data_4259


#######################
#  Entry information  #
#######################
save_entry_information
   _Entry.Sf_category                    entry_information
   _Entry.Sf_framecode                   entry_information
   _Entry.ID                             4259
   _Entry.Title
;
Sequential Assignment and Solution Secondary Structure of Doubly Labelled 
Ribonuclease Sa
;
   _Entry.Type                           macromolecule
   _Entry.Version_type                   original
   _Entry.Submission_date                1998-10-29
   _Entry.Accession_date                 1999-03-25
   _Entry.Last_release_date              1998-10-30
   _Entry.Original_release_date          1998-10-30
   _Entry.Origination                    author
   _Entry.Format_name                    .
   _Entry.NMR_STAR_version               3.2.0.16
   _Entry.Original_NMR_STAR_version      2.1
   _Entry.Experimental_method            NMR
   _Entry.Experimental_method_subtype    .
   _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   Douglas         Laurents           .   V.     .   .   4259
      2   'Jose Manuel'   Perez-Canadillas   .   .      .   .   4259
      3   Marta           Bruix              .   .      .   .   4259
      4   Jorge           Santoro            .   .      .   .   4259
      5   David           Schell             .   .      .   .   4259
      6   Eric            Hebert             .   J.     .   .   4259
      7   C.              Pace               .   Nick   .   .   4259
      8   Manuel          Rico               .   .      .   .   4259
   stop_

   loop_
      _Data_set.Type
      _Data_set.Count
      _Data_set.Entry_ID

      assigned_chemical_shifts   1   4259
   stop_

   loop_
      _Datum.Type
      _Datum.Count
      _Datum.Entry_ID

      '13C chemical shifts'   183   4259
      '15N chemical shifts'   96    4259
      '1H chemical shifts'    635   4259
   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   .   .   1999-11-23   .   original   BMRB   .   4259
   stop_
save_


###############
#  Citations  #
###############
save_entry_citation
   _Citation.Sf_category                  citations
   _Citation.Sf_framecode                 entry_citation
   _Citation.Entry_ID                     4259
   _Citation.ID                           1
   _Citation.Class                        'entry citation'
   _Citation.CAS_abstract_code            .
   _Citation.MEDLINE_UI_code              99311320
   _Citation.DOI                          .
   _Citation.PubMed_ID                    .
   _Citation.Full_citation                .
   _Citation.Title
;
Sequential Assignment and Solution Secondary Structure of Doubly Labelled 
Ribonuclease Sa
;
   _Citation.Status                       published
   _Citation.Type                         journal
   _Citation.Journal_abbrev               'J. Biomol. NMR'
   _Citation.Journal_name_full            .
   _Citation.Journal_volume               14
   _Citation.Journal_issue                1
   _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                   89
   _Citation.Page_last                    90
   _Citation.Year                         1999
   _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   Douglas         Laurents           .   V.     .   .   4259   1
      2   'Jose Manuel'   Perez-Canadillas   .   .      .   .   4259   1
      3   Jorge           Santoro            .   .      .   .   4259   1
      4   Manuel          Rico               .   .      .   .   4259   1
      5   David           Schell             .   .      .   .   4259   1
      6   Eric            Hebert             .   J.     .   .   4259   1
      7   C.              Pace               .   Nick   .   .   4259   1
      8   Marta           Bruix              .   .      .   .   4259   1
   stop_

   loop_
      _Citation_keyword.Keyword
      _Citation_keyword.Entry_ID
      _Citation_keyword.Citation_ID

      'Chemical shift index'   4259   1
      'NMR assignment'         4259   1
      'Protein stability'      4259   1
      'Ribonuclease Sa'        4259   1
      'Secondary Structure'    4259   1
   stop_
save_

save_citation_one
   _Citation.Sf_category                  citations
   _Citation.Sf_framecode                 citation_one
   _Citation.Entry_ID                     4259
   _Citation.ID                           2
   _Citation.Class                        'reference citation'
   _Citation.CAS_abstract_code            .
   _Citation.MEDLINE_UI_code              .
   _Citation.DOI                          .
   _Citation.PubMed_ID                    10382311
   _Citation.Full_citation
;
Laurents, DV, Perez-Ca?adillas, JM, Santoro, J, Rico, M.
Schell, D, Hebert, EJ, Pace, CN & Bruix, M.
"Sequential Assignment and Solution 
Secondary Strucuture of Doubly Labbelled 
Ribonuclease Sa" for submission to J. 
Biomol. NMR (1998)
;
   _Citation.Title
;
Sequential assignment and solution secondary structure of doubly labelled ribonuclease Sa.
;
   _Citation.Status                       published
   _Citation.Type                         journal
   _Citation.Journal_abbrev               'J. Biomol. NMR'
   _Citation.Journal_name_full            'Journal of biomolecular NMR'
   _Citation.Journal_volume               14
   _Citation.Journal_issue                1
   _Citation.Journal_ASTM                 .
   _Citation.Journal_ISSN                 0925-2738
   _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                   89
   _Citation.Page_last                    90
   _Citation.Year                         1999
   _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   'D V'   Laurents           D.   V.   .   .   4259   2
      2   'J M'   Perez-Canadillas   J.   M.   .   .   4259   2
      3   J       Santoro            J.   .    .   .   4259   2
      4   M       Rico               M.   .    .   .   4259   2
      5   D       Schell             D.   .    .   .   4259   2
      6   'E J'   Hebert             E.   J.   .   .   4259   2
      7   'C N'   Pace               C.   N.   .   .   4259   2
      8   M       Bruix              M.   .    .   .   4259   2
   stop_
save_

save_citation_two
   _Citation.Sf_category                  citations
   _Citation.Sf_framecode                 citation_two
   _Citation.Entry_ID                     4259
   _Citation.ID                           3
   _Citation.Class                        'reference citation'
   _Citation.CAS_abstract_code            .
   _Citation.MEDLINE_UI_code              .
   _Citation.DOI                          .
   _Citation.PubMed_ID                    8589602
   _Citation.Full_citation
;
Wishart, D. S., Bigam, C. G., Yao, J., Abildgaard, F., Dyson, H. J.,
Oldfield, E., Markley, J. L., and Sykes, B. D.  
J. Biomol. NMR 6, 135-140 (1995).
;
   _Citation.Title
;
1H, 13C and 15N chemical shift referencing in biomolecular NMR.
;
   _Citation.Status                       published
   _Citation.Type                         journal
   _Citation.Journal_abbrev               'J. Biomol. NMR'
   _Citation.Journal_name_full            'Journal of biomolecular NMR'
   _Citation.Journal_volume               6
   _Citation.Journal_issue                2
   _Citation.Journal_ASTM                 .
   _Citation.Journal_ISSN                 0925-2738
   _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                   135
   _Citation.Page_last                    140
   _Citation.Year                         1995
   _Citation.Details
;
A considerable degree of variability exists in the way that 1H, 13C and 15N
chemical shifts are reported and referenced for biomolecules. In this article
we explore some of the reasons for this situation and propose guidelines for
future chemical shift referencing and for conversion from many common 1H, 13C
and 15N chemical shift standards, now used in biomolecular NMR, to those
proposed here.
;

   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   'D S'   Wishart      D.   S.   .   .   4259   3
      2   'C G'   Bigam        C.   G.   .   .   4259   3
      3   J       Yao          J.   .    .   .   4259   3
      4   F       Abildgaard   F.   .    .   .   4259   3
      5   'H J'   Dyson        H.   J.   .   .   4259   3
      6   E       Oldfield     E.   .    .   .   4259   3
      7   'J L'   Markley      J.   L.   .   .   4259   3
      8   'B D'   Sykes        B.   D.   .   .   4259   3
   stop_
save_


#############################################
#  Molecular system (assembly) description  #
#############################################
save_system_RNAse-SA
   _Assembly.Sf_category                       assembly
   _Assembly.Sf_framecode                      system_RNAse-SA
   _Assembly.Entry_ID                          4259
   _Assembly.ID                                1
   _Assembly.Name                              RNAse-SA
   _Assembly.BMRB_code                         .
   _Assembly.Number_of_components              .
   _Assembly.Organic_ligands                   .
   _Assembly.Metal_ions                        .
   _Assembly.Non_standard_bonds                .
   _Assembly.Ambiguous_conformational_states   .
   _Assembly.Ambiguous_chem_comp_sites         .
   _Assembly.Molecules_in_chemical_exchange    .
   _Assembly.Paramagnetic                      no
   _Assembly.Thiol_state                       'fully oxidized'
   _Assembly.Molecular_mass                    .
   _Assembly.Enzyme_commission_number          3.1.27.3
   _Assembly.Details
;
Crystal structure is of RNAse SA at 
ph 6.7 in the presence of 22% ammonium
sulfate and 0.1 m phosphate buffer, at
room temperature. 
NMR assignments are at ph 5.5, no buffer
at 303 K
;
   _Assembly.DB_query_date                     .
   _Assembly.DB_query_revised_last_date        .

   loop_
      _Assembly_type.Type
      _Assembly_type.Entry_ID
      _Assembly_type.Assembly_ID

      monomer   4259   1
   stop_

   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   RNAse-SA   1   $RNAse-SA   .   .   .   native   .   .   .   .   .   4259   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_asym_ID_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_asym_ID_2
      _Bond.Auth_seq_ID_2
      _Bond.Auth_comp_ID_2
      _Bond.Auth_atom_ID_2
      _Bond.Entry_ID
      _Bond.Assembly_ID

      1   disulfide   single   .   1   .   1   CYS   7   7   SG   .   1   .   1   CYS   96   96   SG   .   .   .   .   .   .   .   .   .   .   .   .   4259   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   1   CYS   7    7    HG   .   .   .   .   4259   1
      2   .   1   1   CYS   96   96   HG   .   .   .   .   4259   1
   stop_

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

      RNAse-SA   abbreviation   4259   1
      RNAse-SA   system         4259   1
   stop_
save_


    ####################################
    #  Biological polymers and ligands #
    ####################################
save_RNAse-SA
   _Entity.Sf_category                       entity
   _Entity.Sf_framecode                      RNAse-SA
   _Entity.Entry_ID                          4259
   _Entity.ID                                1
   _Entity.BMRB_code                         .
   _Entity.Name                              RNAse-SA
   _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
;
DVSGTVCLSALPPEATDTLN
LIASDGPFPYSQDGVVFQNR
ESVLPTQSYGYYHEYTVITP
GARTRGTRRIITGEATQEDY
YTGDHYATFSLIDQTC
;
   _Entity.Target_identifier                 .
   _Entity.Polymer_author_defined_seq        .
   _Entity.Polymer_author_seq_details        .
   _Entity.Ambiguous_conformational_states   .
   _Entity.Ambiguous_chem_comp_sites         .
   _Entity.Nstd_monomer                      .
   _Entity.Nstd_chirality                    .
   _Entity.Nstd_linkage                      .
   _Entity.Nonpolymer_comp_ID                .
   _Entity.Nonpolymer_comp_label             .
   _Entity.Number_of_monomers                96
   _Entity.Number_of_nonpolymer_components   .
   _Entity.Paramagnetic                      .
   _Entity.Thiol_state                       .
   _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        .

