data_17839

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

save_entry_information
   _Entry.Sf_category                    entry_information
   _Entry.Sf_framecode                   entry_information
   _Entry.ID                             17839
   _Entry.Title                         
;
Ga98 solution structure
;
   _Entry.Type                           macromolecule
   _Entry.Version_type                   original
   _Entry.Submission_date                2011-08-08
   _Entry.Accession_date                 2011-08-08
   _Entry.Last_release_date              2012-02-28
   _Entry.Original_release_date          2012-02-28
   _Entry.Origination                    author
   _Entry.NMR_STAR_version               3.1.1.61
   _Entry.Original_NMR_STAR_version      3.1
   _Entry.Experimental_method            NMR
   _Entry.Experimental_method_subtype   'SOLUTION NMR'
   _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 Yanan   He        . . . 17839 
      2 Yihong  Chen      . . . 17839 
      3 Patrick Alexander . . . 17839 
      4 Philip  Bryan     . . . 17839 
      5 John    Orban     . . . 17839 

   stop_

   loop_
      _SG_project.SG_project_ID
      _SG_project.Project_name
      _SG_project.Full_name_of_center
      _SG_project.Initial_of_center
      _SG_project.Entry_ID

      1 'not applicable' 'not applicable' . 17839 

   stop_

   loop_
      _Struct_keywords.Keywords
      _Struct_keywords.Text
      _Struct_keywords.Entry_ID

      'De Novo protein' . 17839 

   stop_

   loop_
      _Data_set.Type
      _Data_set.Count
      _Data_set.Entry_ID

      assigned_chemical_shifts 1 17839 

   stop_

   loop_
      _Datum.Type
      _Datum.Count
      _Datum.Entry_ID

      '13C chemical shifts' 213 17839 
      '15N chemical shifts'  56 17839 
      '1H chemical shifts'  334 17839 

   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 . . 2012-02-28 2011-08-08 original author . 17839 

   stop_

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

      BMRB 17840  GB98                        17839 
      BMRB 17841  GB98-T25I,L20A              17839 
      BMRB 17843  GB98-T25I                   17839 
      PDB  2LHC   'BMRB Entry Tracking System' 17839 

   stop_

save_


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

save_entry_citation
   _Citation.Sf_category                  citations
   _Citation.Sf_framecode                 entry_citation
   _Citation.Entry_ID                     17839
   _Citation.ID                           1
   _Citation.Class                       'entry citation'
   _Citation.CAS_abstract_code            .
   _Citation.MEDLINE_UI_code              .
   _Citation.DOI                          .
   _Citation.PubMed_ID                    22325777
   _Citation.Full_citation                .
   _Citation.Title                       'Mutational tipping points for switching protein folds and functions'
   _Citation.Status                       published
   _Citation.Type                         journal
   _Citation.Journal_abbrev               Structure
   _Citation.Journal_name_full            .
   _Citation.Journal_volume               20
   _Citation.Journal_issue                2
   _Citation.Journal_ASTM                 .
   _Citation.Journal_ISSN                 .
   _Citation.Journal_CSD                  .
   _Citation.Book_title                   .
   _Citation.Book_chapter_title           .
   _Citation.Book_volume                  .
   _Citation.Book_series                  .
   _Citation.Book_publisher               .
   _Citation.Book_publisher_city          .
   _Citation.Book_ISBN                    .
   _Citation.Conference_title             .
   _Citation.Conference_site              .
   _Citation.Conference_state_province    .
   _Citation.Conference_country           .
   _Citation.Conference_start_date        .
   _Citation.Conference_end_date          .
   _Citation.Conference_abstract_number   .
   _Citation.Thesis_institution           .
   _Citation.Thesis_institution_city      .
   _Citation.Thesis_institution_country   .
   _Citation.WWW_URL                      .
   _Citation.Page_first                   283
   _Citation.Page_last                    291
   _Citation.Year                         2012
   _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 Yanan   He        . . . 17839 1 
      2 Yihong  Chen      . . . 17839 1 
      3 Patrick Alexander . . . 17839 1 
      4 Philip  Bryan     . . . 17839 1 
      5 John    Orban     . . . 17839 1 

   stop_

save_


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

save_assembly
   _Assembly.Sf_category                       assembly
   _Assembly.Sf_framecode                      assembly
   _Assembly.Entry_ID                          17839
   _Assembly.ID                                1
   _Assembly.Name                              Ga98
   _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 Ga98 1 $Ga98 A . yes native no no . . . 17839 1 

   stop_

save_


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

save_Ga98
   _Entity.Sf_category                       entity
   _Entity.Sf_framecode                      Ga98
   _Entity.Entry_ID                          17839
   _Entity.ID                                1
   _Entity.BMRB_code                         .
   _Entity.Name                              Ga98
   _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      
;
TTYKLILNLKQAKEEAIKEL
VDAGTAEKYFKLIANAKTVE
GVWTLKDEIKTFTVTE
;
   _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                56
   _Entity.Number_of_nonpolymer_components   .
   _Entity.Paramagnetic                      no
   _Entity.Thiol_state                      'not present'
   _Entity.Src_method                        man
   _Entity.Parent_entity_ID                  .
   _Entity.Fragment                          .
   _Entity.Mutation                          .
   _Entity.EC_number                         .
   _Entity.Calc_isoelectric_point            .
   _Entity.Formula_weight                    6355.419
   _Entity.Formula_weight_exptl              .
   _Entity.Formula_weight_exptl_meth         .
   _Entity.Details                           .
   _Entity.DB_query_date                     .
   _Entity.DB_query_revised_last_date        2015-11-25

   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 16116 .  entity                                                                                                               . . . . . 100.00 56  98.21  98.21 1.45e-27 . . . . 17839 1 
      2 no BMRB 17840 .  GB98                                                                                                                 . . . . . 100.00 56  98.21  98.21 1.11e-27 . . . . 17839 1 
      3 no PDB  2KDL   . "Nmr Structures Of Ga95 And Gb95, Two Designed Proteins With 95% Sequence Identity But Different Folds And Functions" . . . . . 100.00 56  98.21  98.21 1.45e-27 . . . . 17839 1 
      4 no PDB  2LHC   . "Ga98 Solution Structure"                                                                                             . . . . . 100.00 56 100.00 100.00 1.83e-28 . . . . 17839 1 
      5 no PDB  2LHD   . "Gb98 Solution Structure"                                                                                             . . . . . 100.00 56  98.21  98.21 1.11e-27 . . . . 17839 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 . THR . 17839 1 
       2 . THR . 17839 1 
       3 . TYR . 17839 1 
       4 . LYS . 17839 1 
       5 . LEU . 17839 1 
       6 . ILE . 17839 1 
       7 . LEU . 17839 1 
       8 . ASN . 17839 1 
       9 . LEU . 17839 1 
      10 . LYS . 17839 1 
      11 . GLN . 17839 1 
      12 . ALA . 17839 1 
      13 . LYS . 17839 1 
      14 . GLU . 17839 1 
      15 . GLU . 17839 1 
      16 . ALA . 17839 1 
      17 . ILE . 17839 1 
      18 . LYS . 17839 1 
      19 . GLU . 17839 1 
      20 . LEU . 17839 1 
      21 . VAL . 17839 1 
      22 . ASP . 17839 1 
      23 . ALA . 17839 1 
      24 . GLY . 17839 1 
      25 . THR . 17839 1 
      26 . ALA . 17839 1 
      27 . GLU . 17839 1 
      28 . LYS . 17839 1 
      29 . TYR . 17839 1 
      30 . PHE . 17839 1 
      31 . LYS . 17839 1 
      32 . LEU . 17839 1 
      33 . ILE . 17839 1 
      34 . ALA . 17839 1 
      35 . ASN . 17839 1 
      36 . ALA . 17839 1 
      37 . LYS . 17839 1 
      38 . THR . 17839 1 
      39 . VAL . 17839 1 
      40 . GLU . 17839 1 
      41 . GLY . 17839 1 
      42 . VAL . 17839 1 
      43 . TRP . 17839 1 
      44 . THR . 17839 1 
      45 . LEU . 17839 1 
      46 . LYS . 17839 1 
      47 . ASP . 17839 1 
      48 . GLU . 17839 1 
      49 . ILE . 17839 1 
      50 . LYS . 17839 1 
      51 . THR . 17839 1 
      52 . PHE . 17839 1 
      53 . THR . 17839 1 
      54 . VAL . 17839 1 
      55 . THR . 17839 1 
      56 . GLU . 17839 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

      . THR  1  1 17839 1 
      . THR  2  2 17839 1 
      . TYR  3  3 17839 1 
      . LYS  4  4 17839 1 
      . LEU  5  5 17839 1 
      . ILE  6  6 17839 1 
      . LEU  7  7 17839 1 
      . ASN  8  8 17839 1 
      . LEU  9  9 17839 1 
      . LYS 10 10 17839 1 
      . GLN 11 11 17839 1 
      . ALA 12 12 17839 1 
      . LYS 13 13 17839 1 
      . GLU 14 14 17839 1 
      . GLU 15 15 17839 1 
      . ALA 16 16 17839 1 
      . ILE 17 17 17839 1 
      . LYS 18 18 17839 1 
      . GLU 19 19 17839 1 
      . LEU 20 20 17839 1 
      . VAL 21 21 17839 1 
      . ASP 22 22 17839 1 
      . ALA 23 23 17839 1 
      . GLY 24 24 17839 1 
      . THR 25 25 17839 1 
      . ALA 26 26 17839 1 
      . GLU 27 27 17839 1 
      . LYS 28 28 17839 1 
      . TYR 29 29 17839 1 
      . PHE 30 30 17839 1 
      . LYS 31 31 17839 1 
      . LEU 32 32 17839 1 
      . ILE 33 33 17839 1 
      . ALA 34 34 17839 1 
      . ASN 35 35 17839 1 
      . ALA 36 36 17839 1 
      . LYS 37 37 17839 1 
      . THR 38 38 17839 1 
      . VAL 39 39 17839 1 
      . GLU 40 40 17839 1 
      . GLY 41 41 17839 1 
      . VAL 42 42 17839 1 
      . TRP 43 43 17839 1 
      . THR 44 44 17839 1 
      . LEU 45 45 17839 1 
      . LYS 46 46 17839 1 
      . ASP 47 47 17839 1 
      . GLU 48 48 17839 1 
      . ILE 49 49 17839 1 
      . LYS 50 50 17839 1 
      . THR 51 51 17839 1 
      . PHE 52 52 17839 1 
      . THR 53 53 17839 1 
      . VAL 54 54 17839 1 
      . THR 55 55 17839 1 
      . GLU 56 56 17839 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       17839
   _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 $Ga98 . . . . 'Synthetic construct' . . . . . . . . . . . . . . . . . . . . . . . PGA98 . . . . 17839 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       17839
   _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 $Ga98 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21DE3 . . . . . . . . . . . . . . . PPAL8 . . . . . . 17839 1 

   stop_

save_


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

save_sample_1
   _Sample.Sf_category                      sample
   _Sample.Sf_framecode                     sample_1
   _Sample.Entry_ID                         17839
   _Sample.ID                               1
   _Sample.Type                             solution
   _Sample.Sub_type                         .
   _Sample.Details                          .
   _Sample.Aggregate_sample_number          .
   _Sample.Solvent_system                  '95% H2O/5% 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  Ga98                 '[U-100% 13C; U-100% 15N]' . . 1 $Ga98 . .    . 0.1 0.3 mM . . . . 17839 1 
      2 'potassium phosphate' 'natural abundance'        . .  .  .    . . 100  .   .  mM . . . . 17839 1 
      3  H2O                  'natural abundance'        . .  .  .    . .  95  .   .  %  . . . . 17839 1 
      4  D2O                  'natural abundance'        . .  .  .    . .   5  .   .  %  . . . . 17839 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       17839
   _Sample_condition_list.ID             1
   _Sample_condition_list.Details        .

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

      'ionic strength' 100   . mM  17839 1 
       pH                7.0 . pH  17839 1 
       pressure          1   . atm 17839 1 
       temperature     278   . K   17839 1 

   stop_

save_


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

save_CNS
   _Software.Sf_category    software
   _Software.Sf_framecode   CNS
   _Software.Entry_ID       17839
   _Software.ID             1
   _Software.Name           CNS
   _Software.Version       'cns_solve 1.21'
   _Software.Details        .

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

      'Brunger A. T. et.al.' . . 17839 1 

   stop_

   loop_
      _Task.Task
      _Task.Entry_ID
      _Task.Software_ID

       refinement          17839 1 
      'structure solution' 17839 1 

   stop_

save_


save_SPARKY
   _Software.Sf_category    software
   _Software.Sf_framecode   SPARKY
   _Software.Entry_ID       17839
   _Software.ID             2
   _Software.Name           SPARKY
   _Software.Version        .
   _Software.Details        .

