data_7093

save_study_list
   _Study_list.Sf_category    study_list
   _Study_list.Sf_framecode   study_list
   _Study_list.Entry_ID       7093
   _Study_list.ID             1

   loop_
      _Study.ID
      _Study.Name
      _Study.Type
      _Study.Details
      _Study.Entry_ID
      _Study.Study_list_ID

      1 
      
;
Chemical shift assignment of monomeric chorimate mutase from methanococcus
jannaschii in a complex with a transition state analog
; 
      . 
      . 
      7093 
      1 
      

   stop_

   loop_
      _Study_keyword.Study_ID
      _Study_keyword.Keyword
      _Study_keyword.Entry_ID
      _Study_keyword.Study_list_ID

      . 'chemical shift assignment' 7093 1 

   stop_

save_


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

save_entry_information
   _Entry.Sf_category                    entry_information
   _Entry.Sf_framecode                   entry_information
   _Entry.ID                             7093
   _Entry.Title                         
;
Chemical shift assignment of monomeric chorimate mutase from methanococcus
jannaschii in a complex with a transition state analog
;
   _Entry.Type                           macromolecule
   _Entry.Version_type                   original
   _Entry.Submission_date                2006-05-02
   _Entry.Accession_date                 2006-05-02
   _Entry.Last_release_date              .
   _Entry.Original_release_date          .
   _Entry.Origination                    author
   _Entry.NMR_STAR_version               3.1.1.61
   _Entry.Original_NMR_STAR_version      .
   _Entry.Experimental_method            NMR
   _Entry.Experimental_method_subtype    .
   _Entry.Details                       'chemical shift assignments of the protein, the free and bound transition state analog'
   _Entry.BMRB_internal_directory_name   .

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

      1 Beat       Vogeli    . R. . 7093 
      2 Konstantin Pervushin . .  . 7093 
      3 Katherina  Vamvaca   . .  . 7093 
      4 Donald     Hilvert   . .  . 7093 

   stop_

   loop_
      _Entry_src.ID
      _Entry_src.Project_name
      _Entry_src.Organization_full_name
      _Entry_src.Organization_initials
      _Entry_src.Entry_ID

      . . 'ETH Zurich' . 7093 

   stop_

   loop_
      _Data_set.Type
      _Data_set.Count
      _Data_set.Entry_ID

      assigned_chemical_shifts 1 7093 

   stop_

   loop_
      _Datum.Type
      _Datum.Count
      _Datum.Entry_ID

      '13C chemical shifts' 279 7093 
      '15N chemical shifts' 101 7093 
      '1H chemical shifts'  619 7093 

   stop_

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

      2 . . 2008-07-15 2006-05-02 update   BMRB   'complete entry citation' 7093 
      1 . . 2007-11-21 2006-05-02 original author 'original release'        7093 

   stop_

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

      PDB 2GTV 'BMRB Entry Tracking System' 7093 

   stop_

save_


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

save_paper_mMjCM
   _Citation.Sf_category                  citations
   _Citation.Sf_framecode                 paper_mMjCM
   _Citation.Entry_ID                     7093
   _Citation.ID                           1
   _Citation.Class                       'entry citation'
   _Citation.CAS_abstract_code            .
   _Citation.MEDLINE_UI_code              .
   _Citation.DOI                          .
   _Citation.PubMed_ID                    17994104
   _Citation.Full_citation                .
   _Citation.Title                       'Structure and dynamics of a molten globular enzyme'
   _Citation.Status                       published
   _Citation.Type                         journal
   _Citation.Journal_abbrev              'Nat. Struct. Mol. Biol.'
   _Citation.Journal_name_full            .
   _Citation.Journal_volume               14
   _Citation.Journal_issue                12
   _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                   1202
   _Citation.Page_last                    1206
   _Citation.Year                         2007
   _Citation.Details                      .

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

      1 Konstantin Pervushin . . . 7093 1 
      2 Katherina  Vamvaca   . . . 7093 1 
      3 Beat       Vogeli    . . . 7093 1 
      4 Donald     Hilvert   . . . 7093 1 

   stop_

save_


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

save_assembly
   _Assembly.Sf_category                       assembly
   _Assembly.Sf_framecode                      assembly
   _Assembly.Entry_ID                          7093
   _Assembly.ID                                1
   _Assembly.Name                             'mMjCM in complex with a TSA'
   _Assembly.BMRB_code                         .
   _Assembly.Number_of_components              2
   _Assembly.Organic_ligands                   1
   _Assembly.Metal_ions                        0
   _Assembly.Non_standard_bonds                .
   _Assembly.Ambiguous_conformational_states   no
   _Assembly.Ambiguous_chem_comp_sites         no
   _Assembly.Molecules_in_chemical_exchange    yes
   _Assembly.Paramagnetic                      no
   _Assembly.Thiol_state                      'all free'
   _Assembly.Molecular_mass                    .
   _Assembly.Enzyme_commission_number          .
   _Assembly.Details                           .
   _Assembly.DB_query_date                     .
   _Assembly.DB_query_revised_last_date        .

   loop_
      _Entity_assembly.ID
      _Entity_assembly.Entity_assembly_name
      _Entity_assembly.Entity_ID
      _Entity_assembly.Entity_label
      _Entity_assembly.Asym_ID
      _Entity_assembly.PDB_chain_ID
      _Entity_assembly.Experimental_data_reported
      _Entity_assembly.Physical_state
      _Entity_assembly.Conformational_isomer
      _Entity_assembly.Chemical_exchange_state
      _Entity_assembly.Magnetic_equivalence_group_code
      _Entity_assembly.Role
      _Entity_assembly.Details
      _Entity_assembly.Entry_ID
      _Entity_assembly.Assembly_ID

      1 mMjCM 1 $mMjCM . . yes native no no . . . 7093 1 
      2 TSA   2 $TSA   . . yes native no no . . . 7093 1 

   stop_

save_


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

save_mMjCM
   _Entity.Sf_category                       entity
   _Entity.Sf_framecode                      mMjCM
   _Entity.Entry_ID                          7093
   _Entity.ID                                1
   _Entity.BMRB_code                         .
   _Entity.Name                             'monomeric chorismate mutase from methanococcus jannaschii'
   _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      
;
MIEKLAEIRKKIDEIDNKIL
KARWPWAEKLIAERNSLAKD
VAEIKNQLGIPINDPEREKY
IYDRIRKLCKEHNVDENIGI
KIFQRLIEHNKALQKQYLEE
TLEH
;
   _Entity.Target_identifier                 .
   _Entity.Polymer_author_defined_seq        .
   _Entity.Polymer_author_seq_details        .
   _Entity.Ambiguous_conformational_states   no
   _Entity.Ambiguous_chem_comp_sites         no
   _Entity.Nstd_monomer                      no
   _Entity.Nstd_chirality                    no
   _Entity.Nstd_linkage                      no
   _Entity.Nonpolymer_comp_ID                .
   _Entity.Nonpolymer_comp_label             .
   _Entity.Number_of_monomers                104
   _Entity.Number_of_nonpolymer_components   .
   _Entity.Paramagnetic                      no
   _Entity.Thiol_state                      'all free'
   _Entity.Src_method                        .
   _Entity.Parent_entity_ID                  1
   _Entity.Fragment                          .
   _Entity.Mutation                          .
   _Entity.EC_number                         .
   _Entity.Calc_isoelectric_point            .
   _Entity.Formula_weight                    .
   _Entity.Formula_weight_exptl              .
   _Entity.Formula_weight_exptl_meth         .
   _Entity.Details                           .
   _Entity.DB_query_date                     .
   _Entity.DB_query_revised_last_date        2014-05-12

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

      no BMRB 17093 .  mMjCM                                                                       . . . . . 100.00 104 100.00 100.00 9.76e-66 . . . . 7093 1 
      no PDB  2GTV   . "Nmr Structure Of Monomeric Chorismate Mutase From Methanococcus Jannaschii" . . . . . 100.00 104 100.00 100.00 9.76e-66 . . . . 7093 1 

   stop_

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

      CM . 7093 1 

   stop_

   loop_
      _Entity_comp_index.ID
      _Entity_comp_index.Auth_seq_ID
      _Entity_comp_index.Comp_ID
      _Entity_comp_index.Comp_label
      _Entity_comp_index.Entry_ID
      _Entity_comp_index.Entity_ID

        1 . MET . 7093 1 
        2 . ILE . 7093 1 
        3 . GLU . 7093 1 
        4 . LYS . 7093 1 
        5 . LEU . 7093 1 
        6 . ALA . 7093 1 
        7 . GLU . 7093 1 
        8 . ILE . 7093 1 
        9 . ARG . 7093 1 
       10 . LYS . 7093 1 
       11 . LYS . 7093 1 
       12 . ILE . 7093 1 
       13 . ASP . 7093 1 
       14 . GLU . 7093 1 
       15 . ILE . 7093 1 
       16 . ASP . 7093 1 
       17 . ASN . 7093 1 
       18 . LYS . 7093 1 
       19 . ILE . 7093 1 
       20 . LEU . 7093 1 
       21 . LYS . 7093 1 
       22 . ALA . 7093 1 
       23 . ARG . 7093 1 
       24 . TRP . 7093 1 
       25 . PRO . 7093 1 
       26 . TRP . 7093 1 
       27 . ALA . 7093 1 
       28 . GLU . 7093 1 
       29 . LYS . 7093 1 
       30 . LEU . 7093 1 
       31 . ILE . 7093 1 
       32 . ALA . 7093 1 
       33 . GLU . 7093 1 
       34 . ARG . 7093 1 
       35 . ASN . 7093 1 
       36 . SER . 7093 1 
       37 . LEU . 7093 1 
       38 . ALA . 7093 1 
       39 . LYS . 7093 1 
       40 . ASP . 7093 1 
       41 . VAL . 7093 1 
       42 . ALA . 7093 1 
       43 . GLU . 7093 1 
       44 . ILE . 7093 1 
       45 . LYS . 7093 1 
       46 . ASN . 7093 1 
       47 . GLN . 7093 1 
       48 . LEU . 7093 1 
       49 . GLY . 7093 1 
       50 . ILE . 7093 1 
       51 . PRO . 7093 1 
       52 . ILE . 7093 1 
       53 . ASN . 7093 1 
       54 . ASP . 7093 1 
       55 . PRO . 7093 1 
       56 . GLU . 7093 1 
       57 . ARG . 7093 1 
       58 . GLU . 7093 1 
       59 . LYS . 7093 1 
       60 . TYR . 7093 1 
       61 . ILE . 7093 1 
       62 . TYR . 7093 1 
       63 . ASP . 7093 1 
       64 . ARG . 7093 1 
       65 . ILE . 7093 1 
       66 . ARG . 7093 1 
       67 . LYS . 7093 1 
       68 . LEU . 7093 1 
       69 . CYS . 7093 1 
       70 . LYS . 7093 1 
       71 . GLU . 7093 1 
       72 . HIS . 7093 1 
       73 . ASN . 7093 1 
       74 . VAL . 7093 1 
       75 . ASP . 7093 1 
       76 . GLU . 7093 1 
       77 . ASN . 7093 1 
       78 . ILE . 7093 1 
       79 . GLY . 7093 1 
       80 . ILE . 7093 1 
       81 . LYS . 7093 1 
       82 . ILE . 7093 1 
       83 . PHE . 7093 1 
       84 . GLN . 7093 1 
       85 . ARG . 7093 1 
       86 . LEU . 7093 1 
       87 . ILE . 7093 1 
       88 . GLU . 7093 1 
       89 . HIS . 7093 1 
       90 . ASN . 7093 1 
       91 . LYS . 7093 1 
       92 . ALA . 7093 1 
       93 . LEU . 7093 1 
       94 . GLN . 7093 1 
       95 . LYS . 7093 1 
       96 . GLN . 7093 1 
       97 . TYR . 7093 1 
       98 . LEU . 7093 1 
       99 . GLU . 7093 1 
      100 . GLU . 7093 1 
      101 . THR . 7093 1 
      102 . LEU . 7093 1 
      103 . GLU . 7093 1 
      104 . HIS . 7093 1 

   stop_

   loop_
      _Entity_poly_seq.Hetero
      _Entity_poly_seq.Mon_ID
      _Entity_poly_seq.Num
      _Entity_poly_seq.Comp_index_ID
      _Entity_poly_seq.Entry_ID
      _Entity_poly_seq.Entity_ID

      . MET   1   1 7093 1 
      . ILE   2   2 7093 1 
      . GLU   3   3 7093 1 
      . LYS   4   4 7093 1 
      . LEU   5   5 7093 1 
      . ALA   6   6 7093 1 
      . GLU   7   7 7093 1 
      . ILE   8   8 7093 1 
      . ARG   9   9 7093 1 
      . LYS  10  10 7093 1 
      . LYS  11  11 7093 1 
      . ILE  12  12 7093 1 
      . ASP  13  13 7093 1 
      . GLU  14  14 7093 1 
      . ILE  15  15 7093 1 
      . ASP  16  16 7093 1 
      . ASN  17  17 7093 1 
      . LYS  18  18 7093 1 
      . ILE  19  19 7093 1 
      . LEU  20  20 7093 1 
      . LYS  21  21 7093 1 
      . ALA  22  22 7093 1 
      . ARG  23  23 7093 1 
      . TRP  24  24 7093 1 
      . PRO  25  25 7093 1 
      . TRP  26  26 7093 1 
      . ALA  27  27 7093 1 
      . GLU  28  28 7093 1 
      . LYS  29  29 7093 1 
      . LEU  30  30 7093 1 
      . ILE  31  31 7093 1 
      . ALA  32  32 7093 1 
      . GLU  33  33 7093 1 
      . ARG  34  34 7093 1 
      . ASN  35  35 7093 1 
      . SER  36  36 7093 1 
      . LEU  37  37 7093 1 
      . ALA  38  38 7093 1 
      . LYS  39  39 7093 1 
      . ASP  40  40 7093 1 
      . VAL  41  41 7093 1 
      . ALA  42  42 7093 1 
      . GLU  43  43 7093 1 
      . ILE  44  44 7093 1 
      . LYS  45  45 7093 1 
      . ASN  46  46 7093 1 
      . GLN  47  47 7093 1 
      . LEU  48  48 7093 1 
      . GLY  49  49 7093 1 
      . ILE  50  50 7093 1 
      . PRO  51  51 7093 1 
      . ILE  52  52 7093 1 
      . ASN  53  53 7093 1 
      . ASP  54  54 7093 1 
      . PRO  55  55 7093 1 
      . GLU  56  56 7093 1 
      . ARG  57  57 7093 1 
      . GLU  58  58 7093 1 
      . LYS  59  59 7093 1 
      . TYR  60  60 7093 1 
      . ILE  61  61 7093 1 
      . TYR  62  62 7093 1 
      . ASP  63  63 7093 1 
      . ARG  64  64 7093 1 
      . ILE  65  65 7093 1 
      . ARG  66  66 7093 1 
      . LYS  67  67 7093 1 
      . LEU  68  68 7093 1 
      . CYS  69  69 7093 1 
      . LYS  70  70 7093 1 
      . GLU  71  71 7093 1 
      . HIS  72  72 7093 1 
      . ASN  73  73 7093 1 
      . VAL  74  74 7093 1 
      . ASP  75  75 7093 1 
      . GLU  76  76 7093 1 
      . ASN  77  77 7093 1 
      . ILE  78  78 7093 1 
      . GLY  79  79 7093 1 
      . ILE  80  80 7093 1 
      . LYS  81  81 7093 1 
      . ILE  82  82 7093 1 
      . PHE  83  83 7093 1 
      . GLN  84  84 7093 1 
      . ARG  85  85 7093 1 
      . LEU  86  86 7093 1 
      . ILE  87  87 7093 1 
      . GLU  88  88 7093 1 
      . HIS  89  89 7093 1 
      . ASN  90  90 7093 1 
      . LYS  91  91 7093 1 
      . ALA  92  92 7093 1 
      . LEU  93  93 7093 1 
      . GLN  94  94 7093 1 
      . LYS  95  95 7093 1 
      . GLN  96  96 7093 1 
      . TYR  97  97 7093 1 
      . LEU  98  98 7093 1 
      . GLU  99  99 7093 1 
      . GLU 100 100 7093 1 
      . THR 101 101 7093 1 
      . LEU 102 102 7093 1 
      . GLU 103 103 7093 1 
      . HIS 104 104 7093 1 

   stop_

save_


save_TSA
   _Entity.Sf_category                       entity
   _Entity.Sf_framecode                      TSA
   _Entity.Entry_ID                          7093
   _Entity.ID                                2
   _Entity.BMRB_code                         .
   _Entity.Name                              TSA
   _Entity.Type                              non-polymer
   _Entity.Polymer_common_type               .
   _Entity.Polymer_type                      .
   _Entity.Polymer_type_details              .
   _Entity.Polymer_strand_ID                 .
   _Entity.Polymer_seq_one_letter_code_can   .
   _Entity.Polymer_seq_one_letter_code       .
   _Entity.Target_identifier                 .
   _Entity.Polymer_author_defined_seq        .
   _Entity.Polymer_author_seq_details        .
   _Entity.Ambiguous_conformational_states   no
   _Entity.Ambiguous_chem_comp_sites         no
   _Entity.Nstd_monomer                      .
   _Entity.Nstd_chirality                    no
   _Entity.Nstd_linkage                      no
   _Entity.Nonpolymer_comp_ID                TSA
   _Entity.Nonpolymer_comp_label            $chem_comp_TSA
   _Entity.Number_of_monomers                .
   _Entity.Number_of_nonpolymer_components   .
   _Entity.Paramagnetic                      .
   _Entity.Thiol_state                       .
   _Entity.Src_method                        .
   _Entity.Parent_entity_ID                  2
   _Entity.Fragment                          .
   _Entity.Mutation                          .
   _Entity.EC_number                         .
   _Entity.Calc_isoelectric_point            .
   _Entity.Formula_weight                    .
   _Entity.Formula_weight_exptl              .
   _Entity.Formula_weight_exptl_meth         .
   _Entity.Details                           .
   _Entity.DB_query_date                     .
   _Entity.DB_query_revised_last_date        .

   loop_
      _Entity_comp_index.ID
      _Entity_comp_index.Auth_seq_ID
      _Entity_comp_index.Comp_ID
      _Entity_comp_index.Comp_label
      _Entity_comp_index.Entry_ID
      _Entity_comp_index.Entity_ID

      1 . TSA . 7093 2 

   stop_

save_


    ####################
    #  Natural source  #
    ####################

save_natural_source
   _Entity_natural_src_list.Sf_category    natural_source
   _Entity_natural_src_list.Sf_framecode   natural_source
   _Entity_natural_src_list.Entry_ID       7093
   _Entity_natural_src_list.ID             1

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

      1 1 $mMjCM . 2190 . no . 'Methanococcus jannaschii' . . Archaea . Methanococcus jannaschii . . . . . . . . . . . . . . . . . . . . . 7093 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       7093
   _Entity_experimental_src_list.ID             1

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

      1 1 $mMjCM . 'recombinant technology' . 'escherichia coli' KA13 . . . . . . . . . . . . . . . . . . . . . . . . . . 7093 1 

   stop_

save_


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

save_chem_comp_TSA
   _Chem_comp.Sf_category                       chem_comp
   _Chem_comp.Sf_framecode                      chem_comp_TSA
   _Chem_comp.Entry_ID                          7093
   _Chem_comp.ID                                TSA
   _Chem_comp.Provenance                        .
   _Chem_comp.Name                             '8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-6-ENE-3,5-DICARBOXYLIC ACID'
   _Chem_comp.Type                              non-polymer
   _Chem_comp.BMRB_code                         .
   _Chem_comp.PDB_code                          TSA
   _Chem_comp.Ambiguous_flag                    no
   _Chem_comp.Initial_date                      1999-07-08
   _Chem_comp.Modified_date                     2011-06-04
   _Chem_comp.Release_status                    REL
   _Chem_comp.Replaced_by                       .
   _Chem_comp.Replaces                          BAR
   _Chem_comp.One_letter_code                   .
   _Chem_comp.Three_letter_code                 TSA
   _Chem_comp.Number_atoms_all                  .
   _Chem_comp.Number_atoms_nh                   .
   _Chem_comp.PubChem_code                      .
   _Chem_comp.Subcomponent_list                 .
   _Chem_comp.InChI_code                        .
   _Chem_comp.Mon_nstd_flag                     .
   _Chem_comp.Mon_nstd_class                    .
   _Chem_comp.Mon_nstd_details                  .
   _Chem_comp.Mon_nstd_parent                   .
   _Chem_comp.Mon_nstd_parent_comp_ID           .
   _Chem_comp.Std_deriv_one_letter_code         .
   _Chem_comp.Std_deriv_three_letter_code       .
   _Chem_comp.Std_deriv_BMRB_code               .
   _Chem_comp.Std_deriv_PDB_code                .
   _Chem_comp.Std_deriv_chem_comp_name          .
   _Chem_comp.Synonyms                          .
   _Chem_comp.Formal_charge                     0
   _Chem_comp.Paramagnetic                      .
   _Chem_comp.Aromatic                          no
   _Chem_comp.Formula                          'C10 H12 O6'
   _Chem_comp.Formula_weight                    228.199
   _Chem_comp.Formula_mono_iso_wt_nat           .
   _Chem_comp.Formula_mono_iso_wt_13C           .
   _Chem_comp.Formula_mono_iso_wt_15N           .
   _Chem_comp.Formula_mono_iso_wt_13C_15N       .
   _Chem_comp.Image_file_name                   .
   _Chem_comp.Image_file_format                 .
   _Chem_comp.Topo_file_name                    .
   _Chem_comp.Topo_file_format                  .
   _Chem_comp.Struct_file_name                  .
   _Chem_comp.Struct_file_format                .
   _Chem_comp.Stereochem_param_file_name        .
   _Chem_comp.Stereochem_param_file_format      .
   _Chem_comp.Model_details                     .
   _Chem_comp.Model_erf                         .
   _Chem_comp.Model_source                      .
   _Chem_comp.Model_coordinates_details         .
   _Chem_comp.Model_coordinates_missing_flag    no
   _Chem_comp.Ideal_coordinates_details         .
   _Chem_comp.Ideal_coordinates_missing_flag    no
   _Chem_comp.Model_coordinates_db_code         1ECM
   _Chem_comp.Processing_site                   EBI
   _Chem_comp.Vendor                            .
   _Chem_comp.Vendor_product_code               .
   _Chem_comp.Details                          
;
Information obtained from PDB's Chemical Component Dictionary
at http://wwpdb-remediation.rutgers.edu/downloads.html
Downloaded on Tue Oct  4 15:31:47 2011
;
   _Chem_comp.DB_query_date                     .
   _Chem_comp.DB_last_query_revised_last_date   .