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

      RNAse-SA   abbreviation   4259   1
      RNAse-SA   common         4259   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    .   ASP   .   4259   1
      2    .   VAL   .   4259   1
      3    .   SER   .   4259   1
      4    .   GLY   .   4259   1
      5    .   THR   .   4259   1
      6    .   VAL   .   4259   1
      7    .   CYS   .   4259   1
      8    .   LEU   .   4259   1
      9    .   SER   .   4259   1
      10   .   ALA   .   4259   1
      11   .   LEU   .   4259   1
      12   .   PRO   .   4259   1
      13   .   PRO   .   4259   1
      14   .   GLU   .   4259   1
      15   .   ALA   .   4259   1
      16   .   THR   .   4259   1
      17   .   ASP   .   4259   1
      18   .   THR   .   4259   1
      19   .   LEU   .   4259   1
      20   .   ASN   .   4259   1
      21   .   LEU   .   4259   1
      22   .   ILE   .   4259   1
      23   .   ALA   .   4259   1
      24   .   SER   .   4259   1
      25   .   ASP   .   4259   1
      26   .   GLY   .   4259   1
      27   .   PRO   .   4259   1
      28   .   PHE   .   4259   1
      29   .   PRO   .   4259   1
      30   .   TYR   .   4259   1
      31   .   SER   .   4259   1
      32   .   GLN   .   4259   1
      33   .   ASP   .   4259   1
      34   .   GLY   .   4259   1
      35   .   VAL   .   4259   1
      36   .   VAL   .   4259   1
      37   .   PHE   .   4259   1
      38   .   GLN   .   4259   1
      39   .   ASN   .   4259   1
      40   .   ARG   .   4259   1
      41   .   GLU   .   4259   1
      42   .   SER   .   4259   1
      43   .   VAL   .   4259   1
      44   .   LEU   .   4259   1
      45   .   PRO   .   4259   1
      46   .   THR   .   4259   1
      47   .   GLN   .   4259   1
      48   .   SER   .   4259   1
      49   .   TYR   .   4259   1
      50   .   GLY   .   4259   1
      51   .   TYR   .   4259   1
      52   .   TYR   .   4259   1
      53   .   HIS   .   4259   1
      54   .   GLU   .   4259   1
      55   .   TYR   .   4259   1
      56   .   THR   .   4259   1
      57   .   VAL   .   4259   1
      58   .   ILE   .   4259   1
      59   .   THR   .   4259   1
      60   .   PRO   .   4259   1
      61   .   GLY   .   4259   1
      62   .   ALA   .   4259   1
      63   .   ARG   .   4259   1
      64   .   THR   .   4259   1
      65   .   ARG   .   4259   1
      66   .   GLY   .   4259   1
      67   .   THR   .   4259   1
      68   .   ARG   .   4259   1
      69   .   ARG   .   4259   1
      70   .   ILE   .   4259   1
      71   .   ILE   .   4259   1
      72   .   THR   .   4259   1
      73   .   GLY   .   4259   1
      74   .   GLU   .   4259   1
      75   .   ALA   .   4259   1
      76   .   THR   .   4259   1
      77   .   GLN   .   4259   1
      78   .   GLU   .   4259   1
      79   .   ASP   .   4259   1
      80   .   TYR   .   4259   1
      81   .   TYR   .   4259   1
      82   .   THR   .   4259   1
      83   .   GLY   .   4259   1
      84   .   ASP   .   4259   1
      85   .   HIS   .   4259   1
      86   .   TYR   .   4259   1
      87   .   ALA   .   4259   1
      88   .   THR   .   4259   1
      89   .   PHE   .   4259   1
      90   .   SER   .   4259   1
      91   .   LEU   .   4259   1
      92   .   ILE   .   4259   1
      93   .   ASP   .   4259   1
      94   .   GLN   .   4259   1
      95   .   THR   .   4259   1
      96   .   CYS   .   4259   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

      .   ASP   1    1    4259   1
      .   VAL   2    2    4259   1
      .   SER   3    3    4259   1
      .   GLY   4    4    4259   1
      .   THR   5    5    4259   1
      .   VAL   6    6    4259   1
      .   CYS   7    7    4259   1
      .   LEU   8    8    4259   1
      .   SER   9    9    4259   1
      .   ALA   10   10   4259   1
      .   LEU   11   11   4259   1
      .   PRO   12   12   4259   1
      .   PRO   13   13   4259   1
      .   GLU   14   14   4259   1
      .   ALA   15   15   4259   1
      .   THR   16   16   4259   1
      .   ASP   17   17   4259   1
      .   THR   18   18   4259   1
      .   LEU   19   19   4259   1
      .   ASN   20   20   4259   1
      .   LEU   21   21   4259   1
      .   ILE   22   22   4259   1
      .   ALA   23   23   4259   1
      .   SER   24   24   4259   1
      .   ASP   25   25   4259   1
      .   GLY   26   26   4259   1
      .   PRO   27   27   4259   1
      .   PHE   28   28   4259   1
      .   PRO   29   29   4259   1
      .   TYR   30   30   4259   1
      .   SER   31   31   4259   1
      .   GLN   32   32   4259   1
      .   ASP   33   33   4259   1
      .   GLY   34   34   4259   1
      .   VAL   35   35   4259   1
      .   VAL   36   36   4259   1
      .   PHE   37   37   4259   1
      .   GLN   38   38   4259   1
      .   ASN   39   39   4259   1
      .   ARG   40   40   4259   1
      .   GLU   41   41   4259   1
      .   SER   42   42   4259   1
      .   VAL   43   43   4259   1
      .   LEU   44   44   4259   1
      .   PRO   45   45   4259   1
      .   THR   46   46   4259   1
      .   GLN   47   47   4259   1
      .   SER   48   48   4259   1
      .   TYR   49   49   4259   1
      .   GLY   50   50   4259   1
      .   TYR   51   51   4259   1
      .   TYR   52   52   4259   1
      .   HIS   53   53   4259   1
      .   GLU   54   54   4259   1
      .   TYR   55   55   4259   1
      .   THR   56   56   4259   1
      .   VAL   57   57   4259   1
      .   ILE   58   58   4259   1
      .   THR   59   59   4259   1
      .   PRO   60   60   4259   1
      .   GLY   61   61   4259   1
      .   ALA   62   62   4259   1
      .   ARG   63   63   4259   1
      .   THR   64   64   4259   1
      .   ARG   65   65   4259   1
      .   GLY   66   66   4259   1
      .   THR   67   67   4259   1
      .   ARG   68   68   4259   1
      .   ARG   69   69   4259   1
      .   ILE   70   70   4259   1
      .   ILE   71   71   4259   1
      .   THR   72   72   4259   1
      .   GLY   73   73   4259   1
      .   GLU   74   74   4259   1
      .   ALA   75   75   4259   1
      .   THR   76   76   4259   1
      .   GLN   77   77   4259   1
      .   GLU   78   78   4259   1
      .   ASP   79   79   4259   1
      .   TYR   80   80   4259   1
      .   TYR   81   81   4259   1
      .   THR   82   82   4259   1
      .   GLY   83   83   4259   1
      .   ASP   84   84   4259   1
      .   HIS   85   85   4259   1
      .   TYR   86   86   4259   1
      .   ALA   87   87   4259   1
      .   THR   88   88   4259   1
      .   PHE   89   89   4259   1
      .   SER   90   90   4259   1
      .   LEU   91   91   4259   1
      .   ILE   92   92   4259   1
      .   ASP   93   93   4259   1
      .   GLN   94   94   4259   1
      .   THR   95   95   4259   1
      .   CYS   96   96   4259   1
   stop_
save_


    ####################
    #  Natural source  #
    ####################
save_natural_source
   _Entity_natural_src_list.Sf_category    natural_source
   _Entity_natural_src_list.Sf_framecode   natural_source
   _Entity_natural_src_list.Entry_ID       4259
   _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   $RNAse-SA   .   1894   .   .   'Streptomyces aureofaciens'   'S. aureofaciens'   .   .   Eubacteria   .   Streptomyces   aureofaciens   .   .   .   .   .   .   .   .   .   .   .   .   .   4259   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       4259
   _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   $RNAse-SA   .   'recombinant technology'   'Escherichia coli'   'E. coli'   .   .   Escherichia   coli   'RY 1988'   .   .   plasmid   .   .   pEH100   .   .   .   4259   1
   stop_
save_


#####################################
#  Sample contents and methodology  #
#####################################
	 
    ########################
    #  Sample description  #
    ########################
save_sample_one
   _Sample.Sf_category                      sample
   _Sample.Sf_framecode                     sample_one
   _Sample.Entry_ID                         4259
   _Sample.ID                               1
   _Sample.Type                             solution
   _Sample.Sub_type                         .
   _Sample.Details                          .
   _Sample.Aggregate_sample_number          .
   _Sample.Solvent_system                   .
   _Sample.Preparation_date                 .
   _Sample.Preparation_expiration_date      .
   _Sample.Polycrystallization_protocol     .
   _Sample.Single_crystal_protocol          .
   _Sample.Crystal_grow_apparatus           .
   _Sample.Crystal_grow_atmosphere          .
   _Sample.Crystal_grow_details             .
   _Sample.Crystal_grow_method              .
   _Sample.Crystal_grow_method_cit_ID       .
   _Sample.Crystal_grow_pH                  .
   _Sample.Crystal_grow_pH_range            .
   _Sample.Crystal_grow_pressure            .
   _Sample.Crystal_grow_pressure_esd        .
   _Sample.Crystal_grow_seeding             .
   _Sample.Crystal_grow_seeding_cit_ID      .
   _Sample.Crystal_grow_temp                .
   _Sample.Crystal_grow_temp_details        .
   _Sample.Crystal_grow_temp_esd            .
   _Sample.Crystal_grow_time                .
   _Sample.Oriented_sample_prep_protocol    .
   _Sample.Lyophilization_cryo_protectant   .
   _Sample.Storage_protocol                 .

   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   RNAse-SA   .   .   .   1   $RNAse-SA   .   .   .    1.5   2.0   mM   .   .   .   .   4259   1
      2   H2O        .   .   .   .   .           .   .   90   .     .     %    .   .   .   .   4259   1
      3   D2O        .   .   .   .   .           .   .   10   .     .     %    .   .   .   .   4259   1
   stop_
save_

save_sample_two
   _Sample.Sf_category                      sample
   _Sample.Sf_framecode                     sample_two
   _Sample.Entry_ID                         4259
   _Sample.ID                               2
   _Sample.Type                             solution
   _Sample.Sub_type                         .
   _Sample.Details                          .
   _Sample.Aggregate_sample_number          .
   _Sample.Solvent_system                   .
   _Sample.Preparation_date                 .
   _Sample.Preparation_expiration_date      .
   _Sample.Polycrystallization_protocol     .
   _Sample.Single_crystal_protocol          .
   _Sample.Crystal_grow_apparatus           .
   _Sample.Crystal_grow_atmosphere          .
   _Sample.Crystal_grow_details             .
   _Sample.Crystal_grow_method              .
   _Sample.Crystal_grow_method_cit_ID       .
   _Sample.Crystal_grow_pH                  .
   _Sample.Crystal_grow_pH_range            .
   _Sample.Crystal_grow_pressure            .
   _Sample.Crystal_grow_pressure_esd        .
   _Sample.Crystal_grow_seeding             .
   _Sample.Crystal_grow_seeding_cit_ID      .
   _Sample.Crystal_grow_temp                .
   _Sample.Crystal_grow_temp_details        .
   _Sample.Crystal_grow_temp_esd            .
   _Sample.Crystal_grow_time                .
   _Sample.Oriented_sample_prep_protocol    .
   _Sample.Lyophilization_cryo_protectant   .
   _Sample.Storage_protocol                 .

   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   RNAse-SA   .   .   .   1   $RNAse-SA   .   .   .     1.5   2.0   mM   .   .   .   .   4259   2
      2   D2O        .   .   .   .   .           .   .   100   .     .     %    .   .   .   .   4259   2
   stop_
save_

save_sample_three
   _Sample.Sf_category                      sample
   _Sample.Sf_framecode                     sample_three
   _Sample.Entry_ID                         4259
   _Sample.ID                               3
   _Sample.Type                             solution
   _Sample.Sub_type                         .
   _Sample.Details                          .
   _Sample.Aggregate_sample_number          .
   _Sample.Solvent_system                   .
   _Sample.Preparation_date                 .
   _Sample.Preparation_expiration_date      .
   _Sample.Polycrystallization_protocol     .
   _Sample.Single_crystal_protocol          .
   _Sample.Crystal_grow_apparatus           .
   _Sample.Crystal_grow_atmosphere          .
   _Sample.Crystal_grow_details             .
   _Sample.Crystal_grow_method              .
   _Sample.Crystal_grow_method_cit_ID       .
   _Sample.Crystal_grow_pH                  .
   _Sample.Crystal_grow_pH_range            .
   _Sample.Crystal_grow_pressure            .
   _Sample.Crystal_grow_pressure_esd        .
   _Sample.Crystal_grow_seeding             .
   _Sample.Crystal_grow_seeding_cit_ID      .
   _Sample.Crystal_grow_temp                .
   _Sample.Crystal_grow_temp_details        .
   _Sample.Crystal_grow_temp_esd            .
   _Sample.Crystal_grow_time                .
   _Sample.Oriented_sample_prep_protocol    .
   _Sample.Lyophilization_cryo_protectant   .
   _Sample.Storage_protocol                 .

