data_15129

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

save_entry_information
   _Entry.Sf_category                    entry_information
   _Entry.Sf_framecode                   entry_information
   _Entry.ID                             15129
   _Entry.Title                         
;
Solution structure of the first SH3 domain of human Vinexin and its interaction with the peptides from Vinculin
;
   _Entry.Type                           macromolecule
   _Entry.Version_type                   original
   _Entry.Submission_date                2007-02-02
   _Entry.Accession_date                 2007-02-02
   _Entry.Last_release_date              2007-05-21
   _Entry.Original_release_date          2007-05-21
   _Entry.Origination                    author
   _Entry.NMR_STAR_version               3.1.1.61
   _Entry.Original_NMR_STAR_version      .
   _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 J. Zhang J. . . 15129 
      2 B. Yao   B. . . 15129 
      3 J. Wu    J. . . 15129 
      4 Y. Shi   Y. . . 15129 

   stop_

   loop_
      _Struct_keywords.Keywords
      _Struct_keywords.Text
      _Struct_keywords.Entry_ID

      'Vinexin SH3 domain' 'Vinexin SH3 domain' 15129 

   stop_

   loop_
      _Data_set.Type
      _Data_set.Count
      _Data_set.Entry_ID

      assigned_chemical_shifts 1 15129 

   stop_

   loop_
      _Datum.Type
      _Datum.Count
      _Datum.Entry_ID

      '13C chemical shifts' 242 15129 
      '15N chemical shifts'  58 15129 
      '1H chemical shifts'  410 15129 

   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 . . 2007-05-21 2007-02-02 original author . 15129 

   stop_

save_


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

save_citations
   _Citation.Sf_category                  citations
   _Citation.Sf_framecode                 citations
   _Citation.Entry_ID                     15129
   _Citation.ID                           1
   _Citation.Class                       'entry citation'
   _Citation.CAS_abstract_code            .
   _Citation.MEDLINE_UI_code              .
   _Citation.DOI                          .
   _Citation.PubMed_ID                    17467669
   _Citation.Full_citation                .
   _Citation.Title                       'Solution structure of the first SH3 domain of human Vinexin and its interaction with the vinculin peptides'
   _Citation.Status                       published
   _Citation.Type                         journal
   _Citation.Journal_abbrev              'Biochem. Biophys. Res. Commun.'
   _Citation.Journal_name_full            .
   _Citation.Journal_volume               357
   _Citation.Journal_issue                4
   _Citation.Journal_ASTM                 .
   _Citation.Journal_ISSN                 .
   _Citation.Journal_CSD                  0353
   _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                   931
   _Citation.Page_last                    937
   _Citation.Year                         2007
   _Citation.Details                      .

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

      1 J. Zhang J. . . 15129 1 
      2 B. Yao   B. . . 15129 1 
      3 J. Wu    J. . . 15129 1 
      4 Y. Shi   Y. . . 15129 1 

   stop_

   loop_
      _Citation_keyword.Keyword
      _Citation_keyword.Entry_ID
      _Citation_keyword.Citation_ID

      SH3     15129 1 
      Vinexin 15129 1 

   stop_

save_


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

save_assembly
   _Assembly.Sf_category                       assembly
   _Assembly.Sf_framecode                      assembly
   _Assembly.Entry_ID                          15129
   _Assembly.ID                                1
   _Assembly.Name                              SH3
   _Assembly.BMRB_code                         .
   _Assembly.Number_of_components              1
   _Assembly.Organic_ligands                   .
   _Assembly.Metal_ions                        .
   _Assembly.Non_standard_bonds                .
   _Assembly.Ambiguous_conformational_states   .
   _Assembly.Ambiguous_chem_comp_sites         .
   _Assembly.Molecules_in_chemical_exchange    .
   _Assembly.Paramagnetic                      no
   _Assembly.Thiol_state                       .
   _Assembly.Molecular_mass                    .
   _Assembly.Enzyme_commission_number          .
   _Assembly.Details                           .
   _Assembly.DB_query_date                     .
   _Assembly.DB_query_revised_last_date        .

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

      1 SH3 1 $Vinexin A . yes native no no . . . 15129 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 2NWM . . 'solution NMR' . . . 15129 1 

   stop_

save_


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

save_Vinexin
   _Entity.Sf_category                       entity
   _Entity.Sf_framecode                      Vinexin
   _Entity.Entry_ID                          15129
   _Entity.ID                                1
   _Entity.BMRB_code                         .
   _Entity.Name                              Vinexin
   _Entity.Type                              polymer
   _Entity.Polymer_common_type               .
   _Entity.Polymer_type                      polypeptide(L)
   _Entity.Polymer_type_details              .
   _Entity.Polymer_strand_ID                 A
   _Entity.Polymer_seq_one_letter_code_can   .
   _Entity.Polymer_seq_one_letter_code      
;
MKAARLKFDFQAQSPKELTL
QKGDIVYIHKEVDKNWLEGE
HHGRLGIFPANYVEVLPLEH
HHHHH
;
   _Entity.Target_identifier                 .
   _Entity.Polymer_author_defined_seq        .
   _Entity.Polymer_author_seq_details        .
   _Entity.Ambiguous_conformational_states   no
   _Entity.Ambiguous_chem_comp_sites         no
   _Entity.Nstd_monomer                      no
   _Entity.Nstd_chirality                    no
   _Entity.Nstd_linkage                      no
   _Entity.Nonpolymer_comp_ID                .
   _Entity.Nonpolymer_comp_label             .
   _Entity.Number_of_monomers                65
   _Entity.Number_of_nonpolymer_components   .
   _Entity.Paramagnetic                      no
   _Entity.Thiol_state                      'all free'
   _Entity.Src_method                        man
   _Entity.Parent_entity_ID                  .
   _Entity.Fragment                         'SH3 domain'
   _Entity.Mutation                          .
   _Entity.EC_number                         .
   _Entity.Calc_isoelectric_point            .
   _Entity.Formula_weight                    .
   _Entity.Formula_weight_exptl              .
   _Entity.Formula_weight_exptl_meth         .
   _Entity.Details                           .
   _Entity.DB_query_date                     .
   _Entity.DB_query_revised_last_date        2015-11-26

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

      1 no BMRB        11242 . "SH3 domain, residues 8-62"                                                                                       . . . . .  84.62 68 100.00 100.00 8.12e-32 . . . . 15129 1 
      2 no PDB  2DLM          . "Solution Structure Of The First Sh3 Domain Of Human Vinexin"                                                     . . . . .  84.62 68 100.00 100.00 8.12e-32 . . . . 15129 1 
      3 no PDB  2NWM          . "Solution Structure Of The First Sh3 Domain Of Human Vinexin And Its Interaction With The Peptides From Vinculin" . . . . . 100.00 65 100.00 100.00 9.54e-39 . . . . 15129 1 
      4 no REF  XP_004332006  . "PREDICTED: vinexin-like, partial [Tursiops truncatus]"                                                           . . . . .  81.54 93  98.11 100.00 1.58e-29 . . . . 15129 1 

   stop_

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

       3D-structure                                                                           SWS-KEYWORD 15129 1 
      'Alternative splicing'                                                                  SWS-KEYWORD 15129 1 
      'Cell adhesion'                                                                         SWS-KEYWORD 15129 1 
       Cytoskeleton                                                                           SWS-KEYWORD 15129 1 
       Phosphorylation                                                                        SWS-KEYWORD 15129 1 
       Repeat                                                                                 SWS-KEYWORD 15129 1 
       SCAM-1                                                                                 SWS-SYNONYM 15129 1 
      'SH3-containing adapter molecule 1'                                                     SWS-SYNONYM 15129 1 
      'SH3 domain'                                                                            SWS-KEYWORD 15129 1 
      'Sorbin and SH3 domain-containing protein 3'                                            SWS-SYNONYM 15129 1 
      'Sorbin and SH3 domain-containing protein 3, SH3-containing adapter molecule 1, SCAM-1' .           15129 1 
       Vinexin                                                                                RCSB_NAME   15129 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  0 MET . 15129 1 
       2  1 LYS . 15129 1 
       3  2 ALA . 15129 1 
       4  3 ALA . 15129 1 
       5  4 ARG . 15129 1 
       6  5 LEU . 15129 1 
       7  6 LYS . 15129 1 
       8  7 PHE . 15129 1 
       9  8 ASP . 15129 1 
      10  9 PHE . 15129 1 
      11 10 GLN . 15129 1 
      12 11 ALA . 15129 1 
      13 12 GLN . 15129 1 
      14 13 SER . 15129 1 
      15 14 PRO . 15129 1 
      16 15 LYS . 15129 1 
      17 16 GLU . 15129 1 
      18 17 LEU . 15129 1 
      19 18 THR . 15129 1 
      20 19 LEU . 15129 1 
      21 20 GLN . 15129 1 
      22 21 LYS . 15129 1 
      23 22 GLY . 15129 1 
      24 23 ASP . 15129 1 
      25 24 ILE . 15129 1 
      26 25 VAL . 15129 1 
      27 26 TYR . 15129 1 
      28 27 ILE . 15129 1 
      29 28 HIS . 15129 1 
      30 29 LYS . 15129 1 
      31 30 GLU . 15129 1 
      32 31 VAL . 15129 1 
      33 32 ASP . 15129 1 
      34 33 LYS . 15129 1 
      35 34 ASN . 15129 1 
      36 35 TRP . 15129 1 
      37 36 LEU . 15129 1 
      38 37 GLU . 15129 1 
      39 38 GLY . 15129 1 
      40 39 GLU . 15129 1 
      41 40 HIS . 15129 1 
      42 41 HIS . 15129 1 
      43 42 GLY . 15129 1 
      44 43 ARG . 15129 1 
      45 44 LEU . 15129 1 
      46 45 GLY . 15129 1 
      47 46 ILE . 15129 1 
      48 47 PHE . 15129 1 
      49 48 PRO . 15129 1 
      50 49 ALA . 15129 1 
      51 50 ASN . 15129 1 
      52 51 TYR . 15129 1 
      53 52 VAL . 15129 1 
      54 53 GLU . 15129 1 
      55 54 VAL . 15129 1 
      56 55 LEU . 15129 1 
      57 56 PRO . 15129 1 
      58 57 LEU . 15129 1 
      59 58 GLU . 15129 1 
      60 59 HIS . 15129 1 
      61 60 HIS . 15129 1 
      62 61 HIS . 15129 1 
      63 62 HIS . 15129 1 
      64 63 HIS . 15129 1 
      65 64 HIS . 15129 1 

   stop_

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

      . MET  1  1 15129 1 
      . LYS  2  2 15129 1 
      . ALA  3  3 15129 1 
      . ALA  4  4 15129 1 
      . ARG  5  5 15129 1 
      . LEU  6  6 15129 1 
      . LYS  7  7 15129 1 
      . PHE  8  8 15129 1 
      . ASP  9  9 15129 1 
      . PHE 10 10 15129 1 
      . GLN 11 11 15129 1 
      . ALA 12 12 15129 1 
      . GLN 13 13 15129 1 
      . SER 14 14 15129 1 
      . PRO 15 15 15129 1 
      . LYS 16 16 15129 1 
      . GLU 17 17 15129 1 
      . LEU 18 18 15129 1 
      . THR 19 19 15129 1 
      . LEU 20 20 15129 1 
      . GLN 21 21 15129 1 
      . LYS 22 22 15129 1 
      . GLY 23 23 15129 1 
      . ASP 24 24 15129 1 
      . ILE 25 25 15129 1 
      . VAL 26 26 15129 1 
      . TYR 27 27 15129 1 
      . ILE 28 28 15129 1 
      . HIS 29 29 15129 1 
      . LYS 30 30 15129 1 
      . GLU 31 31 15129 1 
      . VAL 32 32 15129 1 
      . ASP 33 33 15129 1 
      . LYS 34 34 15129 1 
      . ASN 35 35 15129 1 
      . TRP 36 36 15129 1 
      . LEU 37 37 15129 1 
      . GLU 38 38 15129 1 
      . GLY 39 39 15129 1 
      . GLU 40 40 15129 1 
      . HIS 41 41 15129 1 
      . HIS 42 42 15129 1 
      . GLY 43 43 15129 1 
      . ARG 44 44 15129 1 
      . LEU 45 45 15129 1 
      . GLY 46 46 15129 1 
      . ILE 47 47 15129 1 
      . PHE 48 48 15129 1 
      . PRO 49 49 15129 1 
      . ALA 50 50 15129 1 
      . ASN 51 51 15129 1 
      . TYR 52 52 15129 1 
      . VAL 53 53 15129 1 
      . GLU 54 54 15129 1 
      . VAL 55 55 15129 1 
      . LEU 56 56 15129 1 
      . PRO 57 57 15129 1 
      . LEU 58 58 15129 1 
      . GLU 59 59 15129 1 
      . HIS 60 60 15129 1 
      . HIS 61 61 15129 1 
      . HIS 62 62 15129 1 
      . HIS 63 63 15129 1 
      . HIS 64 64 15129 1 
      . HIS 65 65 15129 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       15129
   _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 $Vinexin . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . Vinexin . . . . 15129 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       15129
   _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 $Vinexin . 'recombinant technology' 'Escherichia coli' bacteria . . . . BL21(DE3) . . . . . . . . . . . . . . . PET22b(+) . . . . . . 15129 1 

   stop_

save_


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

save_sample_1
   _Sample.Sf_category                      sample
   _Sample.Sf_framecode                     sample_1
   _Sample.Entry_ID                         15129
   _Sample.ID                               1
   _Sample.Type                             solution
   _Sample.Sub_type                         .
   _Sample.Details                         
;
1-1.2mM 15N, 13C-labeled human Vinexin SH3 domain; 50mM phosphate buffer(pH 6.2); 50mM  
NaCl; 1mM DTT; 1mM EDTA; 90% H2O, 10% D2O
;
   _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  Vinexin           '[U-100% 13C; U-100% 15N]' . . 1 $Vinexin . .  1.2 1 1.2 mM . . . . 15129 1 
      2 'phosphate buffer' 'natural abundance'        . .  .  .       . . 50    .  .  mM . . . . 15129 1 
      3  NaCl              'natural abundance'        . .  .  .       . . 50    .  .  mM . . . . 15129 1 
      4  DTT               'natural abundance'        . .  .  .       . .  1    .  .  mM . . . . 15129 1 
      5  EDTA              'natural abundance'        . .  .  .       . .  1    .  .  mM . . . . 15129 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       15129
   _Sample_condition_list.ID             1
   _Sample_condition_list.Details        .

