data_17810

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

save_entry_information
   _Entry.Sf_category                    entry_information
   _Entry.Sf_framecode                   entry_information
   _Entry.ID                             17810
   _Entry.Title                         
;
Atomic Resolution Protein Structures using NMR Chemical Shift Tensors
;
   _Entry.Type                           macromolecule
   _Entry.Version_type                   original
   _Entry.Submission_date                2011-07-26
   _Entry.Accession_date                 2011-07-26
   _Entry.Last_release_date              2011-12-02
   _Entry.Original_release_date          2011-12-02
   _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    SOLID-STATE
   _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 Benjamin Wylie     . J. . 17810 
      2 Lindsay  Sperling  . J. . 17810 
      3 Andrew   Nieuwkoop . J. . 17810 
      4 William  Franks    . T. . 17810 
      5 Eric     Oldfield  . .  . 17810 
      6 Chad     Rienstra  . M. . 17810 

   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' . 17810 

   stop_

   loop_
      _Struct_keywords.Keywords
      _Struct_keywords.Text
      _Struct_keywords.Entry_ID

      'Chemical Shift Anisotropy'                                . 17810 
      'Chemical Shift Tensors'                                   . 17810 
       GB1                                                       . 17810 
      'IMMUNOGLOBULIN BINDING DOMAIN OF STREPTOCOCCAL PROTEIN G' . 17810 
      'Solid-state NMR'                                          . 17810 
       TEDOR                                                     . 17810 
      'Vector Angles'                                            . 17810 

   stop_

   loop_
      _Data_set.Type
      _Data_set.Count
      _Data_set.Entry_ID

      assigned_chemical_shifts 1 17810 

   stop_

   loop_
      _Datum.Type
      _Datum.Count
      _Datum.Entry_ID

      '13C chemical shifts' 274 17810 
      '15N chemical shifts'  68 17810 

   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 . . 2011-12-02 2011-07-26 original author . 17810 

   stop_

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

      PDB 1GB1  .                           17810 
      PDB 1PGA  .                           17810 
      PDB 1PGB  .                           17810 
      PDB 2GB1  .                           17810 
      PDB 2GI9  .                           17810 
      PDB 2JSV  .                           17810 
      PDB 2JU6  .                           17810 
      PDB 2KOP  .                           17810 
      PDB 2KQ4  .                           17810 
      PDB 2KWD  .                           17810 
      PDB 2LGI 'BMRB Entry Tracking System' 17810 
      PDB 2PLP  .                           17810 
      PDB 2QMT  .                           17810 

   stop_

save_


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

save_entry_citation
   _Citation.Sf_category                  citations
   _Citation.Sf_framecode                 entry_citation
   _Citation.Entry_ID                     17810
   _Citation.ID                           1
   _Citation.Class                       'entry citation'
   _Citation.CAS_abstract_code            .
   _Citation.MEDLINE_UI_code              .
   _Citation.DOI                          .
   _Citation.PubMed_ID                    21969532
   _Citation.Full_citation                .
   _Citation.Title                       'Ultrahigh resolution protein structures using NMR chemical shift tensors'
   _Citation.Status                       published
   _Citation.Type                         journal
   _Citation.Journal_abbrev              'Proc. Natl. Acad. Sci. U.S.A.'
   _Citation.Journal_name_full            .
   _Citation.Journal_volume               108
   _Citation.Journal_issue                41
   _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                   16974
   _Citation.Page_last                    16979
   _Citation.Year                         2011
   _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 Benjamin Wylie     . J.    . 17810 1 
      2 Lindsay  Sperling  . J.    . 17810 1 
      3 Andrew   Nieuwkoop . J.    . 17810 1 
      4 W.       Franks    . Trent . 17810 1 
      5 Eric     Oldfield  . .     . 17810 1 
      6 Chad     Rienstra  . M.    . 17810 1 

   stop_

save_


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

save_assembly
   _Assembly.Sf_category                       assembly
   _Assembly.Sf_framecode                      assembly
   _Assembly.Entry_ID                          17810
   _Assembly.ID                                1
   _Assembly.Name                             'Ultra-high resolution protein structures using NMR chemical shift tensors'
   _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 entity 1 $entity A . yes native no no . . . 17810 1 

