   ASP   CA     C   13   51.9010    0.0000   .   1   .   .   .   .   A   46   ASP   CA     .   30222   1
      505   .   1   1   46   46   ASP   CB     C   13   43.0950    0.0000   .   1   .   .   .   .   A   46   ASP   CB     .   30222   1
      506   .   1   1   46   46   ASP   N      N   15   128.4860   0.0000   .   1   .   .   .   .   A   46   ASP   N      .   30222   1
      507   .   1   1   47   47   ASP   H      H   1    8.5320     0.0000   .   1   .   .   .   .   A   47   ASP   H      .   30222   1
      508   .   1   1   47   47   ASP   HA     H   1    4.1400     0.0000   .   1   .   .   .   .   A   47   ASP   HA     .   30222   1
      509   .   1   1   47   47   ASP   HB2    H   1    2.8180     0.0000   .   2   .   .   .   .   A   47   ASP   HB2    .   30222   1
      510   .   1   1   47   47   ASP   HB3    H   1    2.5200     0.0000   .   2   .   .   .   .   A   47   ASP   HB3    .   30222   1
      511   .   1   1   47   47   ASP   C      C   13   178.0540   0.0000   .   1   .   .   .   .   A   47   ASP   C      .   30222   1
      512   .   1   1   47   47   ASP   CA     C   13   56.1400    0.0000   .   1   .   .   .   .   A   47   ASP   CA     .   30222   1
      513   .   1   1   47   47   ASP   CB     C   13   42.0860    0.0000   .   1   .   .   .   .   A   47   ASP   CB     .   30222   1
      514   .   1   1   47   47   ASP   N      N   15   124.9990   0.0000   .   1   .   .   .   .   A   47   ASP   N      .   30222   1
      515   .   1   1   48   48   ALA   H      H   1    8.2900     0.0000   .   1   .   .   .   .   A   48   ALA   H      .   30222   1
      516   .   1   1   48   48   ALA   HA     H   1    4.0980     0.0000   .   1   .   .   .   .   A   48   ALA   HA     .   30222   1
      517   .   1   1   48   48   ALA   HB1    H   1    1.4960     0.0000   .   1   .   .   .   .   A   48   ALA   HB1    .   30222   1
      518   .   1   1   48   48   ALA   HB2    H   1    1.4960     0.0000   .   1   .   .   .   .   A   48   ALA   HB2    .   30222   1
      519   .   1   1   48   48   ALA   HB3    H   1    1.4960     0.0000   .   1   .   .   .   .   A   48   ALA   HB3    .   30222   1
      520   .   1   1   48   48   ALA   C      C   13   179.8520   0.0000   .   1   .   .   .   .   A   48   ALA   C      .   30222   1
      521   .   1   1   48   48   ALA   CA     C   13   55.0160    0.0000   .   1   .   .   .   .   A   48   ALA   CA     .   30222   1
      522   .   1   1   48   48   ALA   CB     C   13   18.3240    0.0000   .   1   .   .   .   .   A   48   ALA   CB     .   30222   1
      523   .   1   1   48   48   ALA   N      N   15   119.7480   0.0000   .   1   .   .   .   .   A   48   ALA   N      .   30222   1
      524   .   1   1   49   49   THR   H      H   1    6.9830     0.0000   .   1   .   .   .   .   A   49   THR   H      .   30222   1
      525   .   1   1   49   49   THR   HA     H   1    4.3920     0.0000   .   1   .   .   .   .   A   49   THR   HA     .   30222   1
      526   .   1   1   49   49   THR   HB     H   1    4.4000     0.0000   .   1   .   .   .   .   A   49   THR   HB     .   30222   1
      527   .   1   1   49   49   THR   HG21   H   1    1.0830     0.0000   .   1   .   .   .   .   A   49   THR   HG21   .   30222   1
      528   .   1   1   49   49   THR   HG22   H   1    1.0830     0.0000   .   1   .   .   .   .   A   49   THR   HG22   .   30222   1
      529   .   1   1   49   49   THR   HG23   H   1    1.0830     0.0000   .   1   .   .   .   .   A   49   THR   HG23   .   30222   1
      530   .   1   1   49   49   THR   C      C   13   175.3970   0.0000   .   1   .   .   .   .   A   49   THR   C      .   30222   1
      531   .   1   1   49   49   THR   CA     C   13   60.3460    0.0000   .   1   .   .   .   .   A   49   THR   CA     .   30222   1
      532   .   1   1   49   49   THR   CB     C   13   70.0760    0.0000   .   1   .   .   .   .   A   49   THR   CB     .   30222   1
      533   .   1   1   49   49   THR   CG2    C   13   21.1350    0.0000   .   1   .   .   .   .   A   49   THR   CG2    .   30222   1
      534   .   1   1   49   49   THR   N      N   15   103.1930   0.0000   .   1   .   .   .   .   A   49   THR   N      .   30222   1
      535   .   1   1   50   50   LYS   H      H   1    7.8390     0.0000   .   1   .   .   .   .   A   50   LYS   H      .   30222   1
      536   .   1   1   50   50   LYS   HA     H   1    4.2100     0.0000   .   1   .   .   .   .   A   50   LYS   HA     .   30222   1
      537   .   1   1   50   50   LYS   HB2    H   1    1.9700     0.0000   .   2   .   .   .   .   A   50   LYS   HB2    .   30222   1
      538   .   1   1   50   50   LYS   HB3    H   1    1.9650     0.0000   .   2   .   .   .   .   A   50   LYS   HB3    .   30222   1
      539   .   1   1   50   50   LYS   HG2    H   1    1.2050     0.0000   .   2   .   .   .   .   A   50   LYS   HG2    .   30222   1
      540   .   1   1   50   50   LYS   HD2    H   1    1.4850     0.0000   .   2   .   .   .   .   A   50   LYS   HD2    .   30222   1
      541   .   1   1   50   50   LYS   HD3    H   1    1.3290     0.0000   .   2   .   .   .   .   A   50   LYS   HD3    .   30222   1
      542   .   1   1   50   50   LYS   HE2    H   1    2.9820     0.0000   .   2   .   .   .   .   A   50   LYS   HE2    .   30222   1
      543   .   1   1   50   50   LYS   HE3    H   1    2.9240     0.0000   .   2   .   .   .   .   A   50   LYS   HE3    .   30222   1
      544   .   1   1   50   50   LYS   C      C   13   174.9240   0.0000   .   1   .   .   .   .   A   50   LYS   C      .   30222   1
      545   .   1   1   50   50   LYS   CA     C   13   56.7250    0.0000   .   1   .   .   .   .   A   50   LYS   CA     .   30222   1
      546   .   1   1   50   50   LYS   CB     C   13   29.3190    0.0000   .   1   .   .   .   .   A   50   LYS   CB     .   30222   1
      547   .   1   1   50   50   LYS   CG     C   13   24.5930    0.0000   .   1   .   .   .   .   A   50   LYS   CG     .   30222   1
      548   .   1   1   50   50   LYS   CD     C   13   28.3440    0.0000   .   1   .   .   .   .   A   50   LYS   CD     .   30222   1
      549   .   1   1   50   50   LYS   CE     C   13   42.6530    0.0000   .   1   .   .   .   .   A   50   LYS   CE     .   30222   1
      550   .   1   1   50   50   LYS   N      N   15   123.8050   0.0000   .   1   .   .   .   .   A   50   LYS   N      .   30222   1
      551   .   1   1   51   51   THR   H      H   1    7.3090     0.0000   .   1   .   .   .   .   A   51   THR   H      .   30222   1
      552   .   1   1   51   51   THR   HA     H   1    5.6210     0.0000   .   1   .   .   .   .   A   51   THR   HA     .   30222   1
      553   .   1   1   51   51   THR   HB     H   1    3.8050     0.0000   .   1   .   .   .   .   A   51   THR   HB     .   30222   1
      554   .   1   1   51   51   THR   HG21   H   1    1.0290     0.0000   .   1   .   .   .   .   A   51   THR   HG21   .   30222   1
      555   .   1   1   51   51   THR   HG22   H   1    1.0290     0.0000   .   1   .   .   .   .   A   51   THR   HG22   .   30222   1
      556   .   1   1   51   51   THR   HG23   H   1    1.0290     0.0000   .   1   .   .   .   .   A   51   THR   HG23   .   30222   1
      557   .   1   1   51   51   THR   C      C   13   174.9140   0.0000   .   1   .   .   .   .   A   51   THR   C      .   30222   1
      558   .   1   1   51   51   THR   CA     C   13   61.8770    0.0000   .   1   .   .   .   .   A   51   THR   CA     .   30222   1
      559   .   1   1   51   51   THR   CB     C   13   72.3110    0.0000   .   1   .   .   .   .   A   51   THR   CB     .   30222   1
      560   .   1   1   51   51   THR   CG2    C   13   20.9180    0.0000   .   1   .   .   .   .   A   51   THR   CG2    .   30222   1
      561   .   1   1   51   51   THR   N      N   15   110.8470   0.0000   .   1   .   .   .   .   A   51   THR   N      .   30222   1
      562   .   1   1   52   52   PHE   H      H   1    10.2590    0.0000   .   1   .   .   .   .   A   52   PHE   H      .   30222   1
      563   .   1   1   52   52   PHE   HA     H   1    5.7130     0.0000   .   1   .   .   .   .   A   52   PHE   HA     .   30222   1
      564   .   1   1   52   52   PHE   HB2    H   1    3.1080     0.0000   .   2   .   .   .   .   A   52   PHE   HB2    .   30222   1
      565   .   1   1   52   52   PHE   HB3    H   1    3.0070     0.0000   .   2   .   .   .   .   A   52   PHE   HB3    .   30222   1
      566   .   1   1   52   52   PHE   HD1    H   1    7.7600     0.0000   .   3   .   .   .   .   A   52   PHE   HD1    .   30222   1
      567   .   1   1   52   52   PHE   HE1    H   1    7.2220     0.0000   .   3   .   .   .   .   A   52   PHE   HE1    .   30222   1
      568   .   1   1   52   52   PHE   C      C   13   174.9980   0.0000   .   1   .   .   .   .   A   52   PHE   C      .   30222   1
      569   .   1   1   52   52   PHE   CA     C   13   57.1610    0.0000   .   1   .   .   .   .   A   52   PHE   CA     .   30222   1
      570   .   1   1   52   52   PHE   CB     C   13   41.5420    0.0000   .   1   .   .   .   .   A   52   PHE   CB     .   30222   1
      571   .   1   1   52   52   PHE   CD1    C   13   132.7270   0.0000   .   3   .   .   .   .   A   52   PHE   CD1    .   30222   1
      572   .   1   1   52   52   PHE   CE1    C   13   131.2290   0.0000   .   3   .   .   .   .   A   52   PHE   CE1    .   30222   1
      573   .   1   1   52   52   PHE   N      N   15   130.6180   0.0000   .   1   .   .   .   .   A   52   PHE   N      .   30222   1
      574   .   1   1   53   53   THR   H      H   1    9.1210     0.0000   .   1   .   .   .   .   A   53   THR   H      .   30222   1
      575   .   1   1   53   53   THR   HA     H   1    4.9660     0.0000   .   1   .   .   .   .   A   53   THR   HA     .   30222   1
      576   .   1   1   53   53   THR   HB     H   1    3.8420     0.0000   .   1   .   .   .   .   A   53   THR   HB     .   30222   1
      577   .   1   1   53   53   THR   HG21   H   1    0.9930     0.0000   .   1   .   .   .   .   A   53   THR   HG21   .   30222   1
      578   .   1   1   53   53   THR   HG22   H   1    0.9930     0.0000   .   1   .   .   .   .   A   53   THR   HG22   .   30222   1
      579   .   1   1   53   53   THR   HG23   H   1    0.9930     0.0000   .   1   .   .   .   .   A   53   THR   HG23   .   30222   1
      580   .   1   1   53   53   THR   C      C   13   172.9110   0.0000   .   1   .   .   .   .   A   53   THR   C      .   30222   1
      581   .   1   1   53   53   THR   CA     C   13   62.2980    0.0000   .   1   .   .   .   .   A   53   THR   CA     .   30222   1
      582   .   1   1   53   53   THR   CB     C   13   70.4420    0.0000   .   1   .   .   .   .   A   53   THR   CB     .   30222   1
      583   .   1   1   53   53   THR   CG2    C   13   20.7090    0.0000   .   1   .   .   .   .   A   53   THR   CG2    .   30222   1
      584   .   1   1   53   53   THR   N      N   15   118.7300   0.0000   .   1   .   .   .   .   A   53   THR   N      .   30222   1
      585   .   1   1   54   54   VAL   H      H   1    8.5030     0.0000   .   1   .   .   .   .   A   54   VAL   H      .   30222   1
      586   .   1   1   54   54   VAL   HA     H   1    4.3720     0.0000   .   1   .   .   .   .   A   54   VAL   HA     .   30222   1
      587   .   1   1   54   54   VAL   HB     H   1    0.8180     0.0000   .   1   .   .   .   .   A   54   VAL   HB     .   30222   1
      588   .   1   1   54   54   VAL   HG11   H   1    -0.1520    0.0000   .   2   .   .   .   .   A   54   VAL   HG11   .   30222   1
      589   .   1   1   54   54   VAL   HG12   H   1    -0.1520    0.0000   .   2   .   .   .   .   A   54   VAL   HG12   .   30222   1
      590   .   1   1   54   54   VAL   HG13   H   1    -0.1520    0.0000   .   2   .   .   .   .   A   54   VAL   HG13   .   30222   1
      591   .   1   1   54   54   VAL   HG21   H   1    -0.8350    0.0000   .   2   .   .   .   .   A   54   VAL   HG21   .   30222   1
      592   .   1   1   54   54   VAL   HG22   H   1    -0.8350    0.0000   .   2   .   .   .   .   A   54   VAL   HG22   .   30222   1
      593   .   1   1   54   54   VAL   HG23   H   1    -0.8350    0.0000   .   2   .   .   .   .   A   54   VAL   HG23   .   30222   1
      594   .   1   1   54   54   VAL   C      C   13   174.5850   0.0000   .   1   .   .   .   .   A   54   VAL   C      .   30222   1
      595   .   1   1   54   54   VAL   CA     C   13   59.7870    0.0000   .   1   .   .   .   .   A   54   VAL   CA     .   30222   1
      596   .   1   1   54   54   VAL   CB     C   13   32.2860    0.0000   .   1   .   .   .   .   A   54   VAL   CB     .   30222   1
      597   .   1   1   54   54   VAL   CG1    C   13   19.6360    0.0000   .   2   .   .   .   .   A   54   VAL   CG1    .   30222   1
      598   .   1   1   54   54   VAL   CG2    C   13   18.7680    0.0000   .   2   .   .   .   .   A   54   VAL   CG2    .   30222   1
      599   .   1   1   54   54   VAL   N      N   15   127.2720   0.0000   .   1   .   .   .   .   A   54   VAL   N      .   30222   1
      600   .   1   1   55   55   THR   H      H   1    8.5540     0.0000   .   1   .   .   .   .   A   55   THR   H      .   30222   1
      601   .   1   1   55   55   THR   HA     H   1    4.7280     0.0000   .   1   .   .   .   .   A   55   THR   HA     .   30222   1
      602   .   1   1   55   55   THR   HB     H   1    3.9770     0.0000   .   1   .   .   .   .   A   55   THR   HB     .   30222   1
      603   .   1   1   55   55   THR   HG21   H   1    1.2520     0.0000   .   1   .   .   .   .   A   55   THR   HG21   .   30222   1
      604   .   1   1   55   55   THR   HG22   H   1    1.2520     0.0000   .   1   .   .   .   .   A   55   THR   HG22   .   30222   1
      605   .   1   1   55   55   THR   HG23   H   1    1.2520     0.0000   .   1   .   .   .   .   A   55   THR   HG23   .   30222   1
      606   .   1   1   55   55   THR   C      C   13   173.8060   0.0000   .   1   .   .   .   .   A   55   THR   C      .   30222   1
      607   .   1   1   55   55   THR   CA     C   13   61.2830    0.0000   .   1   .   .   .   .   A   55   THR   CA     .   30222   1
      608   .   1   1   55   55   THR   CB     C   13   70.6090    0.0000   .   1   .   .   .   .   A   55   THR   CB     .   30222   1
      609   .   1   1   55   55   THR   CG2    C   13   21.3320    0.0000   .   1   .   .   .   .   A   55   THR   CG2    .   30222   1
      610   .   1   1   55   55   THR   N      N   15   123.4900   0.0000   .   1   .   .   .   .   A   55   THR   N      .   30222   1
      611   .   1   1   56   56   GLU   H      H   1    7.8310     0.0000   .   1   .   .   .   .   A   56   GLU   H      .   30222   1
      612   .   1   1   56   56   GLU   HA     H   1    4.2040     0.0000   .   1   .   .   .   .   A   56   GLU   HA     .   30222   1
      613   .   1   1   56   56   GLU   HB2    H   1    2.1310     0.0000   .   2   .   .   .   .   A   56   GLU   HB2    .   30222   1
      614   .   1   1   56   56   GLU   HB3    H   1    1.9190     0.0000   .   2   .   .   .   .   A   56   GLU   HB3    .   30222   1
      615   .   1   1   56   56   GLU   HG2    H   1    2.3850     0.0000   .   2   .   .   .   .   A   56   GLU   HG2    .   30222   1
      616   .   1   1   56   56   GLU   HG3    H   1    2.3120     0.0000   .   2   .   .   .   .   A   56   GLU   HG3    .   30222   1
      617   .   1   1   56   56   GLU   CA     C   13   58.3000    0.0000   .   1   .   .   .   .   A   56   GLU   CA     .   30222   1
      618   .   1   1   56   56   GLU   CB     C   13   32.5810    0.0000   .   1   .   .   .   .   A   56   GLU   CB     .   30222   1
      619   .   1   1   56   56   GLU   CG     C   13   36.9680    0.0000   .   1   .   .   .   .   A   56   GLU   CG     .   30222   1
      620   .   1   1   56   56   GLU   N      N   15   133.4640   0.0000   .   1   .   .   .   .   A   56   GLU   N      .   30222   1
   stop_
save_


    #########################
    #  Spectral peak lists  #
    #########################

save_spectral_peak_list_1
   _Spectral_peak_list.Sf_category                      spectral_peak_list
   _Spectral_peak_list.Sf_framecode                     spectral_peak_list_1
   _Spectral_peak_list.Entry_ID                         30222
   _Spectral_peak_list.ID                               1
   _Spectral_peak_list.Sample_ID                        1
   _Spectral_peak_list.Sample_label                     $sample_1
   _Spectral_peak_list.Sample_condition_list_ID         1
   _Spectral_peak_list.Sample_condition_list_label      $sample_conditions_1
   _Spectral_peak_list.Experiment_ID                    1
   _Spectral_peak_list.Experiment_name                  '3D 1H-15N NOESY'
   _Spectral_peak_list.Experiment_class                 .
   _Spectral_peak_list.Experiment_type                  .
   _Spectral_peak_list.Number_of_spectral_dimensions    3
   _Spectral_peak_list.Chemical_shift_list              .
   _Spectral_peak_list.Assigned_chem_shift_list_ID      .
   _Spectral_peak_list.Assigned_chem_shift_list_label   .
   _Spectral_peak_list.Details                          .