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

      pH            6.2 . pH  15129 1 
      pressure      1   . atm 15129 1 
      temperature 298   . K   15129 1 

   stop_

save_


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

save_NMRPipe
   _Software.Sf_category    software
   _Software.Sf_framecode   NMRPipe
   _Software.Entry_ID       15129
   _Software.ID             1
   _Software.Name           NMRPipe
   _Software.Version        2.2
   _Software.Details        .

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

      'Delaglio, F.' . . 15129 1 

   stop_

   loop_
      _Task.Task
      _Task.Entry_ID
      _Task.Software_ID

      processing 15129 1 

   stop_

save_


save_Sparky
   _Software.Sf_category    software
   _Software.Sf_framecode   Sparky
   _Software.Entry_ID       15129
   _Software.ID             2
   _Software.Name           SPARKY
   _Software.Version        3
   _Software.Details        .

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

      'Goddard, T.D., Kneller, D.G.' . . 15129 2 

   stop_

   loop_
      _Task.Task
      _Task.Entry_ID
      _Task.Software_ID

      'data analysis' 15129 2 

   stop_

save_


save_CNSSOLVE
   _Software.Sf_category    software
   _Software.Sf_framecode   CNSSOLVE
   _Software.Entry_ID       15129
   _Software.ID             3
   _Software.Name           CNSSOLVE
   _Software.Version        1.1
   _Software.Details        .

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

      'Brunger, Adams, Clore, Gros, Nilges and Read' . . 15129 3 

   stop_

   loop_
      _Task.Task
      _Task.Entry_ID
      _Task.Software_ID

      'structure solution' 15129 3 

   stop_

save_


save_MOLMOL
   _Software.Sf_category    software
   _Software.Sf_framecode   MOLMOL
   _Software.Entry_ID       15129
   _Software.ID             4
   _Software.Name           Molmol
   _Software.Version        2K.2
   _Software.Details        .

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

      Koradi . . 15129 4 

   stop_

   loop_
      _Task.Task
      _Task.Entry_ID
      _Task.Software_ID

      'data analysis' 15129 4 

   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         15129
   _NMR_spectrometer.ID               1
   _NMR_spectrometer.Details          .
   _NMR_spectrometer.Manufacturer     Bruker
   _NMR_spectrometer.Model            AVANCE
   _NMR_spectrometer.Serial_number    .
   _NMR_spectrometer.Field_strength   600

save_


save_600
   _NMR_spectrometer_list.Sf_category    NMR_spectrometer_list
   _NMR_spectrometer_list.Sf_framecode   600
   _NMR_spectrometer_list.Entry_ID       15129
   _NMR_spectrometer_list.ID             1

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

      1 spectrometer_1 Bruker AVANCE . 600 . . . 15129 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       15129
   _Experiment_list.ID             1
   _Experiment_list.Details        .

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

      1 3D_15N-separated_NOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15129 1 
      2 3D_13C-separated_NOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15129 1 

