data_6204


#######################
#  Entry information  #
#######################
save_entry_information
   _Entry.Sf_category                    entry_information
   _Entry.Sf_framecode                   entry_information
   _Entry.ID                             6204
   _Entry.Title
;
1H chemical shift assignments for AlaB12-DKP-insulin
;
   _Entry.Type                           macromolecule
   _Entry.Version_type                   original
   _Entry.Submission_date                2004-05-10
   _Entry.Accession_date                 2004-05-10
   _Entry.Last_release_date              2004-05-10
   _Entry.Original_release_date          2004-05-10
   _Entry.Origination                    author
   _Entry.Format_name                    .
   _Entry.NMR_STAR_version               3.2.0.16
   _Entry.Original_NMR_STAR_version      2.1
   _Entry.Experimental_method            NMR
   _Entry.Experimental_method_subtype    .
   _Entry.Source_data_format             .
   _Entry.Source_data_format_version     .
   _Entry.Generated_software_name        .
   _Entry.Generated_software_version     .
   _Entry.Generated_software_ID          .
   _Entry.Generated_software_label       .
   _Entry.Generated_date                 .
   _Entry.DOI                            .
   _Entry.UUID                           .
   _Entry.Related_coordinate_file_name   .
   _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.ORCID
      _Entry_author.Entry_ID

      1    K.   Huang         .   .    .   .   6204
      2    B.   Xu            .   .    .   .   6204
      3    S.   Hu            .   Q.   .   .   6204
      4    Y.   Chu           .   C.   .   .   6204
      5    Q.   Hua           .   X.   .   .   6204
      6    J.   Whittaker     .   .    .   .   6204
      7    S.   Nakagawa      .   H.   .   .   6204
      8    P.   DeMeyts       .   .    .   .   6204
      9    P.   Katsoyannis   .   G.   .   .   6204
      10   M.   Weiss         .   A.   .   .   6204
   stop_

   loop_
      _Data_set.Type
      _Data_set.Count
      _Data_set.Entry_ID

      assigned_chemical_shifts   4   6204
   stop_

   loop_
      _Datum.Type
      _Datum.Count
      _Datum.Entry_ID

      '1H chemical shifts'   654   6204
   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   .   .   2004-08-06   .   original   BMRB   .   6204
   stop_

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

      BMRB   6203   ThrB12-DKP-insulin   6204
      BMRB   6205   AbaB12-DKP-insulin   6204
   stop_
save_


###############
#  Citations  #
###############
save_entry_citation
   _Citation.Sf_category                  citations
   _Citation.Sf_framecode                 entry_citation
   _Citation.Entry_ID                     6204
   _Citation.ID                           1
   _Citation.Class                        'entry citation'
   _Citation.CAS_abstract_code            .
   _Citation.MEDLINE_UI_code              .
   _Citation.DOI                          .
   _Citation.PubMed_ID                    .
   _Citation.Full_citation                .
   _Citation.Title
;
How Insulin Binds: the B-Chain alpha-Helix Contacts the L1 beta -Helix of the 
Insulin Receptor.
;
   _Citation.Status                       published
   _Citation.Type                         journal
   _Citation.Journal_abbrev               'J. Mol. Biol.'
   _Citation.Journal_name_full            .
   _Citation.Journal_volume               341
   _Citation.Journal_issue                .
   _Citation.Journal_ASTM                 .
   _Citation.Journal_ISSN                 .
   _Citation.Journal_CSD                  .
   _Citation.Book_title                   .
   _Citation.Book_chapter_title           .
   _Citation.Book_volume                  .
   _Citation.Book_series                  .
   _Citation.Book_publisher               .
   _Citation.Book_publisher_city          .
   _Citation.Book_ISBN                    .
   _Citation.Conference_title             .
   _Citation.Conference_site              .
   _Citation.Conference_state_province    .
   _Citation.Conference_country           .
   _Citation.Conference_start_date        .
   _Citation.Conference_end_date          .
   _Citation.Conference_abstract_number   .
   _Citation.Thesis_institution           .
   _Citation.Thesis_institution_city      .
   _Citation.Thesis_institution_country   .
   _Citation.WWW_URL                      .
   _Citation.Page_first                   529
   _Citation.Page_last                    550
   _Citation.Year                         2004
   _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.ORCID
      _Citation_author.Entry_ID
      _Citation_author.Citation_ID

      1    K.   Huang         .   .    .   .   6204   1
      2    B.   Xu            .   .    .   .   6204   1
      3    S.   Hu            .   Q.   .   .   6204   1
      4    Y.   Chu           .   C.   .   .   6204   1
      5    Q.   Hua           .   X.   .   .   6204   1
      6    Y.   Qu            .   .    .   .   6204   1
      7    B.   Li            .   .    .   .   6204   1
      8    S.   Wang          .   .    .   .   6204   1
      9    R.   Wang          .   Y.   .   .   6204   1
      10   S.   Nakagawa      .   H.   .   .   6204   1
      11   A.   Theede        .   M.   .   .   6204   1
      12   J.   Whittaker     .   .    .   .   6204   1
      13   P.   'De Meyts'    .   .    .   .   6204   1
      14   P.   Katsoyannis   .   G.   .   .   6204   1
      15   M.   Weiss         .   A.   .   .   6204   1
   stop_

   loop_
      _Citation_keyword.Keyword
      _Citation_keyword.Entry_ID
      _Citation_keyword.Citation_ID

      Ala-B12-DKP-insulin   6204   1
      'insulin receptor'    6204   1
      'protein unfolding'   6204   1
      'receptor binding'    6204   1
   stop_
save_


#############################################
#  Molecular system (assembly) description  #
#############################################
save_DKP-HI
   _Assembly.Sf_category                       assembly
   _Assembly.Sf_framecode                      DKP-HI
   _Assembly.Entry_ID                          6204
   _Assembly.ID                                1
   _Assembly.Name                              'insulin analogue'
   _Assembly.BMRB_code                         .
   _Assembly.Number_of_components              .
   _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                       'all disulfide bound'
   _Assembly.Molecular_mass                    .
   _Assembly.Enzyme_commission_number          .
   _Assembly.Details                           .
   _Assembly.DB_query_date                     .
   _Assembly.DB_query_revised_last_date        .

   loop_
      _Assembly_type.Type
      _Assembly_type.Entry_ID
      _Assembly_type.Assembly_ID

      monomer   6204   1
   stop_

   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   'insulin analogue chain A'   1   $DKP_HI_A   .   .   .   native   .   .   .   .   .   6204   1
      2   'insulin analogue chain B'   2   $DKP_HI_B   .   .   .   native   .   .   .   .   .   6204   1
   stop_

   loop_
      _Bond.ID
      _Bond.Type
      _Bond.Value_order
      _Bond.Assembly_atom_ID_1
      _Bond.Entity_assembly_ID_1
      _Bond.Entity_assembly_name_1
      _Bond.Entity_ID_1
      _Bond.Comp_ID_1
      _Bond.Comp_index_ID_1
      _Bond.Seq_ID_1
      _Bond.Atom_ID_1
      _Bond.Assembly_atom_ID_2
      _Bond.Entity_assembly_ID_2
      _Bond.Entity_assembly_name_2
      _Bond.Entity_ID_2
      _Bond.Comp_ID_2
      _Bond.Comp_index_ID_2
      _Bond.Seq_ID_2
      _Bond.Atom_ID_2
      _Bond.Auth_entity_assembly_ID_1
      _Bond.Auth_entity_assembly_name_1
      _Bond.Auth_asym_ID_1
      _Bond.Auth_seq_ID_1
      _Bond.Auth_comp_ID_1
      _Bond.Auth_atom_ID_1
      _Bond.Auth_entity_assembly_ID_2
      _Bond.Auth_entity_assembly_name_2
      _Bond.Auth_asym_ID_2
      _Bond.Auth_seq_ID_2
      _Bond.Auth_comp_ID_2
      _Bond.Auth_atom_ID_2
      _Bond.Entry_ID
      _Bond.Assembly_ID

      1   disulfide   single   .   1   .   1   CYS   6    6    SG   .   1   .   1   CYS   11   11   SG   .   .   .   .   .   .   .   .   .   .   .   .   6204   1
      2   disulfide   single   .   1   .   1   CYS   7    7    SG   .   2   .   2   CYS   7    7    SG   .   .   .   .   .   .   .   .   .   .   .   .   6204   1
      3   disulfide   single   .   1   .   1   CYS   20   20   SG   .   2   .   2   CYS   19   19   SG   .   .   .   .   .   .   .   .   .   .   .   .   6204   1
   stop_

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

      yes   PDB   1T1K   .   .   .   .   .   .   6204   1
   stop_

   loop_
      _Assembly_common_name.Name
      _Assembly_common_name.Type
      _Assembly_common_name.Entry_ID
      _Assembly_common_name.Assembly_ID

      DKP-HI               abbreviation   6204   1
      'insulin analogue'   system         6204   1
   stop_
save_


    ####################################
    #  Biological polymers and ligands #
    ####################################
save_DKP_HI_A
   _Entity.Sf_category                       entity
   _Entity.Sf_framecode                      DKP_HI_A
   _Entity.Entry_ID                          6204
   _Entity.ID                                1
   _Entity.BMRB_code                         .
   _Entity.Name                              'AlaB12-DKP-insulin, chain A'
   _Entity.Type                              polymer
   _Entity.Polymer_common_type               .
   _Entity.Polymer_type                      polypeptide(L)
   _Entity.Polymer_type_details              .
   _Entity.Polymer_strand_ID                 .
   _Entity.Polymer_seq_one_letter_code_can   .
   _Entity.Polymer_seq_one_letter_code
;
GIVEQCCTSICSLYQLENYC
N
;
   _Entity.Target_identifier                 .
   _Entity.Polymer_author_defined_seq        .
   _Entity.Polymer_author_seq_details        .
   _Entity.Ambiguous_conformational_states   .
   _Entity.Ambiguous_chem_comp_sites         .
   _Entity.Nstd_monomer                      .
   _Entity.Nstd_chirality                    .
   _Entity.Nstd_linkage                      .
   _Entity.Nonpolymer_comp_ID                .
   _Entity.Nonpolymer_comp_label             .
   _Entity.Number_of_monomers                21
   _Entity.Number_of_nonpolymer_components   .
   _Entity.Paramagnetic                      .
   _Entity.Thiol_state                       'all disulfide bound'
   _Entity.Src_method                        .
   _Entity.Parent_entity_ID                  .
   _Entity.Fragment                          .
   _Entity.Mutation                          .
   _Entity.EC_number                         .
   _Entity.Calc_isoelectric_point            .
   _Entity.Formula_weight                    .
   _Entity.Formula_weight_exptl              .
   _Entity.Formula_weight_exptl_meth         .
   _Entity.Details                           .
   _Entity.DB_query_date                     2008-08-19
   _Entity.DB_query_revised_last_date        2008-08-19

