data_19165

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

save_entry_information
   _Entry.Sf_category                    entry_information
   _Entry.Sf_framecode                   entry_information
   _Entry.ID                             19165
   _Entry.Title                         
;
Backbone and side chain chemical shift assignments of bacterial acid-stress chaperone HdeA at pH 6
;
   _Entry.Type                           macromolecule
   _Entry.Version_type                   original
   _Entry.Submission_date                2013-04-15
   _Entry.Accession_date                 2013-04-15
   _Entry.Last_release_date              2013-12-12
   _Entry.Original_release_date          2013-12-12
   _Entry.Origination                    author
   _Entry.NMR_STAR_version               3.1.1.61
   _Entry.Original_NMR_STAR_version      3.1
   _Entry.Experimental_method            NMR
   _Entry.Experimental_method_subtype    solution
   _Entry.Details                        .
   _Entry.BMRB_internal_directory_name   .

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

      1 Karin Crowhurst . A. . 19165 

   stop_

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

      1 . 'California State University Northridge' . 19165 

   stop_

   loop_
      _Data_set.Type
      _Data_set.Count
      _Data_set.Entry_ID

      assigned_chemical_shifts 1 19165 

   stop_

   loop_
      _Datum.Type
      _Datum.Count
      _Datum.Entry_ID

      '13C chemical shifts' 358 19165 
      '15N chemical shifts'  91 19165 
      '1H chemical shifts'  493 19165 

   stop_

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

      1 . . 2013-12-12 2013-04-15 original author . 19165 

   stop_

save_


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

save_entry_citation
   _Citation.Sf_category                  citations
   _Citation.Sf_framecode                 entry_citation
   _Citation.Entry_ID                     19165
   _Citation.ID                           1
   _Citation.Class                       'entry citation'
   _Citation.CAS_abstract_code            .
   _Citation.MEDLINE_UI_code              .
   _Citation.DOI                          .
   _Citation.PubMed_ID                    .
   _Citation.Full_citation                .
   _Citation.Title                       '13C, 15N and 1H backbone and side chain chemical shift assignment of acid-stress bacterial chaperone HdeA at pH 6'
   _Citation.Status                      'in preparation'
   _Citation.Type                         journal
   _Citation.Journal_abbrev              'Biomol. NMR Assignments'
   _Citation.Journal_name_full            .
   _Citation.Journal_volume               .
   _Citation.Journal_issue                .
   _Citation.Journal_ASTM                 .
   _Citation.Journal_ISSN                 .
   _Citation.Journal_CSD                  .
   _Citation.Book_title                   .
   _Citation.Book_chapter_title           .
   _Citation.Book_volume                  .
   _Citation.Book_series                  .
   _Citation.Book_publisher               .
   _Citation.Book_publisher_city          .
   _Citation.Book_ISBN                    .
   _Citation.Conference_title             .
   _Citation.Conference_site              .
   _Citation.Conference_state_province    .
   _Citation.Conference_country           .
   _Citation.Conference_start_date        .
   _Citation.Conference_end_date          .
   _Citation.Conference_abstract_number   .
   _Citation.Thesis_institution           .
   _Citation.Thesis_institution_city      .
   _Citation.Thesis_institution_country   .
   _Citation.WWW_URL                      .
   _Citation.Page_first                   .
   _Citation.Page_last                    .
   _Citation.Year                         .
   _Citation.Details                      .

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

      1 Karin Crowhurst . A. . 19165 1 

   stop_

   loop_
      _Citation_keyword.Keyword
      _Citation_keyword.Entry_ID
      _Citation_keyword.Citation_ID

       chaperone                  19165 1 
      'chemical shift assignment' 19165 1 
      'E. coli'                   19165 1 
       HdeA                       19165 1 
       NMR                        19165 1 

   stop_

save_


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

save_assembly
   _Assembly.Sf_category                       assembly
   _Assembly.Sf_framecode                      assembly
   _Assembly.Entry_ID                          19165
   _Assembly.ID                                1
   _Assembly.Name                             'HdeA homodimer'
   _Assembly.BMRB_code                         .
   _Assembly.Number_of_components              2
   _Assembly.Organic_ligands                   .
   _Assembly.Metal_ions                        .
   _Assembly.Non_standard_bonds                no
   _Assembly.Ambiguous_conformational_states   .
   _Assembly.Ambiguous_chem_comp_sites         .
   _Assembly.Molecules_in_chemical_exchange    .
   _Assembly.Paramagnetic                      no
   _Assembly.Thiol_state                       .
   _Assembly.Molecular_mass                    19482
   _Assembly.Enzyme_commission_number          .
   _Assembly.Details                          'Symmetric homodimer of HdeA at pH 6'
   _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 'monomer 1' 1 $HdeA A . yes native no no . . . 19165 1 
      2 'monomer 2' 1 $HdeA B . no  native no no . . . 19165 1 

   stop_

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

      1 disulfide single . 1 . 1 CYS 18 18 SG . 1 . 1 CYS 66 66 SG . . . . . . . . . . 19165 1 
      2 disulfide single . 2 . 1 CYS 18 18 SG . 2 . 1 CYS 66 66 SG . . . . . . . . . . 19165 1 

   stop_

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

      yes PDB 1DJ8 . . X-ray 2.0 none . 19165 1 

   stop_

save_


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

save_HdeA
   _Entity.Sf_category                       entity
   _Entity.Sf_framecode                      HdeA
   _Entity.Entry_ID                          19165
   _Entity.ID                                1
   _Entity.BMRB_code                         .
   _Entity.Name                              HdeA
   _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      
;
ADAQKAADNKKPVNSWTCED
FLAVDESFQPTAVGFAEALN
NKDKPEDAVLDVQGIATVTP
AIVQACTQDKQANFKDKVKG
EWDKIKKDM
;
   _Entity.Target_identifier                 .
   _Entity.Polymer_author_defined_seq        .
   _Entity.Polymer_author_seq_details        .
   _Entity.Ambiguous_conformational_states   yes
   _Entity.Ambiguous_chem_comp_sites         no
   _Entity.Nstd_monomer                      no
   _Entity.Nstd_chirality                    no
   _Entity.Nstd_linkage                      no
   _Entity.Nonpolymer_comp_ID                .
   _Entity.Nonpolymer_comp_label             .
   _Entity.Number_of_monomers                89
   _Entity.Number_of_nonpolymer_components   .
   _Entity.Paramagnetic                      no
   _Entity.Thiol_state                      'all disulfide bound'
   _Entity.Src_method                        .
   _Entity.Parent_entity_ID                  .
   _Entity.Fragment                          .
   _Entity.Mutation                          .
   _Entity.EC_number                         .
   _Entity.Calc_isoelectric_point            .
   _Entity.Formula_weight                    9741
   _Entity.Formula_weight_exptl              .
   _Entity.Formula_weight_exptl_meth         .
   _Entity.Details                           .
   _Entity.DB_query_date                     .
   _Entity.DB_query_revised_last_date        2013-12-19

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

      no PDB  1BG8      . "Hdea From Escherichia Coli"                                                                                                      . . . . . 100.00  89 100.00 100.00 3.77e-55 . . . . 19165 1 
      no PDB  1DJ8      . "Crystal Structure Of E. Coli Periplasmic Protein Hdea"                                                                           . . . . . 100.00  89 100.00 100.00 3.77e-55 . . . . 19165 1 
      no DBJ  BAA01883  . "10K-L protein [Escherichia coli]"                                                                                                . . . . . 100.00 110 100.00 100.00 1.77e-55 . . . . 19165 1 
      no DBJ  BAB37813  . "hypothetical protein [Escherichia coli O157:H7 str. Sakai]"                                                                      . . . . . 100.00 110 100.00 100.00 1.77e-55 . . . . 19165 1 
      no DBJ  BAE77784  . "stress response protein acid-resistance protein [Escherichia coli str. K12 substr. W3110]"                                       . . . . . 100.00 110 100.00 100.00 1.77e-55 . . . . 19165 1 
      no DBJ  BAG79302  . "conserved hypothetical protein [Escherichia coli SE11]"                                                                          . . . . . 100.00 110 100.00 100.00 1.77e-55 . . . . 19165 1 
      no DBJ  BAI27765  . "stress response protein acid-resistance protein HdeD [Escherichia coli O26:H11 str. 11368]"                                      . . . . . 100.00 110 100.00 100.00 1.77e-55 . . . . 19165 1 
      no EMBL CAP77965  . "Protein hdeA [Escherichia coli LF82]"                                                                                            . . . . . 100.00 110  97.75 100.00 5.76e-54 . . . . 19165 1 
      no EMBL CAQ33828  . "acid-resistance protein, possible chaperone, subunit of HdeA dimer, inactive form of acid-resistance protein [Escherichia coli " . . . . . 100.00 110 100.00 100.00 1.77e-55 . . . . 19165 1 
      no EMBL CAR00456  . "stress response protein acid-resistance protein [Escherichia coli IAI1]"                                                         . . . . . 100.00 110 100.00 100.00 1.77e-55 . . . . 19165 1 
      no EMBL CAR05133  . "stress response protein acid-resistance protein [Escherichia coli S88]"                                                          . . . . . 100.00 110  97.75 100.00 5.76e-54 . . . . 19165 1 
      no EMBL CAR10321  . "stress response protein acid-resistance protein [Escherichia coli ED1a]"                                                         . . . . . 100.00 110  97.75 100.00 5.76e-54 . . . . 19165 1 
      no GB   AAB18486  . "alternate name 10K-L of D11109 [Escherichia coli str. K-12 substr. MG1655]"                                                      . . . . . 100.00 110 100.00 100.00 1.77e-55 . . . . 19165 1 
      no GB   AAC76535  . "stress response protein acid-resistance protein [Escherichia coli str. K-12 substr. MG1655]"                                     . . . . . 100.00 110 100.00 100.00 1.77e-55 . . . . 19165 1 
      no GB   AAG58651  . "orf, hypothetical protein [Escherichia coli O157:H7 str. EDL933]"                                                                . . . . . 100.00 110 100.00 100.00 1.77e-55 . . . . 19165 1 
      no GB   AAN44999  . "conserved hypothetical protein [Shigella flexneri 2a str. 301]"                                                                  . . . . . 100.00 110 100.00 100.00 1.77e-55 . . . . 19165 1 
      no GB   AAN82757  . "Protein hdeA precursor [Escherichia coli CFT073]"                                                                                . . . . . 100.00 110  97.75 100.00 5.76e-54 . . . . 19165 1 
      no PRF  1912293A  . "10K-L protein"                                                                                                                   . . . . . 100.00 110 100.00 100.00 1.77e-55 . . . . 19165 1 
      no REF  NP_290090 . "acid-resistance protein [Escherichia coli O157:H7 str. EDL933]"                                                                  . . . . . 100.00 110 100.00 100.00 1.77e-55 . . . . 19165 1 
      no REF  NP_312417 . "acid-resistance protein [Escherichia coli O157:H7 str. Sakai]"                                                                   . . . . . 100.00 110 100.00 100.00 1.77e-55 . . . . 19165 1 
      no REF  NP_417967 . "stress response protein acid-resistance protein [Escherichia coli str. K-12 substr. MG1655]"                                     . . . . . 100.00 110 100.00 100.00 1.77e-55 . . . . 19165 1 
      no REF  NP_709292 . "acid-resistance protein [Shigella flexneri 2a str. 301]"                                                                         . . . . . 100.00 110 100.00 100.00 1.77e-55 . . . . 19165 1 
      no REF  NP_756183 . "acid-resistance protein [Escherichia coli CFT073]"                                                                               . . . . . 100.00 110  97.75 100.00 5.76e-54 . . . . 19165 1 
      no SP   P0AES9    . "RecName: Full=Acid stress chaperone HdeA; AltName: Full=10K-S protein; Flags: Precursor"                                         . . . . . 100.00 110 100.00 100.00 1.77e-55 . . . . 19165 1 
      no SP   P0AET0    . "RecName: Full=Acid stress chaperone HdeA; Flags: Precursor"                                                                      . . . . . 100.00 110 100.00 100.00 1.77e-55 . . . . 19165 1 
      no SP   P0AET1    . "RecName: Full=Acid stress chaperone HdeA; Flags: Precursor"                                                                      . . . . . 100.00 110 100.00 100.00 1.77e-55 . . . . 19165 1 

   stop_

   loop_
      _Entity_biological_function.Biological_function
      _Entity_biological_function.Entry_ID
      _Entity_biological_function.Entity_ID

      'acid-stress bacterial chaperone' 19165 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 . ALA . 19165 1 
       2 . ASP . 19165 1 
       3 . ALA . 19165 1 
       4 . GLN . 19165 1 
       5 . LYS . 19165 1 
       6 . ALA . 19165 1 
       7 . ALA . 19165 1 
       8 . ASP . 19165 1 
       9 . ASN . 19165 1 
      10 . LYS . 19165 1 
      11 . LYS . 19165 1 
      12 . PRO . 19165 1 
      13 . VAL . 19165 1 
      14 . ASN . 19165 1 
      15 . SER . 19165 1 
      16 . TRP . 19165 1 
      17 . THR . 19165 1 
      18 . CYS . 19165 1 
      19 . GLU . 19165 1 
      20 . ASP . 19165 1 
      21 . PHE . 19165 1 
      22 . LEU . 19165 1 
      23 . ALA . 19165 1 
      24 . VAL . 19165 1 
      25 . ASP . 19165 1 
      26 . GLU . 19165 1 
      27 . SER . 19165 1 
      28 . PHE . 19165 1 
      29 . GLN . 19165 1 
      30 . PRO . 19165 1 
      31 . THR . 19165 1 
      32 . ALA . 19165 1 
      33 . VAL . 19165 1 
      34 . GLY . 19165 1 
      35 . PHE . 19165 1 
      36 . ALA . 19165 1 
      37 . GLU . 19165 1 
      38 . ALA . 19165 1 
      39 . LEU . 19165 1 
      40 . ASN . 19165 1 
      41 . ASN . 19165 1 
      42 . LYS . 19165 1 
      43 . ASP . 19165 1 
      44 . LYS . 19165 1 
      45 . PRO . 19165 1 
      46 . GLU . 19165 1 
      47 . ASP . 19165 1 
      48 . ALA . 19165 1 
      49 . VAL . 19165 1 
      50 . LEU . 19165 1 
      51 . ASP . 19165 1 
      52 . VAL . 19165 1 
      53 . GLN . 19165 1 
      54 . GLY . 19165 1 
      55 . ILE . 19165 1 
      56 . ALA . 19165 1 
      57 . THR . 19165 1 
      58 . VAL . 19165 1 
      59 . THR . 19165 1 
      60 . PRO . 19165 1 
      61 . ALA . 19165 1 
      62 . ILE . 19165 1 
      63 . VAL . 19165 1 
      64 . GLN . 19165 1 
      65 . ALA . 19165 1 
      66 . CYS . 19165 1 
      67 . THR . 19165 1 
      68 . GLN . 19165 1 
      69 . ASP . 19165 1 
      70 . LYS . 19165 1 
      71 . GLN . 19165 1 
      72 . ALA . 19165 1 
      73 . ASN . 19165 1 
      74 . PHE . 19165 1 
      75 . LYS . 19165 1 
      76 . ASP . 19165 1 
      77 . LYS . 19165 1 
      78 . VAL . 19165 1 
      79 . LYS . 19165 1 
      80 . GLY . 19165 1 
      81 . GLU . 19165 1 
      82 . TRP . 19165 1 
      83 . ASP . 19165 1 
      84 . LYS . 19165 1 
      85 . ILE . 19165 1 
      86 . LYS . 19165 1 
      87 . LYS . 19165 1 
      88 . ASP . 19165 1 
      89 . MET . 19165 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

      . ALA  1  1 19165 1 
      . ASP  2  2 19165 1 
      . ALA  3  3 19165 1 
      . GLN  4  4 19165 1 
      . LYS  5  5 19165 1 
      . ALA  6  6 19165 1 
      . ALA  7  7 19165 1 
      . ASP  8  8 19165 1 
      . ASN  9  9 19165 1 
      . LYS 10 10 19165 1 
      . LYS 11 11 19165 1 
      . PRO 12 12 19165 1 
      . VAL 13 13 19165 1 
      . ASN 14 14 19165 1 
      . SER 15 15 19165 1 
      . TRP 16 16 19165 1 
      . THR 17 17 19165 1 
      . CYS 18 18 19165 1 
      . GLU 19 19 19165 1 
      . ASP 20 20 19165 1 
      . PHE 21 21 19165 1 
      . LEU 22 22 19165 1 
      . ALA 23 23 19165 1 
      . VAL 24 24 19165 1 
      . ASP 25 25 19165 1 
      . GLU 26 26 19165 1 
      . SER 27 27 19165 1 
      . PHE 28 28 19165 1 
      . GLN 29 29 19165 1 
      . PRO 30 30 19165 1 
      . THR 31 31 19165 1 
      . ALA 32 32 19165 1 
      . VAL 33 33 19165 1 
      . GLY 34 34 19165 1 
      . PHE 35 35 19165 1 
      . ALA 36 36 19165 1 
      . GLU 37 37 19165 1 
      . ALA 38 38 19165 1 
      . LEU 39 39 19165 1 
      . ASN 40 40 19165 1 
      . ASN 41 41 19165 1 
      . LYS 42 42 19165 1 
      . ASP 43 43 19165 1 
      . LYS 44 44 19165 1 
      . PRO 45 45 19165 1 
      . GLU 46 46 19165 1 
      . ASP 47 47 19165 1 
      . ALA 48 48 19165 1 
      . VAL 49 49 19165 1 
      . LEU 50 50 19165 1 
      . ASP 51 51 19165 1 
      . VAL 52 52 19165 1 
      . GLN 53 53 19165 1 
      . GLY 54 54 19165 1 
      . ILE 55 55 19165 1 
      . ALA 56 56 19165 1 
      . THR 57 57 19165 1 
      . VAL 58 58 19165 1 
      . THR 59 59 19165 1 
      . PRO 60 60 19165 1 
      . ALA 61 61 19165 1 
      . ILE 62 62 19165 1 
      . VAL 63 63 19165 1 
      . GLN 64 64 19165 1 
      . ALA 65 65 19165 1 
      . CYS 66 66 19165 1 
      . THR 67 67 19165 1 
      . GLN 68 68 19165 1 
      . ASP 69 69 19165 1 
      . LYS 70 70 19165 1 
      . GLN 71 71 19165 1 
      . ALA 72 72 19165 1 
      . ASN 73 73 19165 1 
      . PHE 74 74 19165 1 
      . LYS 75 75 19165 1 
      . ASP 76 76 19165 1 
      . LYS 77 77 19165 1 
      . VAL 78 78 19165 1 
      . LYS 79 79 19165 1 
      . GLY 80 80 19165 1 
      . GLU 81 81 19165 1 
      . TRP 82 82 19165 1 
      . ASP 83 83 19165 1 
      . LYS 84 84 19165 1 
      . ILE 85 85 19165 1 
      . LYS 86 86 19165 1 
      . LYS 87 87 19165 1 
      . ASP 88 88 19165 1 
      . MET 89 89 19165 1 

   stop_

save_


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

save_natural_source
   _Entity_natural_src_list.Sf_category    natural_source
   _Entity_natural_src_list.Sf_framecode   natural_source
   _Entity_natural_src_list.Entry_ID       19165
   _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 $HdeA . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 19165 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       19165
   _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 $HdeA . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET21a . . . . . . 19165 1 

   stop_

save_


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

save_sample_1
   _Sample.Sf_category                      sample
   _Sample.Sf_framecode                     sample_1
   _Sample.Entry_ID                         19165
   _Sample.ID                               1
   _Sample.Type                             solution
   _Sample.Sub_type                         .
   _Sample.Details                          .
   _Sample.Aggregate_sample_number          .
   _Sample.Solvent_system                  '90% H2O/10% D2O'
   _Sample.Preparation_date                 .
   _Sample.Preparation_expiration_date      .
   _Sample.Polycrystallization_protocol     .
   _Sample.Single_crystal_protocol          .
   _Sample.Crystal_grow_apparatus           .
   _Sample.Crystal_grow_atmosphere          .
   _Sample.Crystal_grow_details             .
   _Sample.Crystal_grow_method              .
   _Sample.Crystal_grow_method_cit_ID       .
   _Sample.Crystal_grow_pH                  .
   _Sample.Crystal_grow_pH_range            .
   _Sample.Crystal_grow_pressure            .
   _Sample.Crystal_grow_pressure_esd        .
   _Sample.Crystal_grow_seeding             .
   _Sample.Crystal_grow_seeding_cit_ID      .
   _Sample.Crystal_grow_temp                .
   _Sample.Crystal_grow_temp_details        .
   _Sample.Crystal_grow_temp_esd            .
   _Sample.Crystal_grow_time                .
   _Sample.Oriented_sample_prep_protocol    .
   _Sample.Lyophilization_cryo_protectant   .
   _Sample.Storage_protocol                 .

   loop_
      _Sample_component.ID
      _Sample_component.Mol_common_name
      _Sample_component.Isotopic_labeling
      _Sample_component.Assembly_ID
      _Sample_component.Assembly_label
      _Sample_component.Entity_ID
      _Sample_component.Entity_label
      _Sample_component.Product_ID
      _Sample_component.Type
      _Sample_component.Concentration_val
      _Sample_component.Concentration_val_min
      _Sample_component.Concentration_val_max
      _Sample_component.Concentration_val_units
      _Sample_component.Concentration_val_err
      _Sample_component.Vendor
      _Sample_component.Vendor_product_name
      _Sample_component.Vendor_product_code
      _Sample_component.Entry_ID
      _Sample_component.Sample_ID

      1  HdeA          '[U-99% 13C; U-99% 15N]' . . 1 $HdeA . . 1.4 . . mM . . . . 19165 1 
      2  bis-tris      'natural abundance'      . .  .  .    . . 5   . . mM . . . . 19165 1 
      3 'sodium azide' 'natural abundance'      . .  .  .    . . 2   . . mM . . . . 19165 1 
      4  DSS           'natural abundance'      . .  .  .    . . 0.2 . . mM . . . . 19165 1 

   stop_

save_


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

save_sample_conditions_1
   _Sample_condition_list.Sf_category    sample_conditions
   _Sample_condition_list.Sf_framecode   sample_conditions_1
   _Sample_condition_list.Entry_ID       19165
   _Sample_condition_list.ID             1
   _Sample_condition_list.Details        .