   stop_

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       15129
   _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 water protons . . . . ppm 4.81 internal indirect 0.101329118 . . . . . . . . . 15129 1 
      H  1 water protons . . . . ppm 4.81 internal direct   1.0         . . . . . . . . . 15129 1 
      N 15 water protons . . . . ppm 4.81 internal indirect 0.251449530 . . . . . . . . . 15129 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                      15129
   _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 3D_15N-separated_NOESY . . . 15129 1 
      2 3D_13C-separated_NOESY . . . 15129 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  2  2 LYS HA   H  1   4.556 0.01 . 1 . . . .  1 K HA   . 15129 1 
        2 . 1 1  2  2 LYS HB2  H  1   1.805 0.01 . 1 . . . .  1 K HB2  . 15129 1 
        3 . 1 1  2  2 LYS HB3  H  1   1.721 0.01 . 1 . . . .  1 K HB3  . 15129 1 
        4 . 1 1  2  2 LYS HG2  H  1   1.403 0.01 . 1 . . . .  1 K HG2  . 15129 1 
        5 . 1 1  2  2 LYS HG3  H  1   1.469 0.01 . 1 . . . .  1 K HG3  . 15129 1 
        6 . 1 1  2  2 LYS HD2  H  1   1.66  0.01 . 1 . . . .  1 K HD2  . 15129 1 
        7 . 1 1  2  2 LYS HD3  H  1   1.619 0.01 . 1 . . . .  1 K HD3  . 15129 1 
        8 . 1 1  2  2 LYS HE2  H  1   2.893 0.01 . 1 . . . .  1 K HE2  . 15129 1 
        9 . 1 1  2  2 LYS HE3  H  1   2.893 0.01 . 1 . . . .  1 K HE3  . 15129 1 
       10 . 1 1  2  2 LYS C    C 13 174.453 0.1  . 1 . . . .  1 K CO   . 15129 1 
       11 . 1 1  2  2 LYS CA   C 13  56.026 0.1  . 1 . . . .  1 K CA   . 15129 1 
       12 . 1 1  2  2 LYS CB   C 13  34.466 0.1  . 1 . . . .  1 K CB   . 15129 1 
       13 . 1 1  2  2 LYS CG   C 13  24.799 0.1  . 1 . . . .  1 K CG   . 15129 1 
       14 . 1 1  2  2 LYS CD   C 13  29.306 0.1  . 1 . . . .  1 K CD   . 15129 1 
       15 . 1 1  2  2 LYS CE   C 13  41.912 0.1  . 1 . . . .  1 K CE   . 15129 1 
       16 . 1 1  3  3 ALA H    H  1   8.754 0.01 . 1 . . . .  2 A HN   . 15129 1 
       17 . 1 1  3  3 ALA HA   H  1   4.909 0.01 . 1 . . . .  2 A HA   . 15129 1 
       18 . 1 1  3  3 ALA HB1  H  1   1.148 0.01 . 1 . . . .  2 A HB   . 15129 1 
       19 . 1 1  3  3 ALA HB2  H  1   1.148 0.01 . 1 . . . .  2 A HB   . 15129 1 
       20 . 1 1  3  3 ALA HB3  H  1   1.148 0.01 . 1 . . . .  2 A HB   . 15129 1 
       21 . 1 1  3  3 ALA C    C 13 176.356 0.1  . 1 . . . .  2 A CO   . 15129 1 
       22 . 1 1  3  3 ALA CA   C 13  50.675 0.1  . 1 . . . .  2 A CA   . 15129 1 
       23 . 1 1  3  3 ALA CB   C 13  21.259 0.1  . 1 . . . .  2 A CB   . 15129 1 
       24 . 1 1  3  3 ALA N    N 15 127.001 0.1  . 1 . . . .  2 A N    . 15129 1 
       25 . 1 1  4  4 ALA H    H  1   8.927 0.01 . 1 . . . .  3 A HN   . 15129 1 
       26 . 1 1  4  4 ALA HA   H  1   4.876 0.01 . 1 . . . .  3 A HA   . 15129 1 
       27 . 1 1  4  4 ALA HB1  H  1   0.992 0.01 . 1 . . . .  3 A HB   . 15129 1 
       28 . 1 1  4  4 ALA HB2  H  1   0.992 0.01 . 1 . . . .  3 A HB   . 15129 1 
       29 . 1 1  4  4 ALA HB3  H  1   0.992 0.01 . 1 . . . .  3 A HB   . 15129 1 
       30 . 1 1  4  4 ALA C    C 13 173.278 0.1  . 1 . . . .  3 A CO   . 15129 1 
       31 . 1 1  4  4 ALA CA   C 13  50.36  0.1  . 1 . . . .  3 A CA   . 15129 1 
       32 . 1 1  4  4 ALA CB   C 13  23.361 0.1  . 1 . . . .  3 A CB   . 15129 1 
       33 . 1 1  4  4 ALA N    N 15 122.139 0.1  . 1 . . . .  3 A N    . 15129 1 
       34 . 1 1  5  5 ARG H    H  1   8.685 0.01 . 1 . . . .  4 R HN   . 15129 1 
       35 . 1 1  5  5 ARG HA   H  1   5.272 0.01 . 1 . . . .  4 R HA   . 15129 1 
       36 . 1 1  5  5 ARG HB2  H  1   1.365 0.01 . 1 . . . .  4 R HB2  . 15129 1 
       37 . 1 1  5  5 ARG HB3  H  1   1.638 0.01 . 1 . . . .  4 R HB3  . 15129 1 
       38 . 1 1  5  5 ARG HG2  H  1   1.318 0.01 . 1 . . . .  4 R HG2  . 15129 1 
       39 . 1 1  5  5 ARG HG3  H  1   1.342 0.01 . 1 . . . .  4 R HG3  . 15129 1 
       40 . 1 1  5  5 ARG HD2  H  1   3.061 0.01 . 1 . . . .  4 R HD2  . 15129 1 
       41 . 1 1  5  5 ARG HD3  H  1   3.086 0.01 . 1 . . . .  4 R HD3  . 15129 1 
       42 . 1 1  5  5 ARG C    C 13 176.207 0.1  . 1 . . . .  4 R CO   . 15129 1 
       43 . 1 1  5  5 ARG CA   C 13  53.107 0.1  . 1 . . . .  4 R CA   . 15129 1 
       44 . 1 1  5  5 ARG CB   C 13  33.959 0.1  . 1 . . . .  4 R CB   . 15129 1 
       45 . 1 1  5  5 ARG CG   C 13  27.016 0.1  . 1 . . . .  4 R CG   . 15129 1 
       46 . 1 1  5  5 ARG CD   C 13  43.386 0.1  . 1 . . . .  4 R CD   . 15129 1 
       47 . 1 1  5  5 ARG N    N 15 119.759 0.1  . 1 . . . .  4 R N    . 15129 1 
       48 . 1 1  6  6 LEU H    H  1   8.732 0.01 . 1 . . . .  5 L HN   . 15129 1 
       49 . 1 1  6  6 LEU HA   H  1   4.317 0.01 . 1 . . . .  5 L HA   . 15129 1 
       50 . 1 1  6  6 LEU HB2  H  1   2.051 0.01 . 1 . . . .  5 L HB2  . 15129 1 
       51 . 1 1  6  6 LEU HB3  H  1   1.716 0.01 . 1 . . . .  5 L HB3  . 15129 1 
       52 . 1 1  6  6 LEU HG   H  1   1.761 0.01 . 1 . . . .  5 L HG   . 15129 1 
       53 . 1 1  6  6 LEU HD11 H  1   0.367 0.01 . 1 . . . .  5 L HD1  . 15129 1 
       54 . 1 1  6  6 LEU HD12 H  1   0.367 0.01 . 1 . . . .  5 L HD1  . 15129 1 
       55 . 1 1  6  6 LEU HD13 H  1   0.367 0.01 . 1 . . . .  5 L HD1  . 15129 1 
       56 . 1 1  6  6 LEU HD21 H  1   0.926 0.01 . 1 . . . .  5 L HD2  . 15129 1 
       57 . 1 1  6  6 LEU HD22 H  1   0.926 0.01 . 1 . . . .  5 L HD2  . 15129 1 
       58 . 1 1  6  6 LEU HD23 H  1   0.926 0.01 . 1 . . . .  5 L HD2  . 15129 1 
       59 . 1 1  6  6 LEU C    C 13 179.044 0.1  . 1 . . . .  5 L CO   . 15129 1 
       60 . 1 1  6  6 LEU CA   C 13  52.674 0.1  . 1 . . . .  5 L CA   . 15129 1 
       61 . 1 1  6  6 LEU CB   C 13  39.692 0.1  . 1 . . . .  5 L CB   . 15129 1 
       62 . 1 1  6  6 LEU CG   C 13  28.113 0.1  . 1 . . . .  5 L CG   . 15129 1 
       63 . 1 1  6  6 LEU CD1  C 13  22.485 0.1  . 1 . . . .  5 L CD1  . 15129 1 
       64 . 1 1  6  6 LEU CD2  C 13  22.314 0.1  . 1 . . . .  5 L CD2  . 15129 1 
       65 . 1 1  6  6 LEU N    N 15 130.022 0.1  . 1 . . . .  5 L N    . 15129 1 
       66 . 1 1  7  7 LYS H    H  1   9.253 0.01 . 1 . . . .  6 K HN   . 15129 1 
       67 . 1 1  7  7 LYS HA   H  1   3.642 0.01 . 1 . . . .  6 K HA   . 15129 1 
       68 . 1 1  7  7 LYS HB2  H  1   0.55  0.01 . 1 . . . .  6 K HB2  . 15129 1 
       69 . 1 1  7  7 LYS HB3  H  1   0.732 0.01 . 1 . . . .  6 K HB3  . 15129 1 
       70 . 1 1  7  7 LYS HG2  H  1   0.928 0.01 . 1 . . . .  6 K HG2  . 15129 1 
       71 . 1 1  7  7 LYS HG3  H  1   1.007 0.01 . 1 . . . .  6 K HG3  . 15129 1 
       72 . 1 1  7  7 LYS HD2  H  1   1.285 0.01 . 1 . . . .  6 K HD2  . 15129 1 
       73 . 1 1  7  7 LYS HD3  H  1   1.285 0.01 . 1 . . . .  6 K HD3  . 15129 1 
       74 . 1 1  7  7 LYS HE2  H  1   2.522 0.01 . 1 . . . .  6 K HE2  . 15129 1 
       75 . 1 1  7  7 LYS HE3  H  1   2.578 0.01 . 1 . . . .  6 K HE3  . 15129 1 
       76 . 1 1  7  7 LYS C    C 13 174.21  0.1  . 1 . . . .  6 K CO   . 15129 1 
       77 . 1 1  7  7 LYS CA   C 13  57.371 0.1  . 1 . . . .  6 K CA   . 15129 1 
       78 . 1 1  7  7 LYS CB   C 13  32.971 0.1  . 1 . . . .  6 K CB   . 15129 1 
       79 . 1 1  7  7 LYS CG   C 13  25.128 0.1  . 1 . . . .  6 K CG   . 15129 1 
       80 . 1 1  7  7 LYS CD   C 13  29.059 0.1  . 1 . . . .  6 K CD   . 15129 1 
       81 . 1 1  7  7 LYS CE   C 13  41.324 0.1  . 1 . . . .  6 K CE   . 15129 1 
       82 . 1 1  7  7 LYS N    N 15 123.894 0.1  . 1 . . . .  6 K N    . 15129 1 
       83 . 1 1  8  8 PHE H    H  1   6.809 0.01 . 1 . . . .  7 F HN   . 15129 1 
       84 . 1 1  8  8 PHE HA   H  1   4.759 0.01 . 1 . . . .  7 F HA   . 15129 1 
       85 . 1 1  8  8 PHE HB2  H  1   2.232 0.01 . 1 . . . .  7 F HB2  . 15129 1 
       86 . 1 1  8  8 PHE HB3  H  1   3.214 0.01 . 1 . . . .  7 F HB3  . 15129 1 
       87 . 1 1  8  8 PHE HD1  H  1   7.015 0.01 . 1 . . . .  7 F HD1  . 15129 1 
       88 . 1 1  8  8 PHE HD2  H  1   7.059 0.01 . 1 . . . .  7 F HD2  . 15129 1 
       89 . 1 1  8  8 PHE HE1  H  1   6.608 0.01 . 1 . . . .  7 F HE1  . 15129 1 
       90 . 1 1  8  8 PHE HE2  H  1   6.608 0.01 . 1 . . . .  7 F HE2  . 15129 1 
       91 . 1 1  8  8 PHE C    C 13 173.35  0.1  . 1 . . . .  7 F CO   . 15129 1 
       92 . 1 1  8  8 PHE CA   C 13  53.247 0.1  . 1 . . . .  7 F CA   . 15129 1 
       93 . 1 1  8  8 PHE CB   C 13  43.195 0.1  . 1 . . . .  7 F CB   . 15129 1 
       94 . 1 1  8  8 PHE N    N 15 111.4   0.1  . 1 . . . .  7 F N    . 15129 1 
       95 . 1 1  9  9 ASP H    H  1   8.302 0.01 . 1 . . . .  8 D HN   . 15129 1 
       96 . 1 1  9  9 ASP HA   H  1   4.498 0.01 . 1 . . . .  8 D HA   . 15129 1 
       97 . 1 1  9  9 ASP HB2  H  1   2.811 0.01 . 1 . . . .  8 D HB2  . 15129 1 
       98 . 1 1  9  9 ASP HB3  H  1   2.545 0.01 . 1 . . . .  8 D HB3  . 15129 1 
       99 . 1 1  9  9 ASP C    C 13 175.525 0.1  . 1 . . . .  8 D CO   . 15129 1 
      100 . 1 1  9  9 ASP CA   C 13  54.864 0.1  . 1 . . . .  8 D CA   . 15129 1 
      101 . 1 1  9  9 ASP CB   C 13  41.464 0.1  . 1 . . . .  8 D CB   . 15129 1 
      102 . 1 1  9  9 ASP N    N 15 117.449 0.1  . 1 . . . .  8 D N    . 15129 1 
      103 . 1 1 10 10 PHE H    H  1   8.888 0.01 . 1 . . . .  9 F HN   . 15129 1 
      104 . 1 1 10 10 PHE HA   H  1   4.952 0.01 . 1 . . . .  9 F HA   . 15129 1 
      105 . 1 1 10 10 PHE HB2  H  1   2.709 0.01 . 1 . . . .  9 F HB2  . 15129 1 
      106 . 1 1 10 10 PHE HB3  H  1   3.111 0.01 . 1 . . . .  9 F HB3  . 15129 1 
      107 . 1 1 10 10 PHE HD1  H  1   6.98  0.01 . 1 . . . .  9 F HD1  . 15129 1 
      108 . 1 1 10 10 PHE HD2  H  1   7.016 0.01 . 1 . . . .  9 F HD2  . 15129 1 
      109 . 1 1 10 10 PHE C    C 13 174.26  0.1  . 1 . . . .  9 F CO   . 15129 1 
      110 . 1 1 10 10 PHE CA   C 13  57.435 0.1  . 1 . . . .  9 F CA   . 15129 1 
      111 . 1 1 10 10 PHE CB   C 13  42.412 0.1  . 1 . . . .  9 F CB   . 15129 1 
      112 . 1 1 10 10 PHE N    N 15 121.315 0.1  . 1 . . . .  9 F N    . 15129 1 
