data_51987


#######################
#  Entry information  #
#######################
save_entry_information_1
   _Entry.Sf_category                    entry_information
   _Entry.Sf_framecode                   entry_information_1
   _Entry.ID                             51987
   _Entry.Title
;
1H and 15N backbone resonance assignments of the D10N,P146A variant of beta-phosphoglucomutase (trans K145-A146 peptide bond) in a Mg-bound complex with fructose 1,6-bisphosphate
;
   _Entry.Type                           macromolecule
   _Entry.Version_type                   original
   _Entry.Submission_date                2023-06-05
   _Entry.Accession_date                 2023-06-05
   _Entry.Last_release_date              2023-06-05
   _Entry.Original_release_date          2023-06-05
   _Entry.Origination                    author
   _Entry.Format_name                    .
   _Entry.NMR_STAR_version               3.2.14.0
   _Entry.NMR_STAR_dict_location         .
   _Entry.Original_NMR_STAR_version      3.1
   _Entry.Experimental_method            NMR
   _Entry.Experimental_method_subtype    solution
   _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   Nicola     Baxter   .   J.   .   0009-0000-8292-7800   51987
      2   Jonathan   Waltho   .   P.   .   0000-0002-7402-5492   51987
   stop_

   loop_
      _Data_set.Type
      _Data_set.Count
      _Data_set.Entry_ID

      assigned_chemical_shifts   1   51987
   stop_

   loop_
      _Datum.Type
      _Datum.Count
      _Datum.Entry_ID

      '15N chemical shifts'   196   51987
      '1H chemical shifts'    196   51987
   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   .   .   2024-07-30   .   original   BMRB   .   51987
   stop_

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

      BMRB   27174   
;
1H, 15N and 13C backbone resonance assignments of the D10N variant of beta-phosphoglucomutase (cis K145-P146 peptide bond) in a MgII-bound complex with beta-glucose 1,6-bisphosphate
;
                                                                                                                                                   51987
      BMRB   27920   '1H, 15N and 13C backbone resonance assignments of the P146A variant of beta-phosphoglucomutase in its substrate-free form'   51987
      BMRB   51985   
;
1H, 15N and 13C backbone resonance assignments of the D10N variant of beta-phosphoglucomutase (cis K145-P146 peptide bond) in a Mg-bound complex with fructose 1,6-bisphosphate
;
                                                                                                                                                   51987
      BMRB   51986   
;
1H, 15N and 13C backbone resonance assignments of the D10N,P146A variant of beta-phosphoglucomutase (trans K145-A146 peptide bond) in a Mg-bound complex with fructose 1,6-bisphosphate and an additional Mg ion bound in the active site
;
                                                                                                                                                   51987
      BMRB   51988   
;
1H, 15N and 13C backbone resonance assignments of the D10N,P146A variant of beta-phosphoglucomutase (trans K145-A146 peptide bond) in a Mg-bound complex with beta-glucose 1,6-bisphosphate and an additional Mg ion bound in the active site
;
                                                                                                                                                   51987
      BMRB   51989   
;
1H, 15N and 13C backbone resonance assignments of the D10N,P146A variant of beta-phosphoglucomutase (cis K145-A146 peptide bond) in a Mg-bound complex with beta-glucose 1,6-bisphosphate
;
                                                                                                                                                   51987
      BMRB   51990   
;
1H, 15N and 13C backbone resonance assignments of the D10N,P146A variant of beta-phosphoglucomutase (trans K145-A146 peptide bond) in a Mg-bound complex with beta-glucose 1,6-bisphosphate
;
                                                                                                                                                   51987
      PDB    5OK1    
;
Crystal structure of the D10N variant of beta-phosphoglucomutase from Lactococcus lactis trapped with native beta-glucose 1,6-bisphosphate intermediate to 1.9 A resolution
;
                                                                                                                                                   51987
      PDB    6YDK    'Crystal structure of the P146A variant of beta-phosphoglucomutase from Lactococcus lactis in its substrate-free form'        51987
   stop_
save_