   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

      .   .   BMRB         1000           .   'insulin A chain'                                                                                                                    .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   BMRB         1002           .   'insulin A chain'                                                                                                                    .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   BMRB         1004           .   'insulin A chain'                                                                                                                    .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   BMRB         1006           .   'insulin A chain'                                                                                                                    .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   BMRB         1008           .   'insulin A chain'                                                                                                                    .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   BMRB         1010           .   'insulin A chain'                                                                                                                    .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   BMRB         1012           .   'insulin A chain'                                                                                                                    .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   BMRB         1014           .   'insulin A chain'                                                                                                                    .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   BMRB         1016           .   'insulin A chain'                                                                                                                    .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   BMRB         1018           .   'insulin A chain'                                                                                                                    .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   BMRB         1020           .   'insulin A chain'                                                                                                                    .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   BMRB         1022           .   'insulin A chain'                                                                                                                    .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   BMRB         1023           .   'insulin B chain'                                                                                                                    .   .   .   .   .   95.24    42    100.00   100.00   1.97e-02   .   .   .   .   6204   1
      .   .   BMRB         11016          .   'Chain A'                                                                                                                            .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   BMRB         1344           .   'insulin A chain'                                                                                                                    .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   BMRB         15464          .   entity_1                                                                                                                             .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   BMRB         1585           .   'insulin A chain'                                                                                                                    .   .   .   .   .   95.24    20    100.00   100.00   2.46e-02   .   .   .   .   6204   1
      .   .   BMRB         1587           .   'insulin A chain'                                                                                                                    .   .   .   .   .   95.24    20    100.00   100.00   2.46e-02   .   .   .   .   6204   1
      .   .   BMRB         1632           .   'insulin A chain'                                                                                                                    .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   BMRB         1761           .   'insulin A chain'                                                                                                                    .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   BMRB         4266           .   [D-AlaB26]destetra(B27-B30)insulin-B26-amide                                                                                         .   .   .   .   .   100.00   47    100.00   100.00   3.04e-03   .   .   .   .   6204   1
      .   .   BMRB         4997           .   Insulin                                                                                                                              .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   BMRB         554            .   'insulin A chain'                                                                                                                    .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   BMRB         556            .   'insulin A chain'                                                                                                                    .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   BMRB         6203           .   'ThrB12-DKP-insulin, chain A'                                                                                                        .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   BMRB         6205           .   'AbaB12-DKP-insulin, chain A'                                                                                                        .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   BMRB         936            .   'insulin A chain'                                                                                                                    .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   BMRB         994            .   'insulin A chain'                                                                                                                    .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   BMRB         996            .   'insulin A chain'                                                                                                                    .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   BMRB         998            .   'insulin A chain'                                                                                                                    .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          1A7F           .   'Insulin Mutant B16 Glu, B24 Gly, Des-B30, Nmr, 20 Structures'                                                                       .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          1AI0           .   'R6 Human Insulin Hexamer (Non-Symmetric), Nmr, 10 Structures'                                                                       .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          1AIY           .   'R6 Human Insulin Hexamer (Symmetric), Nmr, 10 Structures'                                                                           .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          1B17           .   'Ph Affects Glu B13 Switching And Sulfate Binding In Cubic Insulin Crystals (Ph 5.00 Coordinates)'                                   .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          1B18           .   'Ph Affects Glu B13 Switching And Sulfate Binding In Cubic Insulin Crystals (Ph 5.53 Coordinates)'                                   .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          1B19           .   'Ph Affects Glu B13 Switching And Sulfate Binding In Cubic Insulin Crystals (Ph 5.80 Coordinates)'                                   .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          1B2A           .   'Ph Affects Glu B13 Switching And Sulfate Binding In Cubic Insulin Crystals (Ph 6.00 Coordinates)'                                   .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          1B2B           .   'Ph Affects Glu B13 Switching And Sulfate Binding In Cubic Insulin Crystals (Ph 6.16 Coordinates)'                                   .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          1B2C           .   'Ph Affects Glu B13 Switching And Sulfate Binding In Cubic Insulin Crystals (Ph 6.26 Coordinates)'                                   .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          1B2D           .   'Ph Affects Glu B13 Switching And Sulfate Binding In Cubic Insulin Crystals (Ph 6.35 Coordinates)'                                   .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          1B2E           .   'Ph Affects Glu B13 Switching And Sulfate Binding In Cubic Insulin Crystals (Ph 6.50 Coordinates)'                                   .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          1B2F           .   'Ph Affects Glu B13 Switching And Sulfate Binding In Cubic Insulin Crystals (Ph 6.98 Coordinates)'                                   .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          1B2G           .   'Ph Affects Glu B13 Switching And Sulfate Binding In Cubic Insulin Crystals (Ph 9.00 Coordinates)'                                   .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          1B9E           .   'Human Insulin Mutant Serb9glu'                                                                                                      .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          1BEN           .   'Insulin Complexed With 4-Hydroxybenzamide'                                                                                          .   .   .   .   .   95.24    21    100.00   100.00   2.46e-02   .   .   .   .   6204   1
      .   .   PDB          1BZV           .   '[d-Alab26]-Des(B27-B30)-Insulin-B26-Amide A Superpotent Single-Replacement Insulin Analogue, Nmr, Minimized Average Structure'      .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          1DEI           .   'Desheptapeptide (B24-B30) Insulin'                                                                                                  .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          1EFE           .   'An Active Mini-Proinsulin, M2pi'                                                                                                    .   .   .   .   .   100.00   60    100.00   100.00   2.27e-03   .   .   .   .   6204   1
      .   .   PDB          1EV3           .   'Structure Of The Rhombohedral Form Of The M-CresolINSULIN R6 Hexamer'                                                               .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          1EV6           .   'Structure Of The Monoclinic Form Of The M-CresolINSULIN R6 Hexamer'                                                                 .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          1EVR           .   'The Structure Of The ResorcinolINSULIN R6 HEXAMER'                                                                                  .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          1FU2           .   'First Protein Structure Determined From X-Ray Powder Diffraction Data'                                                              .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          1FUB           .   'First Protein Structure Determined From X-Ray Powder Diffraction Data'                                                              .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          1G7A           .   '1.2 A Structure Of T3r3 Human Insulin At 100 K'                                                                                     .   .   .   .   .   95.24    21    100.00   100.00   2.46e-02   .   .   .   .   6204   1
      .   .   PDB          1GUJ           .   'Insulin At Ph 2: Structural Analysis Of The Conditions Promoting Insulin Fibre Formation.'                                          .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          1HIQ           .   'Paradoxical Structure And Function In A Mutant Human Insulin Associated With Diabetes Mellitus'                                     .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          1HIS           .   'Structure And Dynamics Of Des-Pentapeptide-Insulin In Solution: The Molten-Globule Hypothesis'                                      .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          1HIT           .   'Receptor Binding Redefined By A Structural Switch In A Mutant Human Insulin'                                                        .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          1HLS           .   'Nmr Structure Of The Human Insulin-His(B16)'                                                                                        .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          1HTV           .   'Crystal Structure Of Destripeptide (B28-B30) Insulin'                                                                               .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          1HUI           .   'Insulin Mutant (B1, B10, B16, B27)glu, Des-B30, Nmr, 25 Structures'                                                                 .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          1IZA           .   'Role Of B13 Glu In Insulin Assembly: The Hexamer Structure Of Recombinant Mutant (B13 Glu-> Gln) Insulin'                           .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          1IZB           .   'Role Of B13 Glu In Insulin Assembly: The Hexamer Structure Of Recombinant Mutant (B13 Glu-> Gln) Insulin'                           .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          1JCO           .   'Solution Structure Of The Monomeric [thr(B27)->pro,Pro(B28)- >thr] Insulin Mutant (Pt Insulin)'                                     .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          1LPH           .   'Lys(B28)pro(B29)-Human Insulin'                                                                                                     .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          1M5A           .   'Crystal Structure Of 2-Co(2+)-Insulin At 1.2a Resolution'                                                                           .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          1MHJ           .   
;
Solution Structure Of The Superactive Monomeric Des- [phe(B25)] Human Insulin Mutant. Elucidation Of The Structural Basis For The Monomerization Of The Des- [phe(B25)] Insulin And The Dimerization Of Native Insulin
;
                                                                                                                                                                                   .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          1MPJ           .   
;
X-Ray Crystallographic Studies On Hexameric Insulins In The Presence Of Helix-Stabilizing Agents, Thiocyanate, Methylparaben And Phenol
;
                                                                                                                                                                                   .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          1OS3           .   'Dehydrated T6 Human Insulin At 100 K'                                                                                               .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          1OS4           .   'Dehydrated T6 Human Insulin At 295 K'                                                                                               .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          1QIY           .   'Human Insulin Hexamers With Chain B His Mutated To Tyr Complexed With Phenol'                                                       .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          1QIZ           .   'Human Insulin Hexamers With Chain B His Mutated To Tyr Complexed With Resorcinol'                                                   .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          1QJ0           .   'Human Insulin Hexamers With Chain B His Mutated To Tyr'                                                                             .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          1SDB           .   'Porcine Desb1-2 Despentapeptide(B26-B30) Insulin'                                                                                   .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          1SF1           .   'Nmr Structure Of Human Insulin Under Amyloidogenic Condition, 15 Structures'                                                        .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          1SJT           .   'Mini-Proinsulin, Two Chain Insulin Analog Mutant: Des B30, His(B 10)asp, Pro(B 28)asp, Nmr, 20 Structures'                          .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          1SJU           .   
;
Mini-Proinsulin, Single Chain Insulin Analog Mutant: Des B30, His(B 10)asp, Pro(B 28)asp And Peptide Bond Between Lys B 29 And Gly A 1, Nmr, 20 Structures
;
                                                                                                                                                                                   .   .   .   .   .   100.00   50    100.00   100.00   3.11e-03   .   .   .   .   6204   1
      .   .   PDB          1T1K           .   'Nmr Structure Of Human Insulin Mutant His-B10-Asp, Val-B12- Ala, Pro-B28-Lys, Lys-B29-Pro, 15 Structures'                           .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          1T1P           .   'Nmr Structure Of Human Insulin Mutant His-B10-Asp, Val-B12- Thr, Pro-B28-Lys, Lys-B29-Pro, 15 Structures'                           .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          1T1Q           .   'Nmr Structure Of Human Insulin Mutant His-B10-Asp, Val-B12- Aba, Pro-B28-Lys, Lys-B29-Pro, 15 Structures'                           .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          1TRZ           .   'Crystallographic Evidence For Dual Coordination Around Zinc In The T3r3 Human Insulin Hexamer'                                      .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          1TYL           .   "The Structure Of A Complex Of Hexameric Insulin And 4'- Hydroxyacetanilide"                                                         .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          1TYM           .   "The Structure Of A Complex Of Hexameric Insulin And 4'- Hydroxyacetanilide"                                                         .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          1UZ9           .   'Crystallographic And Solution Studies Of N-Lithocholyl Insulin: A New Generation Of Prolonged-Acting Insulins.'                     .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          1W8P           .   'Structural Properties Of The B25tyr-Nme-B26phe Insulin Mutant.'                                                                     .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          1WAV           .   'Crystal Structure Of Form B Monoclinic Crystal Of Insulin'                                                                          .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          1XDA           .   'Structure Of Insulin'                                                                                                               .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          1XGL           .   'Human Insulin Disulfide Isomer, Nmr, 10 Structures'                                                                                 .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          1ZEG           .   'Structure Of B28 Asp Insulin In Complex With Phenol'                                                                                .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          1ZEH           .   'Structure Of Insulin'                                                                                                               .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          1ZEI           .   'Cross-Linked B28 Asp Insulin'                                                                                                       .   .   .   .   .   100.00   53    100.00   100.00   2.36e-03   .   .   .   .   6204   1
      .   .   PDB          1ZNI           .   Insulin                                                                                                                              .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          1ZNJ           .   'Insulin, Monoclinic Crystal Form'                                                                                                   .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          2AIY           .   'R6 Human Insulin Hexamer (Symmetric), Nmr, 20 Structures'                                                                           .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          2C8Q           .   'Insuline(1sec) And Uv Laser Excited Fluorescence'                                                                                   .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          2C8R           .   'Insuline(60sec) And Uv Laser Excited Fluorescence'                                                                                  .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          2CEU           .   'Despentapeptide Insulin In Acetic Acid (Ph 2)'                                                                                      .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          2G4M           .   'Insulin Collected At 2.0 A Wavelength'                                                                                              .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          2H67           .   'Nmr Structure Of Human Insulin Mutant His-B5-Ala, His-B10- Asp Pro-B28-Lys, Lys-B29-Pro, 20 Structures'                             .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          2HH4           .   'Nmr Structure Of Human Insulin Mutant Gly-B8-D-Ser, His-B10- Asp Pro-B28-Lys, Lys-B29-Pro, 20 Structures'                           .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          2HHO           .   'Nmr Structure Of Human Insulin Mutant Gly-B8-Ser, His-B10- Asp Pro-B28-Lys, Lys-B29-Pro, 20 Structures'                             .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          2HIU           .   'Nmr Structure Of Human Insulin In 20% Acetic Acid, Zinc- Free, 10 Structures'                                                       .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          2JMN           .   'Nmr Structure Of Human Insulin Mutant His-B10-Asp, Pro-B28- Lys, Lys-B29-Pro, 20 Structures'                                        .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          2JV1           .   'Nmr Structure Of Human Insulin Monomer In 35% Cd3cn Zinc Free, 50 Structures'                                                       .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          2OLY           .   'Structure Of Human Insulin In Presence Of Urea At Ph 7.0'                                                                           .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          2OLZ           .   'Structure Of Human Insulin In Presence Of Thiocyanate At Ph 7.0'                                                                    .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          2OM0           .   'Structure Of Human Insulin In Presence Of Urea At Ph 6.5'                                                                           .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          2OM1           .   'Structure Of Human Insulin In Presence Of Thiocyanate At Ph 6.5'                                                                    .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          2OMG           .   'Structure Of Human Insulin Cocrystallized With Protamine And Urea'                                                                  .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          2OMH           .   'Structure Of Human Insulin Cocrystallized With Arg-12 Peptide In Presence Of Urea'                                                  .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          2OMI           .   'Structure Of Human Insulin Cocrystallized With Protamine'                                                                           .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          2QIU           .   'Structure Of Human Arg-Insulin'                                                                                                     .   .   .   .   .   100.00   22    100.00   100.00   4.10e-03   .   .   .   .   6204   1
      .   .   PDB          2TCI           .   
;
X-Ray Crystallographic Studies On Hexameric Insulins In The Presence Of Helix-Stabilizing Agents, Thiocyanate, Methylparaben And Phenol
;
                                                                                                                                                                                   .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          3AIY           .   'R6 Human Insulin Hexamer (Symmetric), Nmr, Refined Average Structure'                                                               .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          3BXQ           .   'The Structure Of A Mutant Insulin Uncouples Receptor Binding From Protein Allostery. An Electrostatic Block To The Tr Transition'   .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          3MTH           .   
;
X-Ray Crystallographic Studies On Hexameric Insulins In The Presence Of Helix-Stabilizing Agents, Thiocyanate, Methylparaben And Phenol
;
                                                                                                                                                                                   .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          4AIY           .   "R6 Human Insulin Hexamer (Symmetric), Nmr, 'green' Substate, Average Structure"                                                     .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          4INS           .   'The Structure Of 2zn Pig Insulin Crystals At 1.5 Angstroms Resolution'                                                              .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          5AIY           .   "R6 Human Insulin Hexamer (Symmetric), Nmr, 'red' Substate, Average Structure"                                                       .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          6INS           .   'X-Ray Analysis Of The Single Chain B29-A1 Peptide-Linked Insulin Molecule. A Completely Inactive Analogue'                          .   .   .   .   .   100.00   50    100.00   100.00   3.11e-03   .   .   .   .   6204   1
      .   .   PDB          7INS           .   'Structure Of Porcine Insulin Cocrystallized With Clupeine Z'                                                                        .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PDB          9INS           .   'Monovalent Cation Binding In Cubic Insulin Crystals'                                                                                .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   EMBL         CAA23424       .   'unnamed protein product [synthetic construct]'                                                                                      .   .   .   .   .   100.00   87    100.00   100.00   1.29e-03   .   .   .   .   6204   1
      .   .   EMBL         CAA23475       .   'preproinsulin [Canis sp.]'                                                                                                          .   .   .   .   .   100.00   110   100.00   100.00   8.40e-04   .   .   .   .   6204   1
      .   .   EMBL         CAA23828       .   'preproinsulin [Homo sapiens]'                                                                                                       .   .   .   .   .   100.00   110   100.00   100.00   1.16e-03   .   .   .   .   6204   1
      .   .   EMBL         CAA43403       .   'Preproinsulin [Pan troglodytes]'                                                                                                    .   .   .   .   .   100.00   110   100.00   100.00   7.79e-04   .   .   .   .   6204   1
      .   .   EMBL         CAA43405       .   'Preproinsulin [Chlorocebus aethiops]'                                                                                               .   .   .   .   .   100.00   110   100.00   100.00   8.40e-04   .   .   .   .   6204   1
      .   .   GenBank      AAA17540       .   insulin                                                                                                                              .   .   .   .   .   100.00   55    100.00   100.00   1.35e-03   .   .   .   .   6204   1
      .   .   GenBank      AAA19033       .   insulin                                                                                                                              .   .   .   .   .   100.00   110   100.00   100.00   8.33e-04   .   .   .   .   6204   1
      .   .   GenBank      AAA36849       .   preproinsulin                                                                                                                        .   .   .   .   .   100.00   110   100.00   100.00   7.99e-04   .   .   .   .   6204   1
      .   .   GenBank      AAA59172       .   'insulin [Homo sapiens]'                                                                                                             .   .   .   .   .   100.00   110   100.00   100.00   1.16e-03   .   .   .   .   6204   1
      .   .   GenBank      AAA59173       .   'insulin [Homo sapiens]'                                                                                                             .   .   .   .   .   100.00   110   100.00   100.00   1.16e-03   .   .   .   .   6204   1
      .   .   PRF          0601246A       .   insulin,prepro                                                                                                                       .   .   .   .   .   100.00   110   100.00   100.00   1.16e-03   .   .   .   .   6204   1
      .   .   PRF          1006230A       .   insulin,pro-                                                                                                                         .   .   .   .   .   100.00   86    100.00   100.00   1.29e-03   .   .   .   .   6204   1
      .   .   PRF          550086A        .   insulin                                                                                                                              .   .   .   .   .   100.00   51    100.00   100.00   2.86e-03   .   .   .   .   6204   1
      .   .   PRF          560164B        .   insulin                                                                                                                              .   .   .   .   .   100.00   21    100.00   100.00   4.53e-03   .   .   .   .   6204   1
      .   .   PRF          580107B        .   insulin                                                                                                                              .   .   .   .   .   100.00   50    100.00   100.00   2.77e-03   .   .   .   .   6204   1
      .   .   REF          NP_000198      .   'proinsulin precursor [Homo sapiens]'                                                                                                .   .   .   .   .   100.00   110   100.00   100.00   1.16e-03   .   .   .   .   6204   1
      .   .   REF          NP_001008996   .   'proinsulin precursor [Pan troglodytes]'                                                                                             .   .   .   .   .   100.00   110   100.00   100.00   7.79e-04   .   .   .   .   6204   1
      .   .   REF          NP_001075804   .   'insulin [Oryctolagus cuniculus]'                                                                                                    .   .   .   .   .   100.00   110   100.00   100.00   8.33e-04   .   .   .   .   6204   1
      .   .   REF          NP_001103242   .   'insulin [Sus scrofa]'                                                                                                               .   .   .   .   .   100.00   108   100.00   100.00   1.13e-03   .   .   .   .   6204   1
      .   .   REF          NP_001123565   .   'proinsulin [Canis lupus familiaris]'                                                                                                .   .   .   .   .   100.00   110   100.00   100.00   8.40e-04   .   .   .   .   6204   1
      .   .   SWISS-PROT   P01308         .   'Insulin precursor [Contains: Insulin B chain; Insulin A chain]'                                                                     .   .   .   .   .   100.00   110   100.00   100.00   1.16e-03   .   .   .   .   6204   1
      .   .   SWISS-PROT   P01311         .   'Insulin precursor [Contains: Insulin B chain; Insulin A chain]'                                                                     .   .   .   .   .   100.00   110   100.00   100.00   8.33e-04   .   .   .   .   6204   1
      .   .   SWISS-PROT   P01315         .   'Insulin precursor [Contains: Insulin B chain; Insulin A chain]'                                                                     .   .   .   .   .   100.00   108   100.00   100.00   1.13e-03   .   .   .   .   6204   1
      .   .   SWISS-PROT   P01321         .   'Insulin precursor [Contains: Insulin B chain; Insulin A chain]'                                                                     .   .   .   .   .   100.00   110   100.00   100.00   8.40e-04   .   .   .   .   6204   1
      .   .   SWISS-PROT   P30406         .   'Insulin precursor [Contains: Insulin B chain; Insulin A chain]'                                                                     .   .   .   .   .   100.00   110   100.00   100.00   7.99e-04   .   .   .   .   6204   1
   stop_