      113 . 1 1 11 11 GLN H    H  1   7.941 0.01 . 1 . . . . 10 Q HN   . 15129 1 
      114 . 1 1 11 11 GLN HA   H  1   4.222 0.01 . 1 . . . . 10 Q HA   . 15129 1 
      115 . 1 1 11 11 GLN HB2  H  1   1.732 0.01 . 1 . . . . 10 Q HB2  . 15129 1 
      116 . 1 1 11 11 GLN HB3  H  1   1.78  0.01 . 1 . . . . 10 Q HB3  . 15129 1 
      117 . 1 1 11 11 GLN HG2  H  1   2.079 0.01 . 1 . . . . 10 Q HG2  . 15129 1 
      118 . 1 1 11 11 GLN HG3  H  1   2.142 0.01 . 1 . . . . 10 Q HG3  . 15129 1 
      119 . 1 1 11 11 GLN HE21 H  1   6.721 0.01 . 1 . . . . 10 Q HE21 . 15129 1 
      120 . 1 1 11 11 GLN HE22 H  1   7.61  0.01 . 1 . . . . 10 Q HE22 . 15129 1 
      121 . 1 1 11 11 GLN C    C 13 173.57  0.1  . 1 . . . . 10 Q CO   . 15129 1 
      122 . 1 1 11 11 GLN CA   C 13  53.568 0.1  . 1 . . . . 10 Q CA   . 15129 1 
      123 . 1 1 11 11 GLN CB   C 13  29.159 0.1  . 1 . . . . 10 Q CB   . 15129 1 
      124 . 1 1 11 11 GLN CG   C 13  33.34  0.1  . 1 . . . . 10 Q CG   . 15129 1 
      125 . 1 1 11 11 GLN N    N 15 127.505 0.1  . 1 . . . . 10 Q N    . 15129 1 
      126 . 1 1 11 11 GLN NE2  N 15 112.256 0.1  . 1 . . . . 10 Q NE   . 15129 1 
      127 . 1 1 12 12 ALA H    H  1   7.794 0.01 . 1 . . . . 11 A HN   . 15129 1 
      128 . 1 1 12 12 ALA HA   H  1   3.951 0.01 . 1 . . . . 11 A HA   . 15129 1 
      129 . 1 1 12 12 ALA HB1  H  1   1.23  0.01 . 1 . . . . 11 A HB   . 15129 1 
      130 . 1 1 12 12 ALA HB2  H  1   1.23  0.01 . 1 . . . . 11 A HB   . 15129 1 
      131 . 1 1 12 12 ALA HB3  H  1   1.23  0.01 . 1 . . . . 11 A HB   . 15129 1 
      132 . 1 1 12 12 ALA C    C 13 179.123 0.1  . 1 . . . . 11 A CO   . 15129 1 
      133 . 1 1 12 12 ALA CA   C 13  52.86  0.1  . 1 . . . . 11 A CA   . 15129 1 
      134 . 1 1 12 12 ALA CB   C 13  21.497 0.1  . 1 . . . . 11 A CB   . 15129 1 
      135 . 1 1 12 12 ALA N    N 15 128.085 0.1  . 1 . . . . 11 A N    . 15129 1 
      136 . 1 1 13 13 GLN H    H  1   9.249 0.01 . 1 . . . . 12 Q HN   . 15129 1 
      137 . 1 1 13 13 GLN HA   H  1   4.37  0.01 . 1 . . . . 12 Q HA   . 15129 1 
      138 . 1 1 13 13 GLN HB2  H  1   2.036 0.01 . 1 . . . . 12 Q HB2  . 15129 1 
      139 . 1 1 13 13 GLN HB3  H  1   2.247 0.01 . 1 . . . . 12 Q HB3  . 15129 1 
      140 . 1 1 13 13 GLN HG2  H  1   2.264 0.01 . 1 . . . . 12 Q HG2  . 15129 1 
      141 . 1 1 13 13 GLN HG3  H  1   2.404 0.01 . 1 . . . . 12 Q HG3  . 15129 1 
      142 . 1 1 13 13 GLN HE21 H  1   6.7   0.01 . 1 . . . . 12 Q HE21 . 15129 1 
      143 . 1 1 13 13 GLN HE22 H  1   7.521 0.01 . 1 . . . . 12 Q HE22 . 15129 1 
      144 . 1 1 13 13 GLN C    C 13 175.061 0.1  . 1 . . . . 12 Q CO   . 15129 1 
      145 . 1 1 13 13 GLN CA   C 13  54.918 0.1  . 1 . . . . 12 Q CA   . 15129 1 
      146 . 1 1 13 13 GLN CB   C 13  30.164 0.1  . 1 . . . . 12 Q CB   . 15129 1 
      147 . 1 1 13 13 GLN CG   C 13  33.941 0.1  . 1 . . . . 12 Q CG   . 15129 1 
      148 . 1 1 13 13 GLN N    N 15 119.741 0.1  . 1 . . . . 12 Q N    . 15129 1 
      149 . 1 1 13 13 GLN NE2  N 15 113.107 0.1  . 1 . . . . 12 Q NE   . 15129 1 
      150 . 1 1 14 14 SER H    H  1   7.553 0.01 . 1 . . . . 13 S HN   . 15129 1 
      151 . 1 1 14 14 SER HA   H  1   4.844 0.01 . 1 . . . . 13 S HA   . 15129 1 
      152 . 1 1 14 14 SER HB2  H  1   3.977 0.01 . 1 . . . . 13 S HB2  . 15129 1 
      153 . 1 1 14 14 SER HB3  H  1   3.635 0.01 . 1 . . . . 13 S HB3  . 15129 1 
      154 . 1 1 14 14 SER C    C 13 173.578 0.1  . 1 . . . . 13 S CO   . 15129 1 
      155 . 1 1 14 14 SER CA   C 13  56.155 0.1  . 1 . . . . 13 S CA   . 15129 1 
      156 . 1 1 14 14 SER CB   C 13  64.277 0.1  . 1 . . . . 13 S CB   . 15129 1 
      157 . 1 1 14 14 SER N    N 15 115.739 0.1  . 1 . . . . 13 S N    . 15129 1 
      158 . 1 1 15 15 PRO HA   H  1   4.436 0.01 . 1 . . . . 14 P HA   . 15129 1 
      159 . 1 1 15 15 PRO HB2  H  1   1.886 0.01 . 1 . . . . 14 P HB2  . 15129 1 
      160 . 1 1 15 15 PRO HB3  H  1   2.387 0.01 . 1 . . . . 14 P HB3  . 15129 1 
      161 . 1 1 15 15 PRO HG2  H  1   1.979 0.01 . 1 . . . . 14 P HG2  . 15129 1 
      162 . 1 1 15 15 PRO HG3  H  1   1.979 0.01 . 1 . . . . 14 P HG3  . 15129 1 
      163 . 1 1 15 15 PRO HD2  H  1   3.808 0.01 . 1 . . . . 14 P HD2  . 15129 1 
      164 . 1 1 15 15 PRO HD3  H  1   3.725 0.01 . 1 . . . . 14 P HD3  . 15129 1 
      165 . 1 1 15 15 PRO CA   C 13  64.883 0.1  . 1 . . . . 14 P CA   . 15129 1 
      166 . 1 1 15 15 PRO CB   C 13  32.263 0.1  . 1 . . . . 14 P CB   . 15129 1 
      167 . 1 1 15 15 PRO CG   C 13  27.503 0.1  . 1 . . . . 14 P CG   . 15129 1 
      168 . 1 1 15 15 PRO CD   C 13  23.162 0.1  . 1 . . . . 14 P CD   . 15129 1 
      169 . 1 1 16 16 LYS H    H  1   7.704 0.01 . 1 . . . . 15 K HN   . 15129 1 
      170 . 1 1 16 16 LYS HA   H  1   4.236 0.01 . 1 . . . . 15 K HA   . 15129 1 
      171 . 1 1 16 16 LYS HB2  H  1   1.618 0.01 . 1 . . . . 15 K HB2  . 15129 1 
      172 . 1 1 16 16 LYS HB3  H  1   1.722 0.01 . 1 . . . . 15 K HB3  . 15129 1 
      173 . 1 1 16 16 LYS HG2  H  1   1.288 0.01 . 1 . . . . 15 K HG2  . 15129 1 
      174 . 1 1 16 16 LYS HG3  H  1   1.352 0.01 . 1 . . . . 15 K HG3  . 15129 1 
      175 . 1 1 16 16 LYS HD2  H  1   1.499 0.01 . 1 . . . . 15 K HD2  . 15129 1 
      176 . 1 1 16 16 LYS HD3  H  1   1.499 0.01 . 1 . . . . 15 K HD3  . 15129 1 
      177 . 1 1 16 16 LYS HE2  H  1   2.785 0.01 . 1 . . . . 15 K HE2  . 15129 1 
      178 . 1 1 16 16 LYS HE3  H  1   2.785 0.01 . 1 . . . . 15 K HE3  . 15129 1 
      179 . 1 1 16 16 LYS C    C 13 177.14  0.1  . 1 . . . . 15 K CO   . 15129 1 
      180 . 1 1 16 16 LYS CA   C 13  56.739 0.1  . 1 . . . . 15 K CA   . 15129 1 
      181 . 1 1 16 16 LYS CB   C 13  32.803 0.1  . 1 . . . . 15 K CB   . 15129 1 
      182 . 1 1 16 16 LYS CG   C 13  24.937 0.1  . 1 . . . . 15 K CG   . 15129 1 
      183 . 1 1 16 16 LYS CD   C 13  28.783 0.1  . 1 . . . . 15 K CD   . 15129 1 
      184 . 1 1 16 16 LYS CE   C 13  41.662 0.1  . 1 . . . . 15 K CE   . 15129 1 
      185 . 1 1 16 16 LYS N    N 15 113.913 0.1  . 1 . . . . 15 K N    . 15129 1 
      186 . 1 1 17 17 GLU H    H  1   7.472 0.01 . 1 . . . . 16 E HN   . 15129 1 
      187 . 1 1 17 17 GLU HA   H  1   4.806 0.01 . 1 . . . . 16 E HA   . 15129 1 
      188 . 1 1 17 17 GLU HB2  H  1   2.397 0.01 . 1 . . . . 16 E HB2  . 15129 1 
      189 . 1 1 17 17 GLU HB3  H  1   2.226 0.01 . 1 . . . . 16 E HB3  . 15129 1 
      190 . 1 1 17 17 GLU HG2  H  1   2.232 0.01 . 1 . . . . 16 E HG2  . 15129 1 
      191 . 1 1 17 17 GLU HG3  H  1   1.943 0.01 . 1 . . . . 16 E HG3  . 15129 1 
      192 . 1 1 17 17 GLU C    C 13 173.928 0.1  . 1 . . . . 16 E CO   . 15129 1 
      193 . 1 1 17 17 GLU CA   C 13  55.289 0.1  . 1 . . . . 16 E CA   . 15129 1 
      194 . 1 1 17 17 GLU CB   C 13  32.339 0.1  . 1 . . . . 16 E CB   . 15129 1 
      195 . 1 1 17 17 GLU CG   C 13  36.893 0.1  . 1 . . . . 16 E CG   . 15129 1 
      196 . 1 1 17 17 GLU N    N 15 119.372 0.1  . 1 . . . . 16 E N    . 15129 1 
      197 . 1 1 18 18 LEU H    H  1   8.523 0.01 . 1 . . . . 17 L HN   . 15129 1 
      198 . 1 1 18 18 LEU HA   H  1   4.585 0.01 . 1 . . . . 17 L HA   . 15129 1 
      199 . 1 1 18 18 LEU HB2  H  1   1.319 0.01 . 1 . . . . 17 L HB2  . 15129 1 
      200 . 1 1 18 18 LEU HB3  H  1   1.607 0.01 . 1 . . . . 17 L HB3  . 15129 1 
      201 . 1 1 18 18 LEU HG   H  1   1.405 0.01 . 1 . . . . 17 L HG   . 15129 1 
      202 . 1 1 18 18 LEU HD11 H  1   0.848 0.01 . 1 . . . . 17 L HD1  . 15129 1 
      203 . 1 1 18 18 LEU HD12 H  1   0.848 0.01 . 1 . . . . 17 L HD1  . 15129 1 
      204 . 1 1 18 18 LEU HD13 H  1   0.848 0.01 . 1 . . . . 17 L HD1  . 15129 1 
      205 . 1 1 18 18 LEU HD21 H  1   0.788 0.01 . 1 . . . . 17 L HD2  . 15129 1 
      206 . 1 1 18 18 LEU HD22 H  1   0.788 0.01 . 1 . . . . 17 L HD2  . 15129 1 
      207 . 1 1 18 18 LEU HD23 H  1   0.788 0.01 . 1 . . . . 17 L HD2  . 15129 1 
      208 . 1 1 18 18 LEU C    C 13 174.31  0.1  . 1 . . . . 17 L CO   . 15129 1 
      209 . 1 1 18 18 LEU CA   C 13  53.235 0.1  . 1 . . . . 17 L CA   . 15129 1 
      210 . 1 1 18 18 LEU CB   C 13  44.76  0.1  . 1 . . . . 17 L CB   . 15129 1 
      211 . 1 1 18 18 LEU CG   C 13  26.863 0.1  . 1 . . . . 17 L CG   . 15129 1 
      212 . 1 1 18 18 LEU CD1  C 13  25.057 0.1  . 1 . . . . 17 L CD1  . 15129 1 
      213 . 1 1 18 18 LEU CD2  C 13  24.447 0.1  . 1 . . . . 17 L CD2  . 15129 1 
      214 . 1 1 18 18 LEU N    N 15 122.739 0.1  . 1 . . . . 17 L N    . 15129 1 
      215 . 1 1 19 19 THR H    H  1   7.967 0.01 . 1 . . . . 18 T HN   . 15129 1 
      216 . 1 1 19 19 THR HA   H  1   4.671 0.01 . 1 . . . . 18 T HA   . 15129 1 
      217 . 1 1 19 19 THR HB   H  1   3.97  0.01 . 1 . . . . 18 T HB   . 15129 1 
      218 . 1 1 19 19 THR HG21 H  1   1.247 0.01 . 1 . . . . 18 T HG2  . 15129 1 
      219 . 1 1 19 19 THR HG22 H  1   1.247 0.01 . 1 . . . . 18 T HG2  . 15129 1 
      220 . 1 1 19 19 THR HG23 H  1   1.247 0.01 . 1 . . . . 18 T HG2  . 15129 1 
      221 . 1 1 19 19 THR C    C 13 175.257 0.1  . 1 . . . . 18 T CO   . 15129 1 
      222 . 1 1 19 19 THR CA   C 13  63.441 0.1  . 1 . . . . 18 T CA   . 15129 1 
      223 . 1 1 19 19 THR CB   C 13  69.207 0.1  . 1 . . . . 18 T CB   . 15129 1 
      224 . 1 1 19 19 THR CG2  C 13  22.681 0.1  . 1 . . . . 18 T CG2  . 15129 1 
      225 . 1 1 19 19 THR N    N 15 119.344 0.1  . 1 . . . . 18 T N    . 15129 1 
      226 . 1 1 20 20 LEU H    H  1   9.363 0.01 . 1 . . . . 19 L HN   . 15129 1 
      227 . 1 1 20 20 LEU HA   H  1   4.54  0.01 . 1 . . . . 19 L HA   . 15129 1 
      228 . 1 1 20 20 LEU HB2  H  1   1.417 0.01 . 1 . . . . 19 L HB2  . 15129 1 
      229 . 1 1 20 20 LEU HB3  H  1   1.283 0.01 . 1 . . . . 19 L HB3  . 15129 1 
      230 . 1 1 20 20 LEU HG   H  1   1.382 0.01 . 1 . . . . 19 L HG   . 15129 1 
      231 . 1 1 20 20 LEU HD11 H  1   0.183 0.01 . 1 . . . . 19 L HD1  . 15129 1 