###############
#  Citations  #
###############
save_citations_1
   _Citation.Sf_category                  citations
   _Citation.Sf_framecode                 citations_1
   _Citation.Entry_ID                     51987
   _Citation.ID                           1
   _Citation.Name                         .
   _Citation.Class                        'entry citation'
   _Citation.CAS_abstract_code            .
   _Citation.MEDLINE_UI_code              .
   _Citation.PubMed_ID                    39068257
   _Citation.DOI                          .
   _Citation.Full_citation                .
   _Citation.Title
;
Peri active site catalysis of proline isomerisation is the molecular basis of allomorphy in beta-phosphoglucomutase
;
   _Citation.Status                       published
   _Citation.Type                         journal
   _Citation.Journal_abbrev               'Commun. Biol.'
   _Citation.Journal_name_full            'Communications biology'
   _Citation.Journal_volume               7
   _Citation.Journal_issue                1
   _Citation.Journal_ASTM                 .
   _Citation.Journal_ISSN                 2399-3642
   _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                   909
   _Citation.Page_last                    909
   _Citation.Year                         2024
   _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   F.         Cruz-Navarrete   .   A.   .   .   51987   1
      2   Nicola     Baxter           .   J.   .   .   51987   1
      3   Adam       Flinders         .   J.   .   .   51987   1
      4   Anamaria   Buzoianu         .   .    .   .   51987   1
      5   Matthew    Cliff            .   J.   .   .   51987   1
      6   Patrick    Baker            .   J.   .   .   51987   1
      7   Jonathan   Waltho           .   P.   .   .   51987   1
   stop_

   loop_
      _Citation_keyword.Keyword
      _Citation_keyword.Entry_ID
      _Citation_keyword.Citation_ID

      'Allomorphic control mechanism'   51987   1
      'NMR spectroscopy'                51987   1
      'Near-attack conformation'        51987   1
      'Phosphoryl transfer enzyme'      51987   1
      'Proline isomerisation'           51987   1
      'X-ray crystallography'           51987   1
   stop_
save_


#############################################
#  Molecular system (assembly) description  #
#############################################
save_assembly_1
   _Assembly.Sf_category                       assembly
   _Assembly.Sf_framecode                      assembly_1
   _Assembly.Entry_ID                          51987
   _Assembly.ID                                1
   _Assembly.Name                              'trans-A Mg-bound bPGM-D10N,P146A:F16BP complex'
   _Assembly.BMRB_code                         .
   _Assembly.Number_of_components              3
   _Assembly.Organic_ligands                   1
   _Assembly.Metal_ions                        1
   _Assembly.Non_standard_bonds                no
   _Assembly.Ambiguous_conformational_states   no
   _Assembly.Ambiguous_chem_comp_sites         .
   _Assembly.Molecules_in_chemical_exchange    no
   _Assembly.Paramagnetic                      no
   _Assembly.Thiol_state                       .
   _Assembly.Molecular_mass                    .
   _Assembly.Enzyme_commission_number          .
   _Assembly.Details                           'The trans-A Mg-bound bPGM-D10N,P146A:F16BP complex has a trans K145-A146 peptide bond'
   _Assembly.DB_query_date                     .
   _Assembly.DB_query_revised_last_date        .

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

      1   bPGM-D10N,P146A   1   $entity_1     .   .   yes   native   yes   no   .   enzyme                                     .   51987   1
      2   F16BP             2   $entity_FBP   .   .   no    native   no    no   .   'mimic of beta-glucose 1,6-bisphosphate'   .   51987   1
      3   Mg                3   $entity_MG    .   .   no    native   no    no   .   'catalytic Mg2+ ion'                       .   51987   1
   stop_

   loop_
      _Assembly_bio_function.Biological_function
      _Assembly_bio_function.Entry_ID
      _Assembly_bio_function.Assembly_ID


