data_10219

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

save_entry_information
   _Entry.Sf_category                    entry_information
   _Entry.Sf_framecode                   entry_information
   _Entry.ID                             10219
   _Entry.Title                         
;
Solution structure of the C2H2 type zinc finger (region 441-469) of human Zinc 
finger protein 268
;
   _Entry.Type                           macromolecule
   _Entry.Version_type                   original
   _Entry.Submission_date                2008-05-22
   _Entry.Accession_date                 2008-05-22
   _Entry.Last_release_date              2009-05-28
   _Entry.Original_release_date          2009-05-28
   _Entry.Origination                    author
   _Entry.NMR_STAR_version               3.1.1.61
   _Entry.Original_NMR_STAR_version      3.0.8.120
   _Entry.Experimental_method            NMR
   _Entry.Experimental_method_subtype    solution
   _Entry.Details                        .
   _Entry.BMRB_internal_directory_name   .

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

       1 N. Tochio    . . . 10219 
       2 T. Tomizawa  . . . 10219 
       3 H. Abe       . . . 10219 
       4 K. Saito     . . . 10219 
       5 H. Li        . . . 10219 
       6 M. Sato      . . . 10219 
       7 S. Koshiba   . . . 10219 
       8 N. Kobayashi . . . 10219 
       9 T. Kigawa    . . . 10219 
      10 S. Yokoyama  . . . 10219 

   stop_

   loop_
      _SG_project.SG_project_ID
      _SG_project.Project_name
      _SG_project.Full_name_of_center
      _SG_project.Initial_of_center
      _SG_project.Entry_ID

      1 'Protein 3000 Project' 'Protein Research Group, RIKEN Genomic Sciences Center' 'RIKEN GSC' 10219 

   stop_

   loop_
      _Data_set.Type
      _Data_set.Count
      _Data_set.Entry_ID

      assigned_chemical_shifts 1 10219 

   stop_

   loop_
      _Datum.Type
      _Datum.Count
      _Datum.Entry_ID

      '13C chemical shifts' 156 10219 
      '15N chemical shifts'  36 10219 
      '1H chemical shifts'  232 10219 

   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

      1 . . 2009-05-28 2008-05-22 original author . 10219 

   stop_

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

      PDB 2EOK 'BMRB Entry Tracking System' 10219 

   stop_

save_


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

save_citation_1
   _Citation.Sf_category                  citations
   _Citation.Sf_framecode                 citation_1
   _Citation.Entry_ID                     10219
   _Citation.ID                           1
   _Citation.Class                       'entry citation'
   _Citation.CAS_abstract_code            .
   _Citation.MEDLINE_UI_code              .
   _Citation.DOI                          .
   _Citation.PubMed_ID                    .
   _Citation.Full_citation                .
   _Citation.Title                       
;
Solution structure of the C2H2 type zinc finger (region 441-469) of human Zinc 
finger protein 268
;
   _Citation.Status                      'in preparation'
   _Citation.Type                         journal
   _Citation.Journal_abbrev               .
   _Citation.Journal_name_full            .
   _Citation.Journal_volume               .
   _Citation.Journal_issue                .
   _Citation.Journal_ASTM                 .
   _Citation.Journal_ISSN                 .
   _Citation.Journal_CSD                  .
   _Citation.Book_title                   .
   _Citation.Book_chapter_title           .
   _Citation.Book_volume                  .
   _Citation.Book_series                  .
   _Citation.Book_publisher               .
   _Citation.Book_publisher_city          .
   _Citation.Book_ISBN                    .
   _Citation.Conference_title             .
   _Citation.Conference_site              .
   _Citation.Conference_state_province    .
   _Citation.Conference_country           .
   _Citation.Conference_start_date        .
   _Citation.Conference_end_date          .
   _Citation.Conference_abstract_number   .
   _Citation.Thesis_institution           .
   _Citation.Thesis_institution_city      .
   _Citation.Thesis_institution_country   .
   _Citation.WWW_URL                      .
   _Citation.Page_first                   .
   _Citation.Page_last                    .
   _Citation.Year                         .
   _Citation.Details                      .

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

       1 N. Tochio    . . . 10219 1 
       2 T. Tomizawa  . . . 10219 1 
       3 H. Abe       . . . 10219 1 
       4 K. Saito     . . . 10219 1 
       5 H. Li        . . . 10219 1 
       6 M. Sato      . . . 10219 1 
       7 S. Koshiba   . . . 10219 1 
       8 N. Kobayashi . . . 10219 1 
       9 T. Kigawa    . . . 10219 1 
      10 S. Yokoyama  . . . 10219 1 

   stop_

save_


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

save_assembly
   _Assembly.Sf_category                       assembly
   _Assembly.Sf_framecode                      assembly
   _Assembly.Entry_ID                          10219
   _Assembly.ID                                1
   _Assembly.Name                             'Zinc finger protein 268'
   _Assembly.BMRB_code                         .
   _Assembly.Number_of_components              2
   _Assembly.Organic_ligands                   .
   _Assembly.Metal_ions                        1
   _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 'zf-C2H2 domain' 1 $entity_1 . . yes native no no . . . 10219 1 
      2 'ZINC ION'       2 $ZN       . . no  native no no . . . 10219 1 

   stop_

   loop_
      _Bond.ID
      _Bond.Type
      _Bond.Value_order
      _Bond.Assembly_atom_ID_1
      _Bond.Entity_assembly_ID_1
      _Bond.Entity_assembly_name_1
      _Bond.Entity_ID_1
      _Bond.Comp_ID_1
      _Bond.Comp_index_ID_1
      _Bond.Seq_ID_1
      _Bond.Atom_ID_1
      _Bond.Assembly_atom_ID_2
      _Bond.Entity_assembly_ID_2
      _Bond.Entity_assembly_name_2
      _Bond.Entity_ID_2
      _Bond.Comp_ID_2
      _Bond.Comp_index_ID_2
      _Bond.Seq_ID_2
      _Bond.Atom_ID_2
      _Bond.Auth_entity_assembly_ID_1
      _Bond.Auth_entity_assembly_name_1
      _Bond.Auth_seq_ID_1
      _Bond.Auth_comp_ID_1
      _Bond.Auth_atom_ID_1
      _Bond.Auth_entity_assembly_ID_2
      _Bond.Auth_entity_assembly_name_2
      _Bond.Auth_seq_ID_2
      _Bond.Auth_comp_ID_2
      _Bond.Auth_atom_ID_2
      _Bond.Entry_ID
      _Bond.Assembly_ID

      1 coordination single . 1 'zf-C2H2 domain' 1 CYS 13 13 SG  . 2 'ZINC ION' 2 ZN 1 1 ZN . . 13 CYS SG  . . . . ZN 10219 1 
      2 coordination single . 1 'zf-C2H2 domain' 1 CYS 16 16 SG  . 2 'ZINC ION' 2 ZN 1 1 ZN . . 16 CYS SG  . . . . ZN 10219 1 
      3 coordination single . 1 'zf-C2H2 domain' 1 HIS 29 29 NE2 . 2 'ZINC ION' 2 ZN 1 1 ZN . . 29 HIS NE2 . . . . ZN 10219 1 
      4 coordination single . 1 'zf-C2H2 domain' 1 HIS 33 33 NE2 . 2 'ZINC ION' 2 ZN 1 1 ZN . . 33 HIS NE2 . . . . ZN 10219 1 

   stop_

   loop_
      _Entity_deleted_atom.ID
      _Entity_deleted_atom.Entity_atom_list_ID
      _Entity_deleted_atom.Entity_assembly_ID
      _Entity_deleted_atom.Entity_ID
      _Entity_deleted_atom.Comp_ID
      _Entity_deleted_atom.Comp_index_ID
      _Entity_deleted_atom.Seq_ID
      _Entity_deleted_atom.Atom_ID
      _Entity_deleted_atom.Auth_entity_assembly_ID
      _Entity_deleted_atom.Auth_seq_ID
      _Entity_deleted_atom.Auth_comp_ID
      _Entity_deleted_atom.Auth_atom_ID
      _Entity_deleted_atom.Entry_ID
      _Entity_deleted_atom.Assembly_ID

      . . 1 1 HIS 29 29 HE2 . 29 HIS HE2 10219 1 
      . . 1 1 HIS 33 33 HE2 . 33 HIS HE2 10219 1 
      . . 1 1 CYS 13 13 HG  . 13 CYS HG  10219 1 
      . . 1 1 CYS 16 16 HG  . 16 CYS HG  10219 1 

   stop_

   loop_
      _Assembly_db_link.Author_supplied
      _Assembly_db_link.Database_code
      _Assembly_db_link.Accession_code
      _Assembly_db_link.Entry_mol_code
      _Assembly_db_link.Entry_mol_name
      _Assembly_db_link.Entry_experimental_method
      _Assembly_db_link.Entry_structure_resolution
      _Assembly_db_link.Entry_relation_type
      _Assembly_db_link.Entry_details
      _Assembly_db_link.Entry_ID
      _Assembly_db_link.Assembly_ID

      . PDB 2EOK . . . . . . 10219 1 

   stop_

save_


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

save_entity_1
   _Entity.Sf_category                       entity
   _Entity.Sf_framecode                      entity_1
   _Entity.Entry_ID                          10219
   _Entity.ID                                1
   _Entity.BMRB_code                         .
   _Entity.Name                             'zf-C2H2 domain'
   _Entity.Type                              polymer
   _Entity.Polymer_common_type               .
   _Entity.Polymer_type                      polypeptide(L)
   _Entity.Polymer_type_details              .
   _Entity.Polymer_strand_ID                 .
   _Entity.Polymer_seq_one_letter_code_can   .
   _Entity.Polymer_seq_one_letter_code      
;
GSSGSSGEKPYVCSDCGKAF
TFKSQLIVHQGIHTGVSGPS
SG
;
   _Entity.Target_identifier                 .
   _Entity.Polymer_author_defined_seq        .
   _Entity.Polymer_author_seq_details        .
   _Entity.Ambiguous_conformational_states   no
   _Entity.Ambiguous_chem_comp_sites         no
   _Entity.Nstd_monomer                      no
   _Entity.Nstd_chirality                    no
   _Entity.Nstd_linkage                      no
   _Entity.Nonpolymer_comp_ID                .
   _Entity.Nonpolymer_comp_label             .
   _Entity.Number_of_monomers                42
   _Entity.Number_of_nonpolymer_components   .
   _Entity.Paramagnetic                      no
   _Entity.Thiol_state                      'all other bound'
   _Entity.Src_method                        .
   _Entity.Parent_entity_ID                  .
   _Entity.Fragment                          .
   _Entity.Mutation                          .
   _Entity.EC_number                         .
   _Entity.Calc_isoelectric_point            .
   _Entity.Formula_weight                    .
   _Entity.Formula_weight_exptl              .
   _Entity.Formula_weight_exptl_meth         .
   _Entity.Details                           .
   _Entity.DB_query_date                     .
   _Entity.DB_query_revised_last_date        2014-05-12

