data_11363

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

save_entry_information
   _Entry.Sf_category                    entry_information
   _Entry.Sf_framecode                   entry_information
   _Entry.ID                             11363
   _Entry.Title                         
;
Solution structure of zinc finger HIT domain in protein FON
;
   _Entry.Type                           macromolecule
   _Entry.Version_type                   original
   _Entry.Submission_date                2010-09-07
   _Entry.Accession_date                 2010-09-07
   _Entry.Last_release_date              2011-09-07
   _Entry.Original_release_date          2011-09-07
   _Entry.Origination                    author
   _Entry.NMR_STAR_version               3.1.1.61
   _Entry.Original_NMR_STAR_version      3.0.9.14
   _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 F. He       . . . 11363 
      2 Y. Muto     . . . 11363 
      3 M. Inoue    . . . 11363 
      4 T. Kigawa   . . . 11363 
      5 M. Shirouzu . . . 11363 
      6 T. Terada   . . . 11363 
      7 S. Yokoyama . . . 11363 

   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

      . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11363 

   stop_

   loop_
      _Data_set.Type
      _Data_set.Count
      _Data_set.Entry_ID

      assigned_chemical_shifts 1 11363 

   stop_

   loop_
      _Datum.Type
      _Datum.Count
      _Datum.Entry_ID

      '13C chemical shifts' 211 11363 
      '15N chemical shifts'  46 11363 
      '1H chemical shifts'  304 11363 

   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 . . 2011-09-07 2010-09-07 original author . 11363 

   stop_

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

      PDB 1X4S 'BMRB Entry Tracking System' 11363 

   stop_

save_


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

save_citation_1
   _Citation.Sf_category                  citations
   _Citation.Sf_framecode                 citation_1
   _Citation.Entry_ID                     11363
   _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 zinc finger HIT domain in protein FON'
   _Citation.Status                      'in preparation'
   _Citation.Type                         journal
   _Citation.Journal_abbrev              'Protein Sci.'
   _Citation.Journal_name_full           'Protein Science'
   _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 F. He       . . . 11363 1 
       2 T. Umehara  . . . 11363 1 
       3 K. Tsuda    . . . 11363 1 
       4 M. Inoue    . . . 11363 1 
       5 T. Kigawa   . . . 11363 1 
       6 T. Matsuda  . . . 11363 1 
       7 T. Yabuki   . . . 11363 1 
       8 M. Aoki     . . . 11363 1 
       9 E. Seki     . . . 11363 1 
      10 T. Terada   . . . 11363 1 
      11 M. Shirouzu . . . 11363 1 
      12 A. Tanaka   . . . 11363 1 
      13 S. Sugano   . . . 11363 1 
      14 Y. Muto     . . . 11363 1 
      15 S. Yokoyama . . . 11363 1 

   stop_

save_


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

save_assembly
   _Assembly.Sf_category                       assembly
   _Assembly.Sf_framecode                      assembly
   _Assembly.Entry_ID                          11363
   _Assembly.ID                                1
   _Assembly.Name                             'Zinc finger HIT domain containing protein 2'
   _Assembly.BMRB_code                         .
   _Assembly.Number_of_components              3
   _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 'Zinc finger HIT domain' 1 $entity_1 A . yes native no no . . . 11363 1 
      2 'ZINC ION no.1'          2 $ZN       B . no  native no no . . . 11363 1 
      3 'ZINC ION no.2'          2 $ZN       C . no  native no no . . . 11363 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 'Zinc finger HIT domain' 1 CYS 14 14 SG  . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 14 CYS SG  . . . . ZN 11363 1 
      2 coordination single . 1 'Zinc finger HIT domain' 1 CYS 17 17 SG  . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 17 CYS SG  . . . . ZN 11363 1 
      3 coordination single . 1 'Zinc finger HIT domain' 1 CYS 37 37 SG  . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 37 CYS SG  . . . . ZN 11363 1 
      4 coordination single . 1 'Zinc finger HIT domain' 1 CYS 41 41 SG  . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 41 CYS SG  . . . . ZN 11363 1 
      5 coordination single . 1 'Zinc finger HIT domain' 1 CYS 29 29 SG  . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 29 CYS SG  . . . . ZN 11363 1 
      6 coordination single . 1 'Zinc finger HIT domain' 1 CYS 32 32 SG  . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 32 CYS SG  . . . . ZN 11363 1 
      7 coordination single . 1 'Zinc finger HIT domain' 1 HIS 45 45 NE2 . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 45 HIS NE2 . . . . ZN 11363 1 
      8 coordination single . 1 'Zinc finger HIT domain' 1 CYS 48 48 SG  . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 48 CYS SG  . . . . ZN 11363 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 45 45 HE2 . 45 HIS HE2 11363 1 
      . . 1 1 CYS 48 48 HG  . 48 CYS HG  11363 1 
      . . 1 1 CYS 29 29 HG  . 29 CYS HG  11363 1 
      . . 1 1 CYS 32 32 HG  . 32 CYS HG  11363 1 
      . . 1 1 CYS 37 37 HG  . 37 CYS HG  11363 1 
      . . 1 1 CYS 41 41 HG  . 41 CYS HG  11363 1 
      . . 1 1 CYS 14 14 HG  . 14 CYS HG  11363 1 
      . . 1 1 CYS 17 17 HG  . 17 CYS HG  11363 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

      yes PDB 1x4s . . . . . . 11363 1 

   stop_

save_


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

save_entity_1
   _Entity.Sf_category                       entity
   _Entity.Sf_framecode                      entity_1
   _Entity.Entry_ID                          11363
   _Entity.ID                                1
   _Entity.BMRB_code                         .
   _Entity.Name                             'Zinc finger HIT domain'
   _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      
;
GSSGSSGMEPAGPCGFCPAG
EVQPARYTCPRCNAPYCSLR
CYRTHGTCAENFYSGPSSG
;
   _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                59
   _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        2015-11-26

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

      1 no PDB 1X4S         . "Solution Structure Of Zinc Finger Hit Domain In Protein Fon"                      . . . . . 100.00  59 100.00 100.00 3.77e-32 . . . . 11363 1 
      2 no GB  AAH29825     . "ZNHIT2 protein, partial [Homo sapiens]"                                           . . . . .  77.97 177 100.00 100.00 6.28e-25 . . . . 11363 1 
      3 no GB  AAH38089     . "ZNHIT2 protein, partial [Homo sapiens]"                                           . . . . .  77.97 174 100.00 100.00 4.95e-25 . . . . 11363 1 
      4 no REF XP_003828657 . "PREDICTED: zinc finger HIT domain-containing protein 2 [Pan paniscus]"            . . . . .  77.97 403 100.00 100.00 1.60e-24 . . . . 11363 1 
      5 no REF XP_004051533 . "PREDICTED: zinc finger HIT domain-containing protein 2 [Gorilla gorilla gorilla]" . . . . .  77.97 403  97.83  97.83 9.43e-24 . . . . 11363 1 
      6 no REF XP_522056    . "PREDICTED: zinc finger HIT domain-containing protein 2 [Pan troglodytes]"         . . . . .  77.97 403 100.00 100.00 1.60e-24 . . . . 11363 1 

   stop_

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

      'Zinc finger HIT domain' . 11363 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 . 11363 1 
       2 . SER . 11363 1 
       3 . SER . 11363 1 
       4 . GLY . 11363 1 
       5 . SER . 11363 1 
       6 . SER . 11363 1 
       7 . GLY . 11363 1 
       8 . MET . 11363 1 
       9 . GLU . 11363 1 
      10 . PRO . 11363 1 
      11 . ALA . 11363 1 
      12 . GLY . 11363 1 
      13 . PRO . 11363 1 
      14 . CYS . 11363 1 
      15 . GLY . 11363 1 
      16 . PHE . 11363 1 
      17 . CYS . 11363 1 
      18 . PRO . 11363 1 
      19 . ALA . 11363 1 
      20 . GLY . 11363 1 
      21 . GLU . 11363 1 
      22 . VAL . 11363 1 
      23 . GLN . 11363 1 
      24 . PRO . 11363 1 
      25 . ALA . 11363 1 
      26 . ARG . 11363 1 
      27 . TYR . 11363 1 
      28 . THR . 11363 1 
      29 . CYS . 11363 1 
      30 . PRO . 11363 1 
      31 . ARG . 11363 1 
      32 . CYS . 11363 1 
      33 . ASN . 11363 1 
      34 . ALA . 11363 1 
      35 . PRO . 11363 1 
      36 . TYR . 11363 1 
      37 . CYS . 11363 1 
      38 . SER . 11363 1 
      39 . LEU . 11363 1 
      40 . ARG . 11363 1 
      41 . CYS . 11363 1 
      42 . TYR . 11363 1 
      43 . ARG . 11363 1 
      44 . THR . 11363 1 
      45 . HIS . 11363 1 
      46 . GLY . 11363 1 
      47 . THR . 11363 1 
      48 . CYS . 11363 1 
      49 . ALA . 11363 1 
      50 . GLU . 11363 1 
      51 . ASN . 11363 1 
      52 . PHE . 11363 1 
      53 . TYR . 11363 1 
      54 . SER . 11363 1 
      55 . GLY . 11363 1 
      56 . PRO . 11363 1 
      57 . SER . 11363 1 
      58 . SER . 11363 1 
      59 . GLY . 11363 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 11363 1 
      . SER  2  2 11363 1 
      . SER  3  3 11363 1 
      . GLY  4  4 11363 1 
      . SER  5  5 11363 1 
      . SER  6  6 11363 1 
      . GLY  7  7 11363 1 
      . MET  8  8 11363 1 
      . GLU  9  9 11363 1 
      . PRO 10 10 11363 1 
      . ALA 11 11 11363 1 
      . GLY 12 12 11363 1 
      . PRO 13 13 11363 1 
      . CYS 14 14 11363 1 
      . GLY 15 15 11363 1 
      . PHE 16 16 11363 1 
      . CYS 17 17 11363 1 
      . PRO 18 18 11363 1 
      . ALA 19 19 11363 1 
      . GLY 20 20 11363 1 
      . GLU 21 21 11363 1 
      . VAL 22 22 11363 1 
      . GLN 23 23 11363 1 
      . PRO 24 24 11363 1 
      . ALA 25 25 11363 1 
      . ARG 26 26 11363 1 
      . TYR 27 27 11363 1 
      . THR 28 28 11363 1 
      . CYS 29 29 11363 1 
      . PRO 30 30 11363 1 
      . ARG 31 31 11363 1 
      . CYS 32 32 11363 1 
      . ASN 33 33 11363 1 
      . ALA 34 34 11363 1 
      . PRO 35 35 11363 1 
      . TYR 36 36 11363 1 
      . CYS 37 37 11363 1 
      . SER 38 38 11363 1 
      . LEU 39 39 11363 1 
      . ARG 40 40 11363 1 
      . CYS 41 41 11363 1 
      . TYR 42 42 11363 1 
      . ARG 43 43 11363 1 
      . THR 44 44 11363 1 
      . HIS 45 45 11363 1 
      . GLY 46 46 11363 1 
      . THR 47 47 11363 1 
      . CYS 48 48 11363 1 
      . ALA 49 49 11363 1 
      . GLU 50 50 11363 1 
      . ASN 51 51 11363 1 
      . PHE 52 52 11363 1 
      . TYR 53 53 11363 1 
      . SER 54 54 11363 1 
      . GLY 55 55 11363 1 
      . PRO 56 56 11363 1 
      . SER 57 57 11363 1 
      . SER 58 58 11363 1 
      . GLY 59 59 11363 1 