      232 . 1 1 20 20 LEU HD12 H  1   0.183 0.01 . 1 . . . . 19 L HD1  . 15129 1 
      233 . 1 1 20 20 LEU HD13 H  1   0.183 0.01 . 1 . . . . 19 L HD1  . 15129 1 
      234 . 1 1 20 20 LEU HD21 H  1   0.304 0.01 . 1 . . . . 19 L HD2  . 15129 1 
      235 . 1 1 20 20 LEU HD22 H  1   0.304 0.01 . 1 . . . . 19 L HD2  . 15129 1 
      236 . 1 1 20 20 LEU HD23 H  1   0.304 0.01 . 1 . . . . 19 L HD2  . 15129 1 
      237 . 1 1 20 20 LEU C    C 13 174.794 0.1  . 1 . . . . 19 L CO   . 15129 1 
      238 . 1 1 20 20 LEU CA   C 13  53.603 0.1  . 1 . . . . 19 L CA   . 15129 1 
      239 . 1 1 20 20 LEU CB   C 13  48.464 0.1  . 1 . . . . 19 L CB   . 15129 1 
      240 . 1 1 20 20 LEU CG   C 13  25.959 0.1  . 1 . . . . 19 L CG   . 15129 1 
      241 . 1 1 20 20 LEU CD1  C 13  22.836 0.1  . 1 . . . . 19 L CD1  . 15129 1 
      242 . 1 1 20 20 LEU CD2  C 13  26.386 0.1  . 1 . . . . 19 L CD2  . 15129 1 
      243 . 1 1 20 20 LEU N    N 15 129.931 0.1  . 1 . . . . 19 L N    . 15129 1 
      244 . 1 1 21 21 GLN H    H  1   9.123 0.01 . 1 . . . . 20 Q HN   . 15129 1 
      245 . 1 1 21 21 GLN HA   H  1   4.809 0.01 . 1 . . . . 20 Q HA   . 15129 1 
      246 . 1 1 21 21 GLN HB2  H  1   1.895 0.01 . 1 . . . . 20 Q HB2  . 15129 1 
      247 . 1 1 21 21 GLN HB3  H  1   1.794 0.01 . 1 . . . . 20 Q HB3  . 15129 1 
      248 . 1 1 21 21 GLN HG2  H  1   2.23  0.01 . 1 . . . . 20 Q HG2  . 15129 1 
      249 . 1 1 21 21 GLN HG3  H  1   2.23  0.01 . 1 . . . . 20 Q HG3  . 15129 1 
      250 . 1 1 21 21 GLN HE21 H  1   6.734 0.01 . 1 . . . . 20 Q HE21 . 15129 1 
      251 . 1 1 21 21 GLN HE22 H  1   7.422 0.01 . 1 . . . . 20 Q HE22 . 15129 1 
      252 . 1 1 21 21 GLN C    C 13 177.018 0.1  . 1 . . . . 20 Q CO   . 15129 1 
      253 . 1 1 21 21 GLN CA   C 13  53.392 0.1  . 1 . . . . 20 Q CA   . 15129 1 
      254 . 1 1 21 21 GLN CB   C 13  32.078 0.1  . 1 . . . . 20 Q CB   . 15129 1 
      255 . 1 1 21 21 GLN CG   C 13  34.809 0.1  . 1 . . . . 20 Q CG   . 15129 1 
      256 . 1 1 21 21 GLN N    N 15 122.534 0.1  . 1 . . . . 20 Q N    . 15129 1 
      257 . 1 1 21 21 GLN NE2  N 15 129.253 0.1  . 1 . . . . 20 Q NE2  . 15129 1 
      258 . 1 1 22 22 LYS H    H  1   9.101 0.01 . 1 . . . . 21 K HN   . 15129 1 
      259 . 1 1 22 22 LYS HA   H  1   3.131 0.01 . 1 . . . . 21 K HA   . 15129 1 
      260 . 1 1 22 22 LYS HB2  H  1   1.411 0.01 . 1 . . . . 21 K HB2  . 15129 1 
      261 . 1 1 22 22 LYS HB3  H  1   1.526 0.01 . 1 . . . . 21 K HB3  . 15129 1 
      262 . 1 1 22 22 LYS HG2  H  1   0.981 0.01 . 1 . . . . 21 K HG2  . 15129 1 
      263 . 1 1 22 22 LYS HG3  H  1   0.981 0.01 . 1 . . . . 21 K HG3  . 15129 1 
      264 . 1 1 22 22 LYS HD2  H  1   1.566 0.01 . 1 . . . . 21 K HD2  . 15129 1 
      265 . 1 1 22 22 LYS HD3  H  1   1.566 0.01 . 1 . . . . 21 K HD3  . 15129 1 
      266 . 1 1 22 22 LYS HE2  H  1   2.837 0.01 . 1 . . . . 21 K HE2  . 15129 1 
      267 . 1 1 22 22 LYS HE3  H  1   2.837 0.01 . 1 . . . . 21 K HE3  . 15129 1 
      268 . 1 1 22 22 LYS C    C 13 177.019 0.1  . 1 . . . . 21 K CO   . 15129 1 
      269 . 1 1 22 22 LYS CA   C 13  58.593 0.1  . 1 . . . . 21 K CA   . 15129 1 
      270 . 1 1 22 22 LYS CB   C 13  32.198 0.1  . 1 . . . . 21 K CB   . 15129 1 
      271 . 1 1 22 22 LYS CG   C 13  24.289 0.1  . 1 . . . . 21 K CG   . 15129 1 
      272 . 1 1 22 22 LYS CD   C 13  29.495 0.1  . 1 . . . . 21 K CD   . 15129 1 
      273 . 1 1 22 22 LYS CE   C 13  41.68  0.1  . 1 . . . . 21 K CE   . 15129 1 
      274 . 1 1 22 22 LYS N    N 15 122.156 0.1  . 1 . . . . 21 K N    . 15129 1 
      275 . 1 1 23 23 GLY H    H  1   8.691 0.01 . 1 . . . . 22 G HN   . 15129 1 
      276 . 1 1 23 23 GLY HA2  H  1   4.376 0.01 . 1 . . . . 22 G HA2  . 15129 1 
      277 . 1 1 23 23 GLY HA3  H  1   3.272 0.01 . 1 . . . . 22 G HA3  . 15129 1 
      278 . 1 1 23 23 GLY C    C 13 174.169 0.1  . 1 . . . . 22 G CO   . 15129 1 
      279 . 1 1 23 23 GLY CA   C 13  44.762 0.1  . 1 . . . . 22 G CA   . 15129 1 
      280 . 1 1 23 23 GLY N    N 15 115.46  0.1  . 1 . . . . 22 G N    . 15129 1 
      281 . 1 1 24 24 ASP H    H  1   8.408 0.01 . 1 . . . . 23 D HN   . 15129 1 
      282 . 1 1 24 24 ASP HA   H  1   4.445 0.01 . 1 . . . . 23 D HA   . 15129 1 
      283 . 1 1 24 24 ASP HB2  H  1   1.781 0.01 . 1 . . . . 23 D HB2  . 15129 1 
      284 . 1 1 24 24 ASP HB3  H  1   2.489 0.01 . 1 . . . . 23 D HB3  . 15129 1 
      285 . 1 1 24 24 ASP C    C 13 174.815 0.1  . 1 . . . . 23 D CO   . 15129 1 
      286 . 1 1 24 24 ASP CA   C 13  55.627 0.1  . 1 . . . . 23 D CA   . 15129 1 
      287 . 1 1 24 24 ASP CB   C 13  41.168 0.1  . 1 . . . . 23 D CB   . 15129 1 
      288 . 1 1 24 24 ASP N    N 15 122.889 0.1  . 1 . . . . 23 D N    . 15129 1 
      289 . 1 1 25 25 ILE H    H  1   8.393 0.01 . 1 . . . . 24 I HN   . 15129 1 
      290 . 1 1 25 25 ILE HA   H  1   4.882 0.01 . 1 . . . . 24 I HA   . 15129 1 
      291 . 1 1 25 25 ILE HB   H  1   1.795 0.01 . 1 . . . . 24 I HB   . 15129 1 
      292 . 1 1 25 25 ILE HG12 H  1   1.215 0.01 . 1 . . . . 24 I HG12 . 15129 1 
      293 . 1 1 25 25 ILE HG13 H  1   1.456 0.01 . 1 . . . . 24 I HG13 . 15129 1 
      294 . 1 1 25 25 ILE HG21 H  1   0.661 0.01 . 1 . . . . 24 I HG2  . 15129 1 
      295 . 1 1 25 25 ILE HG22 H  1   0.661 0.01 . 1 . . . . 24 I HG2  . 15129 1 
      296 . 1 1 25 25 ILE HG23 H  1   0.661 0.01 . 1 . . . . 24 I HG2  . 15129 1 
      297 . 1 1 25 25 ILE HD11 H  1   0.492 0.01 . 1 . . . . 24 I HD1  . 15129 1 
      298 . 1 1 25 25 ILE HD12 H  1   0.492 0.01 . 1 . . . . 24 I HD1  . 15129 1 
      299 . 1 1 25 25 ILE HD13 H  1   0.492 0.01 . 1 . . . . 24 I HD1  . 15129 1 
      300 . 1 1 25 25 ILE C    C 13 176.118 0.1  . 1 . . . . 24 I CO   . 15129 1 
      301 . 1 1 25 25 ILE CA   C 13  58.433 0.1  . 1 . . . . 24 I CA   . 15129 1 
      302 . 1 1 25 25 ILE CB   C 13  37.308 0.1  . 1 . . . . 24 I CB   . 15129 1 
      303 . 1 1 25 25 ILE CG1  C 13  27.058 0.1  . 1 . . . . 24 I CG1  . 15129 1 
      304 . 1 1 25 25 ILE CG2  C 13  39.016 0.1  . 1 . . . . 24 I CG2  . 15129 1 
      305 . 1 1 25 25 ILE CD1  C 13  44.596 0.1  . 1 . . . . 24 I CD1  . 15129 1 
      306 . 1 1 25 25 ILE N    N 15 119.983 0.1  . 1 . . . . 24 I N    . 15129 1 
      307 . 1 1 26 26 VAL H    H  1   8.803 0.01 . 1 . . . . 25 V HN   . 15129 1 
      308 . 1 1 26 26 VAL HA   H  1   4.784 0.01 . 1 . . . . 25 V HA   . 15129 1 
      309 . 1 1 26 26 VAL HB   H  1   1.508 0.01 . 1 . . . . 25 V HB   . 15129 1 
      310 . 1 1 26 26 VAL HG11 H  1   0.273 0.01 . 1 . . . . 25 V HG1  . 15129 1 
      311 . 1 1 26 26 VAL HG12 H  1   0.273 0.01 . 1 . . . . 25 V HG1  . 15129 1 
      312 . 1 1 26 26 VAL HG13 H  1   0.273 0.01 . 1 . . . . 25 V HG1  . 15129 1 
      313 . 1 1 26 26 VAL HG21 H  1   0.207 0.01 . 1 . . . . 25 V HG2  . 15129 1 
      314 . 1 1 26 26 VAL HG22 H  1   0.207 0.01 . 1 . . . . 25 V HG2  . 15129 1 
      315 . 1 1 26 26 VAL HG23 H  1   0.207 0.01 . 1 . . . . 25 V HG2  . 15129 1 
      316 . 1 1 26 26 VAL C    C 13 173.274 0.1  . 1 . . . . 25 V CO   . 15129 1 
      317 . 1 1 26 26 VAL CA   C 13  57.778 0.1  . 1 . . . . 25 V CA   . 15129 1 
      318 . 1 1 26 26 VAL CB   C 13  34.738 0.1  . 1 . . . . 25 V CB   . 15129 1 
      319 . 1 1 26 26 VAL CG1  C 13  47.411 0.1  . 1 . . . . 25 V CG1  . 15129 1 
      320 . 1 1 26 26 VAL CG2  C 13  22.033 0.1  . 1 . . . . 25 V CG2  . 15129 1 
      321 . 1 1 26 26 VAL N    N 15 122.04  0.1  . 1 . . . . 25 V N    . 15129 1 
      322 . 1 1 27 27 TYR H    H  1   8.224 0.01 . 1 . . . . 26 Y HN   . 15129 1 
      323 . 1 1 27 27 TYR HA   H  1   5.126 0.01 . 1 . . . . 26 Y HA   . 15129 1 
      324 . 1 1 27 27 TYR HB2  H  1   2.941 0.01 . 1 . . . . 26 Y HB2  . 15129 1 
      325 . 1 1 27 27 TYR HB3  H  1   2.791 0.01 . 1 . . . . 26 Y HB3  . 15129 1 
      326 . 1 1 27 27 TYR HD1  H  1   6.872 0.01 . 1 . . . . 26 Y HD1  . 15129 1 
      327 . 1 1 27 27 TYR HD2  H  1   6.793 0.01 . 1 . . . . 26 Y HD2  . 15129 1 
      328 . 1 1 27 27 TYR HE1  H  1   6.324 0.01 . 1 . . . . 26 Y HE1  . 15129 1 
      329 . 1 1 27 27 TYR HE2  H  1   6.324 0.01 . 1 . . . . 26 Y HE2  . 15129 1 
      330 . 1 1 27 27 TYR C    C 13 176.425 0.1  . 1 . . . . 26 Y CO   . 15129 1 
      331 . 1 1 27 27 TYR CA   C 13  56.615 0.1  . 1 . . . . 26 Y CA   . 15129 1 
      332 . 1 1 27 27 TYR CB   C 13  39.627 0.1  . 1 . . . . 26 Y CB   . 15129 1 
      333 . 1 1 27 27 TYR CG   C 13 129.934 0.1  . 1 . . . . 26 Y CG   . 15129 1 
      334 . 1 1 27 27 TYR N    N 15 119.494 0.1  . 1 . . . . 26 Y N    . 15129 1 
      335 . 1 1 28 28 ILE H    H  1   9.254 0.01 . 1 . . . . 27 I HN   . 15129 1 
      336 . 1 1 28 28 ILE HA   H  1   3.95  0.01 . 1 . . . . 27 I HA   . 15129 1 
      337 . 1 1 28 28 ILE HB   H  1   2.013 0.01 . 1 . . . . 27 I HB   . 15129 1 
      338 . 1 1 28 28 ILE HG12 H  1   1.023 0.01 . 1 . . . . 27 I HG12 . 15129 1 
      339 . 1 1 28 28 ILE HG13 H  1   1.646 0.01 . 1 . . . . 27 I HG13 . 15129 1 
      340 . 1 1 28 28 ILE HG21 H  1   0.865 0.01 . 1 . . . . 27 I HG2  . 15129 1 
      341 . 1 1 28 28 ILE HG22 H  1   0.865 0.01 . 1 . . . . 27 I HG2  . 15129 1 
      342 . 1 1 28 28 ILE HG23 H  1   0.865 0.01 . 1 . . . . 27 I HG2  . 15129 1 
      343 . 1 1 28 28 ILE HD11 H  1   0.781 0.01 . 1 . . . . 27 I HD1  . 15129 1 
      344 . 1 1 28 28 ILE HD12 H  1   0.781 0.01 . 1 . . . . 27 I HD1  . 15129 1 
      345 . 1 1 28 28 ILE HD13 H  1   0.781 0.01 . 1 . . . . 27 I HD1  . 15129 1 
      346 . 1 1 28 28 ILE CA   C 13  62.745 0.1  . 1 . . . . 27 I CA   . 15129 1 
      347 . 1 1 28 28 ILE CB   C 13  39.245 0.1  . 1 . . . . 27 I CB   . 15129 1 
      348 . 1 1 28 28 ILE CG1  C 13  28.022 0.1  . 1 . . . . 27 I CG1  . 15129 1 
      349 . 1 1 28 28 ILE CG2  C 13  45.983 0.1  . 1 . . . . 27 I CG2  . 15129 1 
      350 . 1 1 28 28 ILE CD1  C 13  42.581 0.1  . 1 . . . . 27 I CD1  . 15129 1 
      351 . 1 1 28 28 ILE N    N 15 124.407 0.1  . 1 . . . . 27 I N    . 15129 1 