   stop_

save_


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

save_entity
   _Entity.Sf_category                       entity
   _Entity.Sf_framecode                      entity
   _Entity.Entry_ID                          17810
   _Entity.ID                                1
   _Entity.BMRB_code                         .
   _Entity.Name                              entity
   _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      
;
MQYKLILNGKTLKGETTTEA
VDAATAEKVFKQYANDNGVD
GEWTYDDATKTFTVTE
;
   _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                    6228.870
   _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    15156 .  GB1                                                                                                                              . . . . . 100.00  56 100.00 100.00 3.57e-30 . . . . 17810 1 
       2 no BMRB    15380 .  GB1                                                                                                                              . . . . . 100.00  56 100.00 100.00 3.57e-30 . . . . 17810 1 
       3 no BMRB    16444 .  SC35                                                                                                                             . . . . . 100.00 158 100.00 100.00 2.62e-30 . . . . 17810 1 
       4 no BMRB    16627 .  Protein_GB1_(2Q6I)                                                                                                               . . . . . 100.00  56 100.00 100.00 3.57e-30 . . . . 17810 1 
       5 no BMRB    16755 .  N40                                                                                                                              . . . . .  67.86  40 100.00 100.00 2.37e-16 . . . . 17810 1 
       6 no BMRB    16873 .  GB1                                                                                                                              . . . . . 100.00  56 100.00 100.00 3.57e-30 . . . . 17810 1 
       7 no BMRB    16882 . "Ubiquitin-Binding Motif"                                                                                                         . . . . . 100.00 108 100.00 100.00 2.69e-30 . . . . 17810 1 
       8 no BMRB    16958 .  ZCCHC9                                                                                                                           . . . . . 100.00 164 100.00 100.00 1.84e-30 . . . . 17810 1 
       9 no BMRB    18397 .  GB1                                                                                                                              . . . . . 100.00  56 100.00 100.00 3.57e-30 . . . . 17810 1 
      10 no BMRB    19394 .  GB1-UBM1                                                                                                                         . . . . . 100.00 106 100.00 100.00 1.30e-30 . . . . 17810 1 
      11 no BMRB    26630 .  Protein_G_Domain_Beta-1_Wild_Type                                                                                                . . . . . 100.00  64  98.21  98.21 1.28e-29 . . . . 17810 1 
      12 no PDB  1GB1      . "A Novel, Highly Stable Fold Of The Immunoglobulin Binding Domain Of Streptococcal Protein G"                                     . . . . . 100.00  56  98.21  98.21 4.28e-29 . . . . 17810 1 
      13 no PDB  1IBX      . "Nmr Structure Of Dff40 And Dff45 N-Terminal Domain Complex"                                                                      . . . . . 100.00 145 100.00 100.00 4.67e-30 . . . . 17810 1 
      14 no PDB  1PGA      . "Two Crystal Structures Of The B1 Immunoglobulin-Binding Domain Of Streptococcal Protein G And Comparison With Nmr"               . . . . . 100.00  56  98.21  98.21 4.28e-29 . . . . 17810 1 
      15 no PDB  1PGB      . "Two Crystal Structures Of The B1 Immunoglobulin-Binding Domain Of Streptoccocal Protein G And Comparison With Nmr"               . . . . . 100.00  56  98.21  98.21 4.28e-29 . . . . 17810 1 
      16 no PDB  1PN5      . "Nmr Structure Of The Nalp1 Pyrin Domain (Pyd)"                                                                                   . . . . . 100.00 159 100.00 100.00 3.09e-30 . . . . 17810 1 
      17 no PDB  2CWB      . "Solution Structure Of The Ubiquitin-Associated Domain Of Human Bmsc-Ubp And Its Complex With Ubiquitin"                          . . . . .  98.21 108  98.18  98.18 1.53e-28 . . . . 17810 1 
      18 no PDB  2DEN      . "Solution Structure Of The Ubiquitin-Associated Domain Of Human Bmsc-Ubp And Its Complex With Ubiquitin"                          . . . . .  98.21 108  98.18  98.18 1.53e-28 . . . . 17810 1 
      19 no PDB  2GB1      . "A Novel, Highly Stable Fold Of The Immunoglobulin Binding Domain Of Streptococcal Protein G"                                     . . . . . 100.00  56  98.21  98.21 4.28e-29 . . . . 17810 1 
      20 no PDB  2GI9      . "Backbone Conformational Constraints In A Microcrystalline U- 15n-Labeled Protein By 3d Dipolar-Shift Solid-State Nmr Spectrosco" . . . . . 100.00  56 100.00 100.00 3.57e-30 . . . . 17810 1 
      21 no PDB  2I2Y      . "Solution Structure Of The Rrm Of Srp20 Bound To The Rna Cauc"                                                                    . . . . . 100.00 150 100.00 100.00 5.99e-30 . . . . 17810 1 
      22 no PDB  2I38      . "Solution Structure Of The Rrm Of Srp20"                                                                                          . . . . . 100.00 150 100.00 100.00 6.32e-30 . . . . 17810 1 
      23 no PDB  2JSV      . "Dipole Tensor-Based Refinement For Atomic-Resolution Structure Determination Of A Nanocrystalline Protein By Solid-State Nmr Sp" . . . . . 100.00  56 100.00 100.00 3.57e-30 . . . . 17810 1 
      24 no PDB  2JU6      . "Solid-State Protein Structure Determination With Proton- Detected Triple Resonance 3d Magic-Angle Spinning Nmr Spectroscopy"     . . . . . 100.00  56 100.00 100.00 3.57e-30 . . . . 17810 1 
      25 no PDB  2K0P      . "Determination Of A Protein Structure In The Solid State From Nmr Chemical Shifts"                                                . . . . . 100.00  56 100.00 100.00 3.57e-30 . . . . 17810 1 
      26 no PDB  2KBT      . "Attachment Of An Nmr-Invisible Solubility Enhancement Tag (Inset) Using A Sortase-Mediated Protein Ligation Method"              . . . . . 100.00 142  98.21  98.21 1.34e-28 . . . . 17810 1 
      27 no PDB  2KHU      . "Solution Structure Of The Ubiquitin-Binding Motif Of Human Polymerase Iota"                                                      . . . . . 100.00 108 100.00 100.00 2.69e-30 . . . . 17810 1 
      28 no PDB  2KHW      . "Solution Structure Of The Human Polymerase Iota Ubm2- Ubiquitin Complex"                                                         . . . . . 100.00 108 100.00 100.00 2.69e-30 . . . . 17810 1 
      29 no PDB  2KLK      . "Solution Structure Of Gb1 A34f Mutant With Rdc And Saxs"                                                                         . . . . . 100.00  56  98.21  98.21 4.14e-29 . . . . 17810 1 
      30 no PDB  2KN4      . "The Structure Of The Rrm Domain Of Sc35"                                                                                         . . . . . 100.00 158 100.00 100.00 2.62e-30 . . . . 17810 1 
      31 no PDB  2KQ4      . "Atomic Resolution Protein Structure Determination By Three- Dimensional Transferred Echo Double Resonance Solid-State Nuclear M" . . . . . 100.00  56 100.00 100.00 3.57e-30 . . . . 17810 1 
      32 no PDB  2KWD      . "Supramolecular Protein Structure Determination By Site-Speci Range Intermolecular Solid State Nmr Spectroscopy"                  . . . . . 100.00  56 100.00 100.00 3.57e-30 . . . . 17810 1 
      33 no PDB  2LGI      . "Atomic Resolution Protein Structures Using Nmr Chemical Shift Tensors"                                                           . . . . . 100.00  56 100.00 100.00 3.57e-30 . . . . 17810 1 
      34 no PDB  2MBB      . "Solution Structure Of The Human Polymerase Iota Ubm1-ubiquitin Complex"                                                          . . . . . 100.00 106 100.00 100.00 1.30e-30 . . . . 17810 1 
      35 no PDB  2PLP      . "Ultra High Resolution Backbone Conformation Of Protein Gb1 From Residual Dipolar Couplings Alone"                                . . . . .  94.64  54 100.00 100.00 1.58e-27 . . . . 17810 1 
      36 no PDB  2QMT      . "Crystal Polymorphism Of Protein Gb1 Examined By Solid-State Nmr And X-Ray Diffraction"                                           . . . . . 100.00  56 100.00 100.00 3.57e-30 . . . . 17810 1 
      37 no PDB  2RMM      . "Solution Structure Of Gb1 A34f Mutant"                                                                                           . . . . . 100.00  56  98.21  98.21 4.14e-29 . . . . 17810 1 
      38 no PDB  3GB1      . "Structures Of B1 Domain Of Streptococcal Protein G"                                                                              . . . . . 100.00  56  98.21  98.21 4.28e-29 . . . . 17810 1 
      39 no PDB  3MP9      . "Structure Of Streptococcal Protein G B1 Domain At Ph 3.0"                                                                        . . . . .  96.43  64 100.00 100.00 7.39e-29 . . . . 17810 1 
      40 no PDB  3UI3      . "Structural And Biochemical Characterization Of Hp0315 From Helicobacter Pylori As A Vapd Protein With An Endoribonuclease Activ" . . . . .  98.21 160 100.00 100.00 1.17e-28 . . . . 17810 1 
      41 no PDB  4Q0C      . "3.1 A Resolution Crystal Structure Of The B. Pertussis Bvgs Periplasmic Domain"                                                  . . . . . 100.00 584  98.21  98.21 1.62e-27 . . . . 17810 1 
      42 no EMBL CAA37410  . "Protein G' [Streptococcus sp. 'group G']"                                                                                        . . . . .  80.36 185  97.78 100.00 8.64e-20 . . . . 17810 1 
      43 no GB   AAY41168  . "protein G/SspDnaE fusion protein [Expression vector pJJDuet30]"                                                                  . . . . . 100.00 201  98.21 100.00 2.83e-29 . . . . 17810 1 

   stop_

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

       1 . MET . 17810 1 
       2 . GLN . 17810 1 
       3 . TYR . 17810 1 
       4 . LYS . 17810 1 
       5 . LEU . 17810 1 
       6 . ILE . 17810 1 
       7 . LEU . 17810 1 
       8 . ASN . 17810 1 
       9 . GLY . 17810 1 
      10 . LYS . 17810 1 
      11 . THR . 17810 1 
      12 . LEU . 17810 1 
      13 . LYS . 17810 1 
      14 . GLY . 17810 1 
      15 . GLU . 17810 1 
      16 . THR . 17810 1 
      17 . THR . 17810 1 
      18 . THR . 17810 1 
      19 . GLU . 17810 1 
      20 . ALA . 17810 1 
      21 . VAL . 17810 1 
      22 . ASP . 17810 1 
      23 . ALA . 17810 1 
      24 . ALA . 17810 1 
      25 . THR . 17810 1 
      26 . ALA . 17810 1 
      27 . GLU . 17810 1 
      28 . LYS . 17810 1 
      29 . VAL . 17810 1 
      30 . PHE . 17810 1 
      31 . LYS . 17810 1 
      32 . GLN . 17810 1 
      33 . TYR . 17810 1 
      34 . ALA . 17810 1 
      35 . ASN . 17810 1 
      36 . ASP . 17810 1 
      37 . ASN . 17810 1 
      38 . GLY . 17810 1 
      39 . VAL . 17810 1 
      40 . ASP . 17810 1 
      41 . GLY . 17810 1 
      42 . GLU . 17810 1 
      43 . TRP . 17810 1 
      44 . THR . 17810 1 
      45 . TYR . 17810 1 
      46 . ASP . 17810 1 
      47 . ASP . 17810 1 
      48 . ALA . 17810 1 
      49 . THR . 17810 1 
      50 . LYS . 17810 1 
      51 . THR . 17810 1 
      52 . PHE . 17810 1 
      53 . THR . 17810 1 
      54 . VAL . 17810 1 
      55 . THR . 17810 1 
      56 . GLU . 17810 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 17810 1 
      . GLN  2  2 17810 1 
      . TYR  3  3 17810 1 
      . LYS  4  4 17810 1 
      . LEU  5  5 17810 1 
      . ILE  6  6 17810 1 
      . LEU  7  7 17810 1 
      . ASN  8  8 17810 1 
      . GLY  9  9 17810 1 
      . LYS 10 10 17810 1 
      . THR 11 11 17810 1 
      . LEU 12 12 17810 1 
      . LYS 13 13 17810 1 
      . GLY 14 14 17810 1 
      . GLU 15 15 17810 1 
      . THR 16 16 17810 1 
      . THR 17 17 17810 1 
      . THR 18 18 17810 1 
      . GLU 19 19 17810 1 
      . ALA 20 20 17810 1 
      . VAL 21 21 17810 1 
      . ASP 22 22 17810 1 
      . ALA 23 23 17810 1 
      . ALA 24 24 17810 1 
      . THR 25 25 17810 1 
      . ALA 26 26 17810 1 
      . GLU 27 27 17810 1 
      . LYS 28 28 17810 1 
      . VAL 29 29 17810 1 
      . PHE 30 30 17810 1 
      . LYS 31 31 17810 1 
      . GLN 32 32 17810 1 
      . TYR 33 33 17810 1 
      . ALA 34 34 17810 1 
      . ASN 35 35 17810 1 
      . ASP 36 36 17810 1 
      . ASN 37 37 17810 1 
      . GLY 38 38 17810 1 
      . VAL 39 39 17810 1 
      . ASP 40 40 17810 1 
      . GLY 41 41 17810 1 
      . GLU 42 42 17810 1 
      . TRP 43 43 17810 1 
      . THR 44 44 17810 1 
      . TYR 45 45 17810 1 
      . ASP 46 46 17810 1 
      . ASP 47 47 17810 1 
      . ALA 48 48 17810 1 
      . THR 49 49 17810 1 
      . LYS 50 50 17810 1 
      . THR 51 51 17810 1 
      . PHE 52 52 17810 1 
      . THR 53 53 17810 1 
      . VAL 54 54 17810 1 
      . THR 55 55 17810 1 
      . GLU 56 56 17810 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       17810
   _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 $entity . 1320 organism . 'Streptococcus sp. group g' firmicutes . . Bacteria . Streptococcus "Streptococcus sp. 'group G'" . . . . . . . . . . . . . . . . spg . . . . 17810 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       17810
   _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . Pet. . . . . . . 17810 1 