   _Spectral_peak_list.Text_data_format                 text
   _Spectral_peak_list.Text_data

;
# Number of dimensions 3
# INAME 1 H
# INAME 2 N
# INAME 3 h
# CYANAFORMAT HNh
   1   8.900 128.965   8.899 1 T          2.086e+02  0.00e+00 a   0 -         -         -          
   2   8.907 128.898   7.854 1 T          4.246e+00  0.00e+00 a   0 -         -         -          
   3   8.903 128.983   5.261 1 T          9.778e+00  0.00e+00 a   0 -         -         -          
   4   8.901 128.967   4.181 1 T          3.760e+01  0.00e+00 a   0 -         -         -          
   5   8.902 128.933   3.931 1 T          9.963e+00  0.00e+00 a   0 -         -         -          
   6   8.900 128.956   2.513 1 T          7.541e+00  0.00e+00 a   0 -         -         -          
   7   8.902 128.982   0.832 1 T          7.964e+00  0.00e+00 a   0 -         -         -          
   8   8.902 128.982   0.648 1 T          7.964e+00  0.00e+00 a   0 -         -         -          
   9   8.902 128.993   0.392 1 T          4.232e+00  0.00e+00 a   0 -         -         -          
  10   8.903 129.020   0.075 1 T          4.071e+00  0.00e+00 a   0 -         -         -          
  11   8.902 128.994  -0.184 1 T          3.883e+00  0.00e+00 a   0 -         -         -          
  12   8.902 128.933   2.943 1 T          9.963e+00  0.00e+00 a   0 -         -         -          
  13   8.903 129.020   0.075 1 T          4.071e+00  0.00e+00 a   0 -         -         -          
  14   8.903 128.935   4.726 1 T          6.956e+00  0.00e+00 a   0 -         -         -          
  15  10.456 130.952  10.456 1 T          1.403e+02  0.00e+00 a   0 -         -         -          
  16  10.456 130.954  10.663 1 T          2.353e+01  0.00e+00 a   0 -         -         -          
  17  10.452 130.945   7.125 1 T          4.982e+00  0.00e+00 a   0 -         -         -          
  18  10.457 130.954   7.456 1 T          2.353e+01  0.00e+00 a   0 -         -         -          
  19  10.256 130.785  10.260 1 T          4.196e+01  0.00e+00 a   0 -         -         -          
  20  10.262 130.770   7.733 1 T          6.375e+00  0.00e+00 a   0 -         -         -          
  21  10.257 130.778   5.597 1 T          2.363e+01  0.00e+00 a   0 -         -         -          
  22  10.250 130.771   3.011 1 T          7.567e+00  0.00e+00 a   0 -         -         -          
  23  10.258 130.759   5.409 1 T          7.840e+00  0.00e+00 a   0 -         -         -          
  24  10.256 130.759   0.997 1 T          7.840e+00  0.00e+00 a   0 -         -         -          
  25  10.257 130.759  10.478 1 T          7.840e+00  0.00e+00 a   0 -         -         -          
  26   7.819 133.447   7.816 1 T          1.492e+02  0.00e+00 a   0 -         -         -          
  27   7.821 133.436   4.726 1 T          3.139e+01  0.00e+00 a   0 -         -         -          
  28   7.820 133.461   4.157 1 T          5.616e+00  0.00e+00 a   0 -         -         -          
  29   7.823 133.443   2.118 1 T          8.757e+00  0.00e+00 a   0 -         -         -          
  30   7.821 133.454   1.900 1 T          1.037e+01  0.00e+00 a   0 -         -         -          
  31   7.820 133.463   1.233 1 T          8.226e+00  0.00e+00 a   0 -         -         -          
  32   7.822 133.455   2.401 1 T          2.986e+00  0.00e+00 a   0 -         -         -          
  33   7.820 133.454   4.027 1 T          1.037e+01  0.00e+00 a   0 -         -         -          
  34   7.823 133.461   4.519 1 T          2.616e+00  0.00e+00 a   0 -         -         -          
  35   9.160 127.403   9.160 1 T          1.186e+02  0.00e+00 a   0 -         -         -          
  36   9.162 127.421   7.478 1 T          1.249e+01  0.00e+00 a   0 -         -         -          
  37   9.161 127.397   5.158 1 T          3.650e+00  0.00e+00 a   0 -         -         -          
  38   9.161 127.414   4.726 1 T          3.462e+01  0.00e+00 a   0 -         -         -          
  39   9.160 127.416   3.185 1 T          2.284e+01  0.00e+00 a   0 -         -         -          
  40   9.159 127.425   2.314 1 T          2.556e+00  0.00e+00 a   0 -         -         -          
  41   9.160 127.400   1.918 1 T          5.774e+00  0.00e+00 a   0 -         -         -          
  42   9.165 127.335   8.336 1 T          2.469e+00  0.00e+00 a   0 -         -         -          
  43   9.371 126.278   9.006 1 T          1.057e+01  0.00e+00 a   0 -         -         -          
  44   9.368 126.290   9.362 1 T          1.528e+02  0.00e+00 a   0 -         -         -          
  45   9.377 126.403   8.064 1 T          2.184e+00  0.00e+00 a   0 -         -         -          
  46   9.368 126.302   7.342 1 T          1.338e+01  0.00e+00 a   0 -         -         -          
  47   9.379 126.261   7.080 1 T          2.967e+00  0.00e+00 a   0 -         -         -          
  48   9.369 126.294   5.419 1 T          1.127e+01  0.00e+00 a   0 -         -         -          
  49   9.369 126.301   4.756 1 T          9.988e+00  0.00e+00 a   0 -         -         -          
  50   9.370 126.394   4.380 1 T          1.905e+00  0.00e+00 a   0 -         -         -          
  51   9.375 126.372   3.900 1 T          3.012e+00  0.00e+00 a   0 -         -         -          
  52   9.371 126.283   3.398 1 T          5.285e+00  0.00e+00 a   0 -         -         -          
  53   9.368 126.296   2.939 1 T          1.149e+01  0.00e+00 a   0 -         -         -          
  54   9.365 126.381   1.869 1 T          2.193e+00  0.00e+00 a   0 -         -         -          
  55   9.366 126.289   1.199 1 T          1.598e+01  0.00e+00 a   0 -         -         -          
  56   9.372 126.263   0.502 1 T          3.915e+00  0.00e+00 a   0 -         -         -          
  57   9.345 125.378   9.348 1 T          1.859e+02  0.00e+00 a   0 -         -         -          
  58   9.346 125.390   8.410 1 T          1.272e+01  0.00e+00 a   0 -         -         -          
  59   9.348 125.363   7.386 1 T          1.118e+01  0.00e+00 a   0 -         -         -          
  60   9.344 125.382   5.465 1 T          5.123e+01  0.00e+00 a   0 -         -         -          
  61   9.341 125.354   5.217 1 T          2.644e+00  0.00e+00 a   0 -         -         -          
  62   9.347 125.397   4.893 1 T          8.247e+00  0.00e+00 a   0 -         -         -          
  63   9.351 125.387   3.807 1 T          3.281e+00  0.00e+00 a   0 -         -         -          
  64   9.342 125.406   2.099 1 T          4.298e+00  0.00e+00 a   0 -         -         -          
  65   9.344 125.377   1.849 1 T          8.914e+00  0.00e+00 a   0 -         -         -          
  66   9.343 125.348   1.305 1 T          1.078e+01  0.00e+00 a   0 -         -         -          
  67   9.344 125.367   0.476 1 T          2.409e+00  0.00e+00 a   0 -         -         -          
  68   8.773 125.798   8.777 1 T          6.045e+01  0.00e+00 a   0 -         -         -          
  69   8.774 125.809   1.204 1 T          2.779e+00  0.00e+00 a   0 -         -         -          
  70   8.773 125.806   5.384 1 T          1.726e+01  0.00e+00 a   0 -         -         -          
  71   8.774 125.896   8.999 1 T          3.848e+00  0.00e+00 a   0 -         -         -          
  72   8.774 125.839   1.442 1 T          4.208e+00  0.00e+00 a   0 -         -         -          
  73   8.773 125.806   0.126 1 T          6.462e+00  0.00e+00 a   0 -         -         -          
  74   8.776 125.809   5.930 1 T          2.779e+00  0.00e+00 a   0 -         -         -          
  75   8.771 125.896   1.954 1 T          3.848e+00  0.00e+00 a   0 -         -         -          
  76   8.770 125.823   9.322 1 T          1.190e+01  0.00e+00 a   0 -         -         -          
  77   8.615 126.168   8.611 1 T          1.877e+02  0.00e+00 a   0 -         -         -          
  78   8.614 126.165   5.517 1 T          1.159e+01  0.00e+00 a   0 -         -         -          
  79   8.615 126.168   4.327 1 T          6.731e+01  0.00e+00 a   0 -         -         -          
  80   8.610 126.155   1.909 1 T          4.196e+00  0.00e+00 a   0 -         -         -          
  81   8.615 126.177   0.430 1 T          2.313e+01  0.00e+00 a   0 -         -         -          
  82   8.615 126.159   1.158 1 T          1.025e+01  0.00e+00 a   0 -         -         -          
  83   8.614 126.182   0.813 1 T          1.731e+01  0.00e+00 a   0 -         -         -          
  84   8.615 126.177   1.447 1 T          2.313e+01  0.00e+00 a   0 -         -         -          
  85   8.614 126.155   9.047 1 T          4.196e+00  0.00e+00 a   0 -         -         -          
  86   8.618 126.124   5.039 1 T          1.851e+00  0.00e+00 a   0 -         -         -          
  87   8.616 126.165   8.547 1 T          1.159e+01  0.00e+00 a   0 -         -         -          
  88   8.505 127.438   8.905 1 T          3.341e+00  0.00e+00 a   0 -         -         -          
  89   8.507 127.440   8.500 1 T          1.008e+02  0.00e+00 a   0 -         -         -          
  90   8.504 127.435   4.938 1 T          2.425e+01  0.00e+00 a   0 -         -         -          
  91   8.511 127.648   5.345 1 T          2.575e+00  0.00e+00 a   0 -         -         -          
  92   8.512 127.461   4.348 1 T          5.002e+00  0.00e+00 a   0 -         -         -          
  93   8.498 127.458   3.840 1 T          2.840e+00  0.00e+00 a   0 -         -         -          
  94   8.505 127.391   1.882 1 T          2.235e+00  0.00e+00 a   0 -         -         -          
  95   8.505 127.451   0.943 1 T          9.849e+00  0.00e+00 a   0 -         -         -          
  96   8.512 127.455   0.074 1 T          2.833e+00  0.00e+00 a   0 -         -         -          
  97   8.510 127.443  -0.205 1 T          5.146e+00  0.00e+00 a   0 -         -         -          
  98   8.506 127.499  -0.513 1 T          2.291e+00  0.00e+00 a   0 -         -         -          
  99   8.503 127.449  -0.859 1 T          4.601e+00  0.00e+00 a   0 -         -         -          
 100   8.511 127.648   5.345 1 T          2.575e+00  0.00e+00 a   0 -         -         -          
 101   8.511 127.648   5.345 1 T          2.575e+00  0.00e+00 a   0 -         -         -          
 102   8.511 127.648   5.345 1 T          2.575e+00  0.00e+00 a   0 -         -         -          
 103   8.508 127.499   5.350 1 T          2.291e+00  0.00e+00 a   0 -         -         -          
 104   7.563 128.590   7.578 1 T          1.413e+02  0.00e+00 a   0 -         -         -          
 105   7.563 128.602   7.287 1 T          2.228e+00  0.00e+00 a   0 -         -         -          
 106   7.568 128.589   5.724 1 T          4.223e+00  0.00e+00 a   0 -         -         -          
 107   7.564 128.595   4.917 1 T          3.680e+01  0.00e+00 a   0 -         -         -          
 108   7.568 128.576   4.621 1 T          7.261e+00  0.00e+00 a   0 -         -         -          
 109   7.567 128.567   2.940 1 T          3.608e+00  0.00e+00 a   0 -         -         -          
 110   7.563 128.584   2.584 1 T          1.984e+01  0.00e+00 a   0 -         -         -          
 111   7.563 128.585   2.263 1 T          1.020e+01  0.00e+00 a   0 -         -         -          
 112   7.565 128.605   1.002 1 T          2.131e+00  0.00e+00 a   0 -         -         -          
 113   7.563 128.607   9.119 1 T          1.683e+00  0.00e+00 a   0 -         -         -          
 114   7.562 128.591   8.690 1 T          2.517e+00  0.00e+00 a   0 -         -         -          
 115   7.560 128.602   6.381 1 T          2.228e+00  0.00e+00 a   0 -         -         -          
 116   7.602 125.176   8.804 1 T          1.798e+01  0.00e+00 a   0 -         -         -          
 117   7.607 125.414   9.160 1 T          2.025e+00  0.00e+00 a   0 -         -         -          
 118   7.600 125.158   7.593 1 T          2.229e+02  0.00e+00 a   0 -         -         -          
 119   7.604 125.174   9.155 1 T          3.403e+00  0.00e+00 a   0 -         -         -          
 120   7.600 125.201   4.783 1 T          7.002e+00  0.00e+00 a   0 -         -         -          
 121   7.600 125.178   4.422 1 T          1.221e+01  0.00e+00 a   0 -         -         -          
 122   7.600 125.173   4.155 1 T          1.029e+01  0.00e+00 a   0 -         -         -          
 123   7.601 125.181   1.465 1 T          1.917e+01  0.00e+00 a   0 -         -         -          
 124   7.602 125.167   1.143 1 T          3.404e+00  0.00e+00 a   0 -         -         -          
 125   7.604 125.208   0.903 1 T          3.150e+00  0.00e+00 a   0 -         -         -          
 126   7.604 125.061   0.602 1 T          1.999e+00  0.00e+00 a   0 -         -         -          
 127   7.607 125.414   9.160 1 T          2.025e+00  0.00e+00 a   0 -         -         -          
 128   7.607 125.414   9.160 1 T          2.025e+00  0.00e+00 a   0 -         -         -          
 129   7.607 125.414   9.160 1 T          2.025e+00  0.00e+00 a   0 -         -         -          
 130   7.597 125.174   5.082 1 T          3.403e+00  0.00e+00 a   0 -         -         -          
 131   7.953 124.718   9.338 1 T          1.976e+00  0.00e+00 a   0 -         -         -          
 132   7.955 124.655   7.966 1 T          1.524e+02  0.00e+00 a   0 -         -         -          
 133   7.955 124.672   2.083 1 T          7.403e+00  0.00e+00 a   0 -         -         -          
 134   7.955 124.661   4.639 1 T          2.619e+01  0.00e+00 a   0 -         -         -          
 135   7.951 124.641   3.765 1 T          2.869e+00  0.00e+00 a   0 -         -         -          
 136   7.952 124.694   4.329 1 T          1.741e+00  0.00e+00 a   0 -         -         -          
 137   7.955 124.652   1.875 1 T          2.145e+01  0.00e+00 a   0 -         -         -          
 138   7.954 124.569   0.447 1 T          3.750e+00  0.00e+00 a   0 -         -         -          
 139   7.954 124.672   5.458 1 T          7.403e+00  0.00e+00 a   0 -         -         -          
 140   8.534 125.023   8.531 1 T          3.393e+02  0.00e+00 a   0 -         -         -          
 141   8.537 125.018   7.003 1 T          3.225e+00  0.00e+00 a   0 -         -         -          
 142   8.534 125.009   6.378 1 T          4.868e+00  0.00e+00 a   0 -         -         -          
 143   8.533 125.044   7.586 1 T          3.180e+00  0.00e+00 a   0 -         -         -          
 144   8.534 125.024   4.594 1 T          1.339e+02  0.00e+00 a   0 -         -         -          
 145   8.534 125.031   8.314 1 T          2.109e+01  0.00e+00 a   0 -         -         -          
 146   8.533 125.031   4.131 1 T          2.109e+01  0.00e+00 a   0 -         -         -          
 147   8.534 125.030   2.789 1 T          5.491e+01  0.00e+00 a   0 -         -         -          
 148   8.535 125.030   2.555 1 T          4.873e+01  0.00e+00 a   0 -         -         -          
 149   8.534 125.013   4.806 1 T          8.546e+00  0.00e+00 a   0 -         -         -          
 150   8.534 125.038   1.497 1 T          2.944e+00  0.00e+00 a   0 -         -         -          
 151   8.528 124.917  -0.457 1 T          2.529e+00  0.00e+00 a   0 -         -         -          
 152   8.528 124.967  -0.728 1 T          2.634e+00  0.00e+00 a   0 -         -         -          
 153   8.534 125.013   2.275 1 T          8.546e+00  0.00e+00 a   0 -         -         -          
 154   7.839 123.880   7.838 1 T          4.940e+02  0.00e+00 a   0 -         -         -          
 155   7.839 123.882   7.294 1 T          3.694e+01  0.00e+00 a   0 -         -         -          
 156   7.839 123.883   6.995 1 T          7.641e+01  0.00e+00 a   0 -         -         -          
 157   7.841 123.852   6.373 1 T          4.915e+00  0.00e+00 a   0 -         -         -          
 158   7.839 123.871   8.279 1 T          1.017e+01  0.00e+00 a   0 -         -         -          
 159   7.839 123.883   4.163 1 T          1.037e+02  0.00e+00 a   0 -         -         -          
 160   7.838 123.909   3.796 1 T          3.406e+00  0.00e+00 a   0 -         -         -          
 161   7.835 123.839   2.893 1 T          2.556e+00  0.00e+00 a   0 -         -         -          
 162   7.837 123.873   2.590 1 T          3.821e+00  0.00e+00 a   0 -         -         -          
 163   7.839 123.888   1.448 1 T          1.241e+01  0.00e+00 a   0 -         -         -          
 164   7.839 123.881   1.208 1 T          2.807e+01  0.00e+00 a   0 -         -         -          
 165   7.838 123.888   1.875 1 T          1.241e+01  0.00e+00 a   0 -         -         -          
 166   7.353 123.808   7.347 1 T          4.501e+02  0.00e+00 a   0 -         -         -          
 167   7.353 123.811   8.321 1 T          6.552e+01  0.00e+00 a   0 -         -         -          
 168   7.354 123.885   4.731 1 T          2.776e+00  0.00e+00 a   0 -         -         -          
 169   7.353 123.807   4.003 1 T          4.586e+01  0.00e+00 a   0 -         -         -          
 170   7.355 123.822   3.705 1 T          1.064e+01  0.00e+00 a   0 -         -         -          
 171   7.352 123.810   3.124 1 T          3.030e+01  0.00e+00 a   0 -         -         -          
 172   7.354 123.857   1.835 1 T          4.052e+00  0.00e+00 a   0 -         -         -          
 173   7.354 123.815   1.274 1 T          3.516e+01  0.00e+00 a   0 -         -         -          
 174   7.354 123.803   0.532 1 T          4.871e+01  0.00e+00 a   0 -         -         -          
 175   8.557 123.516   8.545 1 T          6.043e+01  0.00e+00 a   0 -         -         -          
 176   8.559 123.525   8.267 1 T          1.712e+01  0.00e+00 a   0 -         -         -          
 177   8.551 123.614   4.676 1 T          4.348e+00  0.00e+00 a   0 -         -         -          
 178   8.557 123.530   4.352 1 T          2.777e+01  0.00e+00 a   0 -         -         -          
 179   8.555 123.527   3.980 1 T          7.911e+00  0.00e+00 a   0 -         -         -          
 180   8.558 123.422   2.002 1 T          2.698e+00  0.00e+00 a   0 -         -         -          
 181   8.557 123.586  -0.162 1 T          2.356e+00  0.00e+00 a   0 -         -         -          
 182   8.551 123.431  -0.852 1 T          2.538e+00  0.00e+00 a   0 -         -         -          
 183   8.487 122.985   8.501 1 T          9.811e+01  0.00e+00 a   0 -         -         -          
 184   8.486 122.990   8.213 1 T          4.952e+00  0.00e+00 a   0 -         -         -          
 185   8.484 122.990   4.830 1 T          4.952e+00  0.00e+00 a   0 -         -         -          
 186   8.491 122.987   4.575 1 T          2.770e+01  0.00e+00 a   0 -         -         -          
 187   8.490 122.965   2.658 1 T          7.806e+00  0.00e+00 a   0 -         -         -          
 188   8.487 123.038   1.343 1 T          4.246e+00  0.00e+00 a   0 -         -         -          
 189   8.495 122.888   0.628 1 T          3.009e+00  0.00e+00 a   0 -         -         -          
 190   9.043 123.060   9.046 1 T          6.520e+01  0.00e+00 a   0 -         -         -          
 191   9.046 123.059  10.292 1 T          1.847e+00  0.00e+00 a   0 -         -         -          
 192   9.044 123.071   5.394 1 T          2.548e+01  0.00e+00 a   0 -         -         -          
 193   9.051 123.066   4.962 1 T          5.411e+00  0.00e+00 a   0 -         -         -          
 194   9.039 123.084   4.367 1 T          4.272e+00  0.00e+00 a   0 -         -         -          
 195   9.047 123.050   1.901 1 T          1.185e+01  0.00e+00 a   0 -         -         -          
 196   9.043 123.056   1.471 1 T          4.697e+00  0.00e+00 a   0 -         -         -          
 197   9.043 123.100   1.001 1 T          5.020e+00  0.00e+00 a   0 -         -         -          
 198   9.047 123.042   0.120 1 T          5.123e+00  0.00e+00 a   0 -         -         -          
 199   8.925 121.821   8.917 1 T          1.768e+02  0.00e+00 a   0 -         -         -          
 200   8.930 121.775   9.350 1 T          4.418e+00  0.00e+00 a   0 -         -         -          
 201   8.925 121.987  10.247 1 T          2.648e+00  0.00e+00 a   0 -         -         -          
 202   8.928 121.783   7.753 1 T          1.981e+00  0.00e+00 a   0 -         -         -          