   stop_

save_


save_ZN
   _Entity.Sf_category                       entity
   _Entity.Sf_framecode                      ZN
   _Entity.Entry_ID                          11363
   _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   no
   _Entity.Ambiguous_chem_comp_sites         no
   _Entity.Nstd_monomer                      .
   _Entity.Nstd_chirality                    no
   _Entity.Nstd_linkage                      no
   _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 . 11363 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       11363
   _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 . . . . . . . . . . . . . . . . . . . . . 11363 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       11363
   _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' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . P040906-13 . . . . . . 11363 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                          11363
   _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                    no
   _Chem_comp.Initial_date                      1999-07-08
   _Chem_comp.Modified_date                     2008-12-05
   _Chem_comp.Release_status                    REL
   _Chem_comp.Replaced_by                       .
   _Chem_comp.Replaces                          .
   _Chem_comp.One_letter_code                   .
   _Chem_comp.Three_letter_code                 ZN
   _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                          no
   _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    no
   _Chem_comp.Ideal_coordinates_details         .
   _Chem_comp.Ideal_coordinates_missing_flag    no
   _Chem_comp.Model_coordinates_db_code         .
   _Chem_comp.Processing_site                   RCSB
   _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 Tue Jun  9 16:52:42 2009
;
   _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               1.02b     11363 ZN 
      PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey          InChI               1.02b     11363 ZN 
      [Zn++]                    SMILES            CACTVS                  3.341 11363 ZN 
      [Zn++]                    SMILES_CANONICAL  CACTVS                  3.341 11363 ZN 
      [Zn+2]                    SMILES            ACDLabs                10.04  11363 ZN 
      [Zn+2]                    SMILES           'OpenEye OEToolkits' 1.5.0     11363 ZN 
      [Zn+2]                    SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0     11363 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             'SYSTEMATIC NAME'  ACDLabs                10.04 11363 ZN 
      'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0    11363 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 . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 11363 ZN 

   stop_

save_


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

save_sample_1
   _Sample.Sf_category                      sample
   _Sample.Sf_framecode                     sample_1
   _Sample.Entry_ID                         11363
   _Sample.ID                               1
   _Sample.Type                             solution
   _Sample.Sub_type                         .
   _Sample.Details                         
;
0.8mM U-15, {13C;} 20mM d-Tris-HCl(pH {7.0);} 100mM {NaCl;} 100uM {ZnCl2;} 
1mM {d-DTT;} 0.02% NaN3
;
   _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 'Zinc finger HIT domain' '[U-13C; U-15N]'    . . 1 $entity_1 . protein   0.8  . . mM . . . . 11363 1 
      2  d-Tris-HCl              'natural abundance' . .  .  .        . buffer   20    . . mM . . . . 11363 1 
      3  NaCl                    'natural abundance' . .  .  .        . salt    100    . . mM . . . . 11363 1 
      4  ZnCl2                   'natural abundance' . .  .  .        . salt    100    . . uM . . . . 11363 1 
      5  d-DTT                   'natural abundance' . .  .  .        . salt      1    . . mM . . . . 11363 1 
      6  NaN3                    'natural abundance' . .  .  .        . salt      0.02 . . %  . . . . 11363 1 
      7  H2O                      .                  . .  .  .        . solvent  90    . . %  . . . . 11363 1 
      8  D2O                      .                  . .  .  .        . solvent  10    . . %  . . . . 11363 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       11363
   _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  11363 1 
       pH                7.0 0.05  pH  11363 1 
       pressure          1   0.001 atm 11363 1 
       temperature     298   0.1   K   11363 1 

   stop_

save_


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

save_XWINNMR
   _Software.Sf_category    software
   _Software.Sf_framecode   XWINNMR
   _Software.Entry_ID       11363
   _Software.ID             1
   _Software.Name           xwinnmr
   _Software.Version        2.6
   _Software.Details        .

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

      Bruker . . 11363 1 

   stop_

   loop_
      _Task.Task
      _Task.Entry_ID
      _Task.Software_ID

      collection 11363 1 

   stop_

save_


save_NMRPipe
   _Software.Sf_category    software
   _Software.Sf_framecode   NMRPipe
   _Software.Entry_ID       11363
   _Software.ID             2
   _Software.Name           NMRPipe
   _Software.Version        20031121
   _Software.Details        .

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

      'Delaglio F.' . . 11363 2 

   stop_

   loop_
      _Task.Task
      _Task.Entry_ID
      _Task.Software_ID

      processing 11363 2 

   stop_

save_


save_NMRView
   _Software.Sf_category    software
   _Software.Sf_framecode   NMRView
   _Software.Entry_ID       11363
   _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.' . . 11363 3 

   stop_

   loop_
      _Task.Task
      _Task.Entry_ID
      _Task.Software_ID

      'data analysis' 11363 3 

   stop_

save_


save_Kujira
   _Software.Sf_category    software
   _Software.Sf_framecode   Kujira
   _Software.Entry_ID       11363
   _Software.ID             4
   _Software.Name           Kujira
   _Software.Version        0.863
   _Software.Details        .

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

      'Kobayashi N.' . . 11363 4 

   stop_

   loop_
      _Task.Task
      _Task.Entry_ID
      _Task.Software_ID

      'data analysis' 11363 4 

   stop_

save_


save_CYANA
   _Software.Sf_category    software
   _Software.Sf_framecode   CYANA
   _Software.Entry_ID       11363
   _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.' . . 11363 5 

   stop_

   loop_
      _Task.Task
      _Task.Entry_ID
      _Task.Software_ID

       refinement          11363 5 
      'structure solution' 11363 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         11363
   _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       11363
   _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 . . . 11363 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       11363
   _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 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11363 1 
      2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11363 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       11363
   _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 . . . . . . . . . 11363 1 
      H  1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0         . . . . . . . . . 11363 1 
      N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11363 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                      11363
   _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 15N-separated NOESY' 1 $sample_1 isotropic 11363 1 
      2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11363 1 

   stop_

   loop_
      _Chem_shift_software.Software_ID
      _Chem_shift_software.Software_label
      _Chem_shift_software.Method_ID
      _Chem_shift_software.Method_label
      _Chem_shift_software.Entry_ID
      _Chem_shift_software.Assigned_chem_shift_list_ID