   stop_

save_


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

save_sample_1
   _Sample.Sf_category                      sample
   _Sample.Sf_framecode                     sample_1
   _Sample.Entry_ID                         17810
   _Sample.ID                               1
   _Sample.Type                             solid
   _Sample.Sub_type                         .
   _Sample.Details                         '20 mg [U-2-13C-glycerol; U-100% 15N] GB1, (4R)-2-Metylpentane-2,4-Diol (50% v/v), Isopropyl alcohol (25% v/v), 25 mg/mL GB1 in 50 mM sodium phosphate buffered H2O'
   _Sample.Aggregate_sample_number          .
   _Sample.Solvent_system                   solid
   _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  GB1                            '[U-2-13C-glycerol; U-100% 15N]' . . 1 $entity . . 20 . . mg    . . . . 17810 1 
      2  (4R)-2-Metylpentane-2,4-Diol   'natural abundance'              . .  .  .      . . 50 . . %     . . . . 17810 1 
      3 'Isopropyl alcohol'             'natural abundance'              . .  .  .      . . 25 . . %     . . . . 17810 1 
      4  GB1                            'natural abundance'              . . 1 $entity . . 25 . . mg/mL . . . . 17810 1 
      5 'sodium phosphate buffered H2O' 'natural abundance'              . .  .  .      . . 50 . . mM    . . . . 17810 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       17810
   _Sample_condition_list.ID             1
   _Sample_condition_list.Details       '(4R)-2-Metylpentane-2,4-Diol (50% v/v), Isopropyl alcohol (25% v/v), 25 mg/mL GB1 in 50 mM sodium phosphate buffered H2O'

   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'  50   . mM  17810 1 
       pH                5.5 . pH  17810 1 
       pressure          1   . atm 17810 1 
       temperature     273   . K   17810 1 

   stop_

save_


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

save_X-PLOR_NIH
   _Software.Sf_category    software
   _Software.Sf_framecode   X-PLOR_NIH
   _Software.Entry_ID       17810
   _Software.ID             1
   _Software.Name          'X-PLOR NIH'
   _Software.Version        2.18.(2-4)
   _Software.Details       'Build of X-PLOR NIH with CST forcefield'

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

      'Schwieters, Kuszewski, Tjandra and Clore' . . 17810 1 

   stop_

   loop_
      _Task.Task
      _Task.Entry_ID
      _Task.Software_ID

       refinement          17810 1 
      'structure solution' 17810 1 

   stop_

save_


save_Procheck
   _Software.Sf_category    software
   _Software.Sf_framecode   Procheck
   _Software.Entry_ID       17810
   _Software.ID             2
   _Software.Name           Procheck
   _Software.Version        .
   _Software.Details        .

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

      'Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Tho' . . 17810 2 

   stop_

   loop_
      _Task.Task
      _Task.Entry_ID
      _Task.Software_ID

      'data analysis' 17810 2 

   stop_

save_


save_Spinevolution
   _Software.Sf_category    software
   _Software.Sf_framecode   Spinevolution
   _Software.Entry_ID       17810
   _Software.ID             3
   _Software.Name           Spinevolution
   _Software.Version        .
   _Software.Details       'NMR simulaitons'

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

      'M.Veshtort, R.G.Griffin' . . 17810 3 

   stop_

   loop_
      _Task.Task
      _Task.Entry_ID
      _Task.Software_ID

      'data analysis' 17810 3 

   stop_

save_


save_NMRPipe
   _Software.Sf_category    software
   _Software.Sf_framecode   NMRPipe
   _Software.Entry_ID       17810
   _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' . . 17810 4 

   stop_

   loop_
      _Task.Task
      _Task.Entry_ID
      _Task.Software_ID

      'chemical shift assignment' 17810 4 
      'data analysis'             17810 4 
      'peak picking'              17810 4 
       processing                 17810 4 

   stop_

save_


save_Minuit
   _Software.Sf_category    software
   _Software.Sf_framecode   Minuit
   _Software.Entry_ID       17810
   _Software.ID             5
   _Software.Name           Minuit
   _Software.Version        .
   _Software.Details        .

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

      'James, F; Roos, M' . . 17810 5 

   stop_

   loop_
      _Task.Task
      _Task.Entry_ID
      _Task.Software_ID

      'data analysis' 17810 5 

   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         17810
   _NMR_spectrometer.ID               1
   _NMR_spectrometer.Details          .
   _NMR_spectrometer.Manufacturer     Varian
   _NMR_spectrometer.Model           'Infinity Plus'
   _NMR_spectrometer.Serial_number    .
   _NMR_spectrometer.Field_strength   500

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       17810
   _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 Varian 'Infinity Plus' . 500 . . . 17810 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       17810
   _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-NCA-{13C CST}'             no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17810 1 
       2  3D-NCA-{1H-13C}               no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17810 1 
       3 '3D-NCA-{13C CST}:{15N-13C}'   no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17810 1 
       4 '3D-NCA-1:1{13C CST}:{1H-13C}' no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17810 1 
       5 '3D-NCA-2:1{13C CST}:{1H-13C}' no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17810 1 
       6 '3D-NCA-3:1{13C CST}:{1H-13C}' no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17810 1 
       7 '3D-NCA-{15N CST}'             no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17810 1 
       8  3D-NCA-{1H-15N}               no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17810 1 
       9 '3D-NCA-1:1{15N CST}:{1H-15N}' no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17810 1 
      10 '3D-NCA-2:1{15N CST}:{1H-15N}' no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17810 1 
      11 '3D-NCA-1:2{15N CST}:{1H-15N}' no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17810 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       17810
   _Chem_shift_reference.ID             1
   _Chem_shift_reference.Details       'All chemical shifts referenced indirectly to DSS via adamantane spectra acquired immediately before data acquisition.'

   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  .          . . . . . . . . . 17810 1 
      H  1 DSS 'methyl protons' . . . . ppm 0.00 internal direct   1.000000000 . . . . . . . . . 17810 1 
      N 15 DSS  nitrogen        . . . . ppm 0.00 na       indirect 1.0         . . . . . . . . . 17810 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                      17810
   _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                      
;
For details of chemical shift assignment, please see: 
 