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

      'ionic strength'   0.05 . M   19165 1 
       pH                6.0  . pH  19165 1 
       pressure          1    . atm 19165 1 
       temperature     273    . K   19165 1 

   stop_

save_


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

save_VNMRJ
   _Software.Sf_category    software
   _Software.Sf_framecode   VNMRJ
   _Software.Entry_ID       19165
   _Software.ID             1
   _Software.Name           VNMRJ
   _Software.Version        3.2
   _Software.Details        .

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

      Varian . . 19165 1 

   stop_

   loop_
      _Task.Task
      _Task.Entry_ID
      _Task.Software_ID

      collection 19165 1 

   stop_

save_


save_NMRDraw
   _Software.Sf_category    software
   _Software.Sf_framecode   NMRDraw
   _Software.Entry_ID       19165
   _Software.ID             2
   _Software.Name           NMRDraw
   _Software.Version        7.5
   _Software.Details        .

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

      'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . http://spin.niddk.nih.gov/NMRPipe/ 19165 2 

   stop_

   loop_
      _Task.Task
      _Task.Entry_ID
      _Task.Software_ID

      processing 19165 2 

   stop_

save_


save_NMRView
   _Software.Sf_category    software
   _Software.Sf_framecode   NMRView
   _Software.Entry_ID       19165
   _Software.ID             3
   _Software.Name           NMRView
   _Software.Version        8.2.29
   _Software.Details        .

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

      'Johnson, One Moon Scientific' . http://www.onemoonscientific.com/nmrviewj 19165 3 

   stop_

   loop_
      _Task.Task
      _Task.Entry_ID
      _Task.Software_ID

      'chemical shift assignment' 19165 3 
      'peak picking'              19165 3 

   stop_

save_


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

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

save_spectrometer_1
   _NMR_spectrometer.Sf_category      NMR_spectrometer
   _NMR_spectrometer.Sf_framecode     spectrometer_1
   _NMR_spectrometer.Entry_ID         19165
   _NMR_spectrometer.ID               1
   _NMR_spectrometer.Details          .
   _NMR_spectrometer.Manufacturer     Agilent
   _NMR_spectrometer.Model            DD2
   _NMR_spectrometer.Serial_number    .
   _NMR_spectrometer.Field_strength   600

save_


save_NMR_spectrometer_list
   _NMR_spectrometer_list.Sf_category    NMR_spectrometer_list
   _NMR_spectrometer_list.Sf_framecode   NMR_spectrometer_list
   _NMR_spectrometer_list.Entry_ID       19165
   _NMR_spectrometer_list.ID             1

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

      1 spectrometer_1 Agilent DD2 . 600 . . . 19165 1 

   stop_

save_


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

save_experiment_list
   _Experiment_list.Sf_category    experiment_list
   _Experiment_list.Sf_framecode   experiment_list
   _Experiment_list.Entry_ID       19165
   _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 '2D 1H-15N HSQC'            yes 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19165 1 
       2 '2D 1H-13C HSQC aliphatic'  yes 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19165 1 
       3 '2D 1H-13C HSQC aromatic'   yes 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19165 1 
       4 '3D CBCA(CO)NH'             yes 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19165 1 
       5 '3D HNCACB'                 yes 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19165 1 
       6 '3D C(CO)NH'                no  1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19165 1 
       7 '3D H(CCO)NH'               no  1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19165 1 
       8 '3D HCCH-TOCSY'             no  1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19165 1 
       9 '3D HNCO'                   no  1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19165 1 
      10 '3D HNHA'                   no  1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19165 1 
      11 '3D 1H-15N NOESY'           no  1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19165 1 
      12 '3D 1H-13C NOESY aliphatic' no  1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19165 1 
      13 '3D 1H-13C NOESY aromatic'  no  1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19165 1 
      14 '3D CCC-TOCSY (aromatic)'   no  1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19165 1 
      15 '2D HbCbCgCdHd'             no  1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19165 1 
      16 '2D HbCbCgCdCeHe'           no  1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19165 1 

   stop_

save_


save_NMR_spectrometer_expt
   _NMR_spec_expt.Sf_category                     NMR_spectrometer_expt
   _NMR_spec_expt.Sf_framecode                    NMR_spectrometer_expt
   _NMR_spec_expt.Entry_ID                        19165
   _NMR_spec_expt.ID                              1
   _NMR_spec_expt.Name                            .
   _NMR_spec_expt.Type                            .
   _NMR_spec_expt.Sample_volume                   .
   _NMR_spec_expt.Sample_volume_units             .
   _NMR_spec_expt.NMR_tube_type                   .
   _NMR_spec_expt.Sample_spinning_rate            .
   _NMR_spec_expt.Sample_angle                    .
   _NMR_spec_expt.NMR_spectrometer_ID             1
   _NMR_spec_expt.NMR_spectrometer_label         $spectrometer_1
   _NMR_spec_expt.NMR_spectrometer_probe_ID       .
   _NMR_spec_expt.NMR_spectrometer_probe_label    .
   _NMR_spec_expt.Carrier_freq_switch_time        .
   _NMR_spec_expt.Software_ID                     .
   _NMR_spec_expt.Software_label                  .
   _NMR_spec_expt.Method_ID                       .
   _NMR_spec_expt.Method_label                    .
   _NMR_spec_expt.Pulse_seq_accession_BMRB_code   .
   _NMR_spec_expt.Details                         .

save_


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

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

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

save_chemical_shift_reference_1
   _Chem_shift_reference.Sf_category    chem_shift_reference
   _Chem_shift_reference.Sf_framecode   chemical_shift_reference_1
   _Chem_shift_reference.Entry_ID       19165
   _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 protons' . . . . ppm 0.00 na       indirect 0.251449530 . . . . . . . . . 19165 1 
      H  1 DSS 'methyl protons' . . . . ppm 0.00 internal direct   1.000000000 . . . . . . . . . 19165 1 
      N 15 DSS 'methyl protons' . . . . ppm 0.00 na       indirect 0.101329118 . . . . . . . . . 19165 1 

   stop_

save_


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

###################################################################
#       Chemical Shift Ambiguity Index Value Definitions          #
#                                                                 #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains.                              #
#                                                                 #
#   Index Value            Definition                             #
#                                                                 #
#      1             Unique (including isolated methyl protons,   #
#                         geminal atoms, and geminal methyl       #
#                         groups with identical chemical shifts)  #
#                         (e.g. ILE HD11, HD12, HD13 protons)     #
#      2             Ambiguity of geminal atoms or geminal methyl #
#                         proton groups (e.g. ASP HB2 and HB3     #
#                         protons, LEU CD1 and CD2 carbons, or    #
#                         LEU HD11, HD12, HD13 and HD21, HD22,    #
#                         HD23 methyl protons)                    #
#      3             Aromatic atoms on opposite sides of          #
#                         symmetrical rings (e.g. TYR HE1 and HE2 #
#                         protons)                                #
#      4             Intraresidue ambiguities (e.g. LYS HG and    #
#                         HD protons or TRP HZ2 and HZ3 protons)  #
#      5             Interresidue ambiguities (LYS 12 vs. LYS 27) #
#      6             Intermolecular ambiguities (e.g. ASP 31 CA   #
#                         in monomer 1 and ASP 31 CA in monomer 2 #
#                         of an asymmetrical homodimer, duplex    #
#                         DNA assignments, or other assignments   #
#                         that may apply to atoms in one or more  #
#                         molecule in the molecular assembly)     #
#      9             Ambiguous, specific ambiguity not defined    #
#                                                                 #
###################################################################
save_assigned_chem_shift_list_1
   _Assigned_chem_shift_list.Sf_category                   assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                  assigned_chem_shift_list_1
   _Assigned_chem_shift_list.Entry_ID                      19165
   _Assigned_chem_shift_list.ID                            1
   _Assigned_chem_shift_list.Sample_condition_list_ID      1
   _Assigned_chem_shift_list.Sample_condition_list_label  $sample_conditions_1
   _Assigned_chem_shift_list.Chem_shift_reference_ID       1
   _Assigned_chem_shift_list.Chem_shift_reference_label   $chemical_shift_reference_1
   _Assigned_chem_shift_list.Chem_shift_1H_err             .
   _Assigned_chem_shift_list.Chem_shift_13C_err            .
   _Assigned_chem_shift_list.Chem_shift_15N_err            .
   _Assigned_chem_shift_list.Chem_shift_31P_err            .
   _Assigned_chem_shift_list.Chem_shift_2H_err             .
   _Assigned_chem_shift_list.Chem_shift_19F_err            .
   _Assigned_chem_shift_list.Error_derivation_method       .
   _Assigned_chem_shift_list.Details                       .
   _Assigned_chem_shift_list.Text_data_format              .
   _Assigned_chem_shift_list.Text_data                     .