      1 $XWINNMR . . 11363 1 
      2 $NMRPipe . . 11363 1 
      3 $NMRView . . 11363 1 
      4 $Kujira  . . 11363 1 
      5 $CYANA   . . 11363 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   4.488 0.030 . 1 . . . .  6 SER HA   . 11363 1 
        2 . 1 1  6  6 SER HB2  H  1   3.873 0.030 . 1 . . . .  6 SER HB2  . 11363 1 
        3 . 1 1  6  6 SER HB3  H  1   3.873 0.030 . 1 . . . .  6 SER HB3  . 11363 1 
        4 . 1 1  6  6 SER C    C 13 175.007 0.300 . 1 . . . .  6 SER C    . 11363 1 
        5 . 1 1  6  6 SER CA   C 13  58.745 0.300 . 1 . . . .  6 SER CA   . 11363 1 
        6 . 1 1  6  6 SER CB   C 13  63.861 0.300 . 1 . . . .  6 SER CB   . 11363 1 
        7 . 1 1  7  7 GLY H    H  1   8.418 0.030 . 1 . . . .  7 GLY H    . 11363 1 
        8 . 1 1  7  7 GLY HA2  H  1   3.958 0.030 . 1 . . . .  7 GLY HA2  . 11363 1 
        9 . 1 1  7  7 GLY HA3  H  1   3.958 0.030 . 1 . . . .  7 GLY HA3  . 11363 1 
       10 . 1 1  7  7 GLY C    C 13 173.958 0.300 . 1 . . . .  7 GLY C    . 11363 1 
       11 . 1 1  7  7 GLY CA   C 13  45.382 0.300 . 1 . . . .  7 GLY CA   . 11363 1 
       12 . 1 1  7  7 GLY N    N 15 110.818 0.300 . 1 . . . .  7 GLY N    . 11363 1 
       13 . 1 1  8  8 MET H    H  1   8.137 0.030 . 1 . . . .  8 MET H    . 11363 1 
       14 . 1 1  8  8 MET HA   H  1   4.480 0.030 . 1 . . . .  8 MET HA   . 11363 1 
       15 . 1 1  8  8 MET HB2  H  1   2.052 0.030 . 2 . . . .  8 MET HB2  . 11363 1 
       16 . 1 1  8  8 MET HB3  H  1   1.930 0.030 . 2 . . . .  8 MET HB3  . 11363 1 
       17 . 1 1  8  8 MET HE1  H  1   2.063 0.030 . 1 . . . .  8 MET HE   . 11363 1 
       18 . 1 1  8  8 MET HE2  H  1   2.063 0.030 . 1 . . . .  8 MET HE   . 11363 1 
       19 . 1 1  8  8 MET HE3  H  1   2.063 0.030 . 1 . . . .  8 MET HE   . 11363 1 
       20 . 1 1  8  8 MET HG2  H  1   2.540 0.030 . 2 . . . .  8 MET HG2  . 11363 1 
       21 . 1 1  8  8 MET HG3  H  1   2.470 0.030 . 2 . . . .  8 MET HG3  . 11363 1 
       22 . 1 1  8  8 MET C    C 13 175.990 0.300 . 1 . . . .  8 MET C    . 11363 1 
       23 . 1 1  8  8 MET CA   C 13  55.119 0.300 . 1 . . . .  8 MET CA   . 11363 1 
       24 . 1 1  8  8 MET CB   C 13  33.091 0.300 . 1 . . . .  8 MET CB   . 11363 1 
       25 . 1 1  8  8 MET CE   C 13  16.973 0.300 . 1 . . . .  8 MET CE   . 11363 1 
       26 . 1 1  8  8 MET CG   C 13  31.974 0.300 . 1 . . . .  8 MET CG   . 11363 1 
       27 . 1 1  8  8 MET N    N 15 119.482 0.300 . 1 . . . .  8 MET N    . 11363 1 
       28 . 1 1  9  9 GLU H    H  1   8.420 0.030 . 1 . . . .  9 GLU H    . 11363 1 
       29 . 1 1  9  9 GLU HA   H  1   4.500 0.030 . 1 . . . .  9 GLU HA   . 11363 1 
       30 . 1 1  9  9 GLU HB2  H  1   1.977 0.030 . 2 . . . .  9 GLU HB2  . 11363 1 
       31 . 1 1  9  9 GLU HB3  H  1   1.852 0.030 . 2 . . . .  9 GLU HB3  . 11363 1 
       32 . 1 1  9  9 GLU HG2  H  1   2.266 0.030 . 1 . . . .  9 GLU HG2  . 11363 1 
       33 . 1 1  9  9 GLU HG3  H  1   2.266 0.030 . 1 . . . .  9 GLU HG3  . 11363 1 
       34 . 1 1  9  9 GLU C    C 13 174.387 0.300 . 1 . . . .  9 GLU C    . 11363 1 
       35 . 1 1  9  9 GLU CA   C 13  54.563 0.300 . 1 . . . .  9 GLU CA   . 11363 1 
       36 . 1 1  9  9 GLU CB   C 13  29.429 0.300 . 1 . . . .  9 GLU CB   . 11363 1 
       37 . 1 1  9  9 GLU CG   C 13  35.959 0.300 . 1 . . . .  9 GLU CG   . 11363 1 
       38 . 1 1  9  9 GLU N    N 15 123.615 0.300 . 1 . . . .  9 GLU N    . 11363 1 
       39 . 1 1 10 10 PRO HA   H  1   4.314 0.030 . 1 . . . . 10 PRO HA   . 11363 1 
       40 . 1 1 10 10 PRO HB2  H  1   2.112 0.030 . 2 . . . . 10 PRO HB2  . 11363 1 
       41 . 1 1 10 10 PRO HB3  H  1   1.784 0.030 . 2 . . . . 10 PRO HB3  . 11363 1 
       42 . 1 1 10 10 PRO HD2  H  1   3.718 0.030 . 2 . . . . 10 PRO HD2  . 11363 1 
       43 . 1 1 10 10 PRO HD3  H  1   3.580 0.030 . 2 . . . . 10 PRO HD3  . 11363 1 
       44 . 1 1 10 10 PRO HG2  H  1   1.885 0.030 . 2 . . . . 10 PRO HG2  . 11363 1 
       45 . 1 1 10 10 PRO HG3  H  1   1.850 0.030 . 2 . . . . 10 PRO HG3  . 11363 1 
       46 . 1 1 10 10 PRO C    C 13 176.133 0.300 . 1 . . . . 10 PRO C    . 11363 1 
       47 . 1 1 10 10 PRO CA   C 13  63.053 0.300 . 1 . . . . 10 PRO CA   . 11363 1 
       48 . 1 1 10 10 PRO CB   C 13  31.985 0.300 . 1 . . . . 10 PRO CB   . 11363 1 
       49 . 1 1 10 10 PRO CD   C 13  50.458 0.300 . 1 . . . . 10 PRO CD   . 11363 1 
       50 . 1 1 10 10 PRO CG   C 13  27.289 0.300 . 1 . . . . 10 PRO CG   . 11363 1 
       51 . 1 1 11 11 ALA H    H  1   8.239 0.030 . 1 . . . . 11 ALA H    . 11363 1 
       52 . 1 1 11 11 ALA HA   H  1   4.357 0.030 . 1 . . . . 11 ALA HA   . 11363 1 
       53 . 1 1 11 11 ALA HB1  H  1   1.279 0.030 . 1 . . . . 11 ALA HB   . 11363 1 
       54 . 1 1 11 11 ALA HB2  H  1   1.279 0.030 . 1 . . . . 11 ALA HB   . 11363 1 
       55 . 1 1 11 11 ALA HB3  H  1   1.279 0.030 . 1 . . . . 11 ALA HB   . 11363 1 
       56 . 1 1 11 11 ALA C    C 13 177.498 0.300 . 1 . . . . 11 ALA C    . 11363 1 
       57 . 1 1 11 11 ALA CA   C 13  52.054 0.300 . 1 . . . . 11 ALA CA   . 11363 1 
       58 . 1 1 11 11 ALA CB   C 13  19.982 0.300 . 1 . . . . 11 ALA CB   . 11363 1 
       59 . 1 1 11 11 ALA N    N 15 124.138 0.300 . 1 . . . . 11 ALA N    . 11363 1 
       60 . 1 1 12 12 GLY H    H  1   8.150 0.030 . 1 . . . . 12 GLY H    . 11363 1 
       61 . 1 1 12 12 GLY HA2  H  1   4.110 0.030 . 2 . . . . 12 GLY HA2  . 11363 1 
       62 . 1 1 12 12 GLY HA3  H  1   3.974 0.030 . 2 . . . . 12 GLY HA3  . 11363 1 
       63 . 1 1 12 12 GLY C    C 13 177.528 0.300 . 1 . . . . 12 GLY C    . 11363 1 
       64 . 1 1 12 12 GLY CA   C 13  44.404 0.300 . 1 . . . . 12 GLY CA   . 11363 1 
       65 . 1 1 12 12 GLY N    N 15 108.262 0.300 . 1 . . . . 12 GLY N    . 11363 1 
       66 . 1 1 13 13 PRO HA   H  1   4.415 0.030 . 1 . . . . 13 PRO HA   . 11363 1 
       67 . 1 1 13 13 PRO HB2  H  1   2.093 0.030 . 2 . . . . 13 PRO HB2  . 11363 1 
       68 . 1 1 13 13 PRO HB3  H  1   1.781 0.030 . 2 . . . . 13 PRO HB3  . 11363 1 
       69 . 1 1 13 13 PRO HD2  H  1   3.593 0.030 . 2 . . . . 13 PRO HD2  . 11363 1 
       70 . 1 1 13 13 PRO HD3  H  1   3.507 0.030 . 2 . . . . 13 PRO HD3  . 11363 1 
       71 . 1 1 13 13 PRO HG2  H  1   1.942 0.030 . 1 . . . . 13 PRO HG2  . 11363 1 
       72 . 1 1 13 13 PRO HG3  H  1   1.942 0.030 . 1 . . . . 13 PRO HG3  . 11363 1 
       73 . 1 1 13 13 PRO C    C 13 176.871 0.300 . 1 . . . . 13 PRO C    . 11363 1 
       74 . 1 1 13 13 PRO CA   C 13  62.492 0.300 . 1 . . . . 13 PRO CA   . 11363 1 
       75 . 1 1 13 13 PRO CB   C 13  32.562 0.300 . 1 . . . . 13 PRO CB   . 11363 1 
       76 . 1 1 13 13 PRO CD   C 13  49.553 0.300 . 1 . . . . 13 PRO CD   . 11363 1 
       77 . 1 1 13 13 PRO CG   C 13  26.760 0.300 . 1 . . . . 13 PRO CG   . 11363 1 
       78 . 1 1 14 14 CYS H    H  1   8.494 0.030 . 1 . . . . 14 CYS H    . 11363 1 
       79 . 1 1 14 14 CYS HA   H  1   3.921 0.030 . 1 . . . . 14 CYS HA   . 11363 1 
       80 . 1 1 14 14 CYS HB2  H  1   3.831 0.030 . 2 . . . . 14 CYS HB2  . 11363 1 
       81 . 1 1 14 14 CYS HB3  H  1   2.661 0.030 . 2 . . . . 14 CYS HB3  . 11363 1 
       82 . 1 1 14 14 CYS C    C 13 176.555 0.300 . 1 . . . . 14 CYS C    . 11363 1 
       83 . 1 1 14 14 CYS CA   C 13  60.716 0.300 . 1 . . . . 14 CYS CA   . 11363 1 
       84 . 1 1 14 14 CYS CB   C 13  31.837 0.300 . 1 . . . . 14 CYS CB   . 11363 1 
       85 . 1 1 14 14 CYS N    N 15 124.262 0.300 . 1 . . . . 14 CYS N    . 11363 1 
       86 . 1 1 15 15 GLY H    H  1   8.804 0.030 . 1 . . . . 15 GLY H    . 11363 1 
       87 . 1 1 15 15 GLY HA2  H  1   4.029 0.030 . 2 . . . . 15 GLY HA2  . 11363 1 
       88 . 1 1 15 15 GLY HA3  H  1   3.270 0.030 . 2 . . . . 15 GLY HA3  . 11363 1 
       89 . 1 1 15 15 GLY C    C 13 174.077 0.300 . 1 . . . . 15 GLY C    . 11363 1 
       90 . 1 1 15 15 GLY CA   C 13  45.858 0.300 . 1 . . . . 15 GLY CA   . 11363 1 
       91 . 1 1 15 15 GLY N    N 15 117.115 0.300 . 1 . . . . 15 GLY N    . 11363 1 
       92 . 1 1 16 16 PHE H    H  1   9.149 0.030 . 1 . . . . 16 PHE H    . 11363 1 