W. Trent Franks, Donghua H. Zhou, Benjamin J. Wylie, Brian G. Money, Daniel T. Graesser, Heather L. Frericks, Gurmukh Sahota, and Chad M. Rienstra; J. Am. Chem. Soc. 2005, 127, 12291-12305.
;
   _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-NCA-{13C CST}' . . . 17810 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 MET C   C 13 171.36  0.09 . 1 . . . A  1 MET C   . 17810 1 
        2 . 1 1  1  1 MET CA  C 13  54.33  0.08 . 1 . . . A  1 MET CA  . 17810 1 
        3 . 1 1  1  1 MET CB  C 13  32.50  0.03 . 1 . . . A  1 MET CB  . 17810 1 
        4 . 1 1  1  1 MET CG  C 13  30.25  0.07 . 1 . . . A  1 MET CG  . 17810 1 
        5 . 1 1  1  1 MET CE  C 13  15.87  0.02 . 1 . . . A  1 MET CE  . 17810 1 
        6 . 1 1  1  1 MET N   N 15  39.95  0.03 . 1 . . . A  1 MET N   . 17810 1 
        7 . 1 1  2  2 GLN C   C 13 175.08  0.10 . 1 . . . A  2 GLN C   . 17810 1 
        8 . 1 1  2  2 GLN CA  C 13  55.88  0.05 . 1 . . . A  2 GLN CA  . 17810 1 
        9 . 1 1  2  2 GLN CB  C 13  30.45  0.05 . 1 . . . A  2 GLN CB  . 17810 1 
       10 . 1 1  2  2 GLN CG  C 13  35.34  0.06 . 1 . . . A  2 GLN CG  . 17810 1 
       11 . 1 1  2  2 GLN CD  C 13 180.44  0.07 . 1 . . . A  2 GLN CD  . 17810 1 
       12 . 1 1  2  2 GLN N   N 15 125.24  0.07 . 1 . . . A  2 GLN N   . 17810 1 
       13 . 1 1  2  2 GLN NE2 N 15 113.22  0.03 . 1 . . . A  2 GLN NE2 . 17810 1 
       14 . 1 1  3  3 TYR C   C 13 174.98  0.08 . 1 . . . A  3 TYR C   . 17810 1 
       15 . 1 1  3  3 TYR CA  C 13  57.01  0.04 . 1 . . . A  3 TYR CA  . 17810 1 
       16 . 1 1  3  3 TYR CB  C 13  43.67  0.10 . 1 . . . A  3 TYR CB  . 17810 1 
       17 . 1 1  3  3 TYR CG  C 13 128.52  0.16 . 1 . . . A  3 TYR CG  . 17810 1 
       18 . 1 1  3  3 TYR CD1 C 13 131.97  0.11 . 3 . . . A  3 TYR CD1 . 17810 1 
       19 . 1 1  3  3 TYR CD2 C 13 134.72  0.11 . 3 . . . A  3 TYR CD2 . 17810 1 
       20 . 1 1  3  3 TYR CE1 C 13 118.34  0.07 . 3 . . . A  3 TYR CE1 . 17810 1 
       21 . 1 1  3  3 TYR CE2 C 13 118.34  0.07 . 3 . . . A  3 TYR CE2 . 17810 1 
       22 . 1 1  3  3 TYR CZ  C 13 158.33  0.19 . 1 . . . A  3 TYR CZ  . 17810 1 
       23 . 1 1  3  3 TYR N   N 15 123.34  0.08 . 1 . . . A  3 TYR N   . 17810 1 
       24 . 1 1  4  4 LYS C   C 13 173.31  0.09 . 1 . . . A  4 LYS C   . 17810 1 
       25 . 1 1  4  4 LYS CA  C 13  54.88  0.08 . 1 . . . A  4 LYS CA  . 17810 1 
       26 . 1 1  4  4 LYS CB  C 13  36.25  0.09 . 1 . . . A  4 LYS CB  . 17810 1 
       27 . 1 1  4  4 LYS CG  C 13  25.65  0.08 . 1 . . . A  4 LYS CG  . 17810 1 
       28 . 1 1  4  4 LYS CD  C 13  29.08  0.06 . 1 . . . A  4 LYS CD  . 17810 1 
       29 . 1 1  4  4 LYS CE  C 13  42.37  0.04 . 1 . . . A  4 LYS CE  . 17810 1 
       30 . 1 1  4  4 LYS N   N 15 122.67  0.06 . 1 . . . A  4 LYS N   . 17810 1 
       31 . 1 1  4  4 LYS NZ  N 15  33.14  0.10 . 1 . . . A  4 LYS NZ  . 17810 1 
       32 . 1 1  5  5 LEU C   C 13 174.80  0.07 . 1 . . . A  5 LEU C   . 17810 1 
       33 . 1 1  5  5 LEU CA  C 13  52.97  0.05 . 1 . . . A  5 LEU CA  . 17810 1 
       34 . 1 1  5  5 LEU CB  C 13  42.54  0.08 . 1 . . . A  5 LEU CB  . 17810 1 
       35 . 1 1  5  5 LEU CG  C 13  27.44  0.05 . 1 . . . A  5 LEU CG  . 17810 1 
       36 . 1 1  5  5 LEU CD1 C 13  25.95  0.08 . 2 . . . A  5 LEU CD1 . 17810 1 
       37 . 1 1  5  5 LEU CD2 C 13  25.05  0.05 . 2 . . . A  5 LEU CD2 . 17810 1 
       38 . 1 1  5  5 LEU N   N 15 126.98  0.05 . 1 . . . A  5 LEU N   . 17810 1 
       39 . 1 1  6  6 ILE C   C 13 175.31  0.08 . 1 . . . A  6 ILE C   . 17810 1 
       40 . 1 1  6  6 ILE CA  C 13  59.97  0.07 . 1 . . . A  6 ILE CA  . 17810 1 
       41 . 1 1  6  6 ILE CB  C 13  37.85  0.07 . 1 . . . A  6 ILE CB  . 17810 1 
       42 . 1 1  6  6 ILE CG1 C 13  27.47  0.07 . 1 . . . A  6 ILE CG1 . 17810 1 
       43 . 1 1  6  6 ILE CG2 C 13  17.59  0.05 . 1 . . . A  6 ILE CG2 . 17810 1 
       44 . 1 1  6  6 ILE CD1 C 13  12.77  0.04 . 1 . . . A  6 ILE CD1 . 17810 1 
       45 . 1 1  6  6 ILE N   N 15 126.26  0.07 . 1 . . . A  6 ILE N   . 17810 1 
       46 . 1 1  7  7 LEU C   C 13 175.12  0.04 . 1 . . . A  7 LEU C   . 17810 1 
       47 . 1 1  7  7 LEU CA  C 13  54.66  0.10 . 1 . . . A  7 LEU CA  . 17810 1 
       48 . 1 1  7  7 LEU CB  C 13  42.90  0.07 . 1 . . . A  7 LEU CB  . 17810 1 
       49 . 1 1  7  7 LEU CG  C 13  27.18  0.09 . 1 . . . A  7 LEU CG  . 17810 1 
       50 . 1 1  7  7 LEU CD1 C 13  26.94  0.09 . 2 . . . A  7 LEU CD1 . 17810 1 
       51 . 1 1  7  7 LEU CD2 C 13  25.11  0.03 . 2 . . . A  7 LEU CD2 . 17810 1 
       52 . 1 1  7  7 LEU N   N 15 127.08  0.05 . 1 . . . A  7 LEU N   . 17810 1 
       53 . 1 1  8  8 ASN C   C 13 176.43  0.05 . 1 . . . A  8 ASN C   . 17810 1 
       54 . 1 1  8  8 ASN CA  C 13  50.72  0.07 . 1 . . . A  8 ASN CA  . 17810 1 
       55 . 1 1  8  8 ASN CB  C 13  38.37  0.10 . 1 . . . A  8 ASN CB  . 17810 1 
       56 . 1 1  8  8 ASN CG  C 13 176.55  0.04 . 1 . . . A  8 ASN CG  . 17810 1 
       57 . 1 1  8  8 ASN N   N 15 125.11  0.07 . 1 . . . A  8 ASN N   . 17810 1 
       58 . 1 1  8  8 ASN ND2 N 15 110.85  0.08 . 1 . . . A  8 ASN ND2 . 17810 1 
       59 . 1 1  9  9 GLY C   C 13 173.22  0.08 . 1 . . . A  9 GLY C   . 17810 1 
       60 . 1 1  9  9 GLY CA  C 13  44.58  0.05 . 1 . . . A  9 GLY CA  . 17810 1 
       61 . 1 1  9  9 GLY N   N 15 109.62  0.03 . 1 . . . A  9 GLY N   . 17810 1 
       62 . 1 1 10 10 LYS C   C 13 179.17  0.07 . 1 . . . A 10 LYS C   . 17810 1 
       63 . 1 1 10 10 LYS CA  C 13  59.27  0.05 . 1 . . . A 10 LYS CA  . 17810 1 
       64 . 1 1 10 10 LYS CB  C 13  32.85  0.07 . 1 . . . A 10 LYS CB  . 17810 1 
       65 . 1 1 10 10 LYS CG  C 13  25.83  0.06 . 1 . . . A 10 LYS CG  . 17810 1 
       66 . 1 1 10 10 LYS CD  C 13  29.15  0.09 . 1 . . . A 10 LYS CD  . 17810 1 