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

      no PDB 2EOK . "Solution Structure Of The C2h2 Type Zinc Finger (Region 441- 469) Of Human Zinc Finger Protein 268" . . . . . 100.00 42 100.00 100.00 9.84e-20 . . . . 10219 1 

   stop_

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

      'zf-C2H2 domain' . 10219 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 . GLY . 10219 1 
       2 . SER . 10219 1 
       3 . SER . 10219 1 
       4 . GLY . 10219 1 
       5 . SER . 10219 1 
       6 . SER . 10219 1 
       7 . GLY . 10219 1 
       8 . GLU . 10219 1 
       9 . LYS . 10219 1 
      10 . PRO . 10219 1 
      11 . TYR . 10219 1 
      12 . VAL . 10219 1 
      13 . CYS . 10219 1 
      14 . SER . 10219 1 
      15 . ASP . 10219 1 
      16 . CYS . 10219 1 
      17 . GLY . 10219 1 
      18 . LYS . 10219 1 
      19 . ALA . 10219 1 
      20 . PHE . 10219 1 
      21 . THR . 10219 1 
      22 . PHE . 10219 1 
      23 . LYS . 10219 1 
      24 . SER . 10219 1 
      25 . GLN . 10219 1 
      26 . LEU . 10219 1 
      27 . ILE . 10219 1 
      28 . VAL . 10219 1 
      29 . HIS . 10219 1 
      30 . GLN . 10219 1 
      31 . GLY . 10219 1 
      32 . ILE . 10219 1 
      33 . HIS . 10219 1 
      34 . THR . 10219 1 
      35 . GLY . 10219 1 
      36 . VAL . 10219 1 
      37 . SER . 10219 1 
      38 . GLY . 10219 1 
      39 . PRO . 10219 1 
      40 . SER . 10219 1 
      41 . SER . 10219 1 
      42 . GLY . 10219 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

      . GLY  1  1 10219 1 
      . SER  2  2 10219 1 
      . SER  3  3 10219 1 
      . GLY  4  4 10219 1 
      . SER  5  5 10219 1 
      . SER  6  6 10219 1 
      . GLY  7  7 10219 1 
      . GLU  8  8 10219 1 
      . LYS  9  9 10219 1 
      . PRO 10 10 10219 1 
      . TYR 11 11 10219 1 
      . VAL 12 12 10219 1 
      . CYS 13 13 10219 1 
      . SER 14 14 10219 1 
      . ASP 15 15 10219 1 
      . CYS 16 16 10219 1 
      . GLY 17 17 10219 1 
      . LYS 18 18 10219 1 
      . ALA 19 19 10219 1 
      . PHE 20 20 10219 1 
      . THR 21 21 10219 1 
      . PHE 22 22 10219 1 
      . LYS 23 23 10219 1 
      . SER 24 24 10219 1 
      . GLN 25 25 10219 1 
      . LEU 26 26 10219 1 
      . ILE 27 27 10219 1 
      . VAL 28 28 10219 1 
      . HIS 29 29 10219 1 
      . GLN 30 30 10219 1 
      . GLY 31 31 10219 1 
      . ILE 32 32 10219 1 
      . HIS 33 33 10219 1 
      . THR 34 34 10219 1 
      . GLY 35 35 10219 1 
      . VAL 36 36 10219 1 
      . SER 37 37 10219 1 
      . GLY 38 38 10219 1 
      . PRO 39 39 10219 1 
      . SER 40 40 10219 1 
      . SER 41 41 10219 1 
      . GLY 42 42 10219 1 

   stop_

save_


save_ZN
   _Entity.Sf_category                       entity
   _Entity.Sf_framecode                      ZN
   _Entity.Entry_ID                          10219
   _Entity.ID                                2
   _Entity.BMRB_code                         .
   _Entity.Name                              ZN
   _Entity.Type                              non-polymer
   _Entity.Polymer_common_type               .
   _Entity.Polymer_type                      .
   _Entity.Polymer_type_details              .
   _Entity.Polymer_strand_ID                 .
   _Entity.Polymer_seq_one_letter_code_can   .
   _Entity.Polymer_seq_one_letter_code       .
   _Entity.Target_identifier                 .
   _Entity.Polymer_author_defined_seq        .
   _Entity.Polymer_author_seq_details        .
   _Entity.Ambiguous_conformational_states   .
   _Entity.Ambiguous_chem_comp_sites         .
   _Entity.Nstd_monomer                      .
   _Entity.Nstd_chirality                    .
   _Entity.Nstd_linkage                      .
   _Entity.Nonpolymer_comp_ID                ZN
   _Entity.Nonpolymer_comp_label            $chem_comp_ZN
   _Entity.Number_of_monomers                .
   _Entity.Number_of_nonpolymer_components   .
   _Entity.Paramagnetic                      .
   _Entity.Thiol_state                       .
   _Entity.Src_method                        .
   _Entity.Parent_entity_ID                  2
   _Entity.Fragment                          .
   _Entity.Mutation                          .
   _Entity.EC_number                         .
   _Entity.Calc_isoelectric_point            .
   _Entity.Formula_weight                    .
   _Entity.Formula_weight_exptl              .
   _Entity.Formula_weight_exptl_meth         .
   _Entity.Details                           .
   _Entity.DB_query_date                     .
   _Entity.DB_query_revised_last_date        .

   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 . ZN . 10219 2 

   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       10219
   _Entity_natural_src_list.ID             1

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

      1 1 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 10219 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       10219
   _Entity_experimental_src_list.ID             1

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

      1 1 $entity_1 . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . plasmid . . P061218-07 . . . . . . 10219 1 

   stop_

save_


    #################################
    #  Polymer residues and ligands #
    #################################

save_chem_comp_ZN
   _Chem_comp.Sf_category                       chem_comp
   _Chem_comp.Sf_framecode                      chem_comp_ZN
   _Chem_comp.Entry_ID                          10219
   _Chem_comp.ID                                ZN
   _Chem_comp.Provenance                        .
   _Chem_comp.Name                             'ZINC ION'
   _Chem_comp.Type                              non-polymer
   _Chem_comp.BMRB_code                         .
   _Chem_comp.PDB_code                          ZN
   _Chem_comp.Ambiguous_flag                    .
   _Chem_comp.Initial_date                      .
   _Chem_comp.Modified_date                     .
   _Chem_comp.Release_status                    .
   _Chem_comp.Replaced_by                       .
   _Chem_comp.Replaces                          .
   _Chem_comp.One_letter_code                   .
   _Chem_comp.Three_letter_code                 .
   _Chem_comp.Number_atoms_all                  .
   _Chem_comp.Number_atoms_nh                   .
   _Chem_comp.PubChem_code                      .
   _Chem_comp.Subcomponent_list                 .
   _Chem_comp.InChI_code                        .
   _Chem_comp.Mon_nstd_flag                     .
   _Chem_comp.Mon_nstd_class                    .
   _Chem_comp.Mon_nstd_details                  .
   _Chem_comp.Mon_nstd_parent                   .
   _Chem_comp.Mon_nstd_parent_comp_ID           .
   _Chem_comp.Std_deriv_one_letter_code         .
   _Chem_comp.Std_deriv_three_letter_code       .
   _Chem_comp.Std_deriv_BMRB_code               .
   _Chem_comp.Std_deriv_PDB_code                .
   _Chem_comp.Std_deriv_chem_comp_name          .
   _Chem_comp.Synonyms                          .
   _Chem_comp.Formal_charge                     2
   _Chem_comp.Paramagnetic                      .
   _Chem_comp.Aromatic                          .
   _Chem_comp.Formula                           Zn
   _Chem_comp.Formula_weight                    65.409
   _Chem_comp.Formula_mono_iso_wt_nat           .
   _Chem_comp.Formula_mono_iso_wt_13C           .
   _Chem_comp.Formula_mono_iso_wt_15N           .
   _Chem_comp.Formula_mono_iso_wt_13C_15N       .
   _Chem_comp.Image_file_name                   .
   _Chem_comp.Image_file_format                 .
   _Chem_comp.Topo_file_name                    .
   _Chem_comp.Topo_file_format                  .
   _Chem_comp.Struct_file_name                  .
   _Chem_comp.Struct_file_format                .
   _Chem_comp.Stereochem_param_file_name        .
   _Chem_comp.Stereochem_param_file_format      .
   _Chem_comp.Model_details                     .
   _Chem_comp.Model_erf                         .
   _Chem_comp.Model_source                      .
   _Chem_comp.Model_coordinates_details         .
   _Chem_comp.Model_coordinates_missing_flag    .
   _Chem_comp.Ideal_coordinates_details         .
   _Chem_comp.Ideal_coordinates_missing_flag    .
   _Chem_comp.Model_coordinates_db_code         .
   _Chem_comp.Processing_site                   .
   _Chem_comp.Vendor                            .
   _Chem_comp.Vendor_product_code               .
   _Chem_comp.Details                          
;
Information obtained from PDB's Chemical Component Dictionary
at http://wwpdb-remediation.rutgers.edu/downloads.html
Downloaded on Wed Dec 20 05:48:03 2006
;
   _Chem_comp.DB_query_date                     .
   _Chem_comp.DB_last_query_revised_last_date   .

   loop_
      _Chem_comp_descriptor.Descriptor
      _Chem_comp_descriptor.Type
      _Chem_comp_descriptor.Program
      _Chem_comp_descriptor.Program_version
      _Chem_comp_descriptor.Entry_ID
      _Chem_comp_descriptor.Comp_ID

      InChI=1/Zn/q+2 INCHI            InChi                  1    10219 ZN 
      [Zn++]         SMILES_CANONICAL CACTVS                 2.87 10219 ZN 
      [Zn+2]         SMILES           OpenEye/OEToolkits 1.4.2    10219 ZN 
      [Zn+2]         SMILES_CANONICAL OpenEye/OEToolkits 1.4.2    10219 ZN 

   stop_

   loop_
      _Chem_comp_identifier.Identifier
      _Chem_comp_identifier.Type
      _Chem_comp_identifier.Program
      _Chem_comp_identifier.Program_version
      _Chem_comp_identifier.Entry_ID
      _Chem_comp_identifier.Comp_ID

      'zinc(+2) cation' 'SYSTEMATIC NAME' OpenEye/Lexichem 1.4 10219 ZN 

   stop_

   loop_
      _Chem_comp_atom.Atom_ID
      _Chem_comp_atom.BMRB_code
      _Chem_comp_atom.PDB_atom_ID
      _Chem_comp_atom.Alt_atom_ID
      _Chem_comp_atom.Auth_atom_ID
      _Chem_comp_atom.Type_symbol
      _Chem_comp_atom.Isotope_number
      _Chem_comp_atom.Chirality
      _Chem_comp_atom.Stereo_config
      _Chem_comp_atom.Charge
      _Chem_comp_atom.Partial_charge
      _Chem_comp_atom.Oxidation_number
      _Chem_comp_atom.Unpaired_electron_number
      _Chem_comp_atom.Align
      _Chem_comp_atom.Aromatic_flag
      _Chem_comp_atom.Leaving_atom_flag
      _Chem_comp_atom.Substruct_code
      _Chem_comp_atom.Ionizable
      _Chem_comp_atom.Drawing_2D_coord_x
      _Chem_comp_atom.Drawing_2D_coord_y
      _Chem_comp_atom.Model_Cartn_x
      _Chem_comp_atom.Model_Cartn_x_esd
      _Chem_comp_atom.Model_Cartn_y
      _Chem_comp_atom.Model_Cartn_y_esd
      _Chem_comp_atom.Model_Cartn_z
      _Chem_comp_atom.Model_Cartn_z_esd
      _Chem_comp_atom.Model_Cartn_x_ideal
      _Chem_comp_atom.Model_Cartn_y_ideal
      _Chem_comp_atom.Model_Cartn_z_ideal
      _Chem_comp_atom.PDBX_ordinal
      _Chem_comp_atom.Details
      _Chem_comp_atom.Entry_ID
      _Chem_comp_atom.Comp_ID