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

       1 '2D 1H-15N HSQC'            . . . 19165 1 
       2 '2D 1H-13C HSQC aliphatic'  . . . 19165 1 
       3 '2D 1H-13C HSQC aromatic'   . . . 19165 1 
       4 '3D CBCA(CO)NH'             . . . 19165 1 
       5 '3D HNCACB'                 . . . 19165 1 
       6 '3D C(CO)NH'                . . . 19165 1 
       7 '3D H(CCO)NH'               . . . 19165 1 
       8 '3D HCCH-TOCSY'             . . . 19165 1 
       9 '3D HNCO'                   . . . 19165 1 
      10 '3D HNHA'                   . . . 19165 1 
      11 '3D 1H-15N NOESY'           . . . 19165 1 
      12 '3D 1H-13C NOESY aliphatic' . . . 19165 1 
      13 '3D 1H-13C NOESY aromatic'  . . . 19165 1 
      14 '3D CCC-TOCSY (aromatic)'   . . . 19165 1 
      15 '2D HbCbCgCdHd'             . . . 19165 1 
      16 '2D HbCbCgCdCeHe'           . . . 19165 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  1  1 ALA HB1  H  1   1.5037  0.03 . 1 . . . .  1 ALA HB3  . 19165 1 
        2 . 1 1  1  1 ALA HB2  H  1   1.5037  0.03 . 1 . . . .  1 ALA HB3  . 19165 1 
        3 . 1 1  1  1 ALA HB3  H  1   1.5037  0.03 . 1 . . . .  1 ALA HB3  . 19165 1 
        4 . 1 1  1  1 ALA C    C 13 173.5473  0.3  . 1 . . . .  1 ALA C    . 19165 1 
        5 . 1 1  1  1 ALA CA   C 13  51.7949  0.3  . 1 . . . .  1 ALA CA   . 19165 1 
        6 . 1 1  1  1 ALA CB   C 13  19.3296  0.3  . 1 . . . .  1 ALA CB   . 19165 1 
        7 . 1 1  2  2 ASP H    H  1   8.6570  0.03 . 1 . . . .  2 ASP HN   . 19165 1 
        8 . 1 1  2  2 ASP HA   H  1   4.6145  0.03 . 1 . . . .  2 ASP HA   . 19165 1 
        9 . 1 1  2  2 ASP HB2  H  1   2.7204  0.03 . 2 . . . .  2 ASP HB2  . 19165 1 
       10 . 1 1  2  2 ASP HB3  H  1   2.5501  0.03 . 2 . . . .  2 ASP HB3  . 19165 1 
       11 . 1 1  2  2 ASP C    C 13 175.8470  0.3  . 1 . . . .  2 ASP C    . 19165 1 
       12 . 1 1  2  2 ASP CA   C 13  54.3818  0.3  . 1 . . . .  2 ASP CA   . 19165 1 
       13 . 1 1  2  2 ASP CB   C 13  41.4009  0.3  . 1 . . . .  2 ASP CB   . 19165 1 
       14 . 1 1  2  2 ASP N    N 15 120.9254  0.2  . 1 . . . .  2 ASP N    . 19165 1 
       15 . 1 1  3  3 ALA H    H  1   8.4704  0.03 . 1 . . . .  3 ALA HN   . 19165 1 
       16 . 1 1  3  3 ALA HA   H  1   4.2608  0.03 . 1 . . . .  3 ALA HA   . 19165 1 
       17 . 1 1  3  3 ALA HB1  H  1   1.3723  0.03 . 1 . . . .  3 ALA HB3  . 19165 1 
       18 . 1 1  3  3 ALA HB2  H  1   1.3723  0.03 . 1 . . . .  3 ALA HB3  . 19165 1 
       19 . 1 1  3  3 ALA HB3  H  1   1.3723  0.03 . 1 . . . .  3 ALA HB3  . 19165 1 
       20 . 1 1  3  3 ALA C    C 13 177.7396  0.3  . 1 . . . .  3 ALA C    . 19165 1 
       21 . 1 1  3  3 ALA CA   C 13  52.7309  0.3  . 1 . . . .  3 ALA CA   . 19165 1 
       22 . 1 1  3  3 ALA CB   C 13  19.1490  0.3  . 1 . . . .  3 ALA CB   . 19165 1 
       23 . 1 1  3  3 ALA N    N 15 124.9513  0.2  . 1 . . . .  3 ALA N    . 19165 1 
       24 . 1 1  4  4 GLN H    H  1   8.3873  0.03 . 1 . . . .  4 GLN HN   . 19165 1 
       25 . 1 1  4  4 GLN HA   H  1   4.2546  0.03 . 1 . . . .  4 GLN HA   . 19165 1 
       26 . 1 1  4  4 GLN HB3  H  1   2.3437  0.03 . 2 . . . .  4 GLN HB3  . 19165 1 
       27 . 1 1  4  4 GLN HG2  H  1   2.0208  0.03 . 2 . . . .  4 GLN HG2  . 19165 1 
       28 . 1 1  4  4 GLN HE21 H  1   6.8412  0.03 . 2 . . . .  4 GLN HE21 . 19165 1 
       29 . 1 1  4  4 GLN HE22 H  1   7.5679  0.03 . 2 . . . .  4 GLN HE22 . 19165 1 
       30 . 1 1  4  4 GLN C    C 13 176.0130  0.3  . 1 . . . .  4 GLN C    . 19165 1 
       31 . 1 1  4  4 GLN CA   C 13  55.9877  0.3  . 1 . . . .  4 GLN CA   . 19165 1 
       32 . 1 1  4  4 GLN CB   C 13  29.4025  0.3  . 1 . . . .  4 GLN CB   . 19165 1 
       33 . 1 1  4  4 GLN CG   C 13  33.9161  0.3  . 1 . . . .  4 GLN CG   . 19165 1 
       34 . 1 1  4  4 GLN CD   C 13 180.5178  0.3  . 1 . . . .  4 GLN CD   . 19165 1 
       35 . 1 1  4  4 GLN N    N 15 119.4570  0.2  . 1 . . . .  4 GLN N    . 19165 1 
       36 . 1 1  4  4 GLN NE2  N 15 112.6736  0.2  . 1 . . . .  4 GLN NE2  . 19165 1 
       37 . 1 1  5  5 LYS H    H  1   8.2766  0.03 . 1 . . . .  5 LYS HN   . 19165 1 
       38 . 1 1  5  5 LYS HA   H  1   4.2701  0.03 . 1 . . . .  5 LYS HA   . 19165 1 
       39 . 1 1  5  5 LYS HB3  H  1   1.8055  0.03 . 2 . . . .  5 LYS HB3  . 19165 1 
       40 . 1 1  5  5 LYS HG2  H  1   1.4095  0.03 . 2 . . . .  5 LYS HG1  . 19165 1 
       41 . 1 1  5  5 LYS HD2  H  1   1.6813  0.03 . 2 . . . .  5 LYS HD2  . 19165 1 
       42 . 1 1  5  5 LYS HE2  H  1   2.9774  0.03 . 2 . . . .  5 LYS HE1  . 19165 1 
       43 . 1 1  5  5 LYS C    C 13 176.2546  0.3  . 1 . . . .  5 LYS C    . 19165 1 
       44 . 1 1  5  5 LYS CA   C 13  56.1916  0.3  . 1 . . . .  5 LYS CA   . 19165 1 
       45 . 1 1  5  5 LYS CB   C 13  33.1062  0.3  . 1 . . . .  5 LYS CB   . 19165 1 
       46 . 1 1  5  5 LYS CG   C 13  24.5081  0.3  . 1 . . . .  5 LYS CG   . 19165 1 
       47 . 1 1  5  5 LYS CD   C 13  28.9850  0.3  . 1 . . . .  5 LYS CD   . 19165 1 
       48 . 1 1  5  5 LYS CE   C 13  42.2091  0.3  . 1 . . . .  5 LYS CE   . 19165 1 
       49 . 1 1  5  5 LYS N    N 15 122.8539  0.2  . 1 . . . .  5 LYS N    . 19165 1 
       50 . 1 1  6  6 ALA H    H  1   8.3228  0.03 . 1 . . . .  6 ALA HN   . 19165 1 
       51 . 1 1  6  6 ALA HA   H  1   4.2460  0.03 . 1 . . . .  6 ALA HA   . 19165 1 
       52 . 1 1  6  6 ALA HB1  H  1   1.3486  0.03 . 1 . . . .  6 ALA HB3  . 19165 1 
       53 . 1 1  6  6 ALA HB2  H  1   1.3486  0.03 . 1 . . . .  6 ALA HB3  . 19165 1 
       54 . 1 1  6  6 ALA HB3  H  1   1.3486  0.03 . 1 . . . .  6 ALA HB3  . 19165 1 
       55 . 1 1  6  6 ALA C    C 13 177.4873  0.3  . 1 . . . .  6 ALA C    . 19165 1 
       56 . 1 1  6  6 ALA CA   C 13  52.4657  0.3  . 1 . . . .  6 ALA CA   . 19165 1 
       57 . 1 1  6  6 ALA CB   C 13  19.3021  0.3  . 1 . . . .  6 ALA CB   . 19165 1 
       58 . 1 1  6  6 ALA N    N 15 125.7029  0.2  . 1 . . . .  6 ALA N    . 19165 1 
       59 . 1 1  7  7 ALA H    H  1   8.2610  0.03 . 1 . . . .  7 ALA HN   . 19165 1 
       60 . 1 1  7  7 ALA HA   H  1   4.2084  0.03 . 1 . . . .  7 ALA HA   . 19165 1 
       61 . 1 1  7  7 ALA HB1  H  1   1.3254  0.03 . 1 . . . .  7 ALA HB3  . 19165 1 
       62 . 1 1  7  7 ALA HB2  H  1   1.3254  0.03 . 1 . . . .  7 ALA HB3  . 19165 1 
       63 . 1 1  7  7 ALA HB3  H  1   1.3254  0.03 . 1 . . . .  7 ALA HB3  . 19165 1 
       64 . 1 1  7  7 ALA C    C 13 177.4178  0.3  . 1 . . . .  7 ALA C    . 19165 1 
       65 . 1 1  7  7 ALA CA   C 13  52.4340  0.3  . 1 . . . .  7 ALA CA   . 19165 1 
       66 . 1 1  7  7 ALA CB   C 13  19.2576  0.3  . 1 . . . .  7 ALA CB   . 19165 1 
       67 . 1 1  7  7 ALA N    N 15 123.1871  0.2  . 1 . . . .  7 ALA N    . 19165 1 
       68 . 1 1  8  8 ASP H    H  1   8.2230  0.03 . 1 . . . .  8 ASP HN   . 19165 1 
       69 . 1 1  8  8 ASP HA   H  1   4.5477  0.03 . 1 . . . .  8 ASP HA   . 19165 1 
       70 . 1 1  8  8 ASP HB3  H  1   2.6270  0.03 . 2 . . . .  8 ASP HB3  . 19165 1 
       71 . 1 1  8  8 ASP C    C 13 175.8388  0.3  . 1 . . . .  8 ASP C    . 19165 1 
       72 . 1 1  8  8 ASP CA   C 13  54.1728  0.3  . 1 . . . .  8 ASP CA   . 19165 1 
       73 . 1 1  8  8 ASP CB   C 13  41.2657  0.3  . 1 . . . .  8 ASP CB   . 19165 1 
       74 . 1 1  8  8 ASP N    N 15 119.7815  0.2  . 1 . . . .  8 ASP N    . 19165 1 
       75 . 1 1  9  9 ASN H    H  1   8.2985  0.03 . 1 . . . .  9 ASN HN   . 19165 1 
       76 . 1 1  9  9 ASN HA   H  1   4.6310  0.03 . 1 . . . .  9 ASN HA   . 19165 1 
       77 . 1 1  9  9 ASN HB2  H  1   2.8346  0.03 . 2 . . . .  9 ASN HB2  . 19165 1 
       78 . 1 1  9  9 ASN HB3  H  1   2.7825  0.03 . 2 . . . .  9 ASN HB3  . 19165 1 
       79 . 1 1  9  9 ASN HD21 H  1   6.3475  0.03 . 2 . . . .  9 ASN HD21 . 19165 1 
       80 . 1 1  9  9 ASN HD22 H  1   7.2885  0.03 . 2 . . . .  9 ASN HD22 . 19165 1 
       81 . 1 1  9  9 ASN C    C 13 175.3615  0.3  . 1 . . . .  9 ASN C    . 19165 1 
       82 . 1 1  9  9 ASN CA   C 13  53.3774  0.3  . 1 . . . .  9 ASN CA   . 19165 1 
       83 . 1 1  9  9 ASN CB   C 13  38.5193  0.3  . 1 . . . .  9 ASN CB   . 19165 1 
       84 . 1 1  9  9 ASN CG   C 13 176.8274  0.3  . 1 . . . .  9 ASN CG   . 19165 1 
       85 . 1 1  9  9 ASN N    N 15 119.5327  0.2  . 1 . . . .  9 ASN N    . 19165 1 
       86 . 1 1  9  9 ASN ND2  N 15 110.7380  0.2  . 1 . . . .  9 ASN ND2  . 19165 1 
       87 . 1 1 10 10 LYS H    H  1   8.4405  0.03 . 1 . . . . 10 LYS HN   . 19165 1 
       88 . 1 1 10 10 LYS HA   H  1   4.3797  0.03 . 1 . . . . 10 LYS HA   . 19165 1 
       89 . 1 1 10 10 LYS HB3  H  1   1.9185  0.03 . 2 . . . . 10 LYS HB3  . 19165 1 
       90 . 1 1 10 10 LYS HG2  H  1   1.6985  0.03 . 2 . . . . 10 LYS HG1  . 19165 1 
       91 . 1 1 10 10 LYS HD2  H  1   1.5054  0.03 . 2 . . . . 10 LYS HD2  . 19165 1 
       92 . 1 1 10 10 LYS HE2  H  1   2.9990  0.03 . 2 . . . . 10 LYS HE1  . 19165 1 
       93 . 1 1 10 10 LYS C    C 13 175.6432  0.3  . 1 . . . . 10 LYS C    . 19165 1 
       94 . 1 1 10 10 LYS CA   C 13  55.7761  0.3  . 1 . . . . 10 LYS CA   . 19165 1 
       95 . 1 1 10 10 LYS CB   C 13  32.5364  0.3  . 1 . . . . 10 LYS CB   . 19165 1 
       96 . 1 1 10 10 LYS CG   C 13  24.8249  0.3  . 1 . . . . 10 LYS CG   . 19165 1 
       97 . 1 1 10 10 LYS CD   C 13  28.8627  0.3  . 1 . . . . 10 LYS CD   . 19165 1 
       98 . 1 1 10 10 LYS CE   C 13  42.2999  0.3  . 1 . . . . 10 LYS CE   . 19165 1 
       99 . 1 1 10 10 LYS N    N 15 122.0470  0.2  . 1 . . . . 10 LYS N    . 19165 1 
      100 . 1 1 11 11 LYS H    H  1   8.2320  0.03 . 1 . . . . 11 LYS HN   . 19165 1 
      101 . 1 1 11 11 LYS HA   H  1   4.6601  0.03 . 1 . . . . 11 LYS HA   . 19165 1 
      102 . 1 1 11 11 LYS HB3  H  1   1.8730  0.03 . 2 . . . . 11 LYS HB3  . 19165 1 
      103 . 1 1 11 11 LYS HE2  H  1   2.9384  0.03 . 2 . . . . 11 LYS HE1  . 19165 1 
      104 . 1 1 11 11 LYS CA   C 13  54.5130  0.3  . 1 . . . . 11 LYS CA   . 19165 1 
      105 . 1 1 11 11 LYS CB   C 13  33.8084  0.3  . 1 . . . . 11 LYS CB   . 19165 1 
      106 . 1 1 11 11 LYS N    N 15 123.0251  0.2  . 1 . . . . 11 LYS N    . 19165 1 
      107 . 1 1 12 12 PRO HA   H  1   4.2873  0.03 . 1 . . . . 12 PRO HA   . 19165 1 
      108 . 1 1 12 12 PRO HB3  H  1   2.2089  0.03 . 2 . . . . 12 PRO HB3  . 19165 1 
      109 . 1 1 12 12 PRO HG2  H  1   1.9244  0.03 . 2 . . . . 12 PRO HG1  . 19165 1 
      110 . 1 1 12 12 PRO HD2  H  1   4.0586  0.03 . 2 . . . . 12 PRO HD2  . 19165 1 
      111 . 1 1 12 12 PRO HD3  H  1   3.6773  0.03 . 2 . . . . 12 PRO HD3  . 19165 1 
      112 . 1 1 12 12 PRO C    C 13 177.9578  0.3  . 1 . . . . 12 PRO C    . 19165 1 
      113 . 1 1 12 12 PRO CA   C 13  63.7318  0.3  . 1 . . . . 12 PRO CA   . 19165 1 
      114 . 1 1 12 12 PRO CB   C 13  32.9579  0.3  . 1 . . . . 12 PRO CB   . 19165 1 
      115 . 1 1 12 12 PRO CG   C 13  28.0479  0.3  . 1 . . . . 12 PRO CG   . 19165 1 
      116 . 1 1 12 12 PRO CD   C 13  51.3496  0.3  . 1 . . . . 12 PRO CD   . 19165 1 
      117 . 1 1 13 13 VAL H    H  1   7.5368  0.03 . 1 . . . . 13 VAL HN   . 19165 1 
      118 . 1 1 13 13 VAL HA   H  1   2.0864  0.03 . 1 . . . . 13 VAL HA   . 19165 1 
      119 . 1 1 13 13 VAL HB   H  1   1.5306  0.03 . 1 . . . . 13 VAL HB   . 19165 1 
      120 . 1 1 13 13 VAL HG11 H  1   0.5770  0.03 . 2 . . . . 13 VAL HG11 . 19165 1 
      121 . 1 1 13 13 VAL HG12 H  1   0.5770  0.03 . 2 . . . . 13 VAL HG11 . 19165 1 
      122 . 1 1 13 13 VAL HG13 H  1   0.5770  0.03 . 2 . . . . 13 VAL HG11 . 19165 1 
      123 . 1 1 13 13 VAL HG21 H  1   0.1705  0.03 . 2 . . . . 13 VAL HG21 . 19165 1 
      124 . 1 1 13 13 VAL HG22 H  1   0.1705  0.03 . 2 . . . . 13 VAL HG21 . 19165 1 
      125 . 1 1 13 13 VAL HG23 H  1   0.1705  0.03 . 2 . . . . 13 VAL HG21 . 19165 1 
      126 . 1 1 13 13 VAL C    C 13 178.1517  0.3  . 1 . . . . 13 VAL C    . 19165 1 
      127 . 1 1 13 13 VAL CA   C 13  65.2985  0.3  . 1 . . . . 13 VAL CA   . 19165 1 
      128 . 1 1 13 13 VAL CB   C 13  31.1648  0.3  . 1 . . . . 13 VAL CB   . 19165 1 
      129 . 1 1 13 13 VAL CG1  C 13  20.3596  0.3  . 2 . . . . 13 VAL CG1  . 19165 1 
      130 . 1 1 13 13 VAL CG2  C 13  23.7380  0.3  . 2 . . . . 13 VAL CG2  . 19165 1 
      131 . 1 1 13 13 VAL N    N 15 125.5822  0.2  . 1 . . . . 13 VAL N    . 19165 1 
      132 . 1 1 14 14 ASN H    H  1  10.1644  0.03 . 1 . . . . 14 ASN HN   . 19165 1 
      133 . 1 1 14 14 ASN HA   H  1   4.5120  0.03 . 1 . . . . 14 ASN HA   . 19165 1 
      134 . 1 1 14 14 ASN HB2  H  1   2.8537  0.03 . 2 . . . . 14 ASN HB2  . 19165 1 
      135 . 1 1 14 14 ASN HB3  H  1   2.8148  0.03 . 2 . . . . 14 ASN HB3  . 19165 1 
      136 . 1 1 14 14 ASN HD21 H  1   7.1512  0.03 . 2 . . . . 14 ASN HD21 . 19165 1 
      137 . 1 1 14 14 ASN HD22 H  1   7.3133  0.03 . 2 . . . . 14 ASN HD22 . 19165 1 
      138 . 1 1 14 14 ASN C    C 13 176.3708  0.3  . 1 . . . . 14 ASN C    . 19165 1 
      139 . 1 1 14 14 ASN CA   C 13  55.3000  0.3  . 1 . . . . 14 ASN CA   . 19165 1 
      140 . 1 1 14 14 ASN CB   C 13  37.7357  0.3  . 1 . . . . 14 ASN CB   . 19165 1 
      141 . 1 1 14 14 ASN CG   C 13 175.5500  0.3  . 1 . . . . 14 ASN CG   . 19165 1 
      142 . 1 1 14 14 ASN N    N 15 121.7144  0.2  . 1 . . . . 14 ASN N    . 19165 1 
      143 . 1 1 14 14 ASN ND2  N 15 108.1201  0.2  . 1 . . . . 14 ASN ND2  . 19165 1 
      144 . 1 1 15 15 SER H    H  1   8.3838  0.03 . 1 . . . . 15 SER HN   . 19165 1 
      145 . 1 1 15 15 SER HA   H  1   4.7898  0.03 . 1 . . . . 15 SER HA   . 19165 1 
      146 . 1 1 15 15 SER HB2  H  1   4.1588  0.03 . 2 . . . . 15 SER HB2  . 19165 1 
      147 . 1 1 15 15 SER HB3  H  1   4.1206  0.03 . 2 . . . . 15 SER HB3  . 19165 1 
      148 . 1 1 15 15 SER C    C 13 174.6575  0.3  . 1 . . . . 15 SER C    . 19165 1 