       67 . 1 1 10 10 LYS CE  C 13  42.07  0.07 . 1 . . . A 10 LYS CE  . 17810 1 
       68 . 1 1 10 10 LYS N   N 15 121.07  0.08 . 1 . . . A 10 LYS N   . 17810 1 
       69 . 1 1 10 10 LYS NZ  N 15  33.13  0.06 . 1 . . . A 10 LYS NZ  . 17810 1 
       70 . 1 1 11 11 THR C   C 13 173.42  0.09 . 1 . . . A 11 THR C   . 17810 1 
       71 . 1 1 11 11 THR CA  C 13  61.91  0.05 . 1 . . . A 11 THR CA  . 17810 1 
       72 . 1 1 11 11 THR CB  C 13  69.49  0.05 . 1 . . . A 11 THR CB  . 17810 1 
       73 . 1 1 11 11 THR CG2 C 13  22.63  0.07 . 1 . . . A 11 THR CG2 . 17810 1 
       74 . 1 1 11 11 THR N   N 15 106.40  0.05 . 1 . . . A 11 THR N   . 17810 1 
       75 . 1 1 12 12 LEU C   C 13 173.85  0.07 . 1 . . . A 12 LEU C   . 17810 1 
       76 . 1 1 12 12 LEU CA  C 13  54.43  0.07 . 1 . . . A 12 LEU CA  . 17810 1 
       77 . 1 1 12 12 LEU CB  C 13  43.07  0.07 . 1 . . . A 12 LEU CB  . 17810 1 
       78 . 1 1 12 12 LEU CG  C 13  27.93  0.08 . 1 . . . A 12 LEU CG  . 17810 1 
       79 . 1 1 12 12 LEU CD1 C 13  26.09  0.07 . 2 . . . A 12 LEU CD1 . 17810 1 
       80 . 1 1 12 12 LEU CD2 C 13  23.01  0.05 . 2 . . . A 12 LEU CD2 . 17810 1 
       81 . 1 1 12 12 LEU N   N 15 127.76  0.06 . 1 . . . A 12 LEU N   . 17810 1 
       82 . 1 1 13 13 LYS C   C 13 175.83  0.06 . 1 . . . A 13 LYS C   . 17810 1 
       83 . 1 1 13 13 LYS CA  C 13  53.34  0.06 . 1 . . . A 13 LYS CA  . 17810 1 
       84 . 1 1 13 13 LYS CB  C 13  38.83  0.09 . 1 . . . A 13 LYS CB  . 17810 1 
       85 . 1 1 13 13 LYS CG  C 13  26.12  0.08 . 1 . . . A 13 LYS CG  . 17810 1 
       86 . 1 1 13 13 LYS CD  C 13  29.76  0.02 . 1 . . . A 13 LYS CD  . 17810 1 
       87 . 1 1 13 13 LYS CE  C 13  43.00  0.10 . 1 . . . A 13 LYS CE  . 17810 1 
       88 . 1 1 13 13 LYS N   N 15 123.25  0.06 . 1 . . . A 13 LYS N   . 17810 1 
       89 . 1 1 13 13 LYS NZ  N 15  31.33  0.10 . 1 . . . A 13 LYS NZ  . 17810 1 
       90 . 1 1 14 14 GLY C   C 13 171.37  0.10 . 1 . . . A 14 GLY C   . 17810 1 
       91 . 1 1 14 14 GLY CA  C 13  44.89  0.08 . 1 . . . A 14 GLY CA  . 17810 1 
       92 . 1 1 14 14 GLY N   N 15 105.61  0.07 . 1 . . . A 14 GLY N   . 17810 1 
       93 . 1 1 15 15 GLU C   C 13 174.11  0.09 . 1 . . . A 15 GLU C   . 17810 1 
       94 . 1 1 15 15 GLU CA  C 13  53.89  0.06 . 1 . . . A 15 GLU CA  . 17810 1 
       95 . 1 1 15 15 GLU CB  C 13  34.16  0.08 . 1 . . . A 15 GLU CB  . 17810 1 
       96 . 1 1 15 15 GLU CG  C 13  35.14  0.10 . 1 . . . A 15 GLU CG  . 17810 1 
       97 . 1 1 15 15 GLU CD  C 13 181.88  0.10 . 1 . . . A 15 GLU CD  . 17810 1 
       98 . 1 1 15 15 GLU N   N 15 121.07  0.05 . 1 . . . A 15 GLU N   . 17810 1 
       99 . 1 1 16 16 THR C   C 13 172.04  0.09 . 1 . . . A 16 THR C   . 17810 1 
      100 . 1 1 16 16 THR CA  C 13  60.12  0.06 . 1 . . . A 16 THR CA  . 17810 1 
      101 . 1 1 16 16 THR CB  C 13  70.51  0.06 . 1 . . . A 16 THR CB  . 17810 1 
      102 . 1 1 16 16 THR CG2 C 13  20.07  0.08 . 1 . . . A 16 THR CG2 . 17810 1 
      103 . 1 1 16 16 THR N   N 15 115.18  0.08 . 1 . . . A 16 THR N   . 17810 1 
      104 . 1 1 17 17 THR C   C 13 174.25  0.07 . 1 . . . A 17 THR C   . 17810 1 
      105 . 1 1 17 17 THR CA  C 13  60.32  0.10 . 1 . . . A 17 THR CA  . 17810 1 
      106 . 1 1 17 17 THR CB  C 13  72.64  0.07 . 1 . . . A 17 THR CB  . 17810 1 
      107 . 1 1 17 17 THR CG2 C 13  21.79  0.10 . 1 . . . A 17 THR CG2 . 17810 1 
      108 . 1 1 17 17 THR N   N 15 116.05  0.07 . 1 . . . A 17 THR N   . 17810 1 
      109 . 1 1 18 18 THR C   C 13 171.27  0.06 . 1 . . . A 18 THR C   . 17810 1 
      110 . 1 1 18 18 THR CA  C 13  61.31  0.08 . 1 . . . A 18 THR CA  . 17810 1 
      111 . 1 1 18 18 THR CB  C 13  70.84  0.04 . 1 . . . A 18 THR CB  . 17810 1 
      112 . 1 1 18 18 THR CG2 C 13  18.91  0.08 . 1 . . . A 18 THR CG2 . 17810 1 
      113 . 1 1 18 18 THR N   N 15 116.26  0.08 . 1 . . . A 18 THR N   . 17810 1 
      114 . 1 1 19 19 GLU C   C 13 175.90  0.08 . 1 . . . A 19 GLU C   . 17810 1 
      115 . 1 1 19 19 GLU CA  C 13  54.33  0.08 . 1 . . . A 19 GLU CA  . 17810 1 
      116 . 1 1 19 19 GLU CB  C 13  30.56  0.10 . 1 . . . A 19 GLU CB  . 17810 1 
      117 . 1 1 19 19 GLU CG  C 13  35.75  0.06 . 1 . . . A 19 GLU CG  . 17810 1 
      118 . 1 1 19 19 GLU CD  C 13 182.18  0.08 . 1 . . . A 19 GLU CD  . 17810 1 
      119 . 1 1 19 19 GLU N   N 15 125.35  0.10 . 1 . . . A 19 GLU N   . 17810 1 
      120 . 1 1 20 20 ALA C   C 13 177.79  0.09 . 1 . . . A 20 ALA C   . 17810 1 
      121 . 1 1 20 20 ALA CA  C 13  50.69  0.04 . 1 . . . A 20 ALA CA  . 17810 1 
      122 . 1 1 20 20 ALA CB  C 13  23.67  0.04 . 1 . . . A 20 ALA CB  . 17810 1 
      123 . 1 1 20 20 ALA N   N 15 125.88  0.04 . 1 . . . A 20 ALA N   . 17810 1 
      124 . 1 1 21 21 VAL C   C 13 175.10  0.10 . 1 . . . A 21 VAL C   . 17810 1 
      125 . 1 1 21 21 VAL CA  C 13  63.47  0.10 . 1 . . . A 21 VAL CA  . 17810 1 
      126 . 1 1 21 21 VAL CB  C 13  31.96  0.10 . 1 . . . A 21 VAL CB  . 17810 1 
      127 . 1 1 21 21 VAL CG1 C 13  20.20  0.10 . 2 . . . A 21 VAL CG1 . 17810 1 
      128 . 1 1 21 21 VAL CG2 C 13  21.22  0.10 . 2 . . . A 21 VAL CG2 . 17810 1 
      129 . 1 1 21 21 VAL N   N 15 116.28  0.09 . 1 . . . A 21 VAL N   . 17810 1 
      130 . 1 1 22 22 ASP C   C 13 175.08  0.09 . 1 . . . A 22 ASP C   . 17810 1 
      131 . 1 1 22 22 ASP CA  C 13  52.53  0.07 . 1 . . . A 22 ASP CA  . 17810 1 
      132 . 1 1 22 22 ASP CB  C 13  42.30  0.09 . 1 . . . A 22 ASP CB  . 17810 1 
      133 . 1 1 22 22 ASP CG  C 13 179.88  0.04 . 1 . . . A 22 ASP CG  . 17810 1 
      134 . 1 1 22 22 ASP N   N 15 115.52  0.07 . 1 . . . A 22 ASP N   . 17810 1 
      135 . 1 1 23 23 ALA C   C 13 179.73  0.04 . 1 . . . A 23 ALA C   . 17810 1 