      ZN . ZN . . ZN . N . 2 . . . . no no . . . . . . . . . . . . . . . 10219 ZN 

   stop_

save_


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

save_sample_1
   _Sample.Sf_category                      sample
   _Sample.Sf_framecode                     sample_1
   _Sample.Entry_ID                         10219
   _Sample.ID                               1
   _Sample.Type                             solution
   _Sample.Sub_type                         .
   _Sample.Details                          .
   _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 'zf-C2H2 domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein   1.0  . . mM 0.1 . . . 10219 1 
      2  d-Tris-HCl       .               . .  .  .        . buffer   20    . . mM  .  . . . 10219 1 
      3  NaCl             .               . .  .  .        . salt    100    . . mM  .  . . . 10219 1 
      4  ZnCl2            .               . .  .  .        . salt      0.05 . . mM  .  . . . 10219 1 
      5  IDA              .               . .  .  .        . salt      1    . . mM  .  . . . 10219 1 
      6  d-DTT            .               . .  .  .        . salt      1    . . mM  .  . . . 10219 1 
      7  NaN3             .               . .  .  .        . salt      0.02 . . %   .  . . . 10219 1 
      8  H2O              .               . .  .  .        . solvent  90    . . %   .  . . . 10219 1 
      9  D2O              .               . .  .  .        . solvent  10    . . %   .  . . . 10219 1 

   stop_

save_


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

save_condition_1
   _Sample_condition_list.Sf_category    sample_conditions
   _Sample_condition_list.Sf_framecode   condition_1
   _Sample_condition_list.Entry_ID       10219
   _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' 120   0.1   mM  10219 1 
       pH                7.0 0.05  pH  10219 1 
       pressure          1   0.001 atm 10219 1 
       temperature     298   0.1   K   10219 1 

   stop_

save_


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

save_software_1
   _Software.Sf_category    software
   _Software.Sf_framecode   software_1
   _Software.Entry_ID       10219
   _Software.ID             1
   _Software.Name           xwinnmr
   _Software.Version        3.5
   _Software.Details        .

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

      Bruker . . 10219 1 

   stop_

   loop_
      _Task.Task
      _Task.Entry_ID
      _Task.Software_ID

      collection 10219 1 

   stop_

save_


save_software_2
   _Software.Sf_category    software
   _Software.Sf_framecode   software_2
   _Software.Entry_ID       10219
   _Software.ID             2
   _Software.Name           NMRPipe
   _Software.Version        20030801
   _Software.Details        .

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

      'Delaglio, F.' . . 10219 2 

   stop_

   loop_
      _Task.Task
      _Task.Entry_ID
      _Task.Software_ID

      processing 10219 2 

   stop_

save_


save_software_3
   _Software.Sf_category    software
   _Software.Sf_framecode   software_3
   _Software.Entry_ID       10219
   _Software.ID             3
   _Software.Name           NMRView
   _Software.Version        5.0.4
   _Software.Details        .

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

      'Johnson, B.A.' . . 10219 3 

   stop_

   loop_
      _Task.Task
      _Task.Entry_ID
      _Task.Software_ID

      'data analysis' 10219 3 

   stop_

save_


save_software_4
   _Software.Sf_category    software
   _Software.Sf_framecode   software_4
   _Software.Entry_ID       10219
   _Software.ID             4
   _Software.Name           Kujira
   _Software.Version        0.9820
   _Software.Details        .

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

      'Kobayashi, N.' . . 10219 4 

   stop_

   loop_
      _Task.Task
      _Task.Entry_ID
      _Task.Software_ID

      'data analysis' 10219 4 

   stop_

save_


save_software_5
   _Software.Sf_category    software
   _Software.Sf_framecode   software_5
   _Software.Entry_ID       10219
   _Software.ID             5
   _Software.Name           CYANA
   _Software.Version        2.0.17
   _Software.Details        .

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

      'Guntert, P.' . . 10219 5 

   stop_

   loop_
      _Task.Task
      _Task.Entry_ID
      _Task.Software_ID

       refinement          10219 5 
      'structure solution' 10219 5 

   stop_

save_


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

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

save_spectrometer_1
   _NMR_spectrometer.Sf_category      NMR_spectrometer
   _NMR_spectrometer.Sf_framecode     spectrometer_1
   _NMR_spectrometer.Entry_ID         10219
   _NMR_spectrometer.ID               1
   _NMR_spectrometer.Details          .
   _NMR_spectrometer.Manufacturer     Bruker
   _NMR_spectrometer.Model            AVANCE
   _NMR_spectrometer.Serial_number    .
   _NMR_spectrometer.Field_strength   800

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       10219
   _NMR_spectrometer_list.ID             1

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

      1 spectrometer_1 Bruker AVANCE . 800 . . . 10219 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       10219
   _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 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10219 1 
      2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10219 1 

   stop_

save_


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

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

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

save_reference_1
   _Chem_shift_reference.Sf_category    chem_shift_reference
   _Chem_shift_reference.Sf_framecode   reference_1
   _Chem_shift_reference.Entry_ID       10219
   _Chem_shift_reference.ID             1
   _Chem_shift_reference.Details       
;
Chemical shift reference of 1H was based on the proton of water (4.784ppm at 
298K) and then those of 15N and 13C were calculated based on their gyromagnetic 
ratios.
;

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

      C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 10219 1 
      H  1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0         . . . . . . . . . 10219 1 
      N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10219 1 

   stop_

save_


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

###################################################################
#       Chemical Shift Ambiguity Index Value Definitions          #
#                                                                 #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains.                              #
#                                                                 #
#   Index Value            Definition                             #
#                                                                 #
#      1             Unique (including isolated methyl protons,   #
#                         geminal atoms, and geminal methyl       #
#                         groups with identical chemical shifts)  #
#                         (e.g. ILE HD11, HD12, HD13 protons)     #
#      2             Ambiguity of geminal atoms or geminal methyl #
#                         proton groups (e.g. ASP HB2 and HB3     #
#                         protons, LEU CD1 and CD2 carbons, or    #
#                         LEU HD11, HD12, HD13 and HD21, HD22,    #
#                         HD23 methyl protons)                    #
#      3             Aromatic atoms on opposite sides of          #
#                         symmetrical rings (e.g. TYR HE1 and HE2 #
#                         protons)                                #
#      4             Intraresidue ambiguities (e.g. LYS HG and    #
#                         HD protons or TRP HZ2 and HZ3 protons)  #
#      5             Interresidue ambiguities (LYS 12 vs. LYS 27) #
#      6             Intermolecular ambiguities (e.g. ASP 31 CA   #
#                         in monomer 1 and ASP 31 CA in monomer 2 #
#                         of an asymmetrical homodimer, duplex    #
#                         DNA assignments, or other assignments   #
#                         that may apply to atoms in one or more  #
#                         molecule in the molecular assembly)     #
#      9             Ambiguous, specific ambiguity not defined    #
#                                                                 #
###################################################################
save_chemical_shift_1
   _Assigned_chem_shift_list.Sf_category                   assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                  chemical_shift_1
   _Assigned_chem_shift_list.Entry_ID                      10219
   _Assigned_chem_shift_list.ID                            1
   _Assigned_chem_shift_list.Sample_condition_list_ID      1
   _Assigned_chem_shift_list.Sample_condition_list_label  $condition_1
   _Assigned_chem_shift_list.Chem_shift_reference_ID       1
   _Assigned_chem_shift_list.Chem_shift_reference_label   $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 13C-separated NOESY' 1 $sample_1 isotropic 10219 1 
      2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10219 1 

   stop_

   loop_
      _Atom_chem_shift.ID
      _Atom_chem_shift.Assembly_atom_ID
      _Atom_chem_shift.Entity_assembly_ID
      _Atom_chem_shift.Entity_ID
      _Atom_chem_shift.Comp_index_ID
      _Atom_chem_shift.Seq_ID
      _Atom_chem_shift.Comp_ID
      _Atom_chem_shift.Atom_ID
      _Atom_chem_shift.Atom_type
      _Atom_chem_shift.Atom_isotope_number
      _Atom_chem_shift.Val
      _Atom_chem_shift.Val_err
      _Atom_chem_shift.Assign_fig_of_merit
      _Atom_chem_shift.Ambiguity_code
      _Atom_chem_shift.Occupancy
      _Atom_chem_shift.Resonance_ID
      _Atom_chem_shift.Auth_entity_assembly_ID
      _Atom_chem_shift.Auth_asym_ID
      _Atom_chem_shift.Auth_seq_ID
      _Atom_chem_shift.Auth_comp_ID
      _Atom_chem_shift.Auth_atom_ID
      _Atom_chem_shift.Details
      _Atom_chem_shift.Entry_ID
      _Atom_chem_shift.Assigned_chem_shift_list_ID