;
The trans-A Mg-bound bPGM-D10N,P146A:F16BP complex describes a near-attack conformation containing a bound cellular phosphorylating agent
;
          51987   1
   stop_
save_


    ####################################
    #  Biological polymers and ligands #
    ####################################
save_entity_1
   _Entity.Sf_category                       entity
   _Entity.Sf_framecode                      entity_1
   _Entity.Entry_ID                          51987
   _Entity.ID                                1
   _Entity.BMRB_code                         .
   _Entity.Name                              entity_1
   _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
;
MFKAVLFDLNGVITDTAEYH
FRAWKALAEEIGINGVDRQF
NEQLKGVSREDSLQKILDLA
DKKVSAEEFKELAKRKNDNY
VKMIQDVSPADVYPGILQLL
KDLRSNKIKIALASASKNGP
FLLERMNLTGYFDAIADPAE
VAASKAAPDIFIAAAHAVGV
APSESIGLEDSQAGIQAIKD
SGALPIGVGRPEDLGDDIVI
VPDTSHYTLEFLKEVWLQKQ
K
;
   _Entity.Target_identifier                 .
   _Entity.Polymer_author_defined_seq        M1-F2-K3-A4-....-K221
   _Entity.Polymer_author_seq_details        M1-F2-K3-A4-....-K221
   _Entity.Ambiguous_conformational_states   yes
   _Entity.Ambiguous_chem_comp_sites         no
   _Entity.Nstd_monomer                      no
   _Entity.Nstd_chirality                    no
   _Entity.Nstd_linkage                      no
   _Entity.Nonpolymer_comp_ID                .
   _Entity.Nonpolymer_comp_label             .
   _Entity.Number_of_monomers                221
   _Entity.Number_of_nonpolymer_components   .
   _Entity.Paramagnetic                      no
   _Entity.Thiol_state                       'not present'
   _Entity.Src_method                        .
   _Entity.Parent_entity_ID                  1
   _Entity.Fragment                          .
   _Entity.Mutation
;
D10N (residue assigned as the general acid-base)
P146A
;
   _Entity.EC_number                         'EC 5.4.2.6'
   _Entity.Calc_isoelectric_point            .
   _Entity.Formula_weight                    .
   _Entity.Formula_weight_exptl              .
   _Entity.Formula_weight_exptl_meth         .
   _Entity.Details
;
The trans-A Mg-bound bPGM-D10N,P146A:F16BP complex has a population of 28 % in the NMR sample and chemical shift assignments are described in this entry
The trans-A Mg-bound bPGM-D10N,P146A:F16BP:MgT complex has a population of 72 % in the NMR sample and is described in another entry
These complexes are in slow conformational exchange
;
   _Entity.DB_query_date                     .
   _Entity.DB_query_revised_last_date        .

   loop_
      _Entity_biological_function.Biological_function
      _Entity_biological_function.Entry_ID
      _Entity_biological_function.Entity_ID


;
Wild-type beta-phosphoglucomutase catalyses the reversible interconversion of beta-glucose 1-phosphate and glucose 6-phosphate via a beta-glucose 1,6-bisphosphate reaction intermediate
;
          51987   1
   stop_