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

      C1C2C(C=CC1(CC(O2)C(=O)O)C(=O)O)O                                                                                        SMILES           'OpenEye OEToolkits' 1.5.0     7093 TSA 
      C1[C@@H]2[C@@H](C=C[C@]1(C[C@H](O2)C(=O)O)C(=O)O)O                                                                       SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0     7093 TSA 
      InChI=1S/C10H12O6/c11-5-1-2-10(9(14)15)3-6(5)16-7(4-10)8(12)13/h1-2,5-7,11H,3-4H2,(H,12,13)(H,14,15)/t5-,6-,7+,10+/m1/s1 InChI             InChI                   1.03  7093 TSA 
      KRZHNRULRHECRF-JQCUSGDOSA-N                                                                                              InChIKey          InChI                   1.03  7093 TSA 
      O[C@@H]1C=C[C@@]2(C[C@H]1O[C@@H](C2)C(O)=O)C(O)=O                                                                        SMILES_CANONICAL  CACTVS                  3.341 7093 TSA 
      O[CH]1C=C[C]2(C[CH]1O[CH](C2)C(O)=O)C(O)=O                                                                               SMILES            CACTVS                  3.341 7093 TSA 
      O=C(O)C1OC2C(O)C=CC(C(=O)O)(C1)C2                                                                                        SMILES            ACDLabs                10.04  7093 TSA 

   stop_

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

      '(1R,3S,5S,8R)-8-hydroxy-2-oxabicyclo[3.3.1]non-6-ene-3,5-dicarboxylic acid' 'SYSTEMATIC NAME'  ACDLabs                10.04 7093 TSA 
      '(1S,3S,5R,6R)-6-hydroxy-4-oxabicyclo[3.3.1]non-7-ene-1,3-dicarboxylic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0    7093 TSA 

   stop_

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

      C1  . C1  . . C . . S 0 . . . . no no . . . . 27.499 . 17.712 . 49.922 .  0.083  0.140 -1.107  1 . 7093 TSA 
      C2  . C2  . . C . . N 0 . . . . no no . . . . 27.291 . 18.473 . 51.273 . -0.327 -1.087 -0.332  2 . 7093 TSA 
      C3  . C3  . . C . . N 0 . . . . no no . . . . 26.516 . 18.006 . 52.302 .  0.058 -1.311  0.882  3 . 7093 TSA 
      C4  . C4  . . C . . R 0 . . . . no no . . . . 25.668 . 16.741 . 52.215 .  0.973 -0.423  1.669  4 . 7093 TSA 
      O5  . O5  . . O . . N 0 . . . . no no . . . . 24.332 . 17.134 . 52.236 .  2.218 -1.094  1.867  5 . 7093 TSA 
      C5  . C5  . . C . . R 0 . . . . no no . . . . 25.887 . 16.000 . 50.885 .  1.228  0.894  0.952  6 . 7093 TSA 
      C6  . C6  . . C . . N 0 . . . . no no . . . . 26.161 . 16.967 . 49.675 .  1.421  0.645 -0.541  7 . 7093 TSA 
      O7  . O7  . . O . . N 0 . . . . no no . . . . 26.983 . 15.121 . 50.989 .  0.210  1.841  1.203  8 . 7093 TSA 
      C8  . C8  . . C . . S 0 . . . . no no . . . . 28.366 . 15.517 . 50.926 . -1.036  1.359  0.718  9 . 7093 TSA 
      C9  . C9  . . C . . N 0 . . . . no no . . . . 28.645 . 16.655 . 49.896 . -0.966  1.230 -0.808 10 . 7093 TSA 
      C10 . C10 . . C . . N 0 . . . . no no . . . . 27.907 . 18.692 . 48.796 .  0.189 -0.153 -2.581 11 . 7093 TSA 
      O1  . O1  . . O . . N 0 . . . . no no . . . . 27.378 . 18.557 . 47.682 .  1.242  0.001 -3.153 12 . 7093 TSA 
      O2  . O2  . . O . . N 0 . . . . no no . . . . 28.806 . 19.528 . 49.004 . -0.885 -0.588 -3.258 13 . 7093 TSA 
      C11 . C11 . . C . . N 0 . . . . no no . . . . 28.945 . 15.838 . 52.336 . -1.339  0.027  1.355 14 . 7093 TSA 
      O3  . O3  . . O . . N 0 . . . . no no . . . . 29.998 . 16.499 . 52.405 . -0.975 -0.198  2.484 15 . 7093 TSA 
      O4  . O4  . . O . . N 0 . . . . no no . . . . 28.322 . 15.475 . 53.352 . -2.015 -0.906  0.667 16 . 7093 TSA 
      H2  . H2  . . H . . N 0 . . . . no no . . . . 27.740 . 19.447 . 51.528 . -0.971 -1.810 -0.811 17 . 7093 TSA 
      H3  . H3  . . H . . N 0 . . . . no no . . . . 26.574 . 18.646 . 53.198 . -0.305 -2.206  1.364 18 . 7093 TSA 
      H4  . H4  . . H . . N 0 . . . . no no . . . . 25.946 . 16.069 . 53.060 .  0.521 -0.218  2.639 19 . 7093 TSA 
      HO5 . HO5 . . H . . N 0 . . . . no no . . . . 23.803 . 16.346 . 52.181 .  2.021 -1.916  2.338 20 . 7093 TSA 
      H5  . H5  . . H . . N 0 . . . . no no . . . . 24.939 . 15.447 . 50.686 .  2.161  1.302  1.340 21 . 7093 TSA 
      H61 . H61 . . H . . N 0 . . . . no no . . . . 25.312 . 17.666 . 49.488 .  2.194 -0.107 -0.693 22 . 7093 TSA 
      H62 . H62 . . H . . N 0 . . . . no no . . . . 26.143 . 16.437 . 48.694 .  1.706  1.573 -1.037 23 . 7093 TSA 
      H8  . H8  . . H . . N 0 . . . . no no . . . . 28.917 . 14.628 . 50.537 . -1.823  2.069  0.972 24 . 7093 TSA 
      H91 . H91 . . H . . N 0 . . . . no no . . . . 28.813 . 16.252 . 48.870 . -0.691  2.189 -1.248 25 . 7093 TSA 
      H92 . H92 . . H . . N 0 . . . . no no . . . . 29.643 . 17.123 . 50.057 . -1.931  0.905 -1.197 26 . 7093 TSA 
      HO2 . HO2 . . H . . N 0 . . . . no no . . . . 29.056 . 20.129 . 48.312 . -0.816 -0.777 -4.204 27 . 7093 TSA 
      HO4 . HO4 . . H . . N 0 . . . . no no . . . . 28.675 . 15.670 . 54.211 . -2.209 -1.761  1.076 28 . 7093 TSA 

   stop_

   loop_
      _Chem_comp_bond.ID
      _Chem_comp_bond.Type
      _Chem_comp_bond.Value_order
      _Chem_comp_bond.Atom_ID_1
      _Chem_comp_bond.Atom_ID_2
      _Chem_comp_bond.Aromatic_flag
      _Chem_comp_bond.Stereo_config
      _Chem_comp_bond.Ordinal
      _Chem_comp_bond.Details
      _Chem_comp_bond.Entry_ID
      _Chem_comp_bond.Comp_ID

       1 . SING C1  C2  no N  1 . 7093 TSA 
       2 . SING C1  C6  no N  2 . 7093 TSA 
       3 . SING C1  C9  no N  3 . 7093 TSA 
       4 . SING C1  C10 no N  4 . 7093 TSA 
       5 . DOUB C2  C3  no N  5 . 7093 TSA 
       6 . SING C2  H2  no N  6 . 7093 TSA 
       7 . SING C3  C4  no N  7 . 7093 TSA 
       8 . SING C3  H3  no N  8 . 7093 TSA 
       9 . SING C4  O5  no N  9 . 7093 TSA 
      10 . SING C4  C5  no N 10 . 7093 TSA 
      11 . SING C4  H4  no N 11 . 7093 TSA 
      12 . SING O5  HO5 no N 12 . 7093 TSA 
      13 . SING C5  C6  no N 13 . 7093 TSA 
      14 . SING C5  O7  no N 14 . 7093 TSA 
      15 . SING C5  H5  no N 15 . 7093 TSA 
      16 . SING C6  H61 no N 16 . 7093 TSA 
      17 . SING C6  H62 no N 17 . 7093 TSA 
      18 . SING O7  C8  no N 18 . 7093 TSA 
      19 . SING C8  C9  no N 19 . 7093 TSA 
      20 . SING C8  C11 no N 20 . 7093 TSA 
      21 . SING C8  H8  no N 21 . 7093 TSA 
      22 . SING C9  H91 no N 22 . 7093 TSA 
      23 . SING C9  H92 no N 23 . 7093 TSA 
      24 . DOUB C10 O1  no N 24 . 7093 TSA 
      25 . SING C10 O2  no N 25 . 7093 TSA 
      26 . SING O2  HO2 no N 26 . 7093 TSA 
      27 . DOUB C11 O3  no N 27 . 7093 TSA 
      28 . SING C11 O4  no N 28 . 7093 TSA 
      29 . SING O4  HO4 no N 29 . 7093 TSA 

   stop_

save_


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

save_sample_1
   _Sample.Sf_category                      sample
   _Sample.Sf_framecode                     sample_1
   _Sample.Entry_ID                         7093
   _Sample.ID                               1
   _Sample.Type                             solution
   _Sample.Sub_type                         .
   _Sample.Details                         'mMjCM in complex with TSA low concentration'
   _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 'mMjCM in complex with TSA' [U-15N] 1 $assembly . . . . 0.07 . . mM . . . . 7093 1 

   stop_

save_


save_sample_2
   _Sample.Sf_category                      sample
   _Sample.Sf_framecode                     sample_2
   _Sample.Entry_ID                         7093
   _Sample.ID                               2
   _Sample.Type                             solution
   _Sample.Sub_type                         .
   _Sample.Details                         'mMjCM in complex with TSA high concentration'
   _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 'mMjCM in complex with TSA' '[U-13C; U-15N]' 1 $assembly . . . . 0.6 . . mM . . . . 7093 2 

   stop_

save_


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

save_conditions_1
   _Sample_condition_list.Sf_category    sample_conditions
   _Sample_condition_list.Sf_framecode   conditions_1
   _Sample_condition_list.Entry_ID       7093
   _Sample_condition_list.ID             1
   _Sample_condition_list.Details        .

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

      pH            6.5 0 pH 7093 1 
      temperature 293   0 K  7093 1 

   stop_

save_


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

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

save_900MHz_spectrometer
   _NMR_spectrometer.Sf_category      NMR_spectrometer
   _NMR_spectrometer.Sf_framecode     900MHz_spectrometer
   _NMR_spectrometer.Entry_ID         7093
   _NMR_spectrometer.ID               1
   _NMR_spectrometer.Details          .
   _NMR_spectrometer.Manufacturer     Bruker
   _NMR_spectrometer.Model            Avance
   _NMR_spectrometer.Serial_number    .
   _NMR_spectrometer.Field_strength   900

save_


save_600MHz_spectrometer
   _NMR_spectrometer.Sf_category      NMR_spectrometer
   _NMR_spectrometer.Sf_framecode     600MHz_spectrometer
   _NMR_spectrometer.Entry_ID         7093
   _NMR_spectrometer.ID               2
   _NMR_spectrometer.Details          .
   _NMR_spectrometer.Manufacturer     Bruker
   _NMR_spectrometer.Model            Avance
   _NMR_spectrometer.Serial_number    .
   _NMR_spectrometer.Field_strength   600

save_


    #############################
    #  NMR applied experiments  #
    #############################

save_NMR_experiment_list
   _Experiment_list.Sf_category    experiment_list
   _Experiment_list.Sf_framecode   NMR_experiment_list
   _Experiment_list.Entry_ID       7093
   _Experiment_list.ID             1
   _Experiment_list.Details        .

   loop_
      _Experiment.ID
      _Experiment.Name
      _Experiment.Raw_data_flag
      _Experiment.NMR_spec_expt_ID
      _Experiment.NMR_spec_expt_label
      _Experiment.MS_expt_ID
      _Experiment.MS_expt_label
      _Experiment.SAXS_expt_ID
      _Experiment.SAXS_expt_label
      _Experiment.FRET_expt_ID
      _Experiment.FRET_expt_label
      _Experiment.EMR_expt_ID
      _Experiment.EMR_expt_label
      _Experiment.Sample_ID
      _Experiment.Sample_label
      _Experiment.Sample_state
      _Experiment.Sample_volume
      _Experiment.Sample_volume_units
      _Experiment.Sample_condition_list_ID
      _Experiment.Sample_condition_list_label
      _Experiment.Sample_spinning_rate
      _Experiment.Sample_angle
      _Experiment.NMR_tube_type
      _Experiment.NMR_spectrometer_ID
      _Experiment.NMR_spectrometer_label
      _Experiment.NMR_spectrometer_probe_ID
      _Experiment.NMR_spectrometer_probe_label
      _Experiment.NMR_spectral_processing_ID
      _Experiment.NMR_spectral_processing_label
      _Experiment.Mass_spectrometer_ID
      _Experiment.Mass_spectrometer_label
      _Experiment.Xray_instrument_ID
      _Experiment.Xray_instrument_label
      _Experiment.Fluorescence_instrument_ID
      _Experiment.Fluorescence_instrument_label
      _Experiment.EMR_instrument_ID
      _Experiment.EMR_instrument_label
      _Experiment.Chromatographic_system_ID
      _Experiment.Chromatographic_system_label
      _Experiment.Chromatographic_column_ID
      _Experiment.Chromatographic_column_label
      _Experiment.Entry_ID
      _Experiment.Experiment_list_ID

      1 'standard suite for NMR assignment procedure' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7093 1 

   stop_

save_


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

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

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

save_chemical_shift_referencing
   _Chem_shift_reference.Sf_category    chem_shift_reference
   _Chem_shift_reference.Sf_framecode   chemical_shift_referencing
   _Chem_shift_reference.Entry_ID       7093
   _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.Indirect_shift_ratio_cit_ID
      _Chem_shift_ref.Indirect_shift_ratio_cit_label
      _Chem_shift_ref.Ref_correction_type
      _Chem_shift_ref.Correction_val
      _Chem_shift_ref.Correction_val_cit_ID
      _Chem_shift_ref.Correction_val_cit_label
      _Chem_shift_ref.Entry_ID
      _Chem_shift_ref.Chem_shift_reference_ID

      C 13 DSS 'methyl carbons' . . . . ppm 0 internal indirect 1.0 . . . 1 $paper_mMjCM . . 1 $paper_mMjCM 7093 1 
      H  1 DSS 'methyl protons' . . . . ppm 0 internal direct   1.0 . . . 1 $paper_mMjCM . . 1 $paper_mMjCM 7093 1 
      N 15 DSS  nitrogen        . . . . ppm 0 internal indirect 1.0 . . . 1 $paper_mMjCM . . 1 $paper_mMjCM 7093 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_chem_shift_list_1
   _Assigned_chem_shift_list.Sf_category                   assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                  chem_shift_list_1
   _Assigned_chem_shift_list.Entry_ID                      7093
   _Assigned_chem_shift_list.ID                            1
   _Assigned_chem_shift_list.Sample_condition_list_ID      1
   _Assigned_chem_shift_list.Sample_condition_list_label  $conditions_1
   _Assigned_chem_shift_list.Chem_shift_reference_ID       1
   _Assigned_chem_shift_list.Chem_shift_reference_label   $chemical_shift_referencing
   _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                      
;
TSA free
  3000 6.06	H2	
  3001 5.73	H3	
  3002 4.30	H4	
  3003 4.13	H5	
  3004 1.91	1H6	
  3005 1.91	2H6	
  3006 4.18	H8	
  3007 2.09	1H9	
  3008 2.20	2H9
;
   _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 $sample_1 isotropic 7093 1 