      149 . 1 1 15 15 SER CA   C 13  58.4316  0.3  . 1 . . . . 15 SER CA   . 19165 1 
      150 . 1 1 15 15 SER CB   C 13  64.8447  0.3  . 1 . . . . 15 SER CB   . 19165 1 
      151 . 1 1 15 15 SER N    N 15 113.7837  0.2  . 1 . . . . 15 SER N    . 19165 1 
      152 . 1 1 16 16 TRP H    H  1   8.2139  0.03 . 1 . . . . 16 TRP HN   . 19165 1 
      153 . 1 1 16 16 TRP HA   H  1   5.1051  0.03 . 1 . . . . 16 TRP HA   . 19165 1 
      154 . 1 1 16 16 TRP HB2  H  1   3.7517  0.03 . 2 . . . . 16 TRP HB2  . 19165 1 
      155 . 1 1 16 16 TRP HB3  H  1   3.5310  0.03 . 2 . . . . 16 TRP HB3  . 19165 1 
      156 . 1 1 16 16 TRP HD1  H  1   6.7740  0.03 . 1 . . . . 16 TRP HD1  . 19165 1 
      157 . 1 1 16 16 TRP HE1  H  1   9.4493  0.03 . 1 . . . . 16 TRP HE1  . 19165 1 
      158 . 1 1 16 16 TRP HE3  H  1   6.6907  0.03 . 1 . . . . 16 TRP HE3  . 19165 1 
      159 . 1 1 16 16 TRP HZ2  H  1   7.6491  0.03 . 1 . . . . 16 TRP HZ2  . 19165 1 
      160 . 1 1 16 16 TRP HZ3  H  1   6.5756  0.03 . 1 . . . . 16 TRP HZ3  . 19165 1 
      161 . 1 1 16 16 TRP HH2  H  1   6.9315  0.03 . 1 . . . . 16 TRP HH2  . 19165 1 
      162 . 1 1 16 16 TRP C    C 13 179.3377  0.3  . 1 . . . . 16 TRP C    . 19165 1 
      163 . 1 1 16 16 TRP CA   C 13  57.0292  0.3  . 1 . . . . 16 TRP CA   . 19165 1 
      164 . 1 1 16 16 TRP CB   C 13  30.3454  0.3  . 1 . . . . 16 TRP CB   . 19165 1 
      165 . 1 1 16 16 TRP CD1  C 13 124.7473  0.3  . 1 . . . . 16 TRP CD1  . 19165 1 
      166 . 1 1 16 16 TRP CE3  C 13 119.3391  0.3  . 1 . . . . 16 TRP CE3  . 19165 1 
      167 . 1 1 16 16 TRP CZ2  C 13 115.0443  0.3  . 1 . . . . 16 TRP CZ2  . 19165 1 
      168 . 1 1 16 16 TRP CZ3  C 13 120.2529  0.3  . 1 . . . . 16 TRP CZ3  . 19165 1 
      169 . 1 1 16 16 TRP CH2  C 13 124.3109  0.3  . 1 . . . . 16 TRP CH2  . 19165 1 
      170 . 1 1 16 16 TRP N    N 15 123.4622  0.2  . 1 . . . . 16 TRP N    . 19165 1 
      171 . 1 1 16 16 TRP NE1  N 15 125.9397  0.2  . 1 . . . . 16 TRP NE1  . 19165 1 
      172 . 1 1 17 17 THR H    H  1  10.0308  0.03 . 1 . . . . 17 THR HN   . 19165 1 
      173 . 1 1 17 17 THR HA   H  1   5.2985  0.03 . 1 . . . . 17 THR HA   . 19165 1 
      174 . 1 1 17 17 THR HB   H  1   4.8671  0.03 . 1 . . . . 17 THR HB   . 19165 1 
      175 . 1 1 17 17 THR HG21 H  1   1.3995  0.03 . 1 . . . . 17 THR HG21 . 19165 1 
      176 . 1 1 17 17 THR HG22 H  1   1.3995  0.03 . 1 . . . . 17 THR HG21 . 19165 1 
      177 . 1 1 17 17 THR HG23 H  1   1.3995  0.03 . 1 . . . . 17 THR HG21 . 19165 1 
      178 . 1 1 17 17 THR C    C 13 177.8669  0.3  . 1 . . . . 17 THR C    . 19165 1 
      179 . 1 1 17 17 THR CA   C 13  60.3591  0.3  . 1 . . . . 17 THR CA   . 19165 1 
      180 . 1 1 17 17 THR CB   C 13  72.5702  0.3  . 1 . . . . 17 THR CB   . 19165 1 
      181 . 1 1 17 17 THR CG2  C 13  22.1196  0.3  . 1 . . . . 17 THR CG2  . 19165 1 
      182 . 1 1 17 17 THR N    N 15 114.7217  0.2  . 1 . . . . 17 THR N    . 19165 1 
      183 . 1 1 18 18 CYS H    H  1   9.4025  0.03 . 1 . . . . 18 CYS HN   . 19165 1 
      184 . 1 1 18 18 CYS HA   H  1   4.5956  0.03 . 1 . . . . 18 CYS HA   . 19165 1 
      185 . 1 1 18 18 CYS HB2  H  1   3.3530  0.03 . 2 . . . . 18 CYS HB2  . 19165 1 
      186 . 1 1 18 18 CYS HB3  H  1   3.0906  0.03 . 2 . . . . 18 CYS HB3  . 19165 1 
      187 . 1 1 18 18 CYS C    C 13 176.1244  0.3  . 1 . . . . 18 CYS C    . 19165 1 
      188 . 1 1 18 18 CYS CA   C 13  59.6614  0.3  . 1 . . . . 18 CYS CA   . 19165 1 
      189 . 1 1 18 18 CYS CB   C 13  33.4457  0.3  . 1 . . . . 18 CYS CB   . 19165 1 
      190 . 1 1 18 18 CYS N    N 15 121.7052  0.2  . 1 . . . . 18 CYS N    . 19165 1 
      191 . 1 1 19 19 GLU H    H  1   8.6092  0.03 . 1 . . . . 19 GLU HN   . 19165 1 
      192 . 1 1 19 19 GLU HA   H  1   3.8126  0.03 . 1 . . . . 19 GLU HA   . 19165 1 
      193 . 1 1 19 19 GLU HB3  H  1   1.9770  0.03 . 2 . . . . 19 GLU HB3  . 19165 1 
      194 . 1 1 19 19 GLU HG2  H  1   2.1760  0.03 . 2 . . . . 19 GLU HG1  . 19165 1 
      195 . 1 1 19 19 GLU C    C 13 178.0836  0.3  . 1 . . . . 19 GLU C    . 19165 1 
      196 . 1 1 19 19 GLU CA   C 13  60.2714  0.3  . 1 . . . . 19 GLU CA   . 19165 1 
      197 . 1 1 19 19 GLU CB   C 13  30.0468  0.3  . 1 . . . . 19 GLU CB   . 19165 1 
      198 . 1 1 19 19 GLU CG   C 13  36.5224  0.3  . 1 . . . . 19 GLU CG   . 19165 1 
      199 . 1 1 19 19 GLU N    N 15 121.3797  0.2  . 1 . . . . 19 GLU N    . 19165 1 
      200 . 1 1 20 20 ASP H    H  1   7.4422  0.03 . 1 . . . . 20 ASP HN   . 19165 1 
      201 . 1 1 20 20 ASP HA   H  1   3.9149  0.03 . 1 . . . . 20 ASP HA   . 19165 1 
      202 . 1 1 20 20 ASP HB2  H  1   1.2192  0.03 . 2 . . . . 20 ASP HB2  . 19165 1 
      203 . 1 1 20 20 ASP HB3  H  1   2.7063  0.03 . 2 . . . . 20 ASP HB3  . 19165 1 
      204 . 1 1 20 20 ASP C    C 13 178.1742  0.3  . 1 . . . . 20 ASP C    . 19165 1 
      205 . 1 1 20 20 ASP CA   C 13  57.6969  0.3  . 1 . . . . 20 ASP CA   . 19165 1 
      206 . 1 1 20 20 ASP CB   C 13  40.1820  0.3  . 1 . . . . 20 ASP CB   . 19165 1 
      207 . 1 1 20 20 ASP N    N 15 118.9529  0.2  . 1 . . . . 20 ASP N    . 19165 1 
      208 . 1 1 21 21 PHE H    H  1   7.2933  0.03 . 1 . . . . 21 PHE HN   . 19165 1 
      209 . 1 1 21 21 PHE HA   H  1   4.0378  0.03 . 1 . . . . 21 PHE HA   . 19165 1 
      210 . 1 1 21 21 PHE HB2  H  1   3.0663  0.03 . 2 . . . . 21 PHE HB2  . 19165 1 
      211 . 1 1 21 21 PHE HB3  H  1   2.2916  0.03 . 2 . . . . 21 PHE HB3  . 19165 1 
      212 . 1 1 21 21 PHE HD1  H  1   6.8896  0.03 . 3 . . . . 21 PHE HD1  . 19165 1 
      213 . 1 1 21 21 PHE C    C 13 176.6078  0.3  . 1 . . . . 21 PHE C    . 19165 1 
      214 . 1 1 21 21 PHE CA   C 13  59.3727  0.3  . 1 . . . . 21 PHE CA   . 19165 1 
      215 . 1 1 21 21 PHE CB   C 13  39.1307  0.3  . 1 . . . . 21 PHE CB   . 19165 1 
      216 . 1 1 21 21 PHE CD1  C 13 132.7594  0.3  . 3 . . . . 21 PHE CD1  . 19165 1 
      217 . 1 1 21 21 PHE N    N 15 118.8998  0.2  . 1 . . . . 21 PHE N    . 19165 1 
      218 . 1 1 22 22 LEU H    H  1   8.1153  0.03 . 1 . . . . 22 LEU HN   . 19165 1 
      219 . 1 1 22 22 LEU HA   H  1   3.5096  0.03 . 1 . . . . 22 LEU HA   . 19165 1 
      220 . 1 1 22 22 LEU HB2  H  1   1.7290  0.03 . 2 . . . . 22 LEU HB2  . 19165 1 
      221 . 1 1 22 22 LEU HB3  H  1   1.4170  0.03 . 2 . . . . 22 LEU HB3  . 19165 1 
      222 . 1 1 22 22 LEU HG   H  1   1.9202  0.03 . 1 . . . . 22 LEU HG   . 19165 1 
      223 . 1 1 22 22 LEU HD11 H  1   0.8776  0.03 . 2 . . . . 22 LEU HD11 . 19165 1 
      224 . 1 1 22 22 LEU HD12 H  1   0.8776  0.03 . 2 . . . . 22 LEU HD11 . 19165 1 
      225 . 1 1 22 22 LEU HD13 H  1   0.8776  0.03 . 2 . . . . 22 LEU HD11 . 19165 1 
      226 . 1 1 22 22 LEU HD21 H  1   0.7812  0.03 . 2 . . . . 22 LEU HD21 . 19165 1 
      227 . 1 1 22 22 LEU HD22 H  1   0.7812  0.03 . 2 . . . . 22 LEU HD21 . 19165 1 
      228 . 1 1 22 22 LEU HD23 H  1   0.7812  0.03 . 2 . . . . 22 LEU HD21 . 19165 1 
      229 . 1 1 22 22 LEU C    C 13 176.6495  0.3  . 1 . . . . 22 LEU C    . 19165 1 
      230 . 1 1 22 22 LEU CA   C 13  56.0581  0.3  . 1 . . . . 22 LEU CA   . 19165 1 
      231 . 1 1 22 22 LEU CB   C 13  41.0641  0.3  . 1 . . . . 22 LEU CB   . 19165 1 
      232 . 1 1 22 22 LEU CG   C 13  26.6317  0.3  . 1 . . . . 22 LEU CG   . 19165 1 
      233 . 1 1 22 22 LEU CD1  C 13  22.0709  0.3  . 2 . . . . 22 LEU CD1  . 19165 1 
      234 . 1 1 22 22 LEU CD2  C 13  25.6616  0.3  . 2 . . . . 22 LEU CD2  . 19165 1 
      235 . 1 1 22 22 LEU N    N 15 117.2879  0.2  . 1 . . . . 22 LEU N    . 19165 1 
      236 . 1 1 23 23 ALA H    H  1   6.9173  0.03 . 1 . . . . 23 ALA HN   . 19165 1 
      237 . 1 1 23 23 ALA HA   H  1   4.1311  0.03 . 1 . . . . 23 ALA HA   . 19165 1 
      238 . 1 1 23 23 ALA HB1  H  1   1.2972  0.03 . 1 . . . . 23 ALA HB3  . 19165 1 
      239 . 1 1 23 23 ALA HB2  H  1   1.2972  0.03 . 1 . . . . 23 ALA HB3  . 19165 1 
      240 . 1 1 23 23 ALA HB3  H  1   1.2972  0.03 . 1 . . . . 23 ALA HB3  . 19165 1 
      241 . 1 1 23 23 ALA C    C 13 178.1522  0.3  . 1 . . . . 23 ALA C    . 19165 1 
      242 . 1 1 23 23 ALA CA   C 13  52.1093  0.3  . 1 . . . . 23 ALA CA   . 19165 1 
      243 . 1 1 23 23 ALA CB   C 13  18.7603  0.3  . 1 . . . . 23 ALA CB   . 19165 1 
      244 . 1 1 23 23 ALA N    N 15 118.5361  0.2  . 1 . . . . 23 ALA N    . 19165 1 
      245 . 1 1 24 24 VAL H    H  1   7.2358  0.03 . 1 . . . . 24 VAL HN   . 19165 1 
      246 . 1 1 24 24 VAL HA   H  1   3.6326  0.03 . 1 . . . . 24 VAL HA   . 19165 1 
      247 . 1 1 24 24 VAL HB   H  1   2.0737  0.03 . 1 . . . . 24 VAL HB   . 19165 1 
      248 . 1 1 24 24 VAL HG11 H  1   1.0190  0.03 . 2 . . . . 24 VAL HG11 . 19165 1 
      249 . 1 1 24 24 VAL HG12 H  1   1.0190  0.03 . 2 . . . . 24 VAL HG11 . 19165 1 
      250 . 1 1 24 24 VAL HG13 H  1   1.0190  0.03 . 2 . . . . 24 VAL HG11 . 19165 1 
      251 . 1 1 24 24 VAL HG21 H  1   1.0544  0.03 . 2 . . . . 24 VAL HG21 . 19165 1 
      252 . 1 1 24 24 VAL HG22 H  1   1.0544  0.03 . 2 . . . . 24 VAL HG21 . 19165 1 
      253 . 1 1 24 24 VAL HG23 H  1   1.0544  0.03 . 2 . . . . 24 VAL HG21 . 19165 1 
      254 . 1 1 24 24 VAL C    C 13 175.4094  0.3  . 1 . . . . 24 VAL C    . 19165 1 
      255 . 1 1 24 24 VAL CA   C 13  62.7093  0.3  . 1 . . . . 24 VAL CA   . 19165 1 
      256 . 1 1 24 24 VAL CB   C 13  31.8575  0.3  . 1 . . . . 24 VAL CB   . 19165 1 
      257 . 1 1 24 24 VAL CG1  C 13  23.4846  0.3  . 2 . . . . 24 VAL CG1  . 19165 1 
      258 . 1 1 24 24 VAL CG2  C 13  21.5424  0.3  . 2 . . . . 24 VAL CG2  . 19165 1 
      259 . 1 1 24 24 VAL N    N 15 121.9283  0.2  . 1 . . . . 24 VAL N    . 19165 1 
      260 . 1 1 25 25 ASP H    H  1   8.5449  0.03 . 1 . . . . 25 ASP HN   . 19165 1 
      261 . 1 1 25 25 ASP HA   H  1   4.2595  0.03 . 1 . . . . 25 ASP HA   . 19165 1 
      262 . 1 1 25 25 ASP HB2  H  1   2.7111  0.03 . 2 . . . . 25 ASP HB2  . 19165 1 
      263 . 1 1 25 25 ASP HB3  H  1   2.6871  0.03 . 2 . . . . 25 ASP HB3  . 19165 1 
      264 . 1 1 25 25 ASP C    C 13 178.0251  0.3  . 1 . . . . 25 ASP C    . 19165 1 
      265 . 1 1 25 25 ASP CA   C 13  55.6070  0.3  . 1 . . . . 25 ASP CA   . 19165 1 
      266 . 1 1 25 25 ASP CB   C 13  42.7643  0.3  . 1 . . . . 25 ASP CB   . 19165 1 
      267 . 1 1 25 25 ASP N    N 15 126.2359  0.2  . 1 . . . . 25 ASP N    . 19165 1 
      268 . 1 1 26 26 GLU H    H  1   8.8786  0.03 . 1 . . . . 26 GLU HN   . 19165 1 
      269 . 1 1 26 26 GLU HA   H  1   3.7460  0.03 . 1 . . . . 26 GLU HA   . 19165 1 
      270 . 1 1 26 26 GLU HB3  H  1   2.2986  0.03 . 2 . . . . 26 GLU HB3  . 19165 1 
      271 . 1 1 26 26 GLU HG2  H  1   2.0368  0.03 . 2 . . . . 26 GLU HG1  . 19165 1 
      272 . 1 1 26 26 GLU C    C 13 179.1779  0.3  . 1 . . . . 26 GLU C    . 19165 1 
      273 . 1 1 26 26 GLU CA   C 13  60.4979  0.3  . 1 . . . . 26 GLU CA   . 19165 1 
      274 . 1 1 26 26 GLU CB   C 13  29.5899  0.3  . 1 . . . . 26 GLU CB   . 19165 1 
      275 . 1 1 26 26 GLU CG   C 13  36.1462  0.3  . 1 . . . . 26 GLU CG   . 19165 1 
      276 . 1 1 26 26 GLU N    N 15 125.7629  0.2  . 1 . . . . 26 GLU N    . 19165 1 
      277 . 1 1 27 27 SER H    H  1   8.6813  0.03 . 1 . . . . 27 SER HN   . 19165 1 
      278 . 1 1 27 27 SER HA   H  1   4.1263  0.03 . 1 . . . . 27 SER HA   . 19165 1 
      279 . 1 1 27 27 SER HB3  H  1   3.6848  0.03 . 2 . . . . 27 SER HB3  . 19165 1 
      280 . 1 1 27 27 SER C    C 13 175.6534  0.3  . 1 . . . . 27 SER C    . 19165 1 
      281 . 1 1 27 27 SER CA   C 13  61.2253  0.3  . 1 . . . . 27 SER CA   . 19165 1 
      282 . 1 1 27 27 SER CB   C 13  62.8358  0.3  . 1 . . . . 27 SER CB   . 19165 1 
      283 . 1 1 27 27 SER N    N 15 113.4195  0.2  . 1 . . . . 27 SER N    . 19165 1 
      284 . 1 1 28 28 PHE H    H  1   8.3344  0.03 . 1 . . . . 28 PHE HN   . 19165 1 
      285 . 1 1 28 28 PHE HA   H  1   4.7931  0.03 . 1 . . . . 28 PHE HA   . 19165 1 
      286 . 1 1 28 28 PHE HB2  H  1   3.3438  0.03 . 2 . . . . 28 PHE HB2  . 19165 1 
      287 . 1 1 28 28 PHE HB3  H  1   2.7826  0.03 . 2 . . . . 28 PHE HB3  . 19165 1 
      288 . 1 1 28 28 PHE HD1  H  1   7.1982  0.03 . 3 . . . . 28 PHE HD1  . 19165 1 
      289 . 1 1 28 28 PHE HD2  H  1   7.1982  0.03 . 3 . . . . 28 PHE HD2  . 19165 1 
      290 . 1 1 28 28 PHE HE1  H  1   7.2825  0.03 . 3 . . . . 28 PHE HE1  . 19165 1 
      291 . 1 1 28 28 PHE HE2  H  1   7.2825  0.03 . 3 . . . . 28 PHE HE2  . 19165 1 
      292 . 1 1 28 28 PHE C    C 13 176.1620  0.3  . 1 . . . . 28 PHE C    . 19165 1 
      293 . 1 1 28 28 PHE CA   C 13  58.2872  0.3  . 1 . . . . 28 PHE CA   . 19165 1 
      294 . 1 1 28 28 PHE CB   C 13  41.1731  0.3  . 1 . . . . 28 PHE CB   . 19165 1 
      295 . 1 1 28 28 PHE CD1  C 13 131.4469  0.3  . 3 . . . . 28 PHE CD1  . 19165 1 
      296 . 1 1 28 28 PHE CD2  C 13 131.4469  0.3  . 3 . . . . 28 PHE CD2  . 19165 1 
      297 . 1 1 28 28 PHE CE1  C 13 131.1624  0.3  . 3 . . . . 28 PHE CE1  . 19165 1 
      298 . 1 1 28 28 PHE CE2  C 13 131.1624  0.3  . 3 . . . . 28 PHE CE2  . 19165 1 
      299 . 1 1 28 28 PHE N    N 15 118.6923  0.2  . 1 . . . . 28 PHE N    . 19165 1 
      300 . 1 1 29 29 GLN H    H  1   7.7835  0.03 . 1 . . . . 29 GLN HN   . 19165 1 
      301 . 1 1 29 29 GLN HA   H  1   3.8261  0.03 . 1 . . . . 29 GLN HA   . 19165 1 
      302 . 1 1 29 29 GLN HB2  H  1   2.47413 0.03 . 2 . . . . 29 GLN HB2  . 19165 1 
      303 . 1 1 29 29 GLN HB3  H  1   1.8280  0.03 . 2 . . . . 29 GLN HB3  . 19165 1 
      304 . 1 1 29 29 GLN HG2  H  1   2.7638  0.03 . 2 . . . . 29 GLN HG2  . 19165 1 
      305 . 1 1 29 29 GLN HE21 H  1   6.2402  0.03 . 2 . . . . 29 GLN HE21 . 19165 1 
      306 . 1 1 29 29 GLN HE22 H  1   6.5246  0.03 . 2 . . . . 29 GLN HE22 . 19165 1 
      307 . 1 1 29 29 GLN CA   C 13  62.0686  0.3  . 1 . . . . 29 GLN CA   . 19165 1 