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

      'Goddard et al' . . 17839 2 

   stop_

   loop_
      _Task.Task
      _Task.Entry_ID
      _Task.Software_ID

      'data analysis' 17839 2 

   stop_

save_


save_NMRDraw
   _Software.Sf_category    software
   _Software.Sf_framecode   NMRDraw
   _Software.Entry_ID       17839
   _Software.ID             3
   _Software.Name           NMRDraw
   _Software.Version        .
   _Software.Details        .

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

      'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17839 3 

   stop_

   loop_
      _Task.Task
      _Task.Entry_ID
      _Task.Software_ID

      'processing display' 17839 3 

   stop_

save_


save_NMRPipe
   _Software.Sf_category    software
   _Software.Sf_framecode   NMRPipe
   _Software.Entry_ID       17839
   _Software.ID             4
   _Software.Name           NMRPipe
   _Software.Version        .
   _Software.Details        .

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

      'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17839 4 

   stop_

   loop_
      _Task.Task
      _Task.Entry_ID
      _Task.Software_ID

      'data processing' 17839 4 

   stop_

save_


save_CSI
   _Software.Sf_category    software
   _Software.Sf_framecode   CSI
   _Software.Entry_ID       17839
   _Software.ID             5
   _Software.Name           CSI
   _Software.Version        2.0
   _Software.Details        .

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

      'David Wishart, Brian Sykes' . . 17839 5 

   stop_

   loop_
      _Task.Task
      _Task.Entry_ID
      _Task.Software_ID

      'secondary structure prediction' 17839 5 

   stop_

save_


save_TALOS
   _Software.Sf_category    software
   _Software.Sf_framecode   TALOS
   _Software.Entry_ID       17839
   _Software.ID             6
   _Software.Name           TALOS
   _Software.Version        .
   _Software.Details        .

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

      'Cornilescu, Delaglio and Bax' . . 17839 6 

   stop_

   loop_
      _Task.Task
      _Task.Entry_ID
      _Task.Software_ID

      'dihedral angle restraints determination' 17839 6 

   stop_

save_


save_Molmol
   _Software.Sf_category    software
   _Software.Sf_framecode   Molmol
   _Software.Entry_ID       17839
   _Software.ID             7
   _Software.Name           Molmol
   _Software.Version        .
   _Software.Details        .

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

      'Koradi, Billeter and Wuthrich' . . 17839 7 

   stop_

   loop_
      _Task.Task
      _Task.Entry_ID
      _Task.Software_ID

      'structure display' 17839 7 

   stop_

save_


save_TOPSPIN
   _Software.Sf_category    software
   _Software.Sf_framecode   TOPSPIN
   _Software.Entry_ID       17839
   _Software.ID             8
   _Software.Name           TOPSPIN
   _Software.Version        2.0
   _Software.Details        .

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

      'Bruker Biospin' . . 17839 8 

   stop_

   loop_
      _Task.Task
      _Task.Entry_ID
      _Task.Software_ID

      'data collection' 17839 8 

   stop_

save_


save_NOEID
   _Software.Sf_category    software
   _Software.Sf_framecode   NOEID
   _Software.Entry_ID       17839
   _Software.ID             9
   _Software.Name           NOEID
   _Software.Version        1.20
   _Software.Details       'Home made program'

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

      'Lisa Parsons' . . 17839 9 

   stop_

   loop_
      _Task.Task
      _Task.Entry_ID
      _Task.Software_ID

      'make noesy peak lists and CNS input tables' 17839 9 

   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         17839
   _NMR_spectrometer.ID               1
   _NMR_spectrometer.Details         'with a Z axis gradient 1H/13C/15N triple resonance cryoprobe'
   _NMR_spectrometer.Manufacturer     Bruker
   _NMR_spectrometer.Model            DMX
   _NMR_spectrometer.Serial_number    .
   _NMR_spectrometer.Field_strength   600

save_


save_NMR_spectrometer_list
   _NMR_spectrometer_list.Sf_category    NMR_spectrometer_list
   _NMR_spectrometer_list.Sf_framecode   NMR_spectrometer_list
   _NMR_spectrometer_list.Entry_ID       17839
   _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 DMX . 600 'with a Z axis gradient 1H/13C/15N triple resonance cryoprobe' . . 17839 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       17839
   _Experiment_list.ID             1
   _Experiment_list.Details        .

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

       1 '2D 1H-15N HSQC'            no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17839 1 
       2 '3D CBCA(CO)NH'             no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17839 1 
       3 '3D HNCACB'                 no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17839 1 
       4 '3D C(CO)NH'                no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17839 1 
       5 '3D HNCO'                   no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17839 1 
       6 '3D 1H-15N NOESY'           no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17839 1 
       7 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17839 1 
       8 '3D 1H-13C NOESY aromatic'  no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17839 1 
       9 '3D H(CCO)NH'               no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17839 1 
      10 '3D HBHA(CO)NH'             no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17839 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       17839
   _Chem_shift_reference.ID             1
   _Chem_shift_reference.Details        .

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

      C 13 DSS 'methyl protons' . . . . ppm 0.00 na       indirect 0.251449530 . . . . . . . . . 17839 1 
      H  1 DSS 'methyl protons' . . . . ppm 0.00 internal direct   1.000000000 . . . . . . . . . 17839 1 
      N 15 DSS 'methyl protons' . . . . ppm 0.00 na       indirect 0.101329118 . . . . . . . . . 17839 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                      17839
   _Assigned_chem_shift_list.ID                            1
   _Assigned_chem_shift_list.Sample_condition_list_ID      1
   _Assigned_chem_shift_list.Sample_condition_list_label  $sample_conditions_1
   _Assigned_chem_shift_list.Chem_shift_reference_ID       1
   _Assigned_chem_shift_list.Chem_shift_reference_label   $chemical_shift_reference_1
   _Assigned_chem_shift_list.Chem_shift_1H_err             .
   _Assigned_chem_shift_list.Chem_shift_13C_err            .
   _Assigned_chem_shift_list.Chem_shift_15N_err            .
   _Assigned_chem_shift_list.Chem_shift_31P_err            .
   _Assigned_chem_shift_list.Chem_shift_2H_err             .
   _Assigned_chem_shift_list.Chem_shift_19F_err            .
   _Assigned_chem_shift_list.Error_derivation_method       .
   _Assigned_chem_shift_list.Details                       .
   _Assigned_chem_shift_list.Text_data_format              .
   _Assigned_chem_shift_list.Text_data                     .

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

       1 '2D 1H-15N HSQC'            . . . 17839 1 
       2 '3D CBCA(CO)NH'             . . . 17839 1 
       3 '3D HNCACB'                 . . . 17839 1 
       4 '3D C(CO)NH'                . . . 17839 1 
       5 '3D HNCO'                   . . . 17839 1 
       7 '3D 1H-13C NOESY aliphatic' . . . 17839 1 
       8 '3D 1H-13C NOESY aromatic'  . . . 17839 1 
       9 '3D H(CCO)NH'               . . . 17839 1 
      10 '3D HBHA(CO)NH'             . . . 17839 1 

