data_51524


#######################
#  Entry information  #
#######################
save_entry_information_1
   _Entry.Sf_category                    entry_information
   _Entry.Sf_framecode                   entry_information_1
   _Entry.ID                             51524
   _Entry.Title
;
BARD1 Ser-141-216: complex with dsDNA
;
   _Entry.Type                           macromolecule
   _Entry.Version_type                   original
   _Entry.Submission_date                2022-07-20
   _Entry.Accession_date                 2022-07-20
   _Entry.Last_release_date              2022-07-20
   _Entry.Original_release_date          2022-07-20
   _Entry.Origination                    author
   _Entry.Format_name                    .
   _Entry.NMR_STAR_version               3.2.14.0
   _Entry.NMR_STAR_dict_location         .
   _Entry.Original_NMR_STAR_version      3.1
   _Entry.Experimental_method            NMR
   _Entry.Experimental_method_subtype    solution
   _Entry.Source_data_format             .
   _Entry.Source_data_format_version     .
   _Entry.Generated_software_name        .
   _Entry.Generated_software_version     .
   _Entry.Generated_software_ID          .
   _Entry.Generated_software_label       .
   _Entry.Generated_date                 .
   _Entry.DOI                            .
   _Entry.UUID                           .
   _Entry.Related_coordinate_file_name   .
   _Entry.Details                        .
   _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.ORCID
      _Entry_author.Entry_ID

      1   Samuel    Witus      .   R.   .   .                     51524
      2   Lisa      Tuttle     .   M.   .   0000-0001-8889-232X   51524
      3   Alex      Zelter     .   .    .   .                     51524
      4   Klaiten   Kermoade   .   E.   .   .                     51524
      5   Damien    Wilburn    .   B.   .   .                     51524
      6   Weixing   Zhao       .   .    .   .                     51524
      7   Trisha    Davis      .   N.   .   .                     51524
      8   Peter     Brzovic    .   S.   .   .                     51524
      9   Rachel    Klevit     .   E.   .   .                     51524
   stop_

   loop_
      _Data_set.Type
      _Data_set.Count
      _Data_set.Entry_ID

      assigned_chemical_shifts   1   51524
   stop_

   loop_
      _Datum.Type
      _Datum.Count
      _Datum.Entry_ID

      '13C chemical shifts'   143   51524
      '15N chemical shifts'   64    51524
      '1H chemical shifts'    64    51524
   stop_

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

      2   .   .   2023-08-18   2022-07-20   update     BMRB     'update entry citation'   51524
      1   .   .   2023-04-17   2022-07-20   original   author   'original release'        51524
   stop_

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

      BMRB   51523   'BARD1 Ser-141-216: apo form'              51524
      BMRB   51525   'BARD1 Ser-141-216: complex with bubDNA'   51524
   stop_
save_


###############
#  Citations  #
###############
save_citations_1
   _Citation.Sf_category                  citations
   _Citation.Sf_framecode                 citations_1
   _Citation.Entry_ID                     51524
   _Citation.ID                           1
   _Citation.Name                         .
   _Citation.Class                        'entry citation'
   _Citation.CAS_abstract_code            .
   _Citation.MEDLINE_UI_code              .
   _Citation.PubMed_ID                    37305927
   _Citation.DOI                          .
   _Citation.Full_citation                .
   _Citation.Title
;
BRCA1/BARD1 intrinsically disordered regions facilitate chromatin recruitment and ubiquitylation
;
   _Citation.Status                       published
   _Citation.Type                         journal
   _Citation.Journal_abbrev               'EMBO J.'
   _Citation.Journal_name_full            'The EMBO journal'
   _Citation.Journal_volume               42
   _Citation.Journal_issue                15
   _Citation.Journal_ASTM                 .
   _Citation.Journal_ISSN                 1460-2075
   _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                   e113565
   _Citation.Page_last                    e113565
   _Citation.Year                         2023
   _Citation.Details                      .

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

      1    Samuel    Witus      S.   R.   .   .   51524   1
      2    Lisa      Tuttle     L.   M.   .   .   51524   1
      3    Wenjing   Li         W.   .    .   .   51524   1
      4    Alex      Zelter     A.   .    .   .   51524   1
      5    Meiling   Wang       M.   .    .   .   51524   1
      6    Klaiten   Kermoade   K.   E.   .   .   51524   1
      7    Damien    Wilburn    D.   B.   .   .   51524   1
      8    Trisha    Davis      T.   N.   .   .   51524   1
      9    Peter     Brzovic    P.   S.   .   .   51524   1
      10   Weixing   Zhao       W.   .    .   .   51524   1
      11   Rachel    Klevit     R.   E.   .   .   51524   1
   stop_

   loop_
      _Citation_keyword.Keyword
      _Citation_keyword.Entry_ID
      _Citation_keyword.Citation_ID

      'BRCA1, BARD1, IDR, DNA damage repair'   51524   1
   stop_
save_


#############################################
#  Molecular system (assembly) description  #
#############################################
save_assembly_1
   _Assembly.Sf_category                       assembly
   _Assembly.Sf_framecode                      assembly_1
   _Assembly.Entry_ID                          51524
   _Assembly.ID                                1
   _Assembly.Name                              'BARD1 Ser-141-216 complex with dsDNA'
   _Assembly.BMRB_code                         .
   _Assembly.Number_of_components              3
   _Assembly.Organic_ligands                   0
   _Assembly.Metal_ions                        0
   _Assembly.Non_standard_bonds                no
   _Assembly.Ambiguous_conformational_states   no
   _Assembly.Ambiguous_chem_comp_sites         .
   _Assembly.Molecules_in_chemical_exchange    no
   _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   'BARD1 Ser-141-216'   1   $entity_1   .   .   yes   native   yes   no   .   .   .   51524   1
      2   'dsDNA, chain 1'      2   $entity_2   .   .   no    native   yes   no   .   .   .   51524   1
      3   'dsDNA, chain 2'      3   $entity_3   .   .   no    native   yes   no   .   .   .   51524   1
   stop_
save_


    ####################################
    #  Biological polymers and ligands #
    ####################################
save_entity_1
   _Entity.Sf_category                       entity
   _Entity.Sf_framecode                      entity_1
   _Entity.Entry_ID                          51524
   _Entity.ID                                1
   _Entity.BMRB_code                         .
   _Entity.Name                              entity_1
   _Entity.Type                              polymer
   _Entity.Polymer_common_type               .
   _Entity.Polymer_type                      polypeptide(L)
   _Entity.Polymer_type_details              .
   _Entity.Polymer_strand_ID                 .
   _Entity.Polymer_seq_one_letter_code_can   .
   _Entity.Polymer_seq_one_letter_code
;
SNSIKMWFSPRSKKVRYVVS
KASVQTQPAIKKDASAQQDS
YEFVSPSPPADVSERAKKAS
ARSGKKQKKKTLAEINQ
;
   _Entity.Target_identifier                 .
   _Entity.Polymer_author_defined_seq        .
   _Entity.Polymer_author_seq_details        .
   _Entity.Ambiguous_conformational_states   yes
   _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                77
   _Entity.Number_of_nonpolymer_components   .
   _Entity.Paramagnetic                      no
   _Entity.Thiol_state                       'not present'
   _Entity.Src_method                        .
   _Entity.Parent_entity_ID                  1
   _Entity.Fragment                          .
   _Entity.Mutation                          .
   _Entity.EC_number                         .
   _Entity.Calc_isoelectric_point            .
   _Entity.Formula_weight                    .
   _Entity.Formula_weight_exptl              .
   _Entity.Formula_weight_exptl_meth         .
   _Entity.Details                           .
   _Entity.DB_query_date                     .
   _Entity.DB_query_revised_last_date        .

   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    140   SER   .   51524   1
      2    141   ASN   .   51524   1
      3    142   SER   .   51524   1
      4    143   ILE   .   51524   1
      5    144   LYS   .   51524   1
      6    145   MET   .   51524   1
      7    146   TRP   .   51524   1
      8    147   PHE   .   51524   1
      9    148   SER   .   51524   1
      10   149   PRO   .   51524   1
      11   150   ARG   .   51524   1
      12   151   SER   .   51524   1
      13   152   LYS   .   51524   1
      14   153   LYS   .   51524   1
      15   154   VAL   .   51524   1
      16   155   ARG   .   51524   1
      17   156   TYR   .   51524   1
      18   157   VAL   .   51524   1
      19   158   VAL   .   51524   1
      20   159   SER   .   51524   1
      21   160   LYS   .   51524   1
      22   161   ALA   .   51524   1
      23   162   SER   .   51524   1
      24   163   VAL   .   51524   1
      25   164   GLN   .   51524   1
      26   165   THR   .   51524   1
      27   166   GLN   .   51524   1
      28   167   PRO   .   51524   1
      29   168   ALA   .   51524   1
      30   169   ILE   .   51524   1
      31   170   LYS   .   51524   1
      32   171   LYS   .   51524   1
      33   172   ASP   .   51524   1
      34   173   ALA   .   51524   1
      35   174   SER   .   51524   1
      36   175   ALA   .   51524   1
      37   176   GLN   .   51524   1
      38   177   GLN   .   51524   1
      39   178   ASP   .   51524   1
      40   179   SER   .   51524   1
      41   180   TYR   .   51524   1
      42   181   GLU   .   51524   1
      43   182   PHE   .   51524   1
      44   183   VAL   .   51524   1
      45   184   SER   .   51524   1
      46   185   PRO   .   51524   1
      47   186   SER   .   51524   1
      48   187   PRO   .   51524   1
      49   188   PRO   .   51524   1
      50   189   ALA   .   51524   1
      51   190   ASP   .   51524   1
      52   191   VAL   .   51524   1
      53   192   SER   .   51524   1
      54   193   GLU   .   51524   1
      55   194   ARG   .   51524   1
      56   195   ALA   .   51524   1
      57   196   LYS   .   51524   1
      58   197   LYS   .   51524   1
      59   198   ALA   .   51524   1
      60   199   SER   .   51524   1
      61   200   ALA   .   51524   1
      62   201   ARG   .   51524   1
      63   202   SER   .   51524   1
      64   203   GLY   .   51524   1
      65   204   LYS   .   51524   1
      66   205   LYS   .   51524   1
      67   206   GLN   .   51524   1
      68   207   LYS   .   51524   1
      69   208   LYS   .   51524   1
      70   209   LYS   .   51524   1
      71   210   THR   .   51524   1
      72   211   LEU   .   51524   1
      73   212   ALA   .   51524   1
      74   213   GLU   .   51524   1
      75   214   ILE   .   51524   1
      76   215   ASN   .   51524   1
      77   216   GLN   .   51524   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