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

      'Ala-B12-Val, Asp-B10-His, Lys-B28-Pro, Pro-B29-Lys insulin'   variant        6204   1
      'AlaB12-DKP-insulin, chain A'                                  common         6204   1
      DKP_HI_A                                                       abbreviation   6204   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    .   GLY   .   6204   1
      2    .   ILE   .   6204   1
      3    .   VAL   .   6204   1
      4    .   GLU   .   6204   1
      5    .   GLN   .   6204   1
      6    .   CYS   .   6204   1
      7    .   CYS   .   6204   1
      8    .   THR   .   6204   1
      9    .   SER   .   6204   1
      10   .   ILE   .   6204   1
      11   .   CYS   .   6204   1
      12   .   SER   .   6204   1
      13   .   LEU   .   6204   1
      14   .   TYR   .   6204   1
      15   .   GLN   .   6204   1
      16   .   LEU   .   6204   1
      17   .   GLU   .   6204   1
      18   .   ASN   .   6204   1
      19   .   TYR   .   6204   1
      20   .   CYS   .   6204   1
      21   .   ASN   .   6204   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

      .   GLY   1    1    6204   1
      .   ILE   2    2    6204   1
      .   VAL   3    3    6204   1
      .   GLU   4    4    6204   1
      .   GLN   5    5    6204   1
      .   CYS   6    6    6204   1
      .   CYS   7    7    6204   1
      .   THR   8    8    6204   1
      .   SER   9    9    6204   1
      .   ILE   10   10   6204   1
      .   CYS   11   11   6204   1
      .   SER   12   12   6204   1
      .   LEU   13   13   6204   1
      .   TYR   14   14   6204   1
      .   GLN   15   15   6204   1
      .   LEU   16   16   6204   1
      .   GLU   17   17   6204   1
      .   ASN   18   18   6204   1
      .   TYR   19   19   6204   1
      .   CYS   20   20   6204   1
      .   ASN   21   21   6204   1
   stop_
save_

save_DKP_HI_B
   _Entity.Sf_category                       entity
   _Entity.Sf_framecode                      DKP_HI_B
   _Entity.Entry_ID                          6204
   _Entity.ID                                2
   _Entity.BMRB_code                         .
   _Entity.Name                              'AlaB12-DKP-insulin, chain B'
   _Entity.Type                              polymer
   _Entity.Polymer_common_type               .
   _Entity.Polymer_type                      polypeptide(L)
   _Entity.Polymer_type_details              .
   _Entity.Polymer_strand_ID                 .
   _Entity.Polymer_seq_one_letter_code_can   .
   _Entity.Polymer_seq_one_letter_code
;
FVNQHLCGSDLAEALYLVCG
ERGFFYTKPT
;
   _Entity.Target_identifier                 .
   _Entity.Polymer_author_defined_seq        .
   _Entity.Polymer_author_seq_details        .
   _Entity.Ambiguous_conformational_states   .
   _Entity.Ambiguous_chem_comp_sites         .
   _Entity.Nstd_monomer                      .
   _Entity.Nstd_chirality                    .
   _Entity.Nstd_linkage                      .
   _Entity.Nonpolymer_comp_ID                .
   _Entity.Nonpolymer_comp_label             .
   _Entity.Number_of_monomers                30
   _Entity.Number_of_nonpolymer_components   .
   _Entity.Paramagnetic                      .
   _Entity.Thiol_state                       'all disulfide bound'
   _Entity.Src_method                        .
   _Entity.Parent_entity_ID                  .
   _Entity.Fragment                          .
   _Entity.Mutation                          .
   _Entity.EC_number                         .
   _Entity.Calc_isoelectric_point            .
   _Entity.Formula_weight                    .
   _Entity.Formula_weight_exptl              .
   _Entity.Formula_weight_exptl_meth         .
   _Entity.Details                           .
   _Entity.DB_query_date                     2008-08-19
   _Entity.DB_query_revised_last_date        2008-08-19

   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

      .   no   PDB   1T1K   .   'Nmr Structure Of Human Insulin Mutant His-B10-Asp, Val-B12- Ala, Pro-B28-Lys, Lys-B29-Pro, 15 Structures'   .   .   .   .   .   100.00   30   100.00   100.00   1.48e-09   .   .   .   .   6204   2
   stop_

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

      'AlaB12-DKP-insulin, chain B'                                  common         6204   2
      DKP_HI_B                                                       abbreviation   6204   2
      'Thr-B12-Val, Asp-B10-His, Lys-B28-Pro, Pro-B29-Lys insulin'   variant        6204   2
   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    .   PHE   .   6204   2
      2    .   VAL   .   6204   2
      3    .   ASN   .   6204   2
      4    .   GLN   .   6204   2
      5    .   HIS   .   6204   2
      6    .   LEU   .   6204   2
      7    .   CYS   .   6204   2
      8    .   GLY   .   6204   2
      9    .   SER   .   6204   2
      10   .   ASP   .   6204   2
      11   .   LEU   .   6204   2
      12   .   ALA   .   6204   2
      13   .   GLU   .   6204   2
      14   .   ALA   .   6204   2
      15   .   LEU   .   6204   2
      16   .   TYR   .   6204   2
      17   .   LEU   .   6204   2
      18   .   VAL   .   6204   2
      19   .   CYS   .   6204   2
      20   .   GLY   .   6204   2
      21   .   GLU   .   6204   2
      22   .   ARG   .   6204   2
      23   .   GLY   .   6204   2
      24   .   PHE   .   6204   2
      25   .   PHE   .   6204   2
      26   .   TYR   .   6204   2
      27   .   THR   .   6204   2
      28   .   LYS   .   6204   2
      29   .   PRO   .   6204   2
      30   .   THR   .   6204   2
   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

      .   PHE   1    1    6204   2
      .   VAL   2    2    6204   2
      .   ASN   3    3    6204   2
      .   GLN   4    4    6204   2
      .   HIS   5    5    6204   2
      .   LEU   6    6    6204   2
      .   CYS   7    7    6204   2
      .   GLY   8    8    6204   2
      .   SER   9    9    6204   2
      .   ASP   10   10   6204   2
      .   LEU   11   11   6204   2
      .   ALA   12   12   6204   2
      .   GLU   13   13   6204   2
      .   ALA   14   14   6204   2
      .   LEU   15   15   6204   2
      .   TYR   16   16   6204   2
      .   LEU   17   17   6204   2
      .   VAL   18   18   6204   2
      .   CYS   19   19   6204   2
      .   GLY   20   20   6204   2
      .   GLU   21   21   6204   2
      .   ARG   22   22   6204   2
      .   GLY   23   23   6204   2
      .   PHE   24   24   6204   2
      .   PHE   25   25   6204   2
      .   TYR   26   26   6204   2
      .   THR   27   27   6204   2
      .   LYS   28   28   6204   2
      .   PRO   29   29   6204   2
      .   THR   30   30   6204   2
   stop_
save_