 203   8.930 121.753   7.284 1 T          4.924e+00  0.00e+00 a   0 -         -         -          
 204   8.924 121.811   5.583 1 T          1.650e+01  0.00e+00 a   0 -         -         -          
 205   8.926 121.826   5.344 1 T          5.805e+01  0.00e+00 a   0 -         -         -          
 206   8.922 121.819   3.391 1 T          8.495e+00  0.00e+00 a   0 -         -         -          
 207   8.924 121.783   2.930 1 T          3.855e+00  0.00e+00 a   0 -         -         -          
 208   8.926 121.824   1.906 1 T          2.304e+01  0.00e+00 a   0 -         -         -          
 209   8.927 121.753   1.299 1 T          2.356e+00  0.00e+00 a   0 -         -         -          
 210   8.929 121.792   1.010 1 T          2.190e+00  0.00e+00 a   0 -         -         -          
 211   8.931 121.660   8.412 1 T          1.935e+00  0.00e+00 a   0 -         -         -          
 212   9.021 121.124   9.015 1 T          4.732e+01  0.00e+00 a   0 -         -         -          
 213   9.024 121.122   8.585 1 T          1.131e+01  0.00e+00 a   0 -         -         -          
 214   9.021 121.129   7.473 1 T          3.622e+00  0.00e+00 a   0 -         -         -          
 215   9.021 121.127   4.019 1 T          4.789e+00  0.00e+00 a   0 -         -         -          
 216   9.022 121.157   2.648 1 T          3.172e+00  0.00e+00 a   0 -         -         -          
 217   9.023 121.141   1.649 1 T          1.086e+01  0.00e+00 a   0 -         -         -          
 218   9.026 121.125   0.830 1 T          3.501e+00  0.00e+00 a   0 -         -         -          
 219   9.221 120.679   9.225 1 T          5.827e+01  0.00e+00 a   0 -         -         -          
 220   9.222 120.649   7.662 1 T          2.039e+00  0.00e+00 a   0 -         -         -          
 221   9.223 120.692   4.823 1 T          2.748e+00  0.00e+00 a   0 -         -         -          
 222   9.223 120.674   4.504 1 T          1.156e+01  0.00e+00 a   0 -         -         -          
 223   9.222 120.677   4.095 1 T          1.730e+01  0.00e+00 a   0 -         -         -          
 224   9.224 120.653   2.128 1 T          4.201e+00  0.00e+00 a   0 -         -         -          
 225   9.221 120.692   1.805 1 T          1.705e+01  0.00e+00 a   0 -         -         -          
 226   9.223 120.658   1.450 1 T          8.058e+00  0.00e+00 a   0 -         -         -          
 227   9.090 119.750   9.087 1 T          4.483e+01  0.00e+00 a   0 -         -         -          
 228   9.097 119.783   8.486 1 T          3.678e+00  0.00e+00 a   0 -         -         -          
 229   9.093 119.774   8.181 1 T          1.024e+01  0.00e+00 a   0 -         -         -          
 230   9.089 119.711   7.916 1 T          4.386e+00  0.00e+00 a   0 -         -         -          
 231   9.095 119.790   7.342 1 T          3.314e+00  0.00e+00 a   0 -         -         -          
 232   9.087 119.669   4.063 1 T          2.248e+00  0.00e+00 a   0 -         -         -          
 233   9.093 119.772   3.243 1 T          9.419e+00  0.00e+00 a   0 -         -         -          
 234   9.120 118.764   9.119 1 T          1.375e+02  0.00e+00 a   0 -         -         -          
 235   9.125 118.684   8.439 1 T          2.066e+00  0.00e+00 a   0 -         -         -          
 236   9.121 118.752   5.682 1 T          2.933e+01  0.00e+00 a   0 -         -         -          
 237   9.122 118.788   4.927 1 T          8.986e+00  0.00e+00 a   0 -         -         -          
 238   9.119 118.780   4.624 1 T          2.283e+00  0.00e+00 a   0 -         -         -          
 239   9.120 118.773   3.829 1 T          1.539e+01  0.00e+00 a   0 -         -         -          
 240   9.119 118.754   3.091 1 T          6.575e+00  0.00e+00 a   0 -         -         -          
 241   9.119 118.771   0.971 1 T          5.095e+00  0.00e+00 a   0 -         -         -          
 242   9.113 115.379   9.124 1 T          1.267e+02  0.00e+00 a   0 -         -         -          
 243   9.121 115.239   7.488 1 T          2.484e+00  0.00e+00 a   0 -         -         -          
 244   9.124 115.363   5.681 1 T          2.277e+00  0.00e+00 a   0 -         -         -          
 245   9.112 115.385   5.141 1 T          2.935e+01  0.00e+00 a   0 -         -         -          
 246   9.121 115.389   4.833 1 T          7.362e+00  0.00e+00 a   0 -         -         -          
 247   9.112 115.387   4.285 1 T          6.860e+00  0.00e+00 a   0 -         -         -          
 248   9.113 115.399   3.793 1 T          3.663e+00  0.00e+00 a   0 -         -         -          
 249   9.108 115.379   3.217 1 T          9.877e+00  0.00e+00 a   0 -         -         -          
 250   9.109 115.379   1.219 1 T          6.913e+00  0.00e+00 a   0 -         -         -          
 251   9.112 115.399   0.951 1 T          3.663e+00  0.00e+00 a   0 -         -         -          
 252   9.019 115.515   9.008 1 T          9.485e+01  0.00e+00 a   0 -         -         -          
 253   9.020 115.506   9.338 1 T          6.678e+00  0.00e+00 a   0 -         -         -          
 254   9.021 115.687   7.973 1 T          2.273e+00  0.00e+00 a   0 -         -         -          
 255   9.019 115.552   7.226 1 T          5.427e+00  0.00e+00 a   0 -         -         -          
 256   9.019 115.515   5.897 1 T          1.812e+01  0.00e+00 a   0 -         -         -          
 257   9.019 115.505   5.364 1 T          2.494e+00  0.00e+00 a   0 -         -         -          
 258   9.019 115.531   4.626 1 T          4.861e+00  0.00e+00 a   0 -         -         -          
 259   9.017 115.519   4.334 1 T          1.805e+01  0.00e+00 a   0 -         -         -          
 260   9.020 115.502   3.819 1 T          2.585e+00  0.00e+00 a   0 -         -         -          
 261   9.019 115.492   1.207 1 T          8.714e+00  0.00e+00 a   0 -         -         -          
 262   9.019 115.501   0.449 1 T          6.018e+00  0.00e+00 a   0 -         -         -          
 263   8.840 116.804   8.840 1 T          7.792e+01  0.00e+00 a   0 -         -         -          
 264   8.840 116.796   9.076 1 T          2.090e+01  0.00e+00 a   0 -         -         -          
 265   8.841 116.809   5.508 1 T          2.550e+01  0.00e+00 a   0 -         -         -          
 266   8.846 116.714   4.406 1 T          2.239e+00  0.00e+00 a   0 -         -         -          
 267   8.846 116.789   2.018 1 T          3.924e+00  0.00e+00 a   0 -         -         -          
 268   8.840 116.845   0.723 1 T          4.644e+00  0.00e+00 a   0 -         -         -          
 269   8.838 116.823   0.117 1 T          2.353e+00  0.00e+00 a   0 -         -         -          
 270   8.288 116.290   8.283 1 T          4.353e+02  0.00e+00 a   0 -         -         -          
 271   8.289 116.293   7.337 1 T          4.300e+01  0.00e+00 a   0 -         -         -          
 272   8.289 116.283   4.755 1 T          8.400e+00  0.00e+00 a   0 -         -         -          
 273   8.290 116.291   3.995 1 T          6.029e+01  0.00e+00 a   0 -         -         -          
 274   8.289 116.290   3.711 1 T          2.460e+01  0.00e+00 a   0 -         -         -          
 275   8.290 116.294   3.086 1 T          6.805e+00  0.00e+00 a   0 -         -         -          
 276   8.290 116.257   1.768 1 T          3.001e+00  0.00e+00 a   0 -         -         -          
 277   8.289 116.289   1.275 1 T          5.448e+01  0.00e+00 a   0 -         -         -          
 278   8.293 116.271   0.525 1 T          3.526e+00  0.00e+00 a   0 -         -         -          
 279   8.291 116.298  -0.999 1 T          2.130e+00  0.00e+00 a   0 -         -         -          
 280   8.361 116.718   8.354 1 T          3.768e+02  0.00e+00 a   0 -         -         -          
 281   8.363 116.658   7.658 1 T          3.081e+00  0.00e+00 a   0 -         -         -          
 282   8.362 116.723   7.349 1 T          3.412e+01  0.00e+00 a   0 -         -         -          
 283   8.362 116.728   6.919 1 T          2.275e+01  0.00e+00 a   0 -         -         -          
 284   8.363 116.729   6.582 1 T          3.806e+00  0.00e+00 a   0 -         -         -          
 285   8.362 116.726   3.980 1 T          1.317e+01  0.00e+00 a   0 -         -         -          
 286   8.365 116.728   3.681 1 T          4.487e+00  0.00e+00 a   0 -         -         -          
 287   8.361 116.720   3.103 1 T          1.251e+01  0.00e+00 a   0 -         -         -          
 288   8.362 116.726   2.785 1 T          2.797e+01  0.00e+00 a   0 -         -         -          
 289   8.362 116.727   1.859 1 T          4.778e+01  0.00e+00 a   0 -         -         -          
 290   8.363 116.727   1.587 1 T          1.618e+01  0.00e+00 a   0 -         -         -          
 291   8.362 116.712   1.261 1 T          9.530e+00  0.00e+00 a   0 -         -         -          
 292   8.362 116.712   0.535 1 T          2.375e+01  0.00e+00 a   0 -         -         -          
 293   8.127 117.063   8.128 1 T          5.482e+02  0.00e+00 a   0 -         -         -          
 294   8.126 117.043   9.303 1 T          4.433e+00  0.00e+00 a   0 -         -         -          
 295   8.128 117.072   5.463 1 T          3.827e+00  0.00e+00 a   0 -         -         -          
 296   8.126 117.064   4.693 1 T          1.297e+02  0.00e+00 a   0 -         -         -          
 297   8.126 117.060   3.893 1 T          8.609e+01  0.00e+00 a   0 -         -         -          
 298   8.125 117.040   2.379 1 T          4.397e+00  0.00e+00 a   0 -         -         -          
 299   8.126 117.062   1.912 1 T          3.457e+01  0.00e+00 a   0 -         -         -          
 300   8.126 117.068   1.204 1 T          1.421e+01  0.00e+00 a   0 -         -         -          
 301   8.127 117.070   0.892 1 T          2.932e+00  0.00e+00 a   0 -         -         -          
 302   7.440 120.941   9.014 1 T          2.300e+00  0.00e+00 a   0 -         -         -          
 303   7.446 120.933   8.445 1 T          1.699e+01  0.00e+00 a   0 -         -         -          
 304   7.447 120.969   7.965 1 T          3.978e+00  0.00e+00 a   0 -         -         -          
 305   7.445 120.948   7.448 1 T          2.797e+02  0.00e+00 a   0 -         -         -          
 306   7.444 120.946   6.907 1 T          1.932e+01  0.00e+00 a   0 -         -         -          
 307   7.443 120.850   6.573 1 T          2.684e+00  0.00e+00 a   0 -         -         -          
 309   7.447 120.961   3.546 1 T          1.488e+01  0.00e+00 a   0 -         -         -          
 310   7.446 120.960   3.116 1 T          5.611e+00  0.00e+00 a   0 -         -         -          
 311   7.448 120.925   2.743 1 T          2.099e+00  0.00e+00 a   0 -         -         -          
 312   7.446 120.949   1.754 1 T          4.820e+01  0.00e+00 a   0 -         -         -          
 313   7.446 120.938   1.227 1 T          6.234e+00  0.00e+00 a   0 -         -         -          
 314   7.447 120.950   0.858 1 T          3.877e+01  0.00e+00 a   0 -         -         -          
 315   7.518 118.705   8.991 1 T          6.455e+00  0.00e+00 a   0 -         -         -          
 316   7.517 118.717   7.950 1 T          1.021e+01  0.00e+00 a   0 -         -         -          
 317   7.515 118.704   7.525 1 T          1.204e+02  0.00e+00 a   0 -         -         -          
 318   7.515 118.700   4.019 1 T          1.262e+01  0.00e+00 a   0 -         -         -          
 319   7.513 118.730   3.567 1 T          3.738e+00  0.00e+00 a   0 -         -         -          
 320   7.516 118.713   2.167 1 T          2.315e+01  0.00e+00 a   0 -         -         -          
 321   7.514 118.697   1.643 1 T          8.999e+00  0.00e+00 a   0 -         -         -          
 322   8.465 114.342   8.464 1 T          3.628e+02  0.00e+00 a   0 -         -         -          
 323   8.465 114.341   7.261 1 T          2.210e+01  0.00e+00 a   0 -         -         -          
 324   8.465 114.342   4.889 1 T          6.798e+01  0.00e+00 a   0 -         -         -          
 325   8.464 114.356   4.463 1 T          2.717e+00  0.00e+00 a   0 -         -         -          
 326   8.464 114.343   4.137 1 T          2.246e+01  0.00e+00 a   0 -         -         -          
 327   8.464 114.343   2.145 1 T          2.729e+01  0.00e+00 a   0 -         -         -          
 328   8.461 114.365   1.852 1 T          4.986e+00  0.00e+00 a   0 -         -         -          
 329   8.464 114.339   1.288 1 T          3.739e+01  0.00e+00 a   0 -         -         -          
 330   8.465 114.347   0.950 1 T          8.070e+01  0.00e+00 a   0 -         -         -          
 331   8.469 114.355   7.522 1 T          3.380e+00  0.00e+00 a   0 -         -         -          
 332   7.878 114.958   7.870 1 T          5.346e+01  0.00e+00 a   0 -         -         -          
 333   7.878 114.968   7.231 1 T          1.193e+01  0.00e+00 a   0 -         -         -          
 334   7.879 114.994   6.848 1 T          2.933e+01  0.00e+00 a   0 -         -         -          
 335   7.875 114.923   2.439 1 T          2.326e+00  0.00e+00 a   0 -         -         -          
 336   7.876 115.082  -1.611 1 T          2.031e+00  0.00e+00 a   0 -         -         -          
 337   7.420 115.682   7.414 1 T          4.914e+01  0.00e+00 a   0 -         -         -          
 338   7.421 115.745   7.096 1 T          2.782e+00  0.00e+00 a   0 -         -         -          
 339   7.417 115.759   6.775 1 T          2.223e+00  0.00e+00 a   0 -         -         -          
 340   7.419 115.655   4.683 1 T          4.345e+00  0.00e+00 a   0 -         -         -          
 341   7.422 115.682   2.774 1 T          7.558e+00  0.00e+00 a   0 -         -         -          
 342   7.411 115.664   2.202 1 T          4.105e+00  0.00e+00 a   0 -         -         -          
 343   7.423 115.712   7.803 1 T          7.298e+00  0.00e+00 a   0 -         -         -          
 344   7.421 115.686   8.095 1 T          1.149e+01  0.00e+00 a   0 -         -         -          
 345   7.421 115.687   8.712 1 T          4.225e+00  0.00e+00 a   0 -         -         -          
 346   6.906 116.498   6.903 1 T          3.543e+02  0.00e+00 a   0 -         -         -          
 347   6.907 116.500   7.443 1 T          2.199e+01  0.00e+00 a   0 -         -         -          
 348   6.907 116.488   8.353 1 T          1.497e+01  0.00e+00 a   0 -         -         -          
 349   6.908 116.463   3.973 1 T          4.884e+00  0.00e+00 a   0 -         -         -          
 350   6.906 116.493   3.708 1 T          3.631e+01  0.00e+00 a   0 -         -         -          
 351   6.907 116.498   3.116 1 T          2.365e+00  0.00e+00 a   0 -         -         -          
 352   6.906 116.482   2.778 1 T          6.317e+00  0.00e+00 a   0 -         -         -          
 353   6.907 116.493   1.824 1 T          8.706e+01  0.00e+00 a   0 -         -         -          
 354   6.908 116.495   1.576 1 T          2.655e+01  0.00e+00 a   0 -         -         -          
 355   6.907 116.507   1.284 1 T          8.786e+00  0.00e+00 a   0 -         -         -          
 356   6.907 116.549   0.864 1 T          3.590e+00  0.00e+00 a   0 -         -         -          
 357   6.858 114.980   6.849 1 T          1.026e+02  0.00e+00 a   0 -         -         -          
 358   6.858 115.006   7.220 1 T          8.939e+00  0.00e+00 a   0 -         -         -          
 359   6.857 114.993   7.866 1 T          4.148e+01  0.00e+00 a   0 -         -         -          
 360   6.858 114.824   7.629 1 T          3.293e+00  0.00e+00 a   0 -         -         -          
 361   6.744 114.798   6.510 1 T          2.269e+01  0.00e+00 a   0 -         -         -          
 362   6.743 114.796   6.749 1 T          3.037e+01  0.00e+00 a   0 -         -         -          
 363   6.742 114.840   7.525 1 T          6.070e+00  0.00e+00 a   0 -         -         -          
 364   6.743 114.824   2.215 1 T          3.293e+00  0.00e+00 a   0 -         -         -          
 365   6.489 114.851   7.561 1 T          5.852e+00  0.00e+00 a   0 -         -         -          
 366   6.491 114.796   6.749 1 T          2.972e+01  0.00e+00 a   0 -         -         -          
 367   6.490 114.775   6.505 1 T          2.928e+01  0.00e+00 a   0 -         -         -          
 368   7.252 113.574   7.256 1 T          5.251e+02  0.00e+00 a   0 -         -         -          
 369   7.252 113.572   8.457 1 T          2.785e+01  0.00e+00 a   0 -         -         -          
 370   7.252 113.578   4.685 1 T          2.161e+01  0.00e+00 a   0 -         -         -          
 371   7.252 113.583   4.379 1 T          2.465e+00  0.00e+00 a   0 -         -         -          
 372   7.252 113.573   4.018 1 T          3.633e+01  0.00e+00 a   0 -         -         -          
 373   7.252 113.547   3.697 1 T          5.088e+00  0.00e+00 a   0 -         -         -          
 374   7.252 113.577   3.049 1 T          1.451e+01  0.00e+00 a   0 -         -         -          
 375   7.251 113.576   2.155 1 T          7.546e+00  0.00e+00 a   0 -         -         -          
 376   7.252 113.578   1.276 1 T          4.121e+01  0.00e+00 a   0 -         -         -          
 377   7.252 113.571   0.952 1 T          3.814e+01  0.00e+00 a   0 -         -         -          
 378   7.252 113.573   0.593 1 T          3.721e+00  0.00e+00 a   0 -         -         -          
 379   7.997 113.348   9.841 1 T          1.446e+01  0.00e+00 a   0 -         -         -          
 380   7.997 113.369   8.001 1 T          5.706e+01  0.00e+00 a   0 -         -         -          
 381   7.998 113.352   5.904 1 T          3.553e+00  0.00e+00 a   0 -         -         -          
 382   7.997 113.299   5.666 1 T          2.906e+00  0.00e+00 a   0 -         -         -          
 383   7.996 113.343   4.819 1 T          4.613e+00  0.00e+00 a   0 -         -         -          
 384   8.000 113.249   4.212 1 T          2.499e+00  0.00e+00 a   0 -         -         -          
 385   7.996 113.403   3.891 1 T          3.989e+00  0.00e+00 a   0 -         -         -          
 386   7.995 113.442   1.191 1 T          3.792e+00  0.00e+00 a   0 -         -         -          
 387   7.671 111.990   7.296 1 T          4.910e+00  0.00e+00 a   0 -         -         -          
 388   7.674 111.976   7.668 1 T          2.144e+02  0.00e+00 a   0 -         -         -          
 389   7.674 111.982   6.960 1 T          1.418e+02  0.00e+00 a   0 -         -         -          
 390   7.674 111.948   4.707 1 T          3.181e+00  0.00e+00 a   0 -         -         -          
 391   7.673 111.954   2.948 1 T          8.694e+00  0.00e+00 a   0 -         -         -          
 392   7.674 111.948   4.823 1 T          3.181e+00  0.00e+00 a   0 -         -         -          
 393   7.310 110.983   7.315 1 T          3.163e+02  0.00e+00 a   0 -         -         -          
 394   7.310 110.979   7.833 1 T          2.749e+01  0.00e+00 a   0 -         -         -          
 395   7.309 110.989   6.386 1 T          6.276e+00  0.00e+00 a   0 -         -         -          
 396   7.310 110.978   7.552 1 T          1.212e+01  0.00e+00 a   0 -         -         -          
 397   7.310 110.954   4.744 1 T          2.215e+00  0.00e+00 a   0 -         -         -          
 398   7.310 110.978   4.178 1 T          2.434e+01  0.00e+00 a   0 -         -         -          
 399   7.309 110.985   3.786 1 T          3.656e+01  0.00e+00 a   0 -         -         -          
 400   7.310 110.984   2.601 1 T          9.385e+00  0.00e+00 a   0 -         -         -          
 401   7.306 110.977   2.265 1 T          3.858e+00  0.00e+00 a   0 -         -         -          
 402   7.308 111.011   1.893 1 T          3.659e+00  0.00e+00 a   0 -         -         -          
 403   7.310 110.989   1.018 1 T          9.427e+00  0.00e+00 a   0 -         -         -          
 404   7.310 110.978   5.597 1 T          1.212e+01  0.00e+00 a   0 -         -         -          
 405   7.225 111.832   7.221 1 T          3.254e+02  0.00e+00 a   0 -         -         -          
 406   7.225 111.843   6.798 1 T          1.924e+02  0.00e+00 a   0 -         -         -          
 407   7.222 111.988   5.278 1 T          1.903e+00  0.00e+00 a   0 -         -         -          
 408   7.224 111.836   4.755 1 T          3.777e+00  0.00e+00 a   0 -         -         -          