   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   RNAse-SA   [U-15N]   .   .   1   $RNAse-SA   .   .   .    1.5   2.0   mM   .   .   .   .   4259   3
      2   H2O        .         .   .   .   .           .   .   90   .     .     %    .   .   .   .   4259   3
      3   D2O        .         .   .   .   .           .   .   10   .     .     %    .   .   .   .   4259   3
   stop_
save_

save_sample_four
   _Sample.Sf_category                      sample
   _Sample.Sf_framecode                     sample_four
   _Sample.Entry_ID                         4259
   _Sample.ID                               4
   _Sample.Type                             solution
   _Sample.Sub_type                         .
   _Sample.Details                          .
   _Sample.Aggregate_sample_number          .
   _Sample.Solvent_system                   .
   _Sample.Preparation_date                 .
   _Sample.Preparation_expiration_date      .
   _Sample.Polycrystallization_protocol     .
   _Sample.Single_crystal_protocol          .
   _Sample.Crystal_grow_apparatus           .
   _Sample.Crystal_grow_atmosphere          .
   _Sample.Crystal_grow_details             .
   _Sample.Crystal_grow_method              .
   _Sample.Crystal_grow_method_cit_ID       .
   _Sample.Crystal_grow_pH                  .
   _Sample.Crystal_grow_pH_range            .
   _Sample.Crystal_grow_pressure            .
   _Sample.Crystal_grow_pressure_esd        .
   _Sample.Crystal_grow_seeding             .
   _Sample.Crystal_grow_seeding_cit_ID      .
   _Sample.Crystal_grow_temp                .
   _Sample.Crystal_grow_temp_details        .
   _Sample.Crystal_grow_temp_esd            .
   _Sample.Crystal_grow_time                .
   _Sample.Oriented_sample_prep_protocol    .
   _Sample.Lyophilization_cryo_protectant   .
   _Sample.Storage_protocol                 .

   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   RNAse-SA   '[U-15N; 13C]'   .   .   1   $RNAse-SA   .   .   .    1.5   2.0   mM   .   .   .   .   4259   4
      2   H2O        .                .   .   .   .           .   .   90   .     .     %    .   .   .   .   4259   4
      3   D2O        .                .   .   .   .           .   .   10   .     .     %    .   .   .   .   4259   4
   stop_
save_


#######################
#  Sample conditions  #
#######################
save_sample_conditions_one
   _Sample_condition_list.Sf_category    sample_conditions
   _Sample_condition_list.Sf_framecode   sample_conditions_one
   _Sample_condition_list.Entry_ID       4259
   _Sample_condition_list.ID             1
   _Sample_condition_list.Details
;
These are the conditions used for
samples 1, 3 AND 4, where the solvent
was H2O/D2O (90%/10%) by volume.
The pH* was adjusted without buffer 
using small amounts of HCl or NaOH.
There were no salts.
;

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

      pH*           5.5     0.1   n/a   4259   1
      temperature   303.2   0.1   K     4259   1
   stop_
save_

save_sample_conditions_two
   _Sample_condition_list.Sf_category    sample_conditions
   _Sample_condition_list.Sf_framecode   sample_conditions_two
   _Sample_condition_list.Entry_ID       4259
   _Sample_condition_list.ID             2
   _Sample_condition_list.Details
;
These are the conditions used for
sample 2, where the solvent
was D2O.
The pH* was adjusted without buffer 
using small amounts of HCl or NaOH.
There were no salts.
;

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

      pH*           5.5   0.1   n/a   4259   2
      temperature   303   0.1   K     4259   2
   stop_
save_


############################
#  Computer software used  #
############################
save_software_one
   _Software.Sf_category    software
   _Software.Sf_framecode   software_one
   _Software.Entry_ID       4259
   _Software.ID             1
   _Software.Type           .
   _Software.Name           ANSIG
   _Software.Version        3.3
   _Software.DOI            .
   _Software.Details        .

   loop_
      _Task.Task
      _Task.Entry_ID
      _Task.Software_ID

      'Used for assigning the spectra. Automatic peak picking in 2D'   4259   1
   stop_
save_


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

    ##################################
    #  NMR Spectrometer definitions  #
    ##################################
save_NMR_spectrometer_one
   _NMR_spectrometer.Sf_category      NMR_spectrometer
   _NMR_spectrometer.Sf_framecode     NMR_spectrometer_one
   _NMR_spectrometer.Entry_ID         4259
   _NMR_spectrometer.ID               1
   _NMR_spectrometer.Details          .
   _NMR_spectrometer.Manufacturer     Bruker
   _NMR_spectrometer.Model            AMX
   _NMR_spectrometer.Serial_number    .
   _NMR_spectrometer.Field_strength   600
save_

save_spectrometer_list
   _NMR_spectrometer_list.Sf_category    NMR_spectrometer_list
   _NMR_spectrometer_list.Sf_framecode   spectrometer_list
   _NMR_spectrometer_list.Entry_ID       4259
   _NMR_spectrometer_list.ID             1

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

      1   NMR_spectrometer_one   Bruker   AMX   .   600   .   .   .   4259   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       4259
   _Experiment_list.ID             1
   _Experiment_list.Details
;
The 2D COSY, TOCSY and NOESY spectrum
were recorded in H2O/D2O and in D2O
;

   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   COSY             .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   4259   1
      2   NOESY            .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   4259   1
      3   TOCSY            .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   4259   1
      4   '1H-15N TOCSY'   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   4259   1
      5   '1H-15N NOESY'   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   4259   1
      6   HNCA             .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   4259   1
      7   HN(CO)CA         .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   4259   1
      8   HNCO             .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   4259   1
   stop_
save_


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

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

	################################
	#  Chemical shift referencing  #
	################################
save_chemical_shift_reference
   _Chem_shift_reference.Sf_category    chem_shift_reference
   _Chem_shift_reference.Sf_framecode   chemical_shift_reference
   _Chem_shift_reference.Entry_ID       4259
   _Chem_shift_reference.ID             1
   _Chem_shift_reference.Details        .

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

      C   13   DSS   'methyl protons'   .   .   .   .   ppm   0.00   .          indirect   0.251449530   .   .   .   .   .   4259   1
      H   1    TSP   'methyl protons'   .   .   .   .   ppm   0.00   internal   direct     .             .   .   .   .   .   4259   1
      N   15   DSS   'methyl protons'   .   .   .   .   ppm   0.00   .          indirect   0.101329118   .   .   .   .   .   4259   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
   _Assigned_chem_shift_list.Sf_category                   assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                  assigned_chemical_shifts
   _Assigned_chem_shift_list.Entry_ID                      4259
   _Assigned_chem_shift_list.ID                            1
   _Assigned_chem_shift_list.Sample_condition_list_ID      1
   _Assigned_chem_shift_list.Sample_condition_list_label   $sample_conditions_one
   _Assigned_chem_shift_list.Chem_shift_reference_ID       1
   _Assigned_chem_shift_list.Chem_shift_reference_label    $chemical_shift_reference
   _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   COSY    1   $sample_one     .   4259   1
      2   NOESY   2   $sample_two     .   4259   1
      3   TOCSY   3   $sample_three   .   4259   1
   stop_