    ####################
    #  Natural source  #
    ####################
save_natural_source
   _Entity_natural_src_list.Sf_category    natural_source
   _Entity_natural_src_list.Sf_framecode   natural_source
   _Entity_natural_src_list.Entry_ID       6204
   _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.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.Secretion
      _Entity_natural_src.Plasmid
      _Entity_natural_src.Gene_mnemonic
      _Entity_natural_src.Details
      _Entity_natural_src.Entry_ID
      _Entity_natural_src.Entity_natural_src_list_ID

      1   1   $DKP_HI_A   .   Human   .   .   'Homo sapiens'   9606   .   .   Eukaryota   Metazoa   Homo   sapiens   .   .   .   .   .   .   .   .   .   .   .   .   .   6204   1
      2   2   $DKP_HI_B   .   Human   .   .   'Homo sapiens'   9606   .   .   Eukaryota   Metazoa   Homo   sapiens   .   .   .   .   .   .   .   .   .   .   .   .   .   6204   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       6204
   _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_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.Details
      _Entity_experimental_src.Entry_ID
      _Entity_experimental_src.Entity_experimental_src_list_ID

      1   1   $DKP_HI_A   .   'chemical synthesis'   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   6204   1
      2   2   $DKP_HI_B   .   'chemical synthesis'   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   6204   1
   stop_
save_


#####################################
#  Sample contents and methodology  #
#####################################
	 
    ########################
    #  Sample description  #
    ########################
save_sample_1
   _Sample.Sf_category                      sample
   _Sample.Sf_framecode                     sample_1
   _Sample.Entry_ID                         6204
   _Sample.ID                               1
   _Sample.Type                             solution
   _Sample.Sub_type                         .
   _Sample.Details                          .
   _Sample.Aggregate_sample_number          .
   _Sample.Solvent_system                   .
   _Sample.Preparation_date                 .
   _Sample.Preparation_expiration_date      .
   _Sample.Polycrystallization_protocol     .
   _Sample.Single_crystal_protocol          .
   _Sample.Crystal_grow_apparatus           .
   _Sample.Crystal_grow_atmosphere          .
   _Sample.Crystal_grow_details             .
   _Sample.Crystal_grow_method              .
   _Sample.Crystal_grow_method_cit_ID       .
   _Sample.Crystal_grow_pH                  .
   _Sample.Crystal_grow_pH_range            .
   _Sample.Crystal_grow_pressure            .
   _Sample.Crystal_grow_pressure_esd        .
   _Sample.Crystal_grow_seeding             .
   _Sample.Crystal_grow_seeding_cit_ID      .
   _Sample.Crystal_grow_temp                .
   _Sample.Crystal_grow_temp_details        .
   _Sample.Crystal_grow_temp_esd            .
   _Sample.Crystal_grow_time                .
   _Sample.Oriented_sample_prep_protocol    .
   _Sample.Lyophilization_cryo_protectant   .
   _Sample.Storage_protocol                 .

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

      1   'AlaB12-DKP-insulin, chain A'   .   .   .   1   $DKP_HI_A   .   .   1.2   .   .   mM   .   .   .   .   6204   1
      2   'AlaB12-DKP-insulin, chain B'   .   .   .   2   $DKP_HI_B   .   .   1.2   .   .   mM   .   .   .   .   6204   1
      3   H2O                             .   .   .   .   .           .   .   90    .   .   %    .   .   .   .   6204   1
      4   D2O                             .   .   .   .   .           .   .   10    .   .   %    .   .   .   .   6204   1
   stop_
save_

save_sample_2
   _Sample.Sf_category                      sample
   _Sample.Sf_framecode                     sample_2
   _Sample.Entry_ID                         6204
   _Sample.ID                               2
   _Sample.Type                             solution
   _Sample.Sub_type                         .
   _Sample.Details                          .
   _Sample.Aggregate_sample_number          .
   _Sample.Solvent_system                   .
   _Sample.Preparation_date                 .
   _Sample.Preparation_expiration_date      .
   _Sample.Polycrystallization_protocol     .
   _Sample.Single_crystal_protocol          .
   _Sample.Crystal_grow_apparatus           .
   _Sample.Crystal_grow_atmosphere          .
   _Sample.Crystal_grow_details             .
   _Sample.Crystal_grow_method              .
   _Sample.Crystal_grow_method_cit_ID       .
   _Sample.Crystal_grow_pH                  .
   _Sample.Crystal_grow_pH_range            .
   _Sample.Crystal_grow_pressure            .
   _Sample.Crystal_grow_pressure_esd        .
   _Sample.Crystal_grow_seeding             .
   _Sample.Crystal_grow_seeding_cit_ID      .
   _Sample.Crystal_grow_temp                .
   _Sample.Crystal_grow_temp_details        .
   _Sample.Crystal_grow_temp_esd            .
   _Sample.Crystal_grow_time                .
   _Sample.Oriented_sample_prep_protocol    .
   _Sample.Lyophilization_cryo_protectant   .
   _Sample.Storage_protocol                 .

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

      1   'AlaB12-DKP-insulin, chain A'   .   .   .   1   $DKP_HI_A   .   .   1.2   .   .   mM   .   .   .   .   6204   2
      2   'AlaB12-DKP-insulin, chain B'   .   .   .   2   $DKP_HI_B   .   .   1.2   .   .   mM   .   .   .   .   6204   2
      3   D2O                             .   .   .   .   .           .   .   100   .   .   %    .   .   .   .   6204   2
   stop_
save_

save_sample_3
   _Sample.Sf_category                      sample
   _Sample.Sf_framecode                     sample_3
   _Sample.Entry_ID                         6204
   _Sample.ID                               3
   _Sample.Type                             solution
   _Sample.Sub_type                         .
   _Sample.Details                          .
   _Sample.Aggregate_sample_number          .
   _Sample.Solvent_system                   .
   _Sample.Preparation_date                 .
   _Sample.Preparation_expiration_date      .
   _Sample.Polycrystallization_protocol     .
   _Sample.Single_crystal_protocol          .
   _Sample.Crystal_grow_apparatus           .
   _Sample.Crystal_grow_atmosphere          .
   _Sample.Crystal_grow_details             .
   _Sample.Crystal_grow_method              .
   _Sample.Crystal_grow_method_cit_ID       .
   _Sample.Crystal_grow_pH                  .
   _Sample.Crystal_grow_pH_range            .
   _Sample.Crystal_grow_pressure            .
   _Sample.Crystal_grow_pressure_esd        .
   _Sample.Crystal_grow_seeding             .
   _Sample.Crystal_grow_seeding_cit_ID      .
   _Sample.Crystal_grow_temp                .
   _Sample.Crystal_grow_temp_details        .
   _Sample.Crystal_grow_temp_esd            .
   _Sample.Crystal_grow_time                .
   _Sample.Oriented_sample_prep_protocol    .
   _Sample.Lyophilization_cryo_protectant   .
   _Sample.Storage_protocol                 .

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

      1   'AlaB12-DKP-insulin, chain A'   .   .   .   1   $DKP_HI_A   .   .   1.2   .   .   mM   .   .   .   .   6204   3
      2   'AlaB12-DKP-insulin, chain B'   .   .   .   2   $DKP_HI_B   .   .   1.2   .   .   mM   .   .   .   .   6204   3
      3   D2O                             .   .   .   .   .           .   .   80    .   .   %    .   .   .   .   6204   3
      4   'deuterated acetic acid'        .   .   .   .   .           .   .   20    .   .   %    .   .   .   .   6204   3
   stop_
save_


#######################
#  Sample conditions  #
#######################
save_sample_cond_1
   _Sample_condition_list.Sf_category    sample_conditions
   _Sample_condition_list.Sf_framecode   sample_cond_1
   _Sample_condition_list.Entry_ID       6204
   _Sample_condition_list.ID             1
   _Sample_condition_list.Details        .

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

      pH            7.0   0.1   pH    6204   1
      pressure      1     .     atm   6204   1
      temperature   298   1     K     6204   1
   stop_
save_

save_sample_cond_2
   _Sample_condition_list.Sf_category    sample_conditions
   _Sample_condition_list.Sf_framecode   sample_cond_2
   _Sample_condition_list.Entry_ID       6204
   _Sample_condition_list.ID             2
   _Sample_condition_list.Details        .

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

      pH            7.6   0.1   pH    6204   2
      pressure      1     .     atm   6204   2
      temperature   305   1     K     6204   2
   stop_
save_

save_sample_cond_3
   _Sample_condition_list.Sf_category    sample_conditions
   _Sample_condition_list.Sf_framecode   sample_cond_3
   _Sample_condition_list.Entry_ID       6204
   _Sample_condition_list.ID             3
   _Sample_condition_list.Details        .

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

      pH            1.9   0.1   pH    6204   3
      pressure      1     .     atm   6204   3
      temperature   298   1     K     6204   3
   stop_
save_


############################
#  Computer software used  #
############################
save_DGII
   _Software.Sf_category    software
   _Software.Sf_framecode   DGII
   _Software.Entry_ID       6204
   _Software.ID             1
   _Software.Type           .
   _Software.Name           DGII
   _Software.Version        'INSIGHTII 2000'
   _Software.DOI            .
   _Software.Details        'Molecular Simulations INC.'

   loop_
      _Task.Task
      _Task.Entry_ID
      _Task.Software_ID

      'structure solution'   6204   1
   stop_
save_

save_X-PLOR
   _Software.Sf_category    software
   _Software.Sf_framecode   X-PLOR
   _Software.Entry_ID       6204
   _Software.ID             2
   _Software.Type           .
   _Software.Name           X-PLOR
   _Software.Version        3.85
   _Software.DOI            .
   _Software.Details        Brunger

   loop_
      _Task.Task
      _Task.Entry_ID
      _Task.Software_ID

      'simulated annealing refinement'   6204   2
   stop_
save_


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

    ##################################
    #  NMR Spectrometer definitions  #
    ##################################
save_NMR_spectrometer
   _NMR_spectrometer.Sf_category      NMR_spectrometer
   _NMR_spectrometer.Sf_framecode     NMR_spectrometer
   _NMR_spectrometer.Entry_ID         6204
   _NMR_spectrometer.ID               1
   _NMR_spectrometer.Details          .
   _NMR_spectrometer.Manufacturer     Varian
   _NMR_spectrometer.Model            INOVA
   _NMR_spectrometer.Serial_number    .
   _NMR_spectrometer.Field_strength   600
save_

save_spectrometer_list
   _NMR_spectrometer_list.Sf_category    NMR_spectrometer_list
   _NMR_spectrometer_list.Sf_framecode   spectrometer_list
   _NMR_spectrometer_list.Entry_ID       6204
   _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   NMR_spectrometer   Varian   INOVA   .   600   .   .   .   6204   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       6204
   _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 NOESY'   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   6204   1
      2   '2D TOCSY'   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   6204   1
      3   DQF-COSY     .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   6204   1
   stop_
save_


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

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

	################################
	#  Chemical shift referencing  #
	################################
save_chemical_shift_reference
   _Chem_shift_reference.Sf_category    chem_shift_reference
   _Chem_shift_reference.Sf_framecode   chemical_shift_reference
   _Chem_shift_reference.Entry_ID       6204
   _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.Ref_correction_type
      _Chem_shift_ref.Correction_val
      _Chem_shift_ref.Entry_ID
      _Chem_shift_ref.Chem_shift_reference_ID

      H   1   DSS   'methyl protons'   .   .   .   .   ppm   0.0   internal   direct   1.0   .   .   .   .   .   6204   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_nmr_parameters_1
   _Assigned_chem_shift_list.Sf_category                   assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                  nmr_parameters_1
   _Assigned_chem_shift_list.Entry_ID                      6204
   _Assigned_chem_shift_list.ID                            1
   _Assigned_chem_shift_list.Sample_condition_list_ID      3
   _Assigned_chem_shift_list.Sample_condition_list_label   $sample_cond_3
   _Assigned_chem_shift_list.Chem_shift_reference_ID       1
   _Assigned_chem_shift_list.Chem_shift_reference_label    $chemical_shift_reference
   _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 NOESY'   .   .   .   6204   1
      2   '2D TOCSY'   .   .   .   6204   1
      3   DQF-COSY     .   .   .   6204   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.Ambiguity_set_ID
      _Atom_chem_shift.Occupancy
      _Atom_chem_shift.Resonance_ID
      _Atom_chem_shift.Auth_entity_assembly_ID
      _Atom_chem_shift.Auth_asym_ID
      _Atom_chem_shift.Auth_seq_ID
      _Atom_chem_shift.Auth_comp_ID
      _Atom_chem_shift.Auth_atom_ID
      _Atom_chem_shift.Details
      _Atom_chem_shift.Entry_ID
      _Atom_chem_shift.Assigned_chem_shift_list_ID