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

      1     .   MET   .   51987   1
      2     .   PHE   .   51987   1
      3     .   LYS   .   51987   1
      4     .   ALA   .   51987   1
      5     .   VAL   .   51987   1
      6     .   LEU   .   51987   1
      7     .   PHE   .   51987   1
      8     .   ASP   .   51987   1
      9     .   LEU   .   51987   1
      10    .   ASN   .   51987   1
      11    .   GLY   .   51987   1
      12    .   VAL   .   51987   1
      13    .   ILE   .   51987   1
      14    .   THR   .   51987   1
      15    .   ASP   .   51987   1
      16    .   THR   .   51987   1
      17    .   ALA   .   51987   1
      18    .   GLU   .   51987   1
      19    .   TYR   .   51987   1
      20    .   HIS   .   51987   1
      21    .   PHE   .   51987   1
      22    .   ARG   .   51987   1
      23    .   ALA   .   51987   1
      24    .   TRP   .   51987   1
      25    .   LYS   .   51987   1
      26    .   ALA   .   51987   1
      27    .   LEU   .   51987   1
      28    .   ALA   .   51987   1
      29    .   GLU   .   51987   1
      30    .   GLU   .   51987   1
      31    .   ILE   .   51987   1
      32    .   GLY   .   51987   1
      33    .   ILE   .   51987   1
      34    .   ASN   .   51987   1
      35    .   GLY   .   51987   1
      36    .   VAL   .   51987   1
      37    .   ASP   .   51987   1
      38    .   ARG   .   51987   1
      39    .   GLN   .   51987   1
      40    .   PHE   .   51987   1
      41    .   ASN   .   51987   1
      42    .   GLU   .   51987   1
      43    .   GLN   .   51987   1
      44    .   LEU   .   51987   1
      45    .   LYS   .   51987   1
      46    .   GLY   .   51987   1
      47    .   VAL   .   51987   1
      48    .   SER   .   51987   1
      49    .   ARG   .   51987   1
      50    .   GLU   .   51987   1
      51    .   ASP   .   51987   1
      52    .   SER   .   51987   1
      53    .   LEU   .   51987   1
      54    .   GLN   .   51987   1
      55    .   LYS   .   51987   1
      56    .   ILE   .   51987   1
      57    .   LEU   .   51987   1
      58    .   ASP   .   51987   1
      59    .   LEU   .   51987   1
      60    .   ALA   .   51987   1
      61    .   ASP   .   51987   1
      62    .   LYS   .   51987   1
      63    .   LYS   .   51987   1
      64    .   VAL   .   51987   1
      65    .   SER   .   51987   1
      66    .   ALA   .   51987   1
      67    .   GLU   .   51987   1
      68    .   GLU   .   51987   1
      69    .   PHE   .   51987   1
      70    .   LYS   .   51987   1
      71    .   GLU   .   51987   1
      72    .   LEU   .   51987   1
      73    .   ALA   .   51987   1
      74    .   LYS   .   51987   1
      75    .   ARG   .   51987   1
      76    .   LYS   .   51987   1
      77    .   ASN   .   51987   1
      78    .   ASP   .   51987   1
      79    .   ASN   .   51987   1
      80    .   TYR   .   51987   1
      81    .   VAL   .   51987   1
      82    .   LYS   .   51987   1
      83    .   MET   .   51987   1
      84    .   ILE   .   51987   1
      85    .   GLN   .   51987   1
      86    .   ASP   .   51987   1
      87    .   VAL   .   51987   1
      88    .   SER   .   51987   1
      89    .   PRO   .   51987   1
      90    .   ALA   .   51987   1
      91    .   ASP   .   51987   1
      92    .   VAL   .   51987   1
      93    .   TYR   .   51987   1
      94    .   PRO   .   51987   1
      95    .   GLY   .   51987   1
      96    .   ILE   .   51987   1
      97    .   LEU   .   51987   1
      98    .   GLN   .   51987   1
      99    .   LEU   .   51987   1
      100   .   LEU   .   51987   1
      101   .   LYS   .   51987   1
      102   .   ASP   .   51987   1
      103   .   LEU   .   51987   1
      104   .   ARG   .   51987   1
      105   .   SER   .   51987   1
      106   .   ASN   .   51987   1
      107   .   LYS   .   51987   1
      108   .   ILE   .   51987   1
      109   .   LYS   .   51987   1
      110   .   ILE   .   51987   1