   stop_

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

        1 . 1 1   3   3 GLU H    H  1   9.360 0.020 . 1 . . . .   3 GLU H    . 7093 1 
        2 . 1 1   3   3 GLU HA   H  1   4.157 0.020 . 1 . . . .   3 GLU HA   . 7093 1 
        3 . 1 1   3   3 GLU HB2  H  1   2.364 0.020 . 2 . . . .   3 GLU HB2  . 7093 1 
        4 . 1 1   3   3 GLU HB3  H  1   2.286 0.020 . 2 . . . .   3 GLU HB3  . 7093 1 
        5 . 1 1   3   3 GLU CA   C 13  58.937 0.400 . 1 . . . .   3 GLU CA   . 7093 1 
        6 . 1 1   3   3 GLU CB   C 13  35.691 0.400 . 1 . . . .   3 GLU CB   . 7093 1 
        7 . 1 1   3   3 GLU N    N 15 126.963 0.400 . 1 . . . .   3 GLU N    . 7093 1 
        8 . 1 1   4   4 LYS H    H  1   8.250 0.020 . 1 . . . .   4 LYS H    . 7093 1 
        9 . 1 1   4   4 LYS N    N 15 120.801 0.400 . 1 . . . .   4 LYS N    . 7093 1 
       10 . 1 1   5   5 LEU H    H  1   7.688 0.020 . 1 . . . .   5 LEU H    . 7093 1 
       11 . 1 1   5   5 LEU HA   H  1   4.152 0.020 . 1 . . . .   5 LEU HA   . 7093 1 
       12 . 1 1   5   5 LEU HB2  H  1   1.999 0.020 . 2 . . . .   5 LEU HB2  . 7093 1 
       13 . 1 1   5   5 LEU HB3  H  1   1.285 0.020 . 2 . . . .   5 LEU HB3  . 7093 1 
       14 . 1 1   5   5 LEU HG   H  1   1.998 0.020 . 1 . . . .   5 LEU HG   . 7093 1 
       15 . 1 1   5   5 LEU HD11 H  1   0.827 0.020 . 2 . . . .   5 LEU HD1  . 7093 1 
       16 . 1 1   5   5 LEU HD12 H  1   0.827 0.020 . 2 . . . .   5 LEU HD1  . 7093 1 
       17 . 1 1   5   5 LEU HD13 H  1   0.827 0.020 . 2 . . . .   5 LEU HD1  . 7093 1 
       18 . 1 1   5   5 LEU HD21 H  1   0.825 0.020 . 2 . . . .   5 LEU HD2  . 7093 1 
       19 . 1 1   5   5 LEU HD22 H  1   0.825 0.020 . 2 . . . .   5 LEU HD2  . 7093 1 
       20 . 1 1   5   5 LEU HD23 H  1   0.825 0.020 . 2 . . . .   5 LEU HD2  . 7093 1 
       21 . 1 1   5   5 LEU CA   C 13  56.540 0.400 . 1 . . . .   5 LEU CA   . 7093 1 
       22 . 1 1   5   5 LEU CB   C 13  41.250 0.400 . 1 . . . .   5 LEU CB   . 7093 1 
       23 . 1 1   5   5 LEU CG   C 13  31.173 0.400 . 1 . . . .   5 LEU CG   . 7093 1 
       24 . 1 1   5   5 LEU CD1  C 13  25.266 0.400 . 1 . . . .   5 LEU CD1  . 7093 1 
       25 . 1 1   5   5 LEU CD2  C 13  25.266 0.400 . 1 . . . .   5 LEU CD2  . 7093 1 
       26 . 1 1   5   5 LEU N    N 15 120.596 0.400 . 1 . . . .   5 LEU N    . 7093 1 
       27 . 1 1   6   6 ALA H    H  1   7.770 0.020 . 1 . . . .   6 ALA H    . 7093 1 
       28 . 1 1   6   6 ALA HA   H  1   3.940 0.020 . 1 . . . .   6 ALA HA   . 7093 1 
       29 . 1 1   6   6 ALA HB1  H  1   1.459 0.020 . 1 . . . .   6 ALA HB   . 7093 1 
       30 . 1 1   6   6 ALA HB2  H  1   1.459 0.020 . 1 . . . .   6 ALA HB   . 7093 1 
       31 . 1 1   6   6 ALA HB3  H  1   1.459 0.020 . 1 . . . .   6 ALA HB   . 7093 1 
       32 . 1 1   6   6 ALA CA   C 13  54.769 0.400 . 1 . . . .   6 ALA CA   . 7093 1 
       33 . 1 1   6   6 ALA CB   C 13  17.236 0.400 . 1 . . . .   6 ALA CB   . 7093 1 
       34 . 1 1   6   6 ALA N    N 15 122.146 0.400 . 1 . . . .   6 ALA N    . 7093 1 
       35 . 1 1   7   7 GLU H    H  1   7.959 0.020 . 1 . . . .   7 GLU H    . 7093 1 
       36 . 1 1   7   7 GLU HA   H  1   4.000 0.020 . 1 . . . .   7 GLU HA   . 7093 1 
       37 . 1 1   7   7 GLU HB2  H  1   2.146 0.020 . 1 . . . .   7 GLU HB2  . 7093 1 
       38 . 1 1   7   7 GLU HB3  H  1   2.146 0.020 . 1 . . . .   7 GLU HB3  . 7093 1 
       39 . 1 1   7   7 GLU HG2  H  1   2.385 0.020 . 1 . . . .   7 GLU HG2  . 7093 1 
       40 . 1 1   7   7 GLU HG3  H  1   2.385 0.020 . 1 . . . .   7 GLU HG3  . 7093 1 
       41 . 1 1   7   7 GLU CA   C 13  58.946 0.400 . 1 . . . .   7 GLU CA   . 7093 1 
       42 . 1 1   7   7 GLU CB   C 13  29.088 0.400 . 1 . . . .   7 GLU CB   . 7093 1 
       43 . 1 1   7   7 GLU CG   C 13  35.691 0.400 . 1 . . . .   7 GLU CG   . 7093 1 
       44 . 1 1   7   7 GLU N    N 15 119.454 0.400 . 1 . . . .   7 GLU N    . 7093 1 
       45 . 1 1   8   8 ILE H    H  1   7.932 0.020 . 1 . . . .   8 ILE H    . 7093 1 
       46 . 1 1   8   8 ILE HA   H  1   3.784 0.020 . 1 . . . .   8 ILE HA   . 7093 1 
       47 . 1 1   8   8 ILE HB   H  1   1.806 0.020 . 1 . . . .   8 ILE HB   . 7093 1 
       48 . 1 1   8   8 ILE HG12 H  1   1.184 0.020 . 2 . . . .   8 ILE HG12 . 7093 1 
       49 . 1 1   8   8 ILE HG21 H  1   0.931 0.020 . 1 . . . .   8 ILE HG2  . 7093 1 
       50 . 1 1   8   8 ILE HG22 H  1   0.931 0.020 . 1 . . . .   8 ILE HG2  . 7093 1 
       51 . 1 1   8   8 ILE HG23 H  1   0.931 0.020 . 1 . . . .   8 ILE HG2  . 7093 1 
       52 . 1 1   8   8 ILE HD11 H  1   0.793 0.020 . 1 . . . .   8 ILE HD1  . 7093 1 
       53 . 1 1   8   8 ILE HD12 H  1   0.793 0.020 . 1 . . . .   8 ILE HD1  . 7093 1 
       54 . 1 1   8   8 ILE HD13 H  1   0.793 0.020 . 1 . . . .   8 ILE HD1  . 7093 1 
       55 . 1 1   8   8 ILE CA   C 13  64.146 0.400 . 1 . . . .   8 ILE CA   . 7093 1 
       56 . 1 1   8   8 ILE CB   C 13  37.403 0.400 . 1 . . . .   8 ILE CB   . 7093 1 
       57 . 1 1   8   8 ILE CG1  C 13  29.088 0.400 . 1 . . . .   8 ILE CG1  . 7093 1 
       58 . 1 1   8   8 ILE CG2  C 13  18.316 0.400 . 1 . . . .   8 ILE CG2  . 7093 1 
       59 . 1 1   8   8 ILE CD1  C 13  13.763 0.400 . 1 . . . .   8 ILE CD1  . 7093 1 
       60 . 1 1   8   8 ILE N    N 15 122.206 0.400 . 1 . . . .   8 ILE N    . 7093 1 
       61 . 1 1   9   9 ARG H    H  1   8.290 0.020 . 1 . . . .   9 ARG H    . 7093 1 
       62 . 1 1   9   9 ARG HA   H  1   3.828 0.020 . 1 . . . .   9 ARG HA   . 7093 1 
       63 . 1 1   9   9 ARG HB2  H  1   1.887 0.020 . 2 . . . .   9 ARG HB2  . 7093 1 
       64 . 1 1   9   9 ARG HB3  H  1   1.822 0.020 . 2 . . . .   9 ARG HB3  . 7093 1 
       65 . 1 1   9   9 ARG HG2  H  1   1.642 0.020 . 2 . . . .   9 ARG HG2  . 7093 1 
       66 . 1 1   9   9 ARG HG3  H  1   1.293 0.020 . 2 . . . .   9 ARG HG3  . 7093 1 
       67 . 1 1   9   9 ARG HD2  H  1   2.883 0.020 . 2 . . . .   9 ARG HD2  . 7093 1 
       68 . 1 1   9   9 ARG HD3  H  1   2.610 0.020 . 2 . . . .   9 ARG HD3  . 7093 1 
       69 . 1 1   9   9 ARG HE   H  1   9.423 0.020 . 1 . . . .   9 ARG HE   . 7093 1 
       70 . 1 1   9   9 ARG HH21 H  1   7.736 0.020 . 2 . . . .   9 ARG HH21 . 7093 1 
       71 . 1 1   9   9 ARG HH22 H  1  10.175 0.020 . 2 . . . .   9 ARG HH22 . 7093 1 
       72 . 1 1   9   9 ARG CA   C 13  59.979 0.400 . 1 . . . .   9 ARG CA   . 7093 1 
       73 . 1 1   9   9 ARG CB   C 13  32.216 0.400 . 1 . . . .   9 ARG CB   . 7093 1 
       74 . 1 1   9   9 ARG CG   C 13  28.036 0.400 . 1 . . . .   9 ARG CG   . 7093 1 
       75 . 1 1   9   9 ARG CD   C 13  44.030 0.400 . 1 . . . .   9 ARG CD   . 7093 1 
       76 . 1 1   9   9 ARG N    N 15 120.859 0.400 . 1 . . . .   9 ARG N    . 7093 1 
       77 . 1 1   9   9 ARG NE   N 15  84.925 0.400 . 1 . . . .   9 ARG NE   . 7093 1 
       78 . 1 1   9   9 ARG NH2  N 15  76.511 0.400 . 1 . . . .   9 ARG NH2  . 7093 1 
       79 . 1 1  10  10 LYS H    H  1   7.777 0.020 . 1 . . . .  10 LYS H    . 7093 1 
       80 . 1 1  10  10 LYS HA   H  1   3.999 0.020 . 1 . . . .  10 LYS HA   . 7093 1 
       81 . 1 1  10  10 LYS HB2  H  1   1.933 0.020 . 1 . . . .  10 LYS HB2  . 7093 1 
       82 . 1 1  10  10 LYS HB3  H  1   1.933 0.020 . 1 . . . .  10 LYS HB3  . 7093 1 
       83 . 1 1  10  10 LYS HE2  H  1   2.938 0.020 . 1 . . . .  10 LYS HE2  . 7093 1 
       84 . 1 1  10  10 LYS HE3  H  1   2.938 0.020 . 1 . . . .  10 LYS HE3  . 7093 1 
       85 . 1 1  10  10 LYS CA   C 13  58.937 0.400 . 1 . . . .  10 LYS CA   . 7093 1 
       86 . 1 1  10  10 LYS CB   C 13  31.521 0.400 . 1 . . . .  10 LYS CB   . 7093 1 
       87 . 1 1  10  10 LYS CE   C 13  41.571 0.400 . 1 . . . .  10 LYS CE   . 7093 1 
       88 . 1 1  10  10 LYS N    N 15 120.929 0.400 . 1 . . . .  10 LYS N    . 7093 1 
       89 . 1 1  11  11 LYS H    H  1   7.401 0.020 . 1 . . . .  11 LYS H    . 7093 1 
       90 . 1 1  11  11 LYS HA   H  1   4.110 0.020 . 1 . . . .  11 LYS HA   . 7093 1 
       91 . 1 1  11  11 LYS HB2  H  1   2.122 0.020 . 1 . . . .  11 LYS HB2  . 7093 1 
       92 . 1 1  11  11 LYS HB3  H  1   2.122 0.020 . 1 . . . .  11 LYS HB3  . 7093 1 
       93 . 1 1  11  11 LYS HG2  H  1   1.626 0.020 . 2 . . . .  11 LYS HG2  . 7093 1 
       94 . 1 1  11  11 LYS HG3  H  1   1.444 0.020 . 2 . . . .  11 LYS HG3  . 7093 1 
       95 . 1 1  11  11 LYS HD2  H  1   1.634 0.020 . 1 . . . .  11 LYS HD2  . 7093 1 
       96 . 1 1  11  11 LYS HD3  H  1   1.634 0.020 . 1 . . . .  11 LYS HD3  . 7093 1 
       97 . 1 1  11  11 LYS HE2  H  1   2.920 0.020 . 1 . . . .  11 LYS HE2  . 7093 1 
       98 . 1 1  11  11 LYS HE3  H  1   2.920 0.020 . 1 . . . .  11 LYS HE3  . 7093 1 
       99 . 1 1  11  11 LYS CA   C 13  58.972 0.400 . 1 . . . .  11 LYS CA   . 7093 1 
      100 . 1 1  11  11 LYS CB   C 13  31.173 0.400 . 1 . . . .  11 LYS CB   . 7093 1 
      101 . 1 1  11  11 LYS CG   C 13  24.918 0.400 . 1 . . . .  11 LYS CG   . 7093 1 
      102 . 1 1  11  11 LYS CD   C 13  28.741 0.400 . 1 . . . .  11 LYS CD   . 7093 1 
      103 . 1 1  11  11 LYS CE   C 13  41.945 0.400 . 1 . . . .  11 LYS CE   . 7093 1 
      104 . 1 1  11  11 LYS N    N 15 121.273 0.400 . 1 . . . .  11 LYS N    . 7093 1 
      105 . 1 1  12  12 ILE H    H  1   8.403 0.020 . 1 . . . .  12 ILE H    . 7093 1 
      106 . 1 1  12  12 ILE HA   H  1   3.471 0.020 . 1 . . . .  12 ILE HA   . 7093 1 
      107 . 1 1  12  12 ILE HB   H  1   1.819 0.020 . 1 . . . .  12 ILE HB   . 7093 1 
      108 . 1 1  12  12 ILE HG12 H  1   1.954 0.020 . 2 . . . .  12 ILE HG12 . 7093 1 
      109 . 1 1  12  12 ILE HG13 H  1   1.040 0.020 . 2 . . . .  12 ILE HG13 . 7093 1 
      110 . 1 1  12  12 ILE HG21 H  1   1.037 0.020 . 1 . . . .  12 ILE HG2  . 7093 1 
      111 . 1 1  12  12 ILE HG22 H  1   1.037 0.020 . 1 . . . .  12 ILE HG2  . 7093 1 
      112 . 1 1  12  12 ILE HG23 H  1   1.037 0.020 . 1 . . . .  12 ILE HG2  . 7093 1 
      113 . 1 1  12  12 ILE HD11 H  1   0.754 0.020 . 1 . . . .  12 ILE HD1  . 7093 1 
      114 . 1 1  12  12 ILE HD12 H  1   0.754 0.020 . 1 . . . .  12 ILE HD1  . 7093 1 
      115 . 1 1  12  12 ILE HD13 H  1   0.754 0.020 . 1 . . . .  12 ILE HD1  . 7093 1 
      116 . 1 1  12  12 ILE CA   C 13  65.906 0.400 . 1 . . . .  12 ILE CA   . 7093 1 
      117 . 1 1  12  12 ILE CB   C 13  37.776 0.400 . 1 . . . .  12 ILE CB   . 7093 1 
      118 . 1 1  12  12 ILE CG2  C 13  16.542 0.400 . 1 . . . .  12 ILE CG2  . 7093 1 
      119 . 1 1  12  12 ILE CD1  C 13  12.326 0.400 . 1 . . . .  12 ILE CD1  . 7093 1 
      120 . 1 1  12  12 ILE N    N 15 122.726 0.400 . 1 . . . .  12 ILE N    . 7093 1 
      121 . 1 1  13  13 ASP H    H  1   8.531 0.020 . 1 . . . .  13 ASP H    . 7093 1 
      122 . 1 1  13  13 ASP HA   H  1   4.539 0.020 . 1 . . . .  13 ASP HA   . 7093 1 
      123 . 1 1  13  13 ASP HB2  H  1   2.969 0.020 . 2 . . . .  13 ASP HB2  . 7093 1 
      124 . 1 1  13  13 ASP HB3  H  1   2.523 0.020 . 2 . . . .  13 ASP HB3  . 7093 1 
      125 . 1 1  13  13 ASP CA   C 13  56.540 0.400 . 1 . . . .  13 ASP CA   . 7093 1 
      126 . 1 1  13  13 ASP CB   C 13  39.165 0.400 . 1 . . . .  13 ASP CB   . 7093 1 
      127 . 1 1  13  13 ASP N    N 15 120.031 0.400 . 1 . . . .  13 ASP N    . 7093 1 
      128 . 1 1  14  14 GLU H    H  1   7.602 0.020 . 1 . . . .  14 GLU H    . 7093 1 
      129 . 1 1  14  14 GLU HA   H  1   4.148 0.020 . 1 . . . .  14 GLU HA   . 7093 1 
      130 . 1 1  14  14 GLU HB2  H  1   2.169 0.020 . 1 . . . .  14 GLU HB2  . 7093 1 
      131 . 1 1  14  14 GLU HB3  H  1   2.169 0.020 . 1 . . . .  14 GLU HB3  . 7093 1 
      132 . 1 1  14  14 GLU HG2  H  1   2.455 0.020 . 2 . . . .  14 GLU HG2  . 7093 1 
      133 . 1 1  14  14 GLU HG3  H  1   2.263 0.020 . 2 . . . .  14 GLU HG3  . 7093 1 
      134 . 1 1  14  14 GLU CA   C 13  58.625 0.400 . 1 . . . .  14 GLU CA   . 7093 1 
      135 . 1 1  14  14 GLU CG   C 13  35.691 0.400 . 1 . . . .  14 GLU CG   . 7093 1 
      136 . 1 1  14  14 GLU N    N 15 120.328 0.400 . 1 . . . .  14 GLU N    . 7093 1 
      137 . 1 1  15  15 ILE H    H  1   8.079 0.020 . 1 . . . .  15 ILE H    . 7093 1 
      138 . 1 1  15  15 ILE HA   H  1   3.574 0.020 . 1 . . . .  15 ILE HA   . 7093 1 
      139 . 1 1  15  15 ILE HB   H  1   2.013 0.020 . 1 . . . .  15 ILE HB   . 7093 1 
      140 . 1 1  15  15 ILE HG12 H  1   1.777 0.020 . 2 . . . .  15 ILE HG12 . 7093 1 
      141 . 1 1  15  15 ILE HG13 H  1   0.987 0.020 . 2 . . . .  15 ILE HG13 . 7093 1 
      142 . 1 1  15  15 ILE HG21 H  1   0.986 0.020 . 1 . . . .  15 ILE HG2  . 7093 1 
      143 . 1 1  15  15 ILE HG22 H  1   0.986 0.020 . 1 . . . .  15 ILE HG2  . 7093 1 
      144 . 1 1  15  15 ILE HG23 H  1   0.986 0.020 . 1 . . . .  15 ILE HG2  . 7093 1 
      145 . 1 1  15  15 ILE HD11 H  1   0.734 0.020 . 1 . . . .  15 ILE HD1  . 7093 1 
      146 . 1 1  15  15 ILE HD12 H  1   0.734 0.020 . 1 . . . .  15 ILE HD1  . 7093 1 
      147 . 1 1  15  15 ILE HD13 H  1   0.734 0.020 . 1 . . . .  15 ILE HD1  . 7093 1 
      148 . 1 1  15  15 ILE CA   C 13  65.228 0.400 . 1 . . . .  15 ILE CA   . 7093 1 
      149 . 1 1  15  15 ILE CB   C 13  38.123 0.400 . 1 . . . .  15 ILE CB   . 7093 1 
      150 . 1 1  15  15 ILE CG1  C 13  29.436 0.400 . 1 . . . .  15 ILE CG1  . 7093 1 
      151 . 1 1  15  15 ILE CG2  C 13  17.621 0.400 . 1 . . . .  15 ILE CG2  . 7093 1 
      152 . 1 1  15  15 ILE CD1  C 13  14.146 0.400 . 1 . . . .  15 ILE CD1  . 7093 1 
      153 . 1 1  15  15 ILE N    N 15 124.300 0.400 . 1 . . . .  15 ILE N    . 7093 1 
      154 . 1 1  16  16 ASP H    H  1   9.367 0.020 . 1 . . . .  16 ASP H    . 7093 1 
      155 . 1 1  16  16 ASP HA   H  1   4.574 0.020 . 1 . . . .  16 ASP HA   . 7093 1 
      156 . 1 1  16  16 ASP HB2  H  1   2.564 0.020 . 2 . . . .  16 ASP HB2  . 7093 1 
      157 . 1 1  16  16 ASP HB3  H  1   2.118 0.020 . 2 . . . .  16 ASP HB3  . 7093 1 
      158 . 1 1  16  16 ASP CA   C 13  58.277 0.400 . 1 . . . .  16 ASP CA   . 7093 1 
      159 . 1 1  16  16 ASP CB   C 13  39.165 0.400 . 1 . . . .  16 ASP CB   . 7093 1 
      160 . 1 1  16  16 ASP N    N 15 125.542 0.400 . 1 . . . .  16 ASP N    . 7093 1 
      161 . 1 1  17  17 ASN H    H  1   7.650 0.020 . 1 . . . .  17 ASN H    . 7093 1 
      162 . 1 1  17  17 ASN HA   H  1   4.253 0.020 . 1 . . . .  17 ASN HA   . 7093 1 
      163 . 1 1  17  17 ASN HB2  H  1   2.845 0.020 . 1 . . . .  17 ASN HB2  . 7093 1 
      164 . 1 1  17  17 ASN HB3  H  1   2.845 0.020 . 1 . . . .  17 ASN HB3  . 7093 1 
      165 . 1 1  17  17 ASN HD21 H  1   7.484 0.020 . 2 . . . .  17 ASN HD21 . 7093 1 
      166 . 1 1  17  17 ASN HD22 H  1   7.018 0.020 . 2 . . . .  17 ASN HD22 . 7093 1 