      1     .   1   1   2    2    ILE   H      H   1   8.53   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   1
      2     .   1   1   2    2    ILE   HA     H   1   4.06   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   1
      3     .   1   1   2    2    ILE   HB     H   1   1.21   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   1
      4     .   1   1   2    2    ILE   HG12   H   1   1.06   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   1
      5     .   1   1   2    2    ILE   HG13   H   1   0.90   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   1
      6     .   1   1   2    2    ILE   HG21   H   1   0.80   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   1
      7     .   1   1   2    2    ILE   HG22   H   1   0.80   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   1
      8     .   1   1   2    2    ILE   HG23   H   1   0.80   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   1
      9     .   1   1   2    2    ILE   HD11   H   1   0.50   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   1
      10    .   1   1   2    2    ILE   HD12   H   1   0.50   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   1
      11    .   1   1   2    2    ILE   HD13   H   1   0.50   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   1
      12    .   1   1   3    3    VAL   H      H   1   8.16   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   1
      13    .   1   1   3    3    VAL   HA     H   1   3.57   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   1
      14    .   1   1   3    3    VAL   HB     H   1   1.94   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   1
      15    .   1   1   3    3    VAL   HG11   H   1   0.92   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   1
      16    .   1   1   3    3    VAL   HG12   H   1   0.92   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   1
      17    .   1   1   3    3    VAL   HG13   H   1   0.92   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   1
      18    .   1   1   3    3    VAL   HG21   H   1   0.95   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   1
      19    .   1   1   3    3    VAL   HG22   H   1   0.95   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   1
      20    .   1   1   3    3    VAL   HG23   H   1   0.95   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   1
      21    .   1   1   4    4    GLU   H      H   1   8.10   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   1
      22    .   1   1   4    4    GLU   HA     H   1   4.23   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   1
      23    .   1   1   4    4    GLU   HB2    H   1   2.21   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   1
      24    .   1   1   4    4    GLU   HB3    H   1   2.21   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   1
      25    .   1   1   4    4    GLU   HG2    H   1   2.52   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   1
      26    .   1   1   4    4    GLU   HG3    H   1   2.51   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   1
      27    .   1   1   5    5    GLN   HA     H   1   4.11   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   1
      28    .   1   1   5    5    GLN   HB2    H   1   2.14   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   1
      29    .   1   1   5    5    GLN   HB3    H   1   2.11   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   1
      30    .   1   1   5    5    GLN   HG2    H   1   2.44   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   1
      31    .   1   1   5    5    GLN   HG3    H   1   2.25   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   1
      32    .   1   1   6    6    CYS   H      H   1   8.33   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   1
      33    .   1   1   6    6    CYS   HA     H   1   4.96   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   1
      34    .   1   1   6    6    CYS   HB2    H   1   3.38   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   1
      35    .   1   1   6    6    CYS   HB3    H   1   2.92   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   1
      36    .   1   1   7    7    CYS   H      H   1   8.30   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   1
      37    .   1   1   7    7    CYS   HA     H   1   4.88   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   1
      38    .   1   1   7    7    CYS   HB2    H   1   3.78   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   1
      39    .   1   1   7    7    CYS   HB3    H   1   3.33   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   1
      40    .   1   1   8    8    THR   H      H   1   8.23   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   1
      41    .   1   1   8    8    THR   HA     H   1   4.13   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   1
      42    .   1   1   8    8    THR   HB     H   1   4.44   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   1
      43    .   1   1   8    8    THR   HG21   H   1   1.28   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   1
      44    .   1   1   8    8    THR   HG22   H   1   1.28   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   1
      45    .   1   1   8    8    THR   HG23   H   1   1.28   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   1
      46    .   1   1   9    9    SER   H      H   1   7.47   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   1
      47    .   1   1   9    9    SER   HA     H   1   4.79   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   1
      48    .   1   1   9    9    SER   HB2    H   1   3.92   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   1
      49    .   1   1   9    9    SER   HB3    H   1   4.07   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   1
      50    .   1   1   10   10   ILE   H      H   1   7.88   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   1
      51    .   1   1   10   10   ILE   HA     H   1   4.41   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   1
      52    .   1   1   10   10   ILE   HB     H   1   1.62   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   1
      53    .   1   1   10   10   ILE   HG12   H   1   1.16   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   1
      54    .   1   1   10   10   ILE   HG21   H   1   0.71   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   1
      55    .   1   1   10   10   ILE   HG22   H   1   0.71   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   1
      56    .   1   1   10   10   ILE   HG23   H   1   0.71   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   1
      57    .   1   1   10   10   ILE   HD11   H   1   0.58   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   1
      58    .   1   1   10   10   ILE   HD12   H   1   0.58   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   1
      59    .   1   1   10   10   ILE   HD13   H   1   0.58   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   1
      60    .   1   1   11   11   CYS   HA     H   1   4.96   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   1
      61    .   1   1   11   11   CYS   HB2    H   1   3.24   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   1
      62    .   1   1   11   11   CYS   HB3    H   1   2.99   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   1
      63    .   1   1   12   12   SER   H      H   1   8.68   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   1
      64    .   1   1   12   12   SER   HA     H   1   4.64   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   1
      65    .   1   1   12   12   SER   HB2    H   1   4.04   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   1
      66    .   1   1   12   12   SER   HB3    H   1   4.33   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   1
      67    .   1   1   13   13   LEU   H      H   1   8.68   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   1
      68    .   1   1   13   13   LEU   HA     H   1   3.92   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   1
      69    .   1   1   13   13   LEU   HB2    H   1   1.40   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   1
      70    .   1   1   13   13   LEU   HB3    H   1   1.40   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   1
      71    .   1   1   13   13   LEU   HG     H   1   1.42   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   1
      72    .   1   1   13   13   LEU   HD11   H   1   0.85   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   1
      73    .   1   1   13   13   LEU   HD12   H   1   0.85   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   1
      74    .   1   1   13   13   LEU   HD13   H   1   0.85   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   1
      75    .   1   1   13   13   LEU   HD21   H   1   0.77   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   1
      76    .   1   1   13   13   LEU   HD22   H   1   0.77   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   1
      77    .   1   1   13   13   LEU   HD23   H   1   0.77   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   1
      78    .   1   1   14   14   TYR   H      H   1   7.54   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   1
      79    .   1   1   14   14   TYR   HA     H   1   4.19   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   1
      80    .   1   1   14   14   TYR   HB2    H   1   3.03   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   1
      81    .   1   1   14   14   TYR   HB3    H   1   2.94   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   1
      82    .   1   1   14   14   TYR   HD1    H   1   7.10   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   1
      83    .   1   1   14   14   TYR   HD2    H   1   7.10   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   1
      84    .   1   1   14   14   TYR   HE1    H   1   6.80   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   1
      85    .   1   1   14   14   TYR   HE2    H   1   6.80   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   1
      86    .   1   1   15   15   GLN   H      H   1   7.59   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   1
      87    .   1   1   15   15   GLN   HA     H   1   4.03   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   1
      88    .   1   1   15   15   GLN   HB2    H   1   2.42   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   1
      89    .   1   1   15   15   GLN   HB3    H   1   2.07   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   1
      90    .   1   1   15   15   GLN   HG2    H   1   2.48   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   1
      91    .   1   1   15   15   GLN   HG3    H   1   2.48   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   1
      92    .   1   1   16   16   LEU   H      H   1   8.11   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   1
      93    .   1   1   16   16   LEU   HA     H   1   4.18   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   1
      94    .   1   1   16   16   LEU   HB2    H   1   1.96   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   1
      95    .   1   1   16   16   LEU   HB3    H   1   1.61   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   1
      96    .   1   1   16   16   LEU   HG     H   1   1.78   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   1
      97    .   1   1   16   16   LEU   HD11   H   1   0.76   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   1
      98    .   1   1   16   16   LEU   HD12   H   1   0.76   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   1
      99    .   1   1   16   16   LEU   HD13   H   1   0.76   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   1
      100   .   1   1   16   16   LEU   HD21   H   1   0.69   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   1
      101   .   1   1   16   16   LEU   HD22   H   1   0.69   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   1
      102   .   1   1   16   16   LEU   HD23   H   1   0.69   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   1
      103   .   1   1   17   17   GLU   H      H   1   8.11   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   1
      104   .   1   1   17   17   GLU   HA     H   1   4.18   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   1
      105   .   1   1   17   17   GLU   HB2    H   1   2.15   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   1
      106   .   1   1   17   17   GLU   HB3    H   1   2.06   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   1
      107   .   1   1   17   17   GLU   HG2    H   1   2.58   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   1
      108   .   1   1   17   17   GLU   HG3    H   1   2.37   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   1
      109   .   1   1   18   18   ASN   H      H   1   7.46   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   1
      110   .   1   1   18   18   ASN   HA     H   1   4.51   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   1
      111   .   1   1   18   18   ASN   HB2    H   1   2.65   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   1
      112   .   1   1   18   18   ASN   HB3    H   1   2.57   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   1
      113   .   1   1   18   18   ASN   HD21   H   1   7.20   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   1
      114   .   1   1   18   18   ASN   HD22   H   1   6.56   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   1
      115   .   1   1   19   19   TYR   H      H   1   7.94   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   1
      116   .   1   1   19   19   TYR   HA     H   1   4.46   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   1
      117   .   1   1   19   19   TYR   HB2    H   1   3.41   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   1
      118   .   1   1   19   19   TYR   HB3    H   1   3.30   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   1
      119   .   1   1   19   19   TYR   HD1    H   1   7.34   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   1
      120   .   1   1   19   19   TYR   HD2    H   1   7.34   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   1
      121   .   1   1   19   19   TYR   HE1    H   1   6.78   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   1
      122   .   1   1   19   19   TYR   HE2    H   1   6.78   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   1
      123   .   1   1   20   20   CYS   H      H   1   7.47   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   1
      124   .   1   1   20   20   CYS   HA     H   1   4.87   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   1
      125   .   1   1   20   20   CYS   HB2    H   1   3.24   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   1
      126   .   1   1   20   20   CYS   HB3    H   1   2.85   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   1
      127   .   1   1   21   21   ASN   H      H   1   8.21   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   1
      128   .   1   1   21   21   ASN   HA     H   1   4.75   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   1
      129   .   1   1   21   21   ASN   HB2    H   1   2.90   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   1
      130   .   1   1   21   21   ASN   HB3    H   1   2.79   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   1
   stop_
save_

save_nmr_parameters_2
   _Assigned_chem_shift_list.Sf_category                   assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                  nmr_parameters_2
   _Assigned_chem_shift_list.Entry_ID                      6204
   _Assigned_chem_shift_list.ID                            2
   _Assigned_chem_shift_list.Sample_condition_list_ID      1
   _Assigned_chem_shift_list.Sample_condition_list_label   $sample_cond_1
   _Assigned_chem_shift_list.Chem_shift_reference_ID       1
   _Assigned_chem_shift_list.Chem_shift_reference_label    $chemical_shift_reference
   _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 NOESY'   .   .   .   6204   2
      2   '2D TOCSY'   .   .   .   6204   2
      3   DQF-COSY     .   .   .   6204   2
   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.Ambiguity_set_ID
      _Atom_chem_shift.Occupancy
      _Atom_chem_shift.Resonance_ID
      _Atom_chem_shift.Auth_entity_assembly_ID
      _Atom_chem_shift.Auth_asym_ID
      _Atom_chem_shift.Auth_seq_ID
      _Atom_chem_shift.Auth_comp_ID
      _Atom_chem_shift.Auth_atom_ID
      _Atom_chem_shift.Details
      _Atom_chem_shift.Entry_ID
      _Atom_chem_shift.Assigned_chem_shift_list_ID