        1 . 1 1  6  6 SER HA   H  1   4.423 0.030 . 1 . . . .  6 SER HA   . 10219 1 
        2 . 1 1  6  6 SER HB2  H  1   3.855 0.030 . 1 . . . .  6 SER HB2  . 10219 1 
        3 . 1 1  6  6 SER HB3  H  1   3.855 0.030 . 1 . . . .  6 SER HB3  . 10219 1 
        4 . 1 1  6  6 SER C    C 13 174.984 0.300 . 1 . . . .  6 SER C    . 10219 1 
        5 . 1 1  6  6 SER CA   C 13  58.619 0.300 . 1 . . . .  6 SER CA   . 10219 1 
        6 . 1 1  6  6 SER CB   C 13  63.809 0.300 . 1 . . . .  6 SER CB   . 10219 1 
        7 . 1 1  7  7 GLY H    H  1   8.330 0.030 . 1 . . . .  7 GLY H    . 10219 1 
        8 . 1 1  7  7 GLY HA2  H  1   3.853 0.030 . 1 . . . .  7 GLY HA2  . 10219 1 
        9 . 1 1  7  7 GLY HA3  H  1   3.853 0.030 . 1 . . . .  7 GLY HA3  . 10219 1 
       10 . 1 1  7  7 GLY C    C 13 173.978 0.300 . 1 . . . .  7 GLY C    . 10219 1 
       11 . 1 1  7  7 GLY CA   C 13  45.124 0.300 . 1 . . . .  7 GLY CA   . 10219 1 
       12 . 1 1  7  7 GLY N    N 15 110.444 0.300 . 1 . . . .  7 GLY N    . 10219 1 
       13 . 1 1  8  8 GLU H    H  1   8.136 0.030 . 1 . . . .  8 GLU H    . 10219 1 
       14 . 1 1  8  8 GLU HA   H  1   4.084 0.030 . 1 . . . .  8 GLU HA   . 10219 1 
       15 . 1 1  8  8 GLU HB2  H  1   1.890 0.030 . 2 . . . .  8 GLU HB2  . 10219 1 
       16 . 1 1  8  8 GLU HB3  H  1   1.813 0.030 . 2 . . . .  8 GLU HB3  . 10219 1 
       17 . 1 1  8  8 GLU HG2  H  1   2.166 0.030 . 2 . . . .  8 GLU HG2  . 10219 1 
       18 . 1 1  8  8 GLU HG3  H  1   2.122 0.030 . 2 . . . .  8 GLU HG3  . 10219 1 
       19 . 1 1  8  8 GLU C    C 13 176.363 0.300 . 1 . . . .  8 GLU C    . 10219 1 
       20 . 1 1  8  8 GLU CA   C 13  56.807 0.300 . 1 . . . .  8 GLU CA   . 10219 1 
       21 . 1 1  8  8 GLU CB   C 13  30.323 0.300 . 1 . . . .  8 GLU CB   . 10219 1 
       22 . 1 1  8  8 GLU CG   C 13  36.239 0.300 . 1 . . . .  8 GLU CG   . 10219 1 
       23 . 1 1  8  8 GLU N    N 15 120.206 0.300 . 1 . . . .  8 GLU N    . 10219 1 
       24 . 1 1  9  9 LYS H    H  1   8.190 0.030 . 1 . . . .  9 LYS H    . 10219 1 
       25 . 1 1  9  9 LYS HA   H  1   4.401 0.030 . 1 . . . .  9 LYS HA   . 10219 1 
       26 . 1 1  9  9 LYS HB2  H  1   1.435 0.030 . 2 . . . .  9 LYS HB2  . 10219 1 
       27 . 1 1  9  9 LYS HB3  H  1   1.264 0.030 . 2 . . . .  9 LYS HB3  . 10219 1 
       28 . 1 1  9  9 LYS HD2  H  1   1.373 0.030 . 1 . . . .  9 LYS HD2  . 10219 1 
       29 . 1 1  9  9 LYS HD3  H  1   1.373 0.030 . 1 . . . .  9 LYS HD3  . 10219 1 
       30 . 1 1  9  9 LYS HE2  H  1   2.805 0.030 . 1 . . . .  9 LYS HE2  . 10219 1 
       31 . 1 1  9  9 LYS HE3  H  1   2.805 0.030 . 1 . . . .  9 LYS HE3  . 10219 1 
       32 . 1 1  9  9 LYS HG2  H  1   1.170 0.030 . 2 . . . .  9 LYS HG2  . 10219 1 
       33 . 1 1  9  9 LYS HG3  H  1   1.105 0.030 . 2 . . . .  9 LYS HG3  . 10219 1 
       34 . 1 1  9  9 LYS C    C 13 173.724 0.300 . 1 . . . .  9 LYS C    . 10219 1 
       35 . 1 1  9  9 LYS CA   C 13  53.773 0.300 . 1 . . . .  9 LYS CA   . 10219 1 
       36 . 1 1  9  9 LYS CB   C 13  33.324 0.300 . 1 . . . .  9 LYS CB   . 10219 1 
       37 . 1 1  9  9 LYS CD   C 13  29.403 0.300 . 1 . . . .  9 LYS CD   . 10219 1 
       38 . 1 1  9  9 LYS CE   C 13  42.287 0.300 . 1 . . . .  9 LYS CE   . 10219 1 
       39 . 1 1  9  9 LYS CG   C 13  24.643 0.300 . 1 . . . .  9 LYS CG   . 10219 1 
       40 . 1 1  9  9 LYS N    N 15 121.893 0.300 . 1 . . . .  9 LYS N    . 10219 1 
       41 . 1 1 10 10 PRO HA   H  1   4.176 0.030 . 1 . . . . 10 PRO HA   . 10219 1 
       42 . 1 1 10 10 PRO HB2  H  1   1.116 0.030 . 2 . . . . 10 PRO HB2  . 10219 1 
       43 . 1 1 10 10 PRO HB3  H  1   1.928 0.030 . 2 . . . . 10 PRO HB3  . 10219 1 
       44 . 1 1 10 10 PRO HD2  H  1   3.639 0.030 . 2 . . . . 10 PRO HD2  . 10219 1 
       45 . 1 1 10 10 PRO HD3  H  1   3.493 0.030 . 2 . . . . 10 PRO HD3  . 10219 1 
       46 . 1 1 10 10 PRO HG2  H  1   1.496 0.030 . 2 . . . . 10 PRO HG2  . 10219 1 
       47 . 1 1 10 10 PRO HG3  H  1   1.694 0.030 . 2 . . . . 10 PRO HG3  . 10219 1 
       48 . 1 1 10 10 PRO C    C 13 176.542 0.300 . 1 . . . . 10 PRO C    . 10219 1 
       49 . 1 1 10 10 PRO CA   C 13  63.392 0.300 . 1 . . . . 10 PRO CA   . 10219 1 
       50 . 1 1 10 10 PRO CB   C 13  32.297 0.300 . 1 . . . . 10 PRO CB   . 10219 1 
       51 . 1 1 10 10 PRO CD   C 13  50.048 0.300 . 1 . . . . 10 PRO CD   . 10219 1 
       52 . 1 1 10 10 PRO CG   C 13  26.501 0.300 . 1 . . . . 10 PRO CG   . 10219 1 
       53 . 1 1 11 11 TYR H    H  1   7.766 0.030 . 1 . . . . 11 TYR H    . 10219 1 
       54 . 1 1 11 11 TYR HA   H  1   4.523 0.030 . 1 . . . . 11 TYR HA   . 10219 1 
       55 . 1 1 11 11 TYR HB2  H  1   2.908 0.030 . 2 . . . . 11 TYR HB2  . 10219 1 
       56 . 1 1 11 11 TYR HB3  H  1   2.784 0.030 . 2 . . . . 11 TYR HB3  . 10219 1 
       57 . 1 1 11 11 TYR HD1  H  1   6.997 0.030 . 1 . . . . 11 TYR HD1  . 10219 1 
       58 . 1 1 11 11 TYR HD2  H  1   6.997 0.030 . 1 . . . . 11 TYR HD2  . 10219 1 
       59 . 1 1 11 11 TYR HE1  H  1   6.905 0.030 . 1 . . . . 11 TYR HE1  . 10219 1 
       60 . 1 1 11 11 TYR HE2  H  1   6.905 0.030 . 1 . . . . 11 TYR HE2  . 10219 1 
       61 . 1 1 11 11 TYR C    C 13 174.276 0.300 . 1 . . . . 11 TYR C    . 10219 1 
       62 . 1 1 11 11 TYR CA   C 13  58.052 0.300 . 1 . . . . 11 TYR CA   . 10219 1 
       63 . 1 1 11 11 TYR CB   C 13  38.185 0.300 . 1 . . . . 11 TYR CB   . 10219 1 
       64 . 1 1 11 11 TYR CD1  C 13 133.361 0.300 . 1 . . . . 11 TYR CD1  . 10219 1 
       65 . 1 1 11 11 TYR CD2  C 13 133.361 0.300 . 1 . . . . 11 TYR CD2  . 10219 1 
       66 . 1 1 11 11 TYR CE1  C 13 118.479 0.300 . 1 . . . . 11 TYR CE1  . 10219 1 
       67 . 1 1 11 11 TYR CE2  C 13 118.479 0.300 . 1 . . . . 11 TYR CE2  . 10219 1 
       68 . 1 1 11 11 TYR N    N 15 118.946 0.300 . 1 . . . . 11 TYR N    . 10219 1 
       69 . 1 1 12 12 VAL H    H  1   8.434 0.030 . 1 . . . . 12 VAL H    . 10219 1 
       70 . 1 1 12 12 VAL HA   H  1   4.510 0.030 . 1 . . . . 12 VAL HA   . 10219 1 
       71 . 1 1 12 12 VAL HB   H  1   1.774 0.030 . 1 . . . . 12 VAL HB   . 10219 1 
       72 . 1 1 12 12 VAL HG11 H  1   0.739 0.030 . 1 . . . . 12 VAL HG1  . 10219 1 
       73 . 1 1 12 12 VAL HG12 H  1   0.739 0.030 . 1 . . . . 12 VAL HG1  . 10219 1 
       74 . 1 1 12 12 VAL HG13 H  1   0.739 0.030 . 1 . . . . 12 VAL HG1  . 10219 1 
       75 . 1 1 12 12 VAL HG21 H  1   0.661 0.030 . 1 . . . . 12 VAL HG2  . 10219 1 
       76 . 1 1 12 12 VAL HG22 H  1   0.661 0.030 . 1 . . . . 12 VAL HG2  . 10219 1 
       77 . 1 1 12 12 VAL HG23 H  1   0.661 0.030 . 1 . . . . 12 VAL HG2  . 10219 1 
       78 . 1 1 12 12 VAL C    C 13 175.589 0.300 . 1 . . . . 12 VAL C    . 10219 1 
       79 . 1 1 12 12 VAL CA   C 13  61.266 0.300 . 1 . . . . 12 VAL CA   . 10219 1 
       80 . 1 1 12 12 VAL CB   C 13  34.474 0.300 . 1 . . . . 12 VAL CB   . 10219 1 
       81 . 1 1 12 12 VAL CG1  C 13  21.284 0.300 . 2 . . . . 12 VAL CG1  . 10219 1 
       82 . 1 1 12 12 VAL CG2  C 13  20.868 0.300 . 2 . . . . 12 VAL CG2  . 10219 1 
       83 . 1 1 12 12 VAL N    N 15 125.129 0.300 . 1 . . . . 12 VAL N    . 10219 1 
       84 . 1 1 13 13 CYS H    H  1   9.288 0.030 . 1 . . . . 13 CYS H    . 10219 1 
       85 . 1 1 13 13 CYS HA   H  1   4.486 0.030 . 1 . . . . 13 CYS HA   . 10219 1 