      136 . 1 1 23 23 ALA CA  C 13  54.55  0.07 . 1 . . . A 23 ALA CA  . 17810 1 
      137 . 1 1 23 23 ALA CB  C 13  18.20  0.04 . 1 . . . A 23 ALA CB  . 17810 1 
      138 . 1 1 23 23 ALA N   N 15 122.82  0.05 . 1 . . . A 23 ALA N   . 17810 1 
      139 . 1 1 24 24 ALA C   C 13 181.53  0.09 . 1 . . . A 24 ALA C   . 17810 1 
      140 . 1 1 24 24 ALA CA  C 13  54.54  0.07 . 1 . . . A 24 ALA CA  . 17810 1 
      141 . 1 1 24 24 ALA CB  C 13  18.20  0.07 . 1 . . . A 24 ALA CB  . 17810 1 
      142 . 1 1 24 24 ALA N   N 15 120.75  0.04 . 1 . . . A 24 ALA N   . 17810 1 
      143 . 1 1 25 25 THR C   C 13 175.92  0.06 . 1 . . . A 25 THR C   . 17810 1 
      144 . 1 1 25 25 THR CA  C 13  67.23  0.12 . 1 . . . A 25 THR CA  . 17810 1 
      145 . 1 1 25 25 THR CB  C 13  67.82  0.11 . 1 . . . A 25 THR CB  . 17810 1 
      146 . 1 1 25 25 THR CG2 C 13  21.38  0.08 . 1 . . . A 25 THR CG2 . 17810 1 
      147 . 1 1 25 25 THR N   N 15 117.37  0.07 . 1 . . . A 25 THR N   . 17810 1 
      148 . 1 1 26 26 ALA C   C 13 177.28  0.07 . 1 . . . A 26 ALA C   . 17810 1 
      149 . 1 1 26 26 ALA CA  C 13  55.02  0.09 . 1 . . . A 26 ALA CA  . 17810 1 
      150 . 1 1 26 26 ALA CB  C 13  17.55  0.09 . 1 . . . A 26 ALA CB  . 17810 1 
      151 . 1 1 26 26 ALA N   N 15 123.99  0.08 . 1 . . . A 26 ALA N   . 17810 1 
      152 . 1 1 27 27 GLU C   C 13 177.82  0.07 . 1 . . . A 27 GLU C   . 17810 1 
      153 . 1 1 27 27 GLU CA  C 13  59.09  0.05 . 1 . . . A 27 GLU CA  . 17810 1 
      154 . 1 1 27 27 GLU CB  C 13  29.06  0.08 . 1 . . . A 27 GLU CB  . 17810 1 
      155 . 1 1 27 27 GLU CG  C 13  35.54  0.07 . 1 . . . A 27 GLU CG  . 17810 1 
      156 . 1 1 27 27 GLU CD  C 13 181.73  0.08 . 1 . . . A 27 GLU CD  . 17810 1 
      157 . 1 1 27 27 GLU N   N 15 116.35  0.04 . 1 . . . A 27 GLU N   . 17810 1 
      158 . 1 1 28 28 LYS C   C 13 179.24  0.04 . 1 . . . A 28 LYS C   . 17810 1 
      159 . 1 1 28 28 LYS CA  C 13  60.19  0.05 . 1 . . . A 28 LYS CA  . 17810 1 
      160 . 1 1 28 28 LYS CB  C 13  32.79  0.05 . 1 . . . A 28 LYS CB  . 17810 1 
      161 . 1 1 28 28 LYS CG  C 13  26.47  0.08 . 1 . . . A 28 LYS CG  . 17810 1 
      162 . 1 1 28 28 LYS CD  C 13  30.07  0.07 . 1 . . . A 28 LYS CD  . 17810 1 
      163 . 1 1 28 28 LYS CE  C 13  42.282 0.03 . 1 . . . A 28 LYS CE  . 17810 1 
      164 . 1 1 28 28 LYS N   N 15 117.38  0.06 . 1 . . . A 28 LYS N   . 17810 1 
      165 . 1 1 28 28 LYS NZ  N 15  32.57  0.10 . 1 . . . A 28 LYS NZ  . 17810 1 
      166 . 1 1 29 29 VAL C   C 13 178.98  0.09 . 1 . . . A 29 VAL C   . 17810 1 
      167 . 1 1 29 29 VAL CA  C 13  66.31  0.08 . 1 . . . A 29 VAL CA  . 17810 1 
      168 . 1 1 29 29 VAL CB  C 13  31.92  0.07 . 1 . . . A 29 VAL CB  . 17810 1 
      169 . 1 1 29 29 VAL CG1 C 13  22.19  0.06 . 2 . . . A 29 VAL CG1 . 17810 1 
      170 . 1 1 29 29 VAL CG2 C 13  20.99  0.04 . 2 . . . A 29 VAL CG2 . 17810 1 
      171 . 1 1 29 29 VAL N   N 15 119.34  0.05 . 1 . . . A 29 VAL N   . 17810 1 
      172 . 1 1 30 30 PHE C   C 13 179.09  0.20 . 1 . . . A 30 PHE C   . 17810 1 
      173 . 1 1 30 30 PHE CA  C 13  57.54  0.06 . 1 . . . A 30 PHE CA  . 17810 1 
      174 . 1 1 30 30 PHE CB  C 13  37.49  0.07 . 1 . . . A 30 PHE CB  . 17810 1 
      175 . 1 1 30 30 PHE CG  C 13 138.38  0.20 . 1 . . . A 30 PHE CG  . 17810 1 
      176 . 1 1 30 30 PHE CD1 C 13 132.33  0.23 . 3 . . . A 30 PHE CD1 . 17810 1 
      177 . 1 1 30 30 PHE CD2 C 13 132.33  0.23 . 3 . . . A 30 PHE CD2 . 17810 1 
      178 . 1 1 30 30 PHE CE1 C 13 130.90  0.35 . 3 . . . A 30 PHE CE1 . 17810 1 
      179 . 1 1 30 30 PHE CE2 C 13 130.90  0.35 . 3 . . . A 30 PHE CE2 . 17810 1 
      180 . 1 1 30 30 PHE CZ  C 13 130.90  0.35 . 1 . . . A 30 PHE CZ  . 17810 1 
      181 . 1 1 30 30 PHE N   N 15 118.68  0.07 . 1 . . . A 30 PHE N   . 17810 1 
      182 . 1 1 31 31 LYS C   C 13 179.57  0.09 . 1 . . . A 31 LYS C   . 17810 1 
      183 . 1 1 31 31 LYS CA  C 13  60.11  0.07 . 1 . . . A 31 LYS CA  . 17810 1 
      184 . 1 1 31 31 LYS CB  C 13  31.61  0.08 . 1 . . . A 31 LYS CB  . 17810 1 
      185 . 1 1 31 31 LYS CG  C 13  27.25  0.08 . 1 . . . A 31 LYS CG  . 17810 1 
      186 . 1 1 31 31 LYS CD  C 13  29.30  0.06 . 1 . . . A 31 LYS CD  . 17810 1 
      187 . 1 1 31 31 LYS CE  C 13  41.24  0.10 . 1 . . . A 31 LYS CE  . 17810 1 
      188 . 1 1 31 31 LYS N   N 15 120.76  0.05 . 1 . . . A 31 LYS N   . 17810 1 
      189 . 1 1 31 31 LYS NZ  N 15  32.20  0.08 . 1 . . . A 31 LYS NZ  . 17810 1 
      190 . 1 1 32 32 GLN C   C 13 177.58  0.08 . 1 . . . A 32 GLN C   . 17810 1 
      191 . 1 1 32 32 GLN CA  C 13  58.92  0.06 . 1 . . . A 32 GLN CA  . 17810 1 
      192 . 1 1 32 32 GLN CB  C 13  28.97  0.06 . 1 . . . A 32 GLN CB  . 17810 1 
      193 . 1 1 32 32 GLN CG  C 13  34.18  0.09 . 1 . . . A 32 GLN CG  . 17810 1 
      194 . 1 1 32 32 GLN CD  C 13 180.04  0.05 . 1 . . . A 32 GLN CD  . 17810 1 
      195 . 1 1 32 32 GLN N   N 15 121.29  0.03 . 1 . . . A 32 GLN N   . 17810 1 
      196 . 1 1 32 32 GLN NE2 N 15 115.61  0.06 . 1 . . . A 32 GLN NE2 . 17810 1 
      197 . 1 1 33 33 TYR C   C 13 178.82  0.07 . 1 . . . A 33 TYR C   . 17810 1 
      198 . 1 1 33 33 TYR CA  C 13  61.59  0.04 . 1 . . . A 33 TYR CA  . 17810 1 
      199 . 1 1 33 33 TYR CB  C 13  36.98  0.19 . 1 . . . A 33 TYR CB  . 17810 1 
      200 . 1 1 33 33 TYR CG  C 13 129.82  0.13 . 1 . . . A 33 TYR CG  . 17810 1 
      201 . 1 1 33 33 TYR CD1 C 13 132.53  0.10 . 3 . . . A 33 TYR CD1 . 17810 1 
      202 . 1 1 33 33 TYR CD2 C 13 132.53  0.10 . 3 . . . A 33 TYR CD2 . 17810 1 
      203 . 1 1 33 33 TYR CE1 C 13 118.69  0.19 . 3 . . . A 33 TYR CE1 . 17810 1 
      204 . 1 1 33 33 TYR CE2 C 13 118.69  0.19 . 3 . . . A 33 TYR CE2 . 17810 1 