       93 . 1 1 16 16 PHE HA   H  1   4.725 0.030 . 1 . . . . 16 PHE HA   . 11363 1 
       94 . 1 1 16 16 PHE HB2  H  1   3.401 0.030 . 2 . . . . 16 PHE HB2  . 11363 1 
       95 . 1 1 16 16 PHE HB3  H  1   2.928 0.030 . 2 . . . . 16 PHE HB3  . 11363 1 
       96 . 1 1 16 16 PHE HD1  H  1   7.460 0.030 . 1 . . . . 16 PHE HD1  . 11363 1 
       97 . 1 1 16 16 PHE HD2  H  1   7.460 0.030 . 1 . . . . 16 PHE HD2  . 11363 1 
       98 . 1 1 16 16 PHE HZ   H  1   7.166 0.030 . 1 . . . . 16 PHE HZ   . 11363 1 
       99 . 1 1 16 16 PHE C    C 13 175.593 0.300 . 1 . . . . 16 PHE C    . 11363 1 
      100 . 1 1 16 16 PHE CA   C 13  58.450 0.300 . 1 . . . . 16 PHE CA   . 11363 1 
      101 . 1 1 16 16 PHE CB   C 13  41.063 0.300 . 1 . . . . 16 PHE CB   . 11363 1 
      102 . 1 1 16 16 PHE CD1  C 13 132.139 0.300 . 1 . . . . 16 PHE CD1  . 11363 1 
      103 . 1 1 16 16 PHE CD2  C 13 132.139 0.300 . 1 . . . . 16 PHE CD2  . 11363 1 
      104 . 1 1 16 16 PHE CZ   C 13 129.630 0.300 . 1 . . . . 16 PHE CZ   . 11363 1 
      105 . 1 1 16 16 PHE N    N 15 120.923 0.300 . 1 . . . . 16 PHE N    . 11363 1 
      106 . 1 1 17 17 CYS H    H  1   7.060 0.030 . 1 . . . . 17 CYS H    . 11363 1 
      107 . 1 1 17 17 CYS HA   H  1   4.196 0.030 . 1 . . . . 17 CYS HA   . 11363 1 
      108 . 1 1 17 17 CYS HB2  H  1   2.941 0.030 . 2 . . . . 17 CYS HB2  . 11363 1 
      109 . 1 1 17 17 CYS HB3  H  1   2.605 0.030 . 2 . . . . 17 CYS HB3  . 11363 1 
      110 . 1 1 17 17 CYS C    C 13 173.106 0.300 . 1 . . . . 17 CYS C    . 11363 1 
      111 . 1 1 17 17 CYS CA   C 13  61.715 0.300 . 1 . . . . 17 CYS CA   . 11363 1 
      112 . 1 1 17 17 CYS CB   C 13  31.302 0.300 . 1 . . . . 17 CYS CB   . 11363 1 
      113 . 1 1 17 17 CYS N    N 15 124.814 0.300 . 1 . . . . 17 CYS N    . 11363 1 
      114 . 1 1 18 18 PRO HA   H  1   4.391 0.030 . 1 . . . . 18 PRO HA   . 11363 1 
      115 . 1 1 18 18 PRO HB2  H  1   2.308 0.030 . 2 . . . . 18 PRO HB2  . 11363 1 
      116 . 1 1 18 18 PRO HB3  H  1   1.832 0.030 . 2 . . . . 18 PRO HB3  . 11363 1 
      117 . 1 1 18 18 PRO HD2  H  1   3.783 0.030 . 2 . . . . 18 PRO HD2  . 11363 1 
      118 . 1 1 18 18 PRO HD3  H  1   3.534 0.030 . 2 . . . . 18 PRO HD3  . 11363 1 
      119 . 1 1 18 18 PRO HG2  H  1   2.010 0.030 . 1 . . . . 18 PRO HG2  . 11363 1 
      120 . 1 1 18 18 PRO HG3  H  1   2.010 0.030 . 1 . . . . 18 PRO HG3  . 11363 1 
      121 . 1 1 18 18 PRO C    C 13 175.981 0.300 . 1 . . . . 18 PRO C    . 11363 1 
      122 . 1 1 18 18 PRO CA   C 13  62.345 0.300 . 1 . . . . 18 PRO CA   . 11363 1 
      123 . 1 1 18 18 PRO CB   C 13  32.097 0.300 . 1 . . . . 18 PRO CB   . 11363 1 
      124 . 1 1 18 18 PRO CD   C 13  50.479 0.300 . 1 . . . . 18 PRO CD   . 11363 1 
      125 . 1 1 18 18 PRO CG   C 13  27.625 0.300 . 1 . . . . 18 PRO CG   . 11363 1 
      126 . 1 1 19 19 ALA H    H  1   8.212 0.030 . 1 . . . . 19 ALA H    . 11363 1 
      127 . 1 1 19 19 ALA HA   H  1   3.999 0.030 . 1 . . . . 19 ALA HA   . 11363 1 
      128 . 1 1 19 19 ALA HB1  H  1   1.352 0.030 . 1 . . . . 19 ALA HB   . 11363 1 
      129 . 1 1 19 19 ALA HB2  H  1   1.352 0.030 . 1 . . . . 19 ALA HB   . 11363 1 
      130 . 1 1 19 19 ALA HB3  H  1   1.352 0.030 . 1 . . . . 19 ALA HB   . 11363 1 
      131 . 1 1 19 19 ALA C    C 13 179.075 0.300 . 1 . . . . 19 ALA C    . 11363 1 
      132 . 1 1 19 19 ALA CA   C 13  53.787 0.300 . 1 . . . . 19 ALA CA   . 11363 1 
      133 . 1 1 19 19 ALA CB   C 13  18.254 0.300 . 1 . . . . 19 ALA CB   . 11363 1 
      134 . 1 1 19 19 ALA N    N 15 122.906 0.300 . 1 . . . . 19 ALA N    . 11363 1 
      135 . 1 1 20 20 GLY H    H  1   8.663 0.030 . 1 . . . . 20 GLY H    . 11363 1 
      136 . 1 1 20 20 GLY HA2  H  1   4.179 0.030 . 2 . . . . 20 GLY HA2  . 11363 1 
      137 . 1 1 20 20 GLY HA3  H  1   3.780 0.030 . 2 . . . . 20 GLY HA3  . 11363 1 
      138 . 1 1 20 20 GLY C    C 13 174.394 0.300 . 1 . . . . 20 GLY C    . 11363 1 
      139 . 1 1 20 20 GLY CA   C 13  45.331 0.300 . 1 . . . . 20 GLY CA   . 11363 1 
      140 . 1 1 20 20 GLY N    N 15 109.238 0.300 . 1 . . . . 20 GLY N    . 11363 1 
      141 . 1 1 21 21 GLU H    H  1   7.986 0.030 . 1 . . . . 21 GLU H    . 11363 1 
      142 . 1 1 21 21 GLU HA   H  1   4.620 0.030 . 1 . . . . 21 GLU HA   . 11363 1 
      143 . 1 1 21 21 GLU HB2  H  1   2.212 0.030 . 2 . . . . 21 GLU HB2  . 11363 1 
      144 . 1 1 21 21 GLU HB3  H  1   1.779 0.030 . 2 . . . . 21 GLU HB3  . 11363 1 
      145 . 1 1 21 21 GLU HG2  H  1   2.128 0.030 . 1 . . . . 21 GLU HG2  . 11363 1 
      146 . 1 1 21 21 GLU HG3  H  1   2.128 0.030 . 1 . . . . 21 GLU HG3  . 11363 1 
      147 . 1 1 21 21 GLU C    C 13 175.181 0.300 . 1 . . . . 21 GLU C    . 11363 1 
      148 . 1 1 21 21 GLU CA   C 13  54.895 0.300 . 1 . . . . 21 GLU CA   . 11363 1 
      149 . 1 1 21 21 GLU CB   C 13  30.633 0.300 . 1 . . . . 21 GLU CB   . 11363 1 
      150 . 1 1 21 21 GLU CG   C 13  36.302 0.300 . 1 . . . . 21 GLU CG   . 11363 1 
      151 . 1 1 21 21 GLU N    N 15 121.101 0.300 . 1 . . . . 21 GLU N    . 11363 1 
      152 . 1 1 22 22 VAL H    H  1   7.806 0.030 . 1 . . . . 22 VAL H    . 11363 1 
      153 . 1 1 22 22 VAL HA   H  1   4.058 0.030 . 1 . . . . 22 VAL HA   . 11363 1 
      154 . 1 1 22 22 VAL HB   H  1   1.960 0.030 . 1 . . . . 22 VAL HB   . 11363 1 
      155 . 1 1 22 22 VAL HG11 H  1   0.971 0.030 . 1 . . . . 22 VAL HG1  . 11363 1 
      156 . 1 1 22 22 VAL HG12 H  1   0.971 0.030 . 1 . . . . 22 VAL HG1  . 11363 1 
      157 . 1 1 22 22 VAL HG13 H  1   0.971 0.030 . 1 . . . . 22 VAL HG1  . 11363 1 
      158 . 1 1 22 22 VAL HG21 H  1   0.978 0.030 . 1 . . . . 22 VAL HG2  . 11363 1 
      159 . 1 1 22 22 VAL HG22 H  1   0.978 0.030 . 1 . . . . 22 VAL HG2  . 11363 1 
      160 . 1 1 22 22 VAL HG23 H  1   0.978 0.030 . 1 . . . . 22 VAL HG2  . 11363 1 
      161 . 1 1 22 22 VAL C    C 13 176.081 0.300 . 1 . . . . 22 VAL C    . 11363 1 
      162 . 1 1 22 22 VAL CA   C 13  63.377 0.300 . 1 . . . . 22 VAL CA   . 11363 1 
      163 . 1 1 22 22 VAL CB   C 13  32.465 0.300 . 1 . . . . 22 VAL CB   . 11363 1 
      164 . 1 1 22 22 VAL CG1  C 13  22.079 0.300 . 2 . . . . 22 VAL CG1  . 11363 1 
      165 . 1 1 22 22 VAL CG2  C 13  21.997 0.300 . 2 . . . . 22 VAL CG2  . 11363 1 
      166 . 1 1 22 22 VAL N    N 15 121.489 0.300 . 1 . . . . 22 VAL N    . 11363 1 
      167 . 1 1 23 23 GLN H    H  1   8.892 0.030 . 1 . . . . 23 GLN H    . 11363 1 
      168 . 1 1 23 23 GLN HA   H  1   4.831 0.030 . 1 . . . . 23 GLN HA   . 11363 1 
      169 . 1 1 23 23 GLN HB2  H  1   2.186 0.030 . 2 . . . . 23 GLN HB2  . 11363 1 
      170 . 1 1 23 23 GLN HB3  H  1   2.150 0.030 . 2 . . . . 23 GLN HB3  . 11363 1 
      171 . 1 1 23 23 GLN HE21 H  1   6.860 0.030 . 2 . . . . 23 GLN HE21 . 11363 1 
      172 . 1 1 23 23 GLN HE22 H  1   7.504 0.030 . 2 . . . . 23 GLN HE22 . 11363 1 
      173 . 1 1 23 23 GLN HG2  H  1   2.630 0.030 . 1 . . . . 23 GLN HG2  . 11363 1 
      174 . 1 1 23 23 GLN HG3  H  1   2.630 0.030 . 1 . . . . 23 GLN HG3  . 11363 1 
      175 . 1 1 23 23 GLN C    C 13 179.682 0.300 . 1 . . . . 23 GLN C    . 11363 1 
      176 . 1 1 23 23 GLN CA   C 13  52.915 0.300 . 1 . . . . 23 GLN CA   . 11363 1 
      177 . 1 1 23 23 GLN CB   C 13  30.033 0.300 . 1 . . . . 23 GLN CB   . 11363 1 
      178 . 1 1 23 23 GLN CG   C 13  33.995 0.300 . 1 . . . . 23 GLN CG   . 11363 1 
      179 . 1 1 23 23 GLN N    N 15 129.808 0.300 . 1 . . . . 23 GLN N    . 11363 1 
      180 . 1 1 23 23 GLN NE2  N 15 113.851 0.300 . 1 . . . . 23 GLN NE2  . 11363 1 
      181 . 1 1 24 24 PRO HA   H  1   4.302 0.030 . 1 . . . . 24 PRO HA   . 11363 1 
      182 . 1 1 24 24 PRO HB2  H  1   2.160 0.030 . 2 . . . . 24 PRO HB2  . 11363 1 
      183 . 1 1 24 24 PRO HB3  H  1   1.631 0.030 . 2 . . . . 24 PRO HB3  . 11363 1 
      184 . 1 1 24 24 PRO HD2  H  1   3.750 0.030 . 2 . . . . 24 PRO HD2  . 11363 1 
      185 . 1 1 24 24 PRO HD3  H  1   3.668 0.030 . 2 . . . . 24 PRO HD3  . 11363 1 
      186 . 1 1 24 24 PRO HG2  H  1   2.039 0.030 . 2 . . . . 24 PRO HG2  . 11363 1 