       86 . 1 1 13 13 CYS HB2  H  1   2.860 0.030 . 2 . . . . 13 CYS HB2  . 10219 1 
       87 . 1 1 13 13 CYS HB3  H  1   3.357 0.030 . 2 . . . . 13 CYS HB3  . 10219 1 
       88 . 1 1 13 13 CYS C    C 13 177.453 0.300 . 1 . . . . 13 CYS C    . 10219 1 
       89 . 1 1 13 13 CYS CA   C 13  59.913 0.300 . 1 . . . . 13 CYS CA   . 10219 1 
       90 . 1 1 13 13 CYS CB   C 13  29.670 0.300 . 1 . . . . 13 CYS CB   . 10219 1 
       91 . 1 1 13 13 CYS N    N 15 129.949 0.300 . 1 . . . . 13 CYS N    . 10219 1 
       92 . 1 1 14 14 SER H    H  1   9.359 0.030 . 1 . . . . 14 SER H    . 10219 1 
       93 . 1 1 14 14 SER HA   H  1   4.194 0.030 . 1 . . . . 14 SER HA   . 10219 1 
       94 . 1 1 14 14 SER HB2  H  1   3.974 0.030 . 2 . . . . 14 SER HB2  . 10219 1 
       95 . 1 1 14 14 SER HB3  H  1   3.914 0.030 . 2 . . . . 14 SER HB3  . 10219 1 
       96 . 1 1 14 14 SER C    C 13 174.334 0.300 . 1 . . . . 14 SER C    . 10219 1 
       97 . 1 1 14 14 SER CA   C 13  61.015 0.300 . 1 . . . . 14 SER CA   . 10219 1 
       98 . 1 1 14 14 SER CB   C 13  63.031 0.300 . 1 . . . . 14 SER CB   . 10219 1 
       99 . 1 1 14 14 SER N    N 15 128.692 0.300 . 1 . . . . 14 SER N    . 10219 1 
      100 . 1 1 15 15 ASP H    H  1   8.616 0.030 . 1 . . . . 15 ASP H    . 10219 1 
      101 . 1 1 15 15 ASP HA   H  1   4.495 0.030 . 1 . . . . 15 ASP HA   . 10219 1 
      102 . 1 1 15 15 ASP HB2  H  1   1.769 0.030 . 2 . . . . 15 ASP HB2  . 10219 1 
      103 . 1 1 15 15 ASP HB3  H  1   1.679 0.030 . 2 . . . . 15 ASP HB3  . 10219 1 
      104 . 1 1 15 15 ASP C    C 13 176.945 0.300 . 1 . . . . 15 ASP C    . 10219 1 
      105 . 1 1 15 15 ASP CA   C 13  56.927 0.300 . 1 . . . . 15 ASP CA   . 10219 1 
      106 . 1 1 15 15 ASP CB   C 13  41.300 0.300 . 1 . . . . 15 ASP CB   . 10219 1 
      107 . 1 1 15 15 ASP N    N 15 122.842 0.300 . 1 . . . . 15 ASP N    . 10219 1 
      108 . 1 1 16 16 CYS H    H  1   7.880 0.030 . 1 . . . . 16 CYS H    . 10219 1 
      109 . 1 1 16 16 CYS HA   H  1   5.095 0.030 . 1 . . . . 16 CYS HA   . 10219 1 
      110 . 1 1 16 16 CYS HB2  H  1   2.806 0.030 . 2 . . . . 16 CYS HB2  . 10219 1 
      111 . 1 1 16 16 CYS HB3  H  1   3.363 0.030 . 2 . . . . 16 CYS HB3  . 10219 1 
      112 . 1 1 16 16 CYS C    C 13 176.300 0.300 . 1 . . . . 16 CYS C    . 10219 1 
      113 . 1 1 16 16 CYS CA   C 13  58.641 0.300 . 1 . . . . 16 CYS CA   . 10219 1 
      114 . 1 1 16 16 CYS CB   C 13  32.470 0.300 . 1 . . . . 16 CYS CB   . 10219 1 
      115 . 1 1 16 16 CYS N    N 15 114.753 0.300 . 1 . . . . 16 CYS N    . 10219 1 
      116 . 1 1 17 17 GLY H    H  1   8.180 0.030 . 1 . . . . 17 GLY H    . 10219 1 
      117 . 1 1 17 17 GLY HA2  H  1   3.657 0.030 . 2 . . . . 17 GLY HA2  . 10219 1 
      118 . 1 1 17 17 GLY HA3  H  1   4.150 0.030 . 2 . . . . 17 GLY HA3  . 10219 1 
      119 . 1 1 17 17 GLY C    C 13 173.556 0.300 . 1 . . . . 17 GLY C    . 10219 1 
      120 . 1 1 17 17 GLY CA   C 13  46.062 0.300 . 1 . . . . 17 GLY CA   . 10219 1 
      121 . 1 1 17 17 GLY N    N 15 113.552 0.300 . 1 . . . . 17 GLY N    . 10219 1 
      122 . 1 1 18 18 LYS H    H  1   7.992 0.030 . 1 . . . . 18 LYS H    . 10219 1 
      123 . 1 1 18 18 LYS HA   H  1   3.843 0.030 . 1 . . . . 18 LYS HA   . 10219 1 
      124 . 1 1 18 18 LYS HB2  H  1   1.110 0.030 . 2 . . . . 18 LYS HB2  . 10219 1 
      125 . 1 1 18 18 LYS HB3  H  1   1.373 0.030 . 2 . . . . 18 LYS HB3  . 10219 1 
      126 . 1 1 18 18 LYS HD2  H  1   1.461 0.030 . 2 . . . . 18 LYS HD2  . 10219 1 
      127 . 1 1 18 18 LYS HD3  H  1   1.380 0.030 . 2 . . . . 18 LYS HD3  . 10219 1 
      128 . 1 1 18 18 LYS HE2  H  1   2.905 0.030 . 2 . . . . 18 LYS HE2  . 10219 1 
      129 . 1 1 18 18 LYS HE3  H  1   2.834 0.030 . 2 . . . . 18 LYS HE3  . 10219 1 
      130 . 1 1 18 18 LYS HG2  H  1   1.284 0.030 . 2 . . . . 18 LYS HG2  . 10219 1 
      131 . 1 1 18 18 LYS HG3  H  1   0.964 0.030 . 2 . . . . 18 LYS HG3  . 10219 1 
      132 . 1 1 18 18 LYS C    C 13 173.383 0.300 . 1 . . . . 18 LYS C    . 10219 1 
      133 . 1 1 18 18 LYS CA   C 13  58.362 0.300 . 1 . . . . 18 LYS CA   . 10219 1 
      134 . 1 1 18 18 LYS CB   C 13  33.336 0.300 . 1 . . . . 18 LYS CB   . 10219 1 
      135 . 1 1 18 18 LYS CD   C 13  29.235 0.300 . 1 . . . . 18 LYS CD   . 10219 1 
      136 . 1 1 18 18 LYS CE   C 13  42.111 0.300 . 1 . . . . 18 LYS CE   . 10219 1 
      137 . 1 1 18 18 LYS CG   C 13  26.208 0.300 . 1 . . . . 18 LYS CG   . 10219 1 
      138 . 1 1 18 18 LYS N    N 15 123.588 0.300 . 1 . . . . 18 LYS N    . 10219 1 
      139 . 1 1 19 19 ALA H    H  1   7.646 0.030 . 1 . . . . 19 ALA H    . 10219 1 
      140 . 1 1 19 19 ALA HA   H  1   5.124 0.030 . 1 . . . . 19 ALA HA   . 10219 1 
      141 . 1 1 19 19 ALA HB1  H  1   1.145 0.030 . 1 . . . . 19 ALA HB   . 10219 1 
      142 . 1 1 19 19 ALA HB2  H  1   1.145 0.030 . 1 . . . . 19 ALA HB   . 10219 1 
      143 . 1 1 19 19 ALA HB3  H  1   1.145 0.030 . 1 . . . . 19 ALA HB   . 10219 1 
      144 . 1 1 19 19 ALA C    C 13 176.333 0.300 . 1 . . . . 19 ALA C    . 10219 1 
      145 . 1 1 19 19 ALA CA   C 13  50.076 0.300 . 1 . . . . 19 ALA CA   . 10219 1 
      146 . 1 1 19 19 ALA CB   C 13  22.792 0.300 . 1 . . . . 19 ALA CB   . 10219 1 
      147 . 1 1 19 19 ALA N    N 15 124.673 0.300 . 1 . . . . 19 ALA N    . 10219 1 
      148 . 1 1 20 20 PHE H    H  1   8.857 0.030 . 1 . . . . 20 PHE H    . 10219 1 
      149 . 1 1 20 20 PHE HA   H  1   4.653 0.030 . 1 . . . . 20 PHE HA   . 10219 1 
      150 . 1 1 20 20 PHE HB2  H  1   2.621 0.030 . 2 . . . . 20 PHE HB2  . 10219 1 
      151 . 1 1 20 20 PHE HB3  H  1   3.531 0.030 . 2 . . . . 20 PHE HB3  . 10219 1 
      152 . 1 1 20 20 PHE HD1  H  1   7.147 0.030 . 1 . . . . 20 PHE HD1  . 10219 1 
      153 . 1 1 20 20 PHE HD2  H  1   7.147 0.030 . 1 . . . . 20 PHE HD2  . 10219 1 
      154 . 1 1 20 20 PHE HE1  H  1   6.782 0.030 . 1 . . . . 20 PHE HE1  . 10219 1 
      155 . 1 1 20 20 PHE HE2  H  1   6.782 0.030 . 1 . . . . 20 PHE HE2  . 10219 1 
      156 . 1 1 20 20 PHE HZ   H  1   6.217 0.030 . 1 . . . . 20 PHE HZ   . 10219 1 
      157 . 1 1 20 20 PHE C    C 13 175.110 0.300 . 1 . . . . 20 PHE C    . 10219 1 
      158 . 1 1 20 20 PHE CA   C 13  57.317 0.300 . 1 . . . . 20 PHE CA   . 10219 1 
      159 . 1 1 20 20 PHE CB   C 13  43.327 0.300 . 1 . . . . 20 PHE CB   . 10219 1 
      160 . 1 1 20 20 PHE CD1  C 13 132.563 0.300 . 1 . . . . 20 PHE CD1  . 10219 1 
      161 . 1 1 20 20 PHE CD2  C 13 132.563 0.300 . 1 . . . . 20 PHE CD2  . 10219 1 
      162 . 1 1 20 20 PHE CE1  C 13 130.379 0.300 . 1 . . . . 20 PHE CE1  . 10219 1 
      163 . 1 1 20 20 PHE CE2  C 13 130.379 0.300 . 1 . . . . 20 PHE CE2  . 10219 1 
      164 . 1 1 20 20 PHE CZ   C 13 128.461 0.300 . 1 . . . . 20 PHE CZ   . 10219 1 
      165 . 1 1 20 20 PHE N    N 15 117.387 0.300 . 1 . . . . 20 PHE N    . 10219 1 
      166 . 1 1 21 21 THR H    H  1   8.729 0.030 . 1 . . . . 21 THR H    . 10219 1 
      167 . 1 1 21 21 THR HA   H  1   4.005 0.030 . 1 . . . . 21 THR HA   . 10219 1 
      168 . 1 1 21 21 THR HB   H  1   3.704 0.030 . 1 . . . . 21 THR HB   . 10219 1 
      169 . 1 1 21 21 THR HG21 H  1   0.517 0.030 . 1 . . . . 21 THR HG2  . 10219 1 
      170 . 1 1 21 21 THR HG22 H  1   0.517 0.030 . 1 . . . . 21 THR HG2  . 10219 1 