      .   SER   1    1    51524   1
      .   ASN   2    2    51524   1
      .   SER   3    3    51524   1
      .   ILE   4    4    51524   1
      .   LYS   5    5    51524   1
      .   MET   6    6    51524   1
      .   TRP   7    7    51524   1
      .   PHE   8    8    51524   1
      .   SER   9    9    51524   1
      .   PRO   10   10   51524   1
      .   ARG   11   11   51524   1
      .   SER   12   12   51524   1
      .   LYS   13   13   51524   1
      .   LYS   14   14   51524   1
      .   VAL   15   15   51524   1
      .   ARG   16   16   51524   1
      .   TYR   17   17   51524   1
      .   VAL   18   18   51524   1
      .   VAL   19   19   51524   1
      .   SER   20   20   51524   1
      .   LYS   21   21   51524   1
      .   ALA   22   22   51524   1
      .   SER   23   23   51524   1
      .   VAL   24   24   51524   1
      .   GLN   25   25   51524   1
      .   THR   26   26   51524   1
      .   GLN   27   27   51524   1
      .   PRO   28   28   51524   1
      .   ALA   29   29   51524   1
      .   ILE   30   30   51524   1
      .   LYS   31   31   51524   1
      .   LYS   32   32   51524   1
      .   ASP   33   33   51524   1
      .   ALA   34   34   51524   1
      .   SER   35   35   51524   1
      .   ALA   36   36   51524   1
      .   GLN   37   37   51524   1
      .   GLN   38   38   51524   1
      .   ASP   39   39   51524   1
      .   SER   40   40   51524   1
      .   TYR   41   41   51524   1
      .   GLU   42   42   51524   1
      .   PHE   43   43   51524   1
      .   VAL   44   44   51524   1
      .   SER   45   45   51524   1
      .   PRO   46   46   51524   1
      .   SER   47   47   51524   1
      .   PRO   48   48   51524   1
      .   PRO   49   49   51524   1
      .   ALA   50   50   51524   1
      .   ASP   51   51   51524   1
      .   VAL   52   52   51524   1
      .   SER   53   53   51524   1
      .   GLU   54   54   51524   1
      .   ARG   55   55   51524   1
      .   ALA   56   56   51524   1
      .   LYS   57   57   51524   1
      .   LYS   58   58   51524   1
      .   ALA   59   59   51524   1
      .   SER   60   60   51524   1
      .   ALA   61   61   51524   1
      .   ARG   62   62   51524   1
      .   SER   63   63   51524   1
      .   GLY   64   64   51524   1
      .   LYS   65   65   51524   1
      .   LYS   66   66   51524   1
      .   GLN   67   67   51524   1
      .   LYS   68   68   51524   1
      .   LYS   69   69   51524   1
      .   LYS   70   70   51524   1
      .   THR   71   71   51524   1
      .   LEU   72   72   51524   1
      .   ALA   73   73   51524   1
      .   GLU   74   74   51524   1
      .   ILE   75   75   51524   1
      .   ASN   76   76   51524   1
      .   GLN   77   77   51524   1
   stop_
save_

save_entity_2
   _Entity.Sf_category                       entity
   _Entity.Sf_framecode                      entity_2
   _Entity.Entry_ID                          51524
   _Entity.ID                                2
   _Entity.BMRB_code                         .
   _Entity.Name                              entity_2
   _Entity.Type                              polymer
   _Entity.Polymer_common_type               .
   _Entity.Polymer_type                      polydeoxyribonucleotide
   _Entity.Polymer_type_details              .
   _Entity.Polymer_strand_ID                 .
   _Entity.Polymer_seq_one_letter_code_can   .
   _Entity.Polymer_seq_one_letter_code
;
CCTACGACGCCTGGGGTACC
AGCGCAATTGTGTACC
;
   _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                36
   _Entity.Number_of_nonpolymer_components   .
   _Entity.Paramagnetic                      no
   _Entity.Thiol_state                       'not present'
   _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    .   DC   .   51524   2
      2    .   DC   .   51524   2
      3    .   DT   .   51524   2
      4    .   DA   .   51524   2
      5    .   DC   .   51524   2
      6    .   DG   .   51524   2
      7    .   DA   .   51524   2
      8    .   DC   .   51524   2
      9    .   DG   .   51524   2
      10   .   DC   .   51524   2
      11   .   DC   .   51524   2
      12   .   DT   .   51524   2
      13   .   DG   .   51524   2
      14   .   DG   .   51524   2
      15   .   DG   .   51524   2
      16   .   DG   .   51524   2
      17   .   DT   .   51524   2
      18   .   DA   .   51524   2
      19   .   DC   .   51524   2
      20   .   DC   .   51524   2
      21   .   DA   .   51524   2
      22   .   DG   .   51524   2
      23   .   DC   .   51524   2
      24   .   DG   .   51524   2
      25   .   DC   .   51524   2
      26   .   DA   .   51524   2
      27   .   DA   .   51524   2
      28   .   DT   .   51524   2
      29   .   DT   .   51524   2
      30   .   DG   .   51524   2
      31   .   DT   .   51524   2
      32   .   DG   .   51524   2
      33   .   DT   .   51524   2
      34   .   DA   .   51524   2
      35   .   DC   .   51524   2
      36   .   DC   .   51524   2
   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

      .   DC   1    1    51524   2
      .   DC   2    2    51524   2
      .   DT   3    3    51524   2
      .   DA   4    4    51524   2
      .   DC   5    5    51524   2
      .   DG   6    6    51524   2
      .   DA   7    7    51524   2
      .   DC   8    8    51524   2
      .   DG   9    9    51524   2
      .   DC   10   10   51524   2
      .   DC   11   11   51524   2
      .   DT   12   12   51524   2
      .   DG   13   13   51524   2
      .   DG   14   14   51524   2
      .   DG   15   15   51524   2
      .   DG   16   16   51524   2
      .   DT   17   17   51524   2
      .   DA   18   18   51524   2
      .   DC   19   19   51524   2
      .   DC   20   20   51524   2
      .   DA   21   21   51524   2
      .   DG   22   22   51524   2
      .   DC   23   23   51524   2
      .   DG   24   24   51524   2
      .   DC   25   25   51524   2
      .   DA   26   26   51524   2
      .   DA   27   27   51524   2
      .   DT   28   28   51524   2
      .   DT   29   29   51524   2
      .   DG   30   30   51524   2
      .   DT   31   31   51524   2
      .   DG   32   32   51524   2
      .   DT   33   33   51524   2
      .   DA   34   34   51524   2
      .   DC   35   35   51524   2
      .   DC   36   36   51524   2
   stop_
save_

save_entity_3
   _Entity.Sf_category                       entity
   _Entity.Sf_framecode                      entity_3
   _Entity.Entry_ID                          51524
   _Entity.ID                                3
   _Entity.BMRB_code                         .
   _Entity.Name                              entity_3
   _Entity.Type                              polymer
   _Entity.Polymer_common_type               .
   _Entity.Polymer_type                      polydeoxyribonucleotide
   _Entity.Polymer_type_details              .
   _Entity.Polymer_strand_ID                 .
   _Entity.Polymer_seq_one_letter_code_can   .
   _Entity.Polymer_seq_one_letter_code
;
GGTACACAATTGCGCTGGTA
CCCCAGGCGTCGTAGG
;
   _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                36
   _Entity.Number_of_nonpolymer_components   .
   _Entity.Paramagnetic                      no
   _Entity.Thiol_state                       'not present'
   _Entity.Src_method                        .
   _Entity.Parent_entity_ID                  3
   _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    .   DG   .   51524   3
      2    .   DG   .   51524   3
      3    .   DT   .   51524   3
      4    .   DA   .   51524   3
      5    .   DC   .   51524   3
      6    .   DA   .   51524   3
      7    .   DC   .   51524   3
      8    .   DA   .   51524   3
      9    .   DA   .   51524   3
      10   .   DT   .   51524   3
      11   .   DT   .   51524   3
      12   .   DG   .   51524   3
      13   .   DC   .   51524   3
      14   .   DG   .   51524   3
      15   .   DC   .   51524   3
      16   .   DT   .   51524   3
      17   .   DG   .   51524   3
      18   .   DG   .   51524   3
      19   .   DT   .   51524   3
      20   .   DA   .   51524   3
      21   .   DC   .   51524   3
      22   .   DC   .   51524   3
      23   .   DC   .   51524   3
      24   .   DC   .   51524   3
      25   .   DA   .   51524   3
      26   .   DG   .   51524   3
      27   .   DG   .   51524   3
      28   .   DC   .   51524   3
      29   .   DG   .   51524   3
      30   .   DT   .   51524   3
      31   .   DC   .   51524   3
      32   .   DG   .   51524   3
      33   .   DT   .   51524   3
      34   .   DA   .   51524   3
      35   .   DG   .   51524   3
      36   .   DG   .   51524   3
   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