   stop_

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

        1 . 1 1  1  1 THR C    C 13 173.523 0.5   . 1 . . . A  1 THR C    . 17839 1 
        2 . 1 1  1  1 THR CA   C 13  61.668 0.5   . 1 . . . A  1 THR CA   . 17839 1 
        3 . 1 1  1  1 THR CB   C 13  69.923 0.5   . 1 . . . A  1 THR CB   . 17839 1 
        4 . 1 1  1  1 THR CG2  C 13  21.312 0.5   . 1 . . . A  1 THR CG2  . 17839 1 
        5 . 1 1  2  2 THR H    H  1   7.994 0.005 . 1 . . . A  2 THR H    . 17839 1 
        6 . 1 1  2  2 THR HA   H  1   4.125 0.022 . 1 . . . A  2 THR HA   . 17839 1 
        7 . 1 1  2  2 THR HB   H  1   3.95  0.001 . 1 . . . A  2 THR HB   . 17839 1 
        8 . 1 1  2  2 THR HG21 H  1   0.917 0.032 . 1 . . . A  2 THR HG#  . 17839 1 
        9 . 1 1  2  2 THR HG22 H  1   0.917 0.032 . 1 . . . A  2 THR HG#  . 17839 1 
       10 . 1 1  2  2 THR HG23 H  1   0.917 0.032 . 1 . . . A  2 THR HG#  . 17839 1 
       11 . 1 1  2  2 THR C    C 13 173.743 0.5   . 1 . . . A  2 THR C    . 17839 1 
       12 . 1 1  2  2 THR CA   C 13  61.651 0.156 . 1 . . . A  2 THR CA   . 17839 1 
       13 . 1 1  2  2 THR CB   C 13  69.626 0.124 . 1 . . . A  2 THR CB   . 17839 1 
       14 . 1 1  2  2 THR CG2  C 13  21.312 0.5   . 1 . . . A  2 THR CG2  . 17839 1 
       15 . 1 1  2  2 THR N    N 15 128.64  0.032 . 1 . . . A  2 THR N    . 17839 1 
       16 . 1 1  3  3 TYR H    H  1   8.325 0.013 . 1 . . . A  3 TYR H    . 17839 1 
       17 . 1 1  3  3 TYR HA   H  1   4.182 0.022 . 1 . . . A  3 TYR HA   . 17839 1 
       18 . 1 1  3  3 TYR HB2  H  1   2.69  0.024 . 1 . . . A  3 TYR HB2  . 17839 1 
       19 . 1 1  3  3 TYR HB3  H  1   2.69  0.024 . 1 . . . A  3 TYR HB3  . 17839 1 
       20 . 1 1  3  3 TYR HD1  H  1   6.896 0.05  . 1 . . . A  3 TYR HD1  . 17839 1 
       21 . 1 1  3  3 TYR HD2  H  1   6.896 0.05  . 1 . . . A  3 TYR HD2  . 17839 1 
       22 . 1 1  3  3 TYR HE1  H  1   6.649 0.11  . 1 . . . A  3 TYR HE1  . 17839 1 
       23 . 1 1  3  3 TYR HE2  H  1   6.649 0.11  . 1 . . . A  3 TYR HE2  . 17839 1 
       24 . 1 1  3  3 TYR C    C 13 175.675 0.5   . 1 . . . A  3 TYR C    . 17839 1 
       25 . 1 1  3  3 TYR CA   C 13  58.3   0.058 . 1 . . . A  3 TYR CA   . 17839 1 
       26 . 1 1  3  3 TYR CB   C 13  38.518 0.095 . 1 . . . A  3 TYR CB   . 17839 1 
       27 . 1 1  3  3 TYR CE1  C 13 118.066 0.5   . 1 . . . A  3 TYR CE1  . 17839 1 
       28 . 1 1  3  3 TYR CE2  C 13 118.066 0.5   . 1 . . . A  3 TYR CE2  . 17839 1 
       29 . 1 1  3  3 TYR N    N 15 124.112 0.042 . 1 . . . A  3 TYR N    . 17839 1 
       30 . 1 1  4  4 LYS H    H  1   8.027 0.032 . 1 . . . A  4 LYS H    . 17839 1 
       31 . 1 1  4  4 LYS HA   H  1   3.883 0.026 . 1 . . . A  4 LYS HA   . 17839 1 
       32 . 1 1  4  4 LYS HB2  H  1   1.436 0.019 . 1 . . . A  4 LYS HB2  . 17839 1 
       33 . 1 1  4  4 LYS HB3  H  1   1.436 0.019 . 1 . . . A  4 LYS HB3  . 17839 1 
       34 . 1 1  4  4 LYS HG2  H  1   0.993 0.008 . 1 . . . A  4 LYS HG2  . 17839 1 
       35 . 1 1  4  4 LYS HG3  H  1   0.993 0.008 . 1 . . . A  4 LYS HG3  . 17839 1 
       36 . 1 1  4  4 LYS HE2  H  1   2.709 0.05  . 1 . . . A  4 LYS HE2  . 17839 1 
       37 . 1 1  4  4 LYS HE3  H  1   2.709 0.05  . 1 . . . A  4 LYS HE3  . 17839 1 
       38 . 1 1  4  4 LYS C    C 13 175.923 0.5   . 1 . . . A  4 LYS C    . 17839 1 
       39 . 1 1  4  4 LYS CA   C 13  56.423 0.023 . 1 . . . A  4 LYS CA   . 17839 1 
       40 . 1 1  4  4 LYS CB   C 13  32.767 0.213 . 1 . . . A  4 LYS CB   . 17839 1 
       41 . 1 1  4  4 LYS CG   C 13  24.371 0.5   . 1 . . . A  4 LYS CG   . 17839 1 
       42 . 1 1  4  4 LYS CD   C 13  28.938 0.5   . 1 . . . A  4 LYS CD   . 17839 1 
       43 . 1 1  4  4 LYS CE   C 13  38.978 0.5   . 1 . . . A  4 LYS CE   . 17839 1 
       44 . 1 1  4  4 LYS N    N 15 122.769 0.5   . 1 . . . A  4 LYS N    . 17839 1 
       45 . 1 1  5  5 LEU H    H  1   7.919 0.028 . 1 . . . A  5 LEU H    . 17839 1 
       46 . 1 1  5  5 LEU HA   H  1   4.06  0.018 . 1 . . . A  5 LEU HA   . 17839 1 
       47 . 1 1  5  5 LEU HB2  H  1   1.399 0.016 . 1 . . . A  5 LEU HB2  . 17839 1 
       48 . 1 1  5  5 LEU HB3  H  1   1.399 0.016 . 1 . . . A  5 LEU HB3  . 17839 1 
       49 . 1 1  5  5 LEU HG   H  1   1.489 0.024 . 1 . . . A  5 LEU HG   . 17839 1 
       50 . 1 1  5  5 LEU HD11 H  1   0.637 0.009 . 2 . . . A  5 LEU HD1  . 17839 1 
       51 . 1 1  5  5 LEU HD12 H  1   0.637 0.009 . 2 . . . A  5 LEU HD1  . 17839 1 
       52 . 1 1  5  5 LEU HD13 H  1   0.637 0.009 . 2 . . . A  5 LEU HD1  . 17839 1 
       53 . 1 1  5  5 LEU C    C 13 177.167 0.5   . 1 . . . A  5 LEU C    . 17839 1 
       54 . 1 1  5  5 LEU CA   C 13  55.289 0.002 . 1 . . . A  5 LEU CA   . 17839 1 
       55 . 1 1  5  5 LEU CB   C 13  42.015 0.039 . 1 . . . A  5 LEU CB   . 17839 1 
       56 . 1 1  5  5 LEU CG   C 13  27.181 0.5   . 1 . . . A  5 LEU CG   . 17839 1 
       57 . 1 1  5  5 LEU CD1  C 13  23.786 0.5   . 1 . . . A  5 LEU CD1  . 17839 1 
       58 . 1 1  5  5 LEU N    N 15 122.314 0.012 . 1 . . . A  5 LEU N    . 17839 1 
       59 . 1 1  6  6 ILE H    H  1   7.998 0.026 . 1 . . . A  6 ILE H    . 17839 1 
       60 . 1 1  6  6 ILE HA   H  1   3.865 0.026 . 1 . . . A  6 ILE HA   . 17839 1 
       61 . 1 1  6  6 ILE HB   H  1   1.703 0.016 . 1 . . . A  6 ILE HB   . 17839 1 
       62 . 1 1  6  6 ILE HG12 H  1   1.298 0.044 . 1 . . . A  6 ILE HG12 . 17839 1 
       63 . 1 1  6  6 ILE HG13 H  1   1.298 0.044 . 1 . . . A  6 ILE HG13 . 17839 1 
       64 . 1 1  6  6 ILE HD11 H  1   0.655 0.02  . 1 . . . A  6 ILE HD1  . 17839 1 
       65 . 1 1  6  6 ILE HD12 H  1   0.655 0.02  . 1 . . . A  6 ILE HD1  . 17839 1 
       66 . 1 1  6  6 ILE HD13 H  1   0.655 0.02  . 1 . . . A  6 ILE HD1  . 17839 1 
       67 . 1 1  6  6 ILE C    C 13 176.231 0.5   . 1 . . . A  6 ILE C    . 17839 1 
       68 . 1 1  6  6 ILE CA   C 13  61.39  0.22  . 1 . . . A  6 ILE CA   . 17839 1 
       69 . 1 1  6  6 ILE CB   C 13  37.859 0.036 . 1 . . . A  6 ILE CB   . 17839 1 
       70 . 1 1  6  6 ILE CG1  C 13  27.503 0.5   . 1 . . . A  6 ILE CG1  . 17839 1 
       71 . 1 1  6  6 ILE CD1  C 13  17.229 0.5   . 1 . . . A  6 ILE CD1  . 17839 1 
       72 . 1 1  6  6 ILE N    N 15 122.789 0.5   . 1 . . . A  6 ILE N    . 17839 1 
       73 . 1 1  7  7 LEU H    H  1   8.099 0.015 . 1 . . . A  7 LEU H    . 17839 1 
       74 . 1 1  7  7 LEU HA   H  1   4.18  0.018 . 1 . . . A  7 LEU HA   . 17839 1 
       75 . 1 1  7  7 LEU HB2  H  1   1.436 0.026 . 1 . . . A  7 LEU HB2  . 17839 1 
       76 . 1 1  7  7 LEU HB3  H  1   1.436 0.026 . 1 . . . A  7 LEU HB3  . 17839 1 
       77 . 1 1  7  7 LEU HG   H  1   1.556 0.034 . 1 . . . A  7 LEU HG   . 17839 1 
       78 . 1 1  7  7 LEU HD11 H  1   0.653 0.05  . 2 . . . A  7 LEU HD1  . 17839 1 
       79 . 1 1  7  7 LEU HD12 H  1   0.653 0.05  . 2 . . . A  7 LEU HD1  . 17839 1 
       80 . 1 1  7  7 LEU HD13 H  1   0.653 0.05  . 2 . . . A  7 LEU HD1  . 17839 1 
       81 . 1 1  7  7 LEU C    C 13 177.079 0.5   . 1 . . . A  7 LEU C    . 17839 1 
       82 . 1 1  7  7 LEU CA   C 13  55.056 0.039 . 1 . . . A  7 LEU CA   . 17839 1 
       83 . 1 1  7  7 LEU CB   C 13  42.718 0.039 . 1 . . . A  7 LEU CB   . 17839 1 
       84 . 1 1  7  7 LEU CG   C 13  25.21  0.097 . 1 . . . A  7 LEU CG   . 17839 1 
       85 . 1 1  7  7 LEU N    N 15 125.831 0.047 . 1 . . . A  7 LEU N    . 17839 1 
       86 . 1 1  8  8 ASN H    H  1   8.058 0.029 . 1 . . . A  8 ASN H    . 17839 1 
       87 . 1 1  8  8 ASN HA   H  1   4.474 0.025 . 1 . . . A  8 ASN HA   . 17839 1 
       88 . 1 1  8  8 ASN HB2  H  1   2.852 0.03  . 2 . . . A  8 ASN HB2  . 17839 1 
       89 . 1 1  8  8 ASN HB3  H  1   2.661 0.019 . 2 . . . A  8 ASN HB3  . 17839 1 
       90 . 1 1  8  8 ASN C    C 13 175.25  0.5   . 1 . . . A  8 ASN C    . 17839 1 
       91 . 1 1  8  8 ASN CA   C 13  52.483 0.088 . 1 . . . A  8 ASN CA   . 17839 1 
       92 . 1 1  8  8 ASN CB   C 13  38.877 0.102 . 1 . . . A  8 ASN CB   . 17839 1 
       93 . 1 1  8  8 ASN N    N 15 118.052 0.066 . 1 . . . A  8 ASN N    . 17839 1 
       94 . 1 1  9  9 LEU H    H  1   8.251 0.01  . 1 . . . A  9 LEU H    . 17839 1 
       95 . 1 1  9  9 LEU HA   H  1   3.652 0.016 . 1 . . . A  9 LEU HA   . 17839 1 
       96 . 1 1  9  9 LEU HB2  H  1   1.213 0.074 . 1 . . . A  9 LEU HB2  . 17839 1 
       97 . 1 1  9  9 LEU HB3  H  1   1.213 0.074 . 1 . . . A  9 LEU HB3  . 17839 1 
       98 . 1 1  9  9 LEU HG   H  1   1.673 0.05  . 1 . . . A  9 LEU HG   . 17839 1 
       99 . 1 1  9  9 LEU HD11 H  1   0.319 0.015 . 2 . . . A  9 LEU HD1  . 17839 1 
      100 . 1 1  9  9 LEU HD12 H  1   0.319 0.015 . 2 . . . A  9 LEU HD1  . 17839 1 