 409   7.226 111.848   2.943 1 T          1.056e+01  0.00e+00 a   0 -         -         -          
 410   7.223 111.830   2.534 1 T          7.010e+00  0.00e+00 a   0 -         -         -          
 411   7.225 111.842   1.227 1 T          7.223e+00  0.00e+00 a   0 -         -         -          
 412   7.224 111.834   0.958 1 T          1.197e+01  0.00e+00 a   0 -         -         -          
 413   6.974 111.980   7.672 1 T          7.996e+01  0.00e+00 a   0 -         -         -          
 414   6.975 111.973   6.960 1 T          9.068e+01  0.00e+00 a   0 -         -         -          
 415   6.978 111.910   4.781 1 T          2.639e+00  0.00e+00 a   0 -         -         -          
 416   6.970 111.860   2.962 1 T          3.118e+00  0.00e+00 a   0 -         -         -          
 417   6.804 111.848   7.220 1 T          2.172e+02  0.00e+00 a   0 -         -         -          
 418   6.805 111.842   6.794 1 T          3.603e+02  0.00e+00 a   0 -         -         -          
 419   6.806 111.859   4.763 1 T          4.013e+00  0.00e+00 a   0 -         -         -          
 420   6.805 111.841   2.961 1 T          4.905e+00  0.00e+00 a   0 -         -         -          
 421   6.805 111.829   2.541 1 T          3.358e+00  0.00e+00 a   0 -         -         -          
 422   6.805 111.872   1.249 1 T          5.384e+00  0.00e+00 a   0 -         -         -          
 423   6.805 111.869   0.945 1 T          9.147e+00  0.00e+00 a   0 -         -         -          
 424   7.897 110.278   8.921 1 T          2.820e+00  0.00e+00 a   0 -         -         -          
 425   7.893 110.239   7.889 1 T          8.200e+01  0.00e+00 a   0 -         -         -          
 426   7.895 110.232   7.635 1 T          2.048e+01  0.00e+00 a   0 -         -         -          
 427   7.893 110.240   5.251 1 T          1.827e+01  0.00e+00 a   0 -         -         -          
 428   7.890 110.308   4.784 1 T          3.629e+00  0.00e+00 a   0 -         -         -          
 429   7.891 110.213   4.497 1 T          8.043e+00  0.00e+00 a   0 -         -         -          
 430   7.893 110.231   4.081 1 T          1.595e+01  0.00e+00 a   0 -         -         -          
 431   7.896 110.257   1.424 1 T          4.070e+00  0.00e+00 a   0 -         -         -          
 432   7.895 110.252   0.641 1 T          5.173e+00  0.00e+00 a   0 -         -         -          
 433   7.833 108.577   7.835 1 T          8.293e+01  0.00e+00 a   0 -         -         -          
 434   7.833 108.576   8.059 1 T          2.603e+01  0.00e+00 a   0 -         -         -          
 435   7.832 108.577   7.423 1 T          7.864e+00  0.00e+00 a   0 -         -         -          
 436   7.831 108.557   4.712 1 T          4.331e+00  0.00e+00 a   0 -         -         -          
 437   7.832 108.573   3.908 1 T          2.258e+01  0.00e+00 a   0 -         -         -          
 438   7.830 108.598  -1.631 1 T          1.872e+00  0.00e+00 a   0 -         -         -          
 439   8.346 109.619   8.351 1 T          1.748e+02  0.00e+00 a   0 -         -         -          
 440   8.346 109.625   5.110 1 T          3.420e+01  0.00e+00 a   0 -         -         -          
 441   8.346 109.408   4.768 1 T          1.035e+01  0.00e+00 a   0 -         -         -          
 442   8.346 109.641   4.195 1 T          1.727e+01  0.00e+00 a   0 -         -         -          
 443   8.343 109.396   3.849 1 T          5.807e+00  0.00e+00 a   0 -         -         -          
 444   8.345 109.626   1.878 1 T          7.465e+00  0.00e+00 a   0 -         -         -          
 445   8.345 109.648   1.445 1 T          1.828e+01  0.00e+00 a   0 -         -         -          
 446   8.349 109.641   0.651 1 T          5.037e+00  0.00e+00 a   0 -         -         -          
 447   8.347 109.703  -1.120 1 T          2.136e+00  0.00e+00 a   0 -         -         -          
 448   8.346 109.419   8.351 1 T          1.748e+02  0.00e+00 a   0 -         -         -          
 449   8.822 109.519   7.594 1 T          9.137e+00  0.00e+00 a   0 -         -         -          
 450   8.822 109.542   8.813 1 T          1.777e+01  0.00e+00 a   0 -         -         -          
 451   8.821 109.632   1.775 1 T          2.700e+00  0.00e+00 a   0 -         -         -          
 452   8.817 109.549   4.149 1 T          2.311e+00  0.00e+00 a   0 -         -         -          
 453   8.211 106.639   8.206 1 T          3.139e+02  0.00e+00 a   0 -         -         -          
 454   8.208 106.639  10.461 1 T          3.048e+00  0.00e+00 a   0 -         -         -          
 455   8.211 106.624   7.068 1 T          7.205e+00  0.00e+00 a   0 -         -         -          
 456   8.210 106.669   4.144 1 T          1.106e+01  0.00e+00 a   0 -         -         -          
 457   8.211 106.648   3.676 1 T          9.572e+00  0.00e+00 a   0 -         -         -          
 458   8.209 106.663   2.666 1 T          6.692e+00  0.00e+00 a   0 -         -         -          
 459   8.201 106.621  -0.205 1 T          2.286e+00  0.00e+00 a   0 -         -         -          
 460   6.983 103.220   6.981 1 T          3.248e+02  0.00e+00 a   0 -         -         -          
 461   6.985 103.205   7.279 1 T          1.329e+01  0.00e+00 a   0 -         -         -          
 462   6.985 103.229   7.836 1 T          4.969e+01  0.00e+00 a   0 -         -         -          
 463   6.983 103.216   8.284 1 T          2.652e+01  0.00e+00 a   0 -         -         -          
 464   6.987 103.221   4.376 1 T          2.182e+01  0.00e+00 a   0 -         -         -          
 465   6.980 103.223   4.127 1 T          1.651e+01  0.00e+00 a   0 -         -         -          
 466   6.981 103.215   2.575 1 T          3.705e+00  0.00e+00 a   0 -         -         -          
 467   6.984 103.225   1.485 1 T          2.055e+01  0.00e+00 a   0 -         -         -          
 468   6.990 103.187   1.784 1 T          2.971e+00  0.00e+00 a   0 -         -         -          
 469   6.985 103.220   1.063 1 T          2.434e+01  0.00e+00 a   0 -         -         -          
 470   6.986 103.169  -1.247 1 T          3.537e+00  0.00e+00 a   0 -         -         -          
 471   6.981 103.262  -1.620 1 T          2.209e+00  0.00e+00 a   0 -         -         -          
 472   6.983 103.128   8.597 1 T          5.640e+00  0.00e+00 a   0 -         -         -          
 473   6.981 103.142   8.899 1 T          2.730e+00  0.00e+00 a   0 -         -         -          
 474   6.974 103.344   9.159 1 T          3.567e+00  0.00e+00 a   0 -         -         -          
 475   7.928 120.614   7.930 1 T          7.137e+01  0.00e+00 a   0 -         -         -          
 476   7.926 120.616   7.524 1 T          1.012e+01  0.00e+00 a   0 -         -         -          
 477   7.927 120.613   7.201 1 T          1.333e+01  0.00e+00 a   0 -         -         -          
 478   7.930 120.632   6.695 1 T          3.482e+00  0.00e+00 a   0 -         -         -          
 479   7.929 120.622   9.069 1 T          6.138e+00  0.00e+00 a   0 -         -         -          
 480   7.925 120.573   8.464 1 T          2.397e+00  0.00e+00 a   0 -         -         -          
 481   7.928 120.597   4.562 1 T          3.475e+00  0.00e+00 a   0 -         -         -          
 482   7.927 120.611   4.270 1 T          6.668e+00  0.00e+00 a   0 -         -         -          
 483   7.926 120.640   3.995 1 T          3.332e+00  0.00e+00 a   0 -         -         -          
 484   7.922 120.582   3.478 1 T          3.484e+00  0.00e+00 a   0 -         -         -          
 485   7.926 120.605   3.221 1 T          1.619e+01  0.00e+00 a   0 -         -         -          
 486   7.930 120.606   2.201 1 T          7.960e+00  0.00e+00 a   0 -         -         -          
 487   7.926 120.593   0.755 1 T          1.886e+00  0.00e+00 a   0 -         -         -          
 488   8.070 122.252   8.060 1 T          1.398e+02  0.00e+00 a   0 -         -         -          
 489   8.069 122.244   5.088 1 T          1.054e+01  0.00e+00 a   0 -         -         -          
 490   8.071 122.256   4.454 1 T          2.321e+01  0.00e+00 a   0 -         -         -          
 491   8.067 122.252   1.713 1 T          7.296e+00  0.00e+00 a   0 -         -         -          
 492   8.068 122.226   1.455 1 T          3.217e+00  0.00e+00 a   0 -         -         -          
 493   8.068 122.226   0.889 1 T          3.217e+00  0.00e+00 a   0 -         -         -          
 494   8.115 120.840   8.109 1 T          7.635e+02  0.00e+00 a   0 -         -         -          
 495   8.116 120.841   1.286 1 T          1.191e+02  0.00e+00 a   0 -         -         -          
 496   8.114 120.361   3.446 1 T          2.330e+00  0.00e+00 a   0 -         -         -          
 497   8.292 119.832   8.286 1 T          1.154e+03  0.00e+00 a   0 -         -         -          
 498   8.293 119.840   7.831 1 T          1.690e+01  0.00e+00 a   0 -         -         -          
 499   8.292 119.860   7.524 1 T          5.388e+00  0.00e+00 a   0 -         -         -          
 500   8.293 119.817   7.261 1 T          7.146e+00  0.00e+00 a   0 -         -         -          
 501   8.292 119.833   6.990 1 T          6.871e+01  0.00e+00 a   0 -         -         -          
 502   8.292 119.836   4.599 1 T          1.589e+01  0.00e+00 a   0 -         -         -          
 503   8.292 119.830   4.092 1 T          9.796e+01  0.00e+00 a   0 -         -         -          
 504   8.292 119.838   2.812 1 T          1.627e+01  0.00e+00 a   0 -         -         -          
 505   8.293 119.826   2.533 1 T          3.511e+01  0.00e+00 a   0 -         -         -          
 506   8.293 119.833   2.262 1 T          4.155e+00  0.00e+00 a   0 -         -         -          
 507   8.292 119.827   1.496 1 T          1.535e+02  0.00e+00 a   0 -         -         -          
 508   8.292 119.843   1.086 1 T          8.482e+00  0.00e+00 a   0 -         -         -          
 509   8.457 119.877   8.455 1 T          1.452e+02  0.00e+00 a   0 -         -         -          
 510   8.455 119.877   7.449 1 T          7.814e+00  0.00e+00 a   0 -         -         -          
 511   8.455 119.850   9.000 1 T          3.901e+00  0.00e+00 a   0 -         -         -          
 512   8.456 119.872   6.578 1 T          2.681e+00  0.00e+00 a   0 -         -         -          
 513   8.455 119.875   4.569 1 T          3.491e+00  0.00e+00 a   0 -         -         -          
 514   8.454 119.804   3.025 1 T          3.386e+00  0.00e+00 a   0 -         -         -          
 515   8.454 119.881   2.668 1 T          6.792e+00  0.00e+00 a   0 -         -         -          
 516   8.451 119.859   1.724 1 T          1.037e+01  0.00e+00 a   0 -         -         -          
 517   8.454 119.834   0.767 1 T          4.702e+00  0.00e+00 a   0 -         -         -          
 518   8.455 119.873   8.135 1 T          1.413e+01  0.00e+00 a   0 -         -         -          
 519   8.447 119.059   8.455 1 T          1.452e+02  0.00e+00 a   0 -         -         -          
 520   8.447 119.028   5.520 1 T          7.387e+00  0.00e+00 a   0 -         -         -          
 521   8.447 119.027   4.795 1 T          5.764e+00  0.00e+00 a   0 -         -         -          
 522   8.447 119.057   4.193 1 T          3.503e+01  0.00e+00 a   0 -         -         -          
 523   8.450 119.095   2.069 1 T          6.714e+00  0.00e+00 a   0 -         -         -          
 524   8.449 119.059   0.758 1 T          2.860e+00  0.00e+00 a   0 -         -         -          
 525   8.554 119.752   8.545 1 T          9.066e+01  0.00e+00 a   0 -         -         -          
 526   8.556 119.715   9.062 1 T          4.651e+00  0.00e+00 a   0 -         -         -          
 527   8.554 119.788   7.418 1 T          2.241e+00  0.00e+00 a   0 -         -         -          
 528   8.551 119.798   4.585 1 T          7.154e+00  0.00e+00 a   0 -         -         -          
 529   8.557 119.761   4.035 1 T          4.468e+00  0.00e+00 a   0 -         -         -          
 530   8.556 119.744   3.222 1 T          4.404e+00  0.00e+00 a   0 -         -         -          
 531   8.555 119.736   2.956 1 T          1.707e+01  0.00e+00 a   0 -         -         -          
 532   8.645 122.046   8.644 1 T          2.597e+02  0.00e+00 a   0 -         -         -          
 533   8.646 122.044   8.108 1 T          1.599e+01  0.00e+00 a   0 -         -         -          
 534   8.645 122.042   7.507 1 T          5.530e+00  0.00e+00 a   0 -         -         -          
 535   8.645 122.044   7.100 1 T          1.161e+01  0.00e+00 a   0 -         -         -          
 536   8.645 122.049   4.694 1 T          5.712e+01  0.00e+00 a   0 -         -         -          
 537   8.638 122.021   4.001 1 T          1.973e+00  0.00e+00 a   0 -         -         -          
 538   8.645 122.046   3.062 1 T          7.203e+01  0.00e+00 a   0 -         -         -          
 539   8.645 122.049   1.137 1 T          6.588e+01  0.00e+00 a   0 -         -         -          
 540   8.709 122.033   8.707 1 T          2.180e+02  0.00e+00 a   0 -         -         -          
 541   8.702 122.066   9.057 1 T          2.762e+00  0.00e+00 a   0 -         -         -          
 542   8.704 122.004   7.531 1 T          2.296e+00  0.00e+00 a   0 -         -         -          
 543   8.707 121.925   5.721 1 T          1.998e+00  0.00e+00 a   0 -         -         -          
 544   8.708 122.018   4.794 1 T          2.603e+01  0.00e+00 a   0 -         -         -          
 545   8.707 121.996   4.541 1 T          6.332e+00  0.00e+00 a   0 -         -         -          
 546   8.708 122.030   4.259 1 T          2.411e+01  0.00e+00 a   0 -         -         -          
 547   8.707 122.025   2.925 1 T          9.607e+00  0.00e+00 a   0 -         -         -          
 548   8.708 122.015   2.579 1 T          1.679e+01  0.00e+00 a   0 -         -         -          
 549   8.707 122.022   1.206 1 T          1.011e+01  0.00e+00 a   0 -         -         -          
 550   8.725 121.006   8.717 1 T          9.084e+01  0.00e+00 a   0 -         -         -          
 551   8.720 120.923   9.024 1 T          3.163e+00  0.00e+00 a   0 -         -         -          
 552   8.729 121.099   7.422 1 T          4.557e+00  0.00e+00 a   0 -         -         -          
 553   8.728 121.030   4.500 1 T          5.519e+00  0.00e+00 a   0 -         -         -          
 554   8.727 120.973   2.761 1 T          9.895e+00  0.00e+00 a   0 -         -         -          
 555   8.725 120.972   2.943 1 T          8.896e+00  0.00e+00 a   0 -         -         -          
 556   8.401 120.183   8.400 1 T          3.090e+02  0.00e+00 a   0 -         -         -          
 557   8.404 120.192   9.341 1 T          1.523e+01  0.00e+00 a   0 -         -         -          
 558   8.401 120.154   7.466 1 T          5.089e+00  0.00e+00 a   0 -         -         -          
 559   8.402 120.175   4.205 1 T          2.896e+00  0.00e+00 a   0 -         -         -          
 560   8.402 120.168   4.707 1 T          1.888e+01  0.00e+00 a   0 -         -         -          
 561   8.399 120.175   5.475 1 T          2.896e+00  0.00e+00 a   0 -         -         -          
 562   8.401 120.181   3.842 1 T          3.548e+01  0.00e+00 a   0 -         -         -          
 563   8.401 120.181   2.381 1 T          5.861e+00  0.00e+00 a   0 -         -         -          
 564   8.401 120.173   1.939 1 T          1.981e+01  0.00e+00 a   0 -         -         -          
 565   8.338 120.101   8.331 1 T          2.661e+02  0.00e+00 a   0 -         -         -          
 566   8.337 120.091   4.665 1 T          1.225e+01  0.00e+00 a   0 -         -         -          
 567   8.340 120.112   4.208 1 T          1.981e+01  0.00e+00 a   0 -         -         -          
 568   8.338 120.110   3.673 1 T          1.888e+01  0.00e+00 a   0 -         -         -          
 569   8.339 120.107   1.925 1 T          2.677e+01  0.00e+00 a   0 -         -         -          
 570   8.337 120.117   1.251 1 T          2.007e+00  0.00e+00 a   0 -         -         -          
 571   8.335 120.133  -0.155 1 T          2.347e+00  0.00e+00 a   0 -         -         -          
 572   8.335 120.125  -0.835 1 T          2.421e+00  0.00e+00 a   0 -         -         -          
 573   8.078 121.576   8.088 1 T          1.398e+02  0.00e+00 a   0 -         -         -          
 574   8.081 121.597   4.454 1 T          2.321e+01  0.00e+00 a   0 -         -         -          
 575   8.078 121.596   3.918 1 T          6.474e+00  0.00e+00 a   0 -         -         -          
 576   8.080 121.586   2.693 1 T          1.987e+00  0.00e+00 a   0 -         -         -          
 577   8.080 121.596   1.674 1 T          7.296e+00  0.00e+00 a   0 -         -         -          
 578   8.078 121.605   1.339 1 T          1.191e+02  0.00e+00 a   0 -         -         -          
 579   8.079 121.627   0.609 1 T          2.874e+00  0.00e+00 a   0 -         -         -          
 580   8.115 120.840   8.109 1 T          7.635e+02  0.00e+00 a   0 -         -         -          
 581   8.115 120.846   8.632 1 T          2.940e+01  0.00e+00 a   0 -         -         -          
 582   8.116 120.853   7.362 1 T          6.871e+00  0.00e+00 a   0 -         -         -          
 583   8.118 120.870   7.088 1 T          4.312e+00  0.00e+00 a   0 -         -         -          
 584   8.115 120.840   4.698 1 T          6.618e+00  0.00e+00 a   0 -         -         -          
 585   8.116 120.837   3.975 1 T          5.359e+01  0.00e+00 a   0 -         -         -          
 586   8.114 120.832   3.661 1 T          2.558e+00  0.00e+00 a   0 -         -         -          
 587   8.116 120.838   3.072 1 T          3.351e+01  0.00e+00 a   0 -         -         -          
 588   8.116 120.897   1.854 1 T          2.843e+00  0.00e+00 a   0 -         -         -          
 589   8.119 120.836   1.576 1 T          4.349e+00  0.00e+00 a   0 -         -         -          
 590   8.119 120.842   0.816 1 T          3.587e+00  0.00e+00 a   0 -         -         -          
 591   8.116 120.898   0.017 1 T          1.937e+00  0.00e+00 a   0 -         -         -          
 592   8.614 126.080  -0.144 1 T          1.352e+00  0.00e+00 a   0 -         -         -          
 593   8.908 128.898   8.556 1 T          4.246e+00  0.00e+00 a   0 -         -         -          
 594   8.907 128.898   8.504 1 T          4.246e+00  0.00e+00 a   0 -         -         -
;


   loop_
      _Spectral_dim.ID
      _Spectral_dim.Axis_code
      _Spectral_dim.Spectrometer_frequency
      _Spectral_dim.Atom_type
      _Spectral_dim.Atom_isotope_number
      _Spectral_dim.Spectral_region
      _Spectral_dim.Magnetization_linkage_ID
      _Spectral_dim.Under_sampling_type
      _Spectral_dim.Sweep_width
      _Spectral_dim.Sweep_width_units
      _Spectral_dim.Value_first_point
      _Spectral_dim.Absolute_peak_positions
      _Spectral_dim.Acquisition
      _Spectral_dim.Center_frequency_offset
      _Spectral_dim.Encoding_code
      _Spectral_dim.Encoded_reduced_dimension_ID
      _Spectral_dim.Entry_ID
      _Spectral_dim.Spectral_peak_list_ID

      1   .   .   H   1    HN   .   aliased   16.014617216   ppm   .   .   .   4.773     .   .   30222   1
      2   .   .   N   15   N    .   aliased   34.997730341   ppm   .   .   .   117.079   .   .   30222   1
      3   .   .   H   1    H    .   aliased   16.014617216   ppm   .   .   .   4.773     .   .   30222   1
   stop_
save_

save_spectral_peak_list_2
   _Spectral_peak_list.Sf_category                      spectral_peak_list
   _Spectral_peak_list.Sf_framecode                     spectral_peak_list_2
   _Spectral_peak_list.Entry_ID                         30222
   _Spectral_peak_list.ID                               2
   _Spectral_peak_list.Sample_ID                        3
   _Spectral_peak_list.Sample_label                     $sample_3
   _Spectral_peak_list.Sample_condition_list_ID         1
   _Spectral_peak_list.Sample_condition_list_label      $sample_conditions_1
   _Spectral_peak_list.Experiment_ID                    3
   _Spectral_peak_list.Experiment_name                  '3D 1H-13C NOESY aromatic'
   _Spectral_peak_list.Experiment_class                 .