      167 . 1 1  17  17 ASN CA   C 13  55.498 0.400 . 1 . . . .  17 ASN CA   . 7093 1 
      168 . 1 1  17  17 ASN CB   C 13  38.470 0.400 . 1 . . . .  17 ASN CB   . 7093 1 
      169 . 1 1  17  17 ASN N    N 15 116.538 0.400 . 1 . . . .  17 ASN N    . 7093 1 
      170 . 1 1  17  17 ASN ND2  N 15 112.604 0.400 . 1 . . . .  17 ASN ND2  . 7093 1 
      171 . 1 1  18  18 LYS H    H  1   7.615 0.020 . 1 . . . .  18 LYS H    . 7093 1 
      172 . 1 1  18  18 LYS HA   H  1   3.912 0.020 . 1 . . . .  18 LYS HA   . 7093 1 
      173 . 1 1  18  18 LYS HB2  H  1   1.852 0.020 . 1 . . . .  18 LYS HB2  . 7093 1 
      174 . 1 1  18  18 LYS HB3  H  1   1.852 0.020 . 1 . . . .  18 LYS HB3  . 7093 1 
      175 . 1 1  18  18 LYS HG2  H  1   1.841 0.020 . 2 . . . .  18 LYS HG2  . 7093 1 
      176 . 1 1  18  18 LYS HG3  H  1   1.385 0.020 . 2 . . . .  18 LYS HG3  . 7093 1 
      177 . 1 1  18  18 LYS HD2  H  1   2.164 0.020 . 1 . . . .  18 LYS HD2  . 7093 1 
      178 . 1 1  18  18 LYS HD3  H  1   2.164 0.020 . 1 . . . .  18 LYS HD3  . 7093 1 
      179 . 1 1  18  18 LYS HE2  H  1   2.932 0.020 . 1 . . . .  18 LYS HE2  . 7093 1 
      180 . 1 1  18  18 LYS HE3  H  1   2.932 0.020 . 1 . . . .  18 LYS HE3  . 7093 1 
      181 . 1 1  18  18 LYS CA   C 13  59.667 0.400 . 1 . . . .  18 LYS CA   . 7093 1 
      182 . 1 1  18  18 LYS CB   C 13  33.258 0.400 . 1 . . . .  18 LYS CB   . 7093 1 
      183 . 1 1  18  18 LYS CG   C 13  25.961 0.400 . 1 . . . .  18 LYS CG   . 7093 1 
      184 . 1 1  18  18 LYS CD   C 13  28.741 0.400 . 1 . . . .  18 LYS CD   . 7093 1 
      185 . 1 1  18  18 LYS CE   C 13  41.945 0.400 . 1 . . . .  18 LYS CE   . 7093 1 
      186 . 1 1  18  18 LYS N    N 15 118.747 0.400 . 1 . . . .  18 LYS N    . 7093 1 
      187 . 1 1  19  19 ILE H    H  1   9.084 0.020 . 1 . . . .  19 ILE H    . 7093 1 
      188 . 1 1  19  19 ILE HA   H  1   3.442 0.020 . 1 . . . .  19 ILE HA   . 7093 1 
      189 . 1 1  19  19 ILE HB   H  1   2.198 0.020 . 1 . . . .  19 ILE HB   . 7093 1 
      190 . 1 1  19  19 ILE HG12 H  1   2.084 0.020 . 2 . . . .  19 ILE HG12 . 7093 1 
      191 . 1 1  19  19 ILE HG13 H  1   2.001 0.020 . 2 . . . .  19 ILE HG13 . 7093 1 
      192 . 1 1  19  19 ILE HG21 H  1   0.792 0.020 . 1 . . . .  19 ILE HG2  . 7093 1 
      193 . 1 1  19  19 ILE HG22 H  1   0.792 0.020 . 1 . . . .  19 ILE HG2  . 7093 1 
      194 . 1 1  19  19 ILE HG23 H  1   0.792 0.020 . 1 . . . .  19 ILE HG2  . 7093 1 
      195 . 1 1  19  19 ILE HD11 H  1   0.634 0.020 . 1 . . . .  19 ILE HD1  . 7093 1 
      196 . 1 1  19  19 ILE HD12 H  1   0.634 0.020 . 1 . . . .  19 ILE HD1  . 7093 1 
      197 . 1 1  19  19 ILE HD13 H  1   0.634 0.020 . 1 . . . .  19 ILE HD1  . 7093 1 
      198 . 1 1  19  19 ILE CA   C 13  65.909 0.400 . 1 . . . .  19 ILE CA   . 7093 1 
      199 . 1 1  19  19 ILE CB   C 13  37.776 0.400 . 1 . . . .  19 ILE CB   . 7093 1 
      200 . 1 1  19  19 ILE CG1  C 13  31.521 0.400 . 1 . . . .  19 ILE CG1  . 7093 1 
      201 . 1 1  19  19 ILE CG2  C 13  13.763 0.400 . 1 . . . .  19 ILE CG2  . 7093 1 
      202 . 1 1  19  19 ILE CD1  C 13  16.578 0.400 . 1 . . . .  19 ILE CD1  . 7093 1 
      203 . 1 1  19  19 ILE N    N 15 122.977 0.400 . 1 . . . .  19 ILE N    . 7093 1 
      204 . 1 1  20  20 LEU H    H  1   7.809 0.020 . 1 . . . .  20 LEU H    . 7093 1 
      205 . 1 1  20  20 LEU HA   H  1   4.165 0.020 . 1 . . . .  20 LEU HA   . 7093 1 
      206 . 1 1  20  20 LEU HB2  H  1   1.856 0.020 . 2 . . . .  20 LEU HB2  . 7093 1 
      207 . 1 1  20  20 LEU HB3  H  1   1.640 0.020 . 2 . . . .  20 LEU HB3  . 7093 1 
      208 . 1 1  20  20 LEU HG   H  1   1.885 0.020 . 1 . . . .  20 LEU HG   . 7093 1 
      209 . 1 1  20  20 LEU HD11 H  1   1.031 0.020 . 2 . . . .  20 LEU HD1  . 7093 1 
      210 . 1 1  20  20 LEU HD12 H  1   1.031 0.020 . 2 . . . .  20 LEU HD1  . 7093 1 
      211 . 1 1  20  20 LEU HD13 H  1   1.031 0.020 . 2 . . . .  20 LEU HD1  . 7093 1 
      212 . 1 1  20  20 LEU HD21 H  1   1.032 0.020 . 2 . . . .  20 LEU HD2  . 7093 1 
      213 . 1 1  20  20 LEU HD22 H  1   1.032 0.020 . 2 . . . .  20 LEU HD2  . 7093 1 
      214 . 1 1  20  20 LEU HD23 H  1   1.032 0.020 . 2 . . . .  20 LEU HD2  . 7093 1 
      215 . 1 1  20  20 LEU CA   C 13  57.235 0.400 . 1 . . . .  20 LEU CA   . 7093 1 
      216 . 1 1  20  20 LEU CB   C 13  41.945 0.400 . 1 . . . .  20 LEU CB   . 7093 1 
      217 . 1 1  20  20 LEU CG   C 13  27.351 0.400 . 1 . . . .  20 LEU CG   . 7093 1 
      218 . 1 1  20  20 LEU CD1  C 13  24.918 0.400 . 1 . . . .  20 LEU CD1  . 7093 1 
      219 . 1 1  20  20 LEU CD2  C 13  24.918 0.400 . 1 . . . .  20 LEU CD2  . 7093 1 
      220 . 1 1  20  20 LEU N    N 15 118.995 0.400 . 1 . . . .  20 LEU N    . 7093 1 
      221 . 1 1  22  22 ALA H    H  1   7.938 0.020 . 1 . . . .  22 ALA H    . 7093 1 
      222 . 1 1  22  22 ALA HA   H  1   4.160 0.020 . 1 . . . .  22 ALA HA   . 7093 1 
      223 . 1 1  22  22 ALA HB1  H  1   1.512 0.020 . 1 . . . .  22 ALA HB   . 7093 1 
      224 . 1 1  22  22 ALA HB2  H  1   1.512 0.020 . 1 . . . .  22 ALA HB   . 7093 1 
      225 . 1 1  22  22 ALA HB3  H  1   1.512 0.020 . 1 . . . .  22 ALA HB   . 7093 1 
      226 . 1 1  22  22 ALA CA   C 13  54.769 0.400 . 1 . . . .  22 ALA CA   . 7093 1 
      227 . 1 1  22  22 ALA CB   C 13  17.236 0.400 . 1 . . . .  22 ALA CB   . 7093 1 
      228 . 1 1  22  22 ALA N    N 15 121.003 0.400 . 1 . . . .  22 ALA N    . 7093 1 
      229 . 1 1  23  23 ARG H    H  1   7.736 0.020 . 1 . . . .  23 ARG H    . 7093 1 
      230 . 1 1  23  23 ARG HA   H  1   4.001 0.020 . 1 . . . .  23 ARG HA   . 7093 1 
      231 . 1 1  23  23 ARG HB2  H  1   2.064 0.020 . 1 . . . .  23 ARG HB2  . 7093 1 
      232 . 1 1  23  23 ARG HB3  H  1   2.064 0.020 . 1 . . . .  23 ARG HB3  . 7093 1 
      233 . 1 1  23  23 ARG HE   H  1   7.261 0.020 . 1 . . . .  23 ARG HE   . 7093 1 
      234 . 1 1  23  23 ARG CA   C 13  58.955 0.400 . 1 . . . .  23 ARG CA   . 7093 1 
      235 . 1 1  23  23 ARG CB   C 13  29.436 0.400 . 1 . . . .  23 ARG CB   . 7093 1 
      236 . 1 1  23  23 ARG N    N 15 121.678 0.400 . 1 . . . .  23 ARG N    . 7093 1 
      237 . 1 1  23  23 ARG NE   N 15  85.745 0.400 . 1 . . . .  23 ARG NE   . 7093 1 
      238 . 1 1  24  24 TRP H    H  1   8.307 0.020 . 1 . . . .  24 TRP H    . 7093 1 
      239 . 1 1  24  24 TRP HA   H  1   3.612 0.020 . 1 . . . .  24 TRP HA   . 7093 1 
      240 . 1 1  24  24 TRP HB2  H  1   3.423 0.020 . 2 . . . .  24 TRP HB2  . 7093 1 
      241 . 1 1  24  24 TRP HB3  H  1   3.236 0.020 . 2 . . . .  24 TRP HB3  . 7093 1 
      242 . 1 1  24  24 TRP HD1  H  1   7.309 0.020 . 1 . . . .  24 TRP HD1  . 7093 1 
      243 . 1 1  24  24 TRP HE1  H  1  10.335 0.020 . 1 . . . .  24 TRP HE1  . 7093 1 
      244 . 1 1  24  24 TRP HE3  H  1   7.663 0.020 . 1 . . . .  24 TRP HE3  . 7093 1 
      245 . 1 1  24  24 TRP HZ2  H  1   7.471 0.020 . 1 . . . .  24 TRP HZ2  . 7093 1 
      246 . 1 1  24  24 TRP HZ3  H  1   7.103 0.020 . 1 . . . .  24 TRP HZ3  . 7093 1 
      247 . 1 1  24  24 TRP HH2  H  1   7.201 0.020 . 1 . . . .  24 TRP HH2  . 7093 1 
      248 . 1 1  24  24 TRP CA   C 13  59.667 0.400 . 1 . . . .  24 TRP CA   . 7093 1 
      249 . 1 1  24  24 TRP CB   C 13  25.613 0.400 . 1 . . . .  24 TRP CB   . 7093 1 
      250 . 1 1  24  24 TRP CD1  C 13 126.730 0.400 . 1 . . . .  24 TRP CD1  . 7093 1 
      251 . 1 1  24  24 TRP CE3  C 13 120.626 0.400 . 1 . . . .  24 TRP CE3  . 7093 1 
      252 . 1 1  24  24 TRP CZ2  C 13 113.828 0.400 . 1 . . . .  24 TRP CZ2  . 7093 1 
      253 . 1 1  24  24 TRP CZ3  C 13 120.626 0.400 . 1 . . . .  24 TRP CZ3  . 7093 1 
      254 . 1 1  24  24 TRP CH2  C 13 123.517 0.400 . 1 . . . .  24 TRP CH2  . 7093 1 
      255 . 1 1  24  24 TRP N    N 15 124.172 0.400 . 1 . . . .  24 TRP N    . 7093 1 
      256 . 1 1  24  24 TRP NE1  N 15 130.367 0.400 . 1 . . . .  24 TRP NE1  . 7093 1 
      257 . 1 1  26  26 TRP HD1  H  1   7.248 0.020 . 1 . . . .  26 TRP HD1  . 7093 1 
      258 . 1 1  26  26 TRP HE1  H  1  10.287 0.020 . 1 . . . .  26 TRP HE1  . 7093 1 
      259 . 1 1  26  26 TRP HE3  H  1   7.339 0.020 . 1 . . . .  26 TRP HE3  . 7093 1 
      260 . 1 1  26  26 TRP HZ2  H  1   7.423 0.020 . 1 . . . .  26 TRP HZ2  . 7093 1 
      261 . 1 1  26  26 TRP HZ3  H  1   6.995 0.020 . 1 . . . .  26 TRP HZ3  . 7093 1 
      262 . 1 1  26  26 TRP HH2  H  1   7.139 0.020 . 1 . . . .  26 TRP HH2  . 7093 1 
      263 . 1 1  26  26 TRP CD1  C 13 126.017 0.400 . 1 . . . .  26 TRP CD1  . 7093 1 
      264 . 1 1  26  26 TRP CE3  C 13 119.688 0.400 . 1 . . . .  26 TRP CE3  . 7093 1 
      265 . 1 1  26  26 TRP CZ2  C 13 113.828 0.400 . 1 . . . .  26 TRP CZ2  . 7093 1 
      266 . 1 1  26  26 TRP CZ3  C 13 121.095 0.400 . 1 . . . .  26 TRP CZ3  . 7093 1 
      267 . 1 1  26  26 TRP CH2  C 13 123.673 0.400 . 1 . . . .  26 TRP CH2  . 7093 1 
      268 . 1 1  26  26 TRP NE1  N 15 131.409 0.400 . 1 . . . .  26 TRP NE1  . 7093 1 
      269 . 1 1  27  27 ALA HA   H  1   4.324 0.020 . 1 . . . .  27 ALA HA   . 7093 1 
      270 . 1 1  27  27 ALA HB1  H  1   1.451 0.020 . 1 . . . .  27 ALA HB   . 7093 1 
      271 . 1 1  27  27 ALA HB2  H  1   1.451 0.020 . 1 . . . .  27 ALA HB   . 7093 1 
      272 . 1 1  27  27 ALA HB3  H  1   1.451 0.020 . 1 . . . .  27 ALA HB   . 7093 1 
      273 . 1 1  27  27 ALA CA   C 13  52.370 0.400 . 1 . . . .  27 ALA CA   . 7093 1 
      274 . 1 1  27  27 ALA CB   C 13  19.358 0.400 . 1 . . . .  27 ALA CB   . 7093 1 
      275 . 1 1  30  30 LEU HD11 H  1   0.909 0.020 . 2 . . . .  30 LEU HD1  . 7093 1 
      276 . 1 1  30  30 LEU HD12 H  1   0.909 0.020 . 2 . . . .  30 LEU HD1  . 7093 1 
      277 . 1 1  30  30 LEU HD13 H  1   0.909 0.020 . 2 . . . .  30 LEU HD1  . 7093 1 
      278 . 1 1  30  30 LEU HD21 H  1   0.759 0.020 . 2 . . . .  30 LEU HD2  . 7093 1 
      279 . 1 1  30  30 LEU HD22 H  1   0.759 0.020 . 2 . . . .  30 LEU HD2  . 7093 1 
      280 . 1 1  30  30 LEU HD23 H  1   0.759 0.020 . 2 . . . .  30 LEU HD2  . 7093 1 
      281 . 1 1  31  31 ILE HG21 H  1   0.216 0.020 . 1 . . . .  31 ILE HG2  . 7093 1 
      282 . 1 1  31  31 ILE HG22 H  1   0.216 0.020 . 1 . . . .  31 ILE HG2  . 7093 1 
      283 . 1 1  31  31 ILE HG23 H  1   0.216 0.020 . 1 . . . .  31 ILE HG2  . 7093 1 
      284 . 1 1  31  31 ILE CG2  C 13  15.883 0.400 . 1 . . . .  31 ILE CG2  . 7093 1 
      285 . 1 1  33  33 GLU H    H  1   8.298 0.020 . 1 . . . .  33 GLU H    . 7093 1 
      286 . 1 1  33  33 GLU HB2  H  1   1.972 0.020 . 1 . . . .  33 GLU HB2  . 7093 1 
      287 . 1 1  33  33 GLU HB3  H  1   1.972 0.020 . 1 . . . .  33 GLU HB3  . 7093 1 
      288 . 1 1  33  33 GLU CB   C 13  31.521 0.400 . 1 . . . .  33 GLU CB   . 7093 1 
      289 . 1 1  34  34 ARG HE   H  1   7.136 0.020 . 1 . . . .  34 ARG HE   . 7093 1 
      290 . 1 1  34  34 ARG NE   N 15  84.925 0.400 . 1 . . . .  34 ARG NE   . 7093 1 
      291 . 1 1  35  35 ASN H    H  1   8.549 0.020 . 1 . . . .  35 ASN H    . 7093 1 
      292 . 1 1  35  35 ASN HD21 H  1   7.221 0.020 . 2 . . . .  35 ASN HD21 . 7093 1 
      293 . 1 1  35  35 ASN HD22 H  1   6.647 0.020 . 2 . . . .  35 ASN HD22 . 7093 1 
      294 . 1 1  35  35 ASN N    N 15 115.768 0.400 . 1 . . . .  35 ASN N    . 7093 1 
      295 . 1 1  35  35 ASN ND2  N 15 111.598 0.400 . 1 . . . .  35 ASN ND2  . 7093 1 
      296 . 1 1  36  36 SER H    H  1   8.309 0.020 . 1 . . . .  36 SER H    . 7093 1 
      297 . 1 1  36  36 SER HA   H  1   4.277 0.020 . 1 . . . .  36 SER HA   . 7093 1 
      298 . 1 1  36  36 SER HB2  H  1   4.085 0.020 . 2 . . . .  36 SER HB2  . 7093 1 
      299 . 1 1  36  36 SER HB3  H  1   4.051 0.020 . 2 . . . .  36 SER HB3  . 7093 1 
      300 . 1 1  36  36 SER CA   C 13  61.057 0.400 . 1 . . . .  36 SER CA   . 7093 1 
      301 . 1 1  36  36 SER CB   C 13  62.447 0.400 . 1 . . . .  36 SER CB   . 7093 1 
      302 . 1 1  36  36 SER N    N 15 118.770 0.400 . 1 . . . .  36 SER N    . 7093 1 
      303 . 1 1  37  37 LEU H    H  1   7.215 0.020 . 1 . . . .  37 LEU H    . 7093 1 
      304 . 1 1  37  37 LEU HA   H  1   4.466 0.020 . 1 . . . .  37 LEU HA   . 7093 1 
      305 . 1 1  37  37 LEU HB2  H  1   1.984 0.020 . 2 . . . .  37 LEU HB2  . 7093 1 
      306 . 1 1  37  37 LEU HB3  H  1   1.425 0.020 . 2 . . . .  37 LEU HB3  . 7093 1 
      307 . 1 1  37  37 LEU HG   H  1   1.893 0.020 . 1 . . . .  37 LEU HG   . 7093 1 
      308 . 1 1  37  37 LEU HD11 H  1   0.890 0.020 . 2 . . . .  37 LEU HD1  . 7093 1 
      309 . 1 1  37  37 LEU HD12 H  1   0.890 0.020 . 2 . . . .  37 LEU HD1  . 7093 1 
      310 . 1 1  37  37 LEU HD13 H  1   0.890 0.020 . 2 . . . .  37 LEU HD1  . 7093 1 
      311 . 1 1  37  37 LEU HD21 H  1   0.816 0.020 . 2 . . . .  37 LEU HD2  . 7093 1 
      312 . 1 1  37  37 LEU HD22 H  1   0.816 0.020 . 2 . . . .  37 LEU HD2  . 7093 1 
      313 . 1 1  37  37 LEU HD23 H  1   0.816 0.020 . 2 . . . .  37 LEU HD2  . 7093 1 
      314 . 1 1  37  37 LEU CA   C 13  55.498 0.400 . 1 . . . .  37 LEU CA   . 7093 1 
      315 . 1 1  37  37 LEU CB   C 13  40.903 0.400 . 1 . . . .  37 LEU CB   . 7093 1 
      316 . 1 1  37  37 LEU CG   C 13  26.308 0.400 . 1 . . . .  37 LEU CG   . 7093 1 
      317 . 1 1  37  37 LEU CD1  C 13  22.486 0.400 . 1 . . . .  37 LEU CD1  . 7093 1 
      318 . 1 1  37  37 LEU CD2  C 13  26.308 0.400 . 1 . . . .  37 LEU CD2  . 7093 1 
      319 . 1 1  37  37 LEU N    N 15 120.901 0.400 . 1 . . . .  37 LEU N    . 7093 1 
      320 . 1 1  38  38 ALA H    H  1   7.695 0.020 . 1 . . . .  38 ALA H    . 7093 1 
      321 . 1 1  38  38 ALA HA   H  1   4.042 0.020 . 1 . . . .  38 ALA HA   . 7093 1 
      322 . 1 1  38  38 ALA HB1  H  1   1.542 0.020 . 1 . . . .  38 ALA HB   . 7093 1 
      323 . 1 1  38  38 ALA HB2  H  1   1.542 0.020 . 1 . . . .  38 ALA HB   . 7093 1 
      324 . 1 1  38  38 ALA HB3  H  1   1.542 0.020 . 1 . . . .  38 ALA HB   . 7093 1 
      325 . 1 1  38  38 ALA CA   C 13  55.131 0.400 . 1 . . . .  38 ALA CA   . 7093 1 
      326 . 1 1  38  38 ALA CB   C 13  20.054 0.400 . 1 . . . .  38 ALA CB   . 7093 1 
      327 . 1 1  38  38 ALA N    N 15 122.111 0.400 . 1 . . . .  38 ALA N    . 7093 1 
      328 . 1 1  39  39 LYS H    H  1   7.498 0.020 . 1 . . . .  39 LYS H    . 7093 1 
      329 . 1 1  39  39 LYS HA   H  1   3.301 0.020 . 1 . . . .  39 LYS HA   . 7093 1 
      330 . 1 1  39  39 LYS HB2  H  1   1.468 0.020 . 2 . . . .  39 LYS HB2  . 7093 1 
      331 . 1 1  39  39 LYS HB3  H  1   1.376 0.020 . 2 . . . .  39 LYS HB3  . 7093 1 
      332 . 1 1  39  39 LYS HG2  H  1   1.026 0.020 . 2 . . . .  39 LYS HG2  . 7093 1 
      333 . 1 1  39  39 LYS HG3  H  1   0.994 0.020 . 2 . . . .  39 LYS HG3  . 7093 1 