      101 . 1 1  9  9 LEU HD13 H  1   0.319 0.015 . 2 . . . A  9 LEU HD1  . 17839 1 
      102 . 1 1  9  9 LEU C    C 13 177.065 0.5   . 1 . . . A  9 LEU C    . 17839 1 
      103 . 1 1  9  9 LEU CA   C 13  58.524 0.021 . 1 . . . A  9 LEU CA   . 17839 1 
      104 . 1 1  9  9 LEU CB   C 13  41.95  0.1   . 1 . . . A  9 LEU CB   . 17839 1 
      105 . 1 1  9  9 LEU CG   C 13  25.524 0.111 . 1 . . . A  9 LEU CG   . 17839 1 
      106 . 1 1  9  9 LEU CD1  C 13  23.405 0.5   . 1 . . . A  9 LEU CD1  . 17839 1 
      107 . 1 1  9  9 LEU N    N 15 121.908 0.019 . 1 . . . A  9 LEU N    . 17839 1 
      108 . 1 1 10 10 LYS H    H  1   7.94  0.012 . 1 . . . A 10 LYS H    . 17839 1 
      109 . 1 1 10 10 LYS HA   H  1   3.66  0.013 . 1 . . . A 10 LYS HA   . 17839 1 
      110 . 1 1 10 10 LYS HB2  H  1   1.712 0.029 . 1 . . . A 10 LYS HB2  . 17839 1 
      111 . 1 1 10 10 LYS HB3  H  1   1.712 0.029 . 1 . . . A 10 LYS HB3  . 17839 1 
      112 . 1 1 10 10 LYS HD2  H  1   1.26  0.05  . 1 . . . A 10 LYS HD2  . 17839 1 
      113 . 1 1 10 10 LYS HD3  H  1   1.26  0.05  . 1 . . . A 10 LYS HD3  . 17839 1 
      114 . 1 1 10 10 LYS C    C 13 178.689 0.5   . 1 . . . A 10 LYS C    . 17839 1 
      115 . 1 1 10 10 LYS CA   C 13  59.8   0.161 . 1 . . . A 10 LYS CA   . 17839 1 
      116 . 1 1 10 10 LYS CB   C 13  32.269 0.12  . 1 . . . A 10 LYS CB   . 17839 1 
      117 . 1 1 10 10 LYS CG   C 13  25.191 0.5   . 1 . . . A 10 LYS CG   . 17839 1 
      118 . 1 1 10 10 LYS CE   C 13  42.081 0.5   . 1 . . . A 10 LYS CE   . 17839 1 
      119 . 1 1 10 10 LYS N    N 15 118.87  0.11  . 1 . . . A 10 LYS N    . 17839 1 
      120 . 1 1 11 11 GLN H    H  1   7.549 0.024 . 1 . . . A 11 GLN H    . 17839 1 
      121 . 1 1 11 11 GLN HA   H  1   3.897 0.022 . 1 . . . A 11 GLN HA   . 17839 1 
      122 . 1 1 11 11 GLN HB2  H  1   1.992 0.051 . 1 . . . A 11 GLN HB2  . 17839 1 
      123 . 1 1 11 11 GLN HB3  H  1   1.992 0.051 . 1 . . . A 11 GLN HB3  . 17839 1 
      124 . 1 1 11 11 GLN HG2  H  1   2.238 0.082 . 2 . . . A 11 GLN HG2  . 17839 1 
      125 . 1 1 11 11 GLN HG3  H  1   2.385 0.006 . 2 . . . A 11 GLN HG3  . 17839 1 
      126 . 1 1 11 11 GLN C    C 13 179.084 0.5   . 1 . . . A 11 GLN C    . 17839 1 
      127 . 1 1 11 11 GLN CA   C 13  59.185 0.152 . 1 . . . A 11 GLN CA   . 17839 1 
      128 . 1 1 11 11 GLN CB   C 13  29.471 0.133 . 1 . . . A 11 GLN CB   . 17839 1 
      129 . 1 1 11 11 GLN CG   C 13  33.199 0.06  . 1 . . . A 11 GLN CG   . 17839 1 
      130 . 1 1 11 11 GLN N    N 15 117.959 0.5   . 1 . . . A 11 GLN N    . 17839 1 
      131 . 1 1 12 12 ALA H    H  1   8.363 0.015 . 1 . . . A 12 ALA H    . 17839 1 
      132 . 1 1 12 12 ALA HA   H  1   3.903 0.02  . 1 . . . A 12 ALA HA   . 17839 1 
      133 . 1 1 12 12 ALA HB1  H  1   1.101 0.032 . 1 . . . A 12 ALA HB   . 17839 1 
      134 . 1 1 12 12 ALA HB2  H  1   1.101 0.032 . 1 . . . A 12 ALA HB   . 17839 1 
      135 . 1 1 12 12 ALA HB3  H  1   1.101 0.032 . 1 . . . A 12 ALA HB   . 17839 1 
      136 . 1 1 12 12 ALA C    C 13 179.596 0.5   . 1 . . . A 12 ALA C    . 17839 1 
      137 . 1 1 12 12 ALA CA   C 13  55.423 0.022 . 1 . . . A 12 ALA CA   . 17839 1 
      138 . 1 1 12 12 ALA CB   C 13  18.216 0.064 . 1 . . . A 12 ALA CB   . 17839 1 
      139 . 1 1 12 12 ALA N    N 15 122.975 0.5   . 1 . . . A 12 ALA N    . 17839 1 
      140 . 1 1 13 13 LYS H    H  1   8.097 0.026 . 1 . . . A 13 LYS H    . 17839 1 
      141 . 1 1 13 13 LYS HA   H  1   3.337 0.085 . 1 . . . A 13 LYS HA   . 17839 1 
      142 . 1 1 13 13 LYS HB2  H  1   1.626 0.061 . 1 . . . A 13 LYS HB2  . 17839 1 
      143 . 1 1 13 13 LYS HB3  H  1   1.626 0.061 . 1 . . . A 13 LYS HB3  . 17839 1 
      144 . 1 1 13 13 LYS HD2  H  1   1.418 0.028 . 1 . . . A 13 LYS HD2  . 17839 1 
      145 . 1 1 13 13 LYS HD3  H  1   1.418 0.028 . 1 . . . A 13 LYS HD3  . 17839 1 
      146 . 1 1 13 13 LYS C    C 13 177.621 0.5   . 1 . . . A 13 LYS C    . 17839 1 
      147 . 1 1 13 13 LYS CA   C 13  60.687 0.157 . 1 . . . A 13 LYS CA   . 17839 1 
      148 . 1 1 13 13 LYS CB   C 13  32.883 0.028 . 1 . . . A 13 LYS CB   . 17839 1 
      149 . 1 1 13 13 LYS CE   C 13  41.993 0.5   . 1 . . . A 13 LYS CE   . 17839 1 
      150 . 1 1 13 13 LYS N    N 15 116.93  0.012 . 1 . . . A 13 LYS N    . 17839 1 
      151 . 1 1 14 14 GLU H    H  1   7.582 0.022 . 1 . . . A 14 GLU H    . 17839 1 
      152 . 1 1 14 14 GLU HA   H  1   3.714 0.073 . 1 . . . A 14 GLU HA   . 17839 1 
      153 . 1 1 14 14 GLU HB2  H  1   1.88  0.018 . 1 . . . A 14 GLU HB2  . 17839 1 
      154 . 1 1 14 14 GLU HB3  H  1   1.88  0.018 . 1 . . . A 14 GLU HB3  . 17839 1 
      155 . 1 1 14 14 GLU HG2  H  1   2.245 0.009 . 1 . . . A 14 GLU HG2  . 17839 1 
      156 . 1 1 14 14 GLU HG3  H  1   2.245 0.009 . 1 . . . A 14 GLU HG3  . 17839 1 
      157 . 1 1 14 14 GLU C    C 13 180.065 0.5   . 1 . . . A 14 GLU C    . 17839 1 
      158 . 1 1 14 14 GLU CA   C 13  59.584 0.023 . 1 . . . A 14 GLU CA   . 17839 1 
      159 . 1 1 14 14 GLU CB   C 13  29.189 0.189 . 1 . . . A 14 GLU CB   . 17839 1 
      160 . 1 1 14 14 GLU CG   C 13  36.402 0.5   . 1 . . . A 14 GLU CG   . 17839 1 
      161 . 1 1 14 14 GLU N    N 15 116.977 0.5   . 1 . . . A 14 GLU N    . 17839 1 
      162 . 1 1 15 15 GLU H    H  1   8.313 0.035 . 1 . . . A 15 GLU H    . 17839 1 
      163 . 1 1 15 15 GLU HA   H  1   3.909 0.024 . 1 . . . A 15 GLU HA   . 17839 1 
      164 . 1 1 15 15 GLU HB2  H  1   1.959 0.039 . 1 . . . A 15 GLU HB2  . 17839 1 
      165 . 1 1 15 15 GLU HB3  H  1   1.959 0.039 . 1 . . . A 15 GLU HB3  . 17839 1 
      166 . 1 1 15 15 GLU HG2  H  1   2.158 0.063 . 2 . . . A 15 GLU HG2  . 17839 1 
      167 . 1 1 15 15 GLU HG3  H  1   2.358 0.044 . 2 . . . A 15 GLU HG3  . 17839 1 
      168 . 1 1 15 15 GLU C    C 13 178.367 0.5   . 1 . . . A 15 GLU C    . 17839 1 
      169 . 1 1 15 15 GLU CA   C 13  58.599 0.23  . 1 . . . A 15 GLU CA   . 17839 1 
      170 . 1 1 15 15 GLU CB   C 13  29.035 0.031 . 1 . . . A 15 GLU CB   . 17839 1 
      171 . 1 1 15 15 GLU CG   C 13  33.416 0.5   . 1 . . . A 15 GLU CG   . 17839 1 
      172 . 1 1 15 15 GLU N    N 15 119.464 0.015 . 1 . . . A 15 GLU N    . 17839 1 
      173 . 1 1 16 16 ALA H    H  1   8.427 0.029 . 1 . . . A 16 ALA H    . 17839 1 
      174 . 1 1 16 16 ALA HA   H  1   3.778 0.012 . 1 . . . A 16 ALA HA   . 17839 1 
      175 . 1 1 16 16 ALA HB1  H  1   0.949 0.024 . 1 . . . A 16 ALA HB   . 17839 1 
      176 . 1 1 16 16 ALA HB2  H  1   0.949 0.024 . 1 . . . A 16 ALA HB   . 17839 1 
      177 . 1 1 16 16 ALA HB3  H  1   0.949 0.024 . 1 . . . A 16 ALA HB   . 17839 1 
      178 . 1 1 16 16 ALA C    C 13 179.245 0.5   . 1 . . . A 16 ALA C    . 17839 1 
      179 . 1 1 16 16 ALA CA   C 13  55.332 0.04  . 1 . . . A 16 ALA CA   . 17839 1 
      180 . 1 1 16 16 ALA CB   C 13  18.756 0.5   . 1 . . . A 16 ALA CB   . 17839 1 
      181 . 1 1 16 16 ALA N    N 15 122.073 0.003 . 1 . . . A 16 ALA N    . 17839 1 
      182 . 1 1 17 17 ILE H    H  1   8.177 0.014 . 1 . . . A 17 ILE H    . 17839 1 
      183 . 1 1 17 17 ILE HA   H  1   3.099 0.015 . 1 . . . A 17 ILE HA   . 17839 1 
      184 . 1 1 17 17 ILE HB   H  1   1.574 0.013 . 1 . . . A 17 ILE HB   . 17839 1 
      185 . 1 1 17 17 ILE HG21 H  1   0.774 0.01  . 1 . . . A 17 ILE HG2  . 17839 1 
      186 . 1 1 17 17 ILE HG22 H  1   0.774 0.01  . 1 . . . A 17 ILE HG2  . 17839 1 
      187 . 1 1 17 17 ILE HG23 H  1   0.774 0.01  . 1 . . . A 17 ILE HG2  . 17839 1 
      188 . 1 1 17 17 ILE HD11 H  1   0.496 0.05  . 1 . . . A 17 ILE HD1  . 17839 1 
      189 . 1 1 17 17 ILE HD12 H  1   0.496 0.05  . 1 . . . A 17 ILE HD1  . 17839 1 
      190 . 1 1 17 17 ILE HD13 H  1   0.496 0.05  . 1 . . . A 17 ILE HD1  . 17839 1 
      191 . 1 1 17 17 ILE C    C 13 177.196 0.5   . 1 . . . A 17 ILE C    . 17839 1 
      192 . 1 1 17 17 ILE CA   C 13  65.069 0.053 . 1 . . . A 17 ILE CA   . 17839 1 
      193 . 1 1 17 17 ILE CB   C 13  36.634 0.02  . 1 . . . A 17 ILE CB   . 17839 1 
      194 . 1 1 17 17 ILE N    N 15 117.151 0.032 . 1 . . . A 17 ILE N    . 17839 1 
      195 . 1 1 18 18 LYS H    H  1   7.525 0.017 . 1 . . . A 18 LYS H    . 17839 1 
      196 . 1 1 18 18 LYS HA   H  1   3.669 0.036 . 1 . . . A 18 LYS HA   . 17839 1 
      197 . 1 1 18 18 LYS HB2  H  1   1.648 0.012 . 1 . . . A 18 LYS HB2  . 17839 1 
      198 . 1 1 18 18 LYS HB3  H  1   1.648 0.012 . 1 . . . A 18 LYS HB3  . 17839 1 
      199 . 1 1 18 18 LYS C    C 13 178.279 0.5   . 1 . . . A 18 LYS C    . 17839 1 
      200 . 1 1 18 18 LYS CA   C 13  59.975 0.5   . 1 . . . A 18 LYS CA   . 17839 1 
      201 . 1 1 18 18 LYS CB   C 13  32.015 0.174 . 1 . . . A 18 LYS CB   . 17839 1 