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

      1     .   1   1   1    1    ASP   HA     H   1    4.38    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      2     .   1   1   1    1    ASP   HB2    H   1    2.85    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      3     .   1   1   1    1    ASP   HB3    H   1    2.70    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      4     .   1   1   1    1    ASP   C      C   13   167.7   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      5     .   1   1   1    1    ASP   CA     C   13   53.5    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      6     .   1   1   2    2    VAL   H      H   1    9.00    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      7     .   1   1   2    2    VAL   HA     H   1    4.06    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      8     .   1   1   2    2    VAL   HB     H   1    2.27    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      9     .   1   1   2    2    VAL   HG11   H   1    1.27    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      10    .   1   1   2    2    VAL   HG12   H   1    1.27    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      11    .   1   1   2    2    VAL   HG13   H   1    1.27    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      12    .   1   1   2    2    VAL   HG21   H   1    1.02    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      13    .   1   1   2    2    VAL   HG22   H   1    1.02    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      14    .   1   1   2    2    VAL   HG23   H   1    1.02    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      15    .   1   1   2    2    VAL   C      C   13   175.9   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      16    .   1   1   2    2    VAL   CA     C   13   63.0    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      17    .   1   1   2    2    VAL   N      N   15   121.7   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      18    .   1   1   3    3    SER   H      H   1    9.28    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      19    .   1   1   3    3    SER   HA     H   1    4.60    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      20    .   1   1   3    3    SER   HB2    H   1    4.10    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      21    .   1   1   3    3    SER   HB3    H   1    3.95    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      22    .   1   1   3    3    SER   C      C   13   171.9   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      23    .   1   1   3    3    SER   CA     C   13   59.2    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      24    .   1   1   3    3    SER   N      N   15   123.1   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      25    .   1   1   4    4    GLY   H      H   1    7.75    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      26    .   1   1   4    4    GLY   HA2    H   1    4.28    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      27    .   1   1   4    4    GLY   HA3    H   1    4.08    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      28    .   1   1   4    4    GLY   C      C   13   167.6   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      29    .   1   1   4    4    GLY   CA     C   13   45.3    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      30    .   1   1   4    4    GLY   N      N   15   109.4   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      31    .   1   1   5    5    THR   H      H   1    8.34    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      32    .   1   1   5    5    THR   HA     H   1    5.56    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      33    .   1   1   5    5    THR   HB     H   1    4.02    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      34    .   1   1   5    5    THR   HG21   H   1    1.22    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      35    .   1   1   5    5    THR   HG22   H   1    1.22    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      36    .   1   1   5    5    THR   HG23   H   1    1.22    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      37    .   1   1   5    5    THR   C      C   13   171.2   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      38    .   1   1   5    5    THR   CA     C   13   60.6    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      39    .   1   1   5    5    THR   N      N   15   115.3   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      40    .   1   1   6    6    VAL   H      H   1    9.17    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      41    .   1   1   6    6    VAL   HA     H   1    4.59    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      42    .   1   1   6    6    VAL   HB     H   1    1.89    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      43    .   1   1   6    6    VAL   HG11   H   1    0.95    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      44    .   1   1   6    6    VAL   HG12   H   1    0.95    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      45    .   1   1   6    6    VAL   HG13   H   1    0.95    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      46    .   1   1   6    6    VAL   HG21   H   1    0.83    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      47    .   1   1   6    6    VAL   HG22   H   1    0.83    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      48    .   1   1   6    6    VAL   HG23   H   1    0.83    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      49    .   1   1   6    6    VAL   C      C   13   170.5   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      50    .   1   1   6    6    VAL   CA     C   13   59.0    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      51    .   1   1   6    6    VAL   N      N   15   123.5   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      52    .   1   1   7    7    CYS   H      H   1    8.83    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      53    .   1   1   7    7    CYS   HA     H   1    4.90    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      54    .   1   1   7    7    CYS   HB2    H   1    3.31    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      55    .   1   1   7    7    CYS   HB3    H   1    2.62    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      56    .   1   1   7    7    CYS   C      C   13   174.9   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      57    .   1   1   7    7    CYS   CA     C   13   56.0    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      58    .   1   1   7    7    CYS   N      N   15   126.1   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      59    .   1   1   8    8    LEU   H      H   1    8.52    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      60    .   1   1   8    8    LEU   HA     H   1    3.84    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      61    .   1   1   8    8    LEU   HB2    H   1    2.05    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      62    .   1   1   8    8    LEU   HB3    H   1    1.25    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      63    .   1   1   8    8    LEU   HG     H   1    1.45    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      64    .   1   1   8    8    LEU   HD11   H   1    0.80    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      65    .   1   1   8    8    LEU   HD12   H   1    0.80    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      66    .   1   1   8    8    LEU   HD13   H   1    0.80    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      67    .   1   1   8    8    LEU   HD21   H   1    0.91    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      68    .   1   1   8    8    LEU   HD22   H   1    0.91    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      69    .   1   1   8    8    LEU   HD23   H   1    0.91    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      70    .   1   1   8    8    LEU   C      C   13   181.0   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      71    .   1   1   8    8    LEU   CA     C   13   58.1    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      72    .   1   1   8    8    LEU   N      N   15   126.6   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      73    .   1   1   9    9    SER   H      H   1    9.20    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      74    .   1   1   9    9    SER   HA     H   1    4.11    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      75    .   1   1   9    9    SER   HB2    H   1    3.93    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      76    .   1   1   9    9    SER   HB3    H   1    3.93    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      77    .   1   1   9    9    SER   C      C   13   173.0   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      78    .   1   1   9    9    SER   CA     C   13   61.0    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      79    .   1   1   9    9    SER   N      N   15   113.6   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      80    .   1   1   10   10   ALA   H      H   1    7.56    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      81    .   1   1   10   10   ALA   HA     H   1    4.42    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      82    .   1   1   10   10   ALA   HB1    H   1    1.43    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      83    .   1   1   10   10   ALA   HB2    H   1    1.43    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      84    .   1   1   10   10   ALA   HB3    H   1    1.43    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      85    .   1   1   10   10   ALA   C      C   13   178.7   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      86    .   1   1   10   10   ALA   CA     C   13   51.7    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      87    .   1   1   10   10   ALA   N      N   15   124.0   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      88    .   1   1   11   11   LEU   H      H   1    7.31    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      89    .   1   1   11   11   LEU   HA     H   1    4.38    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      90    .   1   1   11   11   LEU   HB2    H   1    1.76    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      91    .   1   1   11   11   LEU   HB3    H   1    0.87    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      92    .   1   1   11   11   LEU   HG     H   1    1.64    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      93    .   1   1   11   11   LEU   HD11   H   1    0.43    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      94    .   1   1   11   11   LEU   HD12   H   1    0.43    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      95    .   1   1   11   11   LEU   HD13   H   1    0.43    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      96    .   1   1   11   11   LEU   HD21   H   1    0.08    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      97    .   1   1   11   11   LEU   HD22   H   1    0.08    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      98    .   1   1   11   11   LEU   HD23   H   1    0.08    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      99    .   1   1   11   11   LEU   CA     C   13   52.2    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      100   .   1   1   11   11   LEU   N      N   15   120.6   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      101   .   1   1   12   12   PRO   HA     H   1    4.72    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      102   .   1   1   12   12   PRO   HB2    H   1    2.70    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      103   .   1   1   12   12   PRO   HB3    H   1    1.95    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      104   .   1   1   12   12   PRO   HG2    H   1    2.15    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      105   .   1   1   12   12   PRO   HG3    H   1    1.62    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      106   .   1   1   12   12   PRO   HD2    H   1    3.70    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      107   .   1   1   12   12   PRO   HD3    H   1    3.20    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      108   .   1   1   13   13   PRO   HA     H   1    4.37    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      109   .   1   1   13   13   PRO   HB2    H   1    2.38    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      110   .   1   1   13   13   PRO   HB3    H   1    2.23    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      111   .   1   1   13   13   PRO   HG2    H   1    2.14    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      112   .   1   1   13   13   PRO   HG3    H   1    2.02    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      113   .   1   1   13   13   PRO   HD2    H   1    3.98    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      114   .   1   1   13   13   PRO   HD3    H   1    3.85    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      115   .   1   1   13   13   PRO   C      C   13   179.7   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      116   .   1   1   13   13   PRO   CA     C   13   65.4    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      117   .   1   1   14   14   GLU   H      H   1    8.60    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      118   .   1   1   14   14   GLU   HA     H   1    4.24    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      119   .   1   1   14   14   GLU   HB2    H   1    2.04    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      120   .   1   1   14   14   GLU   HB3    H   1    1.95    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      121   .   1   1   14   14   GLU   HG2    H   1    2.36    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      122   .   1   1   14   14   GLU   HG3    H   1    2.18    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      123   .   1   1   14   14   GLU   C      C   13   181.2   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      124   .   1   1   14   14   GLU   CA     C   13   60.7    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      125   .   1   1   14   14   GLU   N      N   15   116.3   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      126   .   1   1   15   15   ALA   H      H   1    8.49    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      127   .   1   1   15   15   ALA   HA     H   1    4.20    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      128   .   1   1   15   15   ALA   HB1    H   1    1.38    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      129   .   1   1   15   15   ALA   HB2    H   1    1.38    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      130   .   1   1   15   15   ALA   HB3    H   1    1.38    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      131   .   1   1   15   15   ALA   C      C   13   181.2   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      132   .   1   1   15   15   ALA   CA     C   13   60.7    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      133   .   1   1   15   15   ALA   N      N   15   121.7   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      134   .   1   1   16   16   THR   H      H   1    7.15    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      135   .   1   1   16   16   THR   HA     H   1    3.83    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      136   .   1   1   16   16   THR   HB     H   1    4.42    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      137   .   1   1   16   16   THR   HG21   H   1    1.20    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      138   .   1   1   16   16   THR   HG22   H   1    1.20    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      139   .   1   1   16   16   THR   HG23   H   1    1.20    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      140   .   1   1   16   16   THR   C      C   13   174.9   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      141   .   1   1   16   16   THR   CA     C   13   67.6    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      142   .   1   1   16   16   THR   N      N   15   115.0   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      143   .   1   1   17   17   ASP   H      H   1    7.07    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      144   .   1   1   17   17   ASP   HA     H   1    4.42    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      145   .   1   1   17   17   ASP   HB2    H   1    3.07    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      146   .   1   1   17   17   ASP   HB3    H   1    2.81    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      147   .   1   1   17   17   ASP   C      C   13   180.9   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      148   .   1   1   17   17   ASP   CA     C   13   57.7    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      149   .   1   1   17   17   ASP   N      N   15   120.7   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      150   .   1   1   18   18   THR   H      H   1    8.25    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      151   .   1   1   18   18   THR   HA     H   1    4.23    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      152   .   1   1   18   18   THR   HB     H   1    4.00    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      153   .   1   1   18   18   THR   C      C   13   174.6   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      154   .   1   1   18   18   THR   CA     C   13   69.0    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      155   .   1   1   18   18   THR   N      N   15   116.8   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      156   .   1   1   19   19   LEU   H      H   1    7.94    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      157   .   1   1   19   19   LEU   HA     H   1    3.93    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      158   .   1   1   19   19   LEU   HB2    H   1    1.97    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      159   .   1   1   19   19   LEU   HB3    H   1    1.48    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      160   .   1   1   19   19   LEU   HG     H   1    1.75    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      161   .   1   1   19   19   LEU   HD11   H   1    0.79    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      162   .   1   1   19   19   LEU   HD12   H   1    0.79    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      163   .   1   1   19   19   LEU   HD13   H   1    0.79    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      164   .   1   1   19   19   LEU   HD21   H   1    0.76    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      165   .   1   1   19   19   LEU   HD22   H   1    0.76    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      166   .   1   1   19   19   LEU   HD23   H   1    0.76    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      167   .   1   1   19   19   LEU   C      C   13   182.9   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      168   .   1   1   19   19   LEU   CA     C   13   58.6    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      169   .   1   1   19   19   LEU   N      N   15   121.1   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      170   .   1   1   20   20   ASN   H      H   1    8.32    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      171   .   1   1   20   20   ASN   HA     H   1    4.53    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      172   .   1   1   20   20   ASN   HB2    H   1    3.04    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      173   .   1   1   20   20   ASN   HB3    H   1    2.82    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      174   .   1   1   20   20   ASN   HD21   H   1    7.65    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      175   .   1   1   20   20   ASN   HD22   H   1    6.87    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      176   .   1   1   20   20   ASN   C      C   13   179.0   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      177   .   1   1   20   20   ASN   CA     C   13   55.9    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      178   .   1   1   20   20   ASN   N      N   15   119.6   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      179   .   1   1   20   20   ASN   ND2    N   15   112.2   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      180   .   1   1   21   21   LEU   H      H   1    8.12    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      181   .   1   1   21   21   LEU   HA     H   1    4.30    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      182   .   1   1   21   21   LEU   HB2    H   1    2.19    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      183   .   