      352 . 1 1 29 29 HIS H    H  1   9.946 0.01 . 1 . . . . 28 H NH   . 15129 1 
      353 . 1 1 29 29 HIS HA   H  1   4.843 0.01 . 1 . . . . 28 H HA   . 15129 1 
      354 . 1 1 29 29 HIS HB2  H  1   3.004 0.01 . 1 . . . . 28 H HB2  . 15129 1 
      355 . 1 1 29 29 HIS HB3  H  1   3.16  0.01 . 1 . . . . 28 H HB3  . 15129 1 
      356 . 1 1 29 29 HIS C    C 13 175.099 0.1  . 1 . . . . 28 H CO   . 15129 1 
      357 . 1 1 29 29 HIS CA   C 13  56.836 0.1  . 1 . . . . 28 H CA   . 15129 1 
      358 . 1 1 29 29 HIS CB   C 13  31.416 0.1  . 1 . . . . 28 H CB   . 15129 1 
      359 . 1 1 29 29 HIS N    N 15 126.633 0.01 . 1 . . . . 28 H N    . 15129 1 
      360 . 1 1 29 29 HIS HD1  H  1   9.83  0.01 . 1 . . . . 28 H ND1  . 15129 1 
      361 . 1 1 30 30 LYS H    H  1   7.97  0.01 . 1 . . . . 29 K HN   . 15129 1 
      362 . 1 1 30 30 LYS HA   H  1   4.581 0.01 . 1 . . . . 29 K HA   . 15129 1 
      363 . 1 1 30 30 LYS HB2  H  1   1.992 0.01 . 1 . . . . 29 K HB2  . 15129 1 
      364 . 1 1 30 30 LYS HB3  H  1   1.701 0.01 . 1 . . . . 29 K HB3  . 15129 1 
      365 . 1 1 30 30 LYS HG2  H  1   0.991 0.01 . 1 . . . . 29 K HG2  . 15129 1 
      366 . 1 1 30 30 LYS HG3  H  1   1.247 0.01 . 1 . . . . 29 K HG3  . 15129 1 
      367 . 1 1 30 30 LYS HD2  H  1   1.563 0.01 . 1 . . . . 29 K HD2  . 15129 1 
      368 . 1 1 30 30 LYS HD3  H  1   1.563 0.01 . 1 . . . . 29 K HD3  . 15129 1 
      369 . 1 1 30 30 LYS HE2  H  1   2.814 0.01 . 1 . . . . 29 K HE2  . 15129 1 
      370 . 1 1 30 30 LYS HE3  H  1   2.814 0.01 . 1 . . . . 29 K HE3  . 15129 1 
      371 . 1 1 30 30 LYS C    C 13 173.82  0.1  . 1 . . . . 29 K CO   . 15129 1 
      372 . 1 1 30 30 LYS CA   C 13  55.55  0.1  . 1 . . . . 29 K CA   . 15129 1 
      373 . 1 1 30 30 LYS CB   C 13  34.713 0.1  . 1 . . . . 29 K CB   . 15129 1 
      374 . 1 1 30 30 LYS CG   C 13  23.532 0.1  . 1 . . . . 29 K CG   . 15129 1 
      375 . 1 1 30 30 LYS CD   C 13  29.276 0.1  . 1 . . . . 29 K CD   . 15129 1 
      376 . 1 1 30 30 LYS CE   C 13  41.761 0.1  . 1 . . . . 29 K CE   . 15129 1 
      377 . 1 1 30 30 LYS N    N 15 113.746 0.1  . 1 . . . . 29 K N    . 15129 1 
      378 . 1 1 31 31 GLU H    H  1   8.613 0.01 . 1 . . . . 30 E HN   . 15129 1 
      379 . 1 1 31 31 GLU HA   H  1   4.485 0.01 . 1 . . . . 30 E HA   . 15129 1 
      380 . 1 1 31 31 GLU HB2  H  1   1.883 0.01 . 1 . . . . 30 E HB2  . 15129 1 
      381 . 1 1 31 31 GLU HB3  H  1   1.883 0.01 . 1 . . . . 30 E HB3  . 15129 1 
      382 . 1 1 31 31 GLU HG2  H  1   2.03  0.01 . 1 . . . . 30 E HG2  . 15129 1 
      383 . 1 1 31 31 GLU HG3  H  1   2.107 0.01 . 1 . . . . 30 E HG3  . 15129 1 
      384 . 1 1 31 31 GLU C    C 13 175.176 0.1  . 1 . . . . 30 E CO   . 15129 1 
      385 . 1 1 31 31 GLU CA   C 13  55.99  0.1  . 1 . . . . 30 E CA   . 15129 1 
      386 . 1 1 31 31 GLU CB   C 13  29.559 0.1  . 1 . . . . 30 E CB   . 15129 1 
      387 . 1 1 31 31 GLU CG   C 13  36.187 0.1  . 1 . . . . 30 E CG   . 15129 1 
      388 . 1 1 31 31 GLU N    N 15 120.957 0.1  . 1 . . . . 30 E N    . 15129 1 
      389 . 1 1 32 32 VAL H    H  1   8.393 0.01 . 1 . . . . 31 V HN   . 15129 1 
      390 . 1 1 32 32 VAL HA   H  1   3.794 0.01 . 1 . . . . 31 V HA   . 15129 1 
      391 . 1 1 32 32 VAL HB   H  1   1.847 0.01 . 1 . . . . 31 V HB   . 15129 1 
      392 . 1 1 32 32 VAL HG11 H  1   0.759 0.01 . 1 . . . . 31 V HG1  . 15129 1 
      393 . 1 1 32 32 VAL HG12 H  1   0.759 0.01 . 1 . . . . 31 V HG1  . 15129 1 
      394 . 1 1 32 32 VAL HG13 H  1   0.759 0.01 . 1 . . . . 31 V HG1  . 15129 1 
      395 . 1 1 32 32 VAL HG21 H  1   0.819 0.01 . 1 . . . . 31 V HG2  . 15129 1 
      396 . 1 1 32 32 VAL HG22 H  1   0.819 0.01 . 1 . . . . 31 V HG2  . 15129 1 
      397 . 1 1 32 32 VAL HG23 H  1   0.819 0.01 . 1 . . . . 31 V HG2  . 15129 1 
      398 . 1 1 32 32 VAL C    C 13 175.45  0.1  . 1 . . . . 31 V CO   . 15129 1 
      399 . 1 1 32 32 VAL CA   C 13  64.615 0.1  . 1 . . . . 31 V CA   . 15129 1 
      400 . 1 1 32 32 VAL CB   C 13  32.477 0.1  . 1 . . . . 31 V CB   . 15129 1 
      401 . 1 1 32 32 VAL CG1  C 13  21.828 0.1  . 1 . . . . 31 V CG1  . 15129 1 
      402 . 1 1 32 32 VAL CG2  C 13  48.617 0.1  . 1 . . . . 31 V CG2  . 15129 1 
      403 . 1 1 32 32 VAL N    N 15 125.884 0.1  . 1 . . . . 31 V N    . 15129 1 
      404 . 1 1 33 33 ASP H    H  1   8.291 0.01 . 1 . . . . 32 D HN   . 15129 1 
      405 . 1 1 33 33 ASP HA   H  1   4.384 0.01 . 1 . . . . 32 D HA   . 15129 1 
      406 . 1 1 33 33 ASP HB2  H  1   3.011 0.01 . 1 . . . . 32 D HB2  . 15129 1 
      407 . 1 1 33 33 ASP HB3  H  1   3.011 0.01 . 1 . . . . 32 D HB3  . 15129 1 
      408 . 1 1 33 33 ASP C    C 13 173.993 0.1  . 1 . . . . 32 D CO   . 15129 1 
      409 . 1 1 33 33 ASP CA   C 13  53.306 0.1  . 1 . . . . 32 D CA   . 15129 1 
      410 . 1 1 33 33 ASP CB   C 13  40.318 0.1  . 1 . . . . 32 D CB   . 15129 1 
      411 . 1 1 33 33 ASP N    N 15 118.426 0.1  . 1 . . . . 32 D N    . 15129 1 
      412 . 1 1 34 34 LYS H    H  1   8.149 0.01 . 1 . . . . 33 K HN   . 15129 1 
      413 . 1 1 34 34 LYS HA   H  1   4.002 0.01 . 1 . . . . 33 K HA   . 15129 1 
      414 . 1 1 34 34 LYS HB2  H  1   1.685 0.01 . 1 . . . . 33 K HB2  . 15129 1 
      415 . 1 1 34 34 LYS HB3  H  1   1.732 0.01 . 1 . . . . 33 K HB3  . 15129 1 
      416 . 1 1 34 34 LYS HG2  H  1   1.344 0.01 . 1 . . . . 33 K HG2  . 15129 1 
      417 . 1 1 34 34 LYS HG3  H  1   1.344 0.01 . 1 . . . . 33 K HG3  . 15129 1 
      418 . 1 1 34 34 LYS HD2  H  1   1.595 0.01 . 1 . . . . 33 K HD2  . 15129 1 
      419 . 1 1 34 34 LYS HD3  H  1   1.595 0.01 . 1 . . . . 33 K HD3  . 15129 1 
      420 . 1 1 34 34 LYS HE2  H  1   2.907 0.01 . 1 . . . . 33 K HE2  . 15129 1 
      421 . 1 1 34 34 LYS HE3  H  1   2.907 0.01 . 1 . . . . 33 K HE3  . 15129 1 
      422 . 1 1 34 34 LYS C    C 13 176.779 0.1  . 1 . . . . 33 K CO   . 15129 1 
      423 . 1 1 34 34 LYS CA   C 13  58.412 0.1  . 1 . . . . 33 K CA   . 15129 1 
      424 . 1 1 34 34 LYS CB   C 13  31.814 0.1  . 1 . . . . 33 K CB   . 15129 1 
      425 . 1 1 34 34 LYS CG   C 13  24.314 0.1  . 1 . . . . 33 K CG   . 15129 1 
      426 . 1 1 34 34 LYS CD   C 13  28.736 0.1  . 1 . . . . 33 K CD   . 15129 1 
      427 . 1 1 34 34 LYS CE   C 13  41.861 0.1  . 1 . . . . 33 K CE   . 15129 1 
      428 . 1 1 34 34 LYS N    N 15 114.037 0.1  . 1 . . . . 33 K N    . 15129 1 
      429 . 1 1 35 35 ASN H    H  1   8.72  0.01 . 1 . . . . 34 N HN   . 15129 1 
      430 . 1 1 35 35 ASN HA   H  1   4.651 0.01 . 1 . . . . 34 N HA   . 15129 1 
      431 . 1 1 35 35 ASN HB2  H  1   2.644 0.01 . 1 . . . . 34 N HB2  . 15129 1 
      432 . 1 1 35 35 ASN HB3  H  1   2.304 0.01 . 1 . . . . 34 N HB3  . 15129 1 
      433 . 1 1 35 35 ASN HD21 H  1   6.78  0.01 . 1 . . . . 34 N HD21 . 15129 1 
      434 . 1 1 35 35 ASN HD22 H  1   7.723 0.01 . 1 . . . . 34 N HD22 . 15129 1 
      435 . 1 1 35 35 ASN C    C 13 175.963 0.1  . 1 . . . . 34 N CO   . 15129 1 
      436 . 1 1 35 35 ASN CA   C 13  53.816 0.1  . 1 . . . . 34 N CA   . 15129 1 
      437 . 1 1 35 35 ASN CB   C 13  40.831 0.1  . 1 . . . . 34 N CB   . 15129 1 
      438 . 1 1 35 35 ASN CG   C 13 172.524 0.1  . 1 . . . . 34 N CG   . 15129 1 
      439 . 1 1 35 35 ASN N    N 15 114.458 0.1  . 1 . . . . 34 N N    . 15129 1 
      440 . 1 1 35 35 ASN ND2  N 15 114.135 0.1  . 1 . . . . 34 N ND2  . 15129 1 
      441 . 1 1 36 36 TRP H    H  1   8.159 0.01 . 1 . . . . 35 W HN   . 15129 1 
      442 . 1 1 36 36 TRP HA   H  1   4.757 0.01 . 1 . . . . 35 W HA   . 15129 1 
      443 . 1 1 36 36 TRP HB2  H  1   2.722 0.01 . 1 . . . . 35 W HB2  . 15129 1 
      444 . 1 1 36 36 TRP HB3  H  1   2.787 0.01 . 1 . . . . 35 W HB3  . 15129 1 
      445 . 1 1 36 36 TRP HD1  H  1   6.941 0.01 . 1 . . . . 35 W HD1  . 15129 1 
      446 . 1 1 36 36 TRP HE1  H  1  10.421 0.01 . 1 . . . . 35 W HE1  . 15129 1 
      447 . 1 1 36 36 TRP HE3  H  1   6.832 0.01 . 1 . . . . 35 W HE3  . 15129 1 
      448 . 1 1 36 36 TRP HH2  H  1   6.832 0.01 . 1 . . . . 35 W HH2  . 15129 1 
      449 . 1 1 36 36 TRP C    C 13 173.844 0.1  . 1 . . . . 35 W CO   . 15129 1 
      450 . 1 1 36 36 TRP CA   C 13  57.047 0.1  . 1 . . . . 35 W CA   . 15129 1 
      451 . 1 1 36 36 TRP CB   C 13  32.022 0.1  . 1 . . . . 35 W CB   . 15129 1 
      452 . 1 1 36 36 TRP CG   C 13 108.566 0.1  . 1 . . . . 35 W CG   . 15129 1 
      453 . 1 1 36 36 TRP CD1  C 13 123.723 0.1  . 1 . . . . 35 W CD1  . 15129 1 
      454 . 1 1 36 36 TRP CD2  C 13 123.723 0.1  . 1 . . . . 35 W CD2  . 15129 1 
      455 . 1 1 36 36 TRP N    N 15 122.194 0.1  . 1 . . . . 35 W N    . 15129 1 
      456 . 1 1 36 36 TRP NE1  N 15 129.43  0.1  . 1 . . . . 35 W NE1  . 15129 1 
      457 . 1 1 37 37 LEU H    H  1   8.695 0.01 . 1 . . . . 36 L HN   . 15129 1 
      458 . 1 1 37 37 LEU HA   H  1   4.681 0.01 . 1 . . . . 36 L HA   . 15129 1 
      459 . 1 1 37 37 LEU HB2  H  1   0.878 0.01 . 1 . . . . 36 L HB2  . 15129 1 
      460 . 1 1 37 37 LEU HB3  H  1   0.878 0.01 . 1 . . . . 36 L HB3  . 15129 1 
      461 . 1 1 37 37 LEU HG   H  1   1.245 0.01 . 1 . . . . 36 L HG   . 15129 1 
      462 . 1 1 37 37 LEU HD11 H  1   0.865 0.01 . 1 . . . . 36 L HD1  . 15129 1 
      463 . 1 1 37 37 LEU HD12 H  1   0.865 0.01 . 1 . . . . 36 L HD1  . 15129 1 
      464 . 1 1 37 37 LEU HD13 H  1   0.865 0.01 . 1 . . . . 36 L HD1  . 15129 1 
      465 . 1 1 37 37 LEU HD21 H  1   0.829 0.01 . 1 . . . . 36 L HD2  . 15129 1 
      466 . 1 1 37 37 LEU HD22 H  1   0.829 0.01 . 1 . . . . 36 L HD2  . 15129 1 
      467 . 1 1 37 37 LEU HD23 H  1   0.829 0.01 . 1 . . . . 36 L HD2  . 15129 1 
      468 . 1 1 37 37 LEU C    C 13 174.504 0.1  . 1 . . . . 36 L CO   . 15129 1 
      469 . 1 1 37 37 LEU CA   C 13  52.807 0.1  . 1 . . . . 36 L CA   . 15129 1 
      470 . 1 1 37 37 LEU CB   C 13  44.734 0.1  . 1 . . . . 36 L CB   . 15129 1 
      471 . 1 1 37 37 LEU CG   C 13  26.723 0.1  . 1 . . . . 36 L CG   . 15129 1 