   _Spectral_peak_list.Experiment_type                  .
   _Spectral_peak_list.Number_of_spectral_dimensions    3
   _Spectral_peak_list.Chemical_shift_list              .
   _Spectral_peak_list.Assigned_chem_shift_list_ID      .
   _Spectral_peak_list.Assigned_chem_shift_list_label   .
   _Spectral_peak_list.Details                          .
   _Spectral_peak_list.Text_data_format                 text
   _Spectral_peak_list.Text_data

;
# Number of dimensions 3
# INAME 1 H
# INAME 2 C
# INAME 3 h
# CYANAFORMAT HCh
   1   7.118 114.136   7.438 1 T          6.308e+00  0.00e+00 a   0 -         -         -          
   2   7.115 114.144   7.118 1 T          2.139e+01  0.00e+00 a   0 -         -         -          
   3   7.118 114.153   6.861 1 T          2.308e+00  0.00e+00 a   0 -         -         -          
   4   7.118 114.176   6.585 1 T          6.308e+00  0.00e+00 a   0 -         -         -          
   5   7.122 114.019   0.749 1 T          1.770e+00  0.00e+00 a   0 -         -         -          
   6   7.124 114.089   3.248 1 T          1.186e+00  0.00e+00 a   0 -         -         -          
   7   7.118 114.136   7.438 1 T          3.308e+00  0.00e+00 a   0 -         -         -          
   8   6.717 132.921   6.714 1 T          4.595e+01  0.00e+00 a   0 -         -         -          
   9   6.709 132.942   4.262 1 T          2.429e+00  0.00e+00 a   0 -         -         -          
  10   6.722 132.829   3.219 1 T          5.044e+00  0.00e+00 a   0 -         -         -          
  11   6.716 133.199   0.715 1 T          1.760e+00  0.00e+00 a   0 -         -         -          
  12   6.729 132.912   7.165 1 T          1.213e+01  0.00e+00 a   0 -         -         -          
  13   7.222 131.229   7.221 1 T          2.122e+01  0.00e+00 a   0 -         -         -          
  14   7.210 131.235   7.736 1 T          1.659e+00  0.00e+00 a   0 -         -         -          
  15   7.223 131.178   3.076 1 T          1.155e+00  0.00e+00 a   0 -         -         -          
  16   7.223 131.175   0.595 1 T          1.306e+00  0.00e+00 a   0 -         -         -          
  17   7.761 132.665   7.764 1 T          3.649e+01  0.00e+00 a   0 -         -         -          
  18   7.763 132.766   7.206 1 T          5.402e+00  0.00e+00 a   0 -         -         -          
  19   7.761 132.727   3.089 1 T          5.367e+00  0.00e+00 a   0 -         -         -          
  20   6.580 130.687   6.576 1 T          7.615e+00  0.00e+00 a   0 -         -         -          
  21   6.587 130.711   7.070 1 T          2.538e+00  0.00e+00 a   0 -         -         -          
  22   7.070 130.424   6.576 1 T          2.915e+00  0.00e+00 a   0 -         -         -          
  23   7.058 130.423   2.999 1 T          1.554e+00  0.00e+00 a   0 -         -         -          
  24   7.062 130.355   0.494 1 T          1.524e+00  0.00e+00 a   0 -         -         -          
  25   7.073 130.432   7.771 1 T          2.475e+00  0.00e+00 a   0 -         -         -          
  26   7.065 130.415   7.064 1 T          1.616e+01  0.00e+00 a   0 -         -         -          
  27   7.697 138.368   7.699 1 T          1.406e+03  0.00e+00 a   0 -         -         -          
  28   7.386 131.933   7.394 1 T          6.768e+01  0.00e+00 a   0 -         -         -          
  29   7.376 131.959   4.159 1 T          2.034e+00  0.00e+00 a   0 -         -         -          
  30   7.399 131.972   3.498 1 T          3.021e+00  0.00e+00 a   0 -         -         -          
  31   7.399 131.972   3.283 1 T          3.021e+00  0.00e+00 a   0 -         -         -          
  32   7.389 131.992   0.644 1 T          1.522e+00  0.00e+00 a   0 -         -         -          
  33   7.384 131.959   7.128 1 T          3.932e+00  0.00e+00 a   0 -         -         -          
  34   7.396 131.935   6.839 1 T          3.335e+00  0.00e+00 a   0 -         -         -          
  35   7.372 132.038   1.274 1 T          1.424e+00  0.00e+00 a   0 -         -         -          
  36   7.370 131.635   0.590 1 T          1.304e+00  0.00e+00 a   0 -         -         -          
  37   6.838 130.432   6.845 1 T          8.964e+00  0.00e+00 a   0 -         -         -          
  38   6.375 117.338   6.374 1 T          1.157e+01  0.00e+00 a   0 -         -         -          
  39   7.100 128.800   7.105 1 T          3.623e+01  0.00e+00 a   0 -         -         -          
  40   7.099 128.785   7.503 1 T          1.019e+01  0.00e+00 a   0 -         -         -          
  41   7.099 128.852   4.668 1 T          4.070e+00  0.00e+00 a   0 -         -         -          
  42   7.107 128.868   3.140 1 T          1.302e+00  0.00e+00 a   0 -         -         -          
  43   7.093 128.893   1.166 1 T          1.827e+00  0.00e+00 a   0 -         -         -          
  44   7.510 132.264   7.104 1 T          2.720e+00  0.00e+00 a   0 -         -         -          
  45   7.503 126.817   7.490 1 T          6.820e+01  0.00e+00 a   0 -         -         -          
  46   7.505 126.780   4.705 1 T          3.343e+00  0.00e+00 a   0 -         -         -          
  47   7.504 126.930   3.233 1 T          3.070e+00  0.00e+00 a   0 -         -         -          
  48   7.491 127.003   5.153 1 T          1.707e+00  0.00e+00 a   0 -         -         -          
  49   6.604 118.071   6.618 1 T          8.345e+01  0.00e+00 a   0 -         -         -          
  50   6.606 117.990   0.713 1 T          3.110e+00  0.00e+00 a   0 -         -         -          
  51   7.781 132.665   7.774 1 T          3.649e+01  0.00e+00 a   0 -         -         -          
  52   7.478 119.597   6.367 1 T          3.291e+00  0.00e+00 a   0 -         -         -          
  53   7.477 119.761   3.169 1 T          1.296e+00  0.00e+00 a   0 -         -         -          
  54   7.479 119.865   7.478 1 T          9.227e+00  0.00e+00 a   0 -         -         -          
  55   6.561 123.468   7.475 1 T          1.731e+00  0.00e+00 a   0 -         -         -          
  56   6.580 123.415   6.583 1 T          7.934e+00  0.00e+00 a   0 -         -         -          
  57   6.559 123.508   6.361 1 T          2.545e+00  0.00e+00 a   0 -         -         -          
  58   6.379 120.054   6.376 1 T          4.537e+00  0.00e+00 a   0 -         -         -          
  59   7.122 114.127   4.035 1 T          1.770e+00  0.00e+00 a   0 -         -         -          
  60   6.382 117.363   4.186 1 T          1.894e+00  0.00e+00 a   0 -         -         -          
  61   6.383 117.339   2.820 1 T          2.044e+00  0.00e+00 a   0 -         -         -          
  62   6.579 123.463   3.341 1 T          1.738e+00  0.00e+00 a   0 -         -         -          
  63   6.579 123.463   3.108 1 T          1.738e+00  0.00e+00 a   0 -         -         -          
  64   7.503 126.772   2.001 1 T          3.064e+00  0.00e+00 a   0 -         -         -          
  65   6.367 120.048   3.103 1 T          1.078e+00  0.00e+00 a   0 -         -         -          
  66   6.368 120.027   2.028 1 T          1.246e+00  0.00e+00 a   0 -         -         -          
  67   6.368 120.065  -0.833 1 T          1.760e+00  0.00e+00 a   0 -         -         -
;


   loop_
      _Spectral_dim.ID
      _Spectral_dim.Axis_code
      _Spectral_dim.Spectrometer_frequency
      _Spectral_dim.Atom_type
      _Spectral_dim.Atom_isotope_number
      _Spectral_dim.Spectral_region
      _Spectral_dim.Magnetization_linkage_ID
      _Spectral_dim.Under_sampling_type
      _Spectral_dim.Sweep_width
      _Spectral_dim.Sweep_width_units
      _Spectral_dim.Value_first_point
      _Spectral_dim.Absolute_peak_positions
      _Spectral_dim.Acquisition
      _Spectral_dim.Center_frequency_offset
      _Spectral_dim.Encoding_code
      _Spectral_dim.Encoded_reduced_dimension_ID
      _Spectral_dim.Entry_ID
      _Spectral_dim.Spectral_peak_list_ID

      1   .   .   H   1    H-aromatic   .   aliased   14.019506193   ppm   .   .   .   6.073     .   .   30222   2
      2   .   .   C   13   C-aromatic   .   aliased   40.291186258   ppm   .   .   .   127.736   .   .   30222   2
      3   .   .   H   1    H            .   aliased   14.019506193   ppm   .   .   .   6.073     .   .   30222   2
   stop_
save_

save_spectral_peak_list_3
   _Spectral_peak_list.Sf_category                      spectral_peak_list
   _Spectral_peak_list.Sf_framecode                     spectral_peak_list_3
   _Spectral_peak_list.Entry_ID                         30222
   _Spectral_peak_list.ID                               3
   _Spectral_peak_list.Sample_ID                        3
   _Spectral_peak_list.Sample_label                     $sample_3
   _Spectral_peak_list.Sample_condition_list_ID         1
   _Spectral_peak_list.Sample_condition_list_label      $sample_conditions_1
   _Spectral_peak_list.Experiment_ID                    2
   _Spectral_peak_list.Experiment_name                  '3D 1H-13C NOESY aliphatic'
   _Spectral_peak_list.Experiment_class                 .
   _Spectral_peak_list.Experiment_type                  .
   _Spectral_peak_list.Number_of_spectral_dimensions    3
   _Spectral_peak_list.Chemical_shift_list              .
   _Spectral_peak_list.Assigned_chem_shift_list_ID      .
   _Spectral_peak_list.Assigned_chem_shift_list_label   .
   _Spectral_peak_list.Details                          .
   _Spectral_peak_list.Text_data_format                 text
   _Spectral_peak_list.Text_data

;
# Number of dimensions 3
# INAME 1 H
# INAME 2 C
# INAME 3 h
# CYANAFORMAT HCh
   1   4.681  54.620   4.677 1 T          3.284e+02  0.00e+00 a   0 -         -         -          
   2   4.679  54.468   2.461 1 T          8.577e+00  0.00e+00 a   0 -         -         -          
   3   4.679  54.649   1.940 1 T          2.897e+01  0.00e+00 a   0 -         -         -          
   4   1.908  35.297   1.908 1 T          3.967e+02  0.00e+00 a   0 -         -         -          
   5   1.908  35.300   1.473 1 T          6.223e+00  0.00e+00 a   0 -         -         -          
   6   1.915  35.178   2.365 1 T          4.801e+00  0.00e+00 a   0 -         -         -          
   7   1.913  35.169   4.672 1 T          4.872e+00  0.00e+00 a   0 -         -         -          
   8   1.907  35.217   5.138 1 T          2.773e+00  0.00e+00 a   0 -         -         -          
   9   2.343  31.676   2.340 1 T          2.839e+02  0.00e+00 a   0 -         -         -          
  10   2.351  31.676   1.952 1 T          1.137e+01  0.00e+00 a   0 -         -         -          
  11   2.338  31.698   4.671 1 T          4.044e+00  0.00e+00 a   0 -         -         -          
  12   2.344  31.829   7.412 1 T          1.309e+00  0.00e+00 a   0 -         -         -          
  13   4.802  63.469   4.795 1 T          1.086e+02  0.00e+00 a   0 -         -         -          
  14   3.894  69.300   3.895 1 T          2.103e+02  0.00e+00 a   0 -         -         -          
  15   3.874  69.648   4.456 1 T          1.002e+01  0.00e+00 a   0 -         -         -          
  16   3.885  69.465   4.786 1 T          1.161e+01  0.00e+00 a   0 -         -         -          
  17   3.895  69.278   1.214 1 T          4.160e+01  0.00e+00 a   0 -         -         -          
  18   3.871  69.709   0.735 1 T          9.078e+00  0.00e+00 a   0 -         -         -          
  19   3.876  69.758   0.459 1 T          4.206e+00  0.00e+00 a   0 -         -         -          
  20   1.148  21.735   4.180 1 T          1.464e+01  0.00e+00 a   0 -         -         -          
  21   1.152  21.758   4.385 1 T          9.370e+00  0.00e+00 a   0 -         -         -          
  22   1.149  21.743   1.156 1 T          7.094e+02  0.00e+00 a   0 -         -         -          
  23   1.139  21.862   0.757 1 T          1.779e+01  0.00e+00 a   0 -         -         -          
  24   1.227  21.517   1.222 1 T          2.172e+03  0.00e+00 a   0 -         -         -          
  25   1.248  21.287   3.970 1 T          3.834e+01  0.00e+00 a   0 -         -         -          
  26   1.221  21.597   4.323 1 T          3.952e+01  0.00e+00 a   0 -         -         -          
  27   1.239  21.668   4.774 1 T          3.052e+01  0.00e+00 a   0 -         -         -          
  28   1.220  21.338   5.415 1 T          7.253e+00  0.00e+00 a   0 -         -         -          
  29   1.219  21.290   5.890 1 T          9.649e+00  0.00e+00 a   0 -         -         -          
  30   1.223  21.053   3.706 1 T          1.744e+01  0.00e+00 a   0 -         -         -          
  31   1.220  21.454   1.923 1 T          1.244e+01  0.00e+00 a   0 -         -         -          
  32   5.368  56.992   5.370 1 T          1.000e+02  0.00e+00 a   0 -         -         -          
  33   5.367  57.033   3.410 1 T          7.910e+00  0.00e+00 a   0 -         -         -          
  34   5.362  57.053   2.965 1 T          4.794e+00  0.00e+00 a   0 -         -         -          
  35   5.369  57.048   1.907 1 T          7.169e+00  0.00e+00 a   0 -         -         -          
  36   5.363  56.975   1.244 1 T          2.878e+00  0.00e+00 a   0 -         -         -          
  37   5.369  57.098   7.400 1 T          4.808e+00  0.00e+00 a   0 -         -         -          
  38   2.952  44.141   2.961 1 T          7.774e+00  0.00e+00 a   0 -         -         -          
  39   2.952  44.141   3.410 1 T          7.774e+00  0.00e+00 a   0 -         -         -          
  40   2.946  44.117   0.501 1 T          3.231e+00  0.00e+00 a   0 -         -         -          
  41   2.948  44.100   7.089 1 T          2.665e+00  0.00e+00 a   0 -         -         -          
  42   2.947  44.126   7.338 1 T          3.797e+00  0.00e+00 a   0 -         -         -          
  43   5.387  54.769   5.399 1 T          4.179e+01  0.00e+00 a   0 -         -         -          
  44   5.387  54.776   5.890 1 T          8.082e+00  0.00e+00 a   0 -         -         -          
  45   5.388  54.727   5.635 1 T          1.436e+01  0.00e+00 a   0 -         -         -          
  46   5.388  54.656   4.343 1 T          2.248e+00  0.00e+00 a   0 -         -         -          
  47   5.386  54.777   7.247 1 T          2.310e+00  0.00e+00 a   0 -         -         -          
  48   5.386  54.797   1.924 1 T          6.282e+00  0.00e+00 a   0 -         -         -          
  49   5.390  54.645   1.481 1 T          3.451e+00  0.00e+00 a   0 -         -         -          
  50   5.384  54.734   1.219 1 T          6.836e+00  0.00e+00 a   0 -         -         -          
  51   1.963  36.446   5.389 1 T          1.926e+00  0.00e+00 a   0 -         -         -          
  52   1.964  36.308   2.306 1 T          7.317e+00  0.00e+00 a   0 -         -         -          
  53   1.883  36.442   5.385 1 T          3.228e+00  0.00e+00 a   0 -         -         -          
  54   1.891  36.393   5.606 1 T          3.404e+00  0.00e+00 a   0 -         -         -          
  55   1.868  34.717   1.868 1 T          3.967e+02  0.00e+00 a   0 -         -         -          
  56   1.460  25.414   1.445 1 T          2.232e+02  0.00e+00 a   0 -         -         -          
  57   1.454  25.345   2.980 1 T          3.865e+00  0.00e+00 a   0 -         -         -          
  58   1.454  25.382   4.108 1 T          4.006e+00  0.00e+00 a   0 -         -         -          
  59   1.619  29.147   2.863 1 T          9.658e+00  0.00e+00 a   0 -         -         -          
  60   1.611  29.153   1.607 1 T          4.222e+02  0.00e+00 a   0 -         -         -          
  61   1.604  29.228   3.695 1 T          3.066e+00  0.00e+00 a   0 -         -         -          
  62   1.634  29.074   1.056 1 T          3.780e+00  0.00e+00 a   0 -         -         -          
  63   1.625  29.013   0.820 1 T          4.311e+00  0.00e+00 a   0 -         -         -          
  64   2.768  41.756   2.818 1 T          1.140e+02  0.00e+00 a   0 -         -         -          
  65   2.767  41.852   3.167 1 T          2.912e+00  0.00e+00 a   0 -         -         -          
  66   2.772  41.845   1.902 1 T          3.470e+00  0.00e+00 a   0 -         -         -          
  67   2.772  41.806   1.633 1 T          5.266e+00  0.00e+00 a   0 -         -         -          
  68   2.774  41.868   1.229 1 T          2.171e+00  0.00e+00 a   0 -         -         -          
  69   5.431  49.973   5.423 1 T          8.103e+01  0.00e+00 a   0 -         -         -          
  70   5.429  50.005   3.029 1 T          6.817e+00  0.00e+00 a   0 -         -         -          
  71   5.437  50.072   1.010 1 T          2.615e+00  0.00e+00 a   0 -         -         -          
  72   5.428  49.961   0.119 1 T          2.136e+01  0.00e+00 a   0 -         -         -          
  73   0.130  18.737   0.121 1 T          2.716e+02  0.00e+00 a   0 -         -         -          
  74   0.132  18.825   0.728 1 T          6.376e+00  0.00e+00 a   0 -         -         -          
  75   0.137  18.740   3.040 1 T          3.959e+00  0.00e+00 a   0 -         -         -          
  76   0.128  18.683   5.423 1 T          9.964e+00  0.00e+00 a   0 -         -         -          
  77   0.129  18.689   6.624 1 T          4.254e+00  0.00e+00 a   0 -         -         -          
  78   0.132  18.669   7.057 1 T          2.858e+00  0.00e+00 a   0 -         -         -          
  79   4.338  60.413   5.532 1 T          1.200e+01  0.00e+00 a   0 -         -         -          
  80   4.370  59.906   5.155 1 T          1.109e+01  0.00e+00 a   0 -         -         -          
  81   4.376  60.257   4.379 1 T          3.489e+02  0.00e+00 a   0 -         -         -          
  82   4.367  60.040   3.891 1 T          3.224e+00  0.00e+00 a   0 -         -         -          
  83   4.342  60.382   1.929 1 T          5.590e+00  0.00e+00 a   0 -         -         -          
  84   4.342  60.386   1.454 1 T          5.588e+00  0.00e+00 a   0 -         -         -          
  85   4.377  60.326   1.075 1 T          4.051e+01  0.00e+00 a   0 -         -         -          
  86   4.342  60.378   0.838 1 T          1.841e+01  0.00e+00 a   0 -         -         -          
  87   4.362  59.951   0.361 1 T          2.784e+00  0.00e+00 a   0 -         -         -          
  88   4.366  59.956  -0.167 1 T          8.608e+00  0.00e+00 a   0 -         -         -          
  89   4.361  59.940   0.086 1 T          5.004e+00  0.00e+00 a   0 -         -         -          