      334 . 1 1  39  39 LYS HD2  H  1   2.178 0.020 . 2 . . . .  39 LYS HD2  . 7093 1 
      335 . 1 1  39  39 LYS HD3  H  1   1.496 0.020 . 2 . . . .  39 LYS HD3  . 7093 1 
      336 . 1 1  39  39 LYS HE2  H  1   2.911 0.020 . 1 . . . .  39 LYS HE2  . 7093 1 
      337 . 1 1  39  39 LYS HE3  H  1   2.911 0.020 . 1 . . . .  39 LYS HE3  . 7093 1 
      338 . 1 1  39  39 LYS CA   C 13  58.972 0.400 . 1 . . . .  39 LYS CA   . 7093 1 
      339 . 1 1  39  39 LYS CB   C 13  31.173 0.400 . 1 . . . .  39 LYS CB   . 7093 1 
      340 . 1 1  39  39 LYS CG   C 13  23.528 0.400 . 1 . . . .  39 LYS CG   . 7093 1 
      341 . 1 1  39  39 LYS CD   C 13  29.088 0.400 . 1 . . . .  39 LYS CD   . 7093 1 
      342 . 1 1  39  39 LYS CE   C 13  41.571 0.400 . 1 . . . .  39 LYS CE   . 7093 1 
      343 . 1 1  39  39 LYS N    N 15 116.872 0.400 . 1 . . . .  39 LYS N    . 7093 1 
      344 . 1 1  40  40 ASP H    H  1   7.301 0.020 . 1 . . . .  40 ASP H    . 7093 1 
      345 . 1 1  40  40 ASP HA   H  1   4.220 0.020 . 1 . . . .  40 ASP HA   . 7093 1 
      346 . 1 1  40  40 ASP HB2  H  1   2.661 0.020 . 2 . . . .  40 ASP HB2  . 7093 1 
      347 . 1 1  40  40 ASP HB3  H  1   2.499 0.020 . 2 . . . .  40 ASP HB3  . 7093 1 
      348 . 1 1  40  40 ASP CA   C 13  56.192 0.400 . 1 . . . .  40 ASP CA   . 7093 1 
      349 . 1 1  40  40 ASP CB   C 13  40.208 0.400 . 1 . . . .  40 ASP CB   . 7093 1 
      350 . 1 1  40  40 ASP N    N 15 119.593 0.400 . 1 . . . .  40 ASP N    . 7093 1 
      351 . 1 1  41  41 VAL H    H  1   8.297 0.020 . 1 . . . .  41 VAL H    . 7093 1 
      352 . 1 1  41  41 VAL HA   H  1   3.455 0.020 . 1 . . . .  41 VAL HA   . 7093 1 
      353 . 1 1  41  41 VAL HB   H  1   1.997 0.020 . 1 . . . .  41 VAL HB   . 7093 1 
      354 . 1 1  41  41 VAL HG11 H  1   0.931 0.020 . 2 . . . .  41 VAL HG1  . 7093 1 
      355 . 1 1  41  41 VAL HG12 H  1   0.931 0.020 . 2 . . . .  41 VAL HG1  . 7093 1 
      356 . 1 1  41  41 VAL HG13 H  1   0.931 0.020 . 2 . . . .  41 VAL HG1  . 7093 1 
      357 . 1 1  41  41 VAL HG21 H  1   0.825 0.020 . 2 . . . .  41 VAL HG2  . 7093 1 
      358 . 1 1  41  41 VAL HG22 H  1   0.825 0.020 . 2 . . . .  41 VAL HG2  . 7093 1 
      359 . 1 1  41  41 VAL HG23 H  1   0.825 0.020 . 2 . . . .  41 VAL HG2  . 7093 1 
      360 . 1 1  41  41 VAL CA   C 13  65.918 0.400 . 1 . . . .  41 VAL CA   . 7093 1 
      361 . 1 1  41  41 VAL CB   C 13  31.173 0.400 . 1 . . . .  41 VAL CB   . 7093 1 
      362 . 1 1  41  41 VAL CG1  C 13  18.316 0.400 . 1 . . . .  41 VAL CG1  . 7093 1 
      363 . 1 1  41  41 VAL CG2  C 13  21.443 0.400 . 1 . . . .  41 VAL CG2  . 7093 1 
      364 . 1 1  41  41 VAL N    N 15 119.171 0.400 . 1 . . . .  41 VAL N    . 7093 1 
      365 . 1 1  42  42 ALA H    H  1   8.412 0.020 . 1 . . . .  42 ALA H    . 7093 1 
      366 . 1 1  42  42 ALA HA   H  1   4.034 0.020 . 1 . . . .  42 ALA HA   . 7093 1 
      367 . 1 1  42  42 ALA HB1  H  1   1.567 0.020 . 1 . . . .  42 ALA HB   . 7093 1 
      368 . 1 1  42  42 ALA HB2  H  1   1.567 0.020 . 1 . . . .  42 ALA HB   . 7093 1 
      369 . 1 1  42  42 ALA HB3  H  1   1.567 0.020 . 1 . . . .  42 ALA HB   . 7093 1 
      370 . 1 1  42  42 ALA CA   C 13  55.125 0.400 . 1 . . . .  42 ALA CA   . 7093 1 
      371 . 1 1  42  42 ALA CB   C 13  18.278 0.400 . 1 . . . .  42 ALA CB   . 7093 1 
      372 . 1 1  42  42 ALA N    N 15 123.572 0.400 . 1 . . . .  42 ALA N    . 7093 1 
      373 . 1 1  43  43 GLU H    H  1   7.827 0.020 . 1 . . . .  43 GLU H    . 7093 1 
      374 . 1 1  43  43 GLU HA   H  1   4.070 0.020 . 1 . . . .  43 GLU HA   . 7093 1 
      375 . 1 1  43  43 GLU HB2  H  1   2.166 0.020 . 2 . . . .  43 GLU HB2  . 7093 1 
      376 . 1 1  43  43 GLU HB3  H  1   1.766 0.020 . 2 . . . .  43 GLU HB3  . 7093 1 
      377 . 1 1  43  43 GLU HG2  H  1   1.866 0.020 . 1 . . . .  43 GLU HG2  . 7093 1 
      378 . 1 1  43  43 GLU HG3  H  1   1.866 0.020 . 1 . . . .  43 GLU HG3  . 7093 1 
      379 . 1 1  43  43 GLU CA   C 13  59.320 0.400 . 1 . . . .  43 GLU CA   . 7093 1 
      380 . 1 1  43  43 GLU CB   C 13  30.826 0.400 . 1 . . . .  43 GLU CB   . 7093 1 
      381 . 1 1  43  43 GLU CG   C 13  37.751 0.400 . 1 . . . .  43 GLU CG   . 7093 1 
      382 . 1 1  43  43 GLU N    N 15 117.496 0.400 . 1 . . . .  43 GLU N    . 7093 1 
      383 . 1 1  44  44 ILE H    H  1   7.344 0.020 . 1 . . . .  44 ILE H    . 7093 1 
      384 . 1 1  44  44 ILE HA   H  1   3.863 0.020 . 1 . . . .  44 ILE HA   . 7093 1 
      385 . 1 1  44  44 ILE HB   H  1   1.871 0.020 . 1 . . . .  44 ILE HB   . 7093 1 
      386 . 1 1  44  44 ILE HG12 H  1   1.138 0.020 . 2 . . . .  44 ILE HG12 . 7093 1 
      387 . 1 1  44  44 ILE HG21 H  1   0.867 0.020 . 1 . . . .  44 ILE HG2  . 7093 1 
      388 . 1 1  44  44 ILE HG22 H  1   0.867 0.020 . 1 . . . .  44 ILE HG2  . 7093 1 
      389 . 1 1  44  44 ILE HG23 H  1   0.867 0.020 . 1 . . . .  44 ILE HG2  . 7093 1 
      390 . 1 1  44  44 ILE HD11 H  1   0.792 0.020 . 1 . . . .  44 ILE HD1  . 7093 1 
      391 . 1 1  44  44 ILE HD12 H  1   0.792 0.020 . 1 . . . .  44 ILE HD1  . 7093 1 
      392 . 1 1  44  44 ILE HD13 H  1   0.792 0.020 . 1 . . . .  44 ILE HD1  . 7093 1 
      393 . 1 1  44  44 ILE CA   C 13  63.452 0.400 . 1 . . . .  44 ILE CA   . 7093 1 
      394 . 1 1  44  44 ILE CB   C 13  37.751 0.400 . 1 . . . .  44 ILE CB   . 7093 1 
      395 . 1 1  44  44 ILE CG1  C 13  28.741 0.400 . 1 . . . .  44 ILE CG1  . 7093 1 
      396 . 1 1  44  44 ILE CG2  C 13  18.316 0.400 . 1 . . . .  44 ILE CG2  . 7093 1 
      397 . 1 1  44  44 ILE CD1  C 13  13.763 0.400 . 1 . . . .  44 ILE CD1  . 7093 1 
      398 . 1 1  44  44 ILE N    N 15 120.066 0.400 . 1 . . . .  44 ILE N    . 7093 1 
      399 . 1 1  45  45 LYS H    H  1   8.644 0.020 . 1 . . . .  45 LYS H    . 7093 1 
      400 . 1 1  45  45 LYS HA   H  1   3.745 0.020 . 1 . . . .  45 LYS HA   . 7093 1 
      401 . 1 1  45  45 LYS HB2  H  1   2.169 0.020 . 2 . . . .  45 LYS HB2  . 7093 1 
      402 . 1 1  45  45 LYS HB3  H  1   1.757 0.020 . 2 . . . .  45 LYS HB3  . 7093 1 
      403 . 1 1  45  45 LYS HG2  H  1   1.664 0.020 . 2 . . . .  45 LYS HG2  . 7093 1 
      404 . 1 1  45  45 LYS HG3  H  1   0.913 0.020 . 2 . . . .  45 LYS HG3  . 7093 1 
      405 . 1 1  45  45 LYS CA   C 13  60.710 0.400 . 1 . . . .  45 LYS CA   . 7093 1 
      406 . 1 1  45  45 LYS CB   C 13  30.826 0.400 . 1 . . . .  45 LYS CB   . 7093 1 
      407 . 1 1  45  45 LYS CG   C 13  27.351 0.400 . 1 . . . .  45 LYS CG   . 7093 1 
      408 . 1 1  45  45 LYS N    N 15 120.687 0.400 . 1 . . . .  45 LYS N    . 7093 1 
      409 . 1 1  46  46 ASN H    H  1   8.662 0.020 . 1 . . . .  46 ASN H    . 7093 1 
      410 . 1 1  46  46 ASN HA   H  1   4.512 0.020 . 1 . . . .  46 ASN HA   . 7093 1 
      411 . 1 1  46  46 ASN HB2  H  1   2.910 0.020 . 1 . . . .  46 ASN HB2  . 7093 1 
      412 . 1 1  46  46 ASN HB3  H  1   2.910 0.020 . 1 . . . .  46 ASN HB3  . 7093 1 
      413 . 1 1  46  46 ASN HD21 H  1   8.022 0.020 . 2 . . . .  46 ASN HD21 . 7093 1 
      414 . 1 1  46  46 ASN HD22 H  1   7.052 0.020 . 2 . . . .  46 ASN HD22 . 7093 1 
      415 . 1 1  46  46 ASN CB   C 13  39.165 0.400 . 1 . . . .  46 ASN CB   . 7093 1 
      416 . 1 1  46  46 ASN N    N 15 117.451 0.400 . 1 . . . .  46 ASN N    . 7093 1 
      417 . 1 1  46  46 ASN ND2  N 15 115.666 0.400 . 1 . . . .  46 ASN ND2  . 7093 1 
      418 . 1 1  47  47 GLN H    H  1   7.716 0.020 . 1 . . . .  47 GLN H    . 7093 1 
      419 . 1 1  47  47 GLN HA   H  1   4.041 0.020 . 1 . . . .  47 GLN HA   . 7093 1 
      420 . 1 1  47  47 GLN HB2  H  1   2.294 0.020 . 2 . . . .  47 GLN HB2  . 7093 1 
      421 . 1 1  47  47 GLN HB3  H  1   2.198 0.020 . 2 . . . .  47 GLN HB3  . 7093 1 
      422 . 1 1  47  47 GLN HG2  H  1   2.613 0.020 . 2 . . . .  47 GLN HG2  . 7093 1 
      423 . 1 1  47  47 GLN HG3  H  1   2.445 0.020 . 2 . . . .  47 GLN HG3  . 7093 1 
      424 . 1 1  47  47 GLN HE21 H  1   7.591 0.020 . 2 . . . .  47 GLN HE21 . 7093 1 
      425 . 1 1  47  47 GLN HE22 H  1   6.785 0.020 . 2 . . . .  47 GLN HE22 . 7093 1 
      426 . 1 1  47  47 GLN CA   C 13  58.277 0.400 . 1 . . . .  47 GLN CA   . 7093 1 
      427 . 1 1  47  47 GLN CB   C 13  28.046 0.400 . 1 . . . .  47 GLN CB   . 7093 1 
      428 . 1 1  47  47 GLN CG   C 13  33.606 0.400 . 1 . . . .  47 GLN CG   . 7093 1 
      429 . 1 1  47  47 GLN N    N 15 119.142 0.400 . 1 . . . .  47 GLN N    . 7093 1 
      430 . 1 1  47  47 GLN NE2  N 15 112.714 0.400 . 1 . . . .  47 GLN NE2  . 7093 1 
      431 . 1 1  48  48 LEU H    H  1   7.943 0.020 . 1 . . . .  48 LEU H    . 7093 1 
      432 . 1 1  48  48 LEU HA   H  1   4.352 0.020 . 1 . . . .  48 LEU HA   . 7093 1 
      433 . 1 1  48  48 LEU HB2  H  1   1.714 0.020 . 2 . . . .  48 LEU HB2  . 7093 1 
      434 . 1 1  48  48 LEU HB3  H  1   1.638 0.020 . 2 . . . .  48 LEU HB3  . 7093 1 
      435 . 1 1  48  48 LEU HG   H  1   1.825 0.020 . 1 . . . .  48 LEU HG   . 7093 1 
      436 . 1 1  48  48 LEU HD11 H  1   0.829 0.020 . 2 . . . .  48 LEU HD1  . 7093 1 
      437 . 1 1  48  48 LEU HD12 H  1   0.829 0.020 . 2 . . . .  48 LEU HD1  . 7093 1 
      438 . 1 1  48  48 LEU HD13 H  1   0.829 0.020 . 2 . . . .  48 LEU HD1  . 7093 1 
      439 . 1 1  48  48 LEU HD21 H  1   0.709 0.020 . 2 . . . .  48 LEU HD2  . 7093 1 
      440 . 1 1  48  48 LEU HD22 H  1   0.709 0.020 . 2 . . . .  48 LEU HD2  . 7093 1 
      441 . 1 1  48  48 LEU HD23 H  1   0.709 0.020 . 2 . . . .  48 LEU HD2  . 7093 1 
      442 . 1 1  48  48 LEU CA   C 13  54.786 0.400 . 1 . . . .  48 LEU CA   . 7093 1 
      443 . 1 1  48  48 LEU CB   C 13  43.335 0.400 . 1 . . . .  48 LEU CB   . 7093 1 
      444 . 1 1  48  48 LEU CG   C 13  26.308 0.400 . 1 . . . .  48 LEU CG   . 7093 1 
      445 . 1 1  48  48 LEU CD1  C 13  25.961 0.400 . 1 . . . .  48 LEU CD1  . 7093 1 
      446 . 1 1  48  48 LEU CD2  C 13  25.613 0.400 . 1 . . . .  48 LEU CD2  . 7093 1 
      447 . 1 1  48  48 LEU N    N 15 117.191 0.400 . 1 . . . .  48 LEU N    . 7093 1 
      448 . 1 1  49  49 GLY H    H  1   7.982 0.020 . 1 . . . .  49 GLY H    . 7093 1 
      449 . 1 1  49  49 GLY HA2  H  1   3.946 0.020 . 1 . . . .  49 GLY HA2  . 7093 1 
      450 . 1 1  49  49 GLY HA3  H  1   3.946 0.020 . 1 . . . .  49 GLY HA3  . 7093 1 
      451 . 1 1  49  49 GLY CA   C 13  46.115 0.400 . 1 . . . .  49 GLY CA   . 7093 1 
      452 . 1 1  49  49 GLY N    N 15 111.444 0.400 . 1 . . . .  49 GLY N    . 7093 1 
      453 . 1 1  50  50 ILE H    H  1   7.803 0.020 . 1 . . . .  50 ILE H    . 7093 1 
      454 . 1 1  50  50 ILE HA   H  1   3.746 0.020 . 1 . . . .  50 ILE HA   . 7093 1 
      455 . 1 1  50  50 ILE HB   H  1   1.733 0.020 . 1 . . . .  50 ILE HB   . 7093 1 
      456 . 1 1  50  50 ILE HG12 H  1   1.439 0.020 . 2 . . . .  50 ILE HG12 . 7093 1 
      457 . 1 1  50  50 ILE HG13 H  1   1.033 0.020 . 2 . . . .  50 ILE HG13 . 7093 1 
      458 . 1 1  50  50 ILE HG21 H  1   0.968 0.020 . 1 . . . .  50 ILE HG2  . 7093 1 
      459 . 1 1  50  50 ILE HG22 H  1   0.968 0.020 . 1 . . . .  50 ILE HG2  . 7093 1 
      460 . 1 1  50  50 ILE HG23 H  1   0.968 0.020 . 1 . . . .  50 ILE HG2  . 7093 1 
      461 . 1 1  50  50 ILE HD11 H  1   0.831 0.020 . 1 . . . .  50 ILE HD1  . 7093 1 
      462 . 1 1  50  50 ILE HD12 H  1   0.831 0.020 . 1 . . . .  50 ILE HD1  . 7093 1 
      463 . 1 1  50  50 ILE HD13 H  1   0.831 0.020 . 1 . . . .  50 ILE HD1  . 7093 1 
      464 . 1 1  50  50 ILE CA   C 13  60.710 0.400 . 1 . . . .  50 ILE CA   . 7093 1 
      465 . 1 1  50  50 ILE CB   C 13  39.165 0.400 . 1 . . . .  50 ILE CB   . 7093 1 
      466 . 1 1  50  50 ILE CG1  C 13  25.961 0.400 . 1 . . . .  50 ILE CG1  . 7093 1 
      467 . 1 1  50  50 ILE CG2  C 13  16.231 0.400 . 1 . . . .  50 ILE CG2  . 7093 1 
      468 . 1 1  50  50 ILE CD1  C 13  13.451 0.400 . 1 . . . .  50 ILE CD1  . 7093 1 
      469 . 1 1  50  50 ILE N    N 15 119.446 0.400 . 1 . . . .  50 ILE N    . 7093 1 
      470 . 1 1  51  51 PRO HA   H  1   4.428 0.020 . 1 . . . .  51 PRO HA   . 7093 1 
      471 . 1 1  51  51 PRO HB2  H  1   2.389 0.020 . 2 . . . .  51 PRO HB2  . 7093 1 
      472 . 1 1  51  51 PRO HB3  H  1   2.014 0.020 . 2 . . . .  51 PRO HB3  . 7093 1 
      473 . 1 1  51  51 PRO HG2  H  1   2.086 0.020 . 2 . . . .  51 PRO HG2  . 7093 1 
      474 . 1 1  51  51 PRO HG3  H  1   1.990 0.020 . 2 . . . .  51 PRO HG3  . 7093 1 
      475 . 1 1  51  51 PRO HD2  H  1   3.889 0.020 . 2 . . . .  51 PRO HD2  . 7093 1 
      476 . 1 1  51  51 PRO HD3  H  1   3.666 0.020 . 2 . . . .  51 PRO HD3  . 7093 1 
      477 . 1 1  51  51 PRO CA   C 13  61.715 0.400 . 1 . . . .  51 PRO CA   . 7093 1 
      478 . 1 1  51  51 PRO CB   C 13  32.194 0.400 . 1 . . . .  51 PRO CB   . 7093 1 
      479 . 1 1  51  51 PRO CG   C 13  26.984 0.400 . 1 . . . .  51 PRO CG   . 7093 1 
      480 . 1 1  51  51 PRO CD   C 13  50.601 0.400 . 1 . . . .  51 PRO CD   . 7093 1 
      481 . 1 1  52  52 ILE H    H  1   8.192 0.020 . 1 . . . .  52 ILE H    . 7093 1 
      482 . 1 1  52  52 ILE HA   H  1   3.460 0.020 . 1 . . . .  52 ILE HA   . 7093 1 
      483 . 1 1  52  52 ILE HB   H  1   1.673 0.020 . 1 . . . .  52 ILE HB   . 7093 1 
      484 . 1 1  52  52 ILE HG12 H  1   1.692 0.020 . 2 . . . .  52 ILE HG12 . 7093 1 
      485 . 1 1  52  52 ILE HG13 H  1   1.215 0.020 . 2 . . . .  52 ILE HG13 . 7093 1 
      486 . 1 1  52  52 ILE HG21 H  1   0.868 0.020 . 1 . . . .  52 ILE HG2  . 7093 1 
      487 . 1 1  52  52 ILE HG22 H  1   0.868 0.020 . 1 . . . .  52 ILE HG2  . 7093 1 
      488 . 1 1  52  52 ILE HG23 H  1   0.868 0.020 . 1 . . . .  52 ILE HG2  . 7093 1 
      489 . 1 1  52  52 ILE HD11 H  1   0.890 0.020 . 1 . . . .  52 ILE HD1  . 7093 1 
      490 . 1 1  52  52 ILE HD12 H  1   0.890 0.020 . 1 . . . .  52 ILE HD1  . 7093 1 
      491 . 1 1  52  52 ILE HD13 H  1   0.890 0.020 . 1 . . . .  52 ILE HD1  . 7093 1 
      492 . 1 1  52  52 ILE CA   C 13  64.185 0.400 . 1 . . . .  52 ILE CA   . 7093 1 
      493 . 1 1  52  52 ILE CB   C 13  37.751 0.400 . 1 . . . .  52 ILE CB   . 7093 1 
      494 . 1 1  52  52 ILE CG1  C 13  28.046 0.400 . 1 . . . .  52 ILE CG1  . 7093 1 
      495 . 1 1  52  52 ILE CG2  C 13  16.578 0.400 . 1 . . . .  52 ILE CG2  . 7093 1 
      496 . 1 1  52  52 ILE CD1  C 13  12.408 0.400 . 1 . . . .  52 ILE CD1  . 7093 1 
      497 . 1 1  52  52 ILE N    N 15 119.942 0.400 . 1 . . . .  52 ILE N    . 7093 1 
      498 . 1 1  53  53 ASN HB2  H  1   2.663 0.020 . 1 . . . .  53 ASN HB2  . 7093 1 
      499 . 1 1  53  53 ASN HB3  H  1   2.663 0.020 . 1 . . . .  53 ASN HB3  . 7093 1 