      .   DG   1    1    51524   3
      .   DG   2    2    51524   3
      .   DT   3    3    51524   3
      .   DA   4    4    51524   3
      .   DC   5    5    51524   3
      .   DA   6    6    51524   3
      .   DC   7    7    51524   3
      .   DA   8    8    51524   3
      .   DA   9    9    51524   3
      .   DT   10   10   51524   3
      .   DT   11   11   51524   3
      .   DG   12   12   51524   3
      .   DC   13   13   51524   3
      .   DG   14   14   51524   3
      .   DC   15   15   51524   3
      .   DT   16   16   51524   3
      .   DG   17   17   51524   3
      .   DG   18   18   51524   3
      .   DT   19   19   51524   3
      .   DA   20   20   51524   3
      .   DC   21   21   51524   3
      .   DC   22   22   51524   3
      .   DC   23   23   51524   3
      .   DC   24   24   51524   3
      .   DA   25   25   51524   3
      .   DG   26   26   51524   3
      .   DG   27   27   51524   3
      .   DC   28   28   51524   3
      .   DG   29   29   51524   3
      .   DT   30   30   51524   3
      .   DC   31   31   51524   3
      .   DG   32   32   51524   3
      .   DT   33   33   51524   3
      .   DA   34   34   51524   3
      .   DG   35   35   51524   3
      .   DG   36   36   51524   3
   stop_
save_


    ####################
    #  Natural source  #
    ####################
save_natural_source_1
   _Entity_natural_src_list.Sf_category    natural_source
   _Entity_natural_src_list.Sf_framecode   natural_source_1
   _Entity_natural_src_list.Entry_ID       51524
   _Entity_natural_src_list.ID             1

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

      1   1   $entity_1   .   9606   organism   .   'Homo sapiens'   Human   .   .   Eukaryota   Metazoa   Homo   sapiens   .   .   .   .   .   .   .   .   .   .   .   .   .   51524   1
      2   2   $entity_2   .   9606   organism   .   'Homo sapiens'   Human   .   .   Eukaryota   Metazoa   Homo   sapiens   .   .   .   .   .   .   .   .   .   .   .   .   .   51524   1
      3   3   $entity_3   .   9606   organism   .   'Homo sapiens'   Human   .   .   Eukaryota   Metazoa   Homo   sapiens   .   .   .   .   .   .   .   .   .   .   .   .   .   51524   1
   stop_
save_


    #########################
    #  Experimental source  #
    #########################
save_experimental_source_1
   _Entity_experimental_src_list.Sf_category    experimental_source
   _Entity_experimental_src_list.Sf_framecode   experimental_source_1
   _Entity_experimental_src_list.Entry_ID       51524
   _Entity_experimental_src_list.ID             1

   loop_
      _Entity_experimental_src.ID
      _Entity_experimental_src.Entity_ID
      _Entity_experimental_src.Entity_label
      _Entity_experimental_src.Entity_chimera_segment_ID
      _Entity_experimental_src.Production_method
      _Entity_experimental_src.Host_org_scientific_name
      _Entity_experimental_src.Host_org_name_common
      _Entity_experimental_src.Host_org_details
      _Entity_experimental_src.Host_org_NCBI_taxonomy_ID
      _Entity_experimental_src.Host_org_genus
      _Entity_experimental_src.Host_org_species
      _Entity_experimental_src.Host_org_strain
      _Entity_experimental_src.Host_org_variant
      _Entity_experimental_src.Host_org_ATCC_number
      _Entity_experimental_src.Vector_type
      _Entity_experimental_src.PDBview_host_org_vector_name
      _Entity_experimental_src.PDBview_plasmid_name
      _Entity_experimental_src.Vector_name
      _Entity_experimental_src.Vector_details
      _Entity_experimental_src.Vendor_name
      _Entity_experimental_src.Details
      _Entity_experimental_src.Entry_ID
      _Entity_experimental_src.Entity_experimental_src_list_ID

      1   1   $entity_1   .   'recombinant technology'   'Escherichia coli'   .   .   .   Escherichia   coli   .   .   .   plasmid   .   .   pET28   .   .   .   51524   1
      2   2   $entity_2   .   'obtained from a vendor'   .                    .   .   .   .             .      .   .   .   plasmid   .   .   .       .   .   .   51524   1
      3   3   $entity_3   .   'obtained from a vendor'   .                    .   .   .   .             .      .   .   .   plasmid   .   .   .       .   .   .   51524   1
   stop_
save_


#####################################
#  Sample contents and methodology  #
#####################################
	 
    ########################
    #  Sample description  #
    ########################
save_sample_1
   _Sample.Sf_category                      sample
   _Sample.Sf_framecode                     sample_1
   _Sample.Entry_ID                         51524
   _Sample.ID                               1
   _Sample.Name                             '13C,15N BARD1 Ser-141-216 complex with dsDNA'
   _Sample.Type                             solution
   _Sample.Sub_type                         .
   _Sample.Details                          .
   _Sample.Aggregate_sample_number          1
   _Sample.Solvent_system                   '93% H2O/7% 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   'BARD1 Ser-141-216'   '[U-100% 13C; U-100% 15N]'   .   .   1   $entity_1   .   .   150   .   .   uM   .   .   .   .   51524   1
      2   D2O                   '[U-100% 2H]'                .   .   .   .           .   .   7     .   .   %    .   .   .   .   51524   1
      3   MOPS-NaOH             'natural abundance'          .   .   .   .           .   .   25    .   .   mM   .   .   .   .   51524   1
      4   'sodium chloride'     'natural abundance'          .   .   .   .           .   .   100   .   .   mM   .   .   .   .   51524   1
      5   EDTA                  'natural abundance'          .   .   .   .           .   .   1     .   .   mM   .   .   .   .   51524   1
      6   TCEP                  'natural abundance'          .   .   .   .           .   .   0.5   .   .   mM   .   .   .   .   51524   1
      7   dsDNA-top             'natural abundance'          .   .   2   $entity_2   .   .   150   .   .   uM   .   .   .   .   51524   1
      8   dsDNA-bottom          'natural abundance'          .   .   3   $entity_3   .   .   150   .   .   uM   .   .   .   .   51524   1
   stop_
save_


#######################
#  Sample conditions  #
#######################
save_sample_conditions_1
   _Sample_condition_list.Sf_category    sample_conditions
   _Sample_condition_list.Sf_framecode   sample_conditions_1
   _Sample_condition_list.Entry_ID       51524
   _Sample_condition_list.ID             1
   _Sample_condition_list.Name           'MOPS pH 7'
   _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'   100   .   mM    51524   1
      pH                 7.0   .   pH    51524   1
      pressure           1     .   atm   51524   1
      temperature        298   .   K     51524   1
   stop_
save_


############################
#  Computer software used  #
############################
save_software_1
   _Software.Sf_category    software
   _Software.Sf_framecode   software_1
   _Software.Entry_ID       51524
   _Software.ID             1
   _Software.Type           .
   _Software.Name           TOPSPIN
   _Software.Version        3.6.4
   _Software.DOI            .
   _Software.Details        .

   loop_
      _Task.Task
      _Task.Software_module
      _Task.Entry_ID
      _Task.Software_ID

      collection   .   51524   1
   stop_
save_

save_software_2
   _Software.Sf_category    software
   _Software.Sf_framecode   software_2
   _Software.Entry_ID       51524
   _Software.ID             2
   _Software.Type           .
   _Software.Name           NMRPipe
   _Software.Version        '9.6 rev 2018.143.16.03'
   _Software.DOI            .
   _Software.Details        .

   loop_
      _Task.Task
      _Task.Software_module
      _Task.Entry_ID
      _Task.Software_ID

      processing   .   51524   2
   stop_
save_

save_software_3
   _Software.Sf_category    software
   _Software.Sf_framecode   software_3
   _Software.Entry_ID       51524
   _Software.ID             3
   _Software.Type           .
   _Software.Name           NMRViewJ
   _Software.Version        9.2.0-b20
   _Software.DOI            .
   _Software.Details        .

   loop_
      _Task.Task
      _Task.Software_module
      _Task.Entry_ID
      _Task.Software_ID

      'chemical shift assignment'   .   51524   3
   stop_
save_


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

    ##################################
    #  NMR Spectrometer definitions  #
    ##################################
save_NMR_spectrometer_1
   _NMR_spectrometer.Sf_category      NMR_spectrometer
   _NMR_spectrometer.Sf_framecode     NMR_spectrometer_1
   _NMR_spectrometer.Entry_ID         51524
   _NMR_spectrometer.ID               1
   _NMR_spectrometer.Name             800MHz
   _NMR_spectrometer.Details          .
   _NMR_spectrometer.Manufacturer     Bruker
   _NMR_spectrometer.Model            Avance
   _NMR_spectrometer.Serial_number    .
   _NMR_spectrometer.Field_strength   800
save_