1   1   21   21   LEU   HB3    H   1    2.19    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      184   .   1   1   21   21   LEU   HG     H   1    1.82    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      185   .   1   1   21   21   LEU   HD11   H   1    1.07    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      186   .   1   1   21   21   LEU   HD12   H   1    1.07    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      187   .   1   1   21   21   LEU   HD13   H   1    1.07    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      188   .   1   1   21   21   LEU   HD21   H   1    0.68    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      189   .   1   1   21   21   LEU   HD22   H   1    0.68    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      190   .   1   1   21   21   LEU   HD23   H   1    0.68    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      191   .   1   1   21   21   LEU   C      C   13   183.0   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      192   .   1   1   21   21   LEU   CA     C   13   56.8    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      193   .   1   1   21   21   LEU   N      N   15   122.4   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      194   .   1   1   22   22   ILE   H      H   1    8.72    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      195   .   1   1   22   22   ILE   HA     H   1    3.58    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      196   .   1   1   22   22   ILE   HB     H   1    1.73    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      197   .   1   1   22   22   ILE   HG12   H   1    1.44    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      198   .   1   1   22   22   ILE   HG13   H   1    -0.80   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      199   .   1   1   22   22   ILE   HG21   H   1    0.71    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      200   .   1   1   22   22   ILE   HG22   H   1    0.71    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      201   .   1   1   22   22   ILE   HG23   H   1    0.71    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      202   .   1   1   22   22   ILE   HD11   H   1    0.30    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      203   .   1   1   22   22   ILE   HD12   H   1    0.30    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      204   .   1   1   22   22   ILE   HD13   H   1    0.30    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      205   .   1   1   22   22   ILE   C      C   13   182.7   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      206   .   1   1   22   22   ILE   CA     C   13   66.7    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      207   .   1   1   22   22   ILE   N      N   15   122.0   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      208   .   1   1   23   23   ALA   H      H   1    7.62    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      209   .   1   1   23   23   ALA   HA     H   1    4.21    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      210   .   1   1   23   23   ALA   HB1    H   1    1.58    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      211   .   1   1   23   23   ALA   HB2    H   1    1.58    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      212   .   1   1   23   23   ALA   HB3    H   1    1.58    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      213   .   1   1   23   23   ALA   C      C   13   180.8   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      214   .   1   1   23   23   ALA   CA     C   13   55.7    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      215   .   1   1   23   23   ALA   N      N   15   121.1   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      216   .   1   1   24   24   SER   H      H   1    7.80    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      217   .   1   1   24   24   SER   HA     H   1    4.46    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      218   .   1   1   24   24   SER   HB2    H   1    4.28    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      219   .   1   1   24   24   SER   HB3    H   1    3.70    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      220   .   1   1   24   24   SER   C      C   13   171.0   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      221   .   1   1   24   24   SER   CA     C   13   58.4    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      222   .   1   1   24   24   SER   N      N   15   111.6   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      223   .   1   1   25   25   ASP   H      H   1    8.03    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      224   .   1   1   25   25   ASP   HA     H   1    4.46    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      225   .   1   1   25   25   ASP   HB2    H   1    3.24    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      226   .   1   1   25   25   ASP   HB3    H   1    2.68    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      227   .   1   1   25   25   ASP   C      C   13   172.9   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      228   .   1   1   25   25   ASP   CA     C   13   55.1    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      229   .   1   1   25   25   ASP   N      N   15   121.0   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      230   .   1   1   26   26   GLY   H      H   1    8.57    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      231   .   1   1   26   26   GLY   HA2    H   1    3.46    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      232   .   1   1   26   26   GLY   HA3    H   1    1.71    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      233   .   1   1   26   26   GLY   CA     C   13   42.8    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      234   .   1   1   26   26   GLY   N      N   15   107.7   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      235   .   1   1   27   27   PRO   HA     H   1    4.44    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      236   .   1   1   27   27   PRO   HB2    H   1    2.37    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      237   .   1   1   27   27   PRO   HB3    H   1    1.96    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      238   .   1   1   27   27   PRO   HG2    H   1    1.89    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      239   .   1   1   27   27   PRO   HG3    H   1    1.85    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      240   .   1   1   27   27   PRO   HD2    H   1    3.34    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      241   .   1   1   27   27   PRO   HD3    H   1    3.47    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      242   .   1   1   27   27   PRO   C      C   13   173.7   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      243   .   1   1   27   27   PRO   CA     C   13   62.3    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      244   .   1   1   28   28   PHE   H      H   1    9.00    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      245   .   1   1   28   28   PHE   HA     H   1    5.05    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      246   .   1   1   28   28   PHE   HB2    H   1    3.78    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      247   .   1   1   28   28   PHE   HB3    H   1    2.99    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      248   .   1   1   28   28   PHE   HD1    H   1    7.52    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      249   .   1   1   28   28   PHE   HD2    H   1    7.52    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      250   .   1   1   28   28   PHE   HE1    H   1    7.19    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      251   .   1   1   28   28   PHE   HE2    H   1    7.19    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      252   .   1   1   28   28   PHE   HZ     H   1    7.31    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      253   .   1   1   28   28   PHE   CA     C   13   56.7    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      254   .   1   1   28   28   PHE   N      N   15   121.3   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      255   .   1   1   29   29   PRO   HA     H   1    4.36    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      256   .   1   1   29   29   PRO   HB2    H   1    2.45    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      257   .   1   1   29   29   PRO   HB3    H   1    2.35    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      258   .   1   1   29   29   PRO   HG2    H   1    2.22    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      259   .   1   1   29   29   PRO   HG3    H   1    2.22    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      260   .   1   1   29   29   PRO   HD2    H   1    4.51    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      261   .   1   1   29   29   PRO   HD3    H   1    4.55    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      262   .   1   1   29   29   PRO   C      C   13   175.1   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      263   .   1   1   29   29   PRO   CA     C   13   64.9    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      264   .   1   1   30   30   TYR   H      H   1    7.63    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      265   .   1   1   30   30   TYR   HA     H   1    4.93    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      266   .   1   1   30   30   TYR   HB2    H   1    3.40    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      267   .   1   1   30   30   TYR   HB3    H   1    2.73    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      268   .   1   1   30   30   TYR   HD1    H   1    7.38    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      269   .   1   1   30   30   TYR   HD2    H   1    7.38    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      270   .   1   1   30   30   TYR   HE1    H   1    6.80    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      271   .   1   1   30   30   TYR   HE2    H   1    6.80    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      272   .   1   1   30   30   TYR   C      C   13   177.7   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      273   .   1   1   30   30   TYR   CA     C   13   57.3    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      274   .   1   1   30   30   TYR   N      N   15   115.7   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      275   .   1   1   31   31   SER   H      H   1    9.25    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      276   .   1   1   31   31   SER   HA     H   1    4.28    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      277   .   1   1   31   31   SER   C      C   13   174.0   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      278   .   1   1   31   31   SER   CA     C   13   61.1    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      279   .   1   1   31   31   SER   N      N   15   124.0   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      280   .   1   1   32   32   GLN   H      H   1    8.13    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      281   .   1   1   32   32   GLN   HA     H   1    4.14    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      282   .   1   1   32   32   GLN   HB2    H   1    2.21    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      283   .   1   1   32   32   GLN   HB3    H   1    1.62    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      284   .   1   1   32   32   GLN   HG2    H   1    2.51    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      285   .   1   1   32   32   GLN   HG3    H   1    2.38    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      286   .   1   1   32   32   GLN   HE21   H   1    7.42    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      287   .   1   1   32   32   GLN   HE22   H   1    6.77    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      288   .   1   1   32   32   GLN   C      C   13   173.5   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      289   .   1   1   32   32   GLN   CA     C   13   57.1    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      290   .   1   1   32   32   GLN   N      N   15   117.6   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      291   .   1   1   32   32   GLN   NE2    N   15   111.1   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      292   .   1   1   33   33   ASP   H      H   1    7.52    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      293   .   1   1   33   33   ASP   HA     H   1    4.52    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      294   .   1   1   33   33   ASP   HB2    H   1    3.00    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      295   .   1   1   33   33   ASP   HB3    H   1    1.99    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      296   .   1   1   33   33   ASP   C      C   13   175.9   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      297   .   1   1   33   33   ASP   CA     C   13   56.4    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      298   .   1   1   33   33   ASP   N      N   15   120.0   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      299   .   1   1   34   34   GLY   H      H   1    8.67    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      300   .   1   1   34   34   GLY   HA2    H   1    3.94    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      301   .   1   1   34   34   GLY   HA3    H   1    2.62    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      302   .   1   1   34   34   GLY   C      C   13   171.8   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      303   .   1   1   34   34   GLY   CA     C   13   44.8    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      304   .   1   1   34   34   GLY   N      N   15   112.8   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      305   .   1   1   35   35   VAL   H      H   1    7.36    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      306   .   1   1   35   35   VAL   HA     H   1    4.27    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      307   .   1   1   35   35   VAL   HB     H   1    2.35    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      308   .   1   1   35   35   VAL   HG11   H   1    1.08    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      309   .   1   1   35   35   VAL   HG12   H   1    1.08    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      310   .   1   1   35   35   VAL   HG13   H   1    1.08    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      311   .   1   1   35   35   VAL   HG21   H   1    1.04    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      312   .   1   1   35   35   VAL   HG22   H   1    1.04    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      313   .   1   1   35   35   VAL   HG23   H   1    1.04    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      314   .   1   1   35   35   VAL   C      C   13   173.6   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      315   .   1   1   35   35   VAL   CA     C   13   61.7    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      316   .   1   1   35   35   VAL   N      N   15   117.6   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      317   .   1   1   36   36   VAL   H      H   1    8.14    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      318   .   1   1   36   36   VAL   HA     H   1    3.65    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      319   .   1   1   36   36   VAL   HB     H   1    1.75    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      320   .   1   1   36   36   VAL   HG11   H   1    0.79    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      321   .   1   1   36   36   VAL   HG12   H   1    0.79    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      322   .   1   1   36   36   VAL   HG13   H   1    0.79    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      323   .   1   1   36   36   VAL   HG21   H   1    0.15    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      324   .   1   1   36   36   VAL   HG22   H   1    0.15    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      325   .   1   1   36   36   VAL   HG23   H   1    0.15    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      326   .   1   1   36   36   VAL   C      C   13   175.8   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      327   .   1   1   36   36   VAL   CA     C   13   63.4    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      328   .   1   1   36   36   VAL   N      N   15   122.2   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      329   .   1   1   37   37   PHE   H      H   1    8.14    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      330   .   1   1   37   37   PHE   HA     H   1    4.81    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      331   .   1   1   37   37   PHE   HB2    H   1    2.69    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      332   .   1   1   37   37   PHE   HB3    H   1    2.64    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      333   .   1   1   37   37   PHE   HD1    H   1    6.86    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      334   .   1   1   37   37   PHE   HD2    H   1    6.86    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      335   .   1   1   37   37   PHE   HE1    H   1    6.68    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      336   .   1   1   37   37   PHE   HE2    H   1    6.68    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      337   .   1   1   37   37   PHE   HZ     H   1    7.29    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      338   .   1   1   37   37   PHE   C      C   13   171.9   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      339   .   1   1   37   37   PHE   CA     C   13   55.6    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      340   .   1   1   37   37   PHE   N      N   15   129.2   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      341   .   1   1   38   38   GLN   H      H   1    8.77    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      342   .   1   1   38   38   GLN   HA     H   1    3.69    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      343   .   1   1   38   38   GLN   HB2    H   1    1.98    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      344   .   1   1   38   38   GLN   HB3    H   1    1.76    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      345   .   1   1   38   38   GLN   HG2    H   1    2.40    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      346   .   1   1   38   38   GLN   HG3    H   1    2.27    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      347   .   1   1   38   38   GLN   HE21   H   1    7.66    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      348   .   1   1   38   38   GLN   HE22   H   1    6.91    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      349   .   1   1   38   38   GLN   C      C   13   174.0   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      350   .   1   1   38   38   GLN   CA     C   13   57.4    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      351   .   1   1   38   38   GLN   N      N   15   126.5   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      352   .   1   1   38   38   GLN   NE2    N   15   112.1   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      353   .   1   1   39   39   ASN   H      H   1    5.48    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      354   .   1   1   39   39   ASN   HA     H   1    3.74    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      355   .   1   1   39   39   ASN   HB2    H   1    3.35    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      356   .   1   1   39   39   ASN   HB3    H   1    1.60    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      357   .   1   1   39   39   ASN   HD21   H   1    8.21    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      358   .   1   1   39   39   ASN   HD22   H   1    6.99    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      359   .   1   1   39   39   ASN   C      C   13   177.4   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      360   .   1   1   39   39   ASN   CA     C   13   53.3    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      361   .   1   1   39   39   ASN   N      N   15   113.6   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      362   .   1   1   39   39   ASN   ND2    N   15   112.7   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      363   .   1   1   40   40   ARG   H      H   1    8.39    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      364   .   1   1   40   40   ARG   HA     H   1    3.81    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      365   .   1   1   40   40   ARG   HB2    H   1    1.69    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      366   .   