      202 . 1 1 18 18 LYS N    N 15 119.317 0.009 . 1 . . . A 18 LYS N    . 17839 1 
      203 . 1 1 19 19 GLU H    H  1   8.226 0.021 . 1 . . . A 19 GLU H    . 17839 1 
      204 . 1 1 19 19 GLU HA   H  1   3.925 0.038 . 1 . . . A 19 GLU HA   . 17839 1 
      205 . 1 1 19 19 GLU HB2  H  1   1.991 0.002 . 2 . . . A 19 GLU HB2  . 17839 1 
      206 . 1 1 19 19 GLU HB3  H  1   1.822 0.067 . 2 . . . A 19 GLU HB3  . 17839 1 
      207 . 1 1 19 19 GLU HG2  H  1   1.979 0.039 . 1 . . . A 19 GLU HG2  . 17839 1 
      208 . 1 1 19 19 GLU HG3  H  1   1.979 0.039 . 1 . . . A 19 GLU HG3  . 17839 1 
      209 . 1 1 19 19 GLU C    C 13 178.104 0.5   . 1 . . . A 19 GLU C    . 17839 1 
      210 . 1 1 19 19 GLU CA   C 13  58.905 0.124 . 1 . . . A 19 GLU CA   . 17839 1 
      211 . 1 1 19 19 GLU CB   C 13  28.531 0.5   . 1 . . . A 19 GLU CB   . 17839 1 
      212 . 1 1 19 19 GLU CG   C 13  36.285 0.5   . 1 . . . A 19 GLU CG   . 17839 1 
      213 . 1 1 19 19 GLU N    N 15 119.267 0.5   . 1 . . . A 19 GLU N    . 17839 1 
      214 . 1 1 20 20 LEU H    H  1   8.018 0.017 . 1 . . . A 20 LEU H    . 17839 1 
      215 . 1 1 20 20 LEU HA   H  1   3.923 0.005 . 1 . . . A 20 LEU HA   . 17839 1 
      216 . 1 1 20 20 LEU HD11 H  1   0.592 0.061 . 2 . . . A 20 LEU HD1  . 17839 1 
      217 . 1 1 20 20 LEU HD12 H  1   0.592 0.061 . 2 . . . A 20 LEU HD1  . 17839 1 
      218 . 1 1 20 20 LEU HD13 H  1   0.592 0.061 . 2 . . . A 20 LEU HD1  . 17839 1 
      219 . 1 1 20 20 LEU C    C 13 179.991 0.5   . 1 . . . A 20 LEU C    . 17839 1 
      220 . 1 1 20 20 LEU CA   C 13  58.102 0.5   . 1 . . . A 20 LEU CA   . 17839 1 
      221 . 1 1 20 20 LEU CB   C 13  40.825 0.5   . 1 . . . A 20 LEU CB   . 17839 1 
      222 . 1 1 20 20 LEU N    N 15 120.447 0.034 . 1 . . . A 20 LEU N    . 17839 1 
      223 . 1 1 21 21 VAL H    H  1   9.048 0.021 . 1 . . . A 21 VAL H    . 17839 1 
      224 . 1 1 21 21 VAL HA   H  1   3.818 0.074 . 1 . . . A 21 VAL HA   . 17839 1 
      225 . 1 1 21 21 VAL HB   H  1   2.142 0.073 . 1 . . . A 21 VAL HB   . 17839 1 
      226 . 1 1 21 21 VAL HG11 H  1   0.768 0.038 . 2 . . . A 21 VAL HG1  . 17839 1 
      227 . 1 1 21 21 VAL HG12 H  1   0.768 0.038 . 2 . . . A 21 VAL HG1  . 17839 1 
      228 . 1 1 21 21 VAL HG13 H  1   0.768 0.038 . 2 . . . A 21 VAL HG1  . 17839 1 
      229 . 1 1 21 21 VAL C    C 13 177.431 0.5   . 1 . . . A 21 VAL C    . 17839 1 
      230 . 1 1 21 21 VAL CA   C 13  66.379 0.016 . 1 . . . A 21 VAL CA   . 17839 1 
      231 . 1 1 21 21 VAL CB   C 13  31.987 0.5   . 1 . . . A 21 VAL CB   . 17839 1 
      232 . 1 1 21 21 VAL CG1  C 13  23.127 0.5   . 1 . . . A 21 VAL CG1  . 17839 1 
      233 . 1 1 21 21 VAL N    N 15 124.479 0.5   . 1 . . . A 21 VAL N    . 17839 1 
      234 . 1 1 22 22 ASP H    H  1   8.077 0.021 . 1 . . . A 22 ASP H    . 17839 1 
      235 . 1 1 22 22 ASP HA   H  1   3.944 0.017 . 1 . . . A 22 ASP HA   . 17839 1 
      236 . 1 1 22 22 ASP HB2  H  1   2.666 0.006 . 2 . . . A 22 ASP HB2  . 17839 1 
      237 . 1 1 22 22 ASP HB3  H  1   2.497 0.021 . 2 . . . A 22 ASP HB3  . 17839 1 
      238 . 1 1 22 22 ASP C    C 13 179.713 0.5   . 1 . . . A 22 ASP C    . 17839 1 
      239 . 1 1 22 22 ASP CA   C 13  57.116 0.156 . 1 . . . A 22 ASP CA   . 17839 1 
      240 . 1 1 22 22 ASP CB   C 13  39.5   0.167 . 1 . . . A 22 ASP CB   . 17839 1 
      241 . 1 1 22 22 ASP N    N 15 121.941 0.5   . 1 . . . A 22 ASP N    . 17839 1 
      242 . 1 1 23 23 ALA H    H  1   6.897 0.015 . 1 . . . A 23 ALA H    . 17839 1 
      243 . 1 1 23 23 ALA HA   H  1   4.18  0.085 . 1 . . . A 23 ALA HA   . 17839 1 
      244 . 1 1 23 23 ALA HB1  H  1   1.327 0.042 . 1 . . . A 23 ALA HB   . 17839 1 
      245 . 1 1 23 23 ALA HB2  H  1   1.327 0.042 . 1 . . . A 23 ALA HB   . 17839 1 
      246 . 1 1 23 23 ALA HB3  H  1   1.327 0.042 . 1 . . . A 23 ALA HB   . 17839 1 
      247 . 1 1 23 23 ALA C    C 13 177.855 0.5   . 1 . . . A 23 ALA C    . 17839 1 
      248 . 1 1 23 23 ALA CA   C 13  52.301 0.5   . 1 . . . A 23 ALA CA   . 17839 1 
      249 . 1 1 23 23 ALA CB   C 13  18.99  0.5   . 1 . . . A 23 ALA CB   . 17839 1 
      250 . 1 1 23 23 ALA N    N 15 116.831 0.5   . 1 . . . A 23 ALA N    . 17839 1 
      251 . 1 1 24 24 GLY H    H  1   8.002 0.006 . 1 . . . A 24 GLY H    . 17839 1 
      252 . 1 1 24 24 GLY HA2  H  1   3.949 0.03  . 2 . . . A 24 GLY HA2  . 17839 1 
      253 . 1 1 24 24 GLY HA3  H  1   3.745 0.009 . 2 . . . A 24 GLY HA3  . 17839 1 
      254 . 1 1 24 24 GLY C    C 13 174.665 0.5   . 1 . . . A 24 GLY C    . 17839 1 
      255 . 1 1 24 24 GLY CA   C 13  45.811 0.067 . 1 . . . A 24 GLY CA   . 17839 1 
      256 . 1 1 24 24 GLY N    N 15 107.83  0.035 . 1 . . . A 24 GLY N    . 17839 1 
      257 . 1 1 25 25 THR H    H  1   7.784 0.018 . 1 . . . A 25 THR H    . 17839 1 
      258 . 1 1 25 25 THR HA   H  1   3.818 0.062 . 1 . . . A 25 THR HA   . 17839 1 
      259 . 1 1 25 25 THR HB   H  1   3.59  0.044 . 1 . . . A 25 THR HB   . 17839 1 
      260 . 1 1 25 25 THR HG21 H  1   1.298 0.035 . 1 . . . A 25 THR HG2  . 17839 1 
      261 . 1 1 25 25 THR HG22 H  1   1.298 0.035 . 1 . . . A 25 THR HG2  . 17839 1 
      262 . 1 1 25 25 THR HG23 H  1   1.298 0.035 . 1 . . . A 25 THR HG2  . 17839 1 
      263 . 1 1 25 25 THR C    C 13 173.187 0.5   . 1 . . . A 25 THR C    . 17839 1 
      264 . 1 1 25 25 THR CA   C 13  64.001 0.009 . 1 . . . A 25 THR CA   . 17839 1 
      265 . 1 1 25 25 THR CB   C 13  69.674 0.073 . 1 . . . A 25 THR CB   . 17839 1 
      266 . 1 1 25 25 THR N    N 15 117.914 0.025 . 1 . . . A 25 THR N    . 17839 1 
      267 . 1 1 26 26 ALA H    H  1   8.749 0.018 . 1 . . . A 26 ALA H    . 17839 1 
      268 . 1 1 26 26 ALA HA   H  1   3.997 0.034 . 1 . . . A 26 ALA HA   . 17839 1 
      269 . 1 1 26 26 ALA HB1  H  1   1.258 0.024 . 1 . . . A 26 ALA HB   . 17839 1 
      270 . 1 1 26 26 ALA HB2  H  1   1.258 0.024 . 1 . . . A 26 ALA HB   . 17839 1 
      271 . 1 1 26 26 ALA HB3  H  1   1.258 0.024 . 1 . . . A 26 ALA HB   . 17839 1 
      272 . 1 1 26 26 ALA C    C 13 177.884 0.5   . 1 . . . A 26 ALA C    . 17839 1 
      273 . 1 1 26 26 ALA CA   C 13  53.109 0.017 . 1 . . . A 26 ALA CA   . 17839 1 
      274 . 1 1 26 26 ALA CB   C 13  18.868 0.079 . 1 . . . A 26 ALA CB   . 17839 1 
      275 . 1 1 26 26 ALA N    N 15 128.48  0.009 . 1 . . . A 26 ALA N    . 17839 1 
      276 . 1 1 27 27 GLU H    H  1   8.15  0.024 . 1 . . . A 27 GLU H    . 17839 1 
      277 . 1 1 27 27 GLU HA   H  1   2.239 0.038 . 1 . . . A 27 GLU HA   . 17839 1 
      278 . 1 1 27 27 GLU HB2  H  1   1.548 0.012 . 1 . . . A 27 GLU HB2  . 17839 1 
      279 . 1 1 27 27 GLU HB3  H  1   1.548 0.012 . 1 . . . A 27 GLU HB3  . 17839 1 
      280 . 1 1 27 27 GLU HG2  H  1   1.889 0.028 . 1 . . . A 27 GLU HG2  . 17839 1 
      281 . 1 1 27 27 GLU HG3  H  1   1.889 0.028 . 1 . . . A 27 GLU HG3  . 17839 1 
      282 . 1 1 27 27 GLU C    C 13 178.631 0.5   . 1 . . . A 27 GLU C    . 17839 1 
      283 . 1 1 27 27 GLU CA   C 13  57.838 0.12  . 1 . . . A 27 GLU CA   . 17839 1 
      284 . 1 1 27 27 GLU CB   C 13  28.918 0.071 . 1 . . . A 27 GLU CB   . 17839 1 
      285 . 1 1 27 27 GLU CG   C 13  35.919 0.5   . 1 . . . A 27 GLU CG   . 17839 1 
      286 . 1 1 27 27 GLU N    N 15 120.909 0.045 . 1 . . . A 27 GLU N    . 17839 1 
      287 . 1 1 28 28 LYS H    H  1   7.989 0.011 . 1 . . . A 28 LYS H    . 17839 1 
      288 . 1 1 28 28 LYS HA   H  1   3.789 0.04  . 1 . . . A 28 LYS HA   . 17839 1 
      289 . 1 1 28 28 LYS HB2  H  1   2.21  0.013 . 1 . . . A 28 LYS HB2  . 17839 1 
      290 . 1 1 28 28 LYS HB3  H  1   2.21  0.013 . 1 . . . A 28 LYS HB3  . 17839 1 
      291 . 1 1 28 28 LYS HD2  H  1   1.406 0.089 . 1 . . . A 28 LYS HD2  . 17839 1 
      292 . 1 1 28 28 LYS HD3  H  1   1.406 0.089 . 1 . . . A 28 LYS HD3  . 17839 1 
      293 . 1 1 28 28 LYS C    C 13 177.211 0.5   . 1 . . . A 28 LYS C    . 17839 1 
      294 . 1 1 28 28 LYS CA   C 13  58.09  0.01  . 1 . . . A 28 LYS CA   . 17839 1 
      295 . 1 1 28 28 LYS CB   C 13  30.996 0.26  . 1 . . . A 28 LYS CB   . 17839 1 
      296 . 1 1 28 28 LYS N    N 15 117.447 0.02  . 1 . . . A 28 LYS N    . 17839 1 
      297 . 1 1 29 29 TYR H    H  1   7.273 0.019 . 1 . . . A 29 TYR H    . 17839 1 
      298 . 1 1 29 29 TYR HA   H  1   4.387 0.024 . 1 . . . A 29 TYR HA   . 17839 1 
      299 . 1 1 29 29 TYR HB2  H  1   3.103 0.039 . 2 . . . A 29 TYR HB2  . 17839 1 
      300 . 1 1 29 29 TYR HB3  H  1   2.5   0.02  . 2 . . . A 29 TYR HB3  . 17839 1 
      301 . 1 1 29 29 TYR HD1  H  1   6.964 0.006 . 1 . . . A 29 TYR HD1  . 17839 1 