      171 . 1 1 21 21 THR HG23 H  1   0.517 0.030 . 1 . . . . 21 THR HG2  . 10219 1 
      172 . 1 1 21 21 THR C    C 13 173.500 0.300 . 1 . . . . 21 THR C    . 10219 1 
      173 . 1 1 21 21 THR CA   C 13  66.328 0.300 . 1 . . . . 21 THR CA   . 10219 1 
      174 . 1 1 21 21 THR CB   C 13  69.605 0.300 . 1 . . . . 21 THR CB   . 10219 1 
      175 . 1 1 21 21 THR CG2  C 13  21.877 0.300 . 1 . . . . 21 THR CG2  . 10219 1 
      176 . 1 1 21 21 THR N    N 15 118.703 0.300 . 1 . . . . 21 THR N    . 10219 1 
      177 . 1 1 22 22 PHE H    H  1   7.767 0.030 . 1 . . . . 22 PHE H    . 10219 1 
      178 . 1 1 22 22 PHE HA   H  1   5.093 0.030 . 1 . . . . 22 PHE HA   . 10219 1 
      179 . 1 1 22 22 PHE HB2  H  1   2.471 0.030 . 2 . . . . 22 PHE HB2  . 10219 1 
      180 . 1 1 22 22 PHE HB3  H  1   3.368 0.030 . 2 . . . . 22 PHE HB3  . 10219 1 
      181 . 1 1 22 22 PHE HD1  H  1   7.284 0.030 . 1 . . . . 22 PHE HD1  . 10219 1 
      182 . 1 1 22 22 PHE HD2  H  1   7.284 0.030 . 1 . . . . 22 PHE HD2  . 10219 1 
      183 . 1 1 22 22 PHE HE1  H  1   7.366 0.030 . 1 . . . . 22 PHE HE1  . 10219 1 
      184 . 1 1 22 22 PHE HE2  H  1   7.366 0.030 . 1 . . . . 22 PHE HE2  . 10219 1 
      185 . 1 1 22 22 PHE HZ   H  1   7.308 0.030 . 1 . . . . 22 PHE HZ   . 10219 1 
      186 . 1 1 22 22 PHE C    C 13 176.290 0.300 . 1 . . . . 22 PHE C    . 10219 1 
      187 . 1 1 22 22 PHE CA   C 13  55.753 0.300 . 1 . . . . 22 PHE CA   . 10219 1 
      188 . 1 1 22 22 PHE CB   C 13  42.016 0.300 . 1 . . . . 22 PHE CB   . 10219 1 
      189 . 1 1 22 22 PHE CD1  C 13 131.856 0.300 . 1 . . . . 22 PHE CD1  . 10219 1 
      190 . 1 1 22 22 PHE CD2  C 13 131.856 0.300 . 1 . . . . 22 PHE CD2  . 10219 1 
      191 . 1 1 22 22 PHE CE1  C 13 131.573 0.300 . 1 . . . . 22 PHE CE1  . 10219 1 
      192 . 1 1 22 22 PHE CE2  C 13 131.573 0.300 . 1 . . . . 22 PHE CE2  . 10219 1 
      193 . 1 1 22 22 PHE CZ   C 13 130.210 0.300 . 1 . . . . 22 PHE CZ   . 10219 1 
      194 . 1 1 22 22 PHE N    N 15 114.810 0.300 . 1 . . . . 22 PHE N    . 10219 1 
      195 . 1 1 23 23 LYS H    H  1   8.496 0.030 . 1 . . . . 23 LYS H    . 10219 1 
      196 . 1 1 23 23 LYS HA   H  1   2.922 0.030 . 1 . . . . 23 LYS HA   . 10219 1 
      197 . 1 1 23 23 LYS HB2  H  1   0.871 0.030 . 2 . . . . 23 LYS HB2  . 10219 1 
      198 . 1 1 23 23 LYS HB3  H  1   1.435 0.030 . 2 . . . . 23 LYS HB3  . 10219 1 
      199 . 1 1 23 23 LYS HD2  H  1   1.555 0.030 . 2 . . . . 23 LYS HD2  . 10219 1 
      200 . 1 1 23 23 LYS HD3  H  1   1.518 0.030 . 2 . . . . 23 LYS HD3  . 10219 1 
      201 . 1 1 23 23 LYS HE2  H  1   2.904 0.030 . 2 . . . . 23 LYS HE2  . 10219 1 
      202 . 1 1 23 23 LYS HE3  H  1   2.832 0.030 . 2 . . . . 23 LYS HE3  . 10219 1 
      203 . 1 1 23 23 LYS HG2  H  1   0.988 0.030 . 2 . . . . 23 LYS HG2  . 10219 1 
      204 . 1 1 23 23 LYS HG3  H  1   1.199 0.030 . 2 . . . . 23 LYS HG3  . 10219 1 
      205 . 1 1 23 23 LYS C    C 13 178.191 0.300 . 1 . . . . 23 LYS C    . 10219 1 
      206 . 1 1 23 23 LYS CA   C 13  59.444 0.300 . 1 . . . . 23 LYS CA   . 10219 1 
      207 . 1 1 23 23 LYS CB   C 13  31.569 0.300 . 1 . . . . 23 LYS CB   . 10219 1 
      208 . 1 1 23 23 LYS CD   C 13  29.222 0.300 . 1 . . . . 23 LYS CD   . 10219 1 
      209 . 1 1 23 23 LYS CE   C 13  42.174 0.300 . 1 . . . . 23 LYS CE   . 10219 1 
      210 . 1 1 23 23 LYS CG   C 13  24.891 0.300 . 1 . . . . 23 LYS CG   . 10219 1 
      211 . 1 1 23 23 LYS N    N 15 127.716 0.300 . 1 . . . . 23 LYS N    . 10219 1 
      212 . 1 1 24 24 SER H    H  1   8.519 0.030 . 1 . . . . 24 SER H    . 10219 1 
      213 . 1 1 24 24 SER HA   H  1   3.838 0.030 . 1 . . . . 24 SER HA   . 10219 1 
      214 . 1 1 24 24 SER HB2  H  1   3.756 0.030 . 1 . . . . 24 SER HB2  . 10219 1 
      215 . 1 1 24 24 SER HB3  H  1   3.756 0.030 . 1 . . . . 24 SER HB3  . 10219 1 
      216 . 1 1 24 24 SER C    C 13 176.778 0.300 . 1 . . . . 24 SER C    . 10219 1 
      217 . 1 1 24 24 SER CA   C 13  60.910 0.300 . 1 . . . . 24 SER CA   . 10219 1 
      218 . 1 1 24 24 SER CB   C 13  61.337 0.300 . 1 . . . . 24 SER CB   . 10219 1 
      219 . 1 1 24 24 SER N    N 15 111.904 0.300 . 1 . . . . 24 SER N    . 10219 1 
      220 . 1 1 25 25 GLN H    H  1   6.829 0.030 . 1 . . . . 25 GLN H    . 10219 1 
      221 . 1 1 25 25 GLN HA   H  1   3.894 0.030 . 1 . . . . 25 GLN HA   . 10219 1 
      222 . 1 1 25 25 GLN HB2  H  1   1.959 0.030 . 2 . . . . 25 GLN HB2  . 10219 1 
      223 . 1 1 25 25 GLN HB3  H  1   2.618 0.030 . 2 . . . . 25 GLN HB3  . 10219 1 
      224 . 1 1 25 25 GLN HE21 H  1   7.234 0.030 . 2 . . . . 25 GLN HE21 . 10219 1 
      225 . 1 1 25 25 GLN HE22 H  1   7.708 0.030 . 2 . . . . 25 GLN HE22 . 10219 1 
      226 . 1 1 25 25 GLN HG2  H  1   2.504 0.030 . 2 . . . . 25 GLN HG2  . 10219 1 
      227 . 1 1 25 25 GLN HG3  H  1   2.420 0.030 . 2 . . . . 25 GLN HG3  . 10219 1 
      228 . 1 1 25 25 GLN C    C 13 178.758 0.300 . 1 . . . . 25 GLN C    . 10219 1 
      229 . 1 1 25 25 GLN CA   C 13  57.499 0.300 . 1 . . . . 25 GLN CA   . 10219 1 
      230 . 1 1 25 25 GLN CB   C 13  28.839 0.300 . 1 . . . . 25 GLN CB   . 10219 1 
      231 . 1 1 25 25 GLN CG   C 13  34.541 0.300 . 1 . . . . 25 GLN CG   . 10219 1 
      232 . 1 1 25 25 GLN N    N 15 119.416 0.300 . 1 . . . . 25 GLN N    . 10219 1 
      233 . 1 1 25 25 GLN NE2  N 15 112.237 0.300 . 1 . . . . 25 GLN NE2  . 10219 1 
      234 . 1 1 26 26 LEU H    H  1   6.900 0.030 . 1 . . . . 26 LEU H    . 10219 1 
      235 . 1 1 26 26 LEU HA   H  1   3.218 0.030 . 1 . . . . 26 LEU HA   . 10219 1 
      236 . 1 1 26 26 LEU HB2  H  1   1.227 0.030 . 2 . . . . 26 LEU HB2  . 10219 1 
      237 . 1 1 26 26 LEU HB3  H  1   2.026 0.030 . 2 . . . . 26 LEU HB3  . 10219 1 
      238 . 1 1 26 26 LEU HD11 H  1   1.026 0.030 . 1 . . . . 26 LEU HD1  . 10219 1 
      239 . 1 1 26 26 LEU HD12 H  1   1.026 0.030 . 1 . . . . 26 LEU HD1  . 10219 1 
      240 . 1 1 26 26 LEU HD13 H  1   1.026 0.030 . 1 . . . . 26 LEU HD1  . 10219 1 
      241 . 1 1 26 26 LEU HD21 H  1   0.969 0.030 . 1 . . . . 26 LEU HD2  . 10219 1 
      242 . 1 1 26 26 LEU HD22 H  1   0.969 0.030 . 1 . . . . 26 LEU HD2  . 10219 1 
      243 . 1 1 26 26 LEU HD23 H  1   0.969 0.030 . 1 . . . . 26 LEU HD2  . 10219 1 
      244 . 1 1 26 26 LEU HG   H  1   1.489 0.030 . 1 . . . . 26 LEU HG   . 10219 1 
      245 . 1 1 26 26 LEU C    C 13 177.322 0.300 . 1 . . . . 26 LEU C    . 10219 1 
      246 . 1 1 26 26 LEU CA   C 13  57.675 0.300 . 1 . . . . 26 LEU CA   . 10219 1 
      247 . 1 1 26 26 LEU CB   C 13  40.250 0.300 . 1 . . . . 26 LEU CB   . 10219 1 
      248 . 1 1 26 26 LEU CD1  C 13  22.657 0.300 . 2 . . . . 26 LEU CD1  . 10219 1 
      249 . 1 1 26 26 LEU CD2  C 13  26.528 0.300 . 2 . . . . 26 LEU CD2  . 10219 1 
      250 . 1 1 26 26 LEU CG   C 13  27.436 0.300 . 1 . . . . 26 LEU CG   . 10219 1 
      251 . 1 1 26 26 LEU N    N 15 122.040 0.300 . 1 . . . . 26 LEU N    . 10219 1 
      252 . 1 1 27 27 ILE H    H  1   7.967 0.030 . 1 . . . . 27 ILE H    . 10219 1 
      253 . 1 1 27 27 ILE HA   H  1   3.683 0.030 . 1 . . . . 27 ILE HA   . 10219 1 
      254 . 1 1 27 27 ILE HB   H  1   1.718 0.030 . 1 . . . . 27 ILE HB   . 10219 1 
      255 . 1 1 27 27 ILE HD11 H  1   0.693 0.030 . 1 . . . . 27 ILE HD1  . 10219 1 