      500 . 1 1  53  53 ASN HD21 H  1   7.451 0.020 . 2 . . . .  53 ASN HD21 . 7093 1 
      501 . 1 1  53  53 ASN HD22 H  1   6.834 0.020 . 2 . . . .  53 ASN HD22 . 7093 1 
      502 . 1 1  53  53 ASN CB   C 13  38.818 0.400 . 1 . . . .  53 ASN CB   . 7093 1 
      503 . 1 1  53  53 ASN ND2  N 15 112.842 0.400 . 1 . . . .  53 ASN ND2  . 7093 1 
      504 . 1 1  54  54 ASP H    H  1   9.584 0.020 . 1 . . . .  54 ASP H    . 7093 1 
      505 . 1 1  54  54 ASP HA   H  1   5.107 0.020 . 1 . . . .  54 ASP HA   . 7093 1 
      506 . 1 1  54  54 ASP HB2  H  1   2.920 0.020 . 2 . . . .  54 ASP HB2  . 7093 1 
      507 . 1 1  54  54 ASP HB3  H  1   2.483 0.020 . 2 . . . .  54 ASP HB3  . 7093 1 
      508 . 1 1  54  54 ASP CA   C 13  49.938 0.400 . 1 . . . .  54 ASP CA   . 7093 1 
      509 . 1 1  54  54 ASP CB   C 13  41.250 0.400 . 1 . . . .  54 ASP CB   . 7093 1 
      510 . 1 1  54  54 ASP N    N 15 126.040 0.400 . 1 . . . .  54 ASP N    . 7093 1 
      511 . 1 1  55  55 PRO HA   H  1   4.174 0.020 . 1 . . . .  55 PRO HA   . 7093 1 
      512 . 1 1  55  55 PRO HB2  H  1   2.435 0.020 . 2 . . . .  55 PRO HB2  . 7093 1 
      513 . 1 1  55  55 PRO HB3  H  1   2.016 0.020 . 2 . . . .  55 PRO HB3  . 7093 1 
      514 . 1 1  55  55 PRO HG2  H  1   2.133 0.020 . 2 . . . .  55 PRO HG2  . 7093 1 
      515 . 1 1  55  55 PRO HG3  H  1   1.997 0.020 . 2 . . . .  55 PRO HG3  . 7093 1 
      516 . 1 1  55  55 PRO HD2  H  1   3.943 0.020 . 2 . . . .  55 PRO HD2  . 7093 1 
      517 . 1 1  55  55 PRO HD3  H  1   3.411 0.020 . 2 . . . .  55 PRO HD3  . 7093 1 
      518 . 1 1  55  55 PRO CA   C 13  64.146 0.400 . 1 . . . .  55 PRO CA   . 7093 1 
      519 . 1 1  55  55 PRO CB   C 13  31.846 0.400 . 1 . . . .  55 PRO CB   . 7093 1 
      520 . 1 1  55  55 PRO CG   C 13  26.637 0.400 . 1 . . . .  55 PRO CG   . 7093 1 
      521 . 1 1  55  55 PRO CD   C 13  49.938 0.400 . 1 . . . .  55 PRO CD   . 7093 1 
      522 . 1 1  56  56 GLU H    H  1   7.821 0.020 . 1 . . . .  56 GLU H    . 7093 1 
      523 . 1 1  56  56 GLU HA   H  1   4.112 0.020 . 1 . . . .  56 GLU HA   . 7093 1 
      524 . 1 1  56  56 GLU HB2  H  1   2.118 0.020 . 1 . . . .  56 GLU HB2  . 7093 1 
      525 . 1 1  56  56 GLU HB3  H  1   2.118 0.020 . 1 . . . .  56 GLU HB3  . 7093 1 
      526 . 1 1  56  56 GLU HG2  H  1   2.339 0.020 . 2 . . . .  56 GLU HG2  . 7093 1 
      527 . 1 1  56  56 GLU HG3  H  1   2.262 0.020 . 2 . . . .  56 GLU HG3  . 7093 1 
      528 . 1 1  56  56 GLU CA   C 13  58.972 0.400 . 1 . . . .  56 GLU CA   . 7093 1 
      529 . 1 1  56  56 GLU CB   C 13  28.741 0.400 . 1 . . . .  56 GLU CB   . 7093 1 
      530 . 1 1  56  56 GLU CG   C 13  36.386 0.400 . 1 . . . .  56 GLU CG   . 7093 1 
      531 . 1 1  56  56 GLU N    N 15 120.297 0.400 . 1 . . . .  56 GLU N    . 7093 1 
      532 . 1 1  57  57 ARG H    H  1   7.606 0.020 . 1 . . . .  57 ARG H    . 7093 1 
      533 . 1 1  57  57 ARG HA   H  1   4.314 0.020 . 1 . . . .  57 ARG HA   . 7093 1 
      534 . 1 1  57  57 ARG HB2  H  1   1.828 0.020 . 1 . . . .  57 ARG HB2  . 7093 1 
      535 . 1 1  57  57 ARG HB3  H  1   1.828 0.020 . 1 . . . .  57 ARG HB3  . 7093 1 
      536 . 1 1  57  57 ARG HD2  H  1   2.707 0.020 . 1 . . . .  57 ARG HD2  . 7093 1 
      537 . 1 1  57  57 ARG HD3  H  1   2.707 0.020 . 1 . . . .  57 ARG HD3  . 7093 1 
      538 . 1 1  57  57 ARG HE   H  1   8.021 0.020 . 1 . . . .  57 ARG HE   . 7093 1 
      539 . 1 1  57  57 ARG CA   C 13  56.540 0.400 . 1 . . . .  57 ARG CA   . 7093 1 
      540 . 1 1  57  57 ARG CB   C 13  28.741 0.400 . 1 . . . .  57 ARG CB   . 7093 1 
      541 . 1 1  57  57 ARG CD   C 13  42.640 0.400 . 1 . . . .  57 ARG CD   . 7093 1 
      542 . 1 1  57  57 ARG N    N 15 124.051 0.400 . 1 . . . .  57 ARG N    . 7093 1 
      543 . 1 1  57  57 ARG NE   N 15  85.054 0.400 . 1 . . . .  57 ARG NE   . 7093 1 
      544 . 1 1  58  58 GLU H    H  1   8.080 0.020 . 1 . . . .  58 GLU H    . 7093 1 
      545 . 1 1  58  58 GLU HA   H  1   3.646 0.020 . 1 . . . .  58 GLU HA   . 7093 1 
      546 . 1 1  58  58 GLU HB2  H  1   2.068 0.020 . 2 . . . .  58 GLU HB2  . 7093 1 
      547 . 1 1  58  58 GLU HB3  H  1   1.880 0.020 . 2 . . . .  58 GLU HB3  . 7093 1 
      548 . 1 1  58  58 GLU CA   C 13  60.362 0.400 . 1 . . . .  58 GLU CA   . 7093 1 
      549 . 1 1  58  58 GLU N    N 15 118.768 0.400 . 1 . . . .  58 GLU N    . 7093 1 
      550 . 1 1  59  59 LYS H    H  1   7.956 0.020 . 1 . . . .  59 LYS H    . 7093 1 
      551 . 1 1  59  59 LYS HA   H  1   4.116 0.020 . 1 . . . .  59 LYS HA   . 7093 1 
      552 . 1 1  59  59 LYS HG2  H  1   1.600 0.020 . 2 . . . .  59 LYS HG2  . 7093 1 
      553 . 1 1  59  59 LYS HG3  H  1   1.475 0.020 . 2 . . . .  59 LYS HG3  . 7093 1 
      554 . 1 1  59  59 LYS HD2  H  1   1.651 0.020 . 1 . . . .  59 LYS HD2  . 7093 1 
      555 . 1 1  59  59 LYS HD3  H  1   1.651 0.020 . 1 . . . .  59 LYS HD3  . 7093 1 
      556 . 1 1  59  59 LYS HE2  H  1   3.029 0.020 . 2 . . . .  59 LYS HE2  . 7093 1 
      557 . 1 1  59  59 LYS HE3  H  1   2.879 0.020 . 2 . . . .  59 LYS HE3  . 7093 1 
      558 . 1 1  59  59 LYS CA   C 13  59.667 0.400 . 1 . . . .  59 LYS CA   . 7093 1 
      559 . 1 1  59  59 LYS CG   C 13  24.571 0.400 . 1 . . . .  59 LYS CG   . 7093 1 
      560 . 1 1  59  59 LYS CD   C 13  29.088 0.400 . 1 . . . .  59 LYS CD   . 7093 1 
      561 . 1 1  59  59 LYS N    N 15 119.154 0.400 . 1 . . . .  59 LYS N    . 7093 1 
      562 . 1 1  60  60 TYR H    H  1   7.470 0.020 . 1 . . . .  60 TYR H    . 7093 1 
      563 . 1 1  60  60 TYR HA   H  1   4.218 0.020 . 1 . . . .  60 TYR HA   . 7093 1 
      564 . 1 1  60  60 TYR HB2  H  1   3.488 0.020 . 2 . . . .  60 TYR HB2  . 7093 1 
      565 . 1 1  60  60 TYR HB3  H  1   3.155 0.020 . 2 . . . .  60 TYR HB3  . 7093 1 
      566 . 1 1  60  60 TYR HD1  H  1   7.090 0.020 . 1 . . . .  60 TYR HD1  . 7093 1 
      567 . 1 1  60  60 TYR HE1  H  1   6.891 0.020 . 1 . . . .  60 TYR HE1  . 7093 1 
      568 . 1 1  60  60 TYR CA   C 13  60.710 0.400 . 1 . . . .  60 TYR CA   . 7093 1 
      569 . 1 1  60  60 TYR CB   C 13  36.733 0.400 . 1 . . . .  60 TYR CB   . 7093 1 
      570 . 1 1  60  60 TYR CD1  C 13 132.815 0.400 . 1 . . . .  60 TYR CD1  . 7093 1 
      571 . 1 1  60  60 TYR CE1  C 13 117.426 0.400 . 1 . . . .  60 TYR CE1  . 7093 1 
      572 . 1 1  60  60 TYR N    N 15 119.732 0.400 . 1 . . . .  60 TYR N    . 7093 1 
      573 . 1 1  61  61 ILE H    H  1   8.079 0.020 . 1 . . . .  61 ILE H    . 7093 1 
      574 . 1 1  61  61 ILE HA   H  1   3.268 0.020 . 1 . . . .  61 ILE HA   . 7093 1 
      575 . 1 1  61  61 ILE HB   H  1   1.624 0.020 . 1 . . . .  61 ILE HB   . 7093 1 
      576 . 1 1  61  61 ILE HG12 H  1   1.833 0.020 . 2 . . . .  61 ILE HG12 . 7093 1 
      577 . 1 1  61  61 ILE HG13 H  1   1.210 0.020 . 2 . . . .  61 ILE HG13 . 7093 1 
      578 . 1 1  61  61 ILE HG21 H  1   0.875 0.020 . 1 . . . .  61 ILE HG2  . 7093 1 
      579 . 1 1  61  61 ILE HG22 H  1   0.875 0.020 . 1 . . . .  61 ILE HG2  . 7093 1 
      580 . 1 1  61  61 ILE HG23 H  1   0.875 0.020 . 1 . . . .  61 ILE HG2  . 7093 1 
      581 . 1 1  61  61 ILE HD11 H  1   0.507 0.020 . 1 . . . .  61 ILE HD1  . 7093 1 
      582 . 1 1  61  61 ILE HD12 H  1   0.507 0.020 . 1 . . . .  61 ILE HD1  . 7093 1 
      583 . 1 1  61  61 ILE HD13 H  1   0.507 0.020 . 1 . . . .  61 ILE HD1  . 7093 1 
      584 . 1 1  61  61 ILE CA   C 13  65.575 0.400 . 1 . . . .  61 ILE CA   . 7093 1 
      585 . 1 1  61  61 ILE CB   C 13  37.428 0.400 . 1 . . . .  61 ILE CB   . 7093 1 
      586 . 1 1  61  61 ILE CG1  C 13  27.351 0.400 . 1 . . . .  61 ILE CG1  . 7093 1 
      587 . 1 1  61  61 ILE CG2  C 13  14.493 0.400 . 1 . . . .  61 ILE CG2  . 7093 1 
      588 . 1 1  61  61 ILE CD1  C 13  15.536 0.400 . 1 . . . .  61 ILE CD1  . 7093 1 
      589 . 1 1  61  61 ILE N    N 15 122.464 0.400 . 1 . . . .  61 ILE N    . 7093 1 
      590 . 1 1  62  62 TYR H    H  1   8.734 0.020 . 1 . . . .  62 TYR H    . 7093 1 
      591 . 1 1  62  62 TYR HA   H  1   4.048 0.020 . 1 . . . .  62 TYR HA   . 7093 1 
      592 . 1 1  62  62 TYR HB2  H  1   2.906 0.020 . 1 . . . .  62 TYR HB2  . 7093 1 
      593 . 1 1  62  62 TYR HB3  H  1   2.906 0.020 . 1 . . . .  62 TYR HB3  . 7093 1 
      594 . 1 1  62  62 TYR HD1  H  1   7.004 0.020 . 1 . . . .  62 TYR HD1  . 7093 1 
      595 . 1 1  62  62 TYR HE1  H  1   6.674 0.020 . 1 . . . .  62 TYR HE1  . 7093 1 
      596 . 1 1  62  62 TYR CA   C 13  61.405 0.400 . 1 . . . .  62 TYR CA   . 7093 1 
      597 . 1 1  62  62 TYR CB   C 13  39.165 0.400 . 1 . . . .  62 TYR CB   . 7093 1 
      598 . 1 1  62  62 TYR CD1  C 13 131.907 0.400 . 1 . . . .  62 TYR CD1  . 7093 1 
      599 . 1 1  62  62 TYR CE1  C 13 116.707 0.400 . 1 . . . .  62 TYR CE1  . 7093 1 
      600 . 1 1  62  62 TYR N    N 15 118.762 0.400 . 1 . . . .  62 TYR N    . 7093 1 
      601 . 1 1  63  63 ASP H    H  1   8.378 0.020 . 1 . . . .  63 ASP H    . 7093 1 
      602 . 1 1  63  63 ASP HA   H  1   4.327 0.020 . 1 . . . .  63 ASP HA   . 7093 1 
      603 . 1 1  63  63 ASP HB2  H  1   2.772 0.020 . 2 . . . .  63 ASP HB2  . 7093 1 
      604 . 1 1  63  63 ASP HB3  H  1   2.497 0.020 . 2 . . . .  63 ASP HB3  . 7093 1 
      605 . 1 1  63  63 ASP CA   C 13  57.235 0.400 . 1 . . . .  63 ASP CA   . 7093 1 
      606 . 1 1  63  63 ASP CB   C 13  39.860 0.400 . 1 . . . .  63 ASP CB   . 7093 1 
      607 . 1 1  63  63 ASP N    N 15 118.839 0.400 . 1 . . . .  63 ASP N    . 7093 1 
      608 . 1 1  64  64 ARG H    H  1   7.939 0.020 . 1 . . . .  64 ARG H    . 7093 1 
      609 . 1 1  64  64 ARG HA   H  1   3.925 0.020 . 1 . . . .  64 ARG HA   . 7093 1 
      610 . 1 1  64  64 ARG HB2  H  1   1.576 0.020 . 2 . . . .  64 ARG HB2  . 7093 1 
      611 . 1 1  64  64 ARG HB3  H  1   1.484 0.020 . 2 . . . .  64 ARG HB3  . 7093 1 
      612 . 1 1  64  64 ARG HE   H  1   7.392 0.020 . 1 . . . .  64 ARG HE   . 7093 1 
      613 . 1 1  64  64 ARG CA   C 13  58.625 0.400 . 1 . . . .  64 ARG CA   . 7093 1 
      614 . 1 1  64  64 ARG CB   C 13  29.088 0.400 . 1 . . . .  64 ARG CB   . 7093 1 
      615 . 1 1  64  64 ARG N    N 15 123.158 0.400 . 1 . . . .  64 ARG N    . 7093 1 
      616 . 1 1  64  64 ARG NE   N 15  85.551 0.400 . 1 . . . .  64 ARG NE   . 7093 1 
      617 . 1 1  65  65 ILE H    H  1   8.969 0.020 . 1 . . . .  65 ILE H    . 7093 1 
      618 . 1 1  65  65 ILE HA   H  1   3.630 0.020 . 1 . . . .  65 ILE HA   . 7093 1 
      619 . 1 1  65  65 ILE HB   H  1   2.095 0.020 . 1 . . . .  65 ILE HB   . 7093 1 
      620 . 1 1  65  65 ILE HG12 H  1   1.367 0.020 . 2 . . . .  65 ILE HG12 . 7093 1 
      621 . 1 1  65  65 ILE HG13 H  1   0.514 0.020 . 2 . . . .  65 ILE HG13 . 7093 1 
      622 . 1 1  65  65 ILE HG21 H  1   0.637 0.020 . 1 . . . .  65 ILE HG2  . 7093 1 
      623 . 1 1  65  65 ILE HG22 H  1   0.637 0.020 . 1 . . . .  65 ILE HG2  . 7093 1 
      624 . 1 1  65  65 ILE HG23 H  1   0.637 0.020 . 1 . . . .  65 ILE HG2  . 7093 1 
      625 . 1 1  65  65 ILE HD11 H  1  -0.068 0.020 . 1 . . . .  65 ILE HD1  . 7093 1 
      626 . 1 1  65  65 ILE HD12 H  1  -0.068 0.020 . 1 . . . .  65 ILE HD1  . 7093 1 
      627 . 1 1  65  65 ILE HD13 H  1  -0.068 0.020 . 1 . . . .  65 ILE HD1  . 7093 1 
      628 . 1 1  65  65 ILE CA   C 13  61.752 0.400 . 1 . . . .  65 ILE CA   . 7093 1 
      629 . 1 1  65  65 ILE CB   C 13  35.343 0.400 . 1 . . . .  65 ILE CB   . 7093 1 
      630 . 1 1  65  65 ILE CG1  C 13  26.656 0.400 . 1 . . . .  65 ILE CG1  . 7093 1 
      631 . 1 1  65  65 ILE CG2  C 13  17.968 0.400 . 1 . . . .  65 ILE CG2  . 7093 1 
      632 . 1 1  65  65 ILE CD1  C 13   8.934 0.400 . 1 . . . .  65 ILE CD1  . 7093 1 
      633 . 1 1  65  65 ILE N    N 15 121.816 0.400 . 1 . . . .  65 ILE N    . 7093 1 
      634 . 1 1  66  66 ARG H    H  1   8.287 0.020 . 1 . . . .  66 ARG H    . 7093 1 
      635 . 1 1  66  66 ARG HA   H  1   3.823 0.020 . 1 . . . .  66 ARG HA   . 7093 1 
      636 . 1 1  66  66 ARG HB2  H  1   2.063 0.020 . 2 . . . .  66 ARG HB2  . 7093 1 
      637 . 1 1  66  66 ARG HB3  H  1   1.989 0.020 . 2 . . . .  66 ARG HB3  . 7093 1 
      638 . 1 1  66  66 ARG HG2  H  1   1.988 0.020 . 2 . . . .  66 ARG HG2  . 7093 1 
      639 . 1 1  66  66 ARG HG3  H  1   1.450 0.020 . 2 . . . .  66 ARG HG3  . 7093 1 
      640 . 1 1  66  66 ARG HD2  H  1   3.274 0.020 . 2 . . . .  66 ARG HD2  . 7093 1 
      641 . 1 1  66  66 ARG HD3  H  1   3.167 0.020 . 2 . . . .  66 ARG HD3  . 7093 1 
      642 . 1 1  66  66 ARG CA   C 13  61.405 0.400 . 1 . . . .  66 ARG CA   . 7093 1 
      643 . 1 1  66  66 ARG CB   C 13  29.436 0.400 . 1 . . . .  66 ARG CB   . 7093 1 
      644 . 1 1  66  66 ARG CG   C 13  29.088 0.400 . 1 . . . .  66 ARG CG   . 7093 1 
      645 . 1 1  66  66 ARG CD   C 13  42.969 0.400 . 1 . . . .  66 ARG CD   . 7093 1 
      646 . 1 1  66  66 ARG N    N 15 121.926 0.400 . 1 . . . .  66 ARG N    . 7093 1 
      647 . 1 1  67  67 LYS H    H  1   7.338 0.020 . 1 . . . .  67 LYS H    . 7093 1 
      648 . 1 1  67  67 LYS HA   H  1   4.005 0.020 . 1 . . . .  67 LYS HA   . 7093 1 
      649 . 1 1  67  67 LYS HB2  H  1   1.922 0.020 . 1 . . . .  67 LYS HB2  . 7093 1 
      650 . 1 1  67  67 LYS HB3  H  1   1.922 0.020 . 1 . . . .  67 LYS HB3  . 7093 1 
      651 . 1 1  67  67 LYS CA   C 13  59.667 0.400 . 1 . . . .  67 LYS CA   . 7093 1 
      652 . 1 1  67  67 LYS CB   C 13  32.563 0.400 . 1 . . . .  67 LYS CB   . 7093 1 
      653 . 1 1  67  67 LYS N    N 15 119.688 0.400 . 1 . . . .  67 LYS N    . 7093 1 
      654 . 1 1  68  68 LEU H    H  1   8.602 0.020 . 1 . . . .  68 LEU H    . 7093 1 
      655 . 1 1  68  68 LEU HA   H  1   4.079 0.020 . 1 . . . .  68 LEU HA   . 7093 1 
      656 . 1 1  68  68 LEU HB2  H  1   1.367 0.020 . 2 . . . .  68 LEU HB2  . 7093 1 
      657 . 1 1  68  68 LEU HB3  H  1   1.920 0.020 . 2 . . . .  68 LEU HB3  . 7093 1 
      658 . 1 1  68  68 LEU HG   H  1   1.768 0.020 . 1 . . . .  68 LEU HG   . 7093 1 
      659 . 1 1  68  68 LEU HD11 H  1   0.781 0.020 . 2 . . . .  68 LEU HD1  . 7093 1 
      660 . 1 1  68  68 LEU HD12 H  1   0.781 0.020 . 2 . . . .  68 LEU HD1  . 7093 1 
      661 . 1 1  68  68 LEU HD13 H  1   0.781 0.020 . 2 . . . .  68 LEU HD1  . 7093 1 
      662 . 1 1  68  68 LEU CA   C 13  57.235 0.400 . 1 . . . .  68 LEU CA   . 7093 1 
      663 . 1 1  68  68 LEU CB   C 13  42.640 0.400 . 1 . . . .  68 LEU CB   . 7093 1 
      664 . 1 1  68  68 LEU CG   C 13  26.656 0.400 . 1 . . . .  68 LEU CG   . 7093 1 
      665 . 1 1  68  68 LEU CD1  C 13  24.571 0.400 . 1 . . . .  68 LEU CD1  . 7093 1 
      666 . 1 1  68  68 LEU N    N 15 122.290 0.400 . 1 . . . .  68 LEU N    . 7093 1 