      111   .   ALA   .   51987   1
      112   .   LEU   .   51987   1
      113   .   ALA   .   51987   1
      114   .   SER   .   51987   1
      115   .   ALA   .   51987   1
      116   .   SER   .   51987   1
      117   .   LYS   .   51987   1
      118   .   ASN   .   51987   1
      119   .   GLY   .   51987   1
      120   .   PRO   .   51987   1
      121   .   PHE   .   51987   1
      122   .   LEU   .   51987   1
      123   .   LEU   .   51987   1
      124   .   GLU   .   51987   1
      125   .   ARG   .   51987   1
      126   .   MET   .   51987   1
      127   .   ASN   .   51987   1
      128   .   LEU   .   51987   1
      129   .   THR   .   51987   1
      130   .   GLY   .   51987   1
      131   .   TYR   .   51987   1
      132   .   PHE   .   51987   1
      133   .   ASP   .   51987   1
      134   .   ALA   .   51987   1
      135   .   ILE   .   51987   1
      136   .   ALA   .   51987   1
      137   .   ASP   .   51987   1
      138   .   PRO   .   51987   1
      139   .   ALA   .   51987   1
      140   .   GLU   .   51987   1
      141   .   VAL   .   51987   1
      142   .   ALA   .   51987   1
      143   .   ALA   .   51987   1
      144   .   SER   .   51987   1
      145   .   LYS   .   51987   1
      146   .   ALA   .   51987   1
      147   .   ALA   .   51987   1
      148   .   PRO   .   51987   1
      149   .   ASP   .   51987   1
      150   .   ILE   .   51987   1
      151   .   PHE   .   51987   1
      152   .   ILE   .   51987   1
      153   .   ALA   .   51987   1
      154   .   ALA   .   51987   1
      155   .   ALA   .   51987   1
      156   .   HIS   .   51987   1
      157   .   ALA   .   51987   1
      158   .   VAL   .   51987   1
      159   .   GLY   .   51987   1
      160   .   VAL   .   51987   1
      161   .   ALA   .   51987   1
      162   .   PRO   .   51987   1
      163   .   SER   .   51987   1
      164   .   GLU   .   51987   1
      165   .   SER   .   51987   1
      166   .   ILE   .   51987   1
      167   .   GLY   .   51987   1
      168   .   LEU   .   51987   1
      169   .   GLU   .   51987   1
      170   .   ASP   .   51987   1
      171   .   SER   .   51987   1
      172   .   GLN   .   51987   1
      173   .   ALA   .   51987   1
      174   .   GLY   .   51987   1
      175   .   ILE   .   51987   1
      176   .   GLN   .   51987   1
      177   .   ALA   .   51987   1
      178   .   ILE   .   51987   1
      179   .   LYS   .   51987   1
      180   .   ASP   .   51987   1
      181   .   SER   .   51987   1
      182   .   GLY   .   51987   1
      183   .   ALA   .   51987   1
      184   .   LEU   .   51987   1
      185   .   PRO   .   51987   1
      186   .   ILE   .   51987   1
      187   .   GLY   .   51987   1
      188   .   VAL   .   51987   1
      189   .   GLY   .   51987   1
      190   .   ARG   .   51987   1
      191   .   PRO   .   51987   1
      192   .   GLU   .   51987   1
      193   .   ASP   .   51987   1
      194   .   LEU   .   51987   1
      195   .   GLY   .   51987   1
      196   .   ASP   .   51987   1
      197   .   ASP   .   51987   1
      198   .   ILE   .   51987   1
      199   .   VAL   .   51987   1
      200   .   ILE   .   51987   1
      201   .   VAL   .   51987   1
      202   .   PRO   .   51987   1
      203   .   ASP   .   51987   1
      204   .   THR   .   51987   1
      205   .   SER   .   51987   1
      206   .   HIS   .   51987   1
      207   .   TYR   .   51987   1
      208   .   THR   .   51987   1
      209   .   LEU   .   51987   1
      210   .   GLU   .   51987   1
      211   .   PHE   .   51987   1
      212   .   LEU   .   51987   1
      213   .   LYS   .   51987   1
      214   .   GLU   .   51987   1
      215   .   VAL   .   51987   1
      216   .   TRP   .   51987   1
      217   .   LEU   .   51987   1
      218   .   GLN   .   51987   1
      219   .   LYS   .   51987   1
      220   .   GLN   .   51987   1
      221   .   LYS   .   51987   1
   stop_