      308 . 1 1 29 29 GLN CB   C 13  25.5334  0.3  . 1 . . . . 29 GLN CB   . 19165 1 
      309 . 1 1 29 29 GLN CD   C 13 177.3385  0.3  . 1 . . . . 29 GLN CD   . 19165 1 
      310 . 1 1 29 29 GLN N    N 15 122.9934  0.2  . 1 . . . . 29 GLN N    . 19165 1 
      311 . 1 1 29 29 GLN NE2  N 15 107.5337  0.2  . 1 . . . . 29 GLN NE2  . 19165 1 
      312 . 1 1 30 30 PRO HA   H  1   4.7207  0.03 . 1 . . . . 30 PRO HA   . 19165 1 
      313 . 1 1 30 30 PRO HB2  H  1   2.3575  0.03 . 2 . . . . 30 PRO HB2  . 19165 1 
      314 . 1 1 30 30 PRO HB3  H  1   1.9700  0.03 . 2 . . . . 30 PRO HB3  . 19165 1 
      315 . 1 1 30 30 PRO HG2  H  1   2.1792  0.03 . 2 . . . . 30 PRO HG1  . 19165 1 
      316 . 1 1 30 30 PRO HD2  H  1   3.9129  0.03 . 2 . . . . 30 PRO HD2  . 19165 1 
      317 . 1 1 30 30 PRO HD3  H  1   3.8723  0.03 . 2 . . . . 30 PRO HD3  . 19165 1 
      318 . 1 1 30 30 PRO C    C 13 178.2555  0.3  . 1 . . . . 30 PRO C    . 19165 1 
      319 . 1 1 30 30 PRO CA   C 13  65.9303  0.3  . 1 . . . . 30 PRO CA   . 19165 1 
      320 . 1 1 30 30 PRO CB   C 13  30.9038  0.3  . 1 . . . . 30 PRO CB   . 19165 1 
      321 . 1 1 30 30 PRO CG   C 13  28.4780  0.3  . 1 . . . . 30 PRO CG   . 19165 1 
      322 . 1 1 30 30 PRO CD   C 13  50.6064  0.3  . 1 . . . . 30 PRO CD   . 19165 1 
      323 . 1 1 31 31 THR H    H  1   6.9927  0.03 . 1 . . . . 31 THR HN   . 19165 1 
      324 . 1 1 31 31 THR HA   H  1   4.1892  0.03 . 1 . . . . 31 THR HA   . 19165 1 
      325 . 1 1 31 31 THR HB   H  1   4.5075  0.03 . 1 . . . . 31 THR HB   . 19165 1 
      326 . 1 1 31 31 THR HG21 H  1   1.3912  0.03 . 1 . . . . 31 THR HG21 . 19165 1 
      327 . 1 1 31 31 THR HG22 H  1   1.3912  0.03 . 1 . . . . 31 THR HG21 . 19165 1 
      328 . 1 1 31 31 THR HG23 H  1   1.3912  0.03 . 1 . . . . 31 THR HG21 . 19165 1 
      329 . 1 1 31 31 THR C    C 13 176.1783  0.3  . 1 . . . . 31 THR C    . 19165 1 
      330 . 1 1 31 31 THR CA   C 13  67.1012  0.3  . 1 . . . . 31 THR CA   . 19165 1 
      331 . 1 1 31 31 THR CB   C 13  67.7962  0.3  . 1 . . . . 31 THR CB   . 19165 1 
      332 . 1 1 31 31 THR CG2  C 13  23.1313  0.3  . 1 . . . . 31 THR CG2  . 19165 1 
      333 . 1 1 31 31 THR N    N 15 113.1944  0.2  . 1 . . . . 31 THR N    . 19165 1 
      334 . 1 1 32 32 ALA H    H  1   8.3590  0.03 . 1 . . . . 32 ALA HN   . 19165 1 
      335 . 1 1 32 32 ALA HA   H  1   4.2162  0.03 . 1 . . . . 32 ALA HA   . 19165 1 
      336 . 1 1 32 32 ALA HB1  H  1   1.8803  0.03 . 1 . . . . 32 ALA HB3  . 19165 1 
      337 . 1 1 32 32 ALA HB2  H  1   1.8803  0.03 . 1 . . . . 32 ALA HB3  . 19165 1 
      338 . 1 1 32 32 ALA HB3  H  1   1.8803  0.03 . 1 . . . . 32 ALA HB3  . 19165 1 
      339 . 1 1 32 32 ALA C    C 13 178.5158  0.3  . 1 . . . . 32 ALA C    . 19165 1 
      340 . 1 1 32 32 ALA CA   C 13  55.7214  0.3  . 1 . . . . 32 ALA CA   . 19165 1 
      341 . 1 1 32 32 ALA CB   C 13  18.0929  0.3  . 1 . . . . 32 ALA CB   . 19165 1 
      342 . 1 1 32 32 ALA N    N 15 124.7112  0.2  . 1 . . . . 32 ALA N    . 19165 1 
      343 . 1 1 33 33 VAL H    H  1   8.1286  0.03 . 1 . . . . 33 VAL HN   . 19165 1 
      344 . 1 1 33 33 VAL HA   H  1   3.6227  0.03 . 1 . . . . 33 VAL HA   . 19165 1 
      345 . 1 1 33 33 VAL HB   H  1   2.4789  0.03 . 1 . . . . 33 VAL HB   . 19165 1 
      346 . 1 1 33 33 VAL HG11 H  1   1.3224  0.03 . 2 . . . . 33 VAL HG11 . 19165 1 
      347 . 1 1 33 33 VAL HG12 H  1   1.3224  0.03 . 2 . . . . 33 VAL HG11 . 19165 1 
      348 . 1 1 33 33 VAL HG13 H  1   1.3224  0.03 . 2 . . . . 33 VAL HG11 . 19165 1 
      349 . 1 1 33 33 VAL HG21 H  1   0.9566  0.03 . 2 . . . . 33 VAL HG21 . 19165 1 
      350 . 1 1 33 33 VAL HG22 H  1   0.9566  0.03 . 2 . . . . 33 VAL HG21 . 19165 1 
      351 . 1 1 33 33 VAL HG23 H  1   0.9566  0.03 . 2 . . . . 33 VAL HG21 . 19165 1 
      352 . 1 1 33 33 VAL C    C 13 177.9266  0.3  . 1 . . . . 33 VAL C    . 19165 1 
      353 . 1 1 33 33 VAL CA   C 13  67.4936  0.3  . 1 . . . . 33 VAL CA   . 19165 1 
      354 . 1 1 33 33 VAL CB   C 13  31.8646  0.3  . 1 . . . . 33 VAL CB   . 19165 1 
      355 . 1 1 33 33 VAL CG1  C 13  21.3995  0.3  . 2 . . . . 33 VAL CG1  . 19165 1 
      356 . 1 1 33 33 VAL CG2  C 13  24.3502  0.3  . 2 . . . . 33 VAL CG2  . 19165 1 
      357 . 1 1 33 33 VAL N    N 15 118.2627  0.2  . 1 . . . . 33 VAL N    . 19165 1 
      358 . 1 1 34 34 GLY H    H  1   8.9569  0.03 . 1 . . . . 34 GLY HN   . 19165 1 
      359 . 1 1 34 34 GLY HA2  H  1   3.8244  0.03 . 2 . . . . 34 GLY HA2  . 19165 1 
      360 . 1 1 34 34 GLY HA3  H  1   3.8244  0.03 . 2 . . . . 34 GLY HA3  . 19165 1 
      361 . 1 1 34 34 GLY C    C 13 174.5207  0.3  . 1 . . . . 34 GLY C    . 19165 1 
      362 . 1 1 34 34 GLY CA   C 13  47.4360  0.3  . 1 . . . . 34 GLY CA   . 19165 1 
      363 . 1 1 34 34 GLY N    N 15 105.2631  0.2  . 1 . . . . 34 GLY N    . 19165 1 
      364 . 1 1 35 35 PHE H    H  1   8.5480  0.03 . 1 . . . . 35 PHE HN   . 19165 1 
      365 . 1 1 35 35 PHE HA   H  1   3.6869  0.03 . 1 . . . . 35 PHE HA   . 19165 1 
      366 . 1 1 35 35 PHE HB2  H  1   3.2471  0.03 . 2 . . . . 35 PHE HB2  . 19165 1 
      367 . 1 1 35 35 PHE HB3  H  1   3.0012  0.03 . 2 . . . . 35 PHE HB3  . 19165 1 
      368 . 1 1 35 35 PHE HD1  H  1   6.8448  0.03 . 3 . . . . 35 PHE HD1  . 19165 1 
      369 . 1 1 35 35 PHE HE1  H  1   7.0162  0.03 . 3 . . . . 35 PHE HE1  . 19165 1 
      370 . 1 1 35 35 PHE HZ   H  1   6.9355  0.03 . 1 . . . . 35 PHE HZ   . 19165 1 
      371 . 1 1 35 35 PHE C    C 13 176.2776  0.3  . 1 . . . . 35 PHE C    . 19165 1 
      372 . 1 1 35 35 PHE CA   C 13  61.2959  0.3  . 1 . . . . 35 PHE CA   . 19165 1 
      373 . 1 1 35 35 PHE CB   C 13  40.7848  0.3  . 1 . . . . 35 PHE CB   . 19165 1 
      374 . 1 1 35 35 PHE CD1  C 13 132.5519  0.3  . 3 . . . . 35 PHE CD1  . 19165 1 
      375 . 1 1 35 35 PHE CE1  C 13 131.1246  0.3  . 3 . . . . 35 PHE CE1  . 19165 1 
      376 . 1 1 35 35 PHE CZ   C 13 129.6381  0.3  . 1 . . . . 35 PHE CZ   . 19165 1 
      377 . 1 1 35 35 PHE N    N 15 122.6202  0.2  . 1 . . . . 35 PHE N    . 19165 1 
      378 . 1 1 36 36 ALA H    H  1   8.1130  0.03 . 1 . . . . 36 ALA HN   . 19165 1 
      379 . 1 1 36 36 ALA HA   H  1   3.7048  0.03 . 1 . . . . 36 ALA HA   . 19165 1 
      380 . 1 1 36 36 ALA HB1  H  1   1.2947  0.03 . 1 . . . . 36 ALA HB3  . 19165 1 
      381 . 1 1 36 36 ALA HB2  H  1   1.2947  0.03 . 1 . . . . 36 ALA HB3  . 19165 1 
      382 . 1 1 36 36 ALA HB3  H  1   1.2947  0.03 . 1 . . . . 36 ALA HB3  . 19165 1 
      383 . 1 1 36 36 ALA C    C 13 179.2391  0.3  . 1 . . . . 36 ALA C    . 19165 1 
      384 . 1 1 36 36 ALA CA   C 13  55.3344  0.3  . 1 . . . . 36 ALA CA   . 19165 1 
      385 . 1 1 36 36 ALA CB   C 13  17.9353  0.3  . 1 . . . . 36 ALA CB   . 19165 1 
      386 . 1 1 36 36 ALA N    N 15 118.3871  0.2  . 1 . . . . 36 ALA N    . 19165 1 
      387 . 1 1 37 37 GLU H    H  1   8.0928  0.03 . 1 . . . . 37 GLU HN   . 19165 1 
      388 . 1 1 37 37 GLU CA   C 13  58.7823  0.3  . 1 . . . . 37 GLU CA   . 19165 1 
      389 . 1 1 37 37 GLU CB   C 13  28.2940  0.3  . 1 . . . . 37 GLU CB   . 19165 1 
      390 . 1 1 37 37 GLU N    N 15 117.5504  0.2  . 1 . . . . 37 GLU N    . 19165 1 
      391 . 1 1 38 38 ALA HA   H  1   3.2201  0.03 . 1 . . . . 38 ALA HA   . 19165 1 
      392 . 1 1 38 38 ALA HB1  H  1   0.4280  0.03 . 1 . . . . 38 ALA HB3  . 19165 1 
      393 . 1 1 38 38 ALA HB2  H  1   0.4280  0.03 . 1 . . . . 38 ALA HB3  . 19165 1 
      394 . 1 1 38 38 ALA HB3  H  1   0.4280  0.03 . 1 . . . . 38 ALA HB3  . 19165 1 
      395 . 1 1 38 38 ALA C    C 13 179.9270  0.3  . 1 . . . . 38 ALA C    . 19165 1 
      396 . 1 1 38 38 ALA CA   C 13  55.0549  0.3  . 1 . . . . 38 ALA CA   . 19165 1 
      397 . 1 1 38 38 ALA CB   C 13  18.0612  0.3  . 1 . . . . 38 ALA CB   . 19165 1 
      398 . 1 1 39 39 LEU H    H  1   7.5588  0.03 . 1 . . . . 39 LEU HN   . 19165 1 
      399 . 1 1 39 39 LEU HA   H  1   3.3974  0.03 . 1 . . . . 39 LEU HA   . 19165 1 
      400 . 1 1 39 39 LEU HB3  H  1   1.2563  0.03 . 2 . . . . 39 LEU HB3  . 19165 1 
      401 . 1 1 39 39 LEU HG   H  1   1.5146  0.03 . 1 . . . . 39 LEU HG   . 19165 1 
      402 . 1 1 39 39 LEU HD11 H  1   0.5108  0.03 . 2 . . . . 39 LEU HD11 . 19165 1 
      403 . 1 1 39 39 LEU HD12 H  1   0.5108  0.03 . 2 . . . . 39 LEU HD11 . 19165 1 
      404 . 1 1 39 39 LEU HD13 H  1   0.5108  0.03 . 2 . . . . 39 LEU HD11 . 19165 1 
      405 . 1 1 39 39 LEU HD21 H  1   0.6568  0.03 . 2 . . . . 39 LEU HD21 . 19165 1 
      406 . 1 1 39 39 LEU HD22 H  1   0.6568  0.03 . 2 . . . . 39 LEU HD21 . 19165 1 
      407 . 1 1 39 39 LEU HD23 H  1   0.6568  0.03 . 2 . . . . 39 LEU HD21 . 19165 1 
      408 . 1 1 39 39 LEU CA   C 13  57.0316  0.3  . 1 . . . . 39 LEU CA   . 19165 1 
      409 . 1 1 39 39 LEU CB   C 13  42.3438  0.3  . 1 . . . . 39 LEU CB   . 19165 1 
      410 . 1 1 39 39 LEU CG   C 13  24.9020  0.3  . 1 . . . . 39 LEU CG   . 19165 1 
      411 . 1 1 39 39 LEU CD1  C 13  23.9109  0.3  . 2 . . . . 39 LEU CD1  . 19165 1 
      412 . 1 1 39 39 LEU CD2  C 13  25.1402  0.3  . 2 . . . . 39 LEU CD2  . 19165 1 
      413 . 1 1 39 39 LEU N    N 15 113.8449  0.2  . 1 . . . . 39 LEU N    . 19165 1 
      414 . 1 1 40 40 ASN HA   H  1   4.5531  0.03 . 1 . . . . 40 ASN HA   . 19165 1 
      415 . 1 1 40 40 ASN HB3  H  1   2.6866  0.03 . 2 . . . . 40 ASN HB3  . 19165 1 
      416 . 1 1 40 40 ASN HD21 H  1   6.8327  0.03 . 2 . . . . 40 ASN HD21 . 19165 1 
      417 . 1 1 40 40 ASN HD22 H  1   7.6120  0.03 . 2 . . . . 40 ASN HD22 . 19165 1 
      418 . 1 1 40 40 ASN C    C 13 175.3115  0.3  . 1 . . . . 40 ASN C    . 19165 1 
      419 . 1 1 40 40 ASN CA   C 13  53.8190  0.3  . 1 . . . . 40 ASN CA   . 19165 1 
      420 . 1 1 40 40 ASN CB   C 13  40.0160  0.3  . 1 . . . . 40 ASN CB   . 19165 1 
      421 . 1 1 40 40 ASN CG   C 13 176.9164  0.3  . 1 . . . . 40 ASN CG   . 19165 1 
      422 . 1 1 40 40 ASN ND2  N 15 114.6377  0.2  . 1 . . . . 40 ASN ND2  . 19165 1 
      423 . 1 1 41 41 ASN H    H  1   7.4218  0.03 . 1 . . . . 41 ASN HN   . 19165 1 
      424 . 1 1 41 41 ASN HA   H  1   4.7061  0.03 . 1 . . . . 41 ASN HA   . 19165 1 
      425 . 1 1 41 41 ASN CA   C 13  53.2052  0.3  . 1 . . . . 41 ASN CA   . 19165 1 
      426 . 1 1 41 41 ASN CB   C 13  39.9483  0.3  . 1 . . . . 41 ASN CB   . 19165 1 
      427 . 1 1 41 41 ASN N    N 15 118.3502  0.2  . 1 . . . . 41 ASN N    . 19165 1 
      428 . 1 1 45 45 PRO HA   H  1   4.0753  0.03 . 1 . . . . 45 PRO HA   . 19165 1 
      429 . 1 1 45 45 PRO HB3  H  1   1.8870  0.03 . 2 . . . . 45 PRO HB3  . 19165 1 
      430 . 1 1 45 45 PRO HG2  H  1   2.1209  0.03 . 2 . . . . 45 PRO HG1  . 19165 1 
      431 . 1 1 45 45 PRO HD2  H  1   3.7098  0.03 . 2 . . . . 45 PRO HD2  . 19165 1 
      432 . 1 1 45 45 PRO HD3  H  1   3.6693  0.03 . 2 . . . . 45 PRO HD3  . 19165 1 
      433 . 1 1 45 45 PRO C    C 13 177.7253  0.3  . 1 . . . . 45 PRO C    . 19165 1 
      434 . 1 1 45 45 PRO CA   C 13  65.8480  0.3  . 1 . . . . 45 PRO CA   . 19165 1 
      435 . 1 1 45 45 PRO CB   C 13  31.8569  0.3  . 1 . . . . 45 PRO CB   . 19165 1 
      436 . 1 1 45 45 PRO CG   C 13  27.7347  0.3  . 1 . . . . 45 PRO CG   . 19165 1 
      437 . 1 1 45 45 PRO CD   C 13  50.2531  0.3  . 1 . . . . 45 PRO CD   . 19165 1 
      438 . 1 1 46 46 GLU H    H  1   9.3824  0.03 . 1 . . . . 46 GLU HN   . 19165 1 
      439 . 1 1 46 46 GLU HA   H  1   3.9791  0.03 . 1 . . . . 46 GLU HA   . 19165 1 
      440 . 1 1 46 46 GLU HB3  H  1   1.9468  0.03 . 2 . . . . 46 GLU HB3  . 19165 1 
      441 . 1 1 46 46 GLU HG2  H  1   2.2647  0.03 . 2 . . . . 46 GLU HG1  . 19165 1 
      442 . 1 1 46 46 GLU C    C 13 175.7862  0.3  . 1 . . . . 46 GLU C    . 19165 1 
      443 . 1 1 46 46 GLU CA   C 13  58.4083  0.3  . 1 . . . . 46 GLU CA   . 19165 1 
      444 . 1 1 46 46 GLU CB   C 13  28.5452  0.3  . 1 . . . . 46 GLU CB   . 19165 1 
      445 . 1 1 46 46 GLU CG   C 13  36.0270  0.3  . 1 . . . . 46 GLU CG   . 19165 1 
      446 . 1 1 46 46 GLU N    N 15 114.7326  0.2  . 1 . . . . 46 GLU N    . 19165 1 
      447 . 1 1 47 47 ASP H    H  1   7.3896  0.03 . 1 . . . . 47 ASP HN   . 19165 1 
      448 . 1 1 47 47 ASP HA   H  1   4.8288  0.03 . 1 . . . . 47 ASP HA   . 19165 1 
      449 . 1 1 47 47 ASP HB2  H  1   2.8152  0.03 . 2 . . . . 47 ASP HB2  . 19165 1 
      450 . 1 1 47 47 ASP HB3  H  1   2.4674  0.03 . 2 . . . . 47 ASP HB3  . 19165 1 
      451 . 1 1 47 47 ASP C    C 13 176.5783  0.3  . 1 . . . . 47 ASP C    . 19165 1 
      452 . 1 1 47 47 ASP CA   C 13  53.7398  0.3  . 1 . . . . 47 ASP CA   . 19165 1 
      453 . 1 1 47 47 ASP CB   C 13  42.9949  0.3  . 1 . . . . 47 ASP CB   . 19165 1 
      454 . 1 1 47 47 ASP N    N 15 116.2354  0.2  . 1 . . . . 47 ASP N    . 19165 1 
      455 . 1 1 48 48 ALA H    H  1   7.0030  0.03 . 1 . . . . 48 ALA HN   . 19165 1 
      456 . 1 1 48 48 ALA HA   H  1   4.1994  0.03 . 1 . . . . 48 ALA HA   . 19165 1 
      457 . 1 1 48 48 ALA HB1  H  1   1.4421  0.03 . 1 . . . . 48 ALA HB3  . 19165 1 
      458 . 1 1 48 48 ALA HB2  H  1   1.4421  0.03 . 1 . . . . 48 ALA HB3  . 19165 1 
      459 . 1 1 48 48 ALA HB3  H  1   1.4421  0.03 . 1 . . . . 48 ALA HB3  . 19165 1 
      460 . 1 1 48 48 ALA C    C 13 176.7007  0.3  . 1 . . . . 48 ALA C    . 19165 1 
      461 . 1 1 48 48 ALA CA   C 13  54.0561  0.3  . 1 . . . . 48 ALA CA   . 19165 1 
      462 . 1 1 48 48 ALA CB   C 13  20.5815  0.3  . 1 . . . . 48 ALA CB   . 19165 1 
      463 . 1 1 48 48 ALA N    N 15 122.5753  0.2  . 1 . . . . 48 ALA N    . 19165 1 
      464 . 1 1 49 49 VAL H    H  1   8.6790  0.03 . 1 . . . . 49 VAL HN   . 19165 1 
      465 . 1 1 49 49 VAL HA   H  1   4.0852  0.03 . 1 . . . . 49 VAL HA   . 19165 1 
      466 . 1 1 49 49 VAL HB   H  1   1.9815  0.03 . 1 . . . . 49 VAL HB   . 19165 1 