      187 . 1 1 24 24 PRO HG3  H  1   1.912 0.030 . 2 . . . . 24 PRO HG3  . 11363 1 
      188 . 1 1 24 24 PRO C    C 13 176.549 0.300 . 1 . . . . 24 PRO C    . 11363 1 
      189 . 1 1 24 24 PRO CA   C 13  62.471 0.300 . 1 . . . . 24 PRO CA   . 11363 1 
      190 . 1 1 24 24 PRO CB   C 13  32.079 0.300 . 1 . . . . 24 PRO CB   . 11363 1 
      191 . 1 1 24 24 PRO CD   C 13  50.434 0.300 . 1 . . . . 24 PRO CD   . 11363 1 
      192 . 1 1 24 24 PRO CG   C 13  27.692 0.300 . 1 . . . . 24 PRO CG   . 11363 1 
      193 . 1 1 25 25 ALA H    H  1   8.851 0.030 . 1 . . . . 25 ALA H    . 11363 1 
      194 . 1 1 25 25 ALA HA   H  1   3.708 0.030 . 1 . . . . 25 ALA HA   . 11363 1 
      195 . 1 1 25 25 ALA HB1  H  1   1.090 0.030 . 1 . . . . 25 ALA HB   . 11363 1 
      196 . 1 1 25 25 ALA HB2  H  1   1.090 0.030 . 1 . . . . 25 ALA HB   . 11363 1 
      197 . 1 1 25 25 ALA HB3  H  1   1.090 0.030 . 1 . . . . 25 ALA HB   . 11363 1 
      198 . 1 1 25 25 ALA C    C 13 176.271 0.300 . 1 . . . . 25 ALA C    . 11363 1 
      199 . 1 1 25 25 ALA CA   C 13  52.115 0.300 . 1 . . . . 25 ALA CA   . 11363 1 
      200 . 1 1 25 25 ALA CB   C 13  19.030 0.300 . 1 . . . . 25 ALA CB   . 11363 1 
      201 . 1 1 25 25 ALA N    N 15 124.466 0.300 . 1 . . . . 25 ALA N    . 11363 1 
      202 . 1 1 26 26 ARG H    H  1   7.411 0.030 . 1 . . . . 26 ARG H    . 11363 1 
      203 . 1 1 26 26 ARG HA   H  1   4.105 0.030 . 1 . . . . 26 ARG HA   . 11363 1 
      204 . 1 1 26 26 ARG HB2  H  1   1.208 0.030 . 2 . . . . 26 ARG HB2  . 11363 1 
      205 . 1 1 26 26 ARG HB3  H  1   1.060 0.030 . 2 . . . . 26 ARG HB3  . 11363 1 
      206 . 1 1 26 26 ARG HD2  H  1   3.047 0.030 . 1 . . . . 26 ARG HD2  . 11363 1 
      207 . 1 1 26 26 ARG HD3  H  1   3.047 0.030 . 1 . . . . 26 ARG HD3  . 11363 1 
      208 . 1 1 26 26 ARG HG2  H  1   1.279 0.030 . 2 . . . . 26 ARG HG2  . 11363 1 
      209 . 1 1 26 26 ARG HG3  H  1   1.228 0.030 . 2 . . . . 26 ARG HG3  . 11363 1 
      210 . 1 1 26 26 ARG C    C 13 173.717 0.300 . 1 . . . . 26 ARG C    . 11363 1 
      211 . 1 1 26 26 ARG CA   C 13  56.120 0.300 . 1 . . . . 26 ARG CA   . 11363 1 
      212 . 1 1 26 26 ARG CB   C 13  32.410 0.300 . 1 . . . . 26 ARG CB   . 11363 1 
      213 . 1 1 26 26 ARG CD   C 13  43.306 0.300 . 1 . . . . 26 ARG CD   . 11363 1 
      214 . 1 1 26 26 ARG CG   C 13  27.366 0.300 . 1 . . . . 26 ARG CG   . 11363 1 
      215 . 1 1 26 26 ARG N    N 15 119.690 0.300 . 1 . . . . 26 ARG N    . 11363 1 
      216 . 1 1 27 27 TYR H    H  1   7.718 0.030 . 1 . . . . 27 TYR H    . 11363 1 
      217 . 1 1 27 27 TYR HA   H  1   4.708 0.030 . 1 . . . . 27 TYR HA   . 11363 1 
      218 . 1 1 27 27 TYR HB2  H  1   2.578 0.030 . 2 . . . . 27 TYR HB2  . 11363 1 
      219 . 1 1 27 27 TYR HB3  H  1   0.973 0.030 . 2 . . . . 27 TYR HB3  . 11363 1 
      220 . 1 1 27 27 TYR HD1  H  1   6.751 0.030 . 1 . . . . 27 TYR HD1  . 11363 1 
      221 . 1 1 27 27 TYR HD2  H  1   6.751 0.030 . 1 . . . . 27 TYR HD2  . 11363 1 
      222 . 1 1 27 27 TYR HE1  H  1   6.701 0.030 . 1 . . . . 27 TYR HE1  . 11363 1 
      223 . 1 1 27 27 TYR HE2  H  1   6.701 0.030 . 1 . . . . 27 TYR HE2  . 11363 1 
      224 . 1 1 27 27 TYR C    C 13 174.774 0.300 . 1 . . . . 27 TYR C    . 11363 1 
      225 . 1 1 27 27 TYR CA   C 13  55.261 0.300 . 1 . . . . 27 TYR CA   . 11363 1 
      226 . 1 1 27 27 TYR CB   C 13  41.068 0.300 . 1 . . . . 27 TYR CB   . 11363 1 
      227 . 1 1 27 27 TYR CD1  C 13 133.830 0.300 . 1 . . . . 27 TYR CD1  . 11363 1 
      228 . 1 1 27 27 TYR CD2  C 13 133.830 0.300 . 1 . . . . 27 TYR CD2  . 11363 1 
      229 . 1 1 27 27 TYR CE1  C 13 117.498 0.300 . 1 . . . . 27 TYR CE1  . 11363 1 
      230 . 1 1 27 27 TYR CE2  C 13 117.498 0.300 . 1 . . . . 27 TYR CE2  . 11363 1 
      231 . 1 1 27 27 TYR N    N 15 117.815 0.300 . 1 . . . . 27 TYR N    . 11363 1 
      232 . 1 1 28 28 THR H    H  1   8.289 0.030 . 1 . . . . 28 THR H    . 11363 1 
      233 . 1 1 28 28 THR HA   H  1   4.962 0.030 . 1 . . . . 28 THR HA   . 11363 1 
      234 . 1 1 28 28 THR HB   H  1   3.712 0.030 . 1 . . . . 28 THR HB   . 11363 1 
      235 . 1 1 28 28 THR HG21 H  1   0.942 0.030 . 1 . . . . 28 THR HG2  . 11363 1 
      236 . 1 1 28 28 THR HG22 H  1   0.942 0.030 . 1 . . . . 28 THR HG2  . 11363 1 
      237 . 1 1 28 28 THR HG23 H  1   0.942 0.030 . 1 . . . . 28 THR HG2  . 11363 1 
      238 . 1 1 28 28 THR C    C 13 174.691 0.300 . 1 . . . . 28 THR C    . 11363 1 
      239 . 1 1 28 28 THR CA   C 13  60.154 0.300 . 1 . . . . 28 THR CA   . 11363 1 
      240 . 1 1 28 28 THR CB   C 13  71.567 0.300 . 1 . . . . 28 THR CB   . 11363 1 
      241 . 1 1 28 28 THR CG2  C 13  22.079 0.300 . 1 . . . . 28 THR CG2  . 11363 1 
      242 . 1 1 28 28 THR N    N 15 111.618 0.300 . 1 . . . . 28 THR N    . 11363 1 
      243 . 1 1 29 29 CYS H    H  1   9.197 0.030 . 1 . . . . 29 CYS H    . 11363 1 
      244 . 1 1 29 29 CYS HA   H  1   4.854 0.030 . 1 . . . . 29 CYS HA   . 11363 1 
      245 . 1 1 29 29 CYS HB2  H  1   3.481 0.030 . 2 . . . . 29 CYS HB2  . 11363 1 
      246 . 1 1 29 29 CYS HB3  H  1   2.750 0.030 . 2 . . . . 29 CYS HB3  . 11363 1 
      247 . 1 1 29 29 CYS C    C 13 175.621 0.300 . 1 . . . . 29 CYS C    . 11363 1 
      248 . 1 1 29 29 CYS CA   C 13  57.329 0.300 . 1 . . . . 29 CYS CA   . 11363 1 
      249 . 1 1 29 29 CYS CB   C 13  30.778 0.300 . 1 . . . . 29 CYS CB   . 11363 1 
      250 . 1 1 29 29 CYS N    N 15 129.883 0.300 . 1 . . . . 29 CYS N    . 11363 1 
      251 . 1 1 30 30 PRO HA   H  1   4.537 0.030 . 1 . . . . 30 PRO HA   . 11363 1 
      252 . 1 1 30 30 PRO HB2  H  1   2.385 0.030 . 2 . . . . 30 PRO HB2  . 11363 1 
      253 . 1 1 30 30 PRO HB3  H  1   2.024 0.030 . 2 . . . . 30 PRO HB3  . 11363 1 
      254 . 1 1 30 30 PRO HD2  H  1   4.351 0.030 . 2 . . . . 30 PRO HD2  . 11363 1 
      255 . 1 1 30 30 PRO HD3  H  1   4.162 0.030 . 2 . . . . 30 PRO HD3  . 11363 1 
      256 . 1 1 30 30 PRO HG2  H  1   2.160 0.030 . 2 . . . . 30 PRO HG2  . 11363 1 
      257 . 1 1 30 30 PRO HG3  H  1   2.029 0.030 . 2 . . . . 30 PRO HG3  . 11363 1 
      258 . 1 1 30 30 PRO C    C 13 176.918 0.300 . 1 . . . . 30 PRO C    . 11363 1 
      259 . 1 1 30 30 PRO CA   C 13  64.408 0.300 . 1 . . . . 30 PRO CA   . 11363 1 
      260 . 1 1 30 30 PRO CB   C 13  32.296 0.300 . 1 . . . . 30 PRO CB   . 11363 1 
      261 . 1 1 30 30 PRO CD   C 13  51.500 0.300 . 1 . . . . 30 PRO CD   . 11363 1 
      262 . 1 1 30 30 PRO CG   C 13  27.252 0.300 . 1 . . . . 30 PRO CG   . 11363 1 
      263 . 1 1 31 31 ARG H    H  1   8.914 0.030 . 1 . . . . 31 ARG H    . 11363 1 
      264 . 1 1 31 31 ARG HA   H  1   4.421 0.030 . 1 . . . . 31 ARG HA   . 11363 1 
      265 . 1 1 31 31 ARG HB2  H  1   1.949 0.030 . 2 . . . . 31 ARG HB2  . 11363 1 
      266 . 1 1 31 31 ARG HB3  H  1   1.830 0.030 . 2 . . . . 31 ARG HB3  . 11363 1 
      267 . 1 1 31 31 ARG HD2  H  1   3.148 0.030 . 1 . . . . 31 ARG HD2  . 11363 1 
      268 . 1 1 31 31 ARG HD3  H  1   3.148 0.030 . 1 . . . . 31 ARG HD3  . 11363 1 
      269 . 1 1 31 31 ARG HG2  H  1   1.602 0.030 . 2 . . . . 31 ARG HG2  . 11363 1 
      270 . 1 1 31 31 ARG HG3  H  1   1.519 0.030 . 2 . . . . 31 ARG HG3  . 11363 1 
      271 . 1 1 31 31 ARG C    C 13 176.820 0.300 . 1 . . . . 31 ARG C    . 11363 1 
      272 . 1 1 31 31 ARG CA   C 13  57.940 0.300 . 1 . . . . 31 ARG CA   . 11363 1 
      273 . 1 1 31 31 ARG CB   C 13  31.535 0.300 . 1 . . . . 31 ARG CB   . 11363 1 
      274 . 1 1 31 31 ARG CD   C 13  43.074 0.300 . 1 . . . . 31 ARG CD   . 11363 1 
      275 . 1 1 31 31 ARG CG   C 13  27.629 0.300 . 1 . . . . 31 ARG CG   . 11363 1 
      276 . 1 1 31 31 ARG N    N 15 120.907 0.300 . 1 . . . . 31 ARG N    . 11363 1 
      277 . 1 1 32 32 CYS H    H  1   8.059 0.030 . 1 . . . . 32 CYS H    . 11363 1 
      278 . 1 1 32 32 CYS HA   H  1   5.041 0.030 . 1 . . . . 32 CYS HA   . 11363 1 
      279 . 1 1 32 32 CYS HB2  H  1   3.397 0.030 . 2 . . . . 32 CYS HB2  . 11363 1 
      280 . 1 1 32 32 CYS HB3  H  1   2.772 0.030 . 2 . . . . 32 CYS HB3  . 11363 1 