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

      .   MET   1     1     51987   1
      .   PHE   2     2     51987   1
      .   LYS   3     3     51987   1
      .   ALA   4     4     51987   1
      .   VAL   5     5     51987   1
      .   LEU   6     6     51987   1
      .   PHE   7     7     51987   1
      .   ASP   8     8     51987   1
      .   LEU   9     9     51987   1
      .   ASN   10    10    51987   1
      .   GLY   11    11    51987   1
      .   VAL   12    12    51987   1
      .   ILE   13    13    51987   1
      .   THR   14    14    51987   1
      .   ASP   15    15    51987   1
      .   THR   16    16    51987   1
      .   ALA   17    17    51987   1
      .   GLU   18    18    51987   1
      .   TYR   19    19    51987   1
      .   HIS   20    20    51987   1
      .   PHE   21    21    51987   1
      .   ARG   22    22    51987   1
      .   ALA   23    23    51987   1
      .   TRP   24    24    51987   1
      .   LYS   25    25    51987   1
      .   ALA   26    26    51987   1
      .   LEU   27    27    51987   1
      .   ALA   28    28    51987   1
      .   GLU   29    29    51987   1
      .   GLU   30    30    51987   1
      .   ILE   31    31    51987   1
      .   GLY   32    32    51987   1
      .   ILE   33    33    51987   1
      .   ASN   34    34    51987   1
      .   GLY   35    35    51987   1
      .   VAL   36    36    51987   1
      .   ASP   37    37    51987   1
      .   ARG   38    38    51987   1
      .   GLN   39    39    51987   1
      .   PHE   40    40    51987   1
      .   ASN   41    41    51987   1
      .   GLU   42    42    51987   1
      .   GLN   43    43    51987   1
      .   LEU   44    44    51987   1
      .   LYS   45    45    51987   1
      .   GLY   46    46    51987   1
      .   VAL   47    47    51987   1
      .   SER   48    48    51987   1
      .   ARG   49    49    51987   1
      .   GLU   50    50    51987   1
      .   ASP   51    51    51987   1
      .   SER   52    52    51987   1
      .   LEU   53    53    51987   1
      .   GLN   54    54    51987   1
      .   LYS   55    55    51987   1
      .   ILE   56    56    51987   1
      .   LEU   57    57    51987   1
      .   ASP   58    58    51987   1
      .   LEU   59    59    51987   1
      .   ALA   60    60    51987   1
      .   ASP   61    61    51987   1
      .   LYS   62    62    51987   1
      .   LYS   63    63    51987   1
      .   VAL   64    64    51987   1
      .   SER   65    65    51987   1
      .   ALA   66    66    51987   1
      .   GLU   67    67    51987   1
      .   GLU   68    68    51987   1
      .   PHE   69    69    51987   1
      .   LYS   70    70    51987   1
      .   GLU   71    71    51987   1
      .   LEU   72    72    51987   1
      .   ALA   73    73    51987   1
      .   LYS   74    74    51987   1
      .   ARG   75    75    51987   1
      .   LYS   76    76    51987   1
      .   ASN   77    77    51987   1
      .   ASP   78    78    51987   1
      .   ASN   79    79    51987   1
      .   TYR   80    80    51987   1
      .   VAL   81    81    51987   1
      .   LYS   82    82    51987   1
      .   MET   83    83    51987   1
      .   ILE   84    84    51987   1
      .   GLN   85    85    51987   1
      .   ASP   86    86    51987   1
      .   VAL   87    87    51987   1
      .   SER   88    88    51987   1
      .   PRO   89    89    51987   1
      .   ALA   90    90    51987   1
      .   ASP   91    91    51987   1
      .   VAL   92    92    51987   1
      .   TYR   93    93    51987   1
      .   PRO   94    94    51987   1
      .   GLY   95    95    51987   1
      .   ILE   96    96    51987   1
      .   LEU   97    97    51987   1
      .   GLN   98    98    51987   1
      .   LEU   99    99    51987   1
      .   LEU   100   100   51987   1
      .   LYS   101   101   51987   1
      .   ASP   102   102   51987   1
      .   LEU   103   103   51987   1
      .   ARG   104   104   51987   1
      .   SER   105   105   51987   1
      .   ASN   106   106   51987   1
      .   LYS   107   107   51987   1
      .   ILE   108   108   51987   1
      .   LYS   109   109   51987   1
      .   ILE   110   110   51987   1