    #############################
    #  NMR applied experiments  #
    #############################
save_experiment_list_1
   _Experiment_list.Sf_category    experiment_list
   _Experiment_list.Sf_framecode   experiment_list_1
   _Experiment_list.Entry_ID       51524
   _Experiment_list.ID             1
   _Experiment_list.Details        .

   loop_
      _Experiment.ID
      _Experiment.Name
      _Experiment.Raw_data_flag
      _Experiment.NUS_flag
      _Experiment.Interleaved_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.Details
      _Experiment.Entry_ID
      _Experiment.Experiment_list_ID

      1   '2D 1H-15N HSQC'   no   no    no   .   .   .   .   .   .   .   .   .   .   1   $sample_1   isotropic   .   .   1   $sample_conditions_1   .   .   .   1   $NMR_spectrometer_1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   51524   1
      2   '2D 1H-13C HSQC'   no   no    no   .   .   .   .   .   .   .   .   .   .   1   $sample_1   isotropic   .   .   1   $sample_conditions_1   .   .   .   1   $NMR_spectrometer_1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   51524   1
      3   '3D HNCACB'        no   yes   no   .   .   .   .   .   .   .   .   .   .   1   $sample_1   isotropic   .   .   1   $sample_conditions_1   .   .   .   1   $NMR_spectrometer_1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   51524   1
      4   '3D CBCACONH'      no   yes   no   .   .   .   .   .   .   .   .   .   .   1   $sample_1   isotropic   .   .   1   $sample_conditions_1   .   .   .   1   $NMR_spectrometer_1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   51524   1
   stop_
save_


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

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

	################################
	#  Chemical shift referencing  #
	################################
save_chem_shift_reference_1
   _Chem_shift_reference.Sf_category    chem_shift_reference
   _Chem_shift_reference.Sf_framecode   chem_shift_reference_1
   _Chem_shift_reference.Entry_ID       51524
   _Chem_shift_reference.ID             1
   _Chem_shift_reference.Name           reference
   _Chem_shift_reference.Details        .

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

      C   13   water   protons   .   .   .   .   ppm   0   internal   indirect   .   .   .   .   .   .   51524   1
      H   1    water   protons   .   .   .   .   ppm   0   internal   direct     1   .   .   .   .   .   51524   1
      N   15   water   protons   .   .   .   .   ppm   0   internal   indirect   .   .   .   .   .   .   51524   1
   stop_
save_


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

###################################################################
#       Chemical Shift Ambiguity Index Value Definitions          #
#                                                                 #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains.                              #
#                                                                 #
#   Index Value            Definition                             #
#                                                                 #
#      1             Unique (including isolated methyl protons,   #
#                         geminal atoms, and geminal methyl       #
#                         groups with identical chemical shifts)  #
#                         (e.g. ILE HD11, HD12, HD13 protons)     #
#      2             Ambiguity of geminal atoms or geminal methyl #
#                         proton groups (e.g. ASP HB2 and HB3     #
#                         protons, LEU CD1 and CD2 carbons, or    #
#                         LEU HD11, HD12, HD13 and HD21, HD22,    #
#                         HD23 methyl protons)                    #
#      3             Aromatic atoms on opposite sides of          #
#                         symmetrical rings (e.g. TYR HE1 and HE2 #
#                         protons)                                #
#      4             Intraresidue ambiguities (e.g. LYS HG and    #
#                         HD protons or TRP HZ2 and HZ3 protons)  #
#      5             Interresidue ambiguities (LYS 12 vs. LYS 27) #
#      6             Intermolecular ambiguities (e.g. ASP 31 CA   #
#                         in monomer 1 and ASP 31 CA in monomer 2 #
#                         of an asymmetrical homodimer, duplex    #
#                         DNA assignments, or other assignments   #
#                         that may apply to atoms in one or more  #
#                         molecule in the molecular assembly)     #
#      9             Ambiguous, specific ambiguity not defined    #
#                                                                 #
###################################################################
save_assigned_chemical_shifts_1
   _Assigned_chem_shift_list.Sf_category                   assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                  assigned_chemical_shifts_1
   _Assigned_chem_shift_list.Entry_ID                      51524
   _Assigned_chem_shift_list.ID                            1
   _Assigned_chem_shift_list.Name                          'BARD1_S141-216 complex with dsDNA, backbone assignments'
   _Assigned_chem_shift_list.Sample_condition_list_ID      1
   _Assigned_chem_shift_list.Sample_condition_list_label   $sample_conditions_1
   _Assigned_chem_shift_list.Chem_shift_reference_ID       1
   _Assigned_chem_shift_list.Chem_shift_reference_label    $chem_shift_reference_1
   _Assigned_chem_shift_list.Chem_shift_1H_err             .
   _Assigned_chem_shift_list.Chem_shift_13C_err            .
   _Assigned_chem_shift_list.Chem_shift_15N_err            .
   _Assigned_chem_shift_list.Chem_shift_31P_err            .
   _Assigned_chem_shift_list.Chem_shift_2H_err             .
   _Assigned_chem_shift_list.Chem_shift_19F_err            .
   _Assigned_chem_shift_list.Error_derivation_method       .
   _Assigned_chem_shift_list.Details                       .
   _Assigned_chem_shift_list.Text_data_format              .
   _Assigned_chem_shift_list.Text_data                     .

   loop_
      _Chem_shift_experiment.Experiment_ID
      _Chem_shift_experiment.Experiment_name
      _Chem_shift_experiment.Sample_ID
      _Chem_shift_experiment.Sample_label
      _Chem_shift_experiment.Sample_state
      _Chem_shift_experiment.Entry_ID
      _Chem_shift_experiment.Assigned_chem_shift_list_ID

      1   '2D 1H-15N HSQC'   .   .   .   51524   1
      2   '2D 1H-13C HSQC'   .   .   .   51524   1
      3   '3D HNCACB'        .   .   .   51524   1
      4   '3D CBCACONH'      .   .   .   51524   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

      2   $software_2   .   .   51524   1
      3   $software_3   .   .   51524   1
   stop_