      281 . 1 1 32 32 CYS C    C 13 176.308 0.300 . 1 . . . . 32 CYS C    . 11363 1 
      282 . 1 1 32 32 CYS CA   C 13  58.638 0.300 . 1 . . . . 32 CYS CA   . 11363 1 
      283 . 1 1 32 32 CYS CB   C 13  32.414 0.300 . 1 . . . . 32 CYS CB   . 11363 1 
      284 . 1 1 32 32 CYS N    N 15 116.818 0.300 . 1 . . . . 32 CYS N    . 11363 1 
      285 . 1 1 33 33 ASN H    H  1   8.210 0.030 . 1 . . . . 33 ASN H    . 11363 1 
      286 . 1 1 33 33 ASN HA   H  1   4.619 0.030 . 1 . . . . 33 ASN HA   . 11363 1 
      287 . 1 1 33 33 ASN HB2  H  1   3.113 0.030 . 2 . . . . 33 ASN HB2  . 11363 1 
      288 . 1 1 33 33 ASN HB3  H  1   3.041 0.030 . 2 . . . . 33 ASN HB3  . 11363 1 
      289 . 1 1 33 33 ASN HD21 H  1   7.459 0.030 . 2 . . . . 33 ASN HD21 . 11363 1 
      290 . 1 1 33 33 ASN HD22 H  1   6.784 0.030 . 2 . . . . 33 ASN HD22 . 11363 1 
      291 . 1 1 33 33 ASN C    C 13 173.787 0.300 . 1 . . . . 33 ASN C    . 11363 1 
      292 . 1 1 33 33 ASN CA   C 13  55.546 0.300 . 1 . . . . 33 ASN CA   . 11363 1 
      293 . 1 1 33 33 ASN CB   C 13  38.281 0.300 . 1 . . . . 33 ASN CB   . 11363 1 
      294 . 1 1 33 33 ASN N    N 15 118.673 0.300 . 1 . . . . 33 ASN N    . 11363 1 
      295 . 1 1 33 33 ASN ND2  N 15 112.400 0.300 . 1 . . . . 33 ASN ND2  . 11363 1 
      296 . 1 1 34 34 ALA H    H  1   8.769 0.030 . 1 . . . . 34 ALA H    . 11363 1 
      297 . 1 1 34 34 ALA HA   H  1   4.744 0.030 . 1 . . . . 34 ALA HA   . 11363 1 
      298 . 1 1 34 34 ALA HB1  H  1   1.571 0.030 . 1 . . . . 34 ALA HB   . 11363 1 
      299 . 1 1 34 34 ALA HB2  H  1   1.571 0.030 . 1 . . . . 34 ALA HB   . 11363 1 
      300 . 1 1 34 34 ALA HB3  H  1   1.571 0.030 . 1 . . . . 34 ALA HB   . 11363 1 
      301 . 1 1 34 34 ALA C    C 13 175.943 0.300 . 1 . . . . 34 ALA C    . 11363 1 
      302 . 1 1 34 34 ALA CA   C 13  51.806 0.300 . 1 . . . . 34 ALA CA   . 11363 1 
      303 . 1 1 34 34 ALA CB   C 13  20.109 0.300 . 1 . . . . 34 ALA CB   . 11363 1 
      304 . 1 1 34 34 ALA N    N 15 125.749 0.300 . 1 . . . . 34 ALA N    . 11363 1 
      305 . 1 1 35 35 PRO HA   H  1   5.434 0.030 . 1 . . . . 35 PRO HA   . 11363 1 
      306 . 1 1 35 35 PRO HB2  H  1   2.151 0.030 . 2 . . . . 35 PRO HB2  . 11363 1 
      307 . 1 1 35 35 PRO HB3  H  1   1.790 0.030 . 2 . . . . 35 PRO HB3  . 11363 1 
      308 . 1 1 35 35 PRO HD2  H  1   4.231 0.030 . 2 . . . . 35 PRO HD2  . 11363 1 
      309 . 1 1 35 35 PRO HD3  H  1   3.725 0.030 . 2 . . . . 35 PRO HD3  . 11363 1 
      310 . 1 1 35 35 PRO HG2  H  1   2.192 0.030 . 2 . . . . 35 PRO HG2  . 11363 1 
      311 . 1 1 35 35 PRO HG3  H  1   2.002 0.030 . 2 . . . . 35 PRO HG3  . 11363 1 
      312 . 1 1 35 35 PRO C    C 13 177.022 0.300 . 1 . . . . 35 PRO C    . 11363 1 
      313 . 1 1 35 35 PRO CA   C 13  61.309 0.300 . 1 . . . . 35 PRO CA   . 11363 1 
      314 . 1 1 35 35 PRO CB   C 13  32.732 0.300 . 1 . . . . 35 PRO CB   . 11363 1 
      315 . 1 1 35 35 PRO CD   C 13  51.241 0.300 . 1 . . . . 35 PRO CD   . 11363 1 
      316 . 1 1 35 35 PRO CG   C 13  27.812 0.300 . 1 . . . . 35 PRO CG   . 11363 1 
      317 . 1 1 36 36 TYR H    H  1   8.721 0.030 . 1 . . . . 36 TYR H    . 11363 1 
      318 . 1 1 36 36 TYR HA   H  1   6.460 0.030 . 1 . . . . 36 TYR HA   . 11363 1 
      319 . 1 1 36 36 TYR HB2  H  1   3.079 0.030 . 2 . . . . 36 TYR HB2  . 11363 1 
      320 . 1 1 36 36 TYR HB3  H  1   2.930 0.030 . 2 . . . . 36 TYR HB3  . 11363 1 
      321 . 1 1 36 36 TYR HD1  H  1   7.159 0.030 . 1 . . . . 36 TYR HD1  . 11363 1 
      322 . 1 1 36 36 TYR HD2  H  1   7.159 0.030 . 1 . . . . 36 TYR HD2  . 11363 1 
      323 . 1 1 36 36 TYR HE1  H  1   6.106 0.030 . 1 . . . . 36 TYR HE1  . 11363 1 
      324 . 1 1 36 36 TYR HE2  H  1   6.106 0.030 . 1 . . . . 36 TYR HE2  . 11363 1 
      325 . 1 1 36 36 TYR C    C 13 176.360 0.300 . 1 . . . . 36 TYR C    . 11363 1 
      326 . 1 1 36 36 TYR CA   C 13  56.659 0.300 . 1 . . . . 36 TYR CA   . 11363 1 
      327 . 1 1 36 36 TYR CB   C 13  41.375 0.300 . 1 . . . . 36 TYR CB   . 11363 1 
      328 . 1 1 36 36 TYR CD1  C 13 134.016 0.300 . 1 . . . . 36 TYR CD1  . 11363 1 
      329 . 1 1 36 36 TYR CD2  C 13 134.016 0.300 . 1 . . . . 36 TYR CD2  . 11363 1 
      330 . 1 1 36 36 TYR CE1  C 13 118.063 0.300 . 1 . . . . 36 TYR CE1  . 11363 1 
      331 . 1 1 36 36 TYR CE2  C 13 118.063 0.300 . 1 . . . . 36 TYR CE2  . 11363 1 
      332 . 1 1 36 36 TYR N    N 15 116.978 0.300 . 1 . . . . 36 TYR N    . 11363 1 
      333 . 1 1 37 37 CYS H    H  1   9.188 0.030 . 1 . . . . 37 CYS H    . 11363 1 
      334 . 1 1 37 37 CYS HA   H  1   4.869 0.030 . 1 . . . . 37 CYS HA   . 11363 1 
      335 . 1 1 37 37 CYS HB2  H  1   3.080 0.030 . 2 . . . . 37 CYS HB2  . 11363 1 
      336 . 1 1 37 37 CYS HB3  H  1   2.720 0.030 . 2 . . . . 37 CYS HB3  . 11363 1 
      337 . 1 1 37 37 CYS C    C 13 176.114 0.300 . 1 . . . . 37 CYS C    . 11363 1 
      338 . 1 1 37 37 CYS CA   C 13  60.031 0.300 . 1 . . . . 37 CYS CA   . 11363 1 
      339 . 1 1 37 37 CYS CB   C 13  34.424 0.300 . 1 . . . . 37 CYS CB   . 11363 1 
      340 . 1 1 37 37 CYS N    N 15 119.128 0.300 . 1 . . . . 37 CYS N    . 11363 1 
      341 . 1 1 38 38 SER H    H  1   7.553 0.030 . 1 . . . . 38 SER H    . 11363 1 
      342 . 1 1 38 38 SER HA   H  1   5.028 0.030 . 1 . . . . 38 SER HA   . 11363 1 
      343 . 1 1 38 38 SER HB2  H  1   4.351 0.030 . 2 . . . . 38 SER HB2  . 11363 1 
      344 . 1 1 38 38 SER HB3  H  1   4.219 0.030 . 2 . . . . 38 SER HB3  . 11363 1 
      345 . 1 1 38 38 SER C    C 13 173.960 0.300 . 1 . . . . 38 SER C    . 11363 1 
      346 . 1 1 38 38 SER CA   C 13  57.856 0.300 . 1 . . . . 38 SER CA   . 11363 1 
      347 . 1 1 38 38 SER CB   C 13  65.263 0.300 . 1 . . . . 38 SER CB   . 11363 1 
      348 . 1 1 38 38 SER N    N 15 115.493 0.300 . 1 . . . . 38 SER N    . 11363 1 
      349 . 1 1 39 39 LEU HA   H  1   4.121 0.030 . 1 . . . . 39 LEU HA   . 11363 1 
      350 . 1 1 39 39 LEU HB2  H  1   1.679 0.030 . 1 . . . . 39 LEU HB2  . 11363 1 
      351 . 1 1 39 39 LEU HB3  H  1   1.679 0.030 . 1 . . . . 39 LEU HB3  . 11363 1 
      352 . 1 1 39 39 LEU HD11 H  1   0.840 0.030 . 1 . . . . 39 LEU HD1  . 11363 1 
      353 . 1 1 39 39 LEU HD12 H  1   0.840 0.030 . 1 . . . . 39 LEU HD1  . 11363 1 
      354 . 1 1 39 39 LEU HD13 H  1   0.840 0.030 . 1 . . . . 39 LEU HD1  . 11363 1 
      355 . 1 1 39 39 LEU HD21 H  1   0.810 0.030 . 1 . . . . 39 LEU HD2  . 11363 1 
      356 . 1 1 39 39 LEU HD22 H  1   0.810 0.030 . 1 . . . . 39 LEU HD2  . 11363 1 
      357 . 1 1 39 39 LEU HD23 H  1   0.810 0.030 . 1 . . . . 39 LEU HD2  . 11363 1 
      358 . 1 1 39 39 LEU HG   H  1   1.598 0.030 . 1 . . . . 39 LEU HG   . 11363 1 
      359 . 1 1 39 39 LEU C    C 13 178.253 0.300 . 1 . . . . 39 LEU C    . 11363 1 
      360 . 1 1 39 39 LEU CA   C 13  58.006 0.300 . 1 . . . . 39 LEU CA   . 11363 1 
      361 . 1 1 39 39 LEU CB   C 13  41.213 0.300 . 1 . . . . 39 LEU CB   . 11363 1 
      362 . 1 1 39 39 LEU CD1  C 13  23.754 0.300 . 2 . . . . 39 LEU CD1  . 11363 1 
      363 . 1 1 39 39 LEU CD2  C 13  24.214 0.300 . 2 . . . . 39 LEU CD2  . 11363 1 
      364 . 1 1 39 39 LEU CG   C 13  27.110 0.300 . 1 . . . . 39 LEU CG   . 11363 1 
      365 . 1 1 40 40 ARG H    H  1   8.315 0.030 . 1 . . . . 40 ARG H    . 11363 1 
      366 . 1 1 40 40 ARG HA   H  1   4.001 0.030 . 1 . . . . 40 ARG HA   . 11363 1 
      367 . 1 1 40 40 ARG HB2  H  1   1.970 0.030 . 1 . . . . 40 ARG HB2  . 11363 1 
      368 . 1 1 40 40 ARG HB3  H  1   1.970 0.030 . 1 . . . . 40 ARG HB3  . 11363 1 
      369 . 1 1 40 40 ARG HD2  H  1   3.237 0.030 . 2 . . . . 40 ARG HD2  . 11363 1 
      370 . 1 1 40 40 ARG HD3  H  1   3.207 0.030 . 2 . . . . 40 ARG HD3  . 11363 1 
      371 . 1 1 40 40 ARG HG2  H  1   1.839 0.030 . 2 . . . . 40 ARG HG2  . 11363 1 
      372 . 1 1 40 40 ARG HG3  H  1   1.592 0.030 . 2 . . . . 40 ARG HG3  . 11363 1 
      373 . 1 1 40 40 ARG C    C 13 179.108 0.300 . 1 . . . . 40 ARG C    . 11363 1 