1   1   40   40   ARG   HB3    H   1    1.63    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      367   .   1   1   40   40   ARG   HG2    H   1    1.51    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      368   .   1   1   40   40   ARG   HG3    H   1    1.51    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      369   .   1   1   40   40   ARG   HD2    H   1    3.12    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      370   .   1   1   40   40   ARG   HD3    H   1    3.12    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      371   .   1   1   40   40   ARG   HE     H   1    7.17    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      372   .   1   1   40   40   ARG   C      C   13   177.6   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      373   .   1   1   40   40   ARG   CA     C   13   59.0    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      374   .   1   1   40   40   ARG   N      N   15   118.5   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      375   .   1   1   41   41   GLU   H      H   1    8.18    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      376   .   1   1   41   41   GLU   HA     H   1    4.33    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      377   .   1   1   41   41   GLU   HB2    H   1    2.04    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      378   .   1   1   41   41   GLU   HB3    H   1    2.02    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      379   .   1   1   41   41   GLU   HG2    H   1    2.26    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      380   .   1   1   41   41   GLU   HG3    H   1    2.19    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      381   .   1   1   41   41   GLU   C      C   13   174.0   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      382   .   1   1   41   41   GLU   CA     C   13   56.5    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      383   .   1   1   41   41   GLU   N      N   15   116.5   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      384   .   1   1   42   42   SER   H      H   1    7.81    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      385   .   1   1   42   42   SER   HA     H   1    4.09    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      386   .   1   1   42   42   SER   HB2    H   1    3.91    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      387   .   1   1   42   42   SER   HB3    H   1    3.70    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      388   .   1   1   42   42   SER   C      C   13   170.3   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      389   .   1   1   42   42   SER   CA     C   13   59.0    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      390   .   1   1   42   42   SER   N      N   15   110.7   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      391   .   1   1   43   43   VAL   H      H   1    7.84    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      392   .   1   1   43   43   VAL   HA     H   1    3.67    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      393   .   1   1   43   43   VAL   HB     H   1    1.88    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      394   .   1   1   43   43   VAL   HG11   H   1    1.08    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      395   .   1   1   43   43   VAL   HG12   H   1    1.08    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      396   .   1   1   43   43   VAL   HG13   H   1    1.08    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      397   .   1   1   43   43   VAL   HG21   H   1    1.08    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      398   .   1   1   43   43   VAL   HG22   H   1    1.08    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      399   .   1   1   43   43   VAL   HG23   H   1    1.08    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      400   .   1   1   43   43   VAL   C      C   13   179.5   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      401   .   1   1   43   43   VAL   CA     C   13   65.4    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      402   .   1   1   43   43   VAL   N      N   15   118.2   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      403   .   1   1   44   44   LEU   H      H   1    7.65    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      404   .   1   1   44   44   LEU   HA     H   1    4.13    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      405   .   1   1   44   44   LEU   HB2    H   1    0.76    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      406   .   1   1   44   44   LEU   HB3    H   1    0.61    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      407   .   1   1   44   44   LEU   HG     H   1    0.23    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      408   .   1   1   44   44   LEU   HD11   H   1    -0.74   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      409   .   1   1   44   44   LEU   HD12   H   1    -0.74   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      410   .   1   1   44   44   LEU   HD13   H   1    -0.74   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      411   .   1   1   44   44   LEU   HD21   H   1    -0.76   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      412   .   1   1   44   44   LEU   HD22   H   1    -0.76   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      413   .   1   1   44   44   LEU   HD23   H   1    -0.76   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      414   .   1   1   44   44   LEU   CA     C   13   52.2    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      415   .   1   1   44   44   LEU   N      N   15   118     .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      416   .   1   1   45   45   PRO   HA     H   1    4.25    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      417   .   1   1   45   45   PRO   HB2    H   1    2.20    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      418   .   1   1   45   45   PRO   HB3    H   1    1.60    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      419   .   1   1   45   45   PRO   HG2    H   1    2.34    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      420   .   1   1   45   45   PRO   HG3    H   1    2.06    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      421   .   1   1   45   45   PRO   HD2    H   1    3.44    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      422   .   1   1   45   45   PRO   HD3    H   1    3.44    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      423   .   1   1   45   45   PRO   C      C   13   178.5   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      424   .   1   1   45   45   PRO   CA     C   13   63.4    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      425   .   1   1   46   46   THR   H      H   1    8.63    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      426   .   1   1   46   46   THR   HA     H   1    3.95    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      427   .   1   1   46   46   THR   HB     H   1    3.93    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      428   .   1   1   46   46   THR   HG21   H   1    1.18    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      429   .   1   1   46   46   THR   HG22   H   1    1.18    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      430   .   1   1   46   46   THR   HG23   H   1    1.18    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      431   .   1   1   46   46   THR   C      C   13   171.8   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      432   .   1   1   46   46   THR   CA     C   13   64.9    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      433   .   1   1   46   46   THR   N      N   15   122.3   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      434   .   1   1   47   47   GLN   H      H   1    8.70    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      435   .   1   1   47   47   GLN   HA     H   1    4.72    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      436   .   1   1   47   47   GLN   HB2    H   1    0.86    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      437   .   1   1   47   47   GLN   HB3    H   1    0.69    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      438   .   1   1   47   47   GLN   HG2    H   1    1.80    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      439   .   1   1   47   47   GLN   HG3    H   1    0.84    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      440   .   1   1   47   47   GLN   HE21   H   1    7.22    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      441   .   1   1   47   47   GLN   HE22   H   1    6.11    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      442   .   1   1   47   47   GLN   C      C   13   174.8   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      443   .   1   1   47   47   GLN   CA     C   13   53.4    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      444   .   1   1   47   47   GLN   N      N   15   126.5   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      445   .   1   1   47   47   GLN   NE2    N   15   107.9   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      446   .   1   1   48   48   SER   H      H   1    8.96    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      447   .   1   1   48   48   SER   HA     H   1    4.28    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      448   .   1   1   48   48   SER   HB2    H   1    3.98    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      449   .   1   1   48   48   SER   HB3    H   1    3.87    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      450   .   1   1   48   48   SER   C      C   13   171.1   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      451   .   1   1   48   48   SER   CA     C   13   59.2    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      452   .   1   1   48   48   SER   N      N   15   117.5   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      453   .   1   1   49   49   TYR   H      H   1    8.80    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      454   .   1   1   49   49   TYR   HA     H   1    4.10    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      455   .   1   1   49   49   TYR   HB2    H   1    3.14    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      456   .   1   1   49   49   TYR   HB3    H   1    2.90    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      457   .   1   1   49   49   TYR   HD1    H   1    7.11    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      458   .   1   1   49   49   TYR   HD2    H   1    7.11    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      459   .   1   1   49   49   TYR   HE1    H   1    6.73    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      460   .   1   1   49   49   TYR   HE2    H   1    6.73    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      461   .   1   1   49   49   TYR   C      C   13   176.5   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      462   .   1   1   49   49   TYR   CA     C   13   61.2    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      463   .   1   1   49   49   TYR   N      N   15   124.6   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      464   .   1   1   50   50   GLY   H      H   1    8.18    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      465   .   1   1   50   50   GLY   HA2    H   1    4.33    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      466   .   1   1   50   50   GLY   HA3    H   1    2.98    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      467   .   1   1   50   50   GLY   C      C   13   168.2   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      468   .   1   1   50   50   GLY   CA     C   13   44.5    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      469   .   1   1   50   50   GLY   N      N   15   118.1   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      470   .   1   1   51   51   TYR   H      H   1    7.76    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      471   .   1   1   51   51   TYR   HA     H   1    3.96    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      472   .   1   1   51   51   TYR   HB2    H   1    2.24    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      473   .   1   1   51   51   TYR   HB3    H   1    3.03    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      474   .   1   1   51   51   TYR   HD1    H   1    6.83    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      475   .   1   1   51   51   TYR   HD2    H   1    7.45    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      476   .   1   1   51   51   TYR   C      C   13   174.7   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      477   .   1   1   51   51   TYR   CA     C   13   60.5    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      478   .   1   1   51   51   TYR   N      N   15   122.2   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      479   .   1   1   52   52   TYR   H      H   1    8.33    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      480   .   1   1   52   52   TYR   HA     H   1    6.32    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      481   .   1   1   52   52   TYR   HB2    H   1    3.45    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      482   .   1   1   52   52   TYR   HB3    H   1    3.11    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      483   .   1   1   52   52   TYR   HD1    H   1    7.11    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      484   .   1   1   52   52   TYR   HD2    H   1    7.45    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      485   .   1   1   52   52   TYR   HE1    H   1    6.70    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      486   .   1   1   52   52   TYR   HE2    H   1    6.98    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      487   .   1   1   52   52   TYR   HH     H   1    10.50   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      488   .   1   1   52   52   TYR   C      C   13   177.6   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      489   .   1   1   52   52   TYR   CA     C   13   55.3    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      490   .   1   1   52   52   TYR   N      N   15   112.9   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      491   .   1   1   53   53   HIS   H      H   1    8.72    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      492   .   1   1   53   53   HIS   HA     H   1    5.24    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      493   .   1   1   53   53   HIS   HB2    H   1    3.07    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      494   .   1   1   53   53   HIS   HB3    H   1    2.59    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      495   .   1   1   53   53   HIS   HD2    H   1    7.29    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      496   .   1   1   53   53   HIS   HE1    H   1    8.51    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      497   .   1   1   53   53   HIS   C      C   13   167.6   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      498   .   1   1   53   53   HIS   CA     C   13   55.8    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      499   .   1   1   53   53   HIS   N      N   15   117.5   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      500   .   1   1   54   54   GLU   H      H   1    8.50    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      501   .   1   1   54   54   GLU   HA     H   1    5.50    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      502   .   1   1   54   54   GLU   HB2    H   1    1.97    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      503   .   1   1   54   54   GLU   HB3    H   1    1.97    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      504   .   1   1   54   54   GLU   HG2    H   1    2.15    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      505   .   1   1   54   54   GLU   HG3    H   1    2.08    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      506   .   1   1   54   54   GLU   C      C   13   169.5   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      507   .   1   1   54   54   GLU   CA     C   13   54.6    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      508   .   1   1   54   54   GLU   N      N   15   118.4   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      509   .   1   1   55   55   TYR   H      H   1    9.10    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      510   .   1   1   55   55   TYR   HA     H   1    4.53    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      511   .   1   1   55   55   TYR   HB2    H   1    2.89    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      512   .   1   1   55   55   TYR   HB3    H   1    2.59    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      513   .   1   1   55   55   TYR   HD1    H   1    6.31    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      514   .   1   1   55   55   TYR   HD2    H   1    7.07    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      515   .   1   1   55   55   TYR   HE1    H   1    6.12    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      516   .   1   1   55   55   TYR   HE2    H   1    6.83    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      517   .   1   1   55   55   TYR   C      C   13   173.7   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      518   .   1   1   55   55   TYR   CA     C   13   57.6    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      519   .   1   1   55   55   TYR   N      N   15   118.5   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      520   .   1   1   56   56   THR   H      H   1    9.54    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      521   .   1   1   56   56   THR   HA     H   1    3.92    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      522   .   1   1   56   56   THR   HB     H   1    4.43    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      523   .   1   1   56   56   THR   HG21   H   1    1.15    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      524   .   1   1   56   56   THR   HG22   H   1    1.15    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      525   .   1   1   56   56   THR   HG23   H   1    1.15    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      526   .   1   1   56   56   THR   C      C   13   172.2   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      527   .   1   1   56   56   THR   CA     C   13   61.6    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      528   .   1   1   56   56   THR   N      N   15   120.9   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      529   .   1   1   57   57   VAL   H      H   1    7.59    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      530   .   1   1   57   57   VAL   HA     H   1    4.27    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      531   .   1   1   57   57   VAL   HB     H   1    1.85    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      532   .   1   1   57   57   VAL   HG11   H   1    1.12    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      533   .   1   1   57   57   VAL   HG12   H   1    1.12    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      534   .   1   1   57   57   VAL   HG13   H   1    1.12    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      535   .   1   1   57   57   VAL   HG21   H   1    0.93    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      536   .   1   1   57   57   VAL   HG22   H   1    0.93    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      537   .   1   1   57   57   VAL   HG23   H   1    0.93    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      538   .   1   1   57   57   VAL   C      C   13   170.3   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      539   .   1   1   57   57   VAL   CA     C   13   61.5    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      540   .   1   1   57   57   VAL   N      N   15   128.6   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      541   .   1   1   58   58   ILE   H      H   1    9.06    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      542   .   1   1   58   58   ILE   HA     H   1    3.92    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      543   .   1   1   58   58   ILE   HB     H   1    1.84    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      544   .   1   1   58   58   ILE   HG12   H   1    1.75    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      545   .   1   1   58   58   ILE   HG13   H   1    1.60    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      546   .   1   1   58   58   ILE   HG21   H   1    0.92    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      547   .   1   1   58   58   ILE   HG22   H   1    0.92    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      548   .   1   1   58   58   ILE   HG23   H   1    0.92    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      549   .   