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

      1     .   1   .   1   3    3    SER   CA    C   13   58.494    0.2    .   1   .   .   .   .   .   142   S   CA    .   51524   1
      2     .   1   .   1   3    3    SER   CB    C   13   63.801    0.2    .   1   .   .   .   .   .   142   S   CB    .   51524   1
      3     .   1   .   1   4    4    ILE   H     H   1    8.148     0.01   .   1   .   .   .   .   .   143   I   H     .   51524   1
      4     .   1   .   1   4    4    ILE   CA    C   13   61.332    0.2    .   1   .   .   .   .   .   143   I   CA    .   51524   1
      5     .   1   .   1   4    4    ILE   CB    C   13   38.630    0.2    .   1   .   .   .   .   .   143   I   CB    .   51524   1
      6     .   1   .   1   4    4    ILE   N     N   15   122.479   0.1    .   1   .   .   .   .   .   143   I   N     .   51524   1
      7     .   1   .   1   5    5    LYS   H     H   1    8.275     0.01   .   1   .   .   .   .   .   144   K   H     .   51524   1
      8     .   1   .   1   5    5    LYS   CA    C   13   56.281    0.2    .   1   .   .   .   .   .   144   K   CA    .   51524   1
      9     .   1   .   1   5    5    LYS   CB    C   13   32.865    0.2    .   1   .   .   .   .   .   144   K   CB    .   51524   1
      10    .   1   .   1   5    5    LYS   N     N   15   125.251   0.1    .   1   .   .   .   .   .   144   K   N     .   51524   1
      11    .   1   .   1   6    6    MET   H     H   1    8.216     0.01   .   1   .   .   .   .   .   145   M   H     .   51524   1
      12    .   1   .   1   6    6    MET   CA    C   13   55.419    0.2    .   1   .   .   .   .   .   145   M   CA    .   51524   1
      13    .   1   .   1   6    6    MET   CB    C   13   32.928    0.2    .   1   .   .   .   .   .   145   M   CB    .   51524   1
      14    .   1   .   1   6    6    MET   N     N   15   121.539   0.1    .   1   .   .   .   .   .   145   M   N     .   51524   1
      15    .   1   .   1   7    7    TRP   H     H   1    7.994     0.01   .   1   .   .   .   .   .   146   W   H     .   51524   1
      16    .   1   .   1   7    7    TRP   HE1   H   1    10.109    0.01   .   1   .   .   .   .   .   146   W   HE1   .   51524   1
      17    .   1   .   1   7    7    TRP   CA    C   13   57.145    0.2    .   1   .   .   .   .   .   146   W   CA    .   51524   1
      18    .   1   .   1   7    7    TRP   CB    C   13   29.904    0.2    .   1   .   .   .   .   .   146   W   CB    .   51524   1
      19    .   1   .   1   7    7    TRP   N     N   15   121.737   0.1    .   1   .   .   .   .   .   146   W   N     .   51524   1
      20    .   1   .   1   7    7    TRP   NE1   N   15   129.465   0.1    .   1   .   .   .   .   .   146   W   NE1   .   51524   1
      21    .   1   .   1   8    8    PHE   H     H   1    7.868     0.01   .   1   .   .   .   .   .   147   F   H     .   51524   1
      22    .   1   .   1   8    8    PHE   CA    C   13   57.050    0.2    .   1   .   .   .   .   .   147   F   CA    .   51524   1
      23    .   1   .   1   8    8    PHE   CB    C   13   40.107    0.2    .   1   .   .   .   .   .   147   F   CB    .   51524   1
      24    .   1   .   1   8    8    PHE   N     N   15   121.315   0.1    .   1   .   .   .   .   .   147   F   N     .   51524   1
      25    .   1   .   1   9    9    SER   H     H   1    8.094     0.01   .   1   .   .   .   .   .   148   S   H     .   51524   1
      26    .   1   .   1   9    9    SER   CA    C   13   55.903    0.2    .   1   .   .   .   .   .   148   S   CA    .   51524   1
      27    .   1   .   1   9    9    SER   CB    C   13   63.577    0.2    .   1   .   .   .   .   .   148   S   CB    .   51524   1
      28    .   1   .   1   9    9    SER   N     N   15   118.556   0.1    .   1   .   .   .   .   .   148   S   N     .   51524   1
      29    .   1   .   1   10   10   PRO   CA    C   13   63.579    0.2    .   1   .   .   .   .   .   149   P   CA    .   51524   1
      30    .   1   .   1   10   10   PRO   CB    C   13   32.075    0.2    .   1   .   .   .   .   .   149   P   CB    .   51524   1
      31    .   1   .   1   11   11   ARG   H     H   1    8.371     0.01   .   1   .   .   .   .   .   150   R   H     .   51524   1
      32    .   1   .   1   11   11   ARG   CA    C   13   56.201    0.2    .   1   .   .   .   .   .   150   R   CA    .   51524   1
      33    .   1   .   1   11   11   ARG   CB    C   13   30.507    0.2    .   1   .   .   .   .   .   150   R   CB    .   51524   1
      34    .   1   .   1   11   11   ARG   N     N   15   120.106   0.1    .   1   .   .   .   .   .   150   R   N     .   51524   1
      35    .   1   .   1   12   12   SER   H     H   1    8.138     0.01   .   1   .   .   .   .   .   151   S   H     .   51524   1
      36    .   1   .   1   12   12   SER   CA    C   13   58.376    0.2    .   1   .   .   .   .   .   151   S   CA    .   51524   1
      37    .   1   .   1   12   12   SER   CB    C   13   63.984    0.2    .   1   .   .   .   .   .   151   S   CB    .   51524   1
      38    .   1   .   1   12   12   SER   N     N   15   116.193   0.1    .   1   .   .   .   .   .   151   S   N     .   51524   1
      39    .   1   .   1   13   13   LYS   H     H   1    8.316     0.01   .   1   .   .   .   .   .   152   K   H     .   51524   1
      40    .   1   .   1   13   13   LYS   CA    C   13   55.731    0.2    .   1   .   .   .   .   .   152   K   CA    .   51524   1
      41    .   1   .   1   13   13   LYS   CB    C   13   32.935    0.2    .   1   .   .   .   .   .   152   K   CB    .   51524   1
      42    .   1   .   1   13   13   LYS   N     N   15   123.156   0.1    .   1   .   .   .   .   .   152   K   N     .   51524   1
      43    .   1   .   1   14   14   LYS   H     H   1    8.226     0.01   .   1   .   .   .   .   .   153   K   H     .   51524   1
      44    .   1   .   1   14   14   LYS   CA    C   13   56.359    0.2    .   1   .   .   .   .   .   153   K   CA    .   51524   1
      45    .   1   .   1   14   14   LYS   CB    C   13   32.981    0.2    .   1   .   .   .   .   .   153   K   CB    .   51524   1
      46    .   1   .   1   14   14   LYS   N     N   15   122.392   0.1    .   1   .   .   .   .   .   153   K   N     .   51524   1
      47    .   1   .   1   15   15   VAL   H     H   1    8.112     0.01   .   1   .   .   .   .   .   154   V   H     .   51524   1
      48    .   1   .   1   15   15   VAL   CA    C   13   62.319    0.2    .   1   .   .   .   .   .   154   V   CA    .   51524   1
      49    .   1   .   1   15   15   VAL   CB    C   13   32.784    0.2    .   1   .   .   .   .   .   154   V   CB    .   51524   1
      50    .   1   .   1   15   15   VAL   N     N   15   121.935   0.1    .   1   .   .   .   .   .   154   V   N     .   51524   1
      51    .   1   .   1   16   16   ARG   H     H   1    8.329     0.01   .   1   .   .   .   .   .   155   R   H     .   51524   1
      52    .   1   .   1   16   16   ARG   CA    C   13   55.837    0.2    .   1   .   .   .   .   .   155   R   CA    .   51524   1
      53    .   1   .   1   16   16   ARG   CB    C   13   30.992    0.2    .   1   .   .   .   .   .   155   R   CB    .   51524   1
      54    .   1   .   1   16   16   ARG   N     N   15   125.098   0.1    .   1   .   .   .   .   .   155   R   N     .   51524   1
      55    .   1   .   1   17   17   TYR   H     H   1    8.243     0.01   .   1   .   .   .   .   .   156   Y   H     .   51524   1
      56    .   1   .   1   17   17   TYR   CA    C   13   57.699    0.2    .   1   .   .   .   .   .   156   Y   CA    .   51524   1
      57    .   1   .   1   17   17   TYR   CB    C   13   38.986    0.2    .   1   .   .   .   .   .   156   Y   CB    .   51524   1
      58    .   1   .   1   17   17   TYR   N     N   15   122.044   0.1    .   1   .   .   .   .   .   156   Y   N     .   51524   1
      59    .   1   .   1   18   18   VAL   H     H   1    8.124     0.01   .   1   .   .   .   .   .   157   V   H     .   51524   1
      60    .   1   .   1   18   18   VAL   CA    C   13   62.025    0.2    .   1   .   .   .   .   .   157   V   CA    .   51524   1
      61    .   1   .   1   18   18   VAL   CB    C   13   33.180    0.2    .   1   .   .   .   .   .   157   V   CB    .   51524   1
      62    .   1   .   1   18   18   VAL   N     N   15   122.956   0.1    .   1   .   .   .   .   .   157   V   N     .   51524   1
      63    .   1   .   1   19   19   VAL   H     H   1    8.250     0.01   .   1   .   .   .   .   .   158   V   H     .   51524   1
      64    .   1   .   1   19   19   VAL   CA    C   13   62.285    0.2    .   1   .   .   .   .   .   158   V   CA    .   51524   1
      65    .   1   .   1   19   19   VAL   CB    C   13   32.797    0.2    .   1   .   .   .   .   .   158   V   CB    .   51524   1
      66    .   1   .   1   19   19   VAL   N     N   15   124.738   0.1    .   1   .   .   .   .   .   158   V   N     .   51524   1
      67    .   1   .   1   20   20   SER   H     H   1    8.390     0.01   .   1   .   .   .   .   .   159   S   H     .   51524   1