      302 . 1 1 29 29 TYR HD2  H  1   6.964 0.006 . 1 . . . A 29 TYR HD2  . 17839 1 
      303 . 1 1 29 29 TYR HE1  H  1   6.678 0.024 . 1 . . . A 29 TYR HE1  . 17839 1 
      304 . 1 1 29 29 TYR HE2  H  1   6.678 0.024 . 1 . . . A 29 TYR HE2  . 17839 1 
      305 . 1 1 29 29 TYR C    C 13 177.313 0.5   . 1 . . . A 29 TYR C    . 17839 1 
      306 . 1 1 29 29 TYR CA   C 13  59.358 0.04  . 1 . . . A 29 TYR CA   . 17839 1 
      307 . 1 1 29 29 TYR CB   C 13  38.456 0.026 . 1 . . . A 29 TYR CB   . 17839 1 
      308 . 1 1 29 29 TYR CD1  C 13 126.886 0.5   . 1 . . . A 29 TYR CD1  . 17839 1 
      309 . 1 1 29 29 TYR CD2  C 13 126.886 0.5   . 1 . . . A 29 TYR CD2  . 17839 1 
      310 . 1 1 29 29 TYR CE1  C 13 118.394 0.5   . 1 . . . A 29 TYR CE1  . 17839 1 
      311 . 1 1 29 29 TYR CE2  C 13 118.394 0.5   . 1 . . . A 29 TYR CE2  . 17839 1 
      312 . 1 1 29 29 TYR N    N 15 116.462 0.022 . 1 . . . A 29 TYR N    . 17839 1 
      313 . 1 1 30 30 PHE H    H  1   7.991 0.013 . 1 . . . A 30 PHE H    . 17839 1 
      314 . 1 1 30 30 PHE HA   H  1   4.08  0.017 . 1 . . . A 30 PHE HA   . 17839 1 
      315 . 1 1 30 30 PHE HB2  H  1   3.072 0.028 . 1 . . . A 30 PHE HB2  . 17839 1 
      316 . 1 1 30 30 PHE HB3  H  1   3.072 0.028 . 1 . . . A 30 PHE HB3  . 17839 1 
      317 . 1 1 30 30 PHE HD1  H  1   6.95  0.035 . 1 . . . A 30 PHE HD1  . 17839 1 
      318 . 1 1 30 30 PHE HD2  H  1   6.95  0.035 . 1 . . . A 30 PHE HD2  . 17839 1 
      319 . 1 1 30 30 PHE C    C 13 178.762 0.5   . 1 . . . A 30 PHE C    . 17839 1 
      320 . 1 1 30 30 PHE CA   C 13  58.572 0.031 . 1 . . . A 30 PHE CA   . 17839 1 
      321 . 1 1 30 30 PHE CB   C 13  42.121 0.009 . 1 . . . A 30 PHE CB   . 17839 1 
      322 . 1 1 30 30 PHE N    N 15 119.334 0.042 . 1 . . . A 30 PHE N    . 17839 1 
      323 . 1 1 31 31 LYS H    H  1   7.916 0.026 . 1 . . . A 31 LYS H    . 17839 1 
      324 . 1 1 31 31 LYS HA   H  1   3.904 0.053 . 1 . . . A 31 LYS HA   . 17839 1 
      325 . 1 1 31 31 LYS HB2  H  1   1.623 0.017 . 1 . . . A 31 LYS HB2  . 17839 1 
      326 . 1 1 31 31 LYS HB3  H  1   1.623 0.017 . 1 . . . A 31 LYS HB3  . 17839 1 
      327 . 1 1 31 31 LYS HG2  H  1   1.268 0.017 . 1 . . . A 31 LYS HG2  . 17839 1 
      328 . 1 1 31 31 LYS HG3  H  1   1.268 0.017 . 1 . . . A 31 LYS HG3  . 17839 1 
      329 . 1 1 31 31 LYS HE2  H  1   2.481 0.001 . 1 . . . A 31 LYS HE2  . 17839 1 
      330 . 1 1 31 31 LYS HE3  H  1   2.481 0.001 . 1 . . . A 31 LYS HE3  . 17839 1 
      331 . 1 1 31 31 LYS C    C 13 177.694 0.5   . 1 . . . A 31 LYS C    . 17839 1 
      332 . 1 1 31 31 LYS CA   C 13  58.62  0.054 . 1 . . . A 31 LYS CA   . 17839 1 
      333 . 1 1 31 31 LYS CB   C 13  31.552 0.122 . 1 . . . A 31 LYS CB   . 17839 1 
      334 . 1 1 31 31 LYS CG   C 13  23.669 0.5   . 1 . . . A 31 LYS CG   . 17839 1 
      335 . 1 1 31 31 LYS CE   C 13  41.671 0.5   . 1 . . . A 31 LYS CE   . 17839 1 
      336 . 1 1 31 31 LYS N    N 15 118.612 0.002 . 1 . . . A 31 LYS N    . 17839 1 
      337 . 1 1 32 32 LEU H    H  1   7.316 0.02  . 1 . . . A 32 LEU H    . 17839 1 
      338 . 1 1 32 32 LEU HA   H  1   3.765 0.099 . 1 . . . A 32 LEU HA   . 17839 1 
      339 . 1 1 32 32 LEU HB2  H  1   1.939 0.017 . 2 . . . A 32 LEU HB2  . 17839 1 
      340 . 1 1 32 32 LEU HB3  H  1   1.392 0.046 . 2 . . . A 32 LEU HB3  . 17839 1 
      341 . 1 1 32 32 LEU HG   H  1   1.675 0.017 . 1 . . . A 32 LEU HG   . 17839 1 
      342 . 1 1 32 32 LEU HD11 H  1   0.685 0.029 . 2 . . . A 32 LEU HD1  . 17839 1 
      343 . 1 1 32 32 LEU HD12 H  1   0.685 0.029 . 2 . . . A 32 LEU HD1  . 17839 1 
      344 . 1 1 32 32 LEU HD13 H  1   0.685 0.029 . 2 . . . A 32 LEU HD1  . 17839 1 
      345 . 1 1 32 32 LEU C    C 13 177.021 0.5   . 1 . . . A 32 LEU C    . 17839 1 
      346 . 1 1 32 32 LEU CA   C 13  57.341 0.5   . 1 . . . A 32 LEU CA   . 17839 1 
      347 . 1 1 32 32 LEU CB   C 13  41.417 0.5   . 1 . . . A 32 LEU CB   . 17839 1 
      348 . 1 1 32 32 LEU N    N 15 117.737 0.043 . 1 . . . A 32 LEU N    . 17839 1 
      349 . 1 1 33 33 ILE H    H  1   7.62  0.012 . 1 . . . A 33 ILE H    . 17839 1 
      350 . 1 1 33 33 ILE HA   H  1   3.652 0.08  . 1 . . . A 33 ILE HA   . 17839 1 
      351 . 1 1 33 33 ILE HB   H  1   2.097 0.025 . 1 . . . A 33 ILE HB   . 17839 1 
      352 . 1 1 33 33 ILE HG12 H  1   1.299 0.026 . 1 . . . A 33 ILE HG12 . 17839 1 
      353 . 1 1 33 33 ILE HG13 H  1   1.299 0.026 . 1 . . . A 33 ILE HG13 . 17839 1 
      354 . 1 1 33 33 ILE HD11 H  1   0.658 0.019 . 1 . . . A 33 ILE HD1  . 17839 1 
      355 . 1 1 33 33 ILE HD12 H  1   0.658 0.019 . 1 . . . A 33 ILE HD1  . 17839 1 
      356 . 1 1 33 33 ILE HD13 H  1   0.658 0.019 . 1 . . . A 33 ILE HD1  . 17839 1 
      357 . 1 1 33 33 ILE C    C 13 177.489 0.5   . 1 . . . A 33 ILE C    . 17839 1 
      358 . 1 1 33 33 ILE CA   C 13  61.785 0.5   . 1 . . . A 33 ILE CA   . 17839 1 
      359 . 1 1 33 33 ILE CB   C 13  35.702 0.5   . 1 . . . A 33 ILE CB   . 17839 1 
      360 . 1 1 33 33 ILE N    N 15 119.064 0.5   . 1 . . . A 33 ILE N    . 17839 1 
      361 . 1 1 34 34 ALA H    H  1   7.594 0.014 . 1 . . . A 34 ALA H    . 17839 1 
      362 . 1 1 34 34 ALA HA   H  1   3.78  0.03  . 1 . . . A 34 ALA HA   . 17839 1 
      363 . 1 1 34 34 ALA HB1  H  1   1.223 0.022 . 1 . . . A 34 ALA HB   . 17839 1 
      364 . 1 1 34 34 ALA HB2  H  1   1.223 0.022 . 1 . . . A 34 ALA HB   . 17839 1 
      365 . 1 1 34 34 ALA HB3  H  1   1.223 0.022 . 1 . . . A 34 ALA HB   . 17839 1 
      366 . 1 1 34 34 ALA C    C 13 179.128 0.5   . 1 . . . A 34 ALA C    . 17839 1 
      367 . 1 1 34 34 ALA CA   C 13  54.852 0.037 . 1 . . . A 34 ALA CA   . 17839 1 
      368 . 1 1 34 34 ALA CB   C 13  18.25  0.116 . 1 . . . A 34 ALA CB   . 17839 1 
      369 . 1 1 34 34 ALA N    N 15 119.319 0.006 . 1 . . . A 34 ALA N    . 17839 1 
      370 . 1 1 35 35 ASN H    H  1   7.264 0.017 . 1 . . . A 35 ASN H    . 17839 1 
      371 . 1 1 35 35 ASN HA   H  1   4.493 0.016 . 1 . . . A 35 ASN HA   . 17839 1 
      372 . 1 1 35 35 ASN HB2  H  1   2.658 0.033 . 2 . . . A 35 ASN HB2  . 17839 1 
      373 . 1 1 35 35 ASN HB3  H  1   2.499 0.023 . 2 . . . A 35 ASN HB3  . 17839 1 
      374 . 1 1 35 35 ASN C    C 13 175.265 0.5   . 1 . . . A 35 ASN C    . 17839 1 
      375 . 1 1 35 35 ASN CA   C 13  52.596 0.002 . 1 . . . A 35 ASN CA   . 17839 1 
      376 . 1 1 35 35 ASN CB   C 13  38.907 0.082 . 1 . . . A 35 ASN CB   . 17839 1 
      377 . 1 1 35 35 ASN N    N 15 112.212 0.018 . 1 . . . A 35 ASN N    . 17839 1 
      378 . 1 1 36 36 ALA H    H  1   7.27  0.018 . 1 . . . A 36 ALA H    . 17839 1 
      379 . 1 1 36 36 ALA HA   H  1   4.009 0.026 . 1 . . . A 36 ALA HA   . 17839 1 
      380 . 1 1 36 36 ALA HB1  H  1   1.201 0.017 . 1 . . . A 36 ALA HB   . 17839 1 
      381 . 1 1 36 36 ALA HB2  H  1   1.201 0.017 . 1 . . . A 36 ALA HB   . 17839 1 
      382 . 1 1 36 36 ALA HB3  H  1   1.201 0.017 . 1 . . . A 36 ALA HB   . 17839 1 
      383 . 1 1 36 36 ALA C    C 13 177.826 0.5   . 1 . . . A 36 ALA C    . 17839 1 
      384 . 1 1 36 36 ALA CA   C 13  53.137 0.044 . 1 . . . A 36 ALA CA   . 17839 1 
      385 . 1 1 36 36 ALA CB   C 13  19.517 0.5   . 1 . . . A 36 ALA CB   . 17839 1 
      386 . 1 1 36 36 ALA N    N 15 124.435 0.043 . 1 . . . A 36 ALA N    . 17839 1 
      387 . 1 1 37 37 LYS H    H  1   8.682 0.016 . 1 . . . A 37 LYS H    . 17839 1 
      388 . 1 1 37 37 LYS HA   H  1   4.173 0.045 . 1 . . . A 37 LYS HA   . 17839 1 
      389 . 1 1 37 37 LYS HB2  H  1   1.819 0.023 . 2 . . . A 37 LYS HB2  . 17839 1 
      390 . 1 1 37 37 LYS HB3  H  1   1.556 0.033 . 2 . . . A 37 LYS HB3  . 17839 1 
      391 . 1 1 37 37 LYS HG2  H  1   1.324 0.012 . 1 . . . A 37 LYS HG2  . 17839 1 
      392 . 1 1 37 37 LYS HG3  H  1   1.324 0.012 . 1 . . . A 37 LYS HG3  . 17839 1 
      393 . 1 1 37 37 LYS C    C 13 176.772 0.5   . 1 . . . A 37 LYS C    . 17839 1 
      394 . 1 1 37 37 LYS CA   C 13  56.537 0.024 . 1 . . . A 37 LYS CA   . 17839 1 
      395 . 1 1 37 37 LYS CB   C 13  34.899 0.095 . 1 . . . A 37 LYS CB   . 17839 1 
      396 . 1 1 37 37 LYS CG   C 13  25.088 0.5   . 1 . . . A 37 LYS CG   . 17839 1 
      397 . 1 1 37 37 LYS CD   C 13  28.542 0.5   . 1 . . . A 37 LYS CD   . 17839 1 
      398 . 1 1 37 37 LYS CE   C 13  41.539 0.5   . 1 . . . A 37 LYS CE   . 17839 1 
      399 . 1 1 37 37 LYS N    N 15 116.671 0.024 . 1 . . . A 37 LYS N    . 17839 1 
      400 . 1 1 38 38 THR H    H  1   7.232 0.013 . 1 . . . A 38 THR H    . 17839 1 
      401 . 1 1 38 38 THR HA   H  1   4.541 0.026 . 1 . . . A 38 THR HA   . 17839 1 
      402 . 1 1 38 38 THR HB   H  1   4.392 0.041 . 1 . . . A 38 THR HB   . 17839 1 