      .   ALA   111   111   51987   1
      .   LEU   112   112   51987   1
      .   ALA   113   113   51987   1
      .   SER   114   114   51987   1
      .   ALA   115   115   51987   1
      .   SER   116   116   51987   1
      .   LYS   117   117   51987   1
      .   ASN   118   118   51987   1
      .   GLY   119   119   51987   1
      .   PRO   120   120   51987   1
      .   PHE   121   121   51987   1
      .   LEU   122   122   51987   1
      .   LEU   123   123   51987   1
      .   GLU   124   124   51987   1
      .   ARG   125   125   51987   1
      .   MET   126   126   51987   1
      .   ASN   127   127   51987   1
      .   LEU   128   128   51987   1
      .   THR   129   129   51987   1
      .   GLY   130   130   51987   1
      .   TYR   131   131   51987   1
      .   PHE   132   132   51987   1
      .   ASP   133   133   51987   1
      .   ALA   134   134   51987   1
      .   ILE   135   135   51987   1
      .   ALA   136   136   51987   1
      .   ASP   137   137   51987   1
      .   PRO   138   138   51987   1
      .   ALA   139   139   51987   1
      .   GLU   140   140   51987   1
      .   VAL   141   141   51987   1
      .   ALA   142   142   51987   1
      .   ALA   143   143   51987   1
      .   SER   144   144   51987   1
      .   LYS   145   145   51987   1
      .   ALA   146   146   51987   1
      .   ALA   147   147   51987   1
      .   PRO   148   148   51987   1
      .   ASP   149   149   51987   1
      .   ILE   150   150   51987   1
      .   PHE   151   151   51987   1
      .   ILE   152   152   51987   1
      .   ALA   153   153   51987   1
      .   ALA   154   154   51987   1
      .   ALA   155   155   51987   1
      .   HIS   156   156   51987   1
      .   ALA   157   157   51987   1
      .   VAL   158   158   51987   1
      .   GLY   159   159   51987   1
      .   VAL   160   160   51987   1
      .   ALA   161   161   51987   1
      .   PRO   162   162   51987   1
      .   SER   163   163   51987   1
      .   GLU   164   164   51987   1
      .   SER   165   165   51987   1
      .   ILE   166   166   51987   1
      .   GLY   167   167   51987   1
      .   LEU   168   168   51987   1
      .   GLU   169   169   51987   1
      .   ASP   170   170   51987   1
      .   SER   171   171   51987   1
      .   GLN   172   172   51987   1
      .   ALA   173   173   51987   1
      .   GLY   174   174   51987   1
      .   ILE   175   175   51987   1
      .   GLN   176   176   51987   1
      .   ALA   177   177   51987   1
      .   ILE   178   178   51987   1
      .   LYS   179   179   51987   1
      .   ASP   180   180   51987   1
      .   SER   181   181   51987   1
      .   GLY   182   182   51987   1
      .   ALA   183   183   51987   1
      .   LEU   184   184   51987   1
      .   PRO   185   185   51987   1
      .   ILE   186   186   51987   1
      .   GLY   187   187   51987   1
      .   VAL   188   188   51987   1
      .   GLY   189   189   51987   1
      .   ARG   190   190   51987   1
      .   PRO   191   191   51987   1
      .   GLU   192   192   51987   1
      .   ASP   193   193   51987   1
      .   LEU   194   194   51987   1
      .   GLY   195   195   51987   1
      .   ASP   196   196   51987   1
      .   ASP   197   197   51987   1
      .   ILE   198   198   51987   1
      .   VAL   199   199   51987   1
      .   ILE   200   200   51987   1
      .   VAL   201   201   51987   1
      .   PRO   202   202   51987   1
      .   ASP   203   203   51987   1
      .   THR   204   204   51987   1
      .   SER   205   205   51987   1
      .   HIS   206   206   51987   1
      .   TYR   207   207   51987   1
      .   THR   208   208   51987   1
      .   LEU   209   209   51987   1
      .   GLU   210   210   51987   1
      .   PHE   211   211   51987   1
      .   LEU   212   212   51987   1
      .   LYS   213   213   51987   1
      .   GLU   214   214   51987   1
      .   VAL   215   215   51987   1
      .   TRP   216   216   51987   1
      .   LEU   217   217   51987   1
      .   GLN   218   218   51987   1
      .   LYS   219   219   51987   1
      .   GLN   220   220   51987   1
      .   LYS   221   221   51987   1
   stop_
save_