      205 . 1 1 33 33 TYR CZ  C 13 159.36  0.09 . 1 . . . A 33 TYR CZ  . 17810 1 
      206 . 1 1 33 33 TYR N   N 15 120.99  0.04 . 1 . . . A 33 TYR N   . 17810 1 
      207 . 1 1 34 34 ALA C   C 13 179.62  0.08 . 1 . . . A 34 ALA C   . 17810 1 
      208 . 1 1 34 34 ALA CA  C 13  56.07  0.05 . 1 . . . A 34 ALA CA  . 17810 1 
      209 . 1 1 34 34 ALA CB  C 13  18.10  0.05 . 1 . . . A 34 ALA CB  . 17810 1 
      210 . 1 1 34 34 ALA N   N 15 122.68  0.04 . 1 . . . A 34 ALA N   . 17810 1 
      211 . 1 1 35 35 ASN C   C 13 179.56  0.10 . 1 . . . A 35 ASN C   . 17810 1 
      212 . 1 1 35 35 ASN CA  C 13  57.04  0.09 . 1 . . . A 35 ASN CA  . 17810 1 
      213 . 1 1 35 35 ASN CB  C 13  39.25  0.09 . 1 . . . A 35 ASN CB  . 17810 1 
      214 . 1 1 35 35 ASN CG  C 13 176.11  0.07 . 1 . . . A 35 ASN CG  . 17810 1 
      215 . 1 1 35 35 ASN N   N 15 118.20  0.06 . 1 . . . A 35 ASN N   . 17810 1 
      216 . 1 1 35 35 ASN ND2 N 15 113.20  0.08 . 1 . . . A 35 ASN ND2 . 17810 1 
      217 . 1 1 36 36 ASP C   C 13 176.18  0.04 . 1 . . . A 36 ASP C   . 17810 1 
      218 . 1 1 36 36 ASP CA  C 13  55.91  0.06 . 1 . . . A 36 ASP CA  . 17810 1 
      219 . 1 1 36 36 ASP CB  C 13  38.31  0.06 . 1 . . . A 36 ASP CB  . 17810 1 
      220 . 1 1 36 36 ASP CG  C 13 177.80  0.10 . 1 . . . A 36 ASP CG  . 17810 1 
      221 . 1 1 36 36 ASP N   N 15 121.08  0.05 . 1 . . . A 36 ASP N   . 17810 1 
      222 . 1 1 37 37 ASN C   C 13 174.28  0.08 . 1 . . . A 37 ASN C   . 17810 1 
      223 . 1 1 37 37 ASN CA  C 13  53.51  0.05 . 1 . . . A 37 ASN CA  . 17810 1 
      224 . 1 1 37 37 ASN CB  C 13  40.35  0.08 . 1 . . . A 37 ASN CB  . 17810 1 
      225 . 1 1 37 37 ASN CG  C 13 176.88  0.08 . 1 . . . A 37 ASN CG  . 17810 1 
      226 . 1 1 37 37 ASN N   N 15 115.04  0.07 . 1 . . . A 37 ASN N   . 17810 1 
      227 . 1 1 37 37 ASN ND2 N 15 114.59  0.08 . 1 . . . A 37 ASN ND2 . 17810 1 
      228 . 1 1 38 38 GLY C   C 13 174.03  0.08 . 1 . . . A 38 GLY C   . 17810 1 
      229 . 1 1 38 38 GLY CA  C 13  46.80  0.07 . 1 . . . A 38 GLY CA  . 17810 1 
      230 . 1 1 38 38 GLY N   N 15 108.35  0.05 . 1 . . . A 38 GLY N   . 17810 1 
      231 . 1 1 39 39 VAL C   C 13 175.20  0.10 . 1 . . . A 39 VAL C   . 17810 1 
      232 . 1 1 39 39 VAL CA  C 13  61.72  0.07 . 1 . . . A 39 VAL CA  . 17810 1 
      233 . 1 1 39 39 VAL CB  C 13  31.94  0.07 . 1 . . . A 39 VAL CB  . 17810 1 
      234 . 1 1 39 39 VAL CG1 C 13  21.94  0.04 . 1 . . . A 39 VAL CG1 . 17810 1 
      235 . 1 1 39 39 VAL CG2 C 13  18.20  0.04 . 1 . . . A 39 VAL CG2 . 17810 1 
      236 . 1 1 39 39 VAL N   N 15 121.79  0.05 . 1 . . . A 39 VAL N   . 17810 1 
      237 . 1 1 40 40 ASP C   C 13 174.89  0.08 . 1 . . . A 40 ASP C   . 17810 1 
      238 . 1 1 40 40 ASP CA  C 13  52.77  0.05 . 1 . . . A 40 ASP CA  . 17810 1 
      239 . 1 1 40 40 ASP CB  C 13  41.71  0.06 . 1 . . . A 40 ASP CB  . 17810 1 
      240 . 1 1 40 40 ASP CG  C 13 180.73  0.10 . 1 . . . A 40 ASP CG  . 17810 1 
      241 . 1 1 40 40 ASP N   N 15 131.05  0.04 . 1 . . . A 40 ASP N   . 17810 1 
      242 . 1 1 41 41 GLY C   C 13 172.81  0.08 . 1 . . . A 41 GLY C   . 17810 1 
      243 . 1 1 41 41 GLY CA  C 13  45.10  0.08 . 1 . . . A 41 GLY CA  . 17810 1 
      244 . 1 1 41 41 GLY N   N 15 108.10  0.03 . 1 . . . A 41 GLY N   . 17810 1 
      245 . 1 1 42 42 GLU C   C 13 177.94  0.08 . 1 . . . A 42 GLU C   . 17810 1 
      246 . 1 1 42 42 GLU CA  C 13  55.10  0.09 . 1 . . . A 42 GLU CA  . 17810 1 
      247 . 1 1 42 42 GLU CB  C 13  31.48  0.09 . 1 . . . A 42 GLU CB  . 17810 1 
      248 . 1 1 42 42 GLU CG  C 13  35.68  0.13 . 1 . . . A 42 GLU CG  . 17810 1 
      249 . 1 1 42 42 GLU CD  C 13 181.82  0.07 . 1 . . . A 42 GLU CD  . 17810 1 
      250 . 1 1 42 42 GLU N   N 15 119.02  0.05 . 1 . . . A 42 GLU N   . 17810 1 
      251 . 1 1 43 43 TRP C   C 13 177.42  0.08 . 1 . . . A 43 TRP C   . 17810 1 
      252 . 1 1 43 43 TRP CA  C 13  57.46  0.06 . 1 . . . A 43 TRP CA  . 17810 1 
      253 . 1 1 43 43 TRP CB  C 13  33.81  0.08 . 1 . . . A 43 TRP CB  . 17810 1 
      254 . 1 1 43 43 TRP CG  C 13 111.78  0.07 . 1 . . . A 43 TRP CG  . 17810 1 
      255 . 1 1 43 43 TRP CD1 C 13 127.17  0.08 . 1 . . . A 43 TRP CD1 . 17810 1 
      256 . 1 1 43 43 TRP CD2 C 13 129.71  0.05 . 1 . . . A 43 TRP CD2 . 17810 1 
      257 . 1 1 43 43 TRP CE2 C 13 138.49  0.05 . 1 . . . A 43 TRP CE2 . 17810 1 
      258 . 1 1 43 43 TRP CE3 C 13 119.87  0.09 . 1 . . . A 43 TRP CE3 . 17810 1 
      259 . 1 1 43 43 TRP CZ2 C 13 114.71  0.09 . 1 . . . A 43 TRP CZ2 . 17810 1 
      260 . 1 1 43 43 TRP CZ3 C 13 120.63  0.06 . 1 . . . A 43 TRP CZ3 . 17810 1 
      261 . 1 1 43 43 TRP CH2 C 13 123.17  0.06 . 1 . . . A 43 TRP CH2 . 17810 1 
      262 . 1 1 43 43 TRP N   N 15 124.95  0.06 . 1 . . . A 43 TRP N   . 17810 1 
      263 . 1 1 43 43 TRP NE1 N 15 131.65  0.12 . 1 . . . A 43 TRP NE1 . 17810 1 
      264 . 1 1 44 44 THR C   C 13 174.03  0.06 . 1 . . . A 44 THR C   . 17810 1 
      265 . 1 1 44 44 THR CA  C 13  60.94  0.10 . 1 . . . A 44 THR CA  . 17810 1 
      266 . 1 1 44 44 THR CB  C 13  73.09  0.06 . 1 . . . A 44 THR CB  . 17810 1 
      267 . 1 1 44 44 THR CG2 C 13  21.12  0.10 . 1 . . . A 44 THR CG2 . 17810 1 
      268 . 1 1 44 44 THR N   N 15 109.21  0.08 . 1 . . . A 44 THR N   . 17810 1 
      269 . 1 1 45 45 TYR C   C 13 171.91  0.09 . 1 . . . A 45 TYR C   . 17810 1 
      270 . 1 1 45 45 TYR CA  C 13  57.84  0.06 . 1 . . . A 45 TYR CA  . 17810 1 
      271 . 1 1 45 45 TYR CB  C 13  42.62  0.05 . 1 . . . A 45 TYR CB  . 17810 1 
      272 . 1 1 45 45 TYR CG  C 13 127.79  0.06 . 1 . . . A 45 TYR CG  . 17810 1 
      273 . 1 1 45 45 TYR CD1 C 13 132.51  0.06 . 3 . . . A 45 TYR CD1 . 17810 1 