      403 . 1 1 38 38 THR HG21 H  1   0.966 0.018 . 1 . . . A 38 THR HG2  . 17839 1 
      404 . 1 1 38 38 THR HG22 H  1   0.966 0.018 . 1 . . . A 38 THR HG2  . 17839 1 
      405 . 1 1 38 38 THR HG23 H  1   0.966 0.018 . 1 . . . A 38 THR HG2  . 17839 1 
      406 . 1 1 38 38 THR C    C 13 173.816 0.5   . 1 . . . A 38 THR C    . 17839 1 
      407 . 1 1 38 38 THR CA   C 13  58.209 0.005 . 1 . . . A 38 THR CA   . 17839 1 
      408 . 1 1 38 38 THR CB   C 13  72.726 0.109 . 1 . . . A 38 THR CB   . 17839 1 
      409 . 1 1 38 38 THR CG2  C 13  21.927 0.5   . 1 . . . A 38 THR CG2  . 17839 1 
      410 . 1 1 38 38 THR N    N 15 106.22  0.5   . 1 . . . A 38 THR N    . 17839 1 
      411 . 1 1 39 39 VAL H    H  1   8.835 0.018 . 1 . . . A 39 VAL H    . 17839 1 
      412 . 1 1 39 39 VAL HA   H  1   2.878 0.037 . 1 . . . A 39 VAL HA   . 17839 1 
      413 . 1 1 39 39 VAL HB   H  1   1.628 0.02  . 1 . . . A 39 VAL HB   . 17839 1 
      414 . 1 1 39 39 VAL HG11 H  1   0.661 0.048 . 2 . . . A 39 VAL HG1  . 17839 1 
      415 . 1 1 39 39 VAL HG12 H  1   0.661 0.048 . 2 . . . A 39 VAL HG1  . 17839 1 
      416 . 1 1 39 39 VAL HG13 H  1   0.661 0.048 . 2 . . . A 39 VAL HG1  . 17839 1 
      417 . 1 1 39 39 VAL C    C 13 176.655 0.5   . 1 . . . A 39 VAL C    . 17839 1 
      418 . 1 1 39 39 VAL CA   C 13  67.118 0.053 . 1 . . . A 39 VAL CA   . 17839 1 
      419 . 1 1 39 39 VAL CB   C 13  31.26  0.256 . 1 . . . A 39 VAL CB   . 17839 1 
      420 . 1 1 39 39 VAL N    N 15 122.896 0.5   . 1 . . . A 39 VAL N    . 17839 1 
      421 . 1 1 40 40 GLU H    H  1   8.735 0.013 . 1 . . . A 40 GLU H    . 17839 1 
      422 . 1 1 40 40 GLU HA   H  1   3.782 0.023 . 1 . . . A 40 GLU HA   . 17839 1 
      423 . 1 1 40 40 GLU HB2  H  1   1.786 0.025 . 1 . . . A 40 GLU HB2  . 17839 1 
      424 . 1 1 40 40 GLU HB3  H  1   1.786 0.025 . 1 . . . A 40 GLU HB3  . 17839 1 
      425 . 1 1 40 40 GLU HG2  H  1   2.117 0.023 . 1 . . . A 40 GLU HG2  . 17839 1 
      426 . 1 1 40 40 GLU HG3  H  1   2.117 0.023 . 1 . . . A 40 GLU HG3  . 17839 1 
      427 . 1 1 40 40 GLU C    C 13 179.362 0.5   . 1 . . . A 40 GLU C    . 17839 1 
      428 . 1 1 40 40 GLU CA   C 13  59.924 0.134 . 1 . . . A 40 GLU CA   . 17839 1 
      429 . 1 1 40 40 GLU CB   C 13  28.256 0.156 . 1 . . . A 40 GLU CB   . 17839 1 
      430 . 1 1 40 40 GLU CG   C 13  36.68  0.5   . 1 . . . A 40 GLU CG   . 17839 1 
      431 . 1 1 40 40 GLU N    N 15 117.945 0.025 . 1 . . . A 40 GLU N    . 17839 1 
      432 . 1 1 41 41 GLY H    H  1   8.019 0.011 . 1 . . . A 41 GLY H    . 17839 1 
      433 . 1 1 41 41 GLY HA2  H  1   3.603 0.023 . 2 . . . A 41 GLY HA2  . 17839 1 
      434 . 1 1 41 41 GLY HA3  H  1   2.457 0.041 . 2 . . . A 41 GLY HA3  . 17839 1 
      435 . 1 1 41 41 GLY C    C 13 176.275 0.5   . 1 . . . A 41 GLY C    . 17839 1 
      436 . 1 1 41 41 GLY CA   C 13  46.305 0.147 . 1 . . . A 41 GLY CA   . 17839 1 
      437 . 1 1 41 41 GLY N    N 15 108.576 0.055 . 1 . . . A 41 GLY N    . 17839 1 
      438 . 1 1 42 42 VAL H    H  1   7.705 0.015 . 1 . . . A 42 VAL H    . 17839 1 
      439 . 1 1 42 42 VAL HA   H  1   3.743 0.016 . 1 . . . A 42 VAL HA   . 17839 1 
      440 . 1 1 42 42 VAL HB   H  1   2.006 0.057 . 1 . . . A 42 VAL HB   . 17839 1 
      441 . 1 1 42 42 VAL HG11 H  1   0.611 0.026 . 2 . . . A 42 VAL HG1  . 17839 1 
      442 . 1 1 42 42 VAL HG12 H  1   0.611 0.026 . 2 . . . A 42 VAL HG1  . 17839 1 
      443 . 1 1 42 42 VAL HG13 H  1   0.611 0.026 . 2 . . . A 42 VAL HG1  . 17839 1 
      444 . 1 1 42 42 VAL HG21 H  1   0.681 0.044 . 2 . . . A 42 VAL HG2  . 17839 1 
      445 . 1 1 42 42 VAL HG22 H  1   0.681 0.044 . 2 . . . A 42 VAL HG2  . 17839 1 
      446 . 1 1 42 42 VAL HG23 H  1   0.681 0.044 . 2 . . . A 42 VAL HG2  . 17839 1 
      447 . 1 1 42 42 VAL C    C 13 177.211 0.5   . 1 . . . A 42 VAL C    . 17839 1 
      448 . 1 1 42 42 VAL CA   C 13  67.317 0.115 . 1 . . . A 42 VAL CA   . 17839 1 
      449 . 1 1 42 42 VAL CB   C 13  30.233 0.002 . 1 . . . A 42 VAL CB   . 17839 1 
      450 . 1 1 42 42 VAL CG1  C 13  23.688 0.5   . 1 . . . A 42 VAL CG1  . 17839 1 
      451 . 1 1 42 42 VAL N    N 15 122.823 0.5   . 1 . . . A 42 VAL N    . 17839 1 
      452 . 1 1 43 43 TRP H    H  1   7.497 0.048 . 1 . . . A 43 TRP H    . 17839 1 
      453 . 1 1 43 43 TRP HA   H  1   4.312 0.032 . 1 . . . A 43 TRP HA   . 17839 1 
      454 . 1 1 43 43 TRP HB2  H  1   3.194 0.025 . 2 . . . A 43 TRP HB2  . 17839 1 
      455 . 1 1 43 43 TRP HB3  H  1   3.09  0.012 . 2 . . . A 43 TRP HB3  . 17839 1 
      456 . 1 1 43 43 TRP HD1  H  1   6.933 0.036 . 1 . . . A 43 TRP HD1  . 17839 1 
      457 . 1 1 43 43 TRP HE1  H  1   9.882 0.004 . 1 . . . A 43 TRP HE1  . 17839 1 
      458 . 1 1 43 43 TRP HE3  H  1   7.276 0.033 . 1 . . . A 43 TRP HE3  . 17839 1 
      459 . 1 1 43 43 TRP HZ2  H  1   7.234 0.002 . 1 . . . A 43 TRP HZ2  . 17839 1 
      460 . 1 1 43 43 TRP HZ3  H  1   6.926 0.004 . 1 . . . A 43 TRP HZ3  . 17839 1 
      461 . 1 1 43 43 TRP HH2  H  1   6.801 0.105 . 1 . . . A 43 TRP HH2  . 17839 1 
      462 . 1 1 43 43 TRP C    C 13 178.879 0.5   . 1 . . . A 43 TRP C    . 17839 1 
      463 . 1 1 43 43 TRP CA   C 13  59.233 0.03  . 1 . . . A 43 TRP CA   . 17839 1 
      464 . 1 1 43 43 TRP CB   C 13  28.803 0.076 . 1 . . . A 43 TRP CB   . 17839 1 
      465 . 1 1 43 43 TRP CD1  C 13 129.535 0.5   . 1 . . . A 43 TRP CD1  . 17839 1 
      466 . 1 1 43 43 TRP CE3  C 13 120.116 0.012 . 1 . . . A 43 TRP CE3  . 17839 1 
      467 . 1 1 43 43 TRP CZ2  C 13 114.529 0.5   . 1 . . . A 43 TRP CZ2  . 17839 1 
      468 . 1 1 43 43 TRP CZ3  C 13 123.992 0.5   . 1 . . . A 43 TRP CZ3  . 17839 1 
      469 . 1 1 43 43 TRP CH2  C 13 121.152 0.5   . 1 . . . A 43 TRP CH2  . 17839 1 
      470 . 1 1 43 43 TRP N    N 15 119.439 0.5   . 1 . . . A 43 TRP N    . 17839 1 
      471 . 1 1 43 43 TRP NE1  N 15 128.274 0.5   . 1 . . . A 43 TRP NE1  . 17839 1 
      472 . 1 1 44 44 THR H    H  1   8.278 0.034 . 1 . . . A 44 THR H    . 17839 1 
      473 . 1 1 44 44 THR HA   H  1   3.877 0.034 . 1 . . . A 44 THR HA   . 17839 1 
      474 . 1 1 44 44 THR HB   H  1   4.099 0.081 . 1 . . . A 44 THR HB   . 17839 1 
      475 . 1 1 44 44 THR HG21 H  1   1.059 0.024 . 1 . . . A 44 THR HG2  . 17839 1 
      476 . 1 1 44 44 THR HG22 H  1   1.059 0.024 . 1 . . . A 44 THR HG2  . 17839 1 
      477 . 1 1 44 44 THR HG23 H  1   1.059 0.024 . 1 . . . A 44 THR HG2  . 17839 1 
      478 . 1 1 44 44 THR C    C 13 177.299 0.5   . 1 . . . A 44 THR C    . 17839 1 
      479 . 1 1 44 44 THR CA   C 13  66.178 0.002 . 1 . . . A 44 THR CA   . 17839 1 
      480 . 1 1 44 44 THR CB   C 13  68.938 0.106 . 1 . . . A 44 THR CB   . 17839 1 
      481 . 1 1 44 44 THR CG2  C 13  22.161 0.5   . 1 . . . A 44 THR CG2  . 17839 1 
      482 . 1 1 44 44 THR N    N 15 115.13  0.02  . 1 . . . A 44 THR N    . 17839 1 
      483 . 1 1 45 45 LEU H    H  1   7.835 0.016 . 1 . . . A 45 LEU H    . 17839 1 
      484 . 1 1 45 45 LEU HA   H  1   3.939 0.038 . 1 . . . A 45 LEU HA   . 17839 1 
      485 . 1 1 45 45 LEU HB2  H  1   1.671 0.049 . 1 . . . A 45 LEU HB2  . 17839 1 
      486 . 1 1 45 45 LEU HB3  H  1   1.671 0.049 . 1 . . . A 45 LEU HB3  . 17839 1 
      487 . 1 1 45 45 LEU HG   H  1   1.098 0.016 . 1 . . . A 45 LEU HG   . 17839 1 
      488 . 1 1 45 45 LEU HD11 H  1   0.642 0.009 . 2 . . . A 45 LEU HD1  . 17839 1 
      489 . 1 1 45 45 LEU HD12 H  1   0.642 0.009 . 2 . . . A 45 LEU HD1  . 17839 1 
      490 . 1 1 45 45 LEU HD13 H  1   0.642 0.009 . 2 . . . A 45 LEU HD1  . 17839 1 
      491 . 1 1 45 45 LEU C    C 13 178.235 0.5   . 1 . . . A 45 LEU C    . 17839 1 
      492 . 1 1 45 45 LEU CA   C 13  57.647 0.036 . 1 . . . A 45 LEU CA   . 17839 1 
      493 . 1 1 45 45 LEU CB   C 13  42.308 0.037 . 1 . . . A 45 LEU CB   . 17839 1 
      494 . 1 1 45 45 LEU CG   C 13  24.678 0.5   . 1 . . . A 45 LEU CG   . 17839 1 
      495 . 1 1 45 45 LEU N    N 15 123.159 0.018 . 1 . . . A 45 LEU N    . 17839 1 
      496 . 1 1 46 46 LYS H    H  1   8.521 0.025 . 1 . . . A 46 LYS H    . 17839 1 
      497 . 1 1 46 46 LYS HA   H  1   3.52  0.025 . 1 . . . A 46 LYS HA   . 17839 1 
      498 . 1 1 46 46 LYS HB2  H  1   1.811 0.082 . 1 . . . A 46 LYS HB2  . 17839 1 
      499 . 1 1 46 46 LYS HB3  H  1   1.811 0.082 . 1 . . . A 46 LYS HB3  . 17839 1 
      500 . 1 1 46 46 LYS HG2  H  1   1.222 0.018 . 1 . . . A 46 LYS HG2  . 17839 1 
      501 . 1 1 46 46 LYS HG3  H  1   1.222 0.018 . 1 . . . A 46 LYS HG3  . 17839 1 
      502 . 1 1 46 46 LYS C    C 13 177.518 0.5   . 1 . . . A 46 LYS C    . 17839 1 
      503 . 1 1 46 46 LYS CA   C 13  60.558 0.002 . 1 . . . A 46 LYS CA   . 17839 1 