      68    .   1   .   1   20   20   SER   CA    C   13   58.236    0.2    .   1   .   .   .   .   .   159   S   CA    .   51524   1
      69    .   1   .   1   20   20   SER   CB    C   13   63.816    0.2    .   1   .   .   .   .   .   159   S   CB    .   51524   1
      70    .   1   .   1   20   20   SER   N     N   15   119.962   0.1    .   1   .   .   .   .   .   159   S   N     .   51524   1
      71    .   1   .   1   21   21   LYS   CA    C   13   56.395    0.2    .   1   .   .   .   .   .   160   K   CA    .   51524   1
      72    .   1   .   1   21   21   LYS   CB    C   13   32.911    0.2    .   1   .   .   .   .   .   160   K   CB    .   51524   1
      73    .   1   .   1   22   22   ALA   H     H   1    8.275     0.01   .   1   .   .   .   .   .   161   A   H     .   51524   1
      74    .   1   .   1   22   22   ALA   CA    C   13   52.633    0.2    .   1   .   .   .   .   .   161   A   CA    .   51524   1
      75    .   1   .   1   22   22   ALA   CB    C   13   19.222    0.2    .   1   .   .   .   .   .   161   A   CB    .   51524   1
      76    .   1   .   1   22   22   ALA   N     N   15   124.582   0.1    .   1   .   .   .   .   .   161   A   N     .   51524   1
      77    .   1   .   1   23   23   SER   H     H   1    8.241     0.01   .   1   .   .   .   .   .   162   S   H     .   51524   1
      78    .   1   .   1   23   23   SER   CA    C   13   58.348    0.2    .   1   .   .   .   .   .   162   S   CA    .   51524   1
      79    .   1   .   1   23   23   SER   CB    C   13   63.863    0.2    .   1   .   .   .   .   .   162   S   CB    .   51524   1
      80    .   1   .   1   23   23   SER   N     N   15   115.203   0.1    .   1   .   .   .   .   .   162   S   N     .   51524   1
      81    .   1   .   1   24   24   VAL   H     H   1    8.080     0.01   .   1   .   .   .   .   .   163   V   H     .   51524   1
      82    .   1   .   1   24   24   VAL   CA    C   13   62.544    0.2    .   1   .   .   .   .   .   163   V   CA    .   51524   1
      83    .   1   .   1   24   24   VAL   CB    C   13   32.775    0.2    .   1   .   .   .   .   .   163   V   CB    .   51524   1
      84    .   1   .   1   24   24   VAL   N     N   15   121.365   0.1    .   1   .   .   .   .   .   163   V   N     .   51524   1
      85    .   1   .   1   25   25   GLN   H     H   1    8.441     0.01   .   1   .   .   .   .   .   164   Q   H     .   51524   1
      86    .   1   .   1   25   25   GLN   CA    C   13   55.899    0.2    .   1   .   .   .   .   .   164   Q   CA    .   51524   1
      87    .   1   .   1   25   25   GLN   CB    C   13   29.513    0.2    .   1   .   .   .   .   .   164   Q   CB    .   51524   1
      88    .   1   .   1   25   25   GLN   N     N   15   123.790   0.1    .   1   .   .   .   .   .   164   Q   N     .   51524   1
      89    .   1   .   1   26   26   THR   H     H   1    8.186     0.01   .   1   .   .   .   .   .   165   T   H     .   51524   1
      90    .   1   .   1   26   26   THR   CA    C   13   62.028    0.2    .   1   .   .   .   .   .   165   T   CA    .   51524   1
      91    .   1   .   1   26   26   THR   CB    C   13   69.850    0.2    .   1   .   .   .   .   .   165   T   CB    .   51524   1
      92    .   1   .   1   26   26   THR   N     N   15   115.965   0.1    .   1   .   .   .   .   .   165   T   N     .   51524   1
      93    .   1   .   1   27   27   GLN   H     H   1    8.382     0.01   .   1   .   .   .   .   .   166   Q   H     .   51524   1
      94    .   1   .   1   27   27   GLN   CA    C   13   53.768    0.2    .   1   .   .   .   .   .   166   Q   CA    .   51524   1
      95    .   1   .   1   27   27   GLN   CB    C   13   28.927    0.2    .   1   .   .   .   .   .   166   Q   CB    .   51524   1
      96    .   1   .   1   27   27   GLN   N     N   15   123.713   0.1    .   1   .   .   .   .   .   166   Q   N     .   51524   1
      97    .   1   .   1   28   28   PRO   CA    C   13   63.139    0.2    .   1   .   .   .   .   .   167   P   CA    .   51524   1
      98    .   1   .   1   28   28   PRO   CB    C   13   32.105    0.2    .   1   .   .   .   .   .   167   P   CB    .   51524   1
      99    .   1   .   1   29   29   ALA   H     H   1    8.378     0.01   .   1   .   .   .   .   .   168   A   H     .   51524   1
      100   .   1   .   1   29   29   ALA   CA    C   13   52.550    0.2    .   1   .   .   .   .   .   168   A   CA    .   51524   1
      101   .   1   .   1   29   29   ALA   CB    C   13   18.985    0.2    .   1   .   .   .   .   .   168   A   CB    .   51524   1
      102   .   1   .   1   29   29   ALA   N     N   15   124.389   0.1    .   1   .   .   .   .   .   168   A   N     .   51524   1
      103   .   1   .   1   30   30   ILE   H     H   1    8.075     0.01   .   1   .   .   .   .   .   169   I   H     .   51524   1
      104   .   1   .   1   30   30   ILE   CA    C   13   60.907    0.2    .   1   .   .   .   .   .   169   I   CA    .   51524   1
      105   .   1   .   1   30   30   ILE   CB    C   13   38.809    0.2    .   1   .   .   .   .   .   169   I   CB    .   51524   1
      106   .   1   .   1   30   30   ILE   N     N   15   120.394   0.1    .   1   .   .   .   .   .   169   I   N     .   51524   1
      107   .   1   .   1   31   31   LYS   H     H   1    8.376     0.01   .   1   .   .   .   .   .   170   K   H     .   51524   1
      108   .   1   .   1   31   31   LYS   CA    C   13   56.172    0.2    .   1   .   .   .   .   .   170   K   CA    .   51524   1
      109   .   1   .   1   31   31   LYS   CB    C   13   33.061    0.2    .   1   .   .   .   .   .   170   K   CB    .   51524   1
      110   .   1   .   1   31   31   LYS   N     N   15   126.216   0.1    .   1   .   .   .   .   .   170   K   N     .   51524   1
      111   .   1   .   1   32   32   LYS   CA    C   13   56.514    0.2    .   1   .   .   .   .   .   171   K   CA    .   51524   1
      112   .   1   .   1   32   32   LYS   CB    C   13   33.102    0.2    .   1   .   .   .   .   .   171   K   CB    .   51524   1
      113   .   1   .   1   33   33   ASP   H     H   1    8.353     0.01   .   1   .   .   .   .   .   172   D   H     .   51524   1
      114   .   1   .   1   33   33   ASP   CA    C   13   54.180    0.2    .   1   .   .   .   .   .   172   D   CA    .   51524   1
      115   .   1   .   1   33   33   ASP   CB    C   13   41.305    0.2    .   1   .   .   .   .   .   172   D   CB    .   51524   1
      116   .   1   .   1   33   33   ASP   N     N   15   121.702   0.1    .   1   .   .   .   .   .   172   D   N     .   51524   1
      117   .   1   .   1   34   34   ALA   H     H   1    8.368     0.01   .   1   .   .   .   .   .   173   A   H     .   51524   1
      118   .   1   .   1   34   34   ALA   CA    C   13   52.999    0.2    .   1   .   .   .   .   .   173   A   CA    .   51524   1
      119   .   1   .   1   34   34   ALA   CB    C   13   19.056    0.2    .   1   .   .   .   .   .   173   A   CB    .   51524   1
      120   .   1   .   1   34   34   ALA   N     N   15   125.169   0.1    .   1   .   .   .   .   .   173   A   N     .   51524   1
      121   .   1   .   1   35   35   SER   H     H   1    8.342     0.01   .   1   .   .   .   .   .   174   S   H     .   51524   1
      122   .   1   .   1   35   35   SER   CA    C   13   58.910    0.2    .   1   .   .   .   .   .   174   S   CA    .   51524   1
      123   .   1   .   1   35   35   SER   CB    C   13   63.832    0.2    .   1   .   .   .   .   .   174   S   CB    .   51524   1
      124   .   1   .   1   35   35   SER   N     N   15   114.760   0.1    .   1   .   .   .   .   .   174   S   N     .   51524   1
      125   .   1   .   1   36   36   ALA   H     H   1    8.115     0.01   .   1   .   .   .   .   .   175   A   H     .   51524   1
      126   .   1   .   1   36   36   ALA   CA    C   13   52.646    0.2    .   1   .   .   .   .   .   175   A   CA    .   51524   1
      127   .   1   .   1   36   36   ALA   CB    C   13   19.170    0.2    .   1   .   .   .   .   .   175   A   CB    .   51524   1
      128   .   1   .   1   36   36   ALA   N     N   15   125.425   0.1    .   1   .   .   .   .   .   175   A   N     .   51524   1
      129   .   1   .   1   37   37   GLN   H     H   1    8.235     0.01   .   1   .   .   .   .   .   176   Q   H     .   51524   1
      130   .   1   .   1   37   37   GLN   CA    C   13   55.985    0.2    .   1   .   .   .   .   .   176   Q   CA    .   51524   1
      131   .   1   .   1   37   37   GLN   CB    C   13   29.279    0.2    .   1   .   .   .   .   .   176   Q   CB    .   51524   1
      132   .   1   .   1   37   37   GLN   N     N   15   119.271   0.1    .   1   .   .   .   .   .   176   Q   N     .   51524   1
      133   .   1   .   1   38   38   GLN   H     H   1    8.355     0.01   .   1   .   .   .   .   .   177   Q   H     .   51524   1
      134   .   1   .   1   38   38   GLN   CA    C   13   56.167    0.2    .   1   .   .   .   .   .   177   Q   CA    .   51524   1
      135   .   1   .   1   38   38   GLN   CB    C   13   29.433    0.2    .   1   .   .   .   .   .   177   Q   CB    .   51524   1