      472 . 1 1 37 37 LEU CD1  C 13  23.493 0.1  . 1 . . . . 36 L CD1  . 15129 1 
      473 . 1 1 37 37 LEU CD2  C 13  26.549 0.1  . 1 . . . . 36 L CD2  . 15129 1 
      474 . 1 1 37 37 LEU N    N 15 121.601 0.1  . 1 . . . . 36 L N    . 15129 1 
      475 . 1 1 38 38 GLU H    H  1   8.589 0.01 . 1 . . . . 37 E HN   . 15129 1 
      476 . 1 1 38 38 GLU HA   H  1   4.861 0.01 . 1 . . . . 37 E HA   . 15129 1 
      477 . 1 1 38 38 GLU HB2  H  1   1.687 0.01 . 1 . . . . 37 E HB2  . 15129 1 
      478 . 1 1 38 38 GLU HB3  H  1   1.946 0.01 . 1 . . . . 37 E HB3  . 15129 1 
      479 . 1 1 38 38 GLU HG2  H  1   1.951 0.01 . 1 . . . . 37 E HG2  . 15129 1 
      480 . 1 1 38 38 GLU HG3  H  1   1.827 0.01 . 1 . . . . 37 E HG3  . 15129 1 
      481 . 1 1 38 38 GLU C    C 13 176.642 0.1  . 1 . . . . 37 E CO   . 15129 1 
      482 . 1 1 38 38 GLU CA   C 13  53.973 0.1  . 1 . . . . 37 E CA   . 15129 1 
      483 . 1 1 38 38 GLU CB   C 13  32.712 0.1  . 1 . . . . 37 E CB   . 15129 1 
      484 . 1 1 38 38 GLU CG   C 13  37.53  0.1  . 1 . . . . 37 E CG   . 15129 1 
      485 . 1 1 38 38 GLU N    N 15 118.288 0.1  . 1 . . . . 37 E N    . 15129 1 
      486 . 1 1 39 39 GLY H    H  1   9.281 0.01 . 1 . . . . 38 G HN   . 15129 1 
      487 . 1 1 39 39 GLY HA2  H  1   4.349 0.01 . 1 . . . . 38 G HA2  . 15129 1 
      488 . 1 1 39 39 GLY HA3  H  1   4.287 0.01 . 1 . . . . 38 G HA3  . 15129 1 
      489 . 1 1 39 39 GLY C    C 13 169.18  0.1  . 1 . . . . 38 G CO   . 15129 1 
      490 . 1 1 39 39 GLY CA   C 13  46.465 0.1  . 1 . . . . 38 G CA   . 15129 1 
      491 . 1 1 39 39 GLY N    N 15 115.313 0.1  . 1 . . . . 38 G N    . 15129 1 
      492 . 1 1 40 40 GLU H    H  1   8.871 0.01 . 1 . . . . 39 E HN   . 15129 1 
      493 . 1 1 40 40 GLU HA   H  1   5.892 0.01 . 1 . . . . 39 E HA   . 15129 1 
      494 . 1 1 40 40 GLU HB2  H  1   1.796 0.01 . 1 . . . . 39 E HB2  . 15129 1 
      495 . 1 1 40 40 GLU HB3  H  1   1.969 0.01 . 1 . . . . 39 E HB3  . 15129 1 
      496 . 1 1 40 40 GLU HG2  H  1   2.254 0.01 . 1 . . . . 39 E HG2  . 15129 1 
      497 . 1 1 40 40 GLU HG3  H  1   2.254 0.01 . 1 . . . . 39 E HG3  . 15129 1 
      498 . 1 1 40 40 GLU C    C 13 174.719 0.1  . 1 . . . . 39 E CO   . 15129 1 
      499 . 1 1 40 40 GLU CA   C 13  53.523 0.1  . 1 . . . . 39 E CA   . 15129 1 
      500 . 1 1 40 40 GLU CB   C 13  35.116 0.1  . 1 . . . . 39 E CB   . 15129 1 
      501 . 1 1 40 40 GLU CG   C 13  36.506 0.1  . 1 . . . . 39 E CG   . 15129 1 
      502 . 1 1 40 40 GLU CD   C 13 145.522 0.1  . 1 . . . . 39 E CD   . 15129 1 
      503 . 1 1 40 40 GLU N    N 15 116.777 0.1  . 1 . . . . 39 E N    . 15129 1 
      504 . 1 1 41 41 HIS H    H  1   8.811 0.01 . 1 . . . . 40 H HN   . 15129 1 
      505 . 1 1 41 41 HIS HA   H  1   4.819 0.01 . 1 . . . . 40 H HA   . 15129 1 
      506 . 1 1 41 41 HIS HB2  H  1   2.816 0.01 . 1 . . . . 40 H HB2  . 15129 1 
      507 . 1 1 41 41 HIS HB3  H  1   2.922 0.01 . 1 . . . . 40 H HB3  . 15129 1 
      508 . 1 1 41 41 HIS CA   C 13  56.026 0.1  . 1 . . . . 40 H CA   . 15129 1 
      509 . 1 1 41 41 HIS CB   C 13  33.645 0.1  . 1 . . . . 40 H CB   . 15129 1 
      510 . 1 1 41 41 HIS N    N 15 120.652 0.1  . 1 . . . . 40 H N    . 15129 1 
      511 . 1 1 42 42 HIS H    H  1   9.594 0.01 . 1 . . . . 41 H HN   . 15129 1 
      512 . 1 1 42 42 HIS HA   H  1   4.189 0.01 . 1 . . . . 41 H HA   . 15129 1 
      513 . 1 1 42 42 HIS HB2  H  1   2.807 0.01 . 1 . . . . 41 H HB2  . 15129 1 
      514 . 1 1 42 42 HIS HB3  H  1   3.211 0.01 . 1 . . . . 41 H HB3  . 15129 1 
      515 . 1 1 42 42 HIS C    C 13 174.794 0.1  . 1 . . . . 41 H CO   . 15129 1 
      516 . 1 1 42 42 HIS CA   C 13  55.219 0.1  . 1 . . . . 41 H CA   . 15129 1 
      517 . 1 1 42 42 HIS CB   C 13  27.346 0.1  . 1 . . . . 41 H CB   . 15129 1 
      518 . 1 1 42 42 HIS N    N 15 127.151 0.1  . 1 . . . . 41 H N    . 15129 1 
      519 . 1 1 43 43 GLY H    H  1   9.181 0.01 . 1 . . . . 42 G HN   . 15129 1 
      520 . 1 1 43 43 GLY HA2  H  1   4.108 0.01 . 1 . . . . 42 G HA2  . 15129 1 
      521 . 1 1 43 43 GLY HA3  H  1   3.627 0.01 . 1 . . . . 42 G HA3  . 15129 1 
      522 . 1 1 43 43 GLY C    C 13 173.566 0.1  . 1 . . . . 42 G CO   . 15129 1 
      523 . 1 1 43 43 GLY CA   C 13  45.475 0.1  . 1 . . . . 42 G CA   . 15129 1 
      524 . 1 1 43 43 GLY N    N 15 104.734 0.1  . 1 . . . . 42 G N    . 15129 1 
      525 . 1 1 44 44 ARG H    H  1   7.847 0.01 . 1 . . . . 43 R HN   . 15129 1 
      526 . 1 1 44 44 ARG HA   H  1   4.547 0.01 . 1 . . . . 43 R HA   . 15129 1 
      527 . 1 1 44 44 ARG HB2  H  1   1.97  0.01 . 1 . . . . 43 R HB2  . 15129 1 
      528 . 1 1 44 44 ARG HB3  H  1   1.853 0.01 . 1 . . . . 43 R HB3  . 15129 1 
      529 . 1 1 44 44 ARG HG2  H  1   1.588 0.01 . 1 . . . . 43 R HG2  . 15129 1 
      530 . 1 1 44 44 ARG HG3  H  1   1.723 0.01 . 1 . . . . 43 R HG3  . 15129 1 
      531 . 1 1 44 44 ARG HD2  H  1   3.288 0.01 . 1 . . . . 43 R HD2  . 15129 1 
      532 . 1 1 44 44 ARG HD3  H  1   3.288 0.01 . 1 . . . . 43 R HD3  . 15129 1 
      533 . 1 1 44 44 ARG C    C 13 174.141 0.1  . 1 . . . . 43 R CO   . 15129 1 
      534 . 1 1 44 44 ARG CA   C 13  55.024 0.1  . 1 . . . . 43 R CA   . 15129 1 
      535 . 1 1 44 44 ARG CB   C 13  31.7   0.1  . 1 . . . . 43 R CB   . 15129 1 
      536 . 1 1 44 44 ARG CG   C 13  27.23  0.1  . 1 . . . . 43 R CG   . 15129 1 
      537 . 1 1 44 44 ARG CD   C 13  43.476 0.1  . 1 . . . . 43 R CD   . 15129 1 
      538 . 1 1 44 44 ARG N    N 15 121.834 0.1  . 1 . . . . 43 R N    . 15129 1 
      539 . 1 1 45 45 LEU H    H  1   8.386 0.01 . 1 . . . . 44 L HN   . 15129 1 
      540 . 1 1 45 45 LEU HA   H  1   5.203 0.01 . 1 . . . . 44 L HA   . 15129 1 
      541 . 1 1 45 45 LEU HB2  H  1   1.471 0.01 . 1 . . . . 44 L HB2  . 15129 1 
      542 . 1 1 45 45 LEU HB3  H  1   1.61  0.01 . 1 . . . . 44 L HB3  . 15129 1 
      543 . 1 1 45 45 LEU HG   H  1   1.454 0.01 . 1 . . . . 44 L HG   . 15129 1 
      544 . 1 1 45 45 LEU HD11 H  1   0.657 0.01 . 1 . . . . 44 L HD1  . 15129 1 
      545 . 1 1 45 45 LEU HD12 H  1   0.657 0.01 . 1 . . . . 44 L HD1  . 15129 1 
      546 . 1 1 45 45 LEU HD13 H  1   0.657 0.01 . 1 . . . . 44 L HD1  . 15129 1 
      547 . 1 1 45 45 LEU HD21 H  1   0.685 0.01 . 1 . . . . 44 L HD2  . 15129 1 
      548 . 1 1 45 45 LEU HD22 H  1   0.685 0.01 . 1 . . . . 44 L HD2  . 15129 1 
      549 . 1 1 45 45 LEU HD23 H  1   0.685 0.01 . 1 . . . . 44 L HD2  . 15129 1 
      550 . 1 1 45 45 LEU C    C 13 177.371 0.1  . 1 . . . . 44 L CO   . 15129 1 
      551 . 1 1 45 45 LEU CA   C 13  53.67  0.1  . 1 . . . . 44 L CA   . 15129 1 
      552 . 1 1 45 45 LEU CB   C 13  44.766 0.1  . 1 . . . . 44 L CB   . 15129 1 
      553 . 1 1 45 45 LEU CG   C 13  27.638 0.1  . 1 . . . . 44 L CG   . 15129 1 
      554 . 1 1 45 45 LEU CD1  C 13  24.356 0.1  . 1 . . . . 44 L CD1  . 15129 1 
      555 . 1 1 45 45 LEU CD2  C 13  24.627 0.1  . 1 . . . . 44 L CD2  . 15129 1 
      556 . 1 1 45 45 LEU N    N 15 124.598 0.1  . 1 . . . . 44 L N    . 15129 1 
      557 . 1 1 46 46 GLY H    H  1   8.815 0.01 . 1 . . . . 45 G HN   . 15129 1 
      558 . 1 1 46 46 GLY HA2  H  1   4.306 0.01 . 1 . . . . 45 G HA2  . 15129 1 
      559 . 1 1 46 46 GLY HA3  H  1   4.032 0.01 . 1 . . . . 45 G HA3  . 15129 1 
      560 . 1 1 46 46 GLY C    C 13 171.056 0.1  . 1 . . . . 45 G CO   . 15129 1 
      561 . 1 1 46 46 GLY CA   C 13  46.058 0.1  . 1 . . . . 45 G CA   . 15129 1 
      562 . 1 1 46 46 GLY N    N 15 111.111 0.1  . 1 . . . . 45 G N    . 15129 1 
      563 . 1 1 47 47 ILE H    H  1   8.366 0.01 . 1 . . . . 46 I HN   . 15129 1 
      564 . 1 1 47 47 ILE HA   H  1   5.858 0.01 . 1 . . . . 46 I HA   . 15129 1 
      565 . 1 1 47 47 ILE HB   H  1   1.784 0.01 . 1 . . . . 46 I HB   . 15129 1 
      566 . 1 1 47 47 ILE HG12 H  1   1.217 0.01 . 1 . . . . 46 I HG12 . 15129 1 
      567 . 1 1 47 47 ILE HG13 H  1   0.72  0.01 . 1 . . . . 46 I HG13 . 15129 1 
      568 . 1 1 47 47 ILE HG21 H  1   0.08  0.01 . 1 . . . . 46 I HG2  . 15129 1 
      569 . 1 1 47 47 ILE HG22 H  1   0.08  0.01 . 1 . . . . 46 I HG2  . 15129 1 
      570 . 1 1 47 47 ILE HG23 H  1   0.08  0.01 . 1 . . . . 46 I HG2  . 15129 1 
      571 . 1 1 47 47 ILE HD11 H  1   0.717 0.01 . 1 . . . . 46 I HD1  . 15129 1 
      572 . 1 1 47 47 ILE HD12 H  1   0.717 0.01 . 1 . . . . 46 I HD1  . 15129 1 
      573 . 1 1 47 47 ILE HD13 H  1   0.717 0.01 . 1 . . . . 46 I HD1  . 15129 1 
      574 . 1 1 47 47 ILE C    C 13 175.839 0.1  . 1 . . . . 46 I CO   . 15129 1 
      575 . 1 1 47 47 ILE CA   C 13  59.427 0.1  . 1 . . . . 46 I CA   . 15129 1 
      576 . 1 1 47 47 ILE CB   C 13  41.185 0.1  . 1 . . . . 46 I CB   . 15129 1 
      577 . 1 1 47 47 ILE CG1  C 13  26.232 0.1  . 1 . . . . 46 I CG1  . 15129 1 
      578 . 1 1 47 47 ILE CG2  C 13  40.627 0.1  . 1 . . . . 46 I CG2  . 15129 1 
      579 . 1 1 47 47 ILE CD1  C 13  17.437 0.1  . 1 . . . . 46 I CD1  . 15129 1 
      580 . 1 1 47 47 ILE N    N 15 112.868 0.1  . 1 . . . . 46 I N    . 15129 1 
      581 . 1 1 48 48 PHE H    H  1   8.188 0.01 . 1 . . . . 47 F HN   . 15129 1 
      582 . 1 1 48 48 PHE HA   H  1   4.738 0.01 . 1 . . . . 47 F HA   . 15129 1 
      583 . 1 1 48 48 PHE HB2  H  1   2.205 0.01 . 1 . . . . 47 F HB2  . 15129 1 
      584 . 1 1 48 48 PHE HB3  H  1   3.183 0.01 . 1 . . . . 47 F HB3  . 15129 1 
      585 . 1 1 48 48 PHE HD1  H  1   6.743 0.01 . 1 . . . . 47 F HD#  . 15129 1 
      586 . 1 1 48 48 PHE HD2  H  1   6.743 0.01 . 1 . . . . 47 F HD#  . 15129 1 
      587 . 1 1 48 48 PHE HE1  H  1   7.085 0.01 . 1 . . . . 47 F HE#  . 15129 1 
      588 . 1 1 48 48 PHE HE2  H  1   7.085 0.01 . 1 . . . . 47 F HE#  . 15129 1 
      589 . 1 1 48 48 PHE C    C 13 171.325 0.1  . 1 . . . . 47 F CO   . 15129 1 
      590 . 1 1 48 48 PHE CA   C 13  54.547 0.1  . 1 . . . . 47 F CA   . 15129 1 