      667 . 1 1  69  69 CYS H    H  1   8.897 0.020 . 1 . . . .  69 CYS H    . 7093 1 
      668 . 1 1  69  69 CYS HA   H  1   4.076 0.020 . 1 . . . .  69 CYS HA   . 7093 1 
      669 . 1 1  69  69 CYS CA   C 13  65.575 0.400 . 1 . . . .  69 CYS CA   . 7093 1 
      670 . 1 1  69  69 CYS N    N 15 119.253 0.400 . 1 . . . .  69 CYS N    . 7093 1 
      671 . 1 1  70  70 LYS H    H  1   7.355 0.020 . 1 . . . .  70 LYS H    . 7093 1 
      672 . 1 1  70  70 LYS HA   H  1   4.238 0.020 . 1 . . . .  70 LYS HA   . 7093 1 
      673 . 1 1  70  70 LYS HB2  H  1   1.980 0.020 . 1 . . . .  70 LYS HB2  . 7093 1 
      674 . 1 1  70  70 LYS HB3  H  1   1.980 0.020 . 1 . . . .  70 LYS HB3  . 7093 1 
      675 . 1 1  70  70 LYS HG2  H  1   1.613 0.020 . 2 . . . .  70 LYS HG2  . 7093 1 
      676 . 1 1  70  70 LYS HG3  H  1   1.491 0.020 . 2 . . . .  70 LYS HG3  . 7093 1 
      677 . 1 1  70  70 LYS HD2  H  1   1.722 0.020 . 2 . . . .  70 LYS HD2  . 7093 1 
      678 . 1 1  70  70 LYS HD3  H  1   1.681 0.020 . 2 . . . .  70 LYS HD3  . 7093 1 
      679 . 1 1  70  70 LYS HE2  H  1   3.025 0.020 . 1 . . . .  70 LYS HE2  . 7093 1 
      680 . 1 1  70  70 LYS HE3  H  1   3.025 0.020 . 1 . . . .  70 LYS HE3  . 7093 1 
      681 . 1 1  70  70 LYS CA   C 13  58.625 0.400 . 1 . . . .  70 LYS CA   . 7093 1 
      682 . 1 1  70  70 LYS CB   C 13  31.173 0.400 . 1 . . . .  70 LYS CB   . 7093 1 
      683 . 1 1  70  70 LYS CG   C 13  24.571 0.400 . 1 . . . .  70 LYS CG   . 7093 1 
      684 . 1 1  70  70 LYS CD   C 13  28.741 0.400 . 1 . . . .  70 LYS CD   . 7093 1 
      685 . 1 1  70  70 LYS CE   C 13  41.598 0.400 . 1 . . . .  70 LYS CE   . 7093 1 
      686 . 1 1  70  70 LYS N    N 15 119.243 0.400 . 1 . . . .  70 LYS N    . 7093 1 
      687 . 1 1  71  71 GLU H    H  1   7.684 0.020 . 1 . . . .  71 GLU H    . 7093 1 
      688 . 1 1  71  71 GLU HA   H  1   3.920 0.020 . 1 . . . .  71 GLU HA   . 7093 1 
      689 . 1 1  71  71 GLU HB2  H  1   1.910 0.020 . 2 . . . .  71 GLU HB2  . 7093 1 
      690 . 1 1  71  71 GLU HB3  H  1   1.734 0.020 . 2 . . . .  71 GLU HB3  . 7093 1 
      691 . 1 1  71  71 GLU HG2  H  1   2.144 0.020 . 2 . . . .  71 GLU HG2  . 7093 1 
      692 . 1 1  71  71 GLU HG3  H  1   1.882 0.020 . 2 . . . .  71 GLU HG3  . 7093 1 
      693 . 1 1  71  71 GLU CA   C 13  58.277 0.400 . 1 . . . .  71 GLU CA   . 7093 1 
      694 . 1 1  71  71 GLU CB   C 13  29.088 0.400 . 1 . . . .  71 GLU CB   . 7093 1 
      695 . 1 1  71  71 GLU CG   C 13  34.996 0.400 . 1 . . . .  71 GLU CG   . 7093 1 
      696 . 1 1  71  71 GLU N    N 15 120.396 0.400 . 1 . . . .  71 GLU N    . 7093 1 
      697 . 1 1  72  72 HIS H    H  1   7.984 0.020 . 1 . . . .  72 HIS H    . 7093 1 
      698 . 1 1  72  72 HIS HB2  H  1   3.395 0.020 . 2 . . . .  72 HIS HB2  . 7093 1 
      699 . 1 1  72  72 HIS HB3  H  1   2.734 0.020 . 2 . . . .  72 HIS HB3  . 7093 1 
      700 . 1 1  72  72 HIS HD2  H  1   6.886 0.020 . 1 . . . .  72 HIS HD2  . 7093 1 
      701 . 1 1  72  72 HIS HE1  H  1   7.802 0.020 . 1 . . . .  72 HIS HE1  . 7093 1 
      702 . 1 1  72  72 HIS CB   C 13  30.131 0.400 . 1 . . . .  72 HIS CB   . 7093 1 
      703 . 1 1  72  72 HIS CD2  C 13 119.220 0.400 . 1 . . . .  72 HIS CD2  . 7093 1 
      704 . 1 1  72  72 HIS CE1  C 13 137.504 0.400 . 1 . . . .  72 HIS CE1  . 7093 1 
      705 . 1 1  72  72 HIS N    N 15 114.903 0.400 . 1 . . . .  72 HIS N    . 7093 1 
      706 . 1 1  73  73 ASN H    H  1   7.795 0.020 . 1 . . . .  73 ASN H    . 7093 1 
      707 . 1 1  73  73 ASN HA   H  1   4.433 0.020 . 1 . . . .  73 ASN HA   . 7093 1 
      708 . 1 1  73  73 ASN HB2  H  1   3.203 0.020 . 2 . . . .  73 ASN HB2  . 7093 1 
      709 . 1 1  73  73 ASN HB3  H  1   2.797 0.020 . 2 . . . .  73 ASN HB3  . 7093 1 
      710 . 1 1  73  73 ASN HD21 H  1   7.596 0.020 . 2 . . . .  73 ASN HD21 . 7093 1 
      711 . 1 1  73  73 ASN HD22 H  1   6.833 0.020 . 2 . . . .  73 ASN HD22 . 7093 1 
      712 . 1 1  73  73 ASN CA   C 13  54.108 0.400 . 1 . . . .  73 ASN CA   . 7093 1 
      713 . 1 1  73  73 ASN CB   C 13  36.386 0.400 . 1 . . . .  73 ASN CB   . 7093 1 
      714 . 1 1  73  73 ASN N    N 15 118.082 0.400 . 1 . . . .  73 ASN N    . 7093 1 
      715 . 1 1  73  73 ASN ND2  N 15 113.484 0.400 . 1 . . . .  73 ASN ND2  . 7093 1 
      716 . 1 1  74  74 VAL H    H  1   8.677 0.020 . 1 . . . .  74 VAL H    . 7093 1 
      717 . 1 1  74  74 VAL HA   H  1   4.247 0.020 . 1 . . . .  74 VAL HA   . 7093 1 
      718 . 1 1  74  74 VAL HB   H  1   1.891 0.020 . 1 . . . .  74 VAL HB   . 7093 1 
      719 . 1 1  74  74 VAL HG21 H  1   1.032 0.020 . 2 . . . .  74 VAL HG2  . 7093 1 
      720 . 1 1  74  74 VAL HG22 H  1   1.032 0.020 . 2 . . . .  74 VAL HG2  . 7093 1 
      721 . 1 1  74  74 VAL HG23 H  1   1.032 0.020 . 2 . . . .  74 VAL HG2  . 7093 1 
      722 . 1 1  74  74 VAL CA   C 13  60.326 0.400 . 1 . . . .  74 VAL CA   . 7093 1 
      723 . 1 1  74  74 VAL CB   C 13  34.625 0.400 . 1 . . . .  74 VAL CB   . 7093 1 
      724 . 1 1  74  74 VAL CG2  C 13  21.080 0.400 . 1 . . . .  74 VAL CG2  . 7093 1 
      725 . 1 1  74  74 VAL N    N 15 120.888 0.400 . 1 . . . .  74 VAL N    . 7093 1 
      726 . 1 1  75  75 ASP H    H  1   8.577 0.020 . 1 . . . .  75 ASP H    . 7093 1 
      727 . 1 1  75  75 ASP HA   H  1   4.352 0.020 . 1 . . . .  75 ASP HA   . 7093 1 
      728 . 1 1  75  75 ASP HB2  H  1   2.735 0.020 . 1 . . . .  75 ASP HB2  . 7093 1 
      729 . 1 1  75  75 ASP HB3  H  1   2.735 0.020 . 1 . . . .  75 ASP HB3  . 7093 1 
      730 . 1 1  75  75 ASP CA   C 13  54.803 0.400 . 1 . . . .  75 ASP CA   . 7093 1 
      731 . 1 1  75  75 ASP CB   C 13  41.598 0.400 . 1 . . . .  75 ASP CB   . 7093 1 
      732 . 1 1  75  75 ASP N    N 15 128.341 0.400 . 1 . . . .  75 ASP N    . 7093 1 
      733 . 1 1  76  76 GLU HA   H  1   4.342 0.020 . 1 . . . .  76 GLU HA   . 7093 1 
      734 . 1 1  76  76 GLU HB2  H  1   2.134 0.020 . 2 . . . .  76 GLU HB2  . 7093 1 
      735 . 1 1  76  76 GLU HB3  H  1   2.050 0.020 . 2 . . . .  76 GLU HB3  . 7093 1 
      736 . 1 1  76  76 GLU HG2  H  1   2.313 0.020 . 2 . . . .  76 GLU HG2  . 7093 1 
      737 . 1 1  76  76 GLU CA   C 13  58.972 0.400 . 1 . . . .  76 GLU CA   . 7093 1 
      738 . 1 1  76  76 GLU CB   C 13  30.131 0.400 . 1 . . . .  76 GLU CB   . 7093 1 
      739 . 1 1  76  76 GLU CG   C 13  36.386 0.400 . 1 . . . .  76 GLU CG   . 7093 1 
      740 . 1 1  77  77 ASN H    H  1   8.442 0.020 . 1 . . . .  77 ASN H    . 7093 1 
      741 . 1 1  77  77 ASN HA   H  1   4.426 0.020 . 1 . . . .  77 ASN HA   . 7093 1 
      742 . 1 1  77  77 ASN HB2  H  1   2.921 0.020 . 2 . . . .  77 ASN HB2  . 7093 1 
      743 . 1 1  77  77 ASN HB3  H  1   2.695 0.020 . 2 . . . .  77 ASN HB3  . 7093 1 
      744 . 1 1  77  77 ASN HD21 H  1   7.999 0.020 . 2 . . . .  77 ASN HD21 . 7093 1 
      745 . 1 1  77  77 ASN HD22 H  1   7.080 0.020 . 2 . . . .  77 ASN HD22 . 7093 1 
      746 . 1 1  77  77 ASN CA   C 13  55.845 0.400 . 1 . . . .  77 ASN CA   . 7093 1 
      747 . 1 1  77  77 ASN CB   C 13  37.776 0.400 . 1 . . . .  77 ASN CB   . 7093 1 
      748 . 1 1  77  77 ASN N    N 15 116.822 0.400 . 1 . . . .  77 ASN N    . 7093 1 
      749 . 1 1  77  77 ASN ND2  N 15 116.392 0.400 . 1 . . . .  77 ASN ND2  . 7093 1 
      750 . 1 1  78  78 ILE H    H  1   7.745 0.020 . 1 . . . .  78 ILE H    . 7093 1 
      751 . 1 1  78  78 ILE HA   H  1   3.856 0.020 . 1 . . . .  78 ILE HA   . 7093 1 
      752 . 1 1  78  78 ILE HB   H  1   2.096 0.020 . 1 . . . .  78 ILE HB   . 7093 1 
      753 . 1 1  78  78 ILE HG12 H  1   1.635 0.020 . 2 . . . .  78 ILE HG12 . 7093 1 
      754 . 1 1  78  78 ILE HG13 H  1   1.289 0.020 . 2 . . . .  78 ILE HG13 . 7093 1 
      755 . 1 1  78  78 ILE HG21 H  1   0.947 0.020 . 1 . . . .  78 ILE HG2  . 7093 1 
      756 . 1 1  78  78 ILE HG22 H  1   0.947 0.020 . 1 . . . .  78 ILE HG2  . 7093 1 
      757 . 1 1  78  78 ILE HG23 H  1   0.947 0.020 . 1 . . . .  78 ILE HG2  . 7093 1 
      758 . 1 1  78  78 ILE HD11 H  1   0.862 0.020 . 1 . . . .  78 ILE HD1  . 7093 1 
      759 . 1 1  78  78 ILE HD12 H  1   0.862 0.020 . 1 . . . .  78 ILE HD1  . 7093 1 
      760 . 1 1  78  78 ILE HD13 H  1   0.862 0.020 . 1 . . . .  78 ILE HD1  . 7093 1 
      761 . 1 1  78  78 ILE CA   C 13  63.452 0.400 . 1 . . . .  78 ILE CA   . 7093 1 
      762 . 1 1  78  78 ILE CB   C 13  37.056 0.400 . 1 . . . .  78 ILE CB   . 7093 1 
      763 . 1 1  78  78 ILE CG1  C 13  28.026 0.400 . 1 . . . .  78 ILE CG1  . 7093 1 
      764 . 1 1  78  78 ILE CG2  C 13  16.542 0.400 . 1 . . . .  78 ILE CG2  . 7093 1 
      765 . 1 1  78  78 ILE CD1  C 13  11.713 0.400 . 1 . . . .  78 ILE CD1  . 7093 1 
      766 . 1 1  78  78 ILE N    N 15 121.274 0.400 . 1 . . . .  78 ILE N    . 7093 1 
      767 . 1 1  79  79 GLY HA2  H  1   3.755 0.020 . 2 . . . .  79 GLY HA2  . 7093 1 
      768 . 1 1  79  79 GLY HA3  H  1   3.708 0.020 . 2 . . . .  79 GLY HA3  . 7093 1 
      769 . 1 1  79  79 GLY CA   C 13  47.128 0.400 . 1 . . . .  79 GLY CA   . 7093 1 
      770 . 1 1  80  80 ILE H    H  1   8.494 0.020 . 1 . . . .  80 ILE H    . 7093 1 
      771 . 1 1  80  80 ILE HA   H  1   3.987 0.020 . 1 . . . .  80 ILE HA   . 7093 1 
      772 . 1 1  80  80 ILE HB   H  1   2.127 0.020 . 1 . . . .  80 ILE HB   . 7093 1 
      773 . 1 1  80  80 ILE HG12 H  1   1.570 0.020 . 2 . . . .  80 ILE HG12 . 7093 1 
      774 . 1 1  80  80 ILE HG21 H  1   0.762 0.020 . 1 . . . .  80 ILE HG2  . 7093 1 
      775 . 1 1  80  80 ILE HG22 H  1   0.762 0.020 . 1 . . . .  80 ILE HG2  . 7093 1 
      776 . 1 1  80  80 ILE HG23 H  1   0.762 0.020 . 1 . . . .  80 ILE HG2  . 7093 1 
      777 . 1 1  80  80 ILE HD11 H  1   0.857 0.020 . 1 . . . .  80 ILE HD1  . 7093 1 
      778 . 1 1  80  80 ILE HD12 H  1   0.857 0.020 . 1 . . . .  80 ILE HD1  . 7093 1 
      779 . 1 1  80  80 ILE HD13 H  1   0.857 0.020 . 1 . . . .  80 ILE HD1  . 7093 1 
      780 . 1 1  80  80 ILE CA   C 13  63.142 0.400 . 1 . . . .  80 ILE CA   . 7093 1 
      781 . 1 1  80  80 ILE CB   C 13  35.691 0.400 . 1 . . . .  80 ILE CB   . 7093 1 
      782 . 1 1  80  80 ILE CG1  C 13  27.351 0.400 . 1 . . . .  80 ILE CG1  . 7093 1 
      783 . 1 1  80  80 ILE CG2  C 13  16.578 0.400 . 1 . . . .  80 ILE CG2  . 7093 1 
      784 . 1 1  80  80 ILE CD1  C 13  11.019 0.400 . 1 . . . .  80 ILE CD1  . 7093 1 
      785 . 1 1  80  80 ILE N    N 15 120.464 0.400 . 1 . . . .  80 ILE N    . 7093 1 
      786 . 1 1  81  81 LYS H    H  1   7.439 0.020 . 1 . . . .  81 LYS H    . 7093 1 
      787 . 1 1  81  81 LYS HA   H  1   4.110 0.020 . 1 . . . .  81 LYS HA   . 7093 1 
      788 . 1 1  81  81 LYS HB2  H  1   2.626 0.020 . 2 . . . .  81 LYS HB2  . 7093 1 
      789 . 1 1  81  81 LYS HB3  H  1   2.393 0.020 . 2 . . . .  81 LYS HB3  . 7093 1 
      790 . 1 1  81  81 LYS HG2  H  1   1.615 0.020 . 2 . . . .  81 LYS HG2  . 7093 1 
      791 . 1 1  81  81 LYS CA   C 13  59.320 0.400 . 1 . . . .  81 LYS CA   . 7093 1 
      792 . 1 1  81  81 LYS CB   C 13  33.258 0.400 . 1 . . . .  81 LYS CB   . 7093 1 
      793 . 1 1  81  81 LYS N    N 15 119.751 0.400 . 1 . . . .  81 LYS N    . 7093 1 
      794 . 1 1  83  83 PHE HA   H  1   3.929 0.020 . 1 . . . .  83 PHE HA   . 7093 1 
      795 . 1 1  83  83 PHE HB2  H  1   2.920 0.020 . 1 . . . .  83 PHE HB2  . 7093 1 
      796 . 1 1  83  83 PHE HB3  H  1   2.920 0.020 . 1 . . . .  83 PHE HB3  . 7093 1 
      797 . 1 1  83  83 PHE HD1  H  1   7.361 0.020 . 1 . . . .  83 PHE HD1  . 7093 1 
      798 . 1 1  83  83 PHE HE1  H  1   7.262 0.020 . 1 . . . .  83 PHE HE1  . 7093 1 
      799 . 1 1  83  83 PHE HZ   H  1   7.296 0.020 . 1 . . . .  83 PHE HZ   . 7093 1 
      800 . 1 1  83  83 PHE CA   C 13  64.185 0.400 . 1 . . . .  83 PHE CA   . 7093 1 
      801 . 1 1  83  83 PHE CB   C 13  38.123 0.400 . 1 . . . .  83 PHE CB   . 7093 1 
      802 . 1 1  83  83 PHE CD1  C 13 130.567 0.400 . 1 . . . .  83 PHE CD1  . 7093 1 
      803 . 1 1  83  83 PHE CE1  C 13 130.519 0.400 . 1 . . . .  83 PHE CE1  . 7093 1 
      804 . 1 1  83  83 PHE CZ   C 13 128.830 0.400 . 1 . . . .  83 PHE CZ   . 7093 1 
      805 . 1 1  84  84 GLN H    H  1   9.153 0.020 . 1 . . . .  84 GLN H    . 7093 1 
      806 . 1 1  84  84 GLN HE21 H  1   7.531 0.020 . 2 . . . .  84 GLN HE21 . 7093 1 
      807 . 1 1  84  84 GLN HE22 H  1   6.474 0.020 . 2 . . . .  84 GLN HE22 . 7093 1 
      808 . 1 1  84  84 GLN N    N 15 121.434 0.400 . 1 . . . .  84 GLN N    . 7093 1 
      809 . 1 1  84  84 GLN NE2  N 15 110.147 0.400 . 1 . . . .  84 GLN NE2  . 7093 1 
      810 . 1 1  85  85 ARG H    H  1   7.354 0.020 . 1 . . . .  85 ARG H    . 7093 1 
      811 . 1 1  85  85 ARG N    N 15 118.180 0.400 . 1 . . . .  85 ARG N    . 7093 1 
      812 . 1 1  87  87 ILE H    H  1   9.022 0.020 . 1 . . . .  87 ILE H    . 7093 1 
      813 . 1 1  87  87 ILE HB   H  1   1.924 0.020 . 1 . . . .  87 ILE HB   . 7093 1 
      814 . 1 1  87  87 ILE HG12 H  1   1.748 0.020 . 2 . . . .  87 ILE HG12 . 7093 1 
      815 . 1 1  87  87 ILE HG13 H  1   1.299 0.020 . 2 . . . .  87 ILE HG13 . 7093 1 
      816 . 1 1  87  87 ILE HG21 H  1   0.725 0.020 . 1 . . . .  87 ILE HG2  . 7093 1 
      817 . 1 1  87  87 ILE HG22 H  1   0.725 0.020 . 1 . . . .  87 ILE HG2  . 7093 1 
      818 . 1 1  87  87 ILE HG23 H  1   0.725 0.020 . 1 . . . .  87 ILE HG2  . 7093 1 
      819 . 1 1  87  87 ILE HD11 H  1   0.498 0.020 . 1 . . . .  87 ILE HD1  . 7093 1 
      820 . 1 1  87  87 ILE HD12 H  1   0.498 0.020 . 1 . . . .  87 ILE HD1  . 7093 1 
      821 . 1 1  87  87 ILE HD13 H  1   0.498 0.020 . 1 . . . .  87 ILE HD1  . 7093 1 
      822 . 1 1  87  87 ILE CB   C 13  38.470 0.400 . 1 . . . .  87 ILE CB   . 7093 1 
      823 . 1 1  87  87 ILE CG1  C 13  28.393 0.400 . 1 . . . .  87 ILE CG1  . 7093 1 
      824 . 1 1  87  87 ILE CG2  C 13  17.621 0.400 . 1 . . . .  87 ILE CG2  . 7093 1 
      825 . 1 1  87  87 ILE CD1  C 13  13.451 0.400 . 1 . . . .  87 ILE CD1  . 7093 1 
      826 . 1 1  87  87 ILE N    N 15 127.030 0.400 . 1 . . . .  87 ILE N    . 7093 1 
      827 . 1 1  88  88 GLU H    H  1   7.965 0.020 . 1 . . . .  88 GLU H    . 7093 1 
      828 . 1 1  88  88 GLU N    N 15 119.368 0.400 . 1 . . . .  88 GLU N    . 7093 1 
      829 . 1 1  89  89 HIS HA   H  1   4.525 0.020 . 1 . . . .  89 HIS HA   . 7093 1 
      830 . 1 1  89  89 HIS HD2  H  1   7.048 0.020 . 1 . . . .  89 HIS HD2  . 7093 1 
      831 . 1 1  89  89 HIS HE1  H  1   7.977 0.020 . 1 . . . .  89 HIS HE1  . 7093 1 
      832 . 1 1  89  89 HIS CD2  C 13 118.516 0.400 . 1 . . . .  89 HIS CD2  . 7093 1 
      833 . 1 1  89  89 HIS CE1  C 13 137.504 0.400 . 1 . . . .  89 HIS CE1  . 7093 1 