      136   .   1   .   1   38   38   GLN   N     N   15   121.350   0.1    .   1   .   .   .   .   .   177   Q   N     .   51524   1
      137   .   1   .   1   39   39   ASP   H     H   1    8.385     0.01   .   1   .   .   .   .   .   178   D   H     .   51524   1
      138   .   1   .   1   39   39   ASP   CA    C   13   54.616    0.2    .   1   .   .   .   .   .   178   D   CA    .   51524   1
      139   .   1   .   1   39   39   ASP   CB    C   13   41.272    0.2    .   1   .   .   .   .   .   178   D   CB    .   51524   1
      140   .   1   .   1   39   39   ASP   N     N   15   121.469   0.1    .   1   .   .   .   .   .   178   D   N     .   51524   1
      141   .   1   .   1   40   40   SER   H     H   1    8.113     0.01   .   1   .   .   .   .   .   179   S   H     .   51524   1
      142   .   1   .   1   40   40   SER   CA    C   13   58.342    0.2    .   1   .   .   .   .   .   179   S   CA    .   51524   1
      143   .   1   .   1   40   40   SER   CB    C   13   63.921    0.2    .   1   .   .   .   .   .   179   S   CB    .   51524   1
      144   .   1   .   1   40   40   SER   N     N   15   115.318   0.1    .   1   .   .   .   .   .   179   S   N     .   51524   1
      145   .   1   .   1   41   41   TYR   H     H   1    8.203     0.01   .   1   .   .   .   .   .   180   Y   H     .   51524   1
      146   .   1   .   1   41   41   TYR   CA    C   13   58.151    0.2    .   1   .   .   .   .   .   180   Y   CA    .   51524   1
      147   .   1   .   1   41   41   TYR   CB    C   13   38.727    0.2    .   1   .   .   .   .   .   180   Y   CB    .   51524   1
      148   .   1   .   1   41   41   TYR   N     N   15   122.154   0.1    .   1   .   .   .   .   .   180   Y   N     .   51524   1
      149   .   1   .   1   42   42   GLU   H     H   1    8.157     0.01   .   1   .   .   .   .   .   181   E   H     .   51524   1
      150   .   1   .   1   42   42   GLU   CA    C   13   56.527    0.2    .   1   .   .   .   .   .   181   E   CA    .   51524   1
      151   .   1   .   1   42   42   GLU   CB    C   13   30.484    0.2    .   1   .   .   .   .   .   181   E   CB    .   51524   1
      152   .   1   .   1   42   42   GLU   N     N   15   121.995   0.1    .   1   .   .   .   .   .   181   E   N     .   51524   1
      153   .   1   .   1   43   43   PHE   H     H   1    8.125     0.01   .   1   .   .   .   .   .   182   F   H     .   51524   1
      154   .   1   .   1   43   43   PHE   CA    C   13   57.858    0.2    .   1   .   .   .   .   .   182   F   CA    .   51524   1
      155   .   1   .   1   43   43   PHE   CB    C   13   39.595    0.2    .   1   .   .   .   .   .   182   F   CB    .   51524   1
      156   .   1   .   1   43   43   PHE   N     N   15   121.307   0.1    .   1   .   .   .   .   .   182   F   N     .   51524   1
      157   .   1   .   1   44   44   VAL   H     H   1    7.932     0.01   .   1   .   .   .   .   .   183   V   H     .   51524   1
      158   .   1   .   1   44   44   VAL   CA    C   13   62.015    0.2    .   1   .   .   .   .   .   183   V   CA    .   51524   1
      159   .   1   .   1   44   44   VAL   CB    C   13   33.017    0.2    .   1   .   .   .   .   .   183   V   CB    .   51524   1
      160   .   1   .   1   44   44   VAL   N     N   15   123.126   0.1    .   1   .   .   .   .   .   183   V   N     .   51524   1
      161   .   1   .   1   45   45   SER   H     H   1    8.364     0.01   .   1   .   .   .   .   .   184   S   H     .   51524   1
      162   .   1   .   1   45   45   SER   CA    C   13   56.474    0.2    .   1   .   .   .   .   .   184   S   CA    .   51524   1
      163   .   1   .   1   45   45   SER   CB    C   13   63.386    0.2    .   1   .   .   .   .   .   184   S   CB    .   51524   1
      164   .   1   .   1   45   45   SER   N     N   15   121.452   0.1    .   1   .   .   .   .   .   184   S   N     .   51524   1
      165   .   1   .   1   46   46   PRO   CA    C   13   63.825    0.2    .   1   .   .   .   .   .   185   P   CA    .   51524   1
      166   .   1   .   1   46   46   PRO   CB    C   13   32.079    0.2    .   1   .   .   .   .   .   185   P   CB    .   51524   1
      167   .   1   .   1   47   47   SER   H     H   1    8.355     0.01   .   1   .   .   .   .   .   186   S   H     .   51524   1
      168   .   1   .   1   47   47   SER   CA    C   13   56.667    0.2    .   1   .   .   .   .   .   186   S   CA    .   51524   1
      169   .   1   .   1   47   47   SER   CB    C   13   63.175    0.2    .   1   .   .   .   .   .   186   S   CB    .   51524   1
      170   .   1   .   1   47   47   SER   N     N   15   117.841   0.1    .   1   .   .   .   .   .   186   S   N     .   51524   1
      171   .   1   .   1   49   49   PRO   CA    C   13   63.071    0.2    .   1   .   .   .   .   .   188   P   CA    .   51524   1
      172   .   1   .   1   49   49   PRO   CB    C   13   31.990    0.2    .   1   .   .   .   .   .   188   P   CB    .   51524   1
      173   .   1   .   1   50   50   ALA   H     H   1    8.403     0.01   .   1   .   .   .   .   .   189   A   H     .   51524   1
      174   .   1   .   1   50   50   ALA   CA    C   13   52.756    0.2    .   1   .   .   .   .   .   189   A   CA    .   51524   1
      175   .   1   .   1   50   50   ALA   CB    C   13   19.198    0.2    .   1   .   .   .   .   .   189   A   CB    .   51524   1
      176   .   1   .   1   50   50   ALA   N     N   15   124.148   0.1    .   1   .   .   .   .   .   189   A   N     .   51524   1
      177   .   1   .   1   51   51   ASP   H     H   1    8.331     0.01   .   1   .   .   .   .   .   190   D   H     .   51524   1
      178   .   1   .   1   51   51   ASP   CA    C   13   54.234    0.2    .   1   .   .   .   .   .   190   D   CA    .   51524   1
      179   .   1   .   1   51   51   ASP   CB    C   13   41.171    0.2    .   1   .   .   .   .   .   190   D   CB    .   51524   1
      180   .   1   .   1   51   51   ASP   N     N   15   119.468   0.1    .   1   .   .   .   .   .   190   D   N     .   51524   1
      181   .   1   .   1   52   52   VAL   H     H   1    8.079     0.01   .   1   .   .   .   .   .   191   V   H     .   51524   1
      182   .   1   .   1   52   52   VAL   CA    C   13   62.743    0.2    .   1   .   .   .   .   .   191   V   CA    .   51524   1
      183   .   1   .   1   52   52   VAL   CB    C   13   32.359    0.2    .   1   .   .   .   .   .   191   V   CB    .   51524   1
      184   .   1   .   1   52   52   VAL   N     N   15   120.143   0.1    .   1   .   .   .   .   .   191   V   N     .   51524   1
      185   .   1   .   1   53   53   SER   H     H   1    8.377     0.01   .   1   .   .   .   .   .   192   S   H     .   51524   1
      186   .   1   .   1   53   53   SER   CA    C   13   59.179    0.2    .   1   .   .   .   .   .   192   S   CA    .   51524   1
      187   .   1   .   1   53   53   SER   CB    C   13   63.802    0.2    .   1   .   .   .   .   .   192   S   CB    .   51524   1
      188   .   1   .   1   53   53   SER   N     N   15   118.859   0.1    .   1   .   .   .   .   .   192   S   N     .   51524   1
      189   .   1   .   1   54   54   GLU   H     H   1    8.394     0.01   .   1   .   .   .   .   .   193   E   H     .   51524   1
      190   .   1   .   1   54   54   GLU   CA    C   13   57.334    0.2    .   1   .   .   .   .   .   193   E   CA    .   51524   1
      191   .   1   .   1   54   54   GLU   CB    C   13   29.951    0.2    .   1   .   .   .   .   .   193   E   CB    .   51524   1
      192   .   1   .   1   54   54   GLU   N     N   15   122.715   0.1    .   1   .   .   .   .   .   193   E   N     .   51524   1
      193   .   1   .   1   55   55   ARG   H     H   1    8.207     0.01   .   1   .   .   .   .   .   194   R   H     .   51524   1
      194   .   1   .   1   55   55   ARG   CA    C   13   57.032    0.2    .   1   .   .   .   .   .   194   R   CA    .   51524   1
      195   .   1   .   1   55   55   ARG   CB    C   13   30.256    0.2    .   1   .   .   .   .   .   194   R   CB    .   51524   1
      196   .   1   .   1   55   55   ARG   N     N   15   121.104   0.1    .   1   .   .   .   .   .   194   R   N     .   51524   1
      197   .   1   .   1   56   56   ALA   H     H   1    8.159     0.01   .   1   .   .   .   .   .   195   A   H     .   51524   1
      198   .   1   .   1   56   56   ALA   CA    C   13   53.031    0.2    .   1   .   .   .   .   .   195   A   CA    .   51524   1
      199   .   1   .   1   56   56   ALA   CB    C   13   18.955    0.2    .   1   .   .   .   .   .   195   A   CB    .   51524   1
      200   .   1   .   1   56   56   ALA   N     N   15   124.310   0.1    .   1   .   .   .   .   .   195   A   N     .   51524   1
      201   .   1   .   1   57   57   LYS   H     H   1    8.160     0.01   .   1   .   .   .   .   .   196   K   H     .   51524   1
      202   .   1   .   1   57   57   LYS   CA    C   13   56.906    0.2    .   1   .   .   .   .   .   196   K   CA    .   51524   1
      203   .   1   .   1   57   57   LYS   CB    C   13   33.013    0.2    .   1   .   .   .   .   .   196   K   CB    .   51524   1