      1     .   1   1   2    2    ILE   H      H   1   7.81   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   2
      2     .   1   1   2    2    ILE   HA     H   1   3.91   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   2
      3     .   1   1   2    2    ILE   HB     H   1   1.15   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   2
      4     .   1   1   2    2    ILE   HG12   H   1   1.10   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   2
      5     .   1   1   2    2    ILE   HG13   H   1   0.85   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   2
      6     .   1   1   2    2    ILE   HG21   H   1   0.71   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   2
      7     .   1   1   2    2    ILE   HG22   H   1   0.71   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   2
      8     .   1   1   2    2    ILE   HG23   H   1   0.71   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   2
      9     .   1   1   2    2    ILE   HD11   H   1   0.50   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   2
      10    .   1   1   2    2    ILE   HD12   H   1   0.50   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   2
      11    .   1   1   2    2    ILE   HD13   H   1   0.50   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   2
      12    .   1   1   3    3    VAL   H      H   1   8.25   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   2
      13    .   1   1   3    3    VAL   HA     H   1   3.59   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   2
      14    .   1   1   3    3    VAL   HB     H   1   1.94   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   2
      15    .   1   1   3    3    VAL   HG11   H   1   0.92   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   2
      16    .   1   1   3    3    VAL   HG12   H   1   0.92   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   2
      17    .   1   1   3    3    VAL   HG13   H   1   0.92   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   2
      18    .   1   1   3    3    VAL   HG21   H   1   0.89   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   2
      19    .   1   1   3    3    VAL   HG22   H   1   0.89   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   2
      20    .   1   1   3    3    VAL   HG23   H   1   0.89   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   2
      21    .   1   1   4    4    GLU   H      H   1   8.27   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   2
      22    .   1   1   4    4    GLU   HA     H   1   4.05   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   2
      23    .   1   1   4    4    GLU   HB2    H   1   2.25   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   2
      24    .   1   1   4    4    GLU   HB3    H   1   2.13   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   2
      25    .   1   1   4    4    GLU   HG2    H   1   2.48   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   2
      26    .   1   1   4    4    GLU   HG3    H   1   2.38   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   2
      27    .   1   1   5    5    GLN   H      H   1   8.33   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   2
      28    .   1   1   5    5    GLN   HA     H   1   4.13   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   2
      29    .   1   1   5    5    GLN   HB2    H   1   2.05   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   2
      30    .   1   1   5    5    GLN   HB3    H   1   2.05   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   2
      31    .   1   1   5    5    GLN   HG2    H   1   2.49   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   2
      32    .   1   1   5    5    GLN   HG3    H   1   2.27   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   2
      33    .   1   1   6    6    CYS   H      H   1   8.34   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   2
      34    .   1   1   6    6    CYS   HA     H   1   5.00   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   2
      35    .   1   1   6    6    CYS   HB2    H   1   3.39   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   2
      36    .   1   1   6    6    CYS   HB3    H   1   2.84   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   2
      37    .   1   1   7    7    CYS   H      H   1   8.21   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   2
      38    .   1   1   7    7    CYS   HA     H   1   4.89   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   2
      39    .   1   1   7    7    CYS   HB2    H   1   3.74   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   2
      40    .   1   1   7    7    CYS   HB3    H   1   3.29   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   2
      41    .   1   1   8    8    THR   H      H   1   8.15   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   2
      42    .   1   1   8    8    THR   HA     H   1   4.08   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   2
      43    .   1   1   8    8    THR   HB     H   1   4.41   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   2
      44    .   1   1   8    8    THR   HG21   H   1   1.27   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   2
      45    .   1   1   8    8    THR   HG22   H   1   1.27   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   2
      46    .   1   1   8    8    THR   HG23   H   1   1.27   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   2
      47    .   1   1   9    9    SER   H      H   1   7.43   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   2
      48    .   1   1   9    9    SER   HA     H   1   4.80   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   2
      49    .   1   1   9    9    SER   HB2    H   1   3.90   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   2
      50    .   1   1   9    9    SER   HB3    H   1   4.03   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   2
      51    .   1   1   10   10   ILE   H      H   1   7.89   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   2
      52    .   1   1   10   10   ILE   HA     H   1   4.33   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   2
      53    .   1   1   10   10   ILE   HB     H   1   1.60   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   2
      54    .   1   1   10   10   ILE   HG12   H   1   1.16   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   2
      55    .   1   1   10   10   ILE   HG21   H   1   0.69   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   2
      56    .   1   1   10   10   ILE   HG22   H   1   0.69   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   2
      57    .   1   1   10   10   ILE   HG23   H   1   0.69   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   2
      58    .   1   1   10   10   ILE   HD11   H   1   0.52   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   2
      59    .   1   1   10   10   ILE   HD12   H   1   0.52   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   2
      60    .   1   1   10   10   ILE   HD13   H   1   0.52   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   2
      61    .   1   1   11   11   CYS   H      H   1   9.80   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   2
      62    .   1   1   11   11   CYS   HA     H   1   4.98   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   2
      63    .   1   1   11   11   CYS   HB2    H   1   3.11   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   2
      64    .   1   1   11   11   CYS   HB3    H   1   3.11   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   2
      65    .   1   1   12   12   SER   H      H   1   8.71   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   2
      66    .   1   1   12   12   SER   HA     H   1   4.79   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   2
      67    .   1   1   12   12   SER   HB2    H   1   4.01   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   2
      68    .   1   1   12   12   SER   HB3    H   1   4.19   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   2
      69    .   1   1   13   13   LEU   H      H   1   8.71   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   2
      70    .   1   1   13   13   LEU   HA     H   1   3.88   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   2
      71    .   1   1   13   13   LEU   HB2    H   1   1.54   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   2
      72    .   1   1   13   13   LEU   HB3    H   1   1.45   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   2
      73    .   1   1   13   13   LEU   HG     H   1   1.33   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   2
      74    .   1   1   13   13   LEU   HD11   H   1   0.82   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   2
      75    .   1   1   13   13   LEU   HD12   H   1   0.82   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   2
      76    .   1   1   13   13   LEU   HD13   H   1   0.82   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   2
      77    .   1   1   13   13   LEU   HD21   H   1   0.75   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   2
      78    .   1   1   13   13   LEU   HD22   H   1   0.75   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   2
      79    .   1   1   13   13   LEU   HD23   H   1   0.75   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   2
      80    .   1   1   14   14   TYR   H      H   1   7.68   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   2
      81    .   1   1   14   14   TYR   HA     H   1   4.31   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   2
      82    .   1   1   14   14   TYR   HB2    H   1   3.01   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   2
      83    .   1   1   14   14   TYR   HB3    H   1   3.02   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   2
      84    .   1   1   14   14   TYR   HD1    H   1   7.12   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   2
      85    .   1   1   14   14   TYR   HD2    H   1   7.12   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   2
      86    .   1   1   14   14   TYR   HE1    H   1   6.85   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   2
      87    .   1   1   14   14   TYR   HE2    H   1   6.85   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   2
      88    .   1   1   15   15   GLN   H      H   1   7.49   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   2
      89    .   1   1   15   15   GLN   HA     H   1   4.01   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   2
      90    .   1   1   15   15   GLN   HB2    H   1   2.25   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   2
      91    .   1   1   15   15   GLN   HB3    H   1   2.07   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   2
      92    .   1   1   15   15   GLN   HG2    H   1   2.42   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   2
      93    .   1   1   15   15   GLN   HG3    H   1   2.35   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   2
      94    .   1   1   16   16   LEU   H      H   1   7.81   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   2
      95    .   1   1   16   16   LEU   HA     H   1   4.09   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   2
      96    .   1   1   16   16   LEU   HB2    H   1   1.40   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   2
      97    .   1   1   16   16   LEU   HB3    H   1   2.00   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   2
      98    .   1   1   16   16   LEU   HG     H   1   1.77   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   2
      99    .   1   1   16   16   LEU   HD11   H   1   0.85   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   2
      100   .   1   1   16   16   LEU   HD12   H   1   0.85   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   2
      101   .   1   1   16   16   LEU   HD13   H   1   0.85   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   2
      102   .   1   1   16   16   LEU   HD21   H   1   0.75   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   2
      103   .   1   1   16   16   LEU   HD22   H   1   0.75   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   2
      104   .   1   1   16   16   LEU   HD23   H   1   0.75   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   2
      105   .   1   1   17   17   GLU   H      H   1   8.03   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   2
      106   .   1   1   17   17   GLU   HA     H   1   4.09   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   2
      107   .   1   1   17   17   GLU   HB2    H   1   2.12   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   2
      108   .   1   1   17   17   GLU   HB3    H   1   2.02   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   2
      109   .   1   1   17   17   GLU   HG2    H   1   2.39   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   2
      110   .   1   1   17   17   GLU   HG3    H   1   2.24   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   2
      111   .   1   1   18   18   ASN   H      H   1   7.33   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   2
      112   .   1   1   18   18   ASN   HA     H   1   4.50   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   2
      113   .   1   1   18   18   ASN   HB2    H   1   2.70   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   2
      114   .   1   1   18   18   ASN   HB3    H   1   2.59   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   2
      115   .   1   1   18   18   ASN   HD21   H   1   7.25   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   2
      116   .   1   1   18   18   ASN   HD22   H   1   6.70   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   2
      117   .   1   1   19   19   TYR   H      H   1   8.01   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   2
      118   .   1   1   19   19   TYR   HA     H   1   4.20   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   2
      119   .   1   1   19   19   TYR   HB2    H   1   3.55   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   2
      120   .   1   1   19   19   TYR   HB3    H   1   2.79   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   2
      121   .   1   1   19   19   TYR   HD1    H   1   7.32   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   2
      122   .   1   1   19   19   TYR   HD2    H   1   7.32   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   2
      123   .   1   1   19   19   TYR   HE1    H   1   6.82   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   2
      124   .   1   1   19   19   TYR   HE2    H   1   6.82   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   2
      125   .   1   1   20   20   CYS   H      H   1   7.19   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   2
      126   .   1   1   20   20   CYS   HA     H   1   5.17   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   2
      127   .   1   1   20   20   CYS   HB2    H   1   3.31   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   2
      128   .   1   1   20   20   CYS   HB3    H   1   2.80   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   2
      129   .   1   1   21   21   ASN   H      H   1   8.01   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   2
      130   .   1   1   21   21   ASN   HA     H   1   4.50   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   2
      131   .   1   1   21   21   ASN   HB2    H   1   2.78   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   2
      132   .   1   1   21   21   ASN   HB3    H   1   2.65   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   2
      133   .   1   1   21   21   ASN   HD21   H   1   7.53   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   2
      134   .   1   1   21   21   ASN   HD22   H   1   6.58   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   2
   stop_
save_