      591 . 1 1 48 48 PHE CB   C 13  37.135 0.1  . 1 . . . . 47 F CB   . 15129 1 
      592 . 1 1 48 48 PHE N    N 15 115.646 0.1  . 1 . . . . 47 F N    . 15129 1 
      593 . 1 1 49 49 PRO HA   H  1   3.672 0.01 . 1 . . . . 48 P HA   . 15129 1 
      594 . 1 1 49 49 PRO HB2  H  1   1.415 0.01 . 1 . . . . 48 P HB2  . 15129 1 
      595 . 1 1 49 49 PRO HB3  H  1   1.172 0.01 . 1 . . . . 48 P HB3  . 15129 1 
      596 . 1 1 49 49 PRO HG2  H  1   0.347 0.01 . 1 . . . . 48 P HG2  . 15129 1 
      597 . 1 1 49 49 PRO HG3  H  1   0.484 0.01 . 1 . . . . 48 P HG3  . 15129 1 
      598 . 1 1 49 49 PRO HD2  H  1   1.764 0.01 . 1 . . . . 48 P HD2  . 15129 1 
      599 . 1 1 49 49 PRO HD3  H  1   1.914 0.01 . 1 . . . . 48 P HD3  . 15129 1 
      600 . 1 1 49 49 PRO C    C 13 178.272 0.1  . 1 . . . . 48 P CO   . 15129 1 
      601 . 1 1 49 49 PRO CA   C 13  62.143 0.1  . 1 . . . . 48 P CA   . 15129 1 
      602 . 1 1 49 49 PRO CB   C 13  31.495 0.1  . 1 . . . . 48 P CB   . 15129 1 
      603 . 1 1 49 49 PRO CG   C 13  27.862 0.1  . 1 . . . . 48 P CG   . 15129 1 
      604 . 1 1 49 49 PRO CD   C 13  49.815 0.1  . 1 . . . . 48 P CD   . 15129 1 
      605 . 1 1 50 50 ALA H    H  1   7.868 0.01 . 1 . . . . 49 A HN   . 15129 1 
      606 . 1 1 50 50 ALA HA   H  1   3.793 0.01 . 1 . . . . 49 A HA   . 15129 1 
      607 . 1 1 50 50 ALA HB1  H  1   1.133 0.01 . 1 . . . . 49 A HB   . 15129 1 
      608 . 1 1 50 50 ALA HB2  H  1   1.133 0.01 . 1 . . . . 49 A HB   . 15129 1 
      609 . 1 1 50 50 ALA HB3  H  1   1.133 0.01 . 1 . . . . 49 A HB   . 15129 1 
      610 . 1 1 50 50 ALA C    C 13 179.156 0.1  . 1 . . . . 49 A CO   . 15129 1 
      611 . 1 1 50 50 ALA CA   C 13  54.398 0.1  . 1 . . . . 49 A CA   . 15129 1 
      612 . 1 1 50 50 ALA CB   C 13  18.1   0.1  . 1 . . . . 49 A CB   . 15129 1 
      613 . 1 1 50 50 ALA N    N 15 125.204 0.1  . 1 . . . . 49 A N    . 15129 1 
      614 . 1 1 51 51 ASN H    H  1   8.492 0.01 . 1 . . . . 50 N HN   . 15129 1 
      615 . 1 1 51 51 ASN HA   H  1   4.72  0.01 . 1 . . . . 50 N HA   . 15129 1 
      616 . 1 1 51 51 ASN HB2  H  1   2.753 0.01 . 1 . . . . 50 N HB2  . 15129 1 
      617 . 1 1 51 51 ASN HB3  H  1   3.022 0.01 . 1 . . . . 50 N HB3  . 15129 1 
      618 . 1 1 51 51 ASN HD21 H  1   6.648 0.01 . 1 . . . . 50 N HD21 . 15129 1 
      619 . 1 1 51 51 ASN HD22 H  1   7.512 0.01 . 1 . . . . 50 N HD22 . 15129 1 
      620 . 1 1 51 51 ASN C    C 13 175.445 0.1  . 1 . . . . 50 N CO   . 15129 1 
      621 . 1 1 51 51 ASN CA   C 13  53.351 0.1  . 1 . . . . 50 N CA   . 15129 1 
      622 . 1 1 51 51 ASN CB   C 13  36.485 0.1  . 1 . . . . 50 N CB   . 15129 1 
      623 . 1 1 51 51 ASN N    N 15 111.022 0.1  . 1 . . . . 50 N N    . 15129 1 
      624 . 1 1 51 51 ASN ND2  N 15 110.845 0.1  . 1 . . . . 50 N ND2  . 15129 1 
      625 . 1 1 52 52 TYR H    H  1   7.638 0.01 . 1 . . . . 51 Y HN   . 15129 1 
      626 . 1 1 52 52 TYR HA   H  1   4.637 0.01 . 1 . . . . 51 Y HA   . 15129 1 
      627 . 1 1 52 52 TYR HB2  H  1   3.168 0.01 . 1 . . . . 51 Y HB2  . 15129 1 
      628 . 1 1 52 52 TYR HB3  H  1   3.226 0.01 . 1 . . . . 51 Y HB3  . 15129 1 
      629 . 1 1 52 52 TYR HD1  H  1   6.735 0.01 . 1 . . . . 51 Y HD1  . 15129 1 
      630 . 1 1 52 52 TYR HD2  H  1   6.829 0.01 . 1 . . . . 51 Y HD2  . 15129 1 
      631 . 1 1 52 52 TYR HE1  H  1   6.139 0.01 . 1 . . . . 51 Y HE#  . 15129 1 
      632 . 1 1 52 52 TYR HE2  H  1   6.139 0.01 . 1 . . . . 51 Y HE#  . 15129 1 
      633 . 1 1 52 52 TYR C    C 13 175.153 0.1  . 1 . . . . 51 Y CO   . 15129 1 
      634 . 1 1 52 52 TYR CA   C 13  58.168 0.1  . 1 . . . . 51 Y CA   . 15129 1 
      635 . 1 1 52 52 TYR CB   C 13  37.91  0.1  . 1 . . . . 51 Y CB   . 15129 1 
      636 . 1 1 52 52 TYR CG   C 13 123.455 0.1  . 1 . . . . 51 Y CG   . 15129 1 
      637 . 1 1 52 52 TYR CD1  C 13 129.436 0.1  . 1 . . . . 51 Y CD1  . 15129 1 
      638 . 1 1 52 52 TYR CD2  C 13 129.436 0.1  . 1 . . . . 51 Y CD2  . 15129 1 
      639 . 1 1 52 52 TYR N    N 15 118.363 0.1  . 1 . . . . 51 Y N    . 15129 1 
      640 . 1 1 53 53 VAL H    H  1   7.242 0.01 . 1 . . . . 52 V HN   . 15129 1 
      641 . 1 1 53 53 VAL HA   H  1   5.288 0.01 . 1 . . . . 52 V HA   . 15129 1 
      642 . 1 1 53 53 VAL HB   H  1   1.757 0.01 . 1 . . . . 52 V HB   . 15129 1 
      643 . 1 1 53 53 VAL HG11 H  1   0.715 0.01 . 1 . . . . 52 V HG1  . 15129 1 
      644 . 1 1 53 53 VAL HG12 H  1   0.715 0.01 . 1 . . . . 52 V HG1  . 15129 1 
      645 . 1 1 53 53 VAL HG13 H  1   0.715 0.01 . 1 . . . . 52 V HG1  . 15129 1 
      646 . 1 1 53 53 VAL HG21 H  1   0.748 0.01 . 1 . . . . 52 V HG2  . 15129 1 
      647 . 1 1 53 53 VAL HG22 H  1   0.748 0.01 . 1 . . . . 52 V HG2  . 15129 1 
      648 . 1 1 53 53 VAL HG23 H  1   0.748 0.01 . 1 . . . . 52 V HG2  . 15129 1 
      649 . 1 1 53 53 VAL C    C 13 173.887 0.1  . 1 . . . . 52 V CO   . 15129 1 
      650 . 1 1 53 53 VAL CA   C 13  58.529 0.1  . 1 . . . . 52 V CA   . 15129 1 
      651 . 1 1 53 53 VAL CB   C 13  34.259 0.1  . 1 . . . . 52 V CB   . 15129 1 
      652 . 1 1 53 53 VAL CG1  C 13  22.269 0.1  . 1 . . . . 52 V CG1  . 15129 1 
      653 . 1 1 53 53 VAL CG2  C 13  18.426 0.1  . 1 . . . . 52 V CG2  . 15129 1 
      654 . 1 1 53 53 VAL N    N 15 109.574 0.1  . 1 . . . . 52 V N    . 15129 1 
      655 . 1 1 54 54 GLU H    H  1   8.719 0.01 . 1 . . . . 53 E HN   . 15129 1 
      656 . 1 1 54 54 GLU HA   H  1   4.627 0.01 . 1 . . . . 53 E HA   . 15129 1 
      657 . 1 1 54 54 GLU HB2  H  1   1.861 0.01 . 1 . . . . 53 E HB2  . 15129 1 
      658 . 1 1 54 54 GLU HB3  H  1   1.692 0.01 . 1 . . . . 53 E HB3  . 15129 1 
      659 . 1 1 54 54 GLU HG2  H  1   2.023 0.01 . 1 . . . . 53 E HG2  . 15129 1 
      660 . 1 1 54 54 GLU HG3  H  1   2.087 0.01 . 1 . . . . 53 E HG3  . 15129 1 
      661 . 1 1 54 54 GLU C    C 13 175.454 0.1  . 1 . . . . 53 E CO   . 15129 1 
      662 . 1 1 54 54 GLU CA   C 13  53.791 0.1  . 1 . . . . 53 E CA   . 15129 1 
      663 . 1 1 54 54 GLU CB   C 13  32.104 0.1  . 1 . . . . 53 E CB   . 15129 1 
      664 . 1 1 54 54 GLU CG   C 13  35.53  0.1  . 1 . . . . 53 E CG   . 15129 1 
      665 . 1 1 54 54 GLU N    N 15 121.23  0.1  . 1 . . . . 53 E N    . 15129 1 
      666 . 1 1 55 55 VAL H    H  1   8.775 0.01 . 1 . . . . 54 V HN   . 15129 1 
      667 . 1 1 55 55 VAL HA   H  1   3.853 0.01 . 1 . . . . 54 V HA   . 15129 1 
      668 . 1 1 55 55 VAL HB   H  1   1.928 0.01 . 1 . . . . 54 V HB   . 15129 1 
      669 . 1 1 55 55 VAL HG11 H  1   0.876 0.01 . 1 . . . . 54 V HG1  . 15129 1 
      670 . 1 1 55 55 VAL HG12 H  1   0.876 0.01 . 1 . . . . 54 V HG1  . 15129 1 
      671 . 1 1 55 55 VAL HG13 H  1   0.876 0.01 . 1 . . . . 54 V HG1  . 15129 1 
      672 . 1 1 55 55 VAL HG21 H  1   0.96  0.01 . 1 . . . . 54 V HG2  . 15129 1 
      673 . 1 1 55 55 VAL HG22 H  1   0.96  0.01 . 1 . . . . 54 V HG2  . 15129 1 
      674 . 1 1 55 55 VAL HG23 H  1   0.96  0.01 . 1 . . . . 54 V HG2  . 15129 1 
      675 . 1 1 55 55 VAL C    C 13 176.081 0.1  . 1 . . . . 54 V CO   . 15129 1 
      676 . 1 1 55 55 VAL CA   C 13  63.817 0.1  . 1 . . . . 54 V CA   . 15129 1 
      677 . 1 1 55 55 VAL CB   C 13  31.491 0.1  . 1 . . . . 54 V CB   . 15129 1 
      678 . 1 1 55 55 VAL CG1  C 13  21.662 0.1  . 1 . . . . 54 V CG1  . 15129 1 
      679 . 1 1 55 55 VAL CG2  C 13  21.71  0.1  . 1 . . . . 54 V CG2  . 15129 1 
      680 . 1 1 55 55 VAL N    N 15 126.705 0.1  . 1 . . . . 54 V N    . 15129 1 
      681 . 1 1 56 56 LEU H    H  1   8.414 0.01 . 1 . . . . 55 L HN   . 15129 1 
      682 . 1 1 56 56 LEU HA   H  1   4.546 0.01 . 1 . . . . 55 L HA   . 15129 1 
      683 . 1 1 56 56 LEU HB2  H  1   1.45  0.01 . 1 . . . . 55 L HB2  . 15129 1 
      684 . 1 1 56 56 LEU HB3  H  1   1.45  0.01 . 1 . . . . 55 L HB3  . 15129 1 
      685 . 1 1 56 56 LEU HG   H  1   1.525 0.01 . 1 . . . . 55 L HG   . 15129 1 
      686 . 1 1 56 56 LEU HD11 H  1   0.718 0.01 . 1 . . . . 55 L HD1  . 15129 1 
      687 . 1 1 56 56 LEU HD12 H  1   0.718 0.01 . 1 . . . . 55 L HD1  . 15129 1 
      688 . 1 1 56 56 LEU HD13 H  1   0.718 0.01 . 1 . . . . 55 L HD1  . 15129 1 
      689 . 1 1 56 56 LEU HD21 H  1   0.649 0.01 . 1 . . . . 55 L HD2  . 15129 1 
      690 . 1 1 56 56 LEU HD22 H  1   0.649 0.01 . 1 . . . . 55 L HD2  . 15129 1 
      691 . 1 1 56 56 LEU HD23 H  1   0.649 0.01 . 1 . . . . 55 L HD2  . 15129 1 
      692 . 1 1 56 56 LEU C    C 13 175.159 0.1  . 1 . . . . 55 L CO   . 15129 1 
      693 . 1 1 56 56 LEU CA   C 13  53.046 0.1  . 1 . . . . 55 L CA   . 15129 1 
      694 . 1 1 56 56 LEU CB   C 13  41.032 0.1  . 1 . . . . 55 L CB   . 15129 1 
      695 . 1 1 56 56 LEU CG   C 13  27.626 0.1  . 1 . . . . 55 L CG   . 15129 1 
      696 . 1 1 56 56 LEU CD1  C 13  22.64  0.1  . 1 . . . . 55 L CD1  . 15129 1 
      697 . 1 1 56 56 LEU CD2  C 13  25.306 0.1  . 1 . . . . 55 L CD2  . 15129 1 
      698 . 1 1 56 56 LEU N    N 15 129.26  0.1  . 1 . . . . 55 L N    . 15129 1 
      699 . 1 1 57 57 PRO HA   H  1   4.417 0.01 . 1 . . . . 56 P HA   . 15129 1 
      700 . 1 1 57 57 PRO HB2  H  1   2.225 0.01 . 1 . . . . 56 P HB2  . 15129 1 
      701 . 1 1 57 57 PRO HB3  H  1   1.875 0.01 . 1 . . . . 56 P HB3  . 15129 1 
      702 . 1 1 57 57 PRO HG2  H  1   1.956 0.01 . 1 . . . . 56 P HG2  . 15129 1 
      703 . 1 1 57 57 PRO HG3  H  1   1.956 0.01 . 1 . . . . 56 P HG3  . 15129 1 
      704 . 1 1 57 57 PRO HD2  H  1   3.565 0.01 . 1 . . . . 56 P HD2  . 15129 1 
      705 . 1 1 57 57 PRO HD3  H  1   3.785 0.01 . 1 . . . . 56 P HD3  . 15129 1 
      706 . 1 1 57 57 PRO C    C 13 176.561 0.1  . 1 . . . . 56 P CO   . 15129 1 
      707 . 1 1 57 57 PRO CA   C 13  62.954 0.1  . 1 . . . . 56 P CA   . 15129 1 
      708 . 1 1 57 57 PRO CB   C 13  31.803 0.1  . 1 . . . . 56 P CB   . 15129 1 
      709 . 1 1 57 57 PRO CG   C 13  27.288 0.1  . 1 . . . . 56 P CG   . 15129 1 
      710 . 1 1 57 57 PRO CD   C 13  50.549 0.1  . 1 . . . . 56 P CD   . 15129 1 

   stop_

save_