      204   .   1   .   1   57   57   LYS   N     N   15   120.611   0.1    .   1   .   .   .   .   .   196   K   N     .   51524   1
      205   .   1   .   1   58   58   LYS   H     H   1    8.278     0.01   .   1   .   .   .   .   .   197   K   H     .   51524   1
      206   .   1   .   1   58   58   LYS   CA    C   13   56.734    0.2    .   1   .   .   .   .   .   197   K   CA    .   51524   1
      207   .   1   .   1   58   58   LYS   CB    C   13   33.038    0.2    .   1   .   .   .   .   .   197   K   CB    .   51524   1
      208   .   1   .   1   58   58   LYS   N     N   15   122.288   0.1    .   1   .   .   .   .   .   197   K   N     .   51524   1
      209   .   1   .   1   59   59   ALA   H     H   1    8.259     0.01   .   1   .   .   .   .   .   198   A   H     .   51524   1
      210   .   1   .   1   59   59   ALA   CA    C   13   52.771    0.2    .   1   .   .   .   .   .   198   A   CA    .   51524   1
      211   .   1   .   1   59   59   ALA   CB    C   13   19.124    0.2    .   1   .   .   .   .   .   198   A   CB    .   51524   1
      212   .   1   .   1   59   59   ALA   N     N   15   124.661   0.1    .   1   .   .   .   .   .   198   A   N     .   51524   1
      213   .   1   .   1   60   60   SER   H     H   1    8.270     0.01   .   1   .   .   .   .   .   199   S   H     .   51524   1
      214   .   1   .   1   60   60   SER   CA    C   13   58.511    0.2    .   1   .   .   .   .   .   199   S   CA    .   51524   1
      215   .   1   .   1   60   60   SER   CB    C   13   63.918    0.2    .   1   .   .   .   .   .   199   S   CB    .   51524   1
      216   .   1   .   1   60   60   SER   N     N   15   115.060   0.1    .   1   .   .   .   .   .   199   S   N     .   51524   1
      217   .   1   .   1   61   61   ALA   H     H   1    8.318     0.01   .   1   .   .   .   .   .   200   A   H     .   51524   1
      218   .   1   .   1   61   61   ALA   CA    C   13   52.937    0.2    .   1   .   .   .   .   .   200   A   CA    .   51524   1
      219   .   1   .   1   61   61   ALA   CB    C   13   19.113    0.2    .   1   .   .   .   .   .   200   A   CB    .   51524   1
      220   .   1   .   1   61   61   ALA   N     N   15   126.010   0.1    .   1   .   .   .   .   .   200   A   N     .   51524   1
      221   .   1   .   1   62   62   ARG   H     H   1    8.278     0.01   .   1   .   .   .   .   .   201   R   H     .   51524   1
      222   .   1   .   1   62   62   ARG   CA    C   13   56.451    0.2    .   1   .   .   .   .   .   201   R   CA    .   51524   1
      223   .   1   .   1   62   62   ARG   CB    C   13   30.668    0.2    .   1   .   .   .   .   .   201   R   CB    .   51524   1
      224   .   1   .   1   62   62   ARG   N     N   15   119.733   0.1    .   1   .   .   .   .   .   201   R   N     .   51524   1
      225   .   1   .   1   63   63   SER   H     H   1    8.304     0.01   .   1   .   .   .   .   .   202   S   H     .   51524   1
      226   .   1   .   1   63   63   SER   CA    C   13   58.649    0.2    .   1   .   .   .   .   .   202   S   CA    .   51524   1
      227   .   1   .   1   63   63   SER   CB    C   13   63.952    0.2    .   1   .   .   .   .   .   202   S   CB    .   51524   1
      228   .   1   .   1   63   63   SER   N     N   15   116.683   0.1    .   1   .   .   .   .   .   202   S   N     .   51524   1
      229   .   1   .   1   64   64   GLY   H     H   1    8.469     0.01   .   1   .   .   .   .   .   203   G   H     .   51524   1
      230   .   1   .   1   64   64   GLY   CA    C   13   45.454    0.2    .   1   .   .   .   .   .   203   G   CA    .   51524   1
      231   .   1   .   1   64   64   GLY   N     N   15   110.937   0.1    .   1   .   .   .   .   .   203   G   N     .   51524   1
      232   .   1   .   1   65   65   LYS   H     H   1    8.197     0.01   .   1   .   .   .   .   .   204   K   H     .   51524   1
      233   .   1   .   1   65   65   LYS   CA    C   13   56.660    0.2    .   1   .   .   .   .   .   204   K   CA    .   51524   1
      234   .   1   .   1   65   65   LYS   CB    C   13   33.045    0.2    .   1   .   .   .   .   .   204   K   CB    .   51524   1
      235   .   1   .   1   65   65   LYS   N     N   15   120.877   0.1    .   1   .   .   .   .   .   204   K   N     .   51524   1
      236   .   1   .   1   66   66   LYS   CA    C   13   56.429    0.2    .   1   .   .   .   .   .   205   K   CA    .   51524   1
      237   .   1   .   1   66   66   LYS   CB    C   13   32.985    0.2    .   1   .   .   .   .   .   205   K   CB    .   51524   1
      238   .   1   .   1   67   67   GLN   H     H   1    8.383     0.01   .   1   .   .   .   .   .   206   Q   H     .   51524   1
      239   .   1   .   1   67   67   GLN   CA    C   13   56.429    0.2    .   1   .   .   .   .   .   206   Q   CA    .   51524   1
      240   .   1   .   1   67   67   GLN   CB    C   13   29.996    0.2    .   1   .   .   .   .   .   206   Q   CB    .   51524   1
      241   .   1   .   1   67   67   GLN   N     N   15   121.873   0.1    .   1   .   .   .   .   .   206   Q   N     .   51524   1
      242   .   1   .   1   70   70   LYS   CA    C   13   56.655    0.2    .   1   .   .   .   .   .   209   K   CA    .   51524   1
      243   .   1   .   1   70   70   LYS   CB    C   13   33.260    0.2    .   1   .   .   .   .   .   209   K   CB    .   51524   1
      244   .   1   .   1   71   71   THR   H     H   1    8.253     0.01   .   1   .   .   .   .   .   210   T   H     .   51524   1
      245   .   1   .   1   71   71   THR   CA    C   13   61.887    0.2    .   1   .   .   .   .   .   210   T   CA    .   51524   1
      246   .   1   .   1   71   71   THR   CB    C   13   70.003    0.2    .   1   .   .   .   .   .   210   T   CB    .   51524   1
      247   .   1   .   1   71   71   THR   N     N   15   116.095   0.1    .   1   .   .   .   .   .   210   T   N     .   51524   1
      248   .   1   .   1   72   72   LEU   H     H   1    8.319     0.01   .   1   .   .   .   .   .   211   L   H     .   51524   1
      249   .   1   .   1   72   72   LEU   CA    C   13   55.531    0.2    .   1   .   .   .   .   .   211   L   CA    .   51524   1
      250   .   1   .   1   72   72   LEU   CB    C   13   42.309    0.2    .   1   .   .   .   .   .   211   L   CB    .   51524   1
      251   .   1   .   1   72   72   LEU   N     N   15   124.467   0.1    .   1   .   .   .   .   .   211   L   N     .   51524   1
      252   .   1   .   1   73   73   ALA   H     H   1    8.206     0.01   .   1   .   .   .   .   .   212   A   H     .   51524   1
      253   .   1   .   1   73   73   ALA   CA    C   13   52.814    0.2    .   1   .   .   .   .   .   212   A   CA    .   51524   1
      254   .   1   .   1   73   73   ALA   CB    C   13   19.095    0.2    .   1   .   .   .   .   .   212   A   CB    .   51524   1
      255   .   1   .   1   73   73   ALA   N     N   15   124.029   0.1    .   1   .   .   .   .   .   212   A   N     .   51524   1
      256   .   1   .   1   74   74   GLU   H     H   1    8.200     0.01   .   1   .   .   .   .   .   213   E   H     .   51524   1
      257   .   1   .   1   74   74   GLU   CA    C   13   56.749    0.2    .   1   .   .   .   .   .   213   E   CA    .   51524   1
      258   .   1   .   1   74   74   GLU   CB    C   13   30.383    0.2    .   1   .   .   .   .   .   213   E   CB    .   51524   1
      259   .   1   .   1   74   74   GLU   N     N   15   119.670   0.1    .   1   .   .   .   .   .   213   E   N     .   51524   1
      260   .   1   .   1   75   75   ILE   H     H   1    8.069     0.01   .   1   .   .   .   .   .   214   I   H     .   51524   1
      261   .   1   .   1   75   75   ILE   CA    C   13   61.511    0.2    .   1   .   .   .   .   .   214   I   CA    .   51524   1
      262   .   1   .   1   75   75   ILE   CB    C   13   38.863    0.2    .   1   .   .   .   .   .   214   I   CB    .   51524   1
      263   .   1   .   1   75   75   ILE   N     N   15   120.896   0.1    .   1   .   .   .   .   .   214   I   N     .   51524   1
      264   .   1   .   1   76   76   ASN   H     H   1    8.441     0.01   .   1   .   .   .   .   .   215   N   H     .   51524   1
      265   .   1   .   1   76   76   ASN   CA    C   13   53.467    0.2    .   1   .   .   .   .   .   215   N   CA    .   51524   1
      266   .   1   .   1   76   76   ASN   CB    C   13   38.904    0.2    .   1   .   .   .   .   .   215   N   CB    .   51524   1
      267   .   1   .   1   76   76   ASN   N     N   15   122.504   0.1    .   1   .   .   .   .   .   215   N   N     .   51524   1
      268   .   1   .   1   77   77   GLN   H     H   1    7.900     0.01   .   1   .   .   .   .   .   216   Q   H     .   51524   1
      269   .   1   .   1   77   77   GLN   CA    C   13   57.487    0.2    .   1   .   .   .   .   .   216   Q   CA    .   51524   1
      270   .   1   .   1   77   77   GLN   CB    C   13   30.438    0.2    .   1   .   .   .   .   .   216   Q   CB    .   51524   1
      271   .   1   .   1   77   77   GLN   N     N   15   125.571   0.1    .   1   .   .   .   .   .   216   Q   N     .   51524   1
   stop_
save_