save_nmr_parameters_3
   _Assigned_chem_shift_list.Sf_category                   assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                  nmr_parameters_3
   _Assigned_chem_shift_list.Entry_ID                      6204
   _Assigned_chem_shift_list.ID                            3
   _Assigned_chem_shift_list.Sample_condition_list_ID      3
   _Assigned_chem_shift_list.Sample_condition_list_label   $sample_cond_3
   _Assigned_chem_shift_list.Chem_shift_reference_ID       1
   _Assigned_chem_shift_list.Chem_shift_reference_label    $chemical_shift_reference
   _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 NOESY'   .   .   .   6204   3
      2   '2D TOCSY'   .   .   .   6204   3
      3   DQF-COSY     .   .   .   6204   3
   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.Ambiguity_set_ID
      _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     .   2   2   1    1    PHE   HA     H   1   4.32   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      2     .   2   2   1    1    PHE   HB2    H   1   3.19   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      3     .   2   2   1    1    PHE   HB3    H   1   3.19   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      4     .   2   2   1    1    PHE   HD1    H   1   7.23   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      5     .   2   2   1    1    PHE   HD2    H   1   7.23   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      6     .   2   2   1    1    PHE   HE1    H   1   7.36   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      7     .   2   2   1    1    PHE   HE2    H   1   7.36   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      8     .   2   2   2    2    VAL   H      H   1   8.23   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      9     .   2   2   2    2    VAL   HA     H   1   4.16   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      10    .   2   2   2    2    VAL   HB     H   1   1.96   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      11    .   2   2   2    2    VAL   HG11   H   1   0.89   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      12    .   2   2   2    2    VAL   HG12   H   1   0.89   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      13    .   2   2   2    2    VAL   HG13   H   1   0.89   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      14    .   2   2   2    2    VAL   HG21   H   1   0.89   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      15    .   2   2   2    2    VAL   HG22   H   1   0.89   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      16    .   2   2   2    2    VAL   HG23   H   1   0.89   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      17    .   2   2   3    3    ASN   H      H   1   8.54   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      18    .   2   2   3    3    ASN   HA     H   1   4.74   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      19    .   2   2   3    3    ASN   HB2    H   1   2.73   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      20    .   2   2   3    3    ASN   HB3    H   1   2.73   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      21    .   2   2   4    4    GLN   H      H   1   8.40   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      22    .   2   2   4    4    GLN   HA     H   1   4.50   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      23    .   2   2   4    4    GLN   HB2    H   1   2.15   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      24    .   2   2   4    4    GLN   HB3    H   1   1.95   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      25    .   2   2   4    4    GLN   HG2    H   1   2.29   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      26    .   2   2   4    4    GLN   HG3    H   1   2.23   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      27    .   2   2   5    5    HIS   H      H   1   8.64   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      28    .   2   2   5    5    HIS   HA     H   1   4.53   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      29    .   2   2   5    5    HIS   HB2    H   1   3.59   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      30    .   2   2   5    5    HIS   HB3    H   1   3.31   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      31    .   2   2   6    6    LEU   H      H   1   8.90   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      32    .   2   2   6    6    LEU   HA     H   1   4.61   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      33    .   2   2   6    6    LEU   HB2    H   1   1.76   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      34    .   2   2   6    6    LEU   HB3    H   1   0.99   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      35    .   2   2   6    6    LEU   HG     H   1   1.63   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      36    .   2   2   6    6    LEU   HD11   H   1   0.92   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      37    .   2   2   6    6    LEU   HD12   H   1   0.92   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      38    .   2   2   6    6    LEU   HD13   H   1   0.92   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      39    .   2   2   6    6    LEU   HD21   H   1   0.81   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      40    .   2   2   6    6    LEU   HD22   H   1   0.81   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      41    .   2   2   6    6    LEU   HD23   H   1   0.81   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      42    .   2   2   7    7    CYS   H      H   1   8.38   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      43    .   2   2   7    7    CYS   HA     H   1   4.95   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      44    .   2   2   7    7    CYS   HB2    H   1   2.99   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      45    .   2   2   7    7    CYS   HB3    H   1   3.26   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      46    .   2   2   8    8    GLY   H      H   1   9.12   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      47    .   2   2   8    8    GLY   HA2    H   1   3.87   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      48    .   2   2   8    8    GLY   HA3    H   1   4.00   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      49    .   2   2   9    9    SER   H      H   1   9.08   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      50    .   2   2   9    9    SER   HA     H   1   4.30   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      51    .   2   2   9    9    SER   HB2    H   1   4.00   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      52    .   2   2   9    9    SER   HB3    H   1   4.00   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      53    .   2   2   10   10   ASP   H      H   1   8.23   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      54    .   2   2   10   10   ASP   HA     H   1   4.58   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      55    .   2   2   10   10   ASP   HB2    H   1   3.25   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      56    .   2   2   10   10   ASP   HB3    H   1   2.88   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      57    .   2   2   11   11   LEU   H      H   1   7.10   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      58    .   2   2   11   11   LEU   HA     H   1   4.03   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      59    .   2   2   11   11   LEU   HB2    H   1   1.87   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      60    .   2   2   11   11   LEU   HB3    H   1   1.26   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      61    .   2   2   11   11   LEU   HG     H   1   1.60   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      62    .   2   2   11   11   LEU   HD11   H   1   0.83   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      63    .   2   2   11   11   LEU   HD12   H   1   0.83   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      64    .   2   2   11   11   LEU   HD13   H   1   0.83   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      65    .   2   2   11   11   LEU   HD21   H   1   0.79   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      66    .   2   2   11   11   LEU   HD22   H   1   0.79   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      67    .   2   2   11   11   LEU   HD23   H   1   0.79   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      68    .   2   2   12   12   ALA   H      H   1   7.48   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      69    .   2   2   12   12   ALA   HA     H   1   3.91   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      70    .   2   2   12   12   ALA   HB1    H   1   1.50   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      71    .   2   2   12   12   ALA   HB2    H   1   1.50   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      72    .   2   2   12   12   ALA   HB3    H   1   1.50   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      73    .   2   2   13   13   GLU   H      H   1   7.93   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      74    .   2   2   13   13   GLU   HA     H   1   4.12   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      75    .   2   2   13   13   GLU   HB2    H   1   2.17   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      76    .   2   2   13   13   GLU   HB3    H   1   2.12   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      77    .   2   2   13   13   GLU   HG2    H   1   2.51   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      78    .   2   2   13   13   GLU   HG3    H   1   2.51   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      79    .   2   2   14   14   ALA   H      H   1   7.90   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      80    .   2   2   14   14   ALA   HA     H   1   4.11   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      81    .   2   2   14   14   ALA   HB1    H   1   1.52   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      82    .   2   2   14   14   ALA   HB2    H   1   1.52   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      83    .   2   2   14   14   ALA   HB3    H   1   1.52   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      84    .   2   2   15   15   LEU   H      H   1   8.20   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      85    .   2   2   15   15   LEU   HA     H   1   3.93   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      86    .   2   2   15   15   LEU   HB2    H   1   0.61   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      87    .   2   2   15   15   LEU   HB3    H   1   1.54   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      88    .   2   2   15   15   LEU   HG     H   1   1.10   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      89    .   2   2   15   15   LEU   HD11   H   1   0.76   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      90    .   2   2   15   15   LEU   HD12   H   1   0.76   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      91    .   2   2   15   15   LEU   HD13   H   1   0.76   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      92    .   2   2   15   15   LEU   HD21   H   1   0.61   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      93    .   2   2   15   15   LEU   HD22   H   1   0.61   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      94    .   2   2   15   15   LEU   HD23   H   1   0.61   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      95    .   2   2   16   16   TYR   H      H   1   8.06   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      96    .   2   2   16   16   TYR   HA     H   1   4.25   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      97    .   2   2   16   16   TYR   HB2    H   1   3.20   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      98    .   2   2   16   16   TYR   HB3    H   1   3.18   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      99    .   2   2   16   16   TYR   HD1    H   1   7.15   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      100   .   2   2   16   16   TYR   HD2    H   1   7.15   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      101   .   2   2   16   16   TYR   HE1    H   1   6.98   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      102   .   2   2   16   16   TYR   HE2    H   1   6.98   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      103   .   2   2   17   17   LEU   H      H   1   7.96   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      104   .   2   2   17   17   LEU   HA     H   1   4.04   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      105   .   2   2   17   17   LEU   HB2    H   1   1.96   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      106   .   2   2   17   17   LEU   HB3    H   1   1.62   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      107   .   2   2   17   17   LEU   HG     H   1   1.87   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      108   .   2   2   17   17   LEU   HD11   H   1   0.95   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      109   .   2   2   17   17   LEU   HD12   H   1   0.95   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      110   .   2   2   17   17   LEU   HD13   H   1   0.95   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      111   .   2   2   17   17   LEU   HD21   H   1   0.95   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      112   .   2   2   17   17   LEU   HD22   H   1   0.95   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      113   .   2   2   17   17   LEU   HD23   H   1   0.95   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      114   .   2   2   18   18   VAL   H      H   1   8.54   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      115   .   2   2   18   18   VAL   HA     H   1   3.87   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      116   .   2   2   18   18   VAL   HB     H   1   2.15   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      117   .   2   2   18   18   VAL   HG11   H   1   1.07   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      118   .   2   2   18   18   VAL   HG12   H   1   1.07   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      119   .   2   2   18   18   VAL   HG13   H   1   1.07   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      120   .   2   2   18   18   VAL   HG21   H   1   0.92   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      121   .   2   2   18   18   VAL   HG22   H   1   0.92   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      122   .   2   2   18   18   VAL   HG23   H   1   0.92   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      123   .   2   2   19   19   CYS   H      H   1   8.70   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      124   .   2   2   19   19   CYS   HA     H   1   4.79   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      125   .   2   2   19   19   CYS   HB2    H   1   3.27   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      126   .   2   2   19   19   CYS   HB3    H   1   2.94   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      127   .   2   2   20   20   GLY   H      H   1   7.82   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      128   .   2   2   20   20   GLY   HA2    H   1   3.90   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      129   .   2   2   20   20   GLY   HA3    H   1   3.90   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      130   .   2   2   21   21   GLU   H      H   1   8.14   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      131   .   2   2   21   21   GLU   HA     H   1   4.18   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      132   .   2   2   21   21   GLU   HB2    H   1   2.12   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      133   .   2   2   21   21   GLU   HB3    H   1   1.98   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      134   .   2   2   21   21   GLU   HG2    H   1   2.44   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      135   .   2   2   21   21   GLU   HG3    H   1   2.51   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      136   .   2   2   22   22   ARG   H      H   1   7.97   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      137   .   2   2   22   22   ARG   HA     H   1   4.87   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      138   .   2   2   22   22   ARG   HB2    H   1   1.98   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      139   .   2   2   22   22   ARG   HB3    H   1   1.93   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      140   .   2   2   22   22   ARG   HG2    H   1   1.78   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      141   .   2   2   22   22   ARG   HG3    H   1   1.74   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      142   .   2   2   22   22   ARG   HD2    H   1   3.00   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      143   .   2   2   22   22   ARG   HD3    H   1   3.00   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      144   .   2   2   23   23   GLY   H      H   1   7.83   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      145   .   2   2   23   23   GLY   HA2    H   1   3.98   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      146   .   2   2   23   23   GLY   HA3    H   1   3.82   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      147   .   2   2   24   24   PHE   H      H   1   7.81   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      148   .   2   2   24   24   PHE   HA     H   1   4.87   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      149   .   2   2   24   24   PHE   HB2    H   1   3.26   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      150   .   2   2   24   24   PHE   HB3    H   1   2.86   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      151   .   2   2   24   24   PHE   HD1    H   1   6.85   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      152   .   2   2   24   24   PHE   HD2    H   1   6.85   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      153   .   2   2   24   24   PHE   HE1    H   1   7.06   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      154   .   2   2   24   24   PHE   HE2    H   1   7.06   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      155   .   2   2   25   25   PHE   H      H   1   8.18   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      156   .   2   2   25   25   PHE   HA     H   1   4.67   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      157   .   2   2   25   25   PHE   HB2    H   1   3.12   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      158   .   2   2   25   25   PHE   HB3    H   1   3.05   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      159   .   2   2   25   25   PHE   HD1    H   1   7.17   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      160   .   2   2   25   25   PHE   HD2    H   1   7.17   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      161   .   2   2   25   25   PHE   HE1    H   1   7.26   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      162   .   2   2   25   25   PHE   HE2    H   1   7.26   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      163   .   2   2   26   26   TYR   H      H   1   8.02   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      164   .   2   2   26   26   TYR   HA     H   1   4.66   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      165   .   2   2   26   26   TYR   HB2    H   1   3.03   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      166   .   2   2   26   26   TYR   HB3    H   1   2.98   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      167   .   2   2   26   26   TYR   HD1    H   1   7.06   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      168   .   2   2   26   26   TYR   HD2    H   1   7.06   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      169   .   2   2   26   26   TYR   HE1    H   1   6.78   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      170   .   2   2   26   26   TYR   HE2    H   1   6.78   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      171   .   2   2   27   27   THR   H      H   1   7.87   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      172   .   2   2   27   27   THR   HA     H   1   4.39   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      173   .   2   2   27   27   THR   HB     H   1   4.13   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      174   .   2   2   27   27   THR   HG21   H   1   1.19   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      175   .   2   2   27   27   THR   HG22   H   1   1.19   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      176   .   2   2   27   27   THR   HG23   H   1   1.19   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      177   .   2   2   28   28   LYS   H      H   1   8.21   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      178   .   2   2   28   28   LYS   HA     H   1   4.53   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      179   .   2   2   28   28   LYS   HB2    H   1   1.85   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      180   .   2   2   28   28   LYS   HB3    H   1   1.75   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      181   .   2   2   28   28   LYS   HG2    H   1   1.49   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      182   .   2   2   28   28   LYS   HG3    H   1   1.49   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      183   .   2   2   28   28   LYS   HE2    H   1   3.01   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      184   .   2   2   28   28   LYS   HE3    H   1   3.01   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      185   .   2   2   29   29   PRO   HA     H   1   4.53   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      186   .   2   2   29   29   PRO   HB2    H   1   2.31   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      187   .   2   2   29   29   PRO   HB3    H   1   2.06   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   3
      188   .   2   2   29   29   PRO   HG2    H   1   2.00   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      189   .   2   2   29   29   PRO   HG3    H   1   2.00   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      190   .   2   2   30   30   THR   H      H   1   8.07   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      191   .   2   2   30   30   THR   HA     H   1   4.43   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      192   .   2   2   30   30   THR   HB     H   1   4.41   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      193   .   2   2   30   30   THR   HG21   H   1   1.24   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      194   .   2   2   30   30   THR   HG22   H   1   1.24   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
      195   .   2   2   30   30   THR   HG23   H   1   1.24   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   3
   stop_
save_