  90   4.370  59.949  -0.441 1 T          4.474e+00  0.00e+00 a   0 -         -         -          
  91   4.365  59.921  -0.850 1 T          9.974e+00  0.00e+00 a   0 -         -         -          
  92   4.295  61.329   4.288 1 T          1.006e+02  0.00e+00 a   0 -         -         -          
  93   4.293  61.380   3.236 1 T          1.167e+01  0.00e+00 a   0 -         -         -          
  94   4.293  61.400   2.746 1 T          3.726e+00  0.00e+00 a   0 -         -         -          
  95   4.299  61.355   2.272 1 T          3.218e+00  0.00e+00 a   0 -         -         -          
  96   4.294  61.241   6.700 1 T          5.908e+00  0.00e+00 a   0 -         -         -          
  97   4.170  61.616   4.172 1 T          6.073e+01  0.00e+00 a   0 -         -         -          
  98   4.168  61.642   3.514 1 T          4.328e+00  0.00e+00 a   0 -         -         -          
  99   4.167  61.550   1.367 1 T          3.208e+00  0.00e+00 a   0 -         -         -          
 100   4.171  61.590   5.086 1 T          1.144e+01  0.00e+00 a   0 -         -         -          
 101   4.178  61.659   6.732 1 T          2.481e+00  0.00e+00 a   0 -         -         -          
 102   4.171  61.609   7.241 1 T          7.754e+00  0.00e+00 a   0 -         -         -          
 103   4.188  59.754   3.943 1 T          1.323e+01  0.00e+00 a   0 -         -         -          
 104   4.181  59.800   1.475 1 T          5.021e+00  0.00e+00 a   0 -         -         -          
 105   4.180  59.860   1.194 1 T          3.957e+00  0.00e+00 a   0 -         -         -          
 106   4.180  59.826   0.713 1 T          9.987e+00  0.00e+00 a   0 -         -         -          
 107   4.180  59.799   0.424 1 T          5.075e+00  0.00e+00 a   0 -         -         -          
 108   4.183  59.851   0.098 1 T          4.232e+00  0.00e+00 a   0 -         -         -          
 109   4.180  59.798  -0.170 1 T          5.059e+00  0.00e+00 a   0 -         -         -          
 110   1.912  39.189   4.978 1 T          3.057e+00  0.00e+00 a   0 -         -         -          
 111   1.914  39.268   4.340 1 T          2.483e+00  0.00e+00 a   0 -         -         -          
 112   1.908  39.268   1.921 1 T          3.729e+01  0.00e+00 a   0 -         -         -          
 113   1.918  39.266   1.469 1 T          3.223e+00  0.00e+00 a   0 -         -         -          
 114   1.901  39.277   0.841 1 T          1.157e+01  0.00e+00 a   0 -         -         -          
 115   1.460  25.414   1.445 1 T          2.232e+02  0.00e+00 a   0 -         -         -          
 116   1.459  27.585   1.115 1 T          2.587e+01  0.00e+00 a   0 -         -         -          
 117   1.456  27.584   0.847 1 T          1.557e+01  0.00e+00 a   0 -         -         -          
 118   1.456  27.886   1.917 1 T          6.142e+00  0.00e+00 a   0 -         -         -          
 119   1.459  28.280   2.929 1 T          4.601e+00  0.00e+00 a   0 -         -         -          
 120   1.460  27.725   4.318 1 T          2.717e+00  0.00e+00 a   0 -         -         -          
 121   1.471  28.404   4.189 1 T          2.444e+00  0.00e+00 a   0 -         -         -          
 122   1.120  27.629   1.114 1 T          2.846e+01  0.00e+00 a   0 -         -         -          
 123   1.129  27.640   9.042 1 T          1.099E+01  0.00E+00 a   0 -         -         -

 124   1.130  27.659   1.446 1 T          1.867e+01  0.00e+00 a   0 -         -         -          
 125   1.124  27.548   1.934 1 T          4.774e+00  0.00e+00 a   0 -         -         -          
 126   1.126  27.650   4.315 1 T          3.139e+00  0.00e+00 a   0 -         -         -          
 127   1.124  27.460   5.524 1 T          2.021e+00  0.00e+00 a   0 -         -         -          
 128   0.806  12.952   0.807 1 T          7.517e+02  0.00e+00 a   0 -         -         -          
 129   0.855  17.158   0.851 1 T          6.283e+02  0.00e+00 a   0 -         -         -          
 130   0.855  17.183   1.435 1 T          1.221e+01  0.00e+00 a   0 -         -         -          
 131   0.855  17.155   1.930 1 T          3.019e+01  0.00e+00 a   0 -         -         -          
 132   0.856  17.147   4.328 1 T          2.043e+01  0.00e+00 a   0 -         -         -          
 133   4.046  58.724   4.040 1 T          1.182e+02  0.00e+00 a   0 -         -         -          
 134   4.042  60.229   1.646 1 T          1.101e+01  0.00e+00 a   0 -         -         -          
 135   4.045  60.143   0.766 1 T          4.485e+00  0.00e+00 a   0 -         -         -          
 136   4.053  60.166   7.127 1 T          3.817e+00  0.00e+00 a   0 -         -         -          
 137   4.030  60.118   7.386 1 T          3.032e+00  0.00e+00 a   0 -         -         -          
 138   1.495  38.816   1.483 1 T          4.154e+01  0.00e+00 a   0 -         -         -          
 139   1.490  38.793   0.671 1 T          8.028e+00  0.00e+00 a   0 -         -         -          
 140   1.488  38.858   0.420 1 T          3.934e+00  0.00e+00 a   0 -         -         -          
 141   1.498  39.035   4.175 1 T          3.523e+00  0.00e+00 a   0 -         -         -          
 142   0.739  25.623   0.612 1 T          4.811e+01  0.00e+00 a   0 -         -         -          
 143   0.745  27.221   1.218 1 T          6.797e+00  0.00e+00 a   0 -         -         -          
 144   0.470  13.787   0.464 1 T          1.853e+02  0.00e+00 a   0 -         -         -          
 145   0.469  13.782  -0.024 1 T          4.912e+01  0.00e+00 a   0 -         -         -          
 146   0.475  13.719   0.233 1 T          1.160e+01  0.00e+00 a   0 -         -         -          
 147   0.468  13.790   1.217 1 T          1.105e+01  0.00e+00 a   0 -         -         -          
 148   0.473  13.757   1.485 1 T          7.432e+00  0.00e+00 a   0 -         -         -          
 149   0.665  17.825   0.663 1 T          2.466e+02  0.00e+00 a   0 -         -         -          
 150   0.666  17.822   0.375 1 T          5.742e+01  0.00e+00 a   0 -         -         -          
 151   0.665  17.808   1.174 1 T          7.579e+00  0.00e+00 a   0 -         -         -          
 152   0.665  17.802   1.477 1 T          1.599e+01  0.00e+00 a   0 -         -         -          
 153   0.665  17.814   4.173 1 T          9.798e+00  0.00e+00 a   0 -         -         -          
 154   0.672  17.784   5.144 1 T          3.022e+00  0.00e+00 a   0 -         -         -          
 155   5.266  51.010   5.270 1 T          1.582e+02  0.00e+00 a   0 -         -         -          
 156   5.265  51.007   2.951 1 T          9.359e+00  0.00e+00 a   0 -         -         -          
 157   5.263  50.958   2.514 1 T          8.229e+00  0.00e+00 a   0 -         -         -          
 158   5.261  50.908   1.748 1 T          4.210e+00  0.00e+00 a   0 -         -         -          
 159   5.264  50.959   1.465 1 T          6.013e+00  0.00e+00 a   0 -         -         -          
 160   2.928  38.472   2.962 1 T          8.626e+01  0.00e+00 a   0 -         -         -          
 161   2.956  37.954   2.516 1 T          1.658e+01  0.00e+00 a   0 -         -         -          
 162   2.959  37.997   4.739 1 T          4.928e+00  0.00e+00 a   0 -         -         -          
 163   2.965  37.948   5.269 1 T          4.096e+00  0.00e+00 a   0 -         -         -          
 164   2.496  37.978   2.498 1 T          2.965e+01  0.00e+00 a   0 -         -         -          
 165   2.493  37.962   2.955 1 T          1.506e+01  0.00e+00 a   0 -         -         -          
 166   2.508  38.104   4.735 1 T          3.657e+00  0.00e+00 a   0 -         -         -          
 167   2.493  38.029   5.271 1 T          4.173e+00  0.00e+00 a   0 -         -         -          
 168   4.517  44.633   4.099 1 T          2.120e+01  0.00e+00 a   0 -         -         -          
 169   4.516  44.666   4.518 1 T          2.714e+01  0.00e+00 a   0 -         -         -          
 170   4.116  44.637   4.515 1 T          2.829e+01  0.00e+00 a   0 -         -         -          
 171   4.118  44.712   4.115 1 T          6.206e+01  0.00e+00 a   0 -         -         -          
 172   4.127  45.061   3.679 1 T          1.431e+01  0.00e+00 a   0 -         -         -          
 173   4.104  58.878   4.107 1 T          2.978e+02  0.00e+00 a   0 -         -         -          
 174   4.101  58.837   2.967 1 T          2.724e+00  0.00e+00 a   0 -         -         -          
 175   4.104  58.880   1.824 1 T          3.507e+01  0.00e+00 a   0 -         -         -          
 176   4.104  58.889   1.452 1 T          1.447e+01  0.00e+00 a   0 -         -         -          
 177   1.831  32.475   1.826 1 T          2.844e+02  0.00e+00 a   0 -         -         -          
 178   1.842  32.211   1.586 1 T          1.893e+01  0.00e+00 a   0 -         -         -          
 179   1.841  32.175   3.723 1 T          1.525e+01  0.00e+00 a   0 -         -         -          
 180   1.823  32.661   4.108 1 T          1.158e+01  0.00e+00 a   0 -         -         -          
 181   1.348  25.419   0.627 1 T          4.407e+00  0.00e+00 a   0 -         -         -          
 182   1.337  25.011   1.831 1 T          7.655e+00  0.00e+00 a   0 -         -         -          
 183   2.888  41.860   2.888 1 T          1.070e+03  0.00e+00 a   0 -         -         -          
 184   2.872  41.803   1.869 1 T          4.774e+00  0.00e+00 a   0 -         -         -          
 185   2.882  41.809   1.598 1 T          2.211e+01  0.00e+00 a   0 -         -         -          
 186   2.888  41.868   1.324 1 T          7.260e+00  0.00e+00 a   0 -         -         -          
 187   2.976  41.924   2.972 1 T          1.097e+03  0.00e+00 a   0 -         -         -          
 188   2.976  41.886   1.667 1 T          1.371e+01  0.00e+00 a   0 -         -         -          
 189   2.970  42.036   1.456 1 T          9.745e+00  0.00e+00 a   0 -         -         -          
 190   2.825  42.017   2.536 1 T          4.015e+01  0.00e+00 a   0 -         -         -          
 191   2.818  41.997   4.127 1 T          7.117e+00  0.00e+00 a   0 -         -         -          
 192   2.816  42.031   6.391 1 T          4.168e+00  0.00e+00 a   0 -         -         -          
 193   3.051  42.373   4.679 1 T          1.571e+01  0.00e+00 a   0 -         -         -          
 194   4.371  62.087   4.383 1 T          2.775e+02  0.00e+00 a   0 -         -         -          
 195   4.371  62.117   1.158 1 T          2.392e+01  0.00e+00 a   0 -         -         -          
 196   4.206  69.800   4.204 1 T          2.688e+02  0.00e+00 a   0 -         -         -          
 197   4.205  69.817   1.158 1 T          3.512e+01  0.00e+00 a   0 -         -         -          
 198   4.455  55.055   4.451 1 T          2.096e+02  0.00e+00 a   0 -         -         -          
 199   4.454  54.956   5.100 1 T          2.410e+01  0.00e+00 a   0 -         -         -          
 200   4.455  54.936   1.454 1 T          9.491e+00  0.00e+00 a   0 -         -         -          
 201   4.456  54.940   0.888 1 T          8.789e+00  0.00e+00 a   0 -         -         -          
 202   1.567  43.705   1.495 1 T          2.649e+01  0.00e+00 a   0 -         -         -          
 203   1.575  43.701   1.102 1 T          3.547e+00  0.00e+00 a   0 -         -         -          
 204   1.565  43.647   0.879 1 T          3.404e+00  0.00e+00 a   0 -         -         -          
 205   1.574  43.569   4.449 1 T          2.127e+00  0.00e+00 a   0 -         -         -          
 206   1.460  43.617   4.458 1 T          2.247e+00  0.00e+00 a   0 -         -         -          
 207   1.459  43.696   1.511 1 T          2.884e+01  0.00e+00 a   0 -         -         -          
 208   1.461  43.608   1.115 1 T          4.932e+00  0.00e+00 a   0 -         -         -          
 209   1.468  43.691   0.875 1 T          4.117e+00  0.00e+00 a   0 -         -         -          
 210   0.901  24.239   0.895 1 T          8.618e+02  0.00e+00 a   0 -         -         -          
 211   0.900  24.201   1.476 1 T          1.970e+01  0.00e+00 a   0 -         -         -          
 212   0.901  24.257   3.871 1 T          3.264e+00  0.00e+00 a   0 -         -         -          
 213   0.901  24.218   4.449 1 T          9.336e+00  0.00e+00 a   0 -         -         -          
 214   0.906  24.111   5.099 1 T          2.787e+00  0.00e+00 a   0 -         -         -          
 215   0.900  24.247   6.660 1 T          4.025e+00  0.00e+00 a   0 -         -         -          
 216   0.902  24.280   7.127 1 T          4.030e+00  0.00e+00 a   0 -         -         -          
 217   0.901  24.309   7.384 1 T          2.067e+00  0.00e+00 a   0 -         -         -          
 218   5.124  53.876   5.128 1 T          1.286e+02  0.00e+00 a   0 -         -         -          
 219   5.100  53.977   4.451 1 T          6.261e+00  0.00e+00 a   0 -         -         -          
 220   5.123  53.893   1.906 1 T          9.297e+00  0.00e+00 a   0 -         -         -          
 221   5.122  53.873   1.725 1 T          1.109e+01  0.00e+00 a   0 -         -         -          
 222   5.122  53.882   1.473 1 T          1.223e+01  0.00e+00 a   0 -         -         -          
 223   5.125  54.008   0.665 1 T          4.006e+00  0.00e+00 a   0 -         -         -          
 224   1.755  34.961   1.747 1 T          2.984e+01  0.00e+00 a   0 -         -         -          
 225   1.747  35.016   1.472 1 T          7.483e+00  0.00e+00 a   0 -         -         -          
 226   1.741  35.057   5.134 1 T          2.627e+00  0.00e+00 a   0 -         -         -          
 227   1.461  25.021   5.229 1 T          3.333e+00  0.00e+00 a   0 -         -         -          
 228   1.455  24.280   0.886 1 T          6.592e+00  0.00e+00 a   0 -         -         -          
 229   1.781  28.992   1.725 1 T          8.456e+01  0.00e+00 a   0 -         -         -          
 230   1.782  28.946   2.970 1 T          3.482e+00  0.00e+00 a   0 -         -         -          
 231   1.783  28.857   5.190 1 T          2.254e+00  0.00e+00 a   0 -         -         -          
 232   1.679  28.908   2.962 1 T          6.848e+00  0.00e+00 a   0 -         -         -          
 233   1.611  29.153   1.607 1 T          4.222e+02  0.00e+00 a   0 -         -         -          
 234   3.051  42.373   4.679 1 T          1.571e+01  0.00e+00 a   0 -         -         -          
 235   2.976  41.924   2.972 1 T          1.097e+03  0.00e+00 a   0 -         -         -          
 236   4.192  45.083   4.190 1 T          1.420e+02  0.00e+00 a   0 -         -         -          
 237   4.194  45.091   4.922 1 T          1.153e+01  0.00e+00 a   0 -         -         -          
 238   4.193  45.127   5.758 1 T          2.699e+00  0.00e+00 a   0 -         -         -          
 239   4.156  45.003   3.678 1 T          1.517e+01  0.00e+00 a   0 -         -         -          
 240   4.155  44.997   3.447 1 T          3.467e+00  0.00e+00 a   0 -         -         -          
 241   4.084  44.637   4.519 1 T          3.073e+01  0.00e+00 a   0 -         -         -          
 242   4.084  44.663   4.108 1 T          5.210e+01  0.00e+00 a   0 -         -         -          
 243   3.666  44.932   3.678 1 T          1.778e+01  0.00e+00 a   0 -         -         -          
 244   3.668  45.049   3.446 1 T          5.775e+00  0.00e+00 a   0 -         -         -          
 245   3.666  45.005   4.151 1 T          1.446e+01  0.00e+00 a   0 -         -         -          
 246   5.513  54.914   5.518 1 T          1.629e+02  0.00e+00 a   0 -         -         -          
 247   5.486  54.724   5.489 1 T          1.572e+02  0.00e+00 a   0 -         -         -          
 248   5.483  54.675   4.787 1 T          1.952e+01  0.00e+00 a   0 -         -         -          
 249   5.514  54.932   4.333 1 T          1.671e+01  0.00e+00 a   0 -         -         -          
 250   5.500  54.850   2.095 1 T          1.542e+01  0.00e+00 a   0 -         -         -          
 251   5.484  54.718   1.875 1 T          2.013e+01  0.00e+00 a   0 -         -         -          
 252   5.496  54.863   1.208 1 T          2.968e+00  0.00e+00 a   0 -         -         -          
 253   5.520  55.039   0.807 1 T          3.804e+00  0.00e+00 a   0 -         -         -          
 254   5.521  55.040   0.489 1 T          1.901e+00  0.00e+00 a   0 -         -         -          
 255   5.518  55.102   1.469 1 T          1.854e+00  0.00e+00 a   0 -         -         -          
 256   2.082  33.659   5.520 1 T          4.450e+00  0.00e+00 a   0 -         -         -          
 257   2.081  33.636   2.085 1 T          6.713e+01  0.00e+00 a   0 -         -         -          
 258   2.079  33.734   0.824 1 T          1.721e+00  0.00e+00 a   0 -         -         -          
 259   1.928  33.428   0.817 1 T          1.594e+00  0.00e+00 a   0 -         -         -          
 260   1.931  33.637   5.531 1 T          2.862e+00  0.00e+00 a   0 -         -         -          
 261   2.137  36.482   5.484 1 T          4.868e+00  0.00e+00 a   0 -         -         -          
 262   2.139  36.483   4.778 1 T          2.436e+00  0.00e+00 a   0 -         -         -          
 263   2.110  36.485   2.126 1 T          1.819e+02  0.00e+00 a   0 -         -         -          
 264   2.104  36.669   4.779 1 T          2.403e+00  0.00e+00 a   0 -         -         -          
 265   2.110  36.509   5.481 1 T          5.314e+00  0.00e+00 a   0 -         -         -          
 266   4.808  60.645   4.814 1 T          2.531e+02  0.00e+00 a   0 -         -         -          
 267   4.808  60.591   4.236 1 T          2.907e+01  0.00e+00 a   0 -         -         -          
 268   4.809  60.768   1.221 1 T          2.962e+01  0.00e+00 a   0 -         -         -          
 269   1.075  21.172   4.389 1 T          7.827e+01  0.00e+00 a   0 -         -         -          
 270   1.070  21.162   1.454 1 T          1.529e+01  0.00e+00 a   0 -         -         -          
 271   1.074  21.170   1.072 1 T          8.444e+02  0.00e+00 a   0 -         -         -          
 272   5.903  59.935   5.903 1 T          6.378e+01  0.00e+00 a   0 -         -         -          
 273   5.907  59.919   5.662 1 T          6.401e+00  0.00e+00 a   0 -         -         -          
 274   5.904  59.951   5.390 1 T          1.296e+01  0.00e+00 a   0 -         -         -          