      834 . 1 1  90  90 ASN H    H  1   8.558 0.020 . 1 . . . .  90 ASN H    . 7093 1 
      835 . 1 1  90  90 ASN HA   H  1   3.923 0.020 . 1 . . . .  90 ASN HA   . 7093 1 
      836 . 1 1  90  90 ASN HB2  H  1   3.313 0.020 . 2 . . . .  90 ASN HB2  . 7093 1 
      837 . 1 1  90  90 ASN HB3  H  1   3.176 0.020 . 2 . . . .  90 ASN HB3  . 7093 1 
      838 . 1 1  90  90 ASN HD21 H  1   7.579 0.020 . 2 . . . .  90 ASN HD21 . 7093 1 
      839 . 1 1  90  90 ASN HD22 H  1   6.702 0.020 . 2 . . . .  90 ASN HD22 . 7093 1 
      840 . 1 1  90  90 ASN CA   C 13  58.277 0.400 . 1 . . . .  90 ASN CA   . 7093 1 
      841 . 1 1  90  90 ASN CB   C 13  39.860 0.400 . 1 . . . .  90 ASN CB   . 7093 1 
      842 . 1 1  90  90 ASN N    N 15 121.816 0.400 . 1 . . . .  90 ASN N    . 7093 1 
      843 . 1 1  90  90 ASN ND2  N 15 112.223 0.400 . 1 . . . .  90 ASN ND2  . 7093 1 
      844 . 1 1  91  91 LYS H    H  1   8.020 0.020 . 1 . . . .  91 LYS H    . 7093 1 
      845 . 1 1  91  91 LYS HA   H  1   3.839 0.020 . 1 . . . .  91 LYS HA   . 7093 1 
      846 . 1 1  91  91 LYS CA   C 13  60.710 0.400 . 1 . . . .  91 LYS CA   . 7093 1 
      847 . 1 1  91  91 LYS N    N 15 116.154 0.400 . 1 . . . .  91 LYS N    . 7093 1 
      848 . 1 1  92  92 ALA H    H  1   7.864 0.020 . 1 . . . .  92 ALA H    . 7093 1 
      849 . 1 1  92  92 ALA HA   H  1   4.099 0.020 . 1 . . . .  92 ALA HA   . 7093 1 
      850 . 1 1  92  92 ALA HB1  H  1   1.538 0.020 . 1 . . . .  92 ALA HB   . 7093 1 
      851 . 1 1  92  92 ALA HB2  H  1   1.538 0.020 . 1 . . . .  92 ALA HB   . 7093 1 
      852 . 1 1  92  92 ALA HB3  H  1   1.538 0.020 . 1 . . . .  92 ALA HB   . 7093 1 
      853 . 1 1  92  92 ALA CA   C 13  55.116 0.400 . 1 . . . .  92 ALA CA   . 7093 1 
      854 . 1 1  92  92 ALA CB   C 13  17.236 0.400 . 1 . . . .  92 ALA CB   . 7093 1 
      855 . 1 1  92  92 ALA N    N 15 125.314 0.400 . 1 . . . .  92 ALA N    . 7093 1 
      856 . 1 1  93  93 LEU H    H  1   8.302 0.020 . 1 . . . .  93 LEU H    . 7093 1 
      857 . 1 1  93  93 LEU HA   H  1   3.904 0.020 . 1 . . . .  93 LEU HA   . 7093 1 
      858 . 1 1  93  93 LEU HB2  H  1   1.976 0.020 . 2 . . . .  93 LEU HB2  . 7093 1 
      859 . 1 1  93  93 LEU HB3  H  1   1.113 0.020 . 2 . . . .  93 LEU HB3  . 7093 1 
      860 . 1 1  93  93 LEU HG   H  1   1.201 0.020 . 1 . . . .  93 LEU HG   . 7093 1 
      861 . 1 1  93  93 LEU HD11 H  1   0.709 0.020 . 2 . . . .  93 LEU HD1  . 7093 1 
      862 . 1 1  93  93 LEU HD12 H  1   0.709 0.020 . 2 . . . .  93 LEU HD1  . 7093 1 
      863 . 1 1  93  93 LEU HD13 H  1   0.709 0.020 . 2 . . . .  93 LEU HD1  . 7093 1 
      864 . 1 1  93  93 LEU CA   C 13  56.887 0.400 . 1 . . . .  93 LEU CA   . 7093 1 
      865 . 1 1  93  93 LEU CB   C 13  41.250 0.400 . 1 . . . .  93 LEU CB   . 7093 1 
      866 . 1 1  93  93 LEU CG   C 13  25.613 0.400 . 1 . . . .  93 LEU CG   . 7093 1 
      867 . 1 1  93  93 LEU CD1  C 13  25.613 0.400 . 1 . . . .  93 LEU CD1  . 7093 1 
      868 . 1 1  93  93 LEU N    N 15 120.938 0.400 . 1 . . . .  93 LEU N    . 7093 1 
      869 . 1 1  94  94 GLN H    H  1   8.453 0.020 . 1 . . . .  94 GLN H    . 7093 1 
      870 . 1 1  94  94 GLN HA   H  1   3.783 0.020 . 1 . . . .  94 GLN HA   . 7093 1 
      871 . 1 1  94  94 GLN HB2  H  1   2.168 0.020 . 1 . . . .  94 GLN HB2  . 7093 1 
      872 . 1 1  94  94 GLN HB3  H  1   2.168 0.020 . 1 . . . .  94 GLN HB3  . 7093 1 
      873 . 1 1  94  94 GLN HG2  H  1   2.669 0.020 . 2 . . . .  94 GLN HG2  . 7093 1 
      874 . 1 1  94  94 GLN HG3  H  1   2.468 0.020 . 2 . . . .  94 GLN HG3  . 7093 1 
      875 . 1 1  94  94 GLN HE21 H  1   7.680 0.020 . 2 . . . .  94 GLN HE21 . 7093 1 
      876 . 1 1  94  94 GLN HE22 H  1   6.912 0.020 . 2 . . . .  94 GLN HE22 . 7093 1 
      877 . 1 1  94  94 GLN CA   C 13  60.015 0.400 . 1 . . . .  94 GLN CA   . 7093 1 
      878 . 1 1  94  94 GLN CB   C 13  29.436 0.400 . 1 . . . .  94 GLN CB   . 7093 1 
      879 . 1 1  94  94 GLN CG   C 13  34.996 0.400 . 1 . . . .  94 GLN CG   . 7093 1 
      880 . 1 1  94  94 GLN N    N 15 121.226 0.400 . 1 . . . .  94 GLN N    . 7093 1 
      881 . 1 1  94  94 GLN NE2  N 15 113.741 0.400 . 1 . . . .  94 GLN NE2  . 7093 1 
      882 . 1 1  95  95 LYS H    H  1   8.066 0.020 . 1 . . . .  95 LYS H    . 7093 1 
      883 . 1 1  95  95 LYS HA   H  1   3.848 0.020 . 1 . . . .  95 LYS HA   . 7093 1 
      884 . 1 1  95  95 LYS HB2  H  1   1.960 0.020 . 2 . . . .  95 LYS HB2  . 7093 1 
      885 . 1 1  95  95 LYS HB3  H  1   1.859 0.020 . 2 . . . .  95 LYS HB3  . 7093 1 
      886 . 1 1  95  95 LYS HG2  H  1   1.499 0.020 . 2 . . . .  95 LYS HG2  . 7093 1 
      887 . 1 1  95  95 LYS HG3  H  1   1.376 0.020 . 2 . . . .  95 LYS HG3  . 7093 1 
      888 . 1 1  95  95 LYS HE2  H  1   2.957 0.020 . 1 . . . .  95 LYS HE2  . 7093 1 
      889 . 1 1  95  95 LYS HE3  H  1   2.957 0.020 . 1 . . . .  95 LYS HE3  . 7093 1 
      890 . 1 1  95  95 LYS CA   C 13  59.320 0.400 . 1 . . . .  95 LYS CA   . 7093 1 
      891 . 1 1  95  95 LYS CB   C 13  32.563 0.400 . 1 . . . .  95 LYS CB   . 7093 1 
      892 . 1 1  95  95 LYS CG   C 13  24.571 0.400 . 1 . . . .  95 LYS CG   . 7093 1 
      893 . 1 1  95  95 LYS CE   C 13  41.945 0.400 . 1 . . . .  95 LYS CE   . 7093 1 
      894 . 1 1  95  95 LYS N    N 15 119.987 0.400 . 1 . . . .  95 LYS N    . 7093 1 
      895 . 1 1  96  96 GLN H    H  1   7.862 0.020 . 1 . . . .  96 GLN H    . 7093 1 
      896 . 1 1  96  96 GLN HA   H  1   4.050 0.020 . 1 . . . .  96 GLN HA   . 7093 1 
      897 . 1 1  96  96 GLN HB2  H  1   2.019 0.020 . 1 . . . .  96 GLN HB2  . 7093 1 
      898 . 1 1  96  96 GLN HB3  H  1   2.019 0.020 . 1 . . . .  96 GLN HB3  . 7093 1 
      899 . 1 1  96  96 GLN HG2  H  1   2.421 0.020 . 2 . . . .  96 GLN HG2  . 7093 1 
      900 . 1 1  96  96 GLN HG3  H  1   2.266 0.020 . 2 . . . .  96 GLN HG3  . 7093 1 
      901 . 1 1  96  96 GLN HE21 H  1   7.611 0.020 . 2 . . . .  96 GLN HE21 . 7093 1 
      902 . 1 1  96  96 GLN HE22 H  1   6.800 0.020 . 2 . . . .  96 GLN HE22 . 7093 1 
      903 . 1 1  96  96 GLN CA   C 13  57.930 0.400 . 1 . . . .  96 GLN CA   . 7093 1 
      904 . 1 1  96  96 GLN CB   C 13  29.088 0.400 . 1 . . . .  96 GLN CB   . 7093 1 
      905 . 1 1  96  96 GLN CG   C 13  32.911 0.400 . 1 . . . .  96 GLN CG   . 7093 1 
      906 . 1 1  96  96 GLN N    N 15 119.463 0.400 . 1 . . . .  96 GLN N    . 7093 1 
      907 . 1 1  96  96 GLN NE2  N 15 112.457 0.400 . 1 . . . .  96 GLN NE2  . 7093 1 
      908 . 1 1  97  97 TYR H    H  1   8.111 0.020 . 1 . . . .  97 TYR H    . 7093 1 
      909 . 1 1  97  97 TYR HA   H  1   4.333 0.020 . 1 . . . .  97 TYR HA   . 7093 1 
      910 . 1 1  97  97 TYR HB2  H  1   3.064 0.020 . 1 . . . .  97 TYR HB2  . 7093 1 
      911 . 1 1  97  97 TYR HB3  H  1   3.064 0.020 . 1 . . . .  97 TYR HB3  . 7093 1 
      912 . 1 1  97  97 TYR HD1  H  1   6.991 0.020 . 1 . . . .  97 TYR HD1  . 7093 1 
      913 . 1 1  97  97 TYR HE1  H  1   6.711 0.020 . 1 . . . .  97 TYR HE1  . 7093 1 
      914 . 1 1  97  97 TYR CA   C 13  60.710 0.400 . 1 . . . .  97 TYR CA   . 7093 1 
      915 . 1 1  97  97 TYR CB   C 13  37.081 0.400 . 1 . . . .  97 TYR CB   . 7093 1 
      916 . 1 1  97  97 TYR CD1  C 13 132.112 0.400 . 1 . . . .  97 TYR CD1  . 7093 1 
      917 . 1 1  97  97 TYR CE1  C 13 117.110 0.400 . 1 . . . .  97 TYR CE1  . 7093 1 
      918 . 1 1  97  97 TYR N    N 15 120.258 0.400 . 1 . . . .  97 TYR N    . 7093 1 
      919 . 1 1  98  98 LEU H    H  1   8.221 0.020 . 1 . . . .  98 LEU H    . 7093 1 
      920 . 1 1  98  98 LEU HA   H  1   3.974 0.020 . 1 . . . .  98 LEU HA   . 7093 1 
      921 . 1 1  98  98 LEU HB2  H  1   1.925 0.020 . 2 . . . .  98 LEU HB2  . 7093 1 
      922 . 1 1  98  98 LEU HB3  H  1   1.578 0.020 . 2 . . . .  98 LEU HB3  . 7093 1 
      923 . 1 1  98  98 LEU HD11 H  1   0.945 0.020 . 2 . . . .  98 LEU HD1  . 7093 1 
      924 . 1 1  98  98 LEU HD12 H  1   0.945 0.020 . 2 . . . .  98 LEU HD1  . 7093 1 
      925 . 1 1  98  98 LEU HD13 H  1   0.945 0.020 . 2 . . . .  98 LEU HD1  . 7093 1 
      926 . 1 1  98  98 LEU HD21 H  1   0.874 0.020 . 2 . . . .  98 LEU HD2  . 7093 1 
      927 . 1 1  98  98 LEU HD22 H  1   0.874 0.020 . 2 . . . .  98 LEU HD2  . 7093 1 
      928 . 1 1  98  98 LEU HD23 H  1   0.874 0.020 . 2 . . . .  98 LEU HD2  . 7093 1 
      929 . 1 1  98  98 LEU CA   C 13  56.887 0.400 . 1 . . . .  98 LEU CA   . 7093 1 
      930 . 1 1  98  98 LEU CB   C 13  40.876 0.400 . 1 . . . .  98 LEU CB   . 7093 1 
      931 . 1 1  98  98 LEU CD1  C 13  24.571 0.400 . 1 . . . .  98 LEU CD1  . 7093 1 
      932 . 1 1  98  98 LEU CD2  C 13  24.571 0.400 . 1 . . . .  98 LEU CD2  . 7093 1 
      933 . 1 1  98  98 LEU N    N 15 120.844 0.400 . 1 . . . .  98 LEU N    . 7093 1 
      934 . 1 1  99  99 GLU H    H  1   8.150 0.020 . 1 . . . .  99 GLU H    . 7093 1 
      935 . 1 1  99  99 GLU HA   H  1   4.035 0.020 . 1 . . . .  99 GLU HA   . 7093 1 
      936 . 1 1  99  99 GLU HB2  H  1   2.621 0.020 . 2 . . . .  99 GLU HB2  . 7093 1 
      937 . 1 1  99  99 GLU HB3  H  1   2.438 0.020 . 2 . . . .  99 GLU HB3  . 7093 1 
      938 . 1 1  99  99 GLU CB   C 13  33.258 0.400 . 1 . . . .  99 GLU CB   . 7093 1 
      939 . 1 1  99  99 GLU N    N 15 119.717 0.400 . 1 . . . .  99 GLU N    . 7093 1 
      940 . 1 1 100 100 GLU H    H  1   8.054 0.020 . 1 . . . . 100 GLU H    . 7093 1 
      941 . 1 1 100 100 GLU HA   H  1   4.166 0.020 . 1 . . . . 100 GLU HA   . 7093 1 
      942 . 1 1 100 100 GLU HB2  H  1   2.109 0.020 . 2 . . . . 100 GLU HB2  . 7093 1 
      943 . 1 1 100 100 GLU HB3  H  1   2.048 0.020 . 2 . . . . 100 GLU HB3  . 7093 1 
      944 . 1 1 100 100 GLU HG2  H  1   2.444 0.020 . 2 . . . . 100 GLU HG2  . 7093 1 
      945 . 1 1 100 100 GLU HG3  H  1   2.242 0.020 . 2 . . . . 100 GLU HG3  . 7093 1 
      946 . 1 1 100 100 GLU CA   C 13  57.235 0.400 . 1 . . . . 100 GLU CA   . 7093 1 
      947 . 1 1 100 100 GLU CB   C 13  29.783 0.400 . 1 . . . . 100 GLU CB   . 7093 1 
      948 . 1 1 100 100 GLU CG   C 13  36.386 0.400 . 1 . . . . 100 GLU CG   . 7093 1 
      949 . 1 1 100 100 GLU N    N 15 119.154 0.400 . 1 . . . . 100 GLU N    . 7093 1 
      950 . 1 1 101 101 THR H    H  1   7.785 0.020 . 1 . . . . 101 THR H    . 7093 1 
      951 . 1 1 101 101 THR HA   H  1   4.120 0.020 . 1 . . . . 101 THR HA   . 7093 1 
      952 . 1 1 101 101 THR HB   H  1   4.025 0.020 . 1 . . . . 101 THR HB   . 7093 1 
      953 . 1 1 101 101 THR HG21 H  1   1.071 0.020 . 1 . . . . 101 THR HG2  . 7093 1 
      954 . 1 1 101 101 THR HG22 H  1   1.071 0.020 . 1 . . . . 101 THR HG2  . 7093 1 
      955 . 1 1 101 101 THR HG23 H  1   1.071 0.020 . 1 . . . . 101 THR HG2  . 7093 1 
      956 . 1 1 101 101 THR CA   C 13  63.490 0.400 . 1 . . . . 101 THR CA   . 7093 1 
      957 . 1 1 101 101 THR CB   C 13  69.05  0.400 . 1 . . . . 101 THR CB   . 7093 1 
      958 . 1 1 101 101 THR CG2  C 13  21.096 0.400 . 1 . . . . 101 THR CG2  . 7093 1 
      959 . 1 1 101 101 THR N    N 15 113.840 0.400 . 1 . . . . 101 THR N    . 7093 1 
      960 . 1 1 102 102 LEU H    H  1   7.804 0.020 . 1 . . . . 102 LEU H    . 7093 1 
      961 . 1 1 102 102 LEU HA   H  1   4.180 0.020 . 1 . . . . 102 LEU HA   . 7093 1 
      962 . 1 1 102 102 LEU HB2  H  1   1.713 0.020 . 2 . . . . 102 LEU HB2  . 7093 1 
      963 . 1 1 102 102 LEU HB3  H  1   1.490 0.020 . 2 . . . . 102 LEU HB3  . 7093 1 
      964 . 1 1 102 102 LEU HG   H  1   1.615 0.020 . 1 . . . . 102 LEU HG   . 7093 1 
      965 . 1 1 102 102 LEU HD11 H  1   0.830 0.020 . 2 . . . . 102 LEU HD1  . 7093 1 
      966 . 1 1 102 102 LEU HD12 H  1   0.830 0.020 . 2 . . . . 102 LEU HD1  . 7093 1 
      967 . 1 1 102 102 LEU HD13 H  1   0.830 0.020 . 2 . . . . 102 LEU HD1  . 7093 1 
      968 . 1 1 102 102 LEU CA   C 13  55.845 0.400 . 1 . . . . 102 LEU CA   . 7093 1 
      969 . 1 1 102 102 LEU CB   C 13  41.598 0.400 . 1 . . . . 102 LEU CB   . 7093 1 
      970 . 1 1 102 102 LEU CG   C 13  26.308 0.400 . 1 . . . . 102 LEU CG   . 7093 1 
      971 . 1 1 102 102 LEU CD1  C 13  22.833 0.400 . 1 . . . . 102 LEU CD1  . 7093 1 
      972 . 1 1 102 102 LEU N    N 15 123.273 0.400 . 1 . . . . 102 LEU N    . 7093 1 
      973 . 1 1 103 103 GLU H    H  1   8.005 0.020 . 1 . . . . 103 GLU H    . 7093 1 
      974 . 1 1 103 103 GLU HA   H  1   4.102 0.020 . 1 . . . . 103 GLU HA   . 7093 1 
      975 . 1 1 103 103 GLU HG3  H  1   1.911 0.020 . 2 . . . . 103 GLU HG3  . 7093 1 
      976 . 1 1 103 103 GLU CA   C 13  56.540 0.400 . 1 . . . . 103 GLU CA   . 7093 1 
      977 . 1 1 103 103 GLU CG   C 13  29.088 0.400 . 1 . . . . 103 GLU CG   . 7093 1 
      978 . 1 1 103 103 GLU N    N 15 120.055 0.400 . 1 . . . . 103 GLU N    . 7093 1 
      979 . 1 1 104 104 HIS H    H  1   8.166 0.020 . 1 . . . . 104 HIS H    . 7093 1 
      980 . 1 1 104 104 HIS HA   H  1   4.408 0.020 . 1 . . . . 104 HIS HA   . 7093 1 
      981 . 1 1 104 104 HIS HB2  H  1   3.185 0.020 . 2 . . . . 104 HIS HB2  . 7093 1 
      982 . 1 1 104 104 HIS HB3  H  1   3.064 0.020 . 2 . . . . 104 HIS HB3  . 7093 1 
      983 . 1 1 104 104 HIS HD2  H  1   7.019 0.020 . 1 . . . . 104 HIS HD2  . 7093 1 
      984 . 1 1 104 104 HIS HE1  H  1   8.065 0.020 . 1 . . . . 104 HIS HE1  . 7093 1 
      985 . 1 1 104 104 HIS CA   C 13  56.887 0.400 . 1 . . . . 104 HIS CA   . 7093 1 
      986 . 1 1 104 104 HIS CB   C 13  30.131 0.400 . 1 . . . . 104 HIS CB   . 7093 1 
      987 . 1 1 104 104 HIS CD2  C 13 118.751 0.400 . 1 . . . . 104 HIS CD2  . 7093 1 
      988 . 1 1 104 104 HIS CE1  C 13 136.801 0.400 . 1 . . . . 104 HIS CE1  . 7093 1 
      989 . 1 1 104 104 HIS N    N 15 126.357 0.400 . 1 . . . . 104 HIS N    . 7093 1 
      990 . 2 2   1   1 TSA H2   H  1   6.49  0.005 . 1 . . . .    . .   H2   . 7093 1 
      991 . 2 2   1   1 TSA H3   H  1   5.69  0.005 . 1 . . . .    . .   H3   . 7093 1 
      992 . 2 2   1   1 TSA H4   H  1   4.37  0.005 . 1 . . . .    . .   H4   . 7093 1 
      993 . 2 2   1   1 TSA H5   H  1   4.30  0.005 . 1 . . . .    . .   H5   . 7093 1 
      994 . 2 2   1   1 TSA H8   H  1   4.00  0.005 . 1 . . . .    . .   H8   . 7093 1 
      995 . 2 2   1   1 TSA HO5  H  1   6.33  0.005 . 1 . . . .    . .   HO5  . 7093 1 
      996 . 2 2   1   1 TSA H61  H  1   1.74  0.005 . 1 . . . .    . .   1H6  . 7093 1 
      997 . 2 2   1   1 TSA H91  H  1   1.82  0.005 . 1 . . . .    . .   1H9  . 7093 1 
      998 . 2 2   1   1 TSA H62  H  1   1.93  0.005 . 1 . . . .    . .   2H6  . 7093 1 
      999 . 2 2   1   1 TSA H92  H  1   2.41  0.005 . 1 . . . .    . .   2H9  . 7093 1 

   stop_

save_