      274 . 1 1 45 45 TYR CD2 C 13 132.19  0.16 . 3 . . . A 45 TYR CD2 . 17810 1 
      275 . 1 1 45 45 TYR CE1 C 13 118.79  0.08 . 3 . . . A 45 TYR CE1 . 17810 1 
      276 . 1 1 45 45 TYR CE2 C 13 116.22  0.06 . 3 . . . A 45 TYR CE2 . 17810 1 
      277 . 1 1 45 45 TYR CZ  C 13 157.53  0.10 . 1 . . . A 45 TYR CZ  . 17810 1 
      278 . 1 1 45 45 TYR N   N 15 118.61  0.08 . 1 . . . A 45 TYR N   . 17810 1 
      279 . 1 1 46 46 ASP C   C 13 176.30  0.06 . 1 . . . A 46 ASP C   . 17810 1 
      280 . 1 1 46 46 ASP CA  C 13  50.89  0.05 . 1 . . . A 46 ASP CA  . 17810 1 
      281 . 1 1 46 46 ASP CB  C 13  42.60  0.07 . 1 . . . A 46 ASP CB  . 17810 1 
      282 . 1 1 46 46 ASP CG  C 13 180.17  0.08 . 1 . . . A 46 ASP CG  . 17810 1 
      283 . 1 1 46 46 ASP N   N 15 126.34  0.06 . 1 . . . A 46 ASP N   . 17810 1 
      284 . 1 1 47 47 ASP C   C 13 177.51  0.09 . 1 . . . A 47 ASP C   . 17810 1 
      285 . 1 1 47 47 ASP CA  C 13  54.64  0.07 . 1 . . . A 47 ASP CA  . 17810 1 
      286 . 1 1 47 47 ASP CB  C 13  43.00  0.08 . 1 . . . A 47 ASP CB  . 17810 1 
      287 . 1 1 47 47 ASP CG  C 13 179.84  0.07 . 1 . . . A 47 ASP CG  . 17810 1 
      288 . 1 1 47 47 ASP N   N 15 123.39  0.03 . 1 . . . A 47 ASP N   . 17810 1 
      289 . 1 1 48 48 ALA C   C 13 179.70  0.05 . 1 . . . A 48 ALA C   . 17810 1 
      290 . 1 1 48 48 ALA CA  C 13  53.99  0.04 . 1 . . . A 48 ALA CA  . 17810 1 
      291 . 1 1 48 48 ALA CB  C 13  19.00  0.04 . 1 . . . A 48 ALA CB  . 17810 1 
      292 . 1 1 48 48 ALA N   N 15 118.98  0.06 . 1 . . . A 48 ALA N   . 17810 1 
      293 . 1 1 49 49 THR C   C 13 175.84  0.09 . 1 . . . A 49 THR C   . 17810 1 
      294 . 1 1 49 49 THR CA  C 13  60.27  0.08 . 1 . . . A 49 THR CA  . 17810 1 
      295 . 1 1 49 49 THR CB  C 13  69.90  0.06 . 1 . . . A 49 THR CB  . 17810 1 
      296 . 1 1 49 49 THR CG2 C 13  21.57  0.05 . 1 . . . A 49 THR CG2 . 17810 1 
      297 . 1 1 49 49 THR N   N 15 104.23  0.03 . 1 . . . A 49 THR N   . 17810 1 
      298 . 1 1 50 50 LYS C   C 13 175.47  0.10 . 1 . . . A 50 LYS C   . 17810 1 
      299 . 1 1 50 50 LYS CA  C 13  55.59  0.08 . 1 . . . A 50 LYS CA  . 17810 1 
      300 . 1 1 50 50 LYS CB  C 13  28.03  0.08 . 1 . . . A 50 LYS CB  . 17810 1 
      301 . 1 1 50 50 LYS CG  C 13  24.39  0.11 . 1 . . . A 50 LYS CG  . 17810 1 
      302 . 1 1 50 50 LYS CD  C 13  28.29  0.20 . 1 . . . A 50 LYS CD  . 17810 1 
      303 . 1 1 50 50 LYS CE  C 13  43.33  0.09 . 1 . . . A 50 LYS CE  . 17810 1 
      304 . 1 1 50 50 LYS N   N 15 119.71  0.06 . 1 . . . A 50 LYS N   . 17810 1 
      305 . 1 1 50 50 LYS NZ  N 15  33.86  0.03 . 1 . . . A 50 LYS NZ  . 17810 1 
      306 . 1 1 51 51 THR C   C 13 174.44  0.07 . 1 . . . A 51 THR C   . 17810 1 
      307 . 1 1 51 51 THR CA  C 13  62.47  0.08 . 1 . . . A 51 THR CA  . 17810 1 
      308 . 1 1 51 51 THR CB  C 13  71.71  0.08 . 1 . . . A 51 THR CB  . 17810 1 
      309 . 1 1 51 51 THR CG2 C 13  21.29  0.08 . 1 . . . A 51 THR CG2 . 17810 1 
      310 . 1 1 51 51 THR N   N 15 112.00  0.04 . 1 . . . A 51 THR N   . 17810 1 
      311 . 1 1 52 52 PHE C   C 13 175.81  0.10 . 1 . . . A 52 PHE C   . 17810 1 
      312 . 1 1 52 52 PHE CA  C 13  56.58  0.08 . 1 . . . A 52 PHE CA  . 17810 1 
      313 . 1 1 52 52 PHE CB  C 13  43.06  0.17 . 1 . . . A 52 PHE CB  . 17810 1 
      314 . 1 1 52 52 PHE CG  C 13 140.02  0.17 . 1 . . . A 52 PHE CG  . 17810 1 
      315 . 1 1 52 52 PHE CD1 C 13 131.62  0.30 . 3 . . . A 52 PHE CD1 . 17810 1 
      316 . 1 1 52 52 PHE CD2 C 13 131.62  0.30 . 3 . . . A 52 PHE CD2 . 17810 1 
      317 . 1 1 52 52 PHE CE1 C 13 130.46  0.30 . 3 . . . A 52 PHE CE1 . 17810 1 
      318 . 1 1 52 52 PHE CE2 C 13 130.46  0.30 . 3 . . . A 52 PHE CE2 . 17810 1 
      319 . 1 1 52 52 PHE CZ  C 13 130.46  0.30 . 1 . . . A 52 PHE CZ  . 17810 1 
      320 . 1 1 52 52 PHE N   N 15 130.28  0.04 . 1 . . . A 52 PHE N   . 17810 1 
      321 . 1 1 53 53 THR C   C 13 172.25  0.06 . 1 . . . A 53 THR C   . 17810 1 
      322 . 1 1 53 53 THR CA  C 13  60.39  0.07 . 1 . . . A 53 THR CA  . 17810 1 
      323 . 1 1 53 53 THR CB  C 13  71.89  0.10 . 1 . . . A 53 THR CB  . 17810 1 
      324 . 1 1 53 53 THR CG2 C 13  21.10  0.10 . 1 . . . A 53 THR CG2 . 17810 1 
      325 . 1 1 53 53 THR N   N 15 112.21  0.06 . 1 . . . A 53 THR N   . 17810 1 
      326 . 1 1 54 54 VAL C   C 13 172.62  0.04 . 1 . . . A 54 VAL C   . 17810 1 
      327 . 1 1 54 54 VAL CA  C 13  58.48  0.07 . 1 . . . A 54 VAL CA  . 17810 1 
      328 . 1 1 54 54 VAL CB  C 13  32.72  0.08 . 1 . . . A 54 VAL CB  . 17810 1 
      329 . 1 1 54 54 VAL CG1 C 13  21.86  0.10 . 2 . . . A 54 VAL CG1 . 17810 1 
      330 . 1 1 54 54 VAL CG2 C 13  19.75  0.06 . 2 . . . A 54 VAL CG2 . 17810 1 
      331 . 1 1 54 54 VAL N   N 15 118.43  0.09 . 1 . . . A 54 VAL N   . 17810 1 
      332 . 1 1 55 55 THR C   C 13 174.17  0.05 . 1 . . . A 55 THR C   . 17810 1 
      333 . 1 1 55 55 THR CA  C 13  61.32  0.09 . 1 . . . A 55 THR CA  . 17810 1 
      334 . 1 1 55 55 THR CB  C 13  72.09  0.05 . 1 . . . A 55 THR CB  . 17810 1 
      335 . 1 1 55 55 THR CG2 C 13  21.51  0.05 . 1 . . . A 55 THR CG2 . 17810 1 
      336 . 1 1 55 55 THR N   N 15 124.10  0.05 . 1 . . . A 55 THR N   . 17810 1 
      337 . 1 1 56 56 GLU C   C 13 180.50  0.08 . 1 . . . A 56 GLU C   . 17810 1 
      338 . 1 1 56 56 GLU CA  C 13  57.56  0.04 . 1 . . . A 56 GLU CA  . 17810 1 
      339 . 1 1 56 56 GLU CB  C 13  33.31  0.06 . 1 . . . A 56 GLU CB  . 17810 1 
      340 . 1 1 56 56 GLU CG  C 13  38.81  0.06 . 1 . . . A 56 GLU CG  . 17810 1 
      341 . 1 1 56 56 GLU CD  C 13 183.20  0.09 . 1 . . . A 56 GLU CD  . 17810 1 
      342 . 1 1 56 56 GLU N   N 15 131.08  0.08 . 1 . . . A 56 GLU N   . 17810 1 

   stop_

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