 275   5.904  59.926   4.335 1 T          1.434e+01  0.00e+00 a   0 -         -         -          
 276   5.905  59.899   1.924 1 T          1.646e+00  0.00e+00 a   0 -         -         -          
 277   5.903  59.934   1.214 1 T          1.955e+01  0.00e+00 a   0 -         -         -          
 278   5.903  59.900   7.255 1 T          5.821e+00  0.00e+00 a   0 -         -         -          
 279   4.337  73.009   4.336 1 T          1.579e+02  0.00e+00 a   0 -         -         -          
 280   4.335  73.003   5.907 1 T          1.402e+01  0.00e+00 a   0 -         -         -          
 281   4.339  73.003   1.217 1 T          5.338e+01  0.00e+00 a   0 -         -         -          
 282   4.632  62.199   4.628 1 T          1.063e+02  0.00e+00 a   0 -         -         -          
 283   4.633  62.244   3.796 1 T          1.521e+01  0.00e+00 a   0 -         -         -          
 284   4.630  62.122   0.447 1 T          5.467e+00  0.00e+00 a   0 -         -         -          
 285   3.830  70.317   0.990 1 T          2.850e+01  0.00e+00 a   0 -         -         -          
 286   3.777  71.960   3.783 1 T          1.454e+03  0.00e+00 a   0 -         -         -          
 287   3.768  69.667   4.608 1 T          6.161e+00  0.00e+00 a   0 -         -         -          
 288   3.785  69.591   0.465 1 T          1.117e+01  0.00e+00 a   0 -         -         -          
 289   3.787  69.610   4.617 1 T          6.077e+00  0.00e+00 a   0 -         -         -          
 290   0.452  18.474   7.350 1 T          4.091e+00  0.00e+00 a   0 -         -         -          
 291   0.453  18.508   7.111 1 T          4.918e+00  0.00e+00 a   0 -         -         -          
 292   0.454  18.499   4.626 1 T          2.221e+00  0.00e+00 a   0 -         -         -          
 293   0.454  18.560   3.800 1 T          9.769e+00  0.00e+00 a   0 -         -         -          
 294   0.459  18.437   3.014 1 T          4.278e+00  0.00e+00 a   0 -         -         -          
 295   0.455  18.695   1.771 1 T          3.015e+00  0.00e+00 a   0 -         -         -          
 296   0.454  18.597   1.305 1 T          7.375e+00  0.00e+00 a   0 -         -         -          
 297   0.456  18.554   0.464 1 T          2.229e+02  0.00e+00 a   0 -         -         -          
 298   1.846  31.014   5.494 1 T          5.382e+00  0.00e+00 a   0 -         -         -          
 299   1.919  31.028   5.494 1 T          4.739e+00  0.00e+00 a   0 -         -         -          
 300   1.914  31.019   1.875 1 T          6.336e+01  0.00e+00 a   0 -         -         -          
 301   1.846  30.972   2.103 1 T          1.628e+01  0.00e+00 a   0 -         -         -          
 302   1.973  31.354   4.671 1 T          5.597e+00  0.00e+00 a   0 -         -         -          
 303   2.055  31.249   4.673 1 T          4.255e+00  0.00e+00 a   0 -         -         -          
 304   2.058  31.306   1.999 1 T          5.656e+01  0.00e+00 a   0 -         -         -          
 305   1.964  31.379   2.005 1 T          5.752e+01  0.00e+00 a   0 -         -         -          
 306   4.895  50.935   4.902 1 T          1.079e+02  0.00e+00 a   0 -         -         -          
 307   4.895  50.947   1.331 1 T          2.363e+01  0.00e+00 a   0 -         -         -          
 309   1.315  23.419   4.893 1 T          2.134e+01  0.00e+00 a   0 -         -         -          
 310   1.304  23.431   4.019 1 T          8.732e+00  0.00e+00 a   0 -         -         -          
 311   1.310  23.398   3.107 1 T          6.477e+00  0.00e+00 a   0 -         -         -          
 312   1.312  23.405   1.320 1 T          3.621e+02  0.00e+00 a   0 -         -         -          
 313   1.312  23.410   0.513 1 T          1.478e+01  0.00e+00 a   0 -         -         -          
 314   4.156  63.672   4.159 1 T          2.991e+02  0.00e+00 a   0 -         -         -          
 315   4.161  63.695   3.892 1 T          1.530e+01  0.00e+00 a   0 -         -         -          
 316   4.156  63.678   2.163 1 T          3.436e+01  0.00e+00 a   0 -         -         -          
 317   4.156  63.678   0.955 1 T          4.092e+01  0.00e+00 a   0 -         -         -          
 318   2.168  32.072   2.161 1 T          1.522e+02  0.00e+00 a   0 -         -         -          
 319   2.169  32.035   0.958 1 T          3.733e+01  0.00e+00 a   0 -         -         -          
 320   2.170  32.036   4.161 1 T          1.711e+01  0.00e+00 a   0 -         -         -          
 321   0.991  20.731   0.995 1 T          8.762e+02  0.00e+00 a   0 -         -         -          
 322   0.955  20.060   2.167 1 T          2.427e+01  0.00e+00 a   0 -         -         -          
 323   0.991  20.701   1.927 1 T          1.419e+01  0.00e+00 a   0 -         -         -          
 324   0.992  20.719   3.828 1 T          4.006e+01  0.00e+00 a   0 -         -         -          
 325   1.007  20.890   5.617 1 T          1.309e+01  0.00e+00 a   0 -         -         -          
 326   0.988  20.676   4.965 1 T          1.370e+01  0.00e+00 a   0 -         -         -          
 327   0.959  21.042   4.159 1 T          1.290e+01  0.00e+00 a   0 -         -         -          
 328   4.682  52.539   7.104 1 T          1.282e+01  0.00e+00 a   0 -         -         -          
 329   4.682  52.613   3.053 1 T          5.038e+01  0.00e+00 a   0 -         -         -          
 330   3.162  54.664   3.147 1 T          9.733e+01  0.00e+00 a   0 -         -         -          
 331   3.158  54.605   7.117 1 T          5.660e+00  0.00e+00 a   0 -         -         -          
 332   3.166  54.629   7.509 1 T          4.292e+00  0.00e+00 a   0 -         -         -          
 333   3.163  54.640   1.155 1 T          2.427e+01  0.00e+00 a   0 -         -         -          
 334   3.168  54.720   0.542 1 T          8.044e+00  0.00e+00 a   0 -         -         -          
 335   3.108  54.937   0.517 1 T          1.690e+01  0.00e+00 a   0 -         -         -          
 336   3.110  54.932   1.301 1 T          6.883e+00  0.00e+00 a   0 -         -         -          
 337   3.105  54.971   1.740 1 T          6.334e+00  0.00e+00 a   0 -         -         -          
 338   3.112  54.896   3.124 1 T          9.439e+01  0.00e+00 a   0 -         -         -          
 339   1.148  17.347   1.149 1 T          6.326e+02  0.00e+00 a   0 -         -         -          
 340   1.152  17.344   3.142 1 T          2.512e+01  0.00e+00 a   0 -         -         -          
 341   1.146  17.342   6.364 1 T          7.145e+00  0.00e+00 a   0 -         -         -          
 342   1.147  17.375   7.091 1 T          9.411e+00  0.00e+00 a   0 -         -         -          
 343   1.146  17.317   7.508 1 T          1.308e+01  0.00e+00 a   0 -         -         -          
 344   3.990  54.726   3.987 1 T          2.033e+02  0.00e+00 a   0 -         -         -          
 345   3.985  54.677   1.866 1 T          6.055e+00  0.00e+00 a   0 -         -         -          
 346   3.984  54.774   1.310 1 T          4.300e+01  0.00e+00 a   0 -         -         -          
 347   1.306  17.817   1.307 1 T          8.704e+02  0.00e+00 a   0 -         -         -          
 348   1.304  17.816   3.993 1 T          4.632e+01  0.00e+00 a   0 -         -         -          
 349   1.504  18.292   1.499 1 T          9.289e+02  0.00e+00 a   0 -         -         -          
 350   1.503  18.309   1.074 1 T          1.270e+01  0.00e+00 a   0 -         -         -          
 351   1.503  18.289   4.107 1 T          5.184e+01  0.00e+00 a   0 -         -         -          
 352   3.554  66.115   3.563 1 T          1.565e+02  0.00e+00 a   0 -         -         -          
 353   3.555  66.097   2.194 1 T          6.346e+00  0.00e+00 a   0 -         -         -          
 354   3.556  66.059   1.767 1 T          6.386e+00  0.00e+00 a   0 -         -         -          
 355   3.557  66.146   0.878 1 T          2.114e+01  0.00e+00 a   0 -         -         -          
 356   3.672  65.934   3.663 1 T          2.895e+02  0.00e+00 a   0 -         -         -          
 357   3.703  67.619   4.006 1 T          1.809e+01  0.00e+00 a   0 -         -         -          
 358   3.693  66.683   1.835 1 T          5.914e+00  0.00e+00 a   0 -         -         -          
 359   3.705  66.883   1.581 1 T          5.294e+00  0.00e+00 a   0 -         -         -          
 360   3.713  66.741   1.223 1 T          1.080e+01  0.00e+00 a   0 -         -         -          
 361   3.701  67.072  -0.139 1 T          5.044e+00  0.00e+00 a   0 -         -         -          
 362   4.014  67.749   4.015 1 T          6.169e+01  0.00e+00 a   0 -         -         -          
 363   4.016  66.894   3.709 1 T          1.165e+01  0.00e+00 a   0 -         -         -          
 364   4.020  67.753   1.236 1 T          1.513e+01  0.00e+00 a   0 -         -         -          
 365   4.017  67.687   0.951 1 T          3.970e+00  0.00e+00 a   0 -         -         -          
 366   1.247  21.433   2.921 1 T          5.359e+00  0.00e+00 a   0 -         -         -          
 367   0.542  17.427   7.211 1 T          6.491e+00  0.00e+00 a   0 -         -         -          
 368   0.542  17.376   3.130 1 T          1.567e+01  0.00e+00 a   0 -         -         -          
 369   0.544  17.384   1.310 1 T          9.651e+00  0.00e+00 a   0 -         -         -          
 370   0.545  17.388   0.545 1 T          1.596e+02  0.00e+00 a   0 -         -         -          
 371   2.789  59.647   6.585 1 T          3.059e+00  0.00e+00 a   0 -         -         -          
 372   2.793  59.596   7.108 1 T          2.433e+00  0.00e+00 a   0 -         -         -          
 373   2.801  59.704   2.795 1 T          6.846e+01  0.00e+00 a   0 -         -         -          
 374   2.803  59.736   1.998 1 T          6.757e+00  0.00e+00 a   0 -         -         -          
 375   2.806  59.727   1.610 1 T          1.096e+01  0.00e+00 a   0 -         -         -          
 376   1.951  29.449   4.206 1 T          2.492e+00  0.00e+00 a   0 -         -         -          
 377   1.952  29.330   1.274 1 T          4.251e+00  0.00e+00 a   0 -         -         -          
 378   2.014  29.371   2.766 1 T          4.486e+00  0.00e+00 a   0 -         -         -          
 379   2.018  29.531   1.597 1 T          6.767e+00  0.00e+00 a   0 -         -         -          
 380   2.013  29.381   1.316 1 T          2.885e+00  0.00e+00 a   0 -         -         -          
 381   1.995  29.264   7.251 1 T          2.422e+00  0.00e+00 a   0 -         -         -          
 382   1.834  29.277   7.190 1 T          2.159e+00  0.00e+00 a   0 -         -         -          
 383   1.823  29.293   4.203 1 T          2.329e+00  0.00e+00 a   0 -         -         -          
 384   1.840  29.276   2.806 1 T          2.429e+00  0.00e+00 a   0 -         -         -          
 385   1.781  28.992   1.725 1 T          8.456e+01  0.00e+00 a   0 -         -         -          
 386   1.827  29.454   1.280 1 T          4.055e+00  0.00e+00 a   0 -         -         -          
 387   1.622  35.854   1.234 1 T          2.614e+00  0.00e+00 a   0 -         -         -          
 388   1.617  35.827   1.608 1 T          6.122e+01  0.00e+00 a   0 -         -         -          
 389   1.622  35.843   2.787 1 T          4.688e+00  0.00e+00 a   0 -         -         -          
 390   1.638  35.848   7.187 1 T          2.471e+00  0.00e+00 a   0 -         -         -          
 391   1.604  35.852   7.191 1 T          2.577e+00  0.00e+00 a   0 -         -         -          
 392   3.730  59.471   3.727 1 T          1.369e+02  0.00e+00 a   0 -         -         -          
 393   3.729  59.462   1.825 1 T          2.575e+01  0.00e+00 a   0 -         -         -          
 394   3.726  59.455   1.608 1 T          1.302e+01  0.00e+00 a   0 -         -         -          
 395   3.733  59.470   1.312 1 T          6.972e+00  0.00e+00 a   0 -         -         -          
 396   1.837  32.108   0.917 1 T          2.265e+00  0.00e+00 a   0 -         -         -          
 397   2.522  41.907   6.374 1 T          2.950e+00  0.00e+00 a   0 -         -         -          
 398   2.533  41.969   4.133 1 T          5.974e+00  0.00e+00 a   0 -         -         -          
 399   2.533  42.023   2.816 1 T          3.505e+01  0.00e+00 a   0 -         -         -          
 400   2.531  41.987   2.533 1 T          7.109e+01  0.00e+00 a   0 -         -         -          
 401   1.720  31.602   1.719 1 T          5.901e+01  0.00e+00 a   0 -         -         -          
 402   1.713  31.610   3.084 1 T          3.433e+00  0.00e+00 a   0 -         -         -          
 403   1.723  31.552   3.532 1 T          2.689e+00  0.00e+00 a   0 -         -         -          
 404   1.723  31.961   4.025 1 T          2.883e+00  0.00e+00 a   0 -         -         -          
 405   1.717  31.521   0.877 1 T          1.229e+01  0.00e+00 a   0 -         -         -          
 406   1.717  31.527   0.463 1 T          3.288e+00  0.00e+00 a   0 -         -         -          
 407   0.711  20.252   3.559 1 T          6.763e+00  0.00e+00 a   0 -         -         -          
 408   0.712  20.174   6.640 1 T          4.905e+00  0.00e+00 a   0 -         -         -          
 409   0.713  20.326   1.723 1 T          1.309e+01  0.00e+00 a   0 -         -         -          
 410   0.715  20.315   0.722 1 T          3.149e+02  0.00e+00 a   0 -         -         -          
 411   0.879  21.737   3.563 1 T          2.349e+01  0.00e+00 a   0 -         -         -          
 412   0.878  21.746   1.726 1 T          2.085e+01  0.00e+00 a   0 -         -         -          
 413   0.877  21.729   0.884 1 T          5.339e+02  0.00e+00 a   0 -         -         -          
 414   4.583  58.286   3.242 1 T          5.315e+00  0.00e+00 a   0 -         -         -          
 415   4.531  56.145   2.947 1 T          7.857e+01  0.00e+00 a   0 -         -         -          
 416   4.581  58.203   2.672 1 T          2.434e+00  0.00e+00 a   0 -         -         -          
 417   4.590  58.203   6.590 1 T          1.044e+01  0.00e+00 a   0 -         -         -          
 418   2.684  37.658   6.586 1 T          3.296e+00  0.00e+00 a   0 -         -         -          
 419   2.667  37.928   4.565 1 T          1.669e+00  0.00e+00 a   0 -         -         -          
 420   2.672  37.733   3.029 1 T          5.811e+00  0.00e+00 a   0 -         -         -          
 421   2.649  41.138   2.654 1 T          2.727e+01  0.00e+00 a   0 -         -         -          
 422   2.649  41.138   2.654 1 T          2.727e+01  0.00e+00 a   0 -         -         -          
 423   1.614  31.966   3.999 1 T          3.591e+00  0.00e+00 a   0 -         -         -          
 424   1.630  31.980   3.733 1 T          3.418e+00  0.00e+00 a   0 -         -         -          
 425   1.623  31.945   1.652 1 T          3.527e+01  0.00e+00 a   0 -         -         -          
 426   1.626  31.981   0.770 1 T          2.172e+00  0.00e+00 a   0 -         -         -          
 427   1.740  32.031   3.745 1 T          2.392e+00  0.00e+00 a   0 -         -         -          
 428   0.965  25.976   0.771 1 T          1.370e+01  0.00e+00 a   0 -         -         -          
 429   0.965  25.962   1.209 1 T          5.216e+00  0.00e+00 a   0 -         -         -          
 430   0.979  25.798   1.683 1 T          3.073e+00  0.00e+00 a   0 -         -         -          
 431   1.245  28.975   1.236 1 T          8.030e+01  0.00e+00 a   0 -         -         -          
 432   1.246  28.908   2.025 1 T          3.414e+00  0.00e+00 a   0 -         -         -          
 433   2.059  41.263   1.987 1 T          3.740e+01  0.00e+00 a   0 -         -         -          
 434   1.950  41.261   2.015 1 T          3.731e+01  0.00e+00 a   0 -         -         -          
 435   1.950  41.296   1.252 1 T          3.053e+00  0.00e+00 a   0 -         -         -          
 436   2.062  41.294   1.243 1 T          2.671e+00  0.00e+00 a   0 -         -         -          
 437   1.948  41.362   0.775 1 T          1.892e+00  0.00e+00 a   0 -         -         -          
 438   4.043  58.679   2.962 1 T          7.947e+00  0.00e+00 a   0 -         -         -          
 439   4.051  58.631   2.426 1 T          7.440e+00  0.00e+00 a   0 -         -         -          
 440   4.049  58.690   2.197 1 T          1.870e+01  0.00e+00 a   0 -         -         -          
 441   4.046  58.682   1.978 1 T          5.293e+00  0.00e+00 a   0 -         -         -          
 442   2.202  28.244   2.197 1 T          6.934e+01  0.00e+00 a   0 -         -         -          
 443   2.202  28.244   2.197 1 T          6.934e+01  0.00e+00 a   0 -         -         -          
 444   2.200  28.238   2.405 1 T          1.794e+01  0.00e+00 a   0 -         -         -          
 445   2.199  28.231   3.560 1 T          2.482e+00  0.00e+00 a   0 -         -         -          
 446   2.215  28.176   4.023 1 T          5.699e+00  0.00e+00 a   0 -         -         -          
 447   2.455  33.528   2.426 1 T          5.787e+01  0.00e+00 a   0 -         -         -          
 448   2.452  33.507   2.214 1 T          1.872e+01  0.00e+00 a   0 -         -         -          
 449   2.457  33.555   1.954 1 T          1.116e+01  0.00e+00 a   0 -         -         -          
 450   2.452  33.389   4.030 1 T          1.919e+00  0.00e+00 a   0 -         -         -          
 451   3.243  38.152   3.235 1 T          2.817e+01  0.00e+00 a   0 -         -         -          
 452   3.237  38.177   2.311 1 T          5.080e+00  0.00e+00 a   0 -         -         -          
 453   3.230  38.241   4.269 1 T          3.335e+00  0.00e+00 a   0 -         -         -          
 454   3.240  38.043   4.597 1 T          2.166e+00  0.00e+00 a   0 -         -         -          
 455   3.239  38.209   6.737 1 T          3.821e+00  0.00e+00 a   0 -         -         -          
 456   3.520  37.418   3.511 1 T          1.089e+01  0.00e+00 a   0 -         -         -          
 457   3.523  37.403   3.342 1 T          8.494e+00  0.00e+00 a   0 -         -         -          
 458   3.536  37.390   4.006 1 T          1.855e+00  0.00e+00 a   0 -         -         -          
 459   3.528  37.451   7.414 1 T          2.371e+00  0.00e+00 a   0 -         -         -          
 460   4.578  56.729   5.032 1 T          1.886e+01  0.00e+00 a   0 -         -         -          