1   1   58   58   ILE   HD11   H   1    1.04    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      550   .   1   1   58   58   ILE   HD12   H   1    1.04    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      551   .   1   1   58   58   ILE   HD13   H   1    1.04    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      552   .   1   1   58   58   ILE   C      C   13   175.9   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      553   .   1   1   58   58   ILE   CA     C   13   62.4    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      554   .   1   1   58   58   ILE   N      N   15   130.5   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      555   .   1   1   59   59   THR   H      H   1    8.86    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      556   .   1   1   59   59   THR   HA     H   1    4.63    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      557   .   1   1   59   59   THR   HB     H   1    4.08    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      558   .   1   1   59   59   THR   HG21   H   1    1.18    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      559   .   1   1   59   59   THR   HG22   H   1    1.18    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      560   .   1   1   59   59   THR   HG23   H   1    1.18    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      561   .   1   1   59   59   THR   CA     C   13   60.3    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      562   .   1   1   59   59   THR   N      N   15   123.3   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      563   .   1   1   60   60   PRO   HA     H   1    4.28    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      564   .   1   1   60   60   PRO   HB2    H   1    2.33    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      565   .   1   1   60   60   PRO   HB3    H   1    1.94    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      566   .   1   1   60   60   PRO   HG2    H   1    2.00    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      567   .   1   1   60   60   PRO   HG3    H   1    2.00    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      568   .   1   1   60   60   PRO   HD2    H   1    3.93    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      569   .   1   1   60   60   PRO   HD3    H   1    3.77    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      570   .   1   1   60   60   PRO   C      C   13   178.5   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      571   .   1   1   60   60   PRO   CA     C   13   63.8    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      572   .   1   1   61   61   GLY   H      H   1    8.87    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      573   .   1   1   61   61   GLY   HA2    H   1    4.22    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      574   .   1   1   61   61   GLY   HA3    H   1    3.71    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      575   .   1   1   61   61   GLY   C      C   13   171.0   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      576   .   1   1   61   61   GLY   CA     C   13   45.4    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      577   .   1   1   61   61   GLY   N      N   15   112.7   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      578   .   1   1   62   62   ALA   H      H   1    7.75    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      579   .   1   1   62   62   ALA   HA     H   1    4.47    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      580   .   1   1   62   62   ALA   HB1    H   1    1.54    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      581   .   1   1   62   62   ALA   HB2    H   1    1.54    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      582   .   1   1   62   62   ALA   HB3    H   1    1.54    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      583   .   1   1   62   62   ALA   C      C   13   180.0   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      584   .   1   1   62   62   ALA   CA     C   13   52.4    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      585   .   1   1   62   62   ALA   N      N   15   123.0   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      586   .   1   1   63   63   ARG   H      H   1    8.94    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      587   .   1   1   63   63   ARG   HA     H   1    4.46    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      588   .   1   1   63   63   ARG   HB2    H   1    2.12    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      589   .   1   1   63   63   ARG   HB3    H   1    1.85    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      590   .   1   1   63   63   ARG   HG2    H   1    1.77    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      591   .   1   1   63   63   ARG   HG3    H   1    1.73    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      592   .   1   1   63   63   ARG   HD2    H   1    3.26    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      593   .   1   1   63   63   ARG   HD3    H   1    3.26    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      594   .   1   1   63   63   ARG   HE     H   1    7.23    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      595   .   1   1   63   63   ARG   C      C   13   174.4   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      596   .   1   1   63   63   ARG   CA     C   13   56.4    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      597   .   1   1   63   63   ARG   N      N   15   120.4   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      598   .   1   1   64   64   THR   H      H   1    7.37    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      599   .   1   1   64   64   THR   HA     H   1    4.70    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      600   .   1   1   64   64   THR   HB     H   1    4.58    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      601   .   1   1   64   64   THR   HG21   H   1    1.21    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      602   .   1   1   64   64   THR   HG22   H   1    1.21    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      603   .   1   1   64   64   THR   HG23   H   1    1.21    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      604   .   1   1   64   64   THR   C      C   13   170.0   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      605   .   1   1   64   64   THR   CA     C   13   59.6    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      606   .   1   1   64   64   THR   N      N   15   109.0   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      607   .   1   1   65   65   ARG   H      H   1    8.42    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      608   .   1   1   65   65   ARG   HA     H   1    3.70    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      609   .   1   1   65   65   ARG   HB2    H   1    1.50    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      610   .   1   1   65   65   ARG   HB3    H   1    0.62    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      611   .   1   1   65   65   ARG   HG2    H   1    1.14    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      612   .   1   1   65   65   ARG   HG3    H   1    1.01    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      613   .   1   1   65   65   ARG   HD2    H   1    2.69    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      614   .   1   1   65   65   ARG   HD3    H   1    2.83    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      615   .   1   1   65   65   ARG   HE     H   1    6.71    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      616   .   1   1   65   65   ARG   C      C   13   180.5   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      617   .   1   1   65   65   ARG   CA     C   13   58.7    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      618   .   1   1   65   65   ARG   N      N   15   117.0   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      619   .   1   1   66   66   GLY   H      H   1    8.36    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      620   .   1   1   66   66   GLY   HA2    H   1    3.93    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      621   .   1   1   66   66   GLY   HA3    H   1    3.90    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      622   .   1   1   66   66   GLY   C      C   13   174.4   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      623   .   1   1   66   66   GLY   CA     C   13   45.2    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      624   .   1   1   66   66   GLY   N      N   15   107.5   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      625   .   1   1   67   67   THR   H      H   1    9.28    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      626   .   1   1   67   67   THR   HA     H   1    4.10    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      627   .   1   1   67   67   THR   HB     H   1    4.29    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      628   .   1   1   67   67   THR   HG21   H   1    1.01    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      629   .   1   1   67   67   THR   HG22   H   1    1.01    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      630   .   1   1   67   67   THR   HG23   H   1    1.01    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      631   .   1   1   67   67   THR   C      C   13   171.7   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      632   .   1   1   67   67   THR   CA     C   13   62.6    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      633   .   1   1   67   67   THR   N      N   15   111.7   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      634   .   1   1   68   68   ARG   H      H   1    8.53    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      635   .   1   1   68   68   ARG   HA     H   1    5.36    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      636   .   1   1   68   68   ARG   HB2    H   1    2.29    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      637   .   1   1   68   68   ARG   HB3    H   1    1.42    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      638   .   1   1   68   68   ARG   HG2    H   1    1.77    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      639   .   1   1   68   68   ARG   HG3    H   1    1.64    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      640   .   1   1   68   68   ARG   HD2    H   1    3.58    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      641   .   1   1   68   68   ARG   HD3    H   1    3.30    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      642   .   1   1   68   68   ARG   C      C   13   180.1   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      643   .   1   1   68   68   ARG   CA     C   13   55.4    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      644   .   1   1   68   68   ARG   N      N   15   121.8   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      645   .   1   1   69   69   ARG   H      H   1    9.20    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      646   .   1   1   69   69   ARG   HA     H   1    5.23    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      647   .   1   1   69   69   ARG   HB2    H   1    1.65    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      648   .   1   1   69   69   ARG   HB3    H   1    1.40    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      649   .   1   1   69   69   ARG   HG2    H   1    1.21    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      650   .   1   1   69   69   ARG   HG3    H   1    1.21    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      651   .   1   1   69   69   ARG   HD2    H   1    3.39    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      652   .   1   1   69   69   ARG   HD3    H   1    2.81    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      653   .   1   1   69   69   ARG   C      C   13   172.4   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      654   .   1   1   69   69   ARG   CA     C   13   53.8    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      655   .   1   1   69   69   ARG   N      N   15   123.9   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      656   .   1   1   70   70   ILE   H      H   1    8.90    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      657   .   1   1   70   70   ILE   HA     H   1    5.37    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      658   .   1   1   70   70   ILE   HB     H   1    1.56    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      659   .   1   1   70   70   ILE   HG12   H   1    1.31    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      660   .   1   1   70   70   ILE   HG13   H   1    0.89    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      661   .   1   1   70   70   ILE   HG21   H   1    0.90    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      662   .   1   1   70   70   ILE   HG22   H   1    0.90    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      663   .   1   1   70   70   ILE   HG23   H   1    0.90    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      664   .   1   1   70   70   ILE   HD11   H   1    1.83    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      665   .   1   1   70   70   ILE   HD12   H   1    1.83    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      666   .   1   1   70   70   ILE   HD13   H   1    1.83    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      667   .   1   1   70   70   ILE   C      C   13   172.5   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      668   .   1   1   70   70   ILE   CA     C   13   59.9    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      669   .   1   1   70   70   ILE   N      N   15   118.5   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      670   .   1   1   71   71   ILE   H      H   1    9.52    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      671   .   1   1   71   71   ILE   HA     H   1    5.66    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      672   .   1   1   71   71   ILE   HB     H   1    1.76    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      673   .   1   1   71   71   ILE   HG12   H   1    0.89    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      674   .   1   1   71   71   ILE   HG13   H   1    0.77    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      675   .   1   1   71   71   ILE   HG21   H   1    0.72    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      676   .   1   1   71   71   ILE   HG22   H   1    0.72    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      677   .   1   1   71   71   ILE   HG23   H   1    0.72    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      678   .   1   1   71   71   ILE   HD11   H   1    0.51    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      679   .   1   1   71   71   ILE   HD12   H   1    0.51    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      680   .   1   1   71   71   ILE   HD13   H   1    0.51    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      681   .   1   1   71   71   ILE   C      C   13   176.4   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      682   .   1   1   71   71   ILE   CA     C   13   57.2    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      683   .   1   1   71   71   ILE   N      N   15   129.1   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      684   .   1   1   72   72   THR   H      H   1    9.77    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      685   .   1   1   72   72   THR   HA     H   1    5.43    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      686   .   1   1   72   72   THR   HB     H   1    4.69    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      687   .   1   1   72   72   THR   HG21   H   1    1.39    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      688   .   1   1   72   72   THR   HG22   H   1    1.39    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      689   .   1   1   72   72   THR   HG23   H   1    1.39    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      690   .   1   1   72   72   THR   C      C   13   174.3   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      691   .   1   1   72   72   THR   CA     C   13   59.7    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      692   .   1   1   72   72   THR   N      N   15   118.0   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      693   .   1   1   73   73   GLY   H      H   1    8.91    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      694   .   1   1   73   73   GLY   HA2    H   1    4.95    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      695   .   1   1   73   73   GLY   HA3    H   1    3.77    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      696   .   1   1   73   73   GLY   CA     C   13   43.7    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      697   .   1   1   73   73   GLY   N      N   15   107.6   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      698   .   1   1   74   74   GLU   H      H   1    4.98    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      699   .   1   1   74   74   GLU   HA     H   1    4.05    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      700   .   1   1   74   74   GLU   HB2    H   1    1.86    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      701   .   1   1   74   74   GLU   HB3    H   1    1.28    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      702   .   1   1   74   74   GLU   HG2    H   1    2.05    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      703   .   1   1   74   74   GLU   HG3    H   1    2.05    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      704   .   1   1   74   74   GLU   C      C   13   177.3   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      705   .   1   1   74   74   GLU   CA     C   13   57.0    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      706   .   1   1   74   74   GLU   N      N   15   114.7   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      707   .   1   1   75   75   ALA   H      H   1    7.91    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      708   .   1   1   75   75   ALA   HA     H   1    4.48    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      709   .   1   1   75   75   ALA   HB1    H   1    1.54    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      710   .   1   1   75   75   ALA   HB2    H   1    1.54    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      711   .   1   1   75   75   ALA   HB3    H   1    1.54    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      712   .   1   1   75   75   ALA   C      C   13   177.5   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      713   .   1   1   75   75   ALA   CA     C   13   51.8    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      714   .   1   1   75   75   ALA   N      N   15   121.0   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      715   .   1   1   76   76   THR   H      H   1    8.31    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      716   .   1   1   76   76   THR   HA     H   1    3.91    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      717   .   1   1   76   76   THR   HB     H   1    4.02    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      718   .   1   1   76   76   THR   HG21   H   1    1.28    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      719   .   1   1   76   76   THR   HG22   H   1    1.28    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      720   .   1   1   76   76   THR   HG23   H   1    1.28    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      721   .   1   1   76   76   THR   C      C   13   173.5   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      722   .   1   1   76   76   THR   CA     C   13   64.6    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      723   .   1   1   76   76   THR   N      N   15   116.7   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      724   .   1   1   77   77   GLN   H      H   1    9.18    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      725   .   1   1   77   77   GLN   HA     H   1    3.83    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      726   .   1   1   77   77   GLN   HB2    H   1    2.18    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      727   .   1   1   77   77   GLN   HB3    H   1    2.18    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      728   .   1   1   77   77   GLN   HG2    H   1    2.39    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      729   .   1   1   77   77   GLN   HG3    H   1    2.33    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      730   .   1   1   77   77   GLN   HE21   H   1    7.34    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      731   .   1   1   77   77   GLN   HE22   H   1    6.69    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      732   .   