      467 . 1 1 49 49 VAL HG11 H  1   0.8340  0.03 . 2 . . . . 49 VAL HG11 . 19165 1 
      468 . 1 1 49 49 VAL HG12 H  1   0.8340  0.03 . 2 . . . . 49 VAL HG11 . 19165 1 
      469 . 1 1 49 49 VAL HG13 H  1   0.8340  0.03 . 2 . . . . 49 VAL HG11 . 19165 1 
      470 . 1 1 49 49 VAL HG21 H  1   1.4366  0.03 . 2 . . . . 49 VAL HG21 . 19165 1 
      471 . 1 1 49 49 VAL HG22 H  1   1.4366  0.03 . 2 . . . . 49 VAL HG21 . 19165 1 
      472 . 1 1 49 49 VAL HG23 H  1   1.4366  0.03 . 2 . . . . 49 VAL HG21 . 19165 1 
      473 . 1 1 49 49 VAL C    C 13 174.1066  0.3  . 1 . . . . 49 VAL C    . 19165 1 
      474 . 1 1 49 49 VAL CA   C 13  61.0526  0.3  . 1 . . . . 49 VAL CA   . 19165 1 
      475 . 1 1 49 49 VAL CB   C 13  34.7966  0.3  . 1 . . . . 49 VAL CB   . 19165 1 
      476 . 1 1 49 49 VAL CG1  C 13  20.8367  0.3  . 2 . . . . 49 VAL CG1  . 19165 1 
      477 . 1 1 49 49 VAL N    N 15 123.6189  0.2  . 1 . . . . 49 VAL N    . 19165 1 
      478 . 1 1 50 50 LEU H    H  1   8.6734  0.03 . 1 . . . . 50 LEU HN   . 19165 1 
      479 . 1 1 50 50 LEU HA   H  1   3.6745  0.03 . 1 . . . . 50 LEU HA   . 19165 1 
      480 . 1 1 50 50 LEU HB3  H  1   1.4446  0.03 . 2 . . . . 50 LEU HB3  . 19165 1 
      481 . 1 1 50 50 LEU HG   H  1   0.6606  0.03 . 1 . . . . 50 LEU HG   . 19165 1 
      482 . 1 1 50 50 LEU HD11 H  1   0.2903  0.03 . 2 . . . . 50 LEU HD11 . 19165 1 
      483 . 1 1 50 50 LEU HD12 H  1   0.2903  0.03 . 2 . . . . 50 LEU HD11 . 19165 1 
      484 . 1 1 50 50 LEU HD13 H  1   0.2903  0.03 . 2 . . . . 50 LEU HD11 . 19165 1 
      485 . 1 1 50 50 LEU HD21 H  1  -0.0532  0.03 . 2 . . . . 50 LEU HD21 . 19165 1 
      486 . 1 1 50 50 LEU HD22 H  1  -0.0532  0.03 . 2 . . . . 50 LEU HD21 . 19165 1 
      487 . 1 1 50 50 LEU HD23 H  1  -0.0532  0.03 . 2 . . . . 50 LEU HD21 . 19165 1 
      488 . 1 1 50 50 LEU C    C 13 174.1539  0.3  . 1 . . . . 50 LEU C    . 19165 1 
      489 . 1 1 50 50 LEU CA   C 13  53.5351  0.3  . 1 . . . . 50 LEU CA   . 19165 1 
      490 . 1 1 50 50 LEU CB   C 13  41.9920  0.3  . 1 . . . . 50 LEU CB   . 19165 1 
      491 . 1 1 50 50 LEU CG   C 13  26.6814  0.3  . 1 . . . . 50 LEU CG   . 19165 1 
      492 . 1 1 50 50 LEU CD1  C 13  23.0654  0.3  . 2 . . . . 50 LEU CD1  . 19165 1 
      493 . 1 1 50 50 LEU CD2  C 13  23.0654  0.3  . 2 . . . . 50 LEU CD2  . 19165 1 
      494 . 1 1 50 50 LEU N    N 15 128.0443  0.2  . 1 . . . . 50 LEU N    . 19165 1 
      495 . 1 1 51 51 ASP H    H  1   9.0773  0.03 . 1 . . . . 51 ASP HN   . 19165 1 
      496 . 1 1 51 51 ASP HA   H  1   4.8438  0.03 . 1 . . . . 51 ASP HA   . 19165 1 
      497 . 1 1 51 51 ASP HB2  H  1   3.2886  0.03 . 2 . . . . 51 ASP HB2  . 19165 1 
      498 . 1 1 51 51 ASP HB3  H  1   2.4972  0.03 . 2 . . . . 51 ASP HB3  . 19165 1 
      499 . 1 1 51 51 ASP C    C 13 175.8122  0.3  . 1 . . . . 51 ASP C    . 19165 1 
      500 . 1 1 51 51 ASP CA   C 13  51.4796  0.3  . 1 . . . . 51 ASP CA   . 19165 1 
      501 . 1 1 51 51 ASP CB   C 13  40.2374  0.3  . 1 . . . . 51 ASP CB   . 19165 1 
      502 . 1 1 51 51 ASP N    N 15 129.8635  0.2  . 1 . . . . 51 ASP N    . 19165 1 
      503 . 1 1 52 52 VAL H    H  1   8.1576  0.03 . 1 . . . . 52 VAL HN   . 19165 1 
      504 . 1 1 52 52 VAL HA   H  1   3.3021  0.03 . 1 . . . . 52 VAL HA   . 19165 1 
      505 . 1 1 52 52 VAL HB   H  1   1.6532  0.03 . 1 . . . . 52 VAL HB   . 19165 1 
      506 . 1 1 52 52 VAL HG11 H  1   0.4273  0.03 . 2 . . . . 52 VAL HG11 . 19165 1 
      507 . 1 1 52 52 VAL HG12 H  1   0.4273  0.03 . 2 . . . . 52 VAL HG11 . 19165 1 
      508 . 1 1 52 52 VAL HG13 H  1   0.4273  0.03 . 2 . . . . 52 VAL HG11 . 19165 1 
      509 . 1 1 52 52 VAL HG21 H  1   0.8694  0.03 . 2 . . . . 52 VAL HG21 . 19165 1 
      510 . 1 1 52 52 VAL HG22 H  1   0.8694  0.03 . 2 . . . . 52 VAL HG21 . 19165 1 
      511 . 1 1 52 52 VAL HG23 H  1   0.8694  0.03 . 2 . . . . 52 VAL HG21 . 19165 1 
      512 . 1 1 52 52 VAL C    C 13 177.1841  0.3  . 1 . . . . 52 VAL C    . 19165 1 
      513 . 1 1 52 52 VAL CA   C 13  66.7144  0.3  . 1 . . . . 52 VAL CA   . 19165 1 
      514 . 1 1 52 52 VAL CB   C 13  31.1499  0.3  . 1 . . . . 52 VAL CB   . 19165 1 
      515 . 1 1 52 52 VAL CG1  C 13  21.0362  0.3  . 2 . . . . 52 VAL CG1  . 19165 1 
      516 . 1 1 52 52 VAL N    N 15 122.2248  0.2  . 1 . . . . 52 VAL N    . 19165 1 
      517 . 1 1 53 53 GLN H    H  1   8.2431  0.03 . 1 . . . . 53 GLN HN   . 19165 1 
      518 . 1 1 53 53 GLN HA   H  1   3.9565  0.03 . 1 . . . . 53 GLN HA   . 19165 1 
      519 . 1 1 53 53 GLN HB3  H  1   2.0526  0.03 . 2 . . . . 53 GLN HB3  . 19165 1 
      520 . 1 1 53 53 GLN HG2  H  1   2.3630  0.03 . 2 . . . . 53 GLN HG2  . 19165 1 
      521 . 1 1 53 53 GLN HE21 H  1   6.8528  0.03 . 2 . . . . 53 GLN HE21 . 19165 1 
      522 . 1 1 53 53 GLN HE22 H  1   7.5200  0.03 . 2 . . . . 53 GLN HE22 . 19165 1 
      523 . 1 1 53 53 GLN C    C 13 179.3917  0.3  . 1 . . . . 53 GLN C    . 19165 1 
      524 . 1 1 53 53 GLN CA   C 13  58.7121  0.3  . 1 . . . . 53 GLN CA   . 19165 1 
      525 . 1 1 53 53 GLN CB   C 13  27.8294  0.3  . 1 . . . . 53 GLN CB   . 19165 1 
      526 . 1 1 53 53 GLN CG   C 13  34.0597  0.3  . 1 . . . . 53 GLN CG   . 19165 1 
      527 . 1 1 53 53 GLN CD   C 13 180.0957  0.3  . 1 . . . . 53 GLN CD   . 19165 1 
      528 . 1 1 53 53 GLN N    N 15 119.0818  0.2  . 1 . . . . 53 GLN N    . 19165 1 
      529 . 1 1 53 53 GLN NE2  N 15 112.5113  0.2  . 1 . . . . 53 GLN NE2  . 19165 1 
      530 . 1 1 54 54 GLY H    H  1   8.3564  0.03 . 1 . . . . 54 GLY HN   . 19165 1 
      531 . 1 1 54 54 GLY HA2  H  1   3.6102  0.03 . 2 . . . . 54 GLY HA2  . 19165 1 
      532 . 1 1 54 54 GLY HA3  H  1   3.6102  0.03 . 2 . . . . 54 GLY HA3  . 19165 1 
      533 . 1 1 54 54 GLY C    C 13 175.4965  0.3  . 1 . . . . 54 GLY C    . 19165 1 
      534 . 1 1 54 54 GLY CA   C 13  47.8675  0.3  . 1 . . . . 54 GLY CA   . 19165 1 
      535 . 1 1 54 54 GLY N    N 15 110.8186  0.2  . 1 . . . . 54 GLY N    . 19165 1 
      536 . 1 1 55 55 ILE H    H  1   8.4117  0.03 . 1 . . . . 55 ILE HN   . 19165 1 
      537 . 1 1 55 55 ILE HA   H  1   3.7327  0.03 . 1 . . . . 55 ILE HA   . 19165 1 
      538 . 1 1 55 55 ILE HB   H  1   2.0587  0.03 . 1 . . . . 55 ILE HB   . 19165 1 
      539 . 1 1 55 55 ILE HG12 H  1   1.1844  0.03 . 2 . . . . 55 ILE HG12 . 19165 1 
      540 . 1 1 55 55 ILE HG21 H  1   1.0802  0.03 . 1 . . . . 55 ILE HG21 . 19165 1 
      541 . 1 1 55 55 ILE HG22 H  1   1.0802  0.03 . 1 . . . . 55 ILE HG21 . 19165 1 
      542 . 1 1 55 55 ILE HG23 H  1   1.0802  0.03 . 1 . . . . 55 ILE HG21 . 19165 1 
      543 . 1 1 55 55 ILE HD11 H  1   0.8567  0.03 . 1 . . . . 55 ILE HD11 . 19165 1 
      544 . 1 1 55 55 ILE HD12 H  1   0.8567  0.03 . 1 . . . . 55 ILE HD11 . 19165 1 
      545 . 1 1 55 55 ILE HD13 H  1   0.8567  0.03 . 1 . . . . 55 ILE HD11 . 19165 1 
      546 . 1 1 55 55 ILE C    C 13 179.2979  0.3  . 1 . . . . 55 ILE C    . 19165 1 
      547 . 1 1 55 55 ILE CA   C 13  65.4744  0.3  . 1 . . . . 55 ILE CA   . 19165 1 
      548 . 1 1 55 55 ILE CB   C 13  37.8675  0.3  . 1 . . . . 55 ILE CB   . 19165 1 
      549 . 1 1 55 55 ILE CG1  C 13  29.8064  0.3  . 1 . . . . 55 ILE CG1  . 19165 1 
      550 . 1 1 55 55 ILE CG2  C 13  18.5573  0.3  . 1 . . . . 55 ILE CG2  . 19165 1 
      551 . 1 1 55 55 ILE CD1  C 13  13.6680  0.3  . 1 . . . . 55 ILE CD1  . 19165 1 
      552 . 1 1 55 55 ILE N    N 15 122.4633  0.2  . 1 . . . . 55 ILE N    . 19165 1 
      553 . 1 1 56 56 ALA H    H  1   8.5941  0.03 . 1 . . . . 56 ALA HN   . 19165 1 
      554 . 1 1 56 56 ALA HA   H  1   4.2644  0.03 . 1 . . . . 56 ALA HA   . 19165 1 
      555 . 1 1 56 56 ALA HB1  H  1   1.5457  0.03 . 1 . . . . 56 ALA HB3  . 19165 1 
      556 . 1 1 56 56 ALA HB2  H  1   1.5457  0.03 . 1 . . . . 56 ALA HB3  . 19165 1 
      557 . 1 1 56 56 ALA HB3  H  1   1.5457  0.03 . 1 . . . . 56 ALA HB3  . 19165 1 
      558 . 1 1 56 56 ALA C    C 13 179.9425  0.3  . 1 . . . . 56 ALA C    . 19165 1 
      559 . 1 1 56 56 ALA CA   C 13  55.2261  0.3  . 1 . . . . 56 ALA CA   . 19165 1 
      560 . 1 1 56 56 ALA CB   C 13  18.4792  0.3  . 1 . . . . 56 ALA CB   . 19165 1 
      561 . 1 1 56 56 ALA N    N 15 124.1962  0.2  . 1 . . . . 56 ALA N    . 19165 1 
      562 . 1 1 57 57 THR H    H  1   8.0432  0.03 . 1 . . . . 57 THR HN   . 19165 1 
      563 . 1 1 57 57 THR HA   H  1   4.0500  0.03 . 1 . . . . 57 THR HA   . 19165 1 
      564 . 1 1 57 57 THR HB   H  1   4.2309  0.03 . 1 . . . . 57 THR HB   . 19165 1 
      565 . 1 1 57 57 THR HG21 H  1   1.2117  0.03 . 1 . . . . 57 THR HG21 . 19165 1 
      566 . 1 1 57 57 THR HG22 H  1   1.2117  0.03 . 1 . . . . 57 THR HG21 . 19165 1 
      567 . 1 1 57 57 THR HG23 H  1   1.2117  0.03 . 1 . . . . 57 THR HG21 . 19165 1 
      568 . 1 1 57 57 THR C    C 13 176.2493  0.3  . 1 . . . . 57 THR C    . 19165 1 
      569 . 1 1 57 57 THR CA   C 13  65.9829  0.3  . 1 . . . . 57 THR CA   . 19165 1 
      570 . 1 1 57 57 THR CB   C 13  69.2279  0.3  . 1 . . . . 57 THR CB   . 19165 1 
      571 . 1 1 57 57 THR CG2  C 13  21.5615  0.3  . 1 . . . . 57 THR CG2  . 19165 1 
      572 . 1 1 57 57 THR N    N 15 113.4477  0.2  . 1 . . . . 57 THR N    . 19165 1 
      573 . 1 1 58 58 VAL H    H  1   8.6274  0.03 . 1 . . . . 58 VAL HN   . 19165 1 
      574 . 1 1 58 58 VAL HA   H  1   4.0937  0.03 . 1 . . . . 58 VAL HA   . 19165 1 
      575 . 1 1 58 58 VAL HB   H  1   1.9307  0.03 . 1 . . . . 58 VAL HB   . 19165 1 
      576 . 1 1 58 58 VAL HG11 H  1   0.8321  0.03 . 2 . . . . 58 VAL HG11 . 19165 1 
      577 . 1 1 58 58 VAL HG12 H  1   0.8321  0.03 . 2 . . . . 58 VAL HG11 . 19165 1 
      578 . 1 1 58 58 VAL HG13 H  1   0.8321  0.03 . 2 . . . . 58 VAL HG11 . 19165 1 
      579 . 1 1 58 58 VAL C    C 13 177.4669  0.3  . 1 . . . . 58 VAL C    . 19165 1 
      580 . 1 1 58 58 VAL CA   C 13  63.9155  0.3  . 1 . . . . 58 VAL CA   . 19165 1 
      581 . 1 1 58 58 VAL CB   C 13  32.2733  0.3  . 1 . . . . 58 VAL CB   . 19165 1 
      582 . 1 1 58 58 VAL CG1  C 13  21.7275  0.3  . 2 . . . . 58 VAL CG1  . 19165 1 
      583 . 1 1 58 58 VAL N    N 15 118.3355  0.2  . 1 . . . . 58 VAL N    . 19165 1 
      584 . 1 1 59 59 THR H    H  1   8.0457  0.03 . 1 . . . . 59 THR HN   . 19165 1 
      585 . 1 1 59 59 THR HA   H  1   4.0920  0.03 . 1 . . . . 59 THR HA   . 19165 1 
      586 . 1 1 59 59 THR CA   C 13  71.7902  0.3  . 1 . . . . 59 THR CA   . 19165 1 
      587 . 1 1 59 59 THR CB   C 13  66.1384  0.3  . 1 . . . . 59 THR CB   . 19165 1 
      588 . 1 1 59 59 THR N    N 15 118.6749  0.2  . 1 . . . . 59 THR N    . 19165 1 
      589 . 1 1 60 60 PRO HA   H  1   4.4085  0.03 . 1 . . . . 60 PRO HA   . 19165 1 
      590 . 1 1 60 60 PRO HB2  H  1   2.3931  0.03 . 2 . . . . 60 PRO HB2  . 19165 1 
      591 . 1 1 60 60 PRO HB3  H  1   1.9378  0.03 . 2 . . . . 60 PRO HB3  . 19165 1 
      592 . 1 1 60 60 PRO HG2  H  1   2.1318  0.03 . 2 . . . . 60 PRO HG1  . 19165 1 
      593 . 1 1 60 60 PRO HD2  H  1   3.9119  0.03 . 2 . . . . 60 PRO HD2  . 19165 1 
      594 . 1 1 60 60 PRO HD3  H  1   3.5907  0.03 . 2 . . . . 60 PRO HD3  . 19165 1 
      595 . 1 1 60 60 PRO C    C 13 179.3810  0.3  . 1 . . . . 60 PRO C    . 19165 1 
      596 . 1 1 60 60 PRO CA   C 13  65.9699  0.3  . 1 . . . . 60 PRO CA   . 19165 1 
      597 . 1 1 60 60 PRO CB   C 13  30.8580  0.3  . 1 . . . . 60 PRO CB   . 19165 1 
      598 . 1 1 60 60 PRO CG   C 13  28.1473  0.3  . 1 . . . . 60 PRO CG   . 19165 1 
      599 . 1 1 60 60 PRO CD   C 13  50.6320  0.3  . 1 . . . . 60 PRO CD   . 19165 1 
      600 . 1 1 61 61 ALA H    H  1   6.8312  0.03 . 1 . . . . 61 ALA HN   . 19165 1 
      601 . 1 1 61 61 ALA HA   H  1   4.2819  0.03 . 1 . . . . 61 ALA HA   . 19165 1 
      602 . 1 1 61 61 ALA HB1  H  1   1.6277  0.03 . 1 . . . . 61 ALA HB3  . 19165 1 
      603 . 1 1 61 61 ALA HB2  H  1   1.6277  0.03 . 1 . . . . 61 ALA HB3  . 19165 1 
      604 . 1 1 61 61 ALA HB3  H  1   1.6277  0.03 . 1 . . . . 61 ALA HB3  . 19165 1 
      605 . 1 1 61 61 ALA C    C 13 180.9663  0.3  . 1 . . . . 61 ALA C    . 19165 1 
      606 . 1 1 61 61 ALA CA   C 13  54.9255  0.3  . 1 . . . . 61 ALA CA   . 19165 1 
      607 . 1 1 61 61 ALA CB   C 13  18.1115  0.3  . 1 . . . . 61 ALA CB   . 19165 1 
      608 . 1 1 61 61 ALA N    N 15 120.4976  0.2  . 1 . . . . 61 ALA N    . 19165 1 
      609 . 1 1 62 62 ILE H    H  1   8.5373  0.03 . 1 . . . . 62 ILE HN   . 19165 1 
      610 . 1 1 62 62 ILE HA   H  1   3.7286  0.03 . 1 . . . . 62 ILE HA   . 19165 1 
      611 . 1 1 62 62 ILE HB   H  1   2.0255  0.03 . 1 . . . . 62 ILE HB   . 19165 1 
      612 . 1 1 62 62 ILE HG12 H  1   0.7805  0.03 . 2 . . . . 62 ILE HG12 . 19165 1 
      613 . 1 1 62 62 ILE HG13 H  1   1.7575  0.03 . 2 . . . . 62 ILE HG13 . 19165 1 
      614 . 1 1 62 62 ILE HG21 H  1   0.8065  0.03 . 1 . . . . 62 ILE HG21 . 19165 1 
      615 . 1 1 62 62 ILE HG22 H  1   0.8065  0.03 . 1 . . . . 62 ILE HG21 . 19165 1 
      616 . 1 1 62 62 ILE HG23 H  1   0.8065  0.03 . 1 . . . . 62 ILE HG21 . 19165 1 
      617 . 1 1 62 62 ILE HD11 H  1   0.8994  0.03 . 1 . . . . 62 ILE HD11 . 19165 1 
      618 . 1 1 62 62 ILE HD12 H  1   0.8994  0.03 . 1 . . . . 62 ILE HD11 . 19165 1 
      619 . 1 1 62 62 ILE HD13 H  1   0.8994  0.03 . 1 . . . . 62 ILE HD11 . 19165 1 
      620 . 1 1 62 62 ILE C    C 13 178.0574  0.3  . 1 . . . . 62 ILE C    . 19165 1 
      621 . 1 1 62 62 ILE CA   C 13  64.9010  0.3  . 1 . . . . 62 ILE CA   . 19165 1 
      622 . 1 1 62 62 ILE CB   C 13  37.9067  0.3  . 1 . . . . 62 ILE CB   . 19165 1 
      623 . 1 1 62 62 ILE CG1  C 13  30.3734  0.3  . 1 . . . . 62 ILE CG1  . 19165 1 
      624 . 1 1 62 62 ILE CG2  C 13  18.7864  0.3  . 1 . . . . 62 ILE CG2  . 19165 1 
      625 . 1 1 62 62 ILE CD1  C 13  17.9304  0.3  . 1 . . . . 62 ILE CD1  . 19165 1 