save_nmr_parameters_4
   _Assigned_chem_shift_list.Sf_category                   assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                  nmr_parameters_4
   _Assigned_chem_shift_list.Entry_ID                      6204
   _Assigned_chem_shift_list.ID                            4
   _Assigned_chem_shift_list.Sample_condition_list_ID      2
   _Assigned_chem_shift_list.Sample_condition_list_label   $sample_cond_2
   _Assigned_chem_shift_list.Chem_shift_reference_ID       1
   _Assigned_chem_shift_list.Chem_shift_reference_label    $chemical_shift_reference
   _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 NOESY'   .   .   .   6204   4
      2   '2D TOCSY'   .   .   .   6204   4
      3   DQF-COSY     .   .   .   6204   4
   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.Ambiguity_set_ID
      _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     .   2   2   1    1    PHE   HA     H   1   4.20   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      2     .   2   2   1    1    PHE   HB2    H   1   3.12   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      3     .   2   2   1    1    PHE   HB3    H   1   3.12   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      4     .   2   2   1    1    PHE   HD1    H   1   7.21   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      5     .   2   2   1    1    PHE   HD2    H   1   7.21   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      6     .   2   2   1    1    PHE   HE1    H   1   7.31   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      7     .   2   2   1    1    PHE   HE2    H   1   7.31   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      8     .   2   2   2    2    VAL   H      H   1   8.27   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      9     .   2   2   2    2    VAL   HA     H   1   4.05   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      10    .   2   2   2    2    VAL   HB     H   1   1.99   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      11    .   2   2   2    2    VAL   HG11   H   1   0.85   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      12    .   2   2   2    2    VAL   HG12   H   1   0.85   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      13    .   2   2   2    2    VAL   HG13   H   1   0.85   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      14    .   2   2   2    2    VAL   HG21   H   1   0.85   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      15    .   2   2   2    2    VAL   HG22   H   1   0.85   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      16    .   2   2   2    2    VAL   HG23   H   1   0.85   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      17    .   2   2   3    3    ASN   H      H   1   8.54   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      18    .   2   2   3    3    ASN   HA     H   1   4.62   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      19    .   2   2   3    3    ASN   HB2    H   1   2.75   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      20    .   2   2   3    3    ASN   HB3    H   1   2.82   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      21    .   2   2   4    4    GLN   H      H   1   8.20   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      22    .   2   2   4    4    GLN   HA     H   1   4.49   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      23    .   2   2   4    4    GLN   HB2    H   1   2.09   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      24    .   2   2   4    4    GLN   HB3    H   1   1.92   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      25    .   2   2   4    4    GLN   HG2    H   1   2.21   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      26    .   2   2   4    4    GLN   HG3    H   1   2.19   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      27    .   2   2   5    5    HIS   H      H   1   8.56   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      28    .   2   2   5    5    HIS   HA     H   1   4.49   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      29    .   2   2   5    5    HIS   HB2    H   1   3.52   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      30    .   2   2   5    5    HIS   HB3    H   1   3.21   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      31    .   2   2   6    6    LEU   H      H   1   8.97   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      32    .   2   2   6    6    LEU   HA     H   1   4.61   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      33    .   2   2   6    6    LEU   HB2    H   1   1.75   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      34    .   2   2   6    6    LEU   HB3    H   1   1.65   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      35    .   2   2   6    6    LEU   HD11   H   1   0.84   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      36    .   2   2   6    6    LEU   HD12   H   1   0.84   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      37    .   2   2   6    6    LEU   HD13   H   1   0.84   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      38    .   2   2   6    6    LEU   HD21   H   1   0.79   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      39    .   2   2   6    6    LEU   HD22   H   1   0.79   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      40    .   2   2   6    6    LEU   HD23   H   1   0.79   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      41    .   2   2   7    7    CYS   H      H   1   8.88   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      42    .   2   2   7    7    CYS   HA     H   1   4.97   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      43    .   2   2   7    7    CYS   HB2    H   1   3.26   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      44    .   2   2   7    7    CYS   HB3    H   1   3.00   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      45    .   2   2   8    8    GLY   H      H   1   9.34   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      46    .   2   2   8    8    GLY   HA2    H   1   3.89   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      47    .   2   2   8    8    GLY   HA3    H   1   4.05   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      48    .   2   2   9    9    SER   H      H   1   7.97   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      49    .   2   2   9    9    SER   HA     H   1   4.28   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      50    .   2   2   9    9    SER   HB2    H   1   3.95   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      51    .   2   2   9    9    SER   HB3    H   1   4.08   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      52    .   2   2   10   10   ASP   H      H   1   8.04   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      53    .   2   2   10   10   ASP   HA     H   1   4.44   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      54    .   2   2   10   10   ASP   HB2    H   1   3.01   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      55    .   2   2   10   10   ASP   HB3    H   1   2.70   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      56    .   2   2   11   11   LEU   H      H   1   6.99   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      57    .   2   2   11   11   LEU   HA     H   1   3.97   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      58    .   2   2   11   11   LEU   HB2    H   1   1.83   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      59    .   2   2   11   11   LEU   HB3    H   1   1.19   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      60    .   2   2   11   11   LEU   HG     H   1   1.30   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      61    .   2   2   11   11   LEU   HD11   H   1   0.69   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      62    .   2   2   11   11   LEU   HD12   H   1   0.69   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      63    .   2   2   11   11   LEU   HD13   H   1   0.69   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      64    .   2   2   11   11   LEU   HD21   H   1   0.73   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      65    .   2   2   11   11   LEU   HD22   H   1   0.73   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      66    .   2   2   11   11   LEU   HD23   H   1   0.73   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      67    .   2   2   12   12   ALA   H      H   1   7.30   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      68    .   2   2   12   12   ALA   HA     H   1   3.77   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      69    .   2   2   12   12   ALA   HB1    H   1   1.54   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      70    .   2   2   12   12   ALA   HB2    H   1   1.54   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      71    .   2   2   12   12   ALA   HB3    H   1   1.54   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      72    .   2   2   13   13   GLU   H      H   1   7.97   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      73    .   2   2   13   13   GLU   HA     H   1   4.09   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      74    .   2   2   13   13   GLU   HB2    H   1   2.12   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      75    .   2   2   13   13   GLU   HB3    H   1   2.12   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      76    .   2   2   13   13   GLU   HG2    H   1   2.49   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      77    .   2   2   13   13   GLU   HG3    H   1   2.33   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      78    .   2   2   14   14   ALA   H      H   1   7.70   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      79    .   2   2   14   14   ALA   HA     H   1   4.08   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      80    .   2   2   14   14   ALA   HB1    H   1   1.39   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      81    .   2   2   14   14   ALA   HB2    H   1   1.39   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      82    .   2   2   14   14   ALA   HB3    H   1   1.39   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      83    .   2   2   15   15   LEU   H      H   1   8.10   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      84    .   2   2   15   15   LEU   HA     H   1   3.71   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      85    .   2   2   15   15   LEU   HB2    H   1   0.89   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      86    .   2   2   15   15   LEU   HB3    H   1   0.31   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      87    .   2   2   15   15   LEU   HG     H   1   1.27   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      88    .   2   2   15   15   LEU   HD11   H   1   0.59   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      89    .   2   2   15   15   LEU   HD12   H   1   0.59   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      90    .   2   2   15   15   LEU   HD13   H   1   0.59   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      91    .   2   2   15   15   LEU   HD21   H   1   0.21   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      92    .   2   2   15   15   LEU   HD22   H   1   0.21   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      93    .   2   2   15   15   LEU   HD23   H   1   0.21   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      94    .   2   2   16   16   TYR   H      H   1   8.03   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      95    .   2   2   16   16   TYR   HA     H   1   4.40   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      96    .   2   2   16   16   TYR   HB2    H   1   3.19   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      97    .   2   2   16   16   TYR   HB3    H   1   3.22   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      98    .   2   2   16   16   TYR   HD1    H   1   7.22   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      99    .   2   2   16   16   TYR   HD2    H   1   7.22   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      100   .   2   2   16   16   TYR   HE1    H   1   6.85   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      101   .   2   2   16   16   TYR   HE2    H   1   6.85   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      102   .   2   2   17   17   LEU   H      H   1   7.71   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      103   .   2   2   17   17   LEU   HA     H   1   4.01   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      104   .   2   2   17   17   LEU   HB2    H   1   1.72   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      105   .   2   2   17   17   LEU   HB3    H   1   1.94   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      106   .   2   2   17   17   LEU   HG     H   1   1.83   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      107   .   2   2   17   17   LEU   HD11   H   1   0.84   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      108   .   2   2   17   17   LEU   HD12   H   1   0.84   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      109   .   2   2   17   17   LEU   HD13   H   1   0.84   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      110   .   2   2   17   17   LEU   HD21   H   1   0.75   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      111   .   2   2   17   17   LEU   HD22   H   1   0.75   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      112   .   2   2   17   17   LEU   HD23   H   1   0.75   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      113   .   2   2   18   18   VAL   H      H   1   8.27   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      114   .   2   2   18   18   VAL   HA     H   1   3.73   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      115   .   2   2   18   18   VAL   HB     H   1   1.99   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      116   .   2   2   18   18   VAL   HG11   H   1   1.00   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      117   .   2   2   18   18   VAL   HG12   H   1   1.00   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      118   .   2   2   18   18   VAL   HG13   H   1   1.00   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      119   .   2   2   18   18   VAL   HG21   H   1   0.89   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      120   .   2   2   18   18   VAL   HG22   H   1   0.89   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      121   .   2   2   18   18   VAL   HG23   H   1   0.89   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      122   .   2   2   19   19   CYS   H      H   1   8.75   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      123   .   2   2   19   19   CYS   HA     H   1   4.81   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      124   .   2   2   19   19   CYS   HB2    H   1   3.29   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      125   .   2   2   19   19   CYS   HB3    H   1   2.89   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      126   .   2   2   20   20   GLY   H      H   1   7.90   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      127   .   2   2   20   20   GLY   HA2    H   1   3.93   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      128   .   2   2   20   20   GLY   HA3    H   1   3.73   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      129   .   2   2   21   21   GLU   H      H   1   9.03   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      130   .   2   2   21   21   GLU   HA     H   1   4.19   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      131   .   2   2   21   21   GLU   HB2    H   1   2.21   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      132   .   2   2   21   21   GLU   HB3    H   1   2.09   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      133   .   2   2   21   21   GLU   HG2    H   1   2.39   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      134   .   2   2   21   21   GLU   HG3    H   1   2.21   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      135   .   2   2   22   22   ARG   H      H   1   8.10   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      136   .   2   2   22   22   ARG   HA     H   1   4.20   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      137   .   2   2   22   22   ARG   HB2    H   1   2.17   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      138   .   2   2   22   22   ARG   HB3    H   1   2.08   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      139   .   2   2   22   22   ARG   HG2    H   1   1.88   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      140   .   2   2   22   22   ARG   HG3    H   1   1.88   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      141   .   2   2   22   22   ARG   HD2    H   1   3.39   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      142   .   2   2   22   22   ARG   HD3    H   1   3.31   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      143   .   2   2   23   23   GLY   H      H   1   7.39   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      144   .   2   2   23   23   GLY   HA2    H   1   4.13   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      145   .   2   2   23   23   GLY   HA3    H   1   3.88   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      146   .   2   2   24   24   PHE   H      H   1   7.66   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      147   .   2   2   24   24   PHE   HA     H   1   5.30   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      148   .   2   2   24   24   PHE   HB2    H   1   3.15   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      149   .   2   2   24   24   PHE   HB3    H   1   2.92   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      150   .   2   2   24   24   PHE   HD1    H   1   6.73   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      151   .   2   2   24   24   PHE   HD2    H   1   6.73   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      152   .   2   2   24   24   PHE   HE1    H   1   7.00   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      153   .   2   2   24   24   PHE   HE2    H   1   7.00   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      154   .   2   2   24   24   PHE   HZ     H   1   7.14   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      155   .   2   2   25   25   PHE   H      H   1   8.54   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      156   .   2   2   25   25   PHE   HA     H   1   4.88   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      157   .   2   2   25   25   PHE   HB2    H   1   3.17   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      158   .   2   2   25   25   PHE   HB3    H   1   3.23   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      159   .   2   2   25   25   PHE   HD1    H   1   7.17   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      160   .   2   2   25   25   PHE   HD2    H   1   7.17   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      161   .   2   2   25   25   PHE   HE1    H   1   7.23   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      162   .   2   2   25   25   PHE   HE2    H   1   7.23   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      163   .   2   2   26   26   TYR   H      H   1   8.28   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      164   .   2   2   26   26   TYR   HA     H   1   4.62   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      165   .   2   2   26   26   TYR   HB2    H   1   3.07   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      166   .   2   2   26   26   TYR   HB3    H   1   3.00   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      167   .   2   2   26   26   TYR   HD1    H   1   7.03   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      168   .   2   2   26   26   TYR   HD2    H   1   7.03   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      169   .   2   2   26   26   TYR   HE1    H   1   6.72   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      170   .   2   2   26   26   TYR   HE2    H   1   6.72   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      171   .   2   2   27   27   THR   H      H   1   7.88   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      172   .   2   2   27   27   THR   HA     H   1   4.53   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      173   .   2   2   27   27   THR   HB     H   1   4.15   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      174   .   2   2   27   27   THR   HG21   H   1   1.25   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      175   .   2   2   27   27   THR   HG22   H   1   1.25   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      176   .   2   2   27   27   THR   HG23   H   1   1.25   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      177   .   2   2   28   28   LYS   H      H   1   8.49   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      178   .   2   2   28   28   LYS   HA     H   1   4.40   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      179   .   2   2   28   28   LYS   HB2    H   1   1.72   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      180   .   2   2   28   28   LYS   HB3    H   1   1.81   0.02   .   2   .   .   .   .   .   .   .   .   .   6204   4
      181   .   2   2   28   28   LYS   HG2    H   1   1.41   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      182   .   2   2   28   28   LYS   HG3    H   1   1.41   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      183   .   2   2   28   28   LYS   HE2    H   1   2.89   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      184   .   2   2   28   28   LYS   HE3    H   1   2.89   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      185   .   2   2   29   29   PRO   HA     H   1   4.48   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      186   .   2   2   29   29   PRO   HB2    H   1   2.29   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      187   .   2   2   29   29   PRO   HB3    H   1   2.29   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      188   .   2   2   29   29   PRO   HG2    H   1   1.95   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      189   .   2   2   29   29   PRO   HG3    H   1   1.95   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      190   .   2   2   30   30   THR   H      H   1   7.80   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      191   .   2   2   30   30   THR   HA     H   1   4.12   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      192   .   2   2   30   30   THR   HB     H   1   4.25   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      193   .   2   2   30   30   THR   HG21   H   1   1.20   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      194   .   2   2   30   30   THR   HG22   H   1   1.20   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
      195   .   2   2   30   30   THR   HG23   H   1   1.20   0.02   .   1   .   .   .   .   .   .   .   .   .   6204   4
   stop_
save_