 461   2.920  38.653   4.565 1 T          3.400e+00  0.00e+00 a   0 -         -         -          
 462   2.932  38.651   4.010 1 T          3.542e+00  0.00e+00 a   0 -         -         -          
 463   2.996  38.679   4.557 1 T          3.833e+00  0.00e+00 a   0 -         -         -          
 464   2.980  38.654   4.015 1 T          2.874e+00  0.00e+00 a   0 -         -         -          
 465   2.997  38.632   2.959 1 T          7.255e+01  0.00e+00 a   0 -         -         -          
 466   2.928  38.472   2.962 1 T          8.626e+01  0.00e+00 a   0 -         -         -          
 467   4.422  56.631   4.433 1 T          1.219e+02  0.00e+00 a   0 -         -         -          
 468   4.421  56.684   2.786 1 T          1.227e+01  0.00e+00 a   0 -         -         -          
 469   2.783  40.249   4.420 1 T          3.755e+00  0.00e+00 a   0 -         -         -          
 470   4.583  54.104   4.580 1 T          1.347e+02  0.00e+00 a   0 -         -         -          
 471   4.583  53.883   1.709 1 T          4.304e+00  0.00e+00 a   0 -         -         -          
 472   4.582  53.996   1.342 1 T          1.097e+01  0.00e+00 a   0 -         -         -          
 473   4.584  53.968   0.631 1 T          9.369e+00  0.00e+00 a   0 -         -         -          
 474   2.210  39.919   2.702 1 T          1.016e+01  0.00e+00 a   0 -         -         -          
 475   2.212  40.042   2.207 1 T          1.003e+01  0.00e+00 a   0 -         -         -          
 476   2.206  40.045   4.654 1 T          1.994e+00  0.00e+00 a   0 -         -         -          
 477   3.934  46.677   3.928 1 T          9.530e+01  0.00e+00 a   0 -         -         -          
 478   1.329  44.192   4.588 1 T          3.658e+00  0.00e+00 a   0 -         -         -          
 479   1.331  44.181   1.722 1 T          6.051e+00  0.00e+00 a   0 -         -         -          
 480   1.333  44.238   1.367 1 T          2.601e+01  0.00e+00 a   0 -         -         -          
 481   1.337  44.241   0.639 1 T          3.084e+00  0.00e+00 a   0 -         -         -          
 482   1.421  44.180   0.614 1 T          3.384e+00  0.00e+00 a   0 -         -         -          
 483   1.416  44.159   4.564 1 T          2.736e+00  0.00e+00 a   0 -         -         -          
 484   1.341  27.144   4.546 1 T          2.015e+00  0.00e+00 a   0 -         -         -          
 485   1.287  24.715   4.199 1 T          2.481e+00  0.00e+00 a   0 -         -         -          
 486   1.337  25.011   1.831 1 T          7.655e+00  0.00e+00 a   0 -         -         -          
 487   1.175  24.575   1.227 1 T          2.984e+01  0.00e+00 a   0 -         -         -          
 488   1.166  24.685   1.946 1 T          4.594e+00  0.00e+00 a   0 -         -         -          
 489   3.415  44.107   2.957 1 T          1.059e+01  0.00e+00 a   0 -         -         -          
 490   3.412  44.167   3.409 1 T          1.286e+01  0.00e+00 a   0 -         -         -          
 491   3.409  44.085   0.518 1 T          2.986e+00  0.00e+00 a   0 -         -         -          
 492   3.400  44.063   5.364 1 T          2.806e+00  0.00e+00 a   0 -         -         -          
 493   3.401  44.115   7.119 1 T          3.168e+00  0.00e+00 a   0 -         -         -          
 494   3.405  44.120   7.376 1 T          4.949e+00  0.00e+00 a   0 -         -         -          
 495   4.186  56.643   6.368 1 T          7.164e+00  0.00e+00 a   0 -         -         -          
 496   4.138  56.177   6.378 1 T          9.569e+00  0.00e+00 a   0 -         -         -          
 497   4.103  54.956   4.106 1 T          2.502e+02  0.00e+00 a   0 -         -         -          
 498   4.138  56.192   2.808 1 T          2.030e+01  0.00e+00 a   0 -         -         -          
 499   4.142  56.166   2.554 1 T          1.170e+01  0.00e+00 a   0 -         -         -          
 500   4.193  56.680   1.895 1 T          1.041e+01  0.00e+00 a   0 -         -         -          
 501   4.188  56.711   1.464 1 T          8.072e+00  0.00e+00 a   0 -         -         -          
 502   4.185  56.695   1.233 1 T          9.910e+00  0.00e+00 a   0 -         -         -          
 503   5.162  57.811   7.472 1 T          2.624e+00  0.00e+00 a   0 -         -         -          
 504   5.161  57.673   5.381 1 T          1.787e+01  0.00e+00 a   0 -         -         -          
 505   5.159  57.688   5.160 1 T          7.825e+01  0.00e+00 a   0 -         -         -          
 506   5.159  57.688   4.369 1 T          1.271e+01  0.00e+00 a   0 -         -         -          
 507   5.161  57.703   3.231 1 T          1.627e+01  0.00e+00 a   0 -         -         -          
 508   5.165  57.706  -0.860 1 T          2.756e+00  0.00e+00 a   0 -         -         -          
 509   3.240  30.030   3.228 1 T          3.478e+01  0.00e+00 a   0 -         -         -          
 510   3.242  30.057   5.155 1 T          2.759e+00  0.00e+00 a   0 -         -         -          
 511   3.234  29.977   7.490 1 T          3.791e+00  0.00e+00 a   0 -         -         -          
 512   4.245  71.795   4.243 1 T          1.671e+02  0.00e+00 a   0 -         -         -          
 513   4.250  71.788   4.814 1 T          1.607e+01  0.00e+00 a   0 -         -         -          
 514   4.244  71.777   1.228 1 T          3.344e+01  0.00e+00 a   0 -         -         -          
 515   1.139  21.862   0.757 1 T          1.779e+01  0.00e+00 a   0 -         -         -          
 516   4.954  56.912   4.949 1 T          6.322e+01  0.00e+00 a   0 -         -         -          
 517   4.954  56.843   5.700 1 T          1.346e+01  0.00e+00 a   0 -         -         -          
 518   4.956  57.014   2.963 1 T          7.686e+00  0.00e+00 a   0 -         -         -          
 519   4.952  57.004   2.573 1 T          5.182e+00  0.00e+00 a   0 -         -         -          
 520   4.956  57.163   1.093 1 T          1.664e+00  0.00e+00 a   0 -         -         -          
 521   2.956  41.581   2.585 1 T          1.089e+01  0.00e+00 a   0 -         -         -          
 522   2.963  41.458   4.972 1 T          2.856e+00  0.00e+00 a   0 -         -         -          
 523   2.578  41.455   4.935 1 T          2.374e+00  0.00e+00 a   0 -         -         -          
 524   2.608  40.161   2.776 1 T          2.781e+01  0.00e+00 a   0 -         -         -          
 525   4.592  51.762   4.598 1 T          1.694e+02  0.00e+00 a   0 -         -         -          
 526   4.599  51.847   2.605 1 T          1.106e+01  0.00e+00 a   0 -         -         -          
 527   4.593  51.751   2.249 1 T          1.779e+01  0.00e+00 a   0 -         -         -          
 528   2.648  43.154   2.673 1 T          7.666e+01  0.00e+00 a   0 -         -         -          
 529   2.717  43.171   2.660 1 T          5.378e+01  0.00e+00 a   0 -         -         -          
 530   2.716  43.093   4.888 1 T          5.597e+00  0.00e+00 a   0 -         -         -          
 531   2.651  43.143   4.892 1 T          5.833e+00  0.00e+00 a   0 -         -         -          
 532   2.617  43.008   4.604 1 T          3.699e+00  0.00e+00 a   0 -         -         -          
 533   2.617  43.032   2.258 1 T          2.196e+01  0.00e+00 a   0 -         -         -          
 534   2.618  43.057   3.791 1 T          2.112e+00  0.00e+00 a   0 -         -         -          
 535   2.258  43.047   2.258 1 T          2.392e+01  0.00e+00 a   0 -         -         -          
 536   2.266  43.037   2.606 1 T          1.886e+01  0.00e+00 a   0 -         -         -          
 537   2.260  43.024   4.592 1 T          5.372e+00  0.00e+00 a   0 -         -         -          
 538   4.104  54.957   1.499 1 T          5.653e+01  0.00e+00 a   0 -         -         -          
 539   4.133  56.196   1.212 1 T          3.817e+00  0.00e+00 a   0 -         -         -          
 540   4.103  54.978  -0.800 1 T          1.826e+00  0.00e+00 a   0 -         -         -          
 541   1.513  18.294   8.332 1 T          2.548e+00  0.00e+00 a   0 -         -         -          
 542   1.506  18.343   4.391 1 T          2.885e+00  0.00e+00 a   0 -         -         -          
 543   4.396  70.141   4.392 1 T          1.746e+02  0.00e+00 a   0 -         -         -          
 544   4.400  70.095   3.785 1 T          2.457e+00  0.00e+00 a   0 -         -         -          
 545   4.391  70.151   1.064 1 T          3.485e+01  0.00e+00 a   0 -         -         -          
 546   1.076  21.082   3.818 1 T          2.394e+00  0.00e+00 a   0 -         -         -          
 547   4.189  56.670   7.400 1 T          2.791e+00  0.00e+00 a   0 -         -         -          
 548   4.190  56.703   4.186 1 T          1.036e+02  0.00e+00 a   0 -         -         -          
 549   4.200  56.561   2.949 1 T          2.223e+00  0.00e+00 a   0 -         -         -          
 550   1.150  24.849   2.872 1 T          2.405e+00  0.00e+00 a   0 -         -         -          
 551   1.161  24.473   4.173 1 T          2.308e+00  0.00e+00 a   0 -         -         -          
 552   1.286  28.339   4.186 1 T          2.262e+00  0.00e+00 a   0 -         -         -          
 553   1.294  28.238   2.922 1 T          4.661e+00  0.00e+00 a   0 -         -         -          
 554   1.320  28.219   1.931 1 T          3.957e+00  0.00e+00 a   0 -         -         -          
 555   1.337  26.962   1.346 1 T          4.583e+01  0.00e+00 a   0 -         -         -          
 556   5.615  61.768   5.611 1 T          1.142e+02  0.00e+00 a   0 -         -         -          
 557   5.616  61.589   7.734 1 T          1.669e+00  0.00e+00 a   0 -         -         -          
 558   5.625  61.772   3.788 1 T          5.605e+00  0.00e+00 a   0 -         -         -          
 559   5.615  61.803   1.939 1 T          6.975e+00  0.00e+00 a   0 -         -         -          
 560   5.613  61.622   1.500 1 T          1.668e+00  0.00e+00 a   0 -         -         -          
 561   5.623  61.819   1.008 1 T          1.563e+01  0.00e+00 a   0 -         -         -          
 562   3.780  72.246   1.002 1 T          2.520e+01  0.00e+00 a   0 -         -         -          
 563   1.007  20.890   5.617 1 T          1.309e+01  0.00e+00 a   0 -         -         -          
 564   0.959  21.042   4.159 1 T          1.290e+01  0.00e+00 a   0 -         -         -          
 565   0.992  20.719   3.828 1 T          4.006e+01  0.00e+00 a   0 -         -         -          
 566   0.991  20.701   1.927 1 T          1.419e+01  0.00e+00 a   0 -         -         -          
 567   1.002  20.778   1.473 1 T          1.137e+01  0.00e+00 a   0 -         -         -          
 568   5.684  57.114   3.066 1 T          6.343e+00  0.00e+00 a   0 -         -         -          
 569   5.683  57.245   1.014 1 T          1.826e+00  0.00e+00 a   0 -         -         -          
 570   5.688  57.108   4.955 1 T          1.151e+01  0.00e+00 a   0 -         -         -          
 571   5.686  57.094   5.698 1 T          4.528e+01  0.00e+00 a   0 -         -         -          
 572   5.685  57.173   7.773 1 T          3.797e+00  0.00e+00 a   0 -         -         -          
 573   4.948  62.290   4.954 1 T          6.558e+01  0.00e+00 a   0 -         -         -          
 574   4.948  62.250   3.839 1 T          4.184e+00  0.00e+00 a   0 -         -         -          
 575   4.956  62.224   1.931 1 T          7.936e+00  0.00e+00 a   0 -         -         -          
 576   4.947  62.256   0.984 1 T          1.540e+01  0.00e+00 a   0 -         -         -          
 577   5.068  62.168   4.962 1 T          1.058e+01  0.00e+00 a   0 -         -         -          
 578   5.070  62.099   1.925 1 T          1.918e+00  0.00e+00 a   0 -         -         -          
 579   5.066  62.141   0.989 1 T          3.482e+00  0.00e+00 a   0 -         -         -          
 580   5.066  62.292   0.776 1 T          1.613e+00  0.00e+00 a   0 -         -         -          
 581   0.828  32.118   4.334 1 T          2.724e+00  0.00e+00 a   0 -         -         -          
 582   0.829  32.155   0.827 1 T          2.568e+01  0.00e+00 a   0 -         -         -          
 583   0.827  32.183   0.069 1 T          6.136e+00  0.00e+00 a   0 -         -         -          
 584   0.841  32.113  -0.165 1 T          4.986e+00  0.00e+00 a   0 -         -         -          
 585   0.809  32.176  -0.869 1 T          4.419e+00  0.00e+00 a   0 -         -         -          
 586   0.831  32.026  -0.464 1 T          2.261e+00  0.00e+00 a   0 -         -         -          
 587  -0.852  18.701  -0.858 1 T          1.162e+02  0.00e+00 a   0 -         -         -          
 588  -0.850  18.718  -0.474 1 T          2.563e+01  0.00e+00 a   0 -         -         -          
 589  -0.849  18.769  -0.172 1 T          8.295e+00  0.00e+00 a   0 -         -         -          
 590  -0.849  18.707   0.076 1 T          3.072e+00  0.00e+00 a   0 -         -         -          
 591  -0.849  18.771   0.815 1 T          5.215e+00  0.00e+00 a   0 -         -         -          
 592  -0.858  18.771   4.374 1 T          4.083e+00  0.00e+00 a   0 -         -         -          
 593  -0.853  18.758   7.481 1 T          1.445e+00  0.00e+00 a   0 -         -         -          
 594  -0.171  19.653  -0.164 1 T          1.657e+02  0.00e+00 a   0 -         -         -          
 595  -0.170  19.634   0.101 1 T          3.880e+01  0.00e+00 a   0 -         -         -          
 596  -0.172  19.578   0.819 1 T          7.121e+00  0.00e+00 a   0 -         -         -          
 597  -0.177  19.627   4.176 1 T          4.697e+00  0.00e+00 a   0 -         -         -          
 598  -0.174  19.663   4.375 1 T          5.487e+00  0.00e+00 a   0 -         -         -          
 599   4.734  61.263   4.731 1 T          1.262e+02  0.00e+00 a   0 -         -         -          
 600   4.735  61.420   1.263 1 T          1.137e+01  0.00e+00 a   0 -         -         -          
 601   3.972  70.489   2.031 1 T          4.147e+00  0.00e+00 a   0 -         -         -          
 602   3.975  70.588   1.248 1 T          2.749e+01  0.00e+00 a   0 -         -         -          
 603   3.964  70.637   4.716 1 T          6.315e+00  0.00e+00 a   0 -         -         -          
 604   3.976  70.575   3.968 1 T          1.223e+02  0.00e+00 a   0 -         -         -          
 605   4.203  58.357   4.214 1 T          1.769e+02  0.00e+00 a   0 -         -         -          
 606   4.201  58.349   3.691 1 T          6.119e+00  0.00e+00 a   0 -         -         -          
 607   4.200  58.345   2.361 1 T          1.119e+01  0.00e+00 a   0 -         -         -          
 608   4.203  58.328   2.144 1 T          8.826e+00  0.00e+00 a   0 -         -         -          
 609   4.202  58.335   1.935 1 T          8.781e+00  0.00e+00 a   0 -         -         -          
 610   1.964  31.379   2.005 1 T          5.752e+01  0.00e+00 a   0 -         -         -          
 611   1.953  32.525   4.200 1 T          3.300e+00  0.00e+00 a   0 -         -         -          
 612   1.957  32.520   4.492 1 T          2.576e+00  0.00e+00 a   0 -         -         -          
 613   1.964  31.379   2.005 1 T          5.752e+01  0.00e+00 a   0 -         -         -          
 614   2.314  36.997   4.207 1 T          3.254e+00  0.00e+00 a   0 -         -         -          
 615   2.333  36.353   2.252 1 T          1.251e+02  0.00e+00 a   0 -         -         -          
 616  -0.029  13.402  -0.022 1 T          7.527e+00  0.00e+00 a   0 -         -         -          
 617  -0.034  13.430   0.465 1 T          2.470e+01  0.00e+00 a   0 -         -         -          
 618  -0.469  19.434  -0.480 1 T          4.147e+00  0.00e+00 a   0 -         -         -          
 619  -0.461  19.344  -0.853 1 T          1.477e+01  0.00e+00 a   0 -         -         -          
 620   0.110  19.769  -0.164 1 T          2.307e+01  0.00e+00 a   0 -         -         -          
 621   0.455  25.022   0.841 1 T          4.003e+01  0.00e+00 a   0 -         -         -          
 622   0.460  25.049   0.454 1 T          1.110e+01  0.00e+00 a   0 -         -         -          
 623   2.959  31.062   2.954 1 T          8.639e+02  0.00e+00 a   0 -         -         -          
 624   2.957  30.996   4.548 1 T          2.370e+01  0.00e+00 a   0 -         -         -          
 625   2.964  30.954   6.846 1 T          5.275e+00  0.00e+00 a   0 -         -         -          
 626   2.705  39.911   2.220 1 T          1.217e+01  0.00e+00 a   0 -         -         -          
 627   2.958  41.422   7.765 1 T          2.292e+00  0.00e+00 a   0 -         -         -          
 628   3.007  41.391   7.748 1 T          3.428e+00  0.00e+00 a   0 -         -         -          
 629   3.108  41.364   7.772 1 T          3.578e+00  0.00e+00 a   0 -         -         -          
 630   3.109  41.383   5.688 1 T          2.251e+00  0.00e+00 a   0 -         -         -          
 631   3.118  41.594   5.433 1 T          2.697e+00  0.00e+00 a   0 -         -         -          
 632   3.006  41.288   5.690 1 T          1.683e+00  0.00e+00 a   0 -         -         -          
 633   3.004  41.522   5.406 1 T          2.009e+00  0.00e+00 a   0 -         -         -          
 634  -0.860  18.858   6.583 1 T          1.814e+00  0.00e+00 a   0 -         -         -
;


   loop_
      _Spectral_dim.ID
      _Spectral_dim.Axis_code
      _Spectral_dim.Spectrometer_frequency
      _Spectral_dim.Atom_type
      _Spectral_dim.Atom_isotope_number
      _Spectral_dim.Spectral_region
      _Spectral_dim.Magnetization_linkage_ID
      _Spectral_dim.Under_sampling_type
      _Spectral_dim.Sweep_width
      _Spectral_dim.Sweep_width_units
      _Spectral_dim.Value_first_point
      _Spectral_dim.Absolute_peak_positions
      _Spectral_dim.Acquisition
      _Spectral_dim.Center_frequency_offset
      _Spectral_dim.Encoding_code
      _Spectral_dim.Encoded_reduced_dimension_ID
      _Spectral_dim.Entry_ID
      _Spectral_dim.Spectral_peak_list_ID

      1   .   .   H   1    H-aliphatic   .   aliased   14.019506193   ppm   .   .   .   4.773    .   .   30222   3
      2   .   .   N   15   C-aliphatic   .   aliased   70.014740325   ppm   .   .   .   45.736   .   .   30222   3
      3   .   .   H   1    H             .   aliased   14.019506193   ppm   .   .   .   4.773    .   .   30222   3
   stop_
save_