      626 . 1 1 62 62 ILE N    N 15 122.1764  0.2  . 1 . . . . 62 ILE N    . 19165 1 
      627 . 1 1 63 63 VAL H    H  1   8.8084  0.03 . 1 . . . . 63 VAL HN   . 19165 1 
      628 . 1 1 63 63 VAL HA   H  1   3.7024  0.03 . 1 . . . . 63 VAL HA   . 19165 1 
      629 . 1 1 63 63 VAL HB   H  1   2.3339  0.03 . 1 . . . . 63 VAL HB   . 19165 1 
      630 . 1 1 63 63 VAL HG11 H  1   0.9214  0.03 . 2 . . . . 63 VAL HG11 . 19165 1 
      631 . 1 1 63 63 VAL HG12 H  1   0.9214  0.03 . 2 . . . . 63 VAL HG11 . 19165 1 
      632 . 1 1 63 63 VAL HG13 H  1   0.9214  0.03 . 2 . . . . 63 VAL HG11 . 19165 1 
      633 . 1 1 63 63 VAL HG21 H  1   1.1438  0.03 . 2 . . . . 63 VAL HG21 . 19165 1 
      634 . 1 1 63 63 VAL HG22 H  1   1.1438  0.03 . 2 . . . . 63 VAL HG21 . 19165 1 
      635 . 1 1 63 63 VAL HG23 H  1   1.1438  0.03 . 2 . . . . 63 VAL HG21 . 19165 1 
      636 . 1 1 63 63 VAL C    C 13 179.2871  0.3  . 1 . . . . 63 VAL C    . 19165 1 
      637 . 1 1 63 63 VAL CA   C 13  68.2853  0.3  . 1 . . . . 63 VAL CA   . 19165 1 
      638 . 1 1 63 63 VAL CB   C 13  31.7813  0.3  . 1 . . . . 63 VAL CB   . 19165 1 
      639 . 1 1 63 63 VAL CG1  C 13  20.7226  0.3  . 2 . . . . 63 VAL CG1  . 19165 1 
      640 . 1 1 63 63 VAL CG2  C 13  22.9695  0.3  . 2 . . . . 63 VAL CG2  . 19165 1 
      641 . 1 1 63 63 VAL N    N 15 122.5053  0.2  . 1 . . . . 63 VAL N    . 19165 1 
      642 . 1 1 64 64 GLN H    H  1   8.0419  0.03 . 1 . . . . 64 GLN HN   . 19165 1 
      643 . 1 1 64 64 GLN HA   H  1   4.0979  0.03 . 1 . . . . 64 GLN HA   . 19165 1 
      644 . 1 1 64 64 GLN HB3  H  1   2.1888  0.03 . 2 . . . . 64 GLN HB3  . 19165 1 
      645 . 1 1 64 64 GLN HG2  H  1   2.4583  0.03 . 2 . . . . 64 GLN HG2  . 19165 1 
      646 . 1 1 64 64 GLN HE21 H  1   6.8514  0.03 . 2 . . . . 64 GLN HE21 . 19165 1 
      647 . 1 1 64 64 GLN HE22 H  1   7.5038  0.03 . 2 . . . . 64 GLN HE22 . 19165 1 
      648 . 1 1 64 64 GLN C    C 13 178.6068  0.3  . 1 . . . . 64 GLN C    . 19165 1 
      649 . 1 1 64 64 GLN CA   C 13  59.4823  0.3  . 1 . . . . 64 GLN CA   . 19165 1 
      650 . 1 1 64 64 GLN CB   C 13  28.2637  0.3  . 1 . . . . 64 GLN CB   . 19165 1 
      651 . 1 1 64 64 GLN CG   C 13  33.6757  0.3  . 1 . . . . 64 GLN CG   . 19165 1 
      652 . 1 1 64 64 GLN CD   C 13 179.8321  0.3  . 1 . . . . 64 GLN CD   . 19165 1 
      653 . 1 1 64 64 GLN N    N 15 119.7698  0.2  . 1 . . . . 64 GLN N    . 19165 1 
      654 . 1 1 64 64 GLN NE2  N 15 111.8584  0.2  . 1 . . . . 64 GLN NE2  . 19165 1 
      655 . 1 1 65 65 ALA H    H  1   8.4992  0.03 . 1 . . . . 65 ALA HN   . 19165 1 
      656 . 1 1 65 65 ALA HA   H  1   4.1749  0.03 . 1 . . . . 65 ALA HA   . 19165 1 
      657 . 1 1 65 65 ALA HB1  H  1   1.5370  0.03 . 1 . . . . 65 ALA HB3  . 19165 1 
      658 . 1 1 65 65 ALA HB2  H  1   1.5370  0.03 . 1 . . . . 65 ALA HB3  . 19165 1 
      659 . 1 1 65 65 ALA HB3  H  1   1.5370  0.03 . 1 . . . . 65 ALA HB3  . 19165 1 
      660 . 1 1 65 65 ALA C    C 13 181.8314  0.3  . 1 . . . . 65 ALA C    . 19165 1 
      661 . 1 1 65 65 ALA CA   C 13  55.1930  0.3  . 1 . . . . 65 ALA CA   . 19165 1 
      662 . 1 1 65 65 ALA CB   C 13  18.6700  0.3  . 1 . . . . 65 ALA CB   . 19165 1 
      663 . 1 1 65 65 ALA N    N 15 122.4103  0.2  . 1 . . . . 65 ALA N    . 19165 1 
      664 . 1 1 66 66 CYS H    H  1   9.1902  0.03 . 1 . . . . 66 CYS HN   . 19165 1 
      665 . 1 1 66 66 CYS HA   H  1   4.9970  0.03 . 1 . . . . 66 CYS HA   . 19165 1 
      666 . 1 1 66 66 CYS HB2  H  1   3.5536  0.03 . 2 . . . . 66 CYS HB2  . 19165 1 
      667 . 1 1 66 66 CYS HB3  H  1   3.1085  0.03 . 2 . . . . 66 CYS HB3  . 19165 1 
      668 . 1 1 66 66 CYS C    C 13 176.5886  0.3  . 1 . . . . 66 CYS C    . 19165 1 
      669 . 1 1 66 66 CYS CA   C 13  52.3578  0.3  . 1 . . . . 66 CYS CA   . 19165 1 
      670 . 1 1 66 66 CYS CB   C 13  31.1684  0.3  . 1 . . . . 66 CYS CB   . 19165 1 
      671 . 1 1 66 66 CYS N    N 15 114.6484  0.2  . 1 . . . . 66 CYS N    . 19165 1 
      672 . 1 1 67 67 THR H    H  1   8.2740  0.03 . 1 . . . . 67 THR HN   . 19165 1 
      673 . 1 1 67 67 THR HA   H  1   3.8008  0.03 . 1 . . . . 67 THR HA   . 19165 1 
      674 . 1 1 67 67 THR HB   H  1   4.4146  0.03 . 1 . . . . 67 THR HB   . 19165 1 
      675 . 1 1 67 67 THR HG21 H  1   1.2958  0.03 . 1 . . . . 67 THR HG21 . 19165 1 
      676 . 1 1 67 67 THR HG22 H  1   1.2958  0.03 . 1 . . . . 67 THR HG21 . 19165 1 
      677 . 1 1 67 67 THR HG23 H  1   1.2958  0.03 . 1 . . . . 67 THR HG21 . 19165 1 
      678 . 1 1 67 67 THR C    C 13 175.1970  0.3  . 1 . . . . 67 THR C    . 19165 1 
      679 . 1 1 67 67 THR CA   C 13  66.8860  0.3  . 1 . . . . 67 THR CA   . 19165 1 
      680 . 1 1 67 67 THR CB   C 13  69.1014  0.3  . 1 . . . . 67 THR CB   . 19165 1 
      681 . 1 1 67 67 THR CG2  C 13  21.2164  0.3  . 1 . . . . 67 THR CG2  . 19165 1 
      682 . 1 1 67 67 THR N    N 15 116.3138  0.2  . 1 . . . . 67 THR N    . 19165 1 
      683 . 1 1 68 68 GLN H    H  1   7.1917  0.03 . 1 . . . . 68 GLN HN   . 19165 1 
      684 . 1 1 68 68 GLN HA   H  1   4.2806  0.03 . 1 . . . . 68 GLN HA   . 19165 1 
      685 . 1 1 68 68 GLN HB3  H  1   2.0341  0.03 . 2 . . . . 68 GLN HB3  . 19165 1 
      686 . 1 1 68 68 GLN HG2  H  1   2.2819  0.03 . 2 . . . . 68 GLN HG2  . 19165 1 
      687 . 1 1 68 68 GLN HG3  H  1   2.4966  0.03 . 2 . . . . 68 GLN HG3  . 19165 1 
      688 . 1 1 68 68 GLN HE21 H  1   6.8682  0.03 . 2 . . . . 68 GLN HE21 . 19165 1 
      689 . 1 1 68 68 GLN HE22 H  1   7.4261  0.03 . 2 . . . . 68 GLN HE22 . 19165 1 
      690 . 1 1 68 68 GLN C    C 13 175.4087  0.3  . 1 . . . . 68 GLN C    . 19165 1 
      691 . 1 1 68 68 GLN CA   C 13  56.3470  0.3  . 1 . . . . 68 GLN CA   . 19165 1 
      692 . 1 1 68 68 GLN CB   C 13  29.3396  0.3  . 1 . . . . 68 GLN CB   . 19165 1 
      693 . 1 1 68 68 GLN CG   C 13  33.8594  0.3  . 1 . . . . 68 GLN CG   . 19165 1 
      694 . 1 1 68 68 GLN CD   C 13 180.2627  0.3  . 1 . . . . 68 GLN CD   . 19165 1 
      695 . 1 1 68 68 GLN N    N 15 116.9520  0.2  . 1 . . . . 68 GLN N    . 19165 1 
      696 . 1 1 68 68 GLN NE2  N 15 111.9131  0.2  . 1 . . . . 68 GLN NE2  . 19165 1 
      697 . 1 1 69 69 ASP H    H  1   7.2836  0.03 . 1 . . . . 69 ASP HN   . 19165 1 
      698 . 1 1 69 69 ASP HA   H  1   4.9006  0.03 . 1 . . . . 69 ASP HA   . 19165 1 
      699 . 1 1 69 69 ASP HB2  H  1   2.8507  0.03 . 2 . . . . 69 ASP HB2  . 19165 1 
      700 . 1 1 69 69 ASP HB3  H  1   2.4516  0.03 . 2 . . . . 69 ASP HB3  . 19165 1 
      701 . 1 1 69 69 ASP C    C 13 175.0774  0.3  . 1 . . . . 69 ASP C    . 19165 1 
      702 . 1 1 69 69 ASP CA   C 13  52.5158  0.3  . 1 . . . . 69 ASP CA   . 19165 1 
      703 . 1 1 69 69 ASP CB   C 13  40.7416  0.3  . 1 . . . . 69 ASP CB   . 19165 1 
      704 . 1 1 69 69 ASP N    N 15 120.5856  0.2  . 1 . . . . 69 ASP N    . 19165 1 
      705 . 1 1 70 70 LYS H    H  1   8.3646  0.03 . 1 . . . . 70 LYS HN   . 19165 1 
      706 . 1 1 70 70 LYS HA   H  1   4.0501  0.03 . 1 . . . . 70 LYS HA   . 19165 1 
      707 . 1 1 70 70 LYS HB3  H  1   1.7676  0.03 . 2 . . . . 70 LYS HB3  . 19165 1 
      708 . 1 1 70 70 LYS HG2  H  1   1.4050  0.03 . 2 . . . . 70 LYS HG1  . 19165 1 
      709 . 1 1 70 70 LYS HD2  H  1   1.6400  0.03 . 2 . . . . 70 LYS HD2  . 19165 1 
      710 . 1 1 70 70 LYS HE2  H  1   3.0199  0.03 . 2 . . . . 70 LYS HE1  . 19165 1 
      711 . 1 1 70 70 LYS C    C 13 177.4753  0.3  . 1 . . . . 70 LYS C    . 19165 1 
      712 . 1 1 70 70 LYS CA   C 13  60.3369  0.3  . 1 . . . . 70 LYS CA   . 19165 1 
      713 . 1 1 70 70 LYS CB   C 13  33.4804  0.3  . 1 . . . . 70 LYS CB   . 19165 1 
      714 . 1 1 70 70 LYS CG   C 13  26.6851  0.3  . 1 . . . . 70 LYS CG   . 19165 1 
      715 . 1 1 70 70 LYS CD   C 13  29.5345  0.3  . 1 . . . . 70 LYS CD   . 19165 1 
      716 . 1 1 70 70 LYS CE   C 13  42.3642  0.3  . 1 . . . . 70 LYS CE   . 19165 1 
      717 . 1 1 70 70 LYS N    N 15 120.8481  0.2  . 1 . . . . 70 LYS N    . 19165 1 
      718 . 1 1 71 71 GLN H    H  1   8.2655  0.03 . 1 . . . . 71 GLN HN   . 19165 1 
      719 . 1 1 71 71 GLN HA   H  1   4.5104  0.03 . 1 . . . . 71 GLN HA   . 19165 1 
      720 . 1 1 71 71 GLN HB3  H  1   2.0412  0.03 . 2 . . . . 71 GLN HB3  . 19165 1 
      721 . 1 1 71 71 GLN HG2  H  1   2.4226  0.03 . 2 . . . . 71 GLN HG2  . 19165 1 
      722 . 1 1 71 71 GLN HE21 H  1   6.8681  0.03 . 2 . . . . 71 GLN HE21 . 19165 1 
      723 . 1 1 71 71 GLN HE22 H  1   7.6014  0.03 . 2 . . . . 71 GLN HE22 . 19165 1 
      724 . 1 1 71 71 GLN C    C 13 176.1237  0.3  . 1 . . . . 71 GLN C    . 19165 1 
      725 . 1 1 71 71 GLN CA   C 13  55.3888  0.3  . 1 . . . . 71 GLN CA   . 19165 1 
      726 . 1 1 71 71 GLN CB   C 13  28.3611  0.3  . 1 . . . . 71 GLN CB   . 19165 1 
      727 . 1 1 71 71 GLN CG   C 13  34.4131  0.3  . 1 . . . . 71 GLN CG   . 19165 1 
      728 . 1 1 71 71 GLN CD   C 13 180.5863  0.3  . 1 . . . . 71 GLN CD   . 19165 1 
      729 . 1 1 71 71 GLN N    N 15 112.8424  0.2  . 1 . . . . 71 GLN N    . 19165 1 
      730 . 1 1 71 71 GLN NE2  N 15 113.2261  0.2  . 1 . . . . 71 GLN NE2  . 19165 1 
      731 . 1 1 72 72 ALA H    H  1   7.3317  0.03 . 1 . . . . 72 ALA HN   . 19165 1 
      732 . 1 1 72 72 ALA HA   H  1   4.1949  0.03 . 1 . . . . 72 ALA HA   . 19165 1 
      733 . 1 1 72 72 ALA HB1  H  1   1.5607  0.03 . 1 . . . . 72 ALA HB3  . 19165 1 
      734 . 1 1 72 72 ALA HB2  H  1   1.5607  0.03 . 1 . . . . 72 ALA HB3  . 19165 1 
      735 . 1 1 72 72 ALA HB3  H  1   1.5607  0.03 . 1 . . . . 72 ALA HB3  . 19165 1 
      736 . 1 1 72 72 ALA C    C 13 176.4967  0.3  . 1 . . . . 72 ALA C    . 19165 1 
      737 . 1 1 72 72 ALA CA   C 13  51.8836  0.3  . 1 . . . . 72 ALA CA   . 19165 1 
      738 . 1 1 72 72 ALA CB   C 13  20.1411  0.3  . 1 . . . . 72 ALA CB   . 19165 1 
      739 . 1 1 72 72 ALA N    N 15 121.7242  0.2  . 1 . . . . 72 ALA N    . 19165 1 
      740 . 1 1 73 73 ASN H    H  1   8.7860  0.03 . 1 . . . . 73 ASN HN   . 19165 1 
      741 . 1 1 73 73 ASN HA   H  1   4.7152  0.03 . 1 . . . . 73 ASN HA   . 19165 1 
      742 . 1 1 73 73 ASN HB2  H  1   2.9228  0.03 . 2 . . . . 73 ASN HB2  . 19165 1 
      743 . 1 1 73 73 ASN HB3  H  1   2.7094  0.03 . 2 . . . . 73 ASN HB3  . 19165 1 
      744 . 1 1 73 73 ASN HD21 H  1   6.7415  0.03 . 2 . . . . 73 ASN HD21 . 19165 1 
      745 . 1 1 73 73 ASN HD22 H  1   7.9206  0.03 . 2 . . . . 73 ASN HD22 . 19165 1 
      746 . 1 1 73 73 ASN C    C 13 175.5914  0.3  . 1 . . . . 73 ASN C    . 19165 1 
      747 . 1 1 73 73 ASN CA   C 13  55.1042  0.3  . 1 . . . . 73 ASN CA   . 19165 1 
      748 . 1 1 73 73 ASN CB   C 13  39.6296  0.3  . 1 . . . . 73 ASN CB   . 19165 1 
      749 . 1 1 73 73 ASN CG   C 13 175.1350  0.3  . 1 . . . . 73 ASN CG   . 19165 1 
      750 . 1 1 73 73 ASN N    N 15 118.9456  0.2  . 1 . . . . 73 ASN N    . 19165 1 
      751 . 1 1 73 73 ASN ND2  N 15 112.0128  0.2  . 1 . . . . 73 ASN ND2  . 19165 1 
      752 . 1 1 74 74 PHE H    H  1   8.4994  0.03 . 1 . . . . 74 PHE HN   . 19165 1 
      753 . 1 1 74 74 PHE HA   H  1   4.2732  0.03 . 1 . . . . 74 PHE HA   . 19165 1 
      754 . 1 1 74 74 PHE HB3  H  1   3.1063  0.03 . 2 . . . . 74 PHE HB3  . 19165 1 
      755 . 1 1 74 74 PHE HD1  H  1   6.8646  0.03 . 3 . . . . 74 PHE HD1  . 19165 1 
      756 . 1 1 74 74 PHE HE1  H  1   7.0277  0.03 . 3 . . . . 74 PHE HE1  . 19165 1 
      757 . 1 1 74 74 PHE HZ   H  1   6.4553  0.03 . 1 . . . . 74 PHE HZ   . 19165 1 
      758 . 1 1 74 74 PHE C    C 13 176.0849  0.3  . 1 . . . . 74 PHE C    . 19165 1 
      759 . 1 1 74 74 PHE CA   C 13  60.3325  0.3  . 1 . . . . 74 PHE CA   . 19165 1 
      760 . 1 1 74 74 PHE CB   C 13  39.1036  0.3  . 1 . . . . 74 PHE CB   . 19165 1 
      761 . 1 1 74 74 PHE CD1  C 13 131.5152  0.3  . 3 . . . . 74 PHE CD1  . 19165 1 
      762 . 1 1 74 74 PHE CE1  C 13 128.3411  0.3  . 3 . . . . 74 PHE CE1  . 19165 1 
      763 . 1 1 74 74 PHE CZ   C 13 129.2216  0.3  . 1 . . . . 74 PHE CZ   . 19165 1 
      764 . 1 1 74 74 PHE N    N 15 128.4020  0.2  . 1 . . . . 74 PHE N    . 19165 1 
      765 . 1 1 75 75 LYS H    H  1   9.6686  0.03 . 1 . . . . 75 LYS HN   . 19165 1 
      766 . 1 1 75 75 LYS HA   H  1   3.2682  0.03 . 1 . . . . 75 LYS HA   . 19165 1 
      767 . 1 1 75 75 LYS HB3  H  1   1.8508  0.03 . 2 . . . . 75 LYS HB3  . 19165 1 
      768 . 1 1 75 75 LYS HG2  H  1   1.7552  0.03 . 2 . . . . 75 LYS HG1  . 19165 1 
      769 . 1 1 75 75 LYS HD2  H  1   1.5256  0.03 . 2 . . . . 75 LYS HD2  . 19165 1 
      770 . 1 1 75 75 LYS HD3  H  1   1.3342  0.03 . 2 . . . . 75 LYS HD3  . 19165 1 
      771 . 1 1 75 75 LYS HE2  H  1   2.9026  0.03 . 2 . . . . 75 LYS HE1  . 19165 1 
      772 . 1 1 75 75 LYS C    C 13 178.8360  0.3  . 1 . . . . 75 LYS C    . 19165 1 
      773 . 1 1 75 75 LYS CA   C 13  59.4065  0.3  . 1 . . . . 75 LYS CA   . 19165 1 
      774 . 1 1 75 75 LYS CB   C 13  30.1223  0.3  . 1 . . . . 75 LYS CB   . 19165 1 
      775 . 1 1 75 75 LYS CG   C 13  23.6092  0.3  . 1 . . . . 75 LYS CG   . 19165 1 
      776 . 1 1 75 75 LYS CD   C 13  28.7071  0.3  . 1 . . . . 75 LYS CD   . 19165 1 
      777 . 1 1 75 75 LYS CE   C 13  42.2445  0.3  . 1 . . . . 75 LYS CE   . 19165 1 
      778 . 1 1 75 75 LYS N    N 15 121.3949  0.2  . 1 . . . . 75 LYS N    . 19165 1 
      779 . 1 1 76 76 ASP H    H  1   8.3454  0.03 . 1 . . . . 76 ASP HN   . 19165 1 
      780 . 1 1 76 76 ASP HA   H  1   4.4495  0.03 . 1 . . . . 76 ASP HA   . 19165 1 
      781 . 1 1 76 76 ASP HB2  H  1   2.8466  0.03 . 2 . . . . 76 ASP HB2  . 19165 1 
      782 . 1 1 76 76 ASP HB3  H  1   2.6777  0.03 . 2 . . . . 76 ASP HB3  . 19165 1 
      783 . 1 1 76 76 ASP C    C 13 179.7372  0.3  . 1 . . . . 76 ASP C    . 19165 1 
      784 . 1 1 76 76 ASP CA   C 13  57.2607  0.3  . 1 . . . . 76 ASP CA   . 19165 1 