      374 . 1 1 40 40 ARG CA   C 13  59.951 0.300 . 1 . . . . 40 ARG CA   . 11363 1 
      375 . 1 1 40 40 ARG CB   C 13  29.300 0.300 . 1 . . . . 40 ARG CB   . 11363 1 
      376 . 1 1 40 40 ARG CD   C 13  43.312 0.300 . 1 . . . . 40 ARG CD   . 11363 1 
      377 . 1 1 40 40 ARG CG   C 13  26.380 0.300 . 1 . . . . 40 ARG CG   . 11363 1 
      378 . 1 1 40 40 ARG N    N 15 118.997 0.300 . 1 . . . . 40 ARG N    . 11363 1 
      379 . 1 1 41 41 CYS H    H  1   7.489 0.030 . 1 . . . . 41 CYS H    . 11363 1 
      380 . 1 1 41 41 CYS HA   H  1   4.284 0.030 . 1 . . . . 41 CYS HA   . 11363 1 
      381 . 1 1 41 41 CYS HB2  H  1   3.171 0.030 . 1 . . . . 41 CYS HB2  . 11363 1 
      382 . 1 1 41 41 CYS HB3  H  1   3.171 0.030 . 1 . . . . 41 CYS HB3  . 11363 1 
      383 . 1 1 41 41 CYS C    C 13 177.488 0.300 . 1 . . . . 41 CYS C    . 11363 1 
      384 . 1 1 41 41 CYS CA   C 13  64.476 0.300 . 1 . . . . 41 CYS CA   . 11363 1 
      385 . 1 1 41 41 CYS CB   C 13  32.024 0.300 . 1 . . . . 41 CYS CB   . 11363 1 
      386 . 1 1 41 41 CYS N    N 15 119.762 0.300 . 1 . . . . 41 CYS N    . 11363 1 
      387 . 1 1 42 42 TYR H    H  1   8.520 0.030 . 1 . . . . 42 TYR H    . 11363 1 
      388 . 1 1 42 42 TYR HA   H  1   3.210 0.030 . 1 . . . . 42 TYR HA   . 11363 1 
      389 . 1 1 42 42 TYR HB2  H  1   2.899 0.030 . 2 . . . . 42 TYR HB2  . 11363 1 
      390 . 1 1 42 42 TYR HB3  H  1   2.509 0.030 . 2 . . . . 42 TYR HB3  . 11363 1 
      391 . 1 1 42 42 TYR HD1  H  1   6.188 0.030 . 1 . . . . 42 TYR HD1  . 11363 1 
      392 . 1 1 42 42 TYR HD2  H  1   6.188 0.030 . 1 . . . . 42 TYR HD2  . 11363 1 
      393 . 1 1 42 42 TYR HE1  H  1   6.745 0.030 . 1 . . . . 42 TYR HE1  . 11363 1 
      394 . 1 1 42 42 TYR HE2  H  1   6.745 0.030 . 1 . . . . 42 TYR HE2  . 11363 1 
      395 . 1 1 42 42 TYR C    C 13 179.175 0.300 . 1 . . . . 42 TYR C    . 11363 1 
      396 . 1 1 42 42 TYR CA   C 13  61.115 0.300 . 1 . . . . 42 TYR CA   . 11363 1 
      397 . 1 1 42 42 TYR CB   C 13  37.987 0.300 . 1 . . . . 42 TYR CB   . 11363 1 
      398 . 1 1 42 42 TYR CD1  C 13 132.501 0.300 . 1 . . . . 42 TYR CD1  . 11363 1 
      399 . 1 1 42 42 TYR CD2  C 13 132.501 0.300 . 1 . . . . 42 TYR CD2  . 11363 1 
      400 . 1 1 42 42 TYR CE1  C 13 118.149 0.300 . 1 . . . . 42 TYR CE1  . 11363 1 
      401 . 1 1 42 42 TYR CE2  C 13 118.149 0.300 . 1 . . . . 42 TYR CE2  . 11363 1 
      402 . 1 1 42 42 TYR N    N 15 121.863 0.300 . 1 . . . . 42 TYR N    . 11363 1 
      403 . 1 1 43 43 ARG H    H  1   8.172 0.030 . 1 . . . . 43 ARG H    . 11363 1 
      404 . 1 1 43 43 ARG HA   H  1   3.818 0.030 . 1 . . . . 43 ARG HA   . 11363 1 
      405 . 1 1 43 43 ARG HB2  H  1   1.950 0.030 . 2 . . . . 43 ARG HB2  . 11363 1 
      406 . 1 1 43 43 ARG HB3  H  1   1.891 0.030 . 2 . . . . 43 ARG HB3  . 11363 1 
      407 . 1 1 43 43 ARG HD2  H  1   3.140 0.030 . 1 . . . . 43 ARG HD2  . 11363 1 
      408 . 1 1 43 43 ARG HD3  H  1   3.140 0.030 . 1 . . . . 43 ARG HD3  . 11363 1 
      409 . 1 1 43 43 ARG HG2  H  1   1.848 0.030 . 2 . . . . 43 ARG HG2  . 11363 1 
      410 . 1 1 43 43 ARG HG3  H  1   1.630 0.030 . 2 . . . . 43 ARG HG3  . 11363 1 
      411 . 1 1 43 43 ARG C    C 13 177.844 0.300 . 1 . . . . 43 ARG C    . 11363 1 
      412 . 1 1 43 43 ARG CA   C 13  59.101 0.300 . 1 . . . . 43 ARG CA   . 11363 1 
      413 . 1 1 43 43 ARG CB   C 13  29.902 0.300 . 1 . . . . 43 ARG CB   . 11363 1 
      414 . 1 1 43 43 ARG CD   C 13  43.475 0.300 . 1 . . . . 43 ARG CD   . 11363 1 
      415 . 1 1 43 43 ARG CG   C 13  28.055 0.300 . 1 . . . . 43 ARG CG   . 11363 1 
      416 . 1 1 43 43 ARG N    N 15 117.788 0.300 . 1 . . . . 43 ARG N    . 11363 1 
      417 . 1 1 44 44 THR H    H  1   7.472 0.030 . 1 . . . . 44 THR H    . 11363 1 
      418 . 1 1 44 44 THR HA   H  1   4.162 0.030 . 1 . . . . 44 THR HA   . 11363 1 
      419 . 1 1 44 44 THR HB   H  1   4.386 0.030 . 1 . . . . 44 THR HB   . 11363 1 
      420 . 1 1 44 44 THR HG21 H  1   1.304 0.030 . 1 . . . . 44 THR HG2  . 11363 1 
      421 . 1 1 44 44 THR HG22 H  1   1.304 0.030 . 1 . . . . 44 THR HG2  . 11363 1 
      422 . 1 1 44 44 THR HG23 H  1   1.304 0.030 . 1 . . . . 44 THR HG2  . 11363 1 
      423 . 1 1 44 44 THR C    C 13 175.991 0.300 . 1 . . . . 44 THR C    . 11363 1 
      424 . 1 1 44 44 THR CA   C 13  63.188 0.300 . 1 . . . . 44 THR CA   . 11363 1 
      425 . 1 1 44 44 THR CB   C 13  69.100 0.300 . 1 . . . . 44 THR CB   . 11363 1 
      426 . 1 1 44 44 THR CG2  C 13  21.928 0.300 . 1 . . . . 44 THR CG2  . 11363 1 
      427 . 1 1 44 44 THR N    N 15 110.736 0.300 . 1 . . . . 44 THR N    . 11363 1 
      428 . 1 1 45 45 HIS H    H  1   7.380 0.030 . 1 . . . . 45 HIS H    . 11363 1 
      429 . 1 1 45 45 HIS HA   H  1   3.833 0.030 . 1 . . . . 45 HIS HA   . 11363 1 
      430 . 1 1 45 45 HIS HB2  H  1   2.253 0.030 . 2 . . . . 45 HIS HB2  . 11363 1 
      431 . 1 1 45 45 HIS HB3  H  1   1.610 0.030 . 2 . . . . 45 HIS HB3  . 11363 1 
      432 . 1 1 45 45 HIS HD2  H  1   6.523 0.030 . 1 . . . . 45 HIS HD2  . 11363 1 
      433 . 1 1 45 45 HIS HE1  H  1   7.373 0.030 . 1 . . . . 45 HIS HE1  . 11363 1 
      434 . 1 1 45 45 HIS C    C 13 174.228 0.300 . 1 . . . . 45 HIS C    . 11363 1 
      435 . 1 1 45 45 HIS CA   C 13  57.330 0.300 . 1 . . . . 45 HIS CA   . 11363 1 
      436 . 1 1 45 45 HIS CB   C 13  25.786 0.300 . 1 . . . . 45 HIS CB   . 11363 1 
      437 . 1 1 45 45 HIS CD2  C 13 127.363 0.300 . 1 . . . . 45 HIS CD2  . 11363 1 
      438 . 1 1 45 45 HIS CE1  C 13 139.325 0.300 . 1 . . . . 45 HIS CE1  . 11363 1 
      439 . 1 1 45 45 HIS N    N 15 121.036 0.300 . 1 . . . . 45 HIS N    . 11363 1 
      440 . 1 1 46 46 GLY H    H  1   7.066 0.030 . 1 . . . . 46 GLY H    . 11363 1 
      441 . 1 1 46 46 GLY HA2  H  1   3.770 0.030 . 2 . . . . 46 GLY HA2  . 11363 1 
      442 . 1 1 46 46 GLY HA3  H  1   3.661 0.030 . 2 . . . . 46 GLY HA3  . 11363 1 
      443 . 1 1 46 46 GLY C    C 13 173.700 0.300 . 1 . . . . 46 GLY C    . 11363 1 
      444 . 1 1 46 46 GLY CA   C 13  45.126 0.300 . 1 . . . . 46 GLY CA   . 11363 1 
      445 . 1 1 46 46 GLY N    N 15 106.272 0.300 . 1 . . . . 46 GLY N    . 11363 1 
      446 . 1 1 47 47 THR H    H  1   8.206 0.030 . 1 . . . . 47 THR H    . 11363 1 
      447 . 1 1 47 47 THR HA   H  1   4.061 0.030 . 1 . . . . 47 THR HA   . 11363 1 
      448 . 1 1 47 47 THR HB   H  1   4.218 0.030 . 1 . . . . 47 THR HB   . 11363 1 
      449 . 1 1 47 47 THR HG21 H  1   1.139 0.030 . 1 . . . . 47 THR HG2  . 11363 1 
      450 . 1 1 47 47 THR HG22 H  1   1.139 0.030 . 1 . . . . 47 THR HG2  . 11363 1 
      451 . 1 1 47 47 THR HG23 H  1   1.139 0.030 . 1 . . . . 47 THR HG2  . 11363 1 
      452 . 1 1 47 47 THR C    C 13 174.491 0.300 . 1 . . . . 47 THR C    . 11363 1 
      453 . 1 1 47 47 THR CA   C 13  62.341 0.300 . 1 . . . . 47 THR CA   . 11363 1 
      454 . 1 1 47 47 THR CB   C 13  68.698 0.300 . 1 . . . . 47 THR CB   . 11363 1 
      455 . 1 1 47 47 THR CG2  C 13  21.667 0.300 . 1 . . . . 47 THR CG2  . 11363 1 
      456 . 1 1 47 47 THR N    N 15 114.181 0.300 . 1 . . . . 47 THR N    . 11363 1 
      457 . 1 1 48 48 CYS H    H  1   7.500 0.030 . 1 . . . . 48 CYS H    . 11363 1 
      458 . 1 1 48 48 CYS HA   H  1   4.044 0.030 . 1 . . . . 48 CYS HA   . 11363 1 
      459 . 1 1 48 48 CYS HB2  H  1   2.580 0.030 . 1 . . . . 48 CYS HB2  . 11363 1 
      460 . 1 1 48 48 CYS HB3  H  1   2.580 0.030 . 1 . . . . 48 CYS HB3  . 11363 1 
      461 . 1 1 48 48 CYS C    C 13 175.422 0.300 . 1 . . . . 48 CYS C    . 11363 1 
      462 . 1 1 48 48 CYS CA   C 13  59.649 0.300 . 1 . . . . 48 CYS CA   . 11363 1 
      463 . 1 1 48 48 CYS CB   C 13  30.659 0.300 . 1 . . . . 48 CYS CB   . 11363 1 
      464 . 1 1 48 48 CYS N    N 15 123.451 0.300 . 1 . . . . 48 CYS N    . 11363 1 
      465 . 1 1 49 49 ALA H    H  1   7.936 0.030 . 1 . . . . 49 ALA H    . 11363 1 
      466 . 1 1 49 49 ALA HA   H  1   4.200 0.030 . 1 . . . . 49 ALA HA   . 11363 1 
      467 . 1 1 49 49 ALA HB1  H  1   1.227 0.030 . 1 . . . . 49 ALA HB   . 11363 1 