      504 . 1 1 46 46 LYS CB   C 13  30.225 0.066 . 1 . . . A 46 LYS CB   . 17839 1 
      505 . 1 1 46 46 LYS N    N 15 119.348 0.022 . 1 . . . A 46 LYS N    . 17839 1 
      506 . 1 1 47 47 ASP H    H  1   7.45  0.012 . 1 . . . A 47 ASP H    . 17839 1 
      507 . 1 1 47 47 ASP HA   H  1   3.736 0.089 . 1 . . . A 47 ASP HA   . 17839 1 
      508 . 1 1 47 47 ASP HB2  H  1   2.484 0.029 . 1 . . . A 47 ASP HB2  . 17839 1 
      509 . 1 1 47 47 ASP HB3  H  1   2.484 0.029 . 1 . . . A 47 ASP HB3  . 17839 1 
      510 . 1 1 47 47 ASP C    C 13 178.689 0.5   . 1 . . . A 47 ASP C    . 17839 1 
      511 . 1 1 47 47 ASP CA   C 13  57.139 0.024 . 1 . . . A 47 ASP CA   . 17839 1 
      512 . 1 1 47 47 ASP CB   C 13  39.796 0.157 . 1 . . . A 47 ASP CB   . 17839 1 
      513 . 1 1 47 47 ASP N    N 15 117.39  0.5   . 1 . . . A 47 ASP N    . 17839 1 
      514 . 1 1 48 48 GLU H    H  1   7.732 0.068 . 1 . . . A 48 GLU H    . 17839 1 
      515 . 1 1 48 48 GLU HA   H  1   3.76  0.013 . 1 . . . A 48 GLU HA   . 17839 1 
      516 . 1 1 48 48 GLU HB2  H  1   1.855 0.025 . 1 . . . A 48 GLU HB2  . 17839 1 
      517 . 1 1 48 48 GLU HB3  H  1   1.855 0.025 . 1 . . . A 48 GLU HB3  . 17839 1 
      518 . 1 1 48 48 GLU C    C 13 179.201 0.5   . 1 . . . A 48 GLU C    . 17839 1 
      519 . 1 1 48 48 GLU CA   C 13  59.072 0.021 . 1 . . . A 48 GLU CA   . 17839 1 
      520 . 1 1 48 48 GLU CB   C 13  29.661 0.044 . 1 . . . A 48 GLU CB   . 17839 1 
      521 . 1 1 48 48 GLU CG   C 13  35.685 0.5   . 1 . . . A 48 GLU CG   . 17839 1 
      522 . 1 1 48 48 GLU N    N 15 121.902 0.018 . 1 . . . A 48 GLU N    . 17839 1 
      523 . 1 1 49 49 ILE H    H  1   8.551 0.01  . 1 . . . A 49 ILE H    . 17839 1 
      524 . 1 1 49 49 ILE HA   H  1   3.58  0.04  . 1 . . . A 49 ILE HA   . 17839 1 
      525 . 1 1 49 49 ILE HB   H  1   1.47  0.049 . 1 . . . A 49 ILE HB   . 17839 1 
      526 . 1 1 49 49 ILE HD11 H  1   0.555 0.043 . 1 . . . A 49 ILE HD1  . 17839 1 
      527 . 1 1 49 49 ILE HD12 H  1   0.555 0.043 . 1 . . . A 49 ILE HD1  . 17839 1 
      528 . 1 1 49 49 ILE HD13 H  1   0.555 0.043 . 1 . . . A 49 ILE HD1  . 17839 1 
      529 . 1 1 49 49 ILE C    C 13 178.704 0.5   . 1 . . . A 49 ILE C    . 17839 1 
      530 . 1 1 49 49 ILE CA   C 13  64.001 0.153 . 1 . . . A 49 ILE CA   . 17839 1 
      531 . 1 1 49 49 ILE CB   C 13  37.963 0.5   . 1 . . . A 49 ILE CB   . 17839 1 
      532 . 1 1 49 49 ILE N    N 15 120.605 0.01  . 1 . . . A 49 ILE N    . 17839 1 
      533 . 1 1 50 50 LYS H    H  1   7.567 0.024 . 1 . . . A 50 LYS H    . 17839 1 
      534 . 1 1 50 50 LYS HA   H  1   3.709 0.06  . 1 . . . A 50 LYS HA   . 17839 1 
      535 . 1 1 50 50 LYS HB2  H  1   1.65  0.055 . 1 . . . A 50 LYS HB2  . 17839 1 
      536 . 1 1 50 50 LYS HB3  H  1   1.65  0.055 . 1 . . . A 50 LYS HB3  . 17839 1 
      537 . 1 1 50 50 LYS HE2  H  1   2.767 0.05  . 1 . . . A 50 LYS HE2  . 17839 1 
      538 . 1 1 50 50 LYS HE3  H  1   2.767 0.05  . 1 . . . A 50 LYS HE3  . 17839 1 
      539 . 1 1 50 50 LYS C    C 13 177.753 0.5   . 1 . . . A 50 LYS C    . 17839 1 
      540 . 1 1 50 50 LYS CA   C 13  59.664 0.186 . 1 . . . A 50 LYS CA   . 17839 1 
      541 . 1 1 50 50 LYS CB   C 13  32.153 0.137 . 1 . . . A 50 LYS CB   . 17839 1 
      542 . 1 1 50 50 LYS CG   C 13  25.44  0.5   . 1 . . . A 50 LYS CG   . 17839 1 
      543 . 1 1 50 50 LYS N    N 15 119.061 0.178 . 1 . . . A 50 LYS N    . 17839 1 
      544 . 1 1 51 51 THR H    H  1   7.426 0.003 . 1 . . . A 51 THR H    . 17839 1 
      545 . 1 1 51 51 THR HA   H  1   4.148 0.003 . 1 . . . A 51 THR HA   . 17839 1 
      546 . 1 1 51 51 THR HB   H  1   3.853 0.055 . 1 . . . A 51 THR HB   . 17839 1 
      547 . 1 1 51 51 THR HG21 H  1   0.963 0.029 . 1 . . . A 51 THR HG2  . 17839 1 
      548 . 1 1 51 51 THR HG22 H  1   0.963 0.029 . 1 . . . A 51 THR HG2  . 17839 1 
      549 . 1 1 51 51 THR HG23 H  1   0.963 0.029 . 1 . . . A 51 THR HG2  . 17839 1 
      550 . 1 1 51 51 THR C    C 13 175.44  0.5   . 1 . . . A 51 THR C    . 17839 1 
      551 . 1 1 51 51 THR CA   C 13  63.347 0.134 . 1 . . . A 51 THR CA   . 17839 1 
      552 . 1 1 51 51 THR CB   C 13  69.707 0.23  . 1 . . . A 51 THR CB   . 17839 1 
      553 . 1 1 51 51 THR N    N 15 109.727 0.046 . 1 . . . A 51 THR N    . 17839 1 
      554 . 1 1 52 52 PHE H    H  1   7.446 0.018 . 1 . . . A 52 PHE H    . 17839 1 
      555 . 1 1 52 52 PHE HA   H  1   4.508 0.043 . 1 . . . A 52 PHE HA   . 17839 1 
      556 . 1 1 52 52 PHE HB2  H  1   2.965 0.021 . 2 . . . A 52 PHE HB2  . 17839 1 
      557 . 1 1 52 52 PHE HB3  H  1   2.869 0.027 . 2 . . . A 52 PHE HB3  . 17839 1 
      558 . 1 1 52 52 PHE HD1  H  1   6.639 0.025 . 1 . . . A 52 PHE HD1  . 17839 1 
      559 . 1 1 52 52 PHE HD2  H  1   6.639 0.025 . 1 . . . A 52 PHE HD2  . 17839 1 
      560 . 1 1 52 52 PHE HE1  H  1   6.958 0.044 . 1 . . . A 52 PHE HE1  . 17839 1 
      561 . 1 1 52 52 PHE HE2  H  1   6.958 0.044 . 1 . . . A 52 PHE HE2  . 17839 1 
      562 . 1 1 52 52 PHE C    C 13 176.816 0.5   . 1 . . . A 52 PHE C    . 17839 1 
      563 . 1 1 52 52 PHE CA   C 13  56.96  0.034 . 1 . . . A 52 PHE CA   . 17839 1 
      564 . 1 1 52 52 PHE CB   C 13  37.524 0.063 . 1 . . . A 52 PHE CB   . 17839 1 
      565 . 1 1 52 52 PHE CD1  C 13 130.709 0.5   . 1 . . . A 52 PHE CD1  . 17839 1 
      566 . 1 1 52 52 PHE CD2  C 13 130.709 0.5   . 1 . . . A 52 PHE CD2  . 17839 1 
      567 . 1 1 52 52 PHE CE1  C 13 132.594 0.5   . 1 . . . A 52 PHE CE1  . 17839 1 
      568 . 1 1 52 52 PHE CE2  C 13 132.594 0.5   . 1 . . . A 52 PHE CE2  . 17839 1 
      569 . 1 1 52 52 PHE N    N 15 120.966 0.038 . 1 . . . A 52 PHE N    . 17839 1 
      570 . 1 1 53 53 THR H    H  1   7.953 0.029 . 1 . . . A 53 THR H    . 17839 1 
      571 . 1 1 53 53 THR HA   H  1   4.223 0.019 . 1 . . . A 53 THR HA   . 17839 1 
      572 . 1 1 53 53 THR HB   H  1   4.089 0.009 . 1 . . . A 53 THR HB   . 17839 1 
      573 . 1 1 53 53 THR HG21 H  1   1.007 0.05  . 1 . . . A 53 THR HG2  . 17839 1 
      574 . 1 1 53 53 THR HG22 H  1   1.007 0.05  . 1 . . . A 53 THR HG2  . 17839 1 
      575 . 1 1 53 53 THR HG23 H  1   1.007 0.05  . 1 . . . A 53 THR HG2  . 17839 1 
      576 . 1 1 53 53 THR C    C 13 180.987 0.5   . 1 . . . A 53 THR C    . 17839 1 
      577 . 1 1 53 53 THR CA   C 13  58.214 0.5   . 1 . . . A 53 THR CA   . 17839 1 
      578 . 1 1 53 53 THR CB   C 13  70.157 0.5   . 1 . . . A 53 THR CB   . 17839 1 
      579 . 1 1 53 53 THR N    N 15 114.357 0.017 . 1 . . . A 53 THR N    . 17839 1 
      580 . 1 1 54 54 VAL H    H  1   8.045 0.02  . 1 . . . A 54 VAL H    . 17839 1 
      581 . 1 1 54 54 VAL HA   H  1   4.102 0.037 . 1 . . . A 54 VAL HA   . 17839 1 
      582 . 1 1 54 54 VAL HB   H  1   1.998 0.003 . 1 . . . A 54 VAL HB   . 17839 1 
      583 . 1 1 54 54 VAL HG11 H  1   0.752 0.025 . 2 . . . A 54 VAL HG1  . 17839 1 
      584 . 1 1 54 54 VAL HG12 H  1   0.752 0.025 . 2 . . . A 54 VAL HG1  . 17839 1 
      585 . 1 1 54 54 VAL HG13 H  1   0.752 0.025 . 2 . . . A 54 VAL HG1  . 17839 1 
      586 . 1 1 54 54 VAL C    C 13 179.509 0.5   . 1 . . . A 54 VAL C    . 17839 1 
      587 . 1 1 54 54 VAL CA   C 13  62.553 0.01  . 1 . . . A 54 VAL CA   . 17839 1 
      588 . 1 1 54 54 VAL CB   C 13  32.722 0.048 . 1 . . . A 54 VAL CB   . 17839 1 
      589 . 1 1 54 54 VAL CG1  C 13  20.815 0.5   . 1 . . . A 54 VAL CG1  . 17839 1 
      590 . 1 1 54 54 VAL N    N 15 122.097 0.5   . 1 . . . A 54 VAL N    . 17839 1 
      591 . 1 1 55 55 THR H    H  1   8.209 0.007 . 1 . . . A 55 THR H    . 17839 1 
      592 . 1 1 55 55 THR HA   H  1   4.235 0.05  . 1 . . . A 55 THR HA   . 17839 1 
      593 . 1 1 55 55 THR HB   H  1   4.015 0.05  . 1 . . . A 55 THR HB   . 17839 1 
      594 . 1 1 55 55 THR HG21 H  1   0.967 0.05  . 1 . . . A 55 THR HG2  . 17839 1 
      595 . 1 1 55 55 THR HG22 H  1   0.967 0.05  . 1 . . . A 55 THR HG2  . 17839 1 
      596 . 1 1 55 55 THR HG23 H  1   0.967 0.05  . 1 . . . A 55 THR HG2  . 17839 1 
      597 . 1 1 55 55 THR CA   C 13  61.732 0.5   . 1 . . . A 55 THR CA   . 17839 1 
      598 . 1 1 55 55 THR CB   C 13  69.869 0.5   . 1 . . . A 55 THR CB   . 17839 1 
      599 . 1 1 55 55 THR N    N 15 118.59  0.004 . 1 . . . A 55 THR N    . 17839 1 
      600 . 1 1 56 56 GLU H    H  1   7.993 0.002 . 1 . . . A 56 GLU H    . 17839 1 
      601 . 1 1 56 56 GLU CA   C 13  57.985 0.5   . 1 . . . A 56 GLU CA   . 17839 1 
      602 . 1 1 56 56 GLU CB   C 13  30.469 0.5   . 1 . . . A 56 GLU CB   . 17839 1 
      603 . 1 1 56 56 GLU N    N 15 128.656 0.056 . 1 . . . A 56 GLU N    . 17839 1 

   stop_

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