      785 . 1 1 76 76 ASP CB   C 13  40.0362  0.3  . 1 . . . . 76 ASP CB   . 19165 1 
      786 . 1 1 76 76 ASP N    N 15 121.4813  0.2  . 1 . . . . 76 ASP N    . 19165 1 
      787 . 1 1 77 77 LYS H    H  1   7.6840  0.03 . 1 . . . . 77 LYS HN   . 19165 1 
      788 . 1 1 77 77 LYS HA   H  1   4.1771  0.03 . 1 . . . . 77 LYS HA   . 19165 1 
      789 . 1 1 77 77 LYS HB3  H  1   2.0914  0.03 . 2 . . . . 77 LYS HB3  . 19165 1 
      790 . 1 1 77 77 LYS HD2  H  1   1.6235  0.03 . 2 . . . . 77 LYS HG1  . 19165 1 
      791 . 1 1 77 77 LYS HE2  H  1   2.8495  0.03 . 2 . . . . 77 LYS HE1  . 19165 1 
      792 . 1 1 77 77 LYS C    C 13 179.1158  0.3  . 1 . . . . 77 LYS C    . 19165 1 
      793 . 1 1 77 77 LYS CA   C 13  57.4186  0.3  . 1 . . . . 77 LYS CA   . 19165 1 
      794 . 1 1 77 77 LYS CB   C 13  31.2585  0.3  . 1 . . . . 77 LYS CB   . 19165 1 
      795 . 1 1 77 77 LYS CG   C 13  24.3138  0.3  . 1 . . . . 77 LYS CG   . 19165 1 
      796 . 1 1 77 77 LYS CD   C 13  28.0171  0.3  . 1 . . . . 77 LYS CD   . 19165 1 
      797 . 1 1 77 77 LYS N    N 15 122.2378  0.2  . 1 . . . . 77 LYS N    . 19165 1 
      798 . 1 1 78 78 VAL H    H  1   8.1401  0.03 . 1 . . . . 78 VAL HN   . 19165 1 
      799 . 1 1 78 78 VAL HA   H  1   3.2885  0.03 . 1 . . . . 78 VAL HA   . 19165 1 
      800 . 1 1 78 78 VAL HB   H  1   1.7681  0.03 . 1 . . . . 78 VAL HB   . 19165 1 
      801 . 1 1 78 78 VAL HG11 H  1   0.1104  0.03 . 2 . . . . 78 VAL HG11 . 19165 1 
      802 . 1 1 78 78 VAL HG12 H  1   0.1104  0.03 . 2 . . . . 78 VAL HG11 . 19165 1 
      803 . 1 1 78 78 VAL HG13 H  1   0.1104  0.03 . 2 . . . . 78 VAL HG11 . 19165 1 
      804 . 1 1 78 78 VAL HG21 H  1   0.7342  0.03 . 2 . . . . 78 VAL HG21 . 19165 1 
      805 . 1 1 78 78 VAL HG22 H  1   0.7342  0.03 . 2 . . . . 78 VAL HG21 . 19165 1 
      806 . 1 1 78 78 VAL HG23 H  1   0.7342  0.03 . 2 . . . . 78 VAL HG21 . 19165 1 
      807 . 1 1 78 78 VAL C    C 13 177.0056  0.3  . 1 . . . . 78 VAL C    . 19165 1 
      808 . 1 1 78 78 VAL CA   C 13  66.2683  0.3  . 1 . . . . 78 VAL CA   . 19165 1 
      809 . 1 1 78 78 VAL CB   C 13  31.4655  0.3  . 1 . . . . 78 VAL CB   . 19165 1 
      810 . 1 1 78 78 VAL CG1  C 13  20.7690  0.3  . 2 . . . . 78 VAL CG1  . 19165 1 
      811 . 1 1 78 78 VAL CG2  C 13  23.2911  0.3  . 2 . . . . 78 VAL CG2  . 19165 1 
      812 . 1 1 78 78 VAL N    N 15 119.6591  0.2  . 1 . . . . 78 VAL N    . 19165 1 
      813 . 1 1 79 79 LYS H    H  1   7.5694  0.03 . 1 . . . . 79 LYS HN   . 19165 1 
      814 . 1 1 79 79 LYS HA   H  1   3.9914  0.03 . 1 . . . . 79 LYS HA   . 19165 1 
      815 . 1 1 79 79 LYS HB3  H  1   1.8758  0.03 . 2 . . . . 79 LYS HB3  . 19165 1 
      816 . 1 1 79 79 LYS HG2  H  1   1.4264  0.03 . 2 . . . . 79 LYS HG1  . 19165 1 
      817 . 1 1 79 79 LYS HD2  H  1   1.6540  0.03 . 2 . . . . 79 LYS HD2  . 19165 1 
      818 . 1 1 79 79 LYS HE2  H  1   2.9630  0.03 . 2 . . . . 79 LYS HE1  . 19165 1 
      819 . 1 1 79 79 LYS C    C 13 178.7606  0.3  . 1 . . . . 79 LYS C    . 19165 1 
      820 . 1 1 79 79 LYS CA   C 13  59.5266  0.3  . 1 . . . . 79 LYS CA   . 19165 1 
      821 . 1 1 79 79 LYS CB   C 13  32.3700  0.3  . 1 . . . . 79 LYS CB   . 19165 1 
      822 . 1 1 79 79 LYS CG   C 13  24.6681  0.3  . 1 . . . . 79 LYS CG   . 19165 1 
      823 . 1 1 79 79 LYS CD   C 13  28.8951  0.3  . 1 . . . . 79 LYS CD   . 19165 1 
      824 . 1 1 79 79 LYS CE   C 13  42.2971  0.3  . 1 . . . . 79 LYS CE   . 19165 1 
      825 . 1 1 79 79 LYS N    N 15 118.2574  0.2  . 1 . . . . 79 LYS N    . 19165 1 
      826 . 1 1 80 80 GLY H    H  1   7.8688  0.03 . 1 . . . . 80 GLY HN   . 19165 1 
      827 . 1 1 80 80 GLY HA2  H  1   3.9640  0.03 . 2 . . . . 80 GLY HA2  . 19165 1 
      828 . 1 1 80 80 GLY HA3  H  1   3.9016  0.03 . 2 . . . . 80 GLY HA3  . 19165 1 
      829 . 1 1 80 80 GLY C    C 13 176.9582  0.3  . 1 . . . . 80 GLY C    . 19165 1 
      830 . 1 1 80 80 GLY CA   C 13  47.0392  0.3  . 1 . . . . 80 GLY CA   . 19165 1 
      831 . 1 1 80 80 GLY N    N 15 103.3759  0.2  . 1 . . . . 80 GLY N    . 19165 1 
      832 . 1 1 81 81 GLU H    H  1   7.9372  0.03 . 1 . . . . 81 GLU HN   . 19165 1 
      833 . 1 1 81 81 GLU HA   H  1   4.1843  0.03 . 1 . . . . 81 GLU HA   . 19165 1 
      834 . 1 1 81 81 GLU HB3  H  1   2.3817  0.03 . 2 . . . . 81 GLU HB3  . 19165 1 
      835 . 1 1 81 81 GLU HG2  H  1   1.9667  0.03 . 2 . . . . 81 GLU HG1  . 19165 1 
      836 . 1 1 81 81 GLU C    C 13 179.4472  0.3  . 1 . . . . 81 GLU C    . 19165 1 
      837 . 1 1 81 81 GLU CA   C 13  57.8914  0.3  . 1 . . . . 81 GLU CA   . 19165 1 
      838 . 1 1 81 81 GLU CB   C 13  28.7442  0.3  . 1 . . . . 81 GLU CB   . 19165 1 
      839 . 1 1 81 81 GLU CG   C 13  36.3065  0.3  . 1 . . . . 81 GLU CG   . 19165 1 
      840 . 1 1 81 81 GLU N    N 15 118.6243  0.2  . 1 . . . . 81 GLU N    . 19165 1 
      841 . 1 1 82 82 TRP H    H  1   8.7585  0.03 . 1 . . . . 82 TRP HN   . 19165 1 
      842 . 1 1 82 82 TRP HA   H  1   4.1858  0.03 . 1 . . . . 82 TRP HA   . 19165 1 
      843 . 1 1 82 82 TRP HB3  H  1   3.3118  0.03 . 2 . . . . 82 TRP HB3  . 19165 1 
      844 . 1 1 82 82 TRP HD1  H  1   7.2284  0.03 . 1 . . . . 82 TRP HD1  . 19165 1 
      845 . 1 1 82 82 TRP HE1  H  1   9.8469  0.03 . 1 . . . . 82 TRP HE1  . 19165 1 
      846 . 1 1 82 82 TRP HE3  H  1   7.2952  0.03 . 1 . . . . 82 TRP HE3  . 19165 1 
      847 . 1 1 82 82 TRP HZ2  H  1   7.4010  0.03 . 1 . . . . 82 TRP HZ2  . 19165 1 
      848 . 1 1 82 82 TRP HZ3  H  1   6.7650  0.03 . 1 . . . . 82 TRP HZ3  . 19165 1 
      849 . 1 1 82 82 TRP HH2  H  1   7.1701  0.03 . 1 . . . . 82 TRP HH2  . 19165 1 
      850 . 1 1 82 82 TRP C    C 13 178.7562  0.3  . 1 . . . . 82 TRP C    . 19165 1 
      851 . 1 1 82 82 TRP CA   C 13  60.5802  0.3  . 1 . . . . 82 TRP CA   . 19165 1 
      852 . 1 1 82 82 TRP CB   C 13  28.9028  0.3  . 1 . . . . 82 TRP CB   . 19165 1 
      853 . 1 1 82 82 TRP CD1  C 13 127.5977  0.3  . 1 . . . . 82 TRP CD1  . 19165 1 
      854 . 1 1 82 82 TRP CE3  C 13 119.6702  0.3  . 1 . . . . 82 TRP CE3  . 19165 1 
      855 . 1 1 82 82 TRP CZ2  C 13 114.3238  0.3  . 1 . . . . 82 TRP CZ2  . 19165 1 
      856 . 1 1 82 82 TRP CZ3  C 13 120.7918  0.3  . 1 . . . . 82 TRP CZ3  . 19165 1 
      857 . 1 1 82 82 TRP CH2  C 13 123.5478  0.3  . 1 . . . . 82 TRP CH2  . 19165 1 
      858 . 1 1 82 82 TRP N    N 15 123.0544  0.2  . 1 . . . . 82 TRP N    . 19165 1 
      859 . 1 1 82 82 TRP NE1  N 15 128.3248  0.2  . 1 . . . . 82 TRP NE1  . 19165 1 
      860 . 1 1 83 83 ASP H    H  1   8.3307  0.03 . 1 . . . . 83 ASP HN   . 19165 1 
      861 . 1 1 83 83 ASP HA   H  1   4.4073  0.03 . 1 . . . . 83 ASP HA   . 19165 1 
      862 . 1 1 83 83 ASP HB2  H  1   2.8010  0.03 . 2 . . . . 83 ASP HB2  . 19165 1 
      863 . 1 1 83 83 ASP HB3  H  1   2.6269  0.03 . 2 . . . . 83 ASP HB3  . 19165 1 
      864 . 1 1 83 83 ASP C    C 13 178.2782  0.3  . 1 . . . . 83 ASP C    . 19165 1 
      865 . 1 1 83 83 ASP CA   C 13  56.9528  0.3  . 1 . . . . 83 ASP CA   . 19165 1 
      866 . 1 1 83 83 ASP CB   C 13  40.3294  0.3  . 1 . . . . 83 ASP CB   . 19165 1 
      867 . 1 1 83 83 ASP N    N 15 117.0940  0.2  . 1 . . . . 83 ASP N    . 19165 1 
      868 . 1 1 84 84 LYS H    H  1   7.1621  0.03 . 1 . . . . 84 LYS HN   . 19165 1 
      869 . 1 1 84 84 LYS HA   H  1   4.0583  0.03 . 1 . . . . 84 LYS HA   . 19165 1 
      870 . 1 1 84 84 LYS HB3  H  1   1.9165  0.03 . 2 . . . . 84 LYS HB3  . 19165 1 
      871 . 1 1 84 84 LYS HG2  H  1   1.3872  0.03 . 2 . . . . 84 LYS HG1  . 19165 1 
      872 . 1 1 84 84 LYS HD2  H  1   1.7014  0.03 . 2 . . . . 84 LYS HD2  . 19165 1 
      873 . 1 1 84 84 LYS HE2  H  1   2.8941  0.03 . 2 . . . . 84 LYS HE1  . 19165 1 
      874 . 1 1 84 84 LYS C    C 13 178.2250  0.3  . 1 . . . . 84 LYS C    . 19165 1 
      875 . 1 1 84 84 LYS CA   C 13  58.7067  0.3  . 1 . . . . 84 LYS CA   . 19165 1 
      876 . 1 1 84 84 LYS CB   C 13  33.1259  0.3  . 1 . . . . 84 LYS CB   . 19165 1 
      877 . 1 1 84 84 LYS CG   C 13  25.3308  0.3  . 1 . . . . 84 LYS CG   . 19165 1 
      878 . 1 1 84 84 LYS CD   C 13  29.6415  0.3  . 1 . . . . 84 LYS CD   . 19165 1 
      879 . 1 1 84 84 LYS CE   C 13  42.1491  0.3  . 1 . . . . 84 LYS CE   . 19165 1 
      880 . 1 1 84 84 LYS N    N 15 116.5865  0.2  . 1 . . . . 84 LYS N    . 19165 1 
      881 . 1 1 85 85 ILE H    H  1   7.2745  0.03 . 1 . . . . 85 ILE HN   . 19165 1 
      882 . 1 1 85 85 ILE HA   H  1   4.1493  0.03 . 1 . . . . 85 ILE HA   . 19165 1 
      883 . 1 1 85 85 ILE HB   H  1   1.8660  0.03 . 1 . . . . 85 ILE HB   . 19165 1 
      884 . 1 1 85 85 ILE HG12 H  1   1.2376  0.03 . 2 . . . . 85 ILE HG12 . 19165 1 
      885 . 1 1 85 85 ILE HG13 H  1   1.1311  0.03 . 2 . . . . 85 ILE HG13 . 19165 1 
      886 . 1 1 85 85 ILE HG21 H  1   0.7646  0.03 . 1 . . . . 85 ILE HG21 . 19165 1 
      887 . 1 1 85 85 ILE HG22 H  1   0.7646  0.03 . 1 . . . . 85 ILE HG21 . 19165 1 
      888 . 1 1 85 85 ILE HG23 H  1   0.7646  0.03 . 1 . . . . 85 ILE HG21 . 19165 1 
      889 . 1 1 85 85 ILE HD11 H  1   0.4613  0.03 . 1 . . . . 85 ILE HD11 . 19165 1 
      890 . 1 1 85 85 ILE HD12 H  1   0.4613  0.03 . 1 . . . . 85 ILE HD11 . 19165 1 
      891 . 1 1 85 85 ILE HD13 H  1   0.4613  0.03 . 1 . . . . 85 ILE HD11 . 19165 1 
      892 . 1 1 85 85 ILE C    C 13 176.9533  0.3  . 1 . . . . 85 ILE C    . 19165 1 
      893 . 1 1 85 85 ILE CA   C 13  62.0762  0.3  . 1 . . . . 85 ILE CA   . 19165 1 
      894 . 1 1 85 85 ILE CB   C 13  38.3225  0.3  . 1 . . . . 85 ILE CB   . 19165 1 
      895 . 1 1 85 85 ILE CG1  C 13  27.4178  0.3  . 1 . . . . 85 ILE CG1  . 19165 1 
      896 . 1 1 85 85 ILE CG2  C 13  17.7687  0.3  . 1 . . . . 85 ILE CG2  . 19165 1 
      897 . 1 1 85 85 ILE CD1  C 13  13.4059  0.3  . 1 . . . . 85 ILE CD1  . 19165 1 
      898 . 1 1 85 85 ILE N    N 15 114.8176  0.2  . 1 . . . . 85 ILE N    . 19165 1 
      899 . 1 1 86 86 LYS H    H  1   7.7954  0.03 . 1 . . . . 86 LYS HN   . 19165 1 
      900 . 1 1 86 86 LYS HA   H  1   4.1874  0.03 . 1 . . . . 86 LYS HA   . 19165 1 
      901 . 1 1 86 86 LYS HB3  H  1   1.7372  0.03 . 2 . . . . 86 LYS HB3  . 19165 1 
      902 . 1 1 86 86 LYS HG2  H  1   1.3263  0.03 . 2 . . . . 86 LYS HG1  . 19165 1 
      903 . 1 1 86 86 LYS HD2  H  1   1.5752  0.03 . 2 . . . . 86 LYS HD2  . 19165 1 
      904 . 1 1 86 86 LYS HE2  H  1   2.8128  0.03 . 2 . . . . 86 LYS HE1  . 19165 1 
      905 . 1 1 86 86 LYS C    C 13 176.5854  0.3  . 1 . . . . 86 LYS C    . 19165 1 
      906 . 1 1 86 86 LYS CA   C 13  56.4780  0.3  . 1 . . . . 86 LYS CA   . 19165 1 
      907 . 1 1 86 86 LYS CB   C 13  32.4391  0.3  . 1 . . . . 86 LYS CB   . 19165 1 
      908 . 1 1 86 86 LYS CG   C 13  24.3284  0.3  . 1 . . . . 86 LYS CG   . 19165 1 
      909 . 1 1 86 86 LYS CD   C 13  28.8487  0.3  . 1 . . . . 86 LYS CD   . 19165 1 
      910 . 1 1 86 86 LYS CE   C 13  42.1513  0.3  . 1 . . . . 86 LYS CE   . 19165 1 
      911 . 1 1 86 86 LYS N    N 15 122.5463  0.2  . 1 . . . . 86 LYS N    . 19165 1 
      912 . 1 1 87 87 LYS H    H  1   7.9643  0.03 . 1 . . . . 87 LYS HN   . 19165 1 
      913 . 1 1 87 87 LYS HA   H  1   4.2930  0.03 . 1 . . . . 87 LYS HA   . 19165 1 
      914 . 1 1 87 87 LYS HB3  H  1   1.8102  0.03 . 2 . . . . 87 LYS HB3  . 19165 1 
      915 . 1 1 87 87 LYS HG2  H  1   1.4114  0.03 . 2 . . . . 87 LYS HG1  . 19165 1 
      916 . 1 1 87 87 LYS HD2  H  1   1.6428  0.03 . 2 . . . . 87 LYS HD2  . 19165 1 
      917 . 1 1 87 87 LYS HE2  H  1   2.9614  0.03 . 2 . . . . 87 LYS HE1  . 19165 1 
      918 . 1 1 87 87 LYS C    C 13 176.1753  0.3  . 1 . . . . 87 LYS C    . 19165 1 
      919 . 1 1 87 87 LYS CA   C 13  56.5221  0.3  . 1 . . . . 87 LYS CA   . 19165 1 
      920 . 1 1 87 87 LYS CB   C 13  33.0376  0.3  . 1 . . . . 87 LYS CB   . 19165 1 
      921 . 1 1 87 87 LYS CG   C 13  24.3764  0.3  . 1 . . . . 87 LYS CG   . 19165 1 
      922 . 1 1 87 87 LYS CD   C 13  28.9372  0.3  . 1 . . . . 87 LYS CD   . 19165 1 
      923 . 1 1 87 87 LYS CE   C 13  42.2458  0.3  . 1 . . . . 87 LYS CE   . 19165 1 
      924 . 1 1 87 87 LYS N    N 15 121.4015  0.2  . 1 . . . . 87 LYS N    . 19165 1 
      925 . 1 1 88 88 ASP H    H  1   8.2146  0.03 . 1 . . . . 88 ASP HN   . 19165 1 
      926 . 1 1 88 88 ASP HA   H  1   4.6295  0.03 . 1 . . . . 88 ASP HA   . 19165 1 
      927 . 1 1 88 88 ASP HB2  H  1   2.7578  0.03 . 2 . . . . 88 ASP HB2  . 19165 1 
      928 . 1 1 88 88 ASP HB3  H  1   2.5733  0.03 . 2 . . . . 88 ASP HB3  . 19165 1 
      929 . 1 1 88 88 ASP C    C 13 175.0786  0.3  . 1 . . . . 88 ASP C    . 19165 1 
      930 . 1 1 88 88 ASP CA   C 13  54.5054  0.3  . 1 . . . . 88 ASP CA   . 19165 1 
      931 . 1 1 88 88 ASP CB   C 13  40.9974  0.3  . 1 . . . . 88 ASP CB   . 19165 1 
      932 . 1 1 88 88 ASP N    N 15 120.9453  0.2  . 1 . . . . 88 ASP N    . 19165 1 
      933 . 1 1 89 89 MET H    H  1   7.7506  0.03 . 1 . . . . 89 MET HN   . 19165 1 
      934 . 1 1 89 89 MET HA   H  1   4.2332  0.03 . 1 . . . . 89 MET HA   . 19165 1 
      935 . 1 1 89 89 MET HB2  H  1   2.0774  0.03 . 2 . . . . 89 MET HB2  . 19165 1 
      936 . 1 1 89 89 MET HB3  H  1   1.9347  0.03 . 2 . . . . 89 MET HB3  . 19165 1 
      937 . 1 1 89 89 MET HG2  H  1   2.5192  0.03 . 2 . . . . 89 MET HG2  . 19165 1 
      938 . 1 1 89 89 MET HG3  H  1   2.4804  0.03 . 2 . . . . 89 MET HG3  . 19165 1 
      939 . 1 1 89 89 MET CA   C 13  57.2007  0.3  . 1 . . . . 89 MET CA   . 19165 1 
      940 . 1 1 89 89 MET CB   C 13  34.0181  0.3  . 1 . . . . 89 MET CB   . 19165 1 
      941 . 1 1 89 89 MET CG   C 13  32.3230  0.3  . 1 . . . . 89 MET CG   . 19165 1 
      942 . 1 1 89 89 MET N    N 15 124.9108  0.2  . 1 . . . . 89 MET N    . 19165 1 

   stop_

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