      468 . 1 1 49 49 ALA HB2  H  1   1.227 0.030 . 1 . . . . 49 ALA HB   . 11363 1 
      469 . 1 1 49 49 ALA HB3  H  1   1.227 0.030 . 1 . . . . 49 ALA HB   . 11363 1 
      470 . 1 1 49 49 ALA C    C 13 177.739 0.300 . 1 . . . . 49 ALA C    . 11363 1 
      471 . 1 1 49 49 ALA CA   C 13  52.600 0.300 . 1 . . . . 49 ALA CA   . 11363 1 
      472 . 1 1 49 49 ALA CB   C 13  19.592 0.300 . 1 . . . . 49 ALA CB   . 11363 1 
      473 . 1 1 49 49 ALA N    N 15 121.875 0.300 . 1 . . . . 49 ALA N    . 11363 1 
      474 . 1 1 50 50 GLU H    H  1   8.182 0.030 . 1 . . . . 50 GLU H    . 11363 1 
      475 . 1 1 50 50 GLU HA   H  1   4.110 0.030 . 1 . . . . 50 GLU HA   . 11363 1 
      476 . 1 1 50 50 GLU HB2  H  1   1.946 0.030 . 2 . . . . 50 GLU HB2  . 11363 1 
      477 . 1 1 50 50 GLU HB3  H  1   1.891 0.030 . 2 . . . . 50 GLU HB3  . 11363 1 
      478 . 1 1 50 50 GLU HG2  H  1   2.210 0.030 . 1 . . . . 50 GLU HG2  . 11363 1 
      479 . 1 1 50 50 GLU HG3  H  1   2.210 0.030 . 1 . . . . 50 GLU HG3  . 11363 1 
      480 . 1 1 50 50 GLU C    C 13 176.479 0.300 . 1 . . . . 50 GLU C    . 11363 1 
      481 . 1 1 50 50 GLU CA   C 13  57.323 0.300 . 1 . . . . 50 GLU CA   . 11363 1 
      482 . 1 1 50 50 GLU CB   C 13  29.933 0.300 . 1 . . . . 50 GLU CB   . 11363 1 
      483 . 1 1 50 50 GLU CG   C 13  36.352 0.300 . 1 . . . . 50 GLU CG   . 11363 1 
      484 . 1 1 50 50 GLU N    N 15 119.164 0.300 . 1 . . . . 50 GLU N    . 11363 1 
      485 . 1 1 51 51 ASN H    H  1   8.222 0.030 . 1 . . . . 51 ASN H    . 11363 1 
      486 . 1 1 51 51 ASN HA   H  1   4.603 0.030 . 1 . . . . 51 ASN HA   . 11363 1 
      487 . 1 1 51 51 ASN HB2  H  1   2.680 0.030 . 2 . . . . 51 ASN HB2  . 11363 1 
      488 . 1 1 51 51 ASN HB3  H  1   2.643 0.030 . 2 . . . . 51 ASN HB3  . 11363 1 
      489 . 1 1 51 51 ASN HD21 H  1   7.449 0.030 . 2 . . . . 51 ASN HD21 . 11363 1 
      490 . 1 1 51 51 ASN HD22 H  1   6.771 0.030 . 2 . . . . 51 ASN HD22 . 11363 1 
      491 . 1 1 51 51 ASN C    C 13 174.783 0.300 . 1 . . . . 51 ASN C    . 11363 1 
      492 . 1 1 51 51 ASN CA   C 13  53.531 0.300 . 1 . . . . 51 ASN CA   . 11363 1 
      493 . 1 1 51 51 ASN CB   C 13  38.777 0.300 . 1 . . . . 51 ASN CB   . 11363 1 
      494 . 1 1 51 51 ASN N    N 15 117.850 0.300 . 1 . . . . 51 ASN N    . 11363 1 
      495 . 1 1 51 51 ASN ND2  N 15 112.472 0.300 . 1 . . . . 51 ASN ND2  . 11363 1 
      496 . 1 1 52 52 PHE H    H  1   8.000 0.030 . 1 . . . . 52 PHE H    . 11363 1 
      497 . 1 1 52 52 PHE HA   H  1   4.521 0.030 . 1 . . . . 52 PHE HA   . 11363 1 
      498 . 1 1 52 52 PHE HB2  H  1   3.038 0.030 . 1 . . . . 52 PHE HB2  . 11363 1 
      499 . 1 1 52 52 PHE HB3  H  1   3.038 0.030 . 1 . . . . 52 PHE HB3  . 11363 1 
      500 . 1 1 52 52 PHE HD1  H  1   7.142 0.030 . 1 . . . . 52 PHE HD1  . 11363 1 
      501 . 1 1 52 52 PHE HD2  H  1   7.142 0.030 . 1 . . . . 52 PHE HD2  . 11363 1 
      502 . 1 1 52 52 PHE HE1  H  1   7.297 0.030 . 1 . . . . 52 PHE HE1  . 11363 1 
      503 . 1 1 52 52 PHE HE2  H  1   7.297 0.030 . 1 . . . . 52 PHE HE2  . 11363 1 
      504 . 1 1 52 52 PHE C    C 13 175.276 0.300 . 1 . . . . 52 PHE C    . 11363 1 
      505 . 1 1 52 52 PHE CA   C 13  58.262 0.300 . 1 . . . . 52 PHE CA   . 11363 1 
      506 . 1 1 52 52 PHE CB   C 13  39.483 0.300 . 1 . . . . 52 PHE CB   . 11363 1 
      507 . 1 1 52 52 PHE CD1  C 13 131.786 0.300 . 1 . . . . 52 PHE CD1  . 11363 1 
      508 . 1 1 52 52 PHE CD2  C 13 131.786 0.300 . 1 . . . . 52 PHE CD2  . 11363 1 
      509 . 1 1 52 52 PHE CE1  C 13 131.643 0.300 . 1 . . . . 52 PHE CE1  . 11363 1 
      510 . 1 1 52 52 PHE CE2  C 13 131.643 0.300 . 1 . . . . 52 PHE CE2  . 11363 1 
      511 . 1 1 52 52 PHE N    N 15 120.004 0.300 . 1 . . . . 52 PHE N    . 11363 1 
      512 . 1 1 53 53 TYR H    H  1   8.040 0.030 . 1 . . . . 53 TYR H    . 11363 1 
      513 . 1 1 53 53 TYR HA   H  1   4.440 0.030 . 1 . . . . 53 TYR HA   . 11363 1 
      514 . 1 1 53 53 TYR HB2  H  1   2.924 0.030 . 2 . . . . 53 TYR HB2  . 11363 1 
      515 . 1 1 53 53 TYR HB3  H  1   2.829 0.030 . 2 . . . . 53 TYR HB3  . 11363 1 
      516 . 1 1 53 53 TYR HD1  H  1   7.065 0.030 . 1 . . . . 53 TYR HD1  . 11363 1 
      517 . 1 1 53 53 TYR HD2  H  1   7.065 0.030 . 1 . . . . 53 TYR HD2  . 11363 1 
      518 . 1 1 53 53 TYR HE1  H  1   6.753 0.030 . 1 . . . . 53 TYR HE1  . 11363 1 
      519 . 1 1 53 53 TYR HE2  H  1   6.753 0.030 . 1 . . . . 53 TYR HE2  . 11363 1 
      520 . 1 1 53 53 TYR C    C 13 175.361 0.300 . 1 . . . . 53 TYR C    . 11363 1 
      521 . 1 1 53 53 TYR CA   C 13  58.161 0.300 . 1 . . . . 53 TYR CA   . 11363 1 
      522 . 1 1 53 53 TYR CB   C 13  38.802 0.300 . 1 . . . . 53 TYR CB   . 11363 1 
      523 . 1 1 53 53 TYR CD1  C 13 133.390 0.300 . 1 . . . . 53 TYR CD1  . 11363 1 
      524 . 1 1 53 53 TYR CD2  C 13 133.390 0.300 . 1 . . . . 53 TYR CD2  . 11363 1 
      525 . 1 1 53 53 TYR CE1  C 13 118.231 0.300 . 1 . . . . 53 TYR CE1  . 11363 1 
      526 . 1 1 53 53 TYR CE2  C 13 118.231 0.300 . 1 . . . . 53 TYR CE2  . 11363 1 
      527 . 1 1 53 53 TYR N    N 15 122.137 0.300 . 1 . . . . 53 TYR N    . 11363 1 
      528 . 1 1 54 54 SER H    H  1   7.988 0.030 . 1 . . . . 54 SER H    . 11363 1 
      529 . 1 1 54 54 SER HA   H  1   4.382 0.030 . 1 . . . . 54 SER HA   . 11363 1 
      530 . 1 1 54 54 SER HB2  H  1   3.812 0.030 . 2 . . . . 54 SER HB2  . 11363 1 
      531 . 1 1 54 54 SER HB3  H  1   3.763 0.030 . 2 . . . . 54 SER HB3  . 11363 1 
      532 . 1 1 54 54 SER C    C 13 173.977 0.300 . 1 . . . . 54 SER C    . 11363 1 
      533 . 1 1 54 54 SER CA   C 13  57.908 0.300 . 1 . . . . 54 SER CA   . 11363 1 
      534 . 1 1 54 54 SER CB   C 13  63.994 0.300 . 1 . . . . 54 SER CB   . 11363 1 
      535 . 1 1 54 54 SER N    N 15 119.073 0.300 . 1 . . . . 54 SER N    . 11363 1 
      536 . 1 1 55 55 GLY H    H  1   7.106 0.030 . 1 . . . . 55 GLY H    . 11363 1 
      537 . 1 1 55 55 GLY HA2  H  1   3.914 0.030 . 1 . . . . 55 GLY HA2  . 11363 1 
      538 . 1 1 55 55 GLY HA3  H  1   3.914 0.030 . 1 . . . . 55 GLY HA3  . 11363 1 
      539 . 1 1 55 55 GLY C    C 13 178.268 0.300 . 1 . . . . 55 GLY C    . 11363 1 
      540 . 1 1 55 55 GLY CA   C 13  44.572 0.300 . 1 . . . . 55 GLY CA   . 11363 1 
      541 . 1 1 55 55 GLY N    N 15 109.624 0.300 . 1 . . . . 55 GLY N    . 11363 1 
      542 . 1 1 56 56 PRO HA   H  1   4.471 0.030 . 1 . . . . 56 PRO HA   . 11363 1 
      543 . 1 1 56 56 PRO HB2  H  1   2.280 0.030 . 2 . . . . 56 PRO HB2  . 11363 1 
      544 . 1 1 56 56 PRO HB3  H  1   1.964 0.030 . 2 . . . . 56 PRO HB3  . 11363 1 
      545 . 1 1 56 56 PRO HD2  H  1   3.599 0.030 . 1 . . . . 56 PRO HD2  . 11363 1 
      546 . 1 1 56 56 PRO HD3  H  1   3.599 0.030 . 1 . . . . 56 PRO HD3  . 11363 1 
      547 . 1 1 56 56 PRO HG2  H  1   2.017 0.030 . 1 . . . . 56 PRO HG2  . 11363 1 
      548 . 1 1 56 56 PRO HG3  H  1   2.017 0.030 . 1 . . . . 56 PRO HG3  . 11363 1 
      549 . 1 1 56 56 PRO C    C 13 177.496 0.300 . 1 . . . . 56 PRO C    . 11363 1 
      550 . 1 1 56 56 PRO CA   C 13  63.258 0.300 . 1 . . . . 56 PRO CA   . 11363 1 
      551 . 1 1 56 56 PRO CB   C 13  32.215 0.300 . 1 . . . . 56 PRO CB   . 11363 1 
      552 . 1 1 56 56 PRO CD   C 13  49.693 0.300 . 1 . . . . 56 PRO CD   . 11363 1 
      553 . 1 1 56 56 PRO CG   C 13  27.148 0.300 . 1 . . . . 56 PRO CG   . 11363 1 
      554 . 1 1 57 57 SER H    H  1   8.533 0.030 . 1 . . . . 57 SER H    . 11363 1 
      555 . 1 1 57 57 SER HA   H  1   4.561 0.030 . 1 . . . . 57 SER HA   . 11363 1 
      556 . 1 1 57 57 SER HB2  H  1   3.921 0.030 . 1 . . . . 57 SER HB2  . 11363 1 
      557 . 1 1 57 57 SER HB3  H  1   3.921 0.030 . 1 . . . . 57 SER HB3  . 11363 1 
      558 . 1 1 57 57 SER C    C 13 174.605 0.300 . 1 . . . . 57 SER C    . 11363 1 
      559 . 1 1 57 57 SER CA   C 13  58.361 0.300 . 1 . . . . 57 SER CA   . 11363 1 
      560 . 1 1 57 57 SER CB   C 13  63.919 0.300 . 1 . . . . 57 SER CB   . 11363 1 
      561 . 1 1 57 57 SER N    N 15 116.652 0.300 . 1 . . . . 57 SER N    . 11363 1 

   stop_

save_