      256 . 1 1 27 27 ILE HD12 H  1   0.693 0.030 . 1 . . . . 27 ILE HD1  . 10219 1 
      257 . 1 1 27 27 ILE HD13 H  1   0.693 0.030 . 1 . . . . 27 ILE HD1  . 10219 1 
      258 . 1 1 27 27 ILE HG12 H  1   1.143 0.030 . 2 . . . . 27 ILE HG12 . 10219 1 
      259 . 1 1 27 27 ILE HG13 H  1   1.459 0.030 . 2 . . . . 27 ILE HG13 . 10219 1 
      260 . 1 1 27 27 ILE HG21 H  1   0.793 0.030 . 1 . . . . 27 ILE HG2  . 10219 1 
      261 . 1 1 27 27 ILE HG22 H  1   0.793 0.030 . 1 . . . . 27 ILE HG2  . 10219 1 
      262 . 1 1 27 27 ILE HG23 H  1   0.793 0.030 . 1 . . . . 27 ILE HG2  . 10219 1 
      263 . 1 1 27 27 ILE C    C 13 179.261 0.300 . 1 . . . . 27 ILE C    . 10219 1 
      264 . 1 1 27 27 ILE CA   C 13  64.506 0.300 . 1 . . . . 27 ILE CA   . 10219 1 
      265 . 1 1 27 27 ILE CB   C 13  37.362 0.300 . 1 . . . . 27 ILE CB   . 10219 1 
      266 . 1 1 27 27 ILE CD1  C 13  12.451 0.300 . 1 . . . . 27 ILE CD1  . 10219 1 
      267 . 1 1 27 27 ILE CG1  C 13  28.672 0.300 . 1 . . . . 27 ILE CG1  . 10219 1 
      268 . 1 1 27 27 ILE CG2  C 13  17.100 0.300 . 1 . . . . 27 ILE CG2  . 10219 1 
      269 . 1 1 27 27 ILE N    N 15 118.724 0.300 . 1 . . . . 27 ILE N    . 10219 1 
      270 . 1 1 28 28 VAL H    H  1   7.247 0.030 . 1 . . . . 28 VAL H    . 10219 1 
      271 . 1 1 28 28 VAL HA   H  1   3.569 0.030 . 1 . . . . 28 VAL HA   . 10219 1 
      272 . 1 1 28 28 VAL HB   H  1   1.858 0.030 . 1 . . . . 28 VAL HB   . 10219 1 
      273 . 1 1 28 28 VAL HG11 H  1   0.865 0.030 . 1 . . . . 28 VAL HG1  . 10219 1 
      274 . 1 1 28 28 VAL HG12 H  1   0.865 0.030 . 1 . . . . 28 VAL HG1  . 10219 1 
      275 . 1 1 28 28 VAL HG13 H  1   0.865 0.030 . 1 . . . . 28 VAL HG1  . 10219 1 
      276 . 1 1 28 28 VAL HG21 H  1   0.990 0.030 . 1 . . . . 28 VAL HG2  . 10219 1 
      277 . 1 1 28 28 VAL HG22 H  1   0.990 0.030 . 1 . . . . 28 VAL HG2  . 10219 1 
      278 . 1 1 28 28 VAL HG23 H  1   0.990 0.030 . 1 . . . . 28 VAL HG2  . 10219 1 
      279 . 1 1 28 28 VAL C    C 13 179.175 0.300 . 1 . . . . 28 VAL C    . 10219 1 
      280 . 1 1 28 28 VAL CA   C 13  66.301 0.300 . 1 . . . . 28 VAL CA   . 10219 1 
      281 . 1 1 28 28 VAL CB   C 13  32.097 0.300 . 1 . . . . 28 VAL CB   . 10219 1 
      282 . 1 1 28 28 VAL CG1  C 13  20.993 0.300 . 2 . . . . 28 VAL CG1  . 10219 1 
      283 . 1 1 28 28 VAL CG2  C 13  22.630 0.300 . 2 . . . . 28 VAL CG2  . 10219 1 
      284 . 1 1 28 28 VAL N    N 15 118.810 0.300 . 1 . . . . 28 VAL N    . 10219 1 
      285 . 1 1 29 29 HIS H    H  1   7.552 0.030 . 1 . . . . 29 HIS H    . 10219 1 
      286 . 1 1 29 29 HIS HA   H  1   4.109 0.030 . 1 . . . . 29 HIS HA   . 10219 1 
      287 . 1 1 29 29 HIS HB2  H  1   2.813 0.030 . 2 . . . . 29 HIS HB2  . 10219 1 
      288 . 1 1 29 29 HIS HB3  H  1   3.129 0.030 . 2 . . . . 29 HIS HB3  . 10219 1 
      289 . 1 1 29 29 HIS HD2  H  1   6.975 0.030 . 1 . . . . 29 HIS HD2  . 10219 1 
      290 . 1 1 29 29 HIS HE1  H  1   7.984 0.030 . 1 . . . . 29 HIS HE1  . 10219 1 
      291 . 1 1 29 29 HIS C    C 13 175.916 0.300 . 1 . . . . 29 HIS C    . 10219 1 
      292 . 1 1 29 29 HIS CA   C 13  59.370 0.300 . 1 . . . . 29 HIS CA   . 10219 1 
      293 . 1 1 29 29 HIS CB   C 13  28.596 0.300 . 1 . . . . 29 HIS CB   . 10219 1 
      294 . 1 1 29 29 HIS CD2  C 13 127.224 0.300 . 1 . . . . 29 HIS CD2  . 10219 1 
      295 . 1 1 29 29 HIS CE1  C 13 139.493 0.300 . 1 . . . . 29 HIS CE1  . 10219 1 
      296 . 1 1 29 29 HIS N    N 15 120.366 0.300 . 1 . . . . 29 HIS N    . 10219 1 
      297 . 1 1 30 30 GLN H    H  1   8.437 0.030 . 1 . . . . 30 GLN H    . 10219 1 
      298 . 1 1 30 30 GLN HA   H  1   3.714 0.030 . 1 . . . . 30 GLN HA   . 10219 1 
      299 . 1 1 30 30 GLN HB2  H  1   2.138 0.030 . 2 . . . . 30 GLN HB2  . 10219 1 
      300 . 1 1 30 30 GLN HB3  H  1   2.297 0.030 . 2 . . . . 30 GLN HB3  . 10219 1 
      301 . 1 1 30 30 GLN HE21 H  1   7.574 0.030 . 2 . . . . 30 GLN HE21 . 10219 1 
      302 . 1 1 30 30 GLN HE22 H  1   6.813 0.030 . 2 . . . . 30 GLN HE22 . 10219 1 
      303 . 1 1 30 30 GLN HG2  H  1   2.820 0.030 . 2 . . . . 30 GLN HG2  . 10219 1 
      304 . 1 1 30 30 GLN HG3  H  1   2.759 0.030 . 2 . . . . 30 GLN HG3  . 10219 1 
      305 . 1 1 30 30 GLN C    C 13 177.902 0.300 . 1 . . . . 30 GLN C    . 10219 1 
      306 . 1 1 30 30 GLN CA   C 13  59.344 0.300 . 1 . . . . 30 GLN CA   . 10219 1 
      307 . 1 1 30 30 GLN CB   C 13  28.168 0.300 . 1 . . . . 30 GLN CB   . 10219 1 
      308 . 1 1 30 30 GLN CG   C 13  35.400 0.300 . 1 . . . . 30 GLN CG   . 10219 1 
      309 . 1 1 30 30 GLN N    N 15 115.477 0.300 . 1 . . . . 30 GLN N    . 10219 1 
      310 . 1 1 30 30 GLN NE2  N 15 111.598 0.300 . 1 . . . . 30 GLN NE2  . 10219 1 
      311 . 1 1 31 31 GLY H    H  1   7.466 0.030 . 1 . . . . 31 GLY H    . 10219 1 
      312 . 1 1 31 31 GLY HA2  H  1   3.969 0.030 . 2 . . . . 31 GLY HA2  . 10219 1 
      313 . 1 1 31 31 GLY HA3  H  1   3.850 0.030 . 2 . . . . 31 GLY HA3  . 10219 1 
      314 . 1 1 31 31 GLY C    C 13 175.915 0.300 . 1 . . . . 31 GLY C    . 10219 1 
      315 . 1 1 31 31 GLY CA   C 13  46.630 0.300 . 1 . . . . 31 GLY CA   . 10219 1 
      316 . 1 1 31 31 GLY N    N 15 105.808 0.300 . 1 . . . . 31 GLY N    . 10219 1 
      317 . 1 1 32 32 ILE H    H  1   7.806 0.030 . 1 . . . . 32 ILE H    . 10219 1 
      318 . 1 1 32 32 ILE HA   H  1   4.000 0.030 . 1 . . . . 32 ILE HA   . 10219 1 
      319 . 1 1 32 32 ILE HB   H  1   1.620 0.030 . 1 . . . . 32 ILE HB   . 10219 1 
      320 . 1 1 32 32 ILE HD11 H  1   0.634 0.030 . 1 . . . . 32 ILE HD1  . 10219 1 
      321 . 1 1 32 32 ILE HD12 H  1   0.634 0.030 . 1 . . . . 32 ILE HD1  . 10219 1 
      322 . 1 1 32 32 ILE HD13 H  1   0.634 0.030 . 1 . . . . 32 ILE HD1  . 10219 1 
      323 . 1 1 32 32 ILE HG12 H  1   0.851 0.030 . 2 . . . . 32 ILE HG12 . 10219 1 
      324 . 1 1 32 32 ILE HG13 H  1   0.619 0.030 . 2 . . . . 32 ILE HG13 . 10219 1 
      325 . 1 1 32 32 ILE HG21 H  1   0.513 0.030 . 1 . . . . 32 ILE HG2  . 10219 1 
      326 . 1 1 32 32 ILE HG22 H  1   0.513 0.030 . 1 . . . . 32 ILE HG2  . 10219 1 
      327 . 1 1 32 32 ILE HG23 H  1   0.513 0.030 . 1 . . . . 32 ILE HG2  . 10219 1 
      328 . 1 1 32 32 ILE C    C 13 177.427 0.300 . 1 . . . . 32 ILE C    . 10219 1 
      329 . 1 1 32 32 ILE CA   C 13  62.775 0.300 . 1 . . . . 32 ILE CA   . 10219 1 
      330 . 1 1 32 32 ILE CB   C 13  37.641 0.300 . 1 . . . . 32 ILE CB   . 10219 1 
      331 . 1 1 32 32 ILE CD1  C 13  14.473 0.300 . 1 . . . . 32 ILE CD1  . 10219 1 
      332 . 1 1 32 32 ILE CG1  C 13  26.442 0.300 . 1 . . . . 32 ILE CG1  . 10219 1 
      333 . 1 1 32 32 ILE CG2  C 13  16.415 0.300 . 1 . . . . 32 ILE CG2  . 10219 1 
      334 . 1 1 32 32 ILE N    N 15 117.910 0.300 . 1 . . . . 32 ILE N    . 10219 1 
      335 . 1 1 33 33 HIS H    H  1   7.263 0.030 . 1 . . . . 33 HIS H    . 10219 1 
      336 . 1 1 33 33 HIS HA   H  1   4.807 0.030 . 1 . . . . 33 HIS HA   . 10219 1 
      337 . 1 1 33 33 HIS HB2  H  1   3.206 0.030 . 1 . . . . 33 HIS HB2  . 10219 1 
      338 . 1 1 33 33 HIS HB3  H  1   3.206 0.030 . 1 . . . . 33 HIS HB3  . 10219 1 
      339 . 1 1 33 33 HIS HD2  H  1   6.798 0.030 . 1 . . . . 33 HIS HD2  . 10219 1 