1   1   77   77   GLN   C      C   13   173.3   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      733   .   1   1   77   77   GLN   CA     C   13   58.4    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      734   .   1   1   77   77   GLN   N      N   15   120.1   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      735   .   1   1   77   77   GLN   NE2    N   15   111.5   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      736   .   1   1   78   78   GLU   H      H   1    7.82    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      737   .   1   1   78   78   GLU   HA     H   1    4.02    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      738   .   1   1   78   78   GLU   HB2    H   1    1.46    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      739   .   1   1   78   78   GLU   HB3    H   1    1.46    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      740   .   1   1   78   78   GLU   HG2    H   1    2.73    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      741   .   1   1   78   78   GLU   HG3    H   1    2.19    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      742   .   1   1   78   78   GLU   C      C   13   167.9   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      743   .   1   1   78   78   GLU   CA     C   13   55.4    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      744   .   1   1   78   78   GLU   N      N   15   122.9   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      745   .   1   1   79   79   ASP   H      H   1    6.98    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      746   .   1   1   79   79   ASP   HA     H   1    5.50    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      747   .   1   1   79   79   ASP   HB2    H   1    2.97    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      748   .   1   1   79   79   ASP   HB3    H   1    2.23    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      749   .   1   1   79   79   ASP   C      C   13   166.8   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      750   .   1   1   79   79   ASP   CA     C   13   51.9    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      751   .   1   1   79   79   ASP   N      N   15   124.4   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      752   .   1   1   80   80   TYR   H      H   1    9.96    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      753   .   1   1   80   80   TYR   HA     H   1    5.60    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      754   .   1   1   80   80   TYR   HB2    H   1    2.96    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      755   .   1   1   80   80   TYR   HB3    H   1    2.78    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      756   .   1   1   80   80   TYR   HD1    H   1    6.83    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      757   .   1   1   80   80   TYR   HD2    H   1    6.83    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      758   .   1   1   80   80   TYR   HE1    H   1    6.88    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      759   .   1   1   80   80   TYR   HE2    H   1    6.88    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      760   .   1   1   80   80   TYR   C      C   13   173.0   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      761   .   1   1   80   80   TYR   CA     C   13   55.8    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      762   .   1   1   80   80   TYR   N      N   15   120.5   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      763   .   1   1   81   81   TYR   H      H   1    9.67    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      764   .   1   1   81   81   TYR   HA     H   1    5.50    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      765   .   1   1   81   81   TYR   HB2    H   1    2.85    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      766   .   1   1   81   81   TYR   HB3    H   1    2.66    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      767   .   1   1   81   81   TYR   HD1    H   1    6.59    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      768   .   1   1   81   81   TYR   HD2    H   1    6.59    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      769   .   1   1   81   81   TYR   HE1    H   1    6.90    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      770   .   1   1   81   81   TYR   HE2    H   1    6.90    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      771   .   1   1   81   81   TYR   HH     H   1    9.28    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      772   .   1   1   81   81   TYR   C      C   13   173.5   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      773   .   1   1   81   81   TYR   CA     C   13   57.0    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      774   .   1   1   81   81   TYR   N      N   15   122.2   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      775   .   1   1   82   82   THR   H      H   1    7.95    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      776   .   1   1   82   82   THR   HA     H   1    4.67    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      777   .   1   1   82   82   THR   HB     H   1    3.17    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      778   .   1   1   82   82   THR   HG21   H   1    0.65    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      779   .   1   1   82   82   THR   HG22   H   1    0.65    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      780   .   1   1   82   82   THR   HG23   H   1    0.65    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      781   .   1   1   82   82   THR   C      C   13   165.5   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      782   .   1   1   82   82   THR   CA     C   13   58.3    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      783   .   1   1   82   82   THR   N      N   15   122.7   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      784   .   1   1   83   83   GLY   H      H   1    8.95    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      785   .   1   1   83   83   GLY   HA2    H   1    4.31    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      786   .   1   1   83   83   GLY   HA3    H   1    3.55    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      787   .   1   1   83   83   GLY   C      C   13   173.1   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      788   .   1   1   83   83   GLY   CA     C   13   44.6    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      789   .   1   1   83   83   GLY   N      N   15   113.8   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      790   .   1   1   84   84   ASP   H      H   1    8.30    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      791   .   1   1   84   84   ASP   HA     H   1    4.68    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      792   .   1   1   84   84   ASP   HB2    H   1    2.93    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      793   .   1   1   84   84   ASP   HB3    H   1    2.32    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      794   .   1   1   84   84   ASP   C      C   13   174.8   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      795   .   1   1   84   84   ASP   CA     C   13   51.9    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      796   .   1   1   84   84   ASP   N      N   15   123.2   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      797   .   1   1   85   85   HIS   H      H   1    8.97    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      798   .   1   1   85   85   HIS   HA     H   1    3.01    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      799   .   1   1   85   85   HIS   HB2    H   1    3.80    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      800   .   1   1   85   85   HIS   HB3    H   1    2.30    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      801   .   1   1   85   85   HIS   HD2    H   1    6.56    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      802   .   1   1   85   85   HIS   HE1    H   1    8.45    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      803   .   1   1   85   85   HIS   C      C   13   169.6   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      804   .   1   1   85   85   HIS   CA     C   13   58.1    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      805   .   1   1   85   85   HIS   N      N   15   119.5   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      806   .   1   1   86   86   TYR   H      H   1    7.32    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      807   .   1   1   86   86   TYR   HA     H   1    3.32    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      808   .   1   1   86   86   TYR   HB2    H   1    3.41    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      809   .   1   1   86   86   TYR   HB3    H   1    3.41    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      810   .   1   1   86   86   TYR   HD1    H   1    6.69    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      811   .   1   1   86   86   TYR   HD2    H   1    6.69    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      812   .   1   1   86   86   TYR   HE1    H   1    6.39    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      813   .   1   1   86   86   TYR   HE2    H   1    6.39    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      814   .   1   1   86   86   TYR   C      C   13   170.5   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      815   .   1   1   86   86   TYR   CA     C   13   57.8    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      816   .   1   1   86   86   TYR   N      N   15   107.0   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      817   .   1   1   87   87   ALA   H      H   1    7.15    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      818   .   1   1   87   87   ALA   HA     H   1    4.21    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      819   .   1   1   87   87   ALA   HB1    H   1    1.35    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      820   .   1   1   87   87   ALA   HB2    H   1    1.35    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      821   .   1   1   87   87   ALA   HB3    H   1    1.35    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      822   .   1   1   87   87   ALA   C      C   13   180.2   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      823   .   1   1   87   87   ALA   CA     C   13   54.8    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      824   .   1   1   87   87   ALA   N      N   15   123.5   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      825   .   1   1   88   88   THR   H      H   1    9.43    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      826   .   1   1   88   88   THR   HA     H   1    4.60    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      827   .   1   1   88   88   THR   HB     H   1    4.03    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      828   .   1   1   88   88   THR   HG21   H   1    1.18    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      829   .   1   1   88   88   THR   HG22   H   1    1.18    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      830   .   1   1   88   88   THR   HG23   H   1    1.18    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      831   .   1   1   88   88   THR   C      C   13   168.6   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      832   .   1   1   88   88   THR   CA     C   13   60.5    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      833   .   1   1   88   88   THR   N      N   15   111.7   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      834   .   1   1   89   89   PHE   H      H   1    8.73    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      835   .   1   1   89   89   PHE   HA     H   1    5.55    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      836   .   1   1   89   89   PHE   HB2    H   1    2.75    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      837   .   1   1   89   89   PHE   HB3    H   1    2.56    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      838   .   1   1   89   89   PHE   HD1    H   1    6.85    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      839   .   1   1   89   89   PHE   HD2    H   1    6.85    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      840   .   1   1   89   89   PHE   HE1    H   1    6.99    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      841   .   1   1   89   89   PHE   HE2    H   1    6.99    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      842   .   1   1   89   89   PHE   HZ     H   1    6.90    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      843   .   1   1   89   89   PHE   C      C   13   174.1   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      844   .   1   1   89   89   PHE   CA     C   13   56.3    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      845   .   1   1   89   89   PHE   N      N   15   117.5   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      846   .   1   1   90   90   SER   H      H   1    8.98    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      847   .   1   1   90   90   SER   HA     H   1    5.11    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      848   .   1   1   90   90   SER   HB2    H   1    3.78    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      849   .   1   1   90   90   SER   HB3    H   1    3.51    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      850   .   1   1   90   90   SER   C      C   13   170.4   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      851   .   1   1   90   90   SER   CA     C   13   58.1    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      852   .   1   1   90   90   SER   N      N   15   114.9   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      853   .   1   1   91   91   LEU   H      H   1    8.78    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      854   .   1   1   91   91   LEU   HA     H   1    4.56    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      855   .   1   1   91   91   LEU   HB2    H   1    1.98    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      856   .   1   1   91   91   LEU   HB3    H   1    1.98    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      857   .   1   1   91   91   LEU   HG     H   1    1.55    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      858   .   1   1   91   91   LEU   HD11   H   1    0.92    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      859   .   1   1   91   91   LEU   HD12   H   1    0.92    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      860   .   1   1   91   91   LEU   HD13   H   1    0.92    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      861   .   1   1   91   91   LEU   HD21   H   1    0.79    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      862   .   1   1   91   91   LEU   HD22   H   1    0.79    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      863   .   1   1   91   91   LEU   HD23   H   1    0.79    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      864   .   1   1   91   91   LEU   C      C   13   173.9   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      865   .   1   1   91   91   LEU   CA     C   13   57.1    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      866   .   1   1   91   91   LEU   N      N   15   128.6   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      867   .   1   1   92   92   ILE   H      H   1    8.78    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      868   .   1   1   92   92   ILE   HA     H   1    4.40    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      869   .   1   1   92   92   ILE   HB     H   1    1.82    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      870   .   1   1   92   92   ILE   HG12   H   1    1.90    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      871   .   1   1   92   92   ILE   HG13   H   1    1.90    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      872   .   1   1   92   92   ILE   HG21   H   1    0.71    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      873   .   1   1   92   92   ILE   HG22   H   1    0.71    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      874   .   1   1   92   92   ILE   HG23   H   1    0.71    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      875   .   1   1   92   92   ILE   HD11   H   1    0.82    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      876   .   1   1   92   92   ILE   HD12   H   1    0.82    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      877   .   1   1   92   92   ILE   HD13   H   1    0.82    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      878   .   1   1   92   92   ILE   C      C   13   175.4   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      879   .   1   1   92   92   ILE   CA     C   13   62.3    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      880   .   1   1   92   92   ILE   N      N   15   126.2   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      881   .   1   1   93   93   ASP   H      H   1    9.35    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      882   .   1   1   93   93   ASP   HA     H   1    4.96    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      883   .   1   1   93   93   ASP   HB2    H   1    3.04    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      884   .   1   1   93   93   ASP   HB3    H   1    2.28    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      885   .   1   1   93   93   ASP   C      C   13   176.5   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      886   .   1   1   93   93   ASP   CA     C   13   52.9    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      887   .   1   1   93   93   ASP   N      N   15   129.7   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      888   .   1   1   94   94   GLN   H      H   1    9.42    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      889   .   1   1   94   94   GLN   HA     H   1    4.24    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      890   .   1   1   94   94   GLN   HB2    H   1    1.95    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      891   .   1   1   94   94   GLN   HB3    H   1    1.84    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      892   .   1   1   94   94   GLN   HG2    H   1    2.64    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      893   .   1   1   94   94   GLN   HG3    H   1    2.53    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      894   .   1   1   94   94   GLN   HE21   H   1    8.19    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      895   .   1   1   94   94   GLN   HE22   H   1    6.79    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      896   .   1   1   94   94   GLN   C      C   13   175.5   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      897   .   1   1   94   94   GLN   CA     C   13   58.2    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      898   .   1   1   94   94   GLN   N      N   15   123.6   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      899   .   1   1   94   94   GLN   NE2    N   15   112.6   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      900   .   1   1   95   95   THR   H      H   1    9.05    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      901   .   1   1   95   95   THR   HA     H   1    4.48    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      902   .   1   1   95   95   THR   HB     H   1    4.41    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      903   .   1   1   95   95   THR   HG21   H   1    1.21    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      904   .   1   1   95   95   THR   HG22   H   1    1.21    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      905   .   1   1   95   95   THR   HG23   H   1    1.21    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      906   .   1   1   95   95   THR   C      C   13   170.0   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      907   .   1   1   95   95   THR   CA     C   13   62.4    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      908   .   1   1   95   95   THR   N      N   15   110.5   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      909   .   1   1   96   96   CYS   H      H   1    7.37    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      910   .   1   1   96   96   CYS   HA     H   1    4.88    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      911   .   1   1   96   96   CYS   HB2    H   1    3.47    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      912   .   1   1   96   96   CYS   HB3    H   1    3.41    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      913   .   1   1   96   96   CYS   CA     C   13   56.8    .   .   1   .   .   .   .   .   .   .   .   .   4259   1
      914   .   1   1   96   96   CYS   N      N   15   121.5   .   .   1   .   .   .   .   .   .   .   .   .   4259   1
   stop_
save_