      340 . 1 1 33 33 HIS HE1  H  1   7.979 0.030 . 1 . . . . 33 HIS HE1  . 10219 1 
      341 . 1 1 33 33 HIS C    C 13 175.667 0.300 . 1 . . . . 33 HIS C    . 10219 1 
      342 . 1 1 33 33 HIS CA   C 13  55.199 0.300 . 1 . . . . 33 HIS CA   . 10219 1 
      343 . 1 1 33 33 HIS CB   C 13  28.669 0.300 . 1 . . . . 33 HIS CB   . 10219 1 
      344 . 1 1 33 33 HIS CD2  C 13 128.225 0.300 . 1 . . . . 33 HIS CD2  . 10219 1 
      345 . 1 1 33 33 HIS CE1  C 13 139.837 0.300 . 1 . . . . 33 HIS CE1  . 10219 1 
      346 . 1 1 33 33 HIS N    N 15 118.200 0.300 . 1 . . . . 33 HIS N    . 10219 1 
      347 . 1 1 34 34 THR H    H  1   7.742 0.030 . 1 . . . . 34 THR H    . 10219 1 
      348 . 1 1 34 34 THR HA   H  1   4.299 0.030 . 1 . . . . 34 THR HA   . 10219 1 
      349 . 1 1 34 34 THR HB   H  1   4.253 0.030 . 1 . . . . 34 THR HB   . 10219 1 
      350 . 1 1 34 34 THR HG21 H  1   1.184 0.030 . 1 . . . . 34 THR HG2  . 10219 1 
      351 . 1 1 34 34 THR HG22 H  1   1.184 0.030 . 1 . . . . 34 THR HG2  . 10219 1 
      352 . 1 1 34 34 THR HG23 H  1   1.184 0.030 . 1 . . . . 34 THR HG2  . 10219 1 
      353 . 1 1 34 34 THR C    C 13 175.347 0.300 . 1 . . . . 34 THR C    . 10219 1 
      354 . 1 1 34 34 THR CA   C 13  62.279 0.300 . 1 . . . . 34 THR CA   . 10219 1 
      355 . 1 1 34 34 THR CB   C 13  69.771 0.300 . 1 . . . . 34 THR CB   . 10219 1 
      356 . 1 1 34 34 THR CG2  C 13  21.555 0.300 . 1 . . . . 34 THR CG2  . 10219 1 
      357 . 1 1 34 34 THR N    N 15 111.663 0.300 . 1 . . . . 34 THR N    . 10219 1 
      358 . 1 1 35 35 GLY H    H  1   8.208 0.030 . 1 . . . . 35 GLY H    . 10219 1 
      359 . 1 1 35 35 GLY HA2  H  1   3.956 0.030 . 1 . . . . 35 GLY HA2  . 10219 1 
      360 . 1 1 35 35 GLY HA3  H  1   3.956 0.030 . 1 . . . . 35 GLY HA3  . 10219 1 
      361 . 1 1 35 35 GLY C    C 13 174.200 0.300 . 1 . . . . 35 GLY C    . 10219 1 
      362 . 1 1 35 35 GLY CA   C 13  45.464 0.300 . 1 . . . . 35 GLY CA   . 10219 1 
      363 . 1 1 35 35 GLY N    N 15 110.990 0.300 . 1 . . . . 35 GLY N    . 10219 1 
      364 . 1 1 36 36 VAL H    H  1   7.948 0.030 . 1 . . . . 36 VAL H    . 10219 1 
      365 . 1 1 36 36 VAL HA   H  1   4.124 0.030 . 1 . . . . 36 VAL HA   . 10219 1 
      366 . 1 1 36 36 VAL HB   H  1   2.031 0.030 . 1 . . . . 36 VAL HB   . 10219 1 
      367 . 1 1 36 36 VAL HG11 H  1   0.857 0.030 . 1 . . . . 36 VAL HG1  . 10219 1 
      368 . 1 1 36 36 VAL HG12 H  1   0.857 0.030 . 1 . . . . 36 VAL HG1  . 10219 1 
      369 . 1 1 36 36 VAL HG13 H  1   0.857 0.030 . 1 . . . . 36 VAL HG1  . 10219 1 
      370 . 1 1 36 36 VAL HG21 H  1   0.857 0.030 . 1 . . . . 36 VAL HG2  . 10219 1 
      371 . 1 1 36 36 VAL HG22 H  1   0.857 0.030 . 1 . . . . 36 VAL HG2  . 10219 1 
      372 . 1 1 36 36 VAL HG23 H  1   0.857 0.030 . 1 . . . . 36 VAL HG2  . 10219 1 
      373 . 1 1 36 36 VAL C    C 13 176.269 0.300 . 1 . . . . 36 VAL C    . 10219 1 
      374 . 1 1 36 36 VAL CA   C 13  62.268 0.300 . 1 . . . . 36 VAL CA   . 10219 1 
      375 . 1 1 36 36 VAL CB   C 13  32.701 0.300 . 1 . . . . 36 VAL CB   . 10219 1 
      376 . 1 1 36 36 VAL CG1  C 13  20.327 0.300 . 1 . . . . 36 VAL CG1  . 10219 1 
      377 . 1 1 36 36 VAL CG2  C 13  20.327 0.300 . 1 . . . . 36 VAL CG2  . 10219 1 
      378 . 1 1 36 36 VAL N    N 15 119.178 0.300 . 1 . . . . 36 VAL N    . 10219 1 
      379 . 1 1 37 37 SER H    H  1   8.363 0.030 . 1 . . . . 37 SER H    . 10219 1 
      380 . 1 1 37 37 SER HA   H  1   4.451 0.030 . 1 . . . . 37 SER HA   . 10219 1 
      381 . 1 1 37 37 SER HB2  H  1   3.847 0.030 . 2 . . . . 37 SER HB2  . 10219 1 
      382 . 1 1 37 37 SER HB3  H  1   3.793 0.030 . 2 . . . . 37 SER HB3  . 10219 1 
      383 . 1 1 37 37 SER C    C 13 174.469 0.300 . 1 . . . . 37 SER C    . 10219 1 
      384 . 1 1 37 37 SER CA   C 13  58.264 0.300 . 1 . . . . 37 SER CA   . 10219 1 
      385 . 1 1 37 37 SER CB   C 13  64.029 0.300 . 1 . . . . 37 SER CB   . 10219 1 
      386 . 1 1 37 37 SER N    N 15 119.506 0.300 . 1 . . . . 37 SER N    . 10219 1 
      387 . 1 1 38 38 GLY H    H  1   8.206 0.030 . 1 . . . . 38 GLY H    . 10219 1 
      388 . 1 1 38 38 GLY HA2  H  1   4.113 0.030 . 2 . . . . 38 GLY HA2  . 10219 1 
      389 . 1 1 38 38 GLY HA3  H  1   4.011 0.030 . 2 . . . . 38 GLY HA3  . 10219 1 
      390 . 1 1 38 38 GLY C    C 13 171.689 0.300 . 1 . . . . 38 GLY C    . 10219 1 
      391 . 1 1 38 38 GLY CA   C 13  44.602 0.300 . 1 . . . . 38 GLY CA   . 10219 1 
      392 . 1 1 38 38 GLY N    N 15 110.830 0.300 . 1 . . . . 38 GLY N    . 10219 1 
      393 . 1 1 39 39 PRO HA   H  1   4.416 0.030 . 1 . . . . 39 PRO HA   . 10219 1 
      394 . 1 1 39 39 PRO HB2  H  1   2.233 0.030 . 1 . . . . 39 PRO HB2  . 10219 1 
      395 . 1 1 39 39 PRO HB3  H  1   2.233 0.030 . 1 . . . . 39 PRO HB3  . 10219 1 
      396 . 1 1 39 39 PRO HD2  H  1   3.566 0.030 . 1 . . . . 39 PRO HD2  . 10219 1 
      397 . 1 1 39 39 PRO HD3  H  1   3.566 0.030 . 1 . . . . 39 PRO HD3  . 10219 1 
      398 . 1 1 39 39 PRO HG2  H  1   1.957 0.030 . 1 . . . . 39 PRO HG2  . 10219 1 
      399 . 1 1 39 39 PRO HG3  H  1   1.957 0.030 . 1 . . . . 39 PRO HG3  . 10219 1 
      400 . 1 1 39 39 PRO C    C 13 177.347 0.300 . 1 . . . . 39 PRO C    . 10219 1 
      401 . 1 1 39 39 PRO CA   C 13  63.184 0.300 . 1 . . . . 39 PRO CA   . 10219 1 
      402 . 1 1 39 39 PRO CB   C 13  32.171 0.300 . 1 . . . . 39 PRO CB   . 10219 1 
      403 . 1 1 39 39 PRO CD   C 13  49.787 0.300 . 1 . . . . 39 PRO CD   . 10219 1 
      404 . 1 1 39 39 PRO CG   C 13  27.105 0.300 . 1 . . . . 39 PRO CG   . 10219 1 
      405 . 1 1 40 40 SER H    H  1   8.503 0.030 . 1 . . . . 40 SER H    . 10219 1 
      406 . 1 1 40 40 SER HA   H  1   4.455 0.030 . 1 . . . . 40 SER HA   . 10219 1 
      407 . 1 1 40 40 SER HB2  H  1   3.854 0.030 . 2 . . . . 40 SER HB2  . 10219 1 
      408 . 1 1 40 40 SER HB3  H  1   3.798 0.030 . 2 . . . . 40 SER HB3  . 10219 1 
      409 . 1 1 40 40 SER C    C 13 174.649 0.300 . 1 . . . . 40 SER C    . 10219 1 
      410 . 1 1 40 40 SER CA   C 13  58.366 0.300 . 1 . . . . 40 SER CA   . 10219 1 
      411 . 1 1 40 40 SER CB   C 13  63.806 0.300 . 1 . . . . 40 SER CB   . 10219 1 
      412 . 1 1 40 40 SER N    N 15 116.420 0.300 . 1 . . . . 40 SER N    . 10219 1 
      413 . 1 1 41 41 SER H    H  1   8.301 0.030 . 1 . . . . 41 SER H    . 10219 1 
      414 . 1 1 41 41 SER HA   H  1   4.452 0.030 . 1 . . . . 41 SER HA   . 10219 1 
      415 . 1 1 41 41 SER HB2  H  1   3.859 0.030 . 1 . . . . 41 SER HB2  . 10219 1 
      416 . 1 1 41 41 SER HB3  H  1   3.859 0.030 . 1 . . . . 41 SER HB3  . 10219 1 
      417 . 1 1 41 41 SER C    C 13 173.899 0.300 . 1 . . . . 41 SER C    . 10219 1 
      418 . 1 1 41 41 SER CA   C 13  58.385 0.300 . 1 . . . . 41 SER CA   . 10219 1 
      419 . 1 1 41 41 SER CB   C 13  64.120 0.300 . 1 . . . . 41 SER CB   . 10219 1 
      420 . 1 1 41 41 SER N    N 15 117.874 0.300 . 1 . . . . 41 SER N    . 10219 1 
      421 . 1 1 42 42 GLY H    H  1   8.023 0.030 . 1 . . . . 42 GLY H    . 10219 1 
      422 . 1 1 42 42 GLY C    C 13 178.959 0.300 . 1 . . . . 42 GLY C    . 10219 1 
      423 . 1 1 42 42 GLY CA   C 13  46.224 0.300 . 1 . . . . 42 GLY CA   . 10219 1 
      424 . 1 1 42 42 GLY N    N 15 116.853 0.300 . 1 . . . . 42 GLY N    . 10219 1 

   stop_

save_