save_entity_FBP
   _Entity.Sf_category                       entity
   _Entity.Sf_framecode                      entity_FBP
   _Entity.Entry_ID                          51987
   _Entity.ID                                2
   _Entity.BMRB_code                         FBP
   _Entity.Name                              entity_FBP
   _Entity.Type                              non-polymer
   _Entity.Polymer_common_type               .
   _Entity.Polymer_type                      .
   _Entity.Polymer_type_details              .
   _Entity.Polymer_strand_ID                 .
   _Entity.Polymer_seq_one_letter_code_can   .
   _Entity.Polymer_seq_one_letter_code       .
   _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                FBP
   _Entity.Nonpolymer_comp_label             $chem_comp_FBP
   _Entity.Number_of_monomers                .
   _Entity.Number_of_nonpolymer_components   1
   _Entity.Paramagnetic                      .
   _Entity.Thiol_state                       .
   _Entity.Src_method                        .
   _Entity.Parent_entity_ID                  2
   _Entity.Fragment                          .
   _Entity.Mutation                          .
   _Entity.EC_number                         .
   _Entity.Calc_isoelectric_point            .
   _Entity.Formula_weight                    340.116
   _Entity.Formula_weight_exptl              .
   _Entity.Formula_weight_exptl_meth         .
   _Entity.Details                           .
   _Entity.DB_query_date                     .
   _Entity.DB_query_revised_last_date        .

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

      BETA-FRUCTOSE-1,6-DIPHOSPHATE   BMRB   51987   2
   stop_

   loop_
      _Entity_systematic_name.Name
      _Entity_systematic_name.Naming_system
      _Entity_systematic_name.Entry_ID
      _Entity_systematic_name.Entity_ID

      BETA-FRUCTOSE-1,6-DIPHOSPHATE   BMRB                  51987   2
      FBP                             'Three letter code'   51987   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   1   FBP   $chem_comp_FBP   51987   2
   stop_
save_

save_entity_MG
   _Entity.Sf_category                       entity
   _Entity.Sf_framecode                      entity_MG
   _Entity.Entry_ID                          51987
   _Entity.ID                                3
   _Entity.BMRB_code                         MG
   _Entity.Name                              entity_MG
   _Entity.Type                              non-polymer
   _Entity.Polymer_common_type               .
   _Entity.Polymer_type                      .
   _Entity.Polymer_type_details              .
   _Entity.Polymer_strand_ID                 .
   _Entity.Polymer_seq_one_letter_code_can   .
   _Entity.Polymer_seq_one_letter_code       .
   _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                MG
   _Entity.Nonpolymer_comp_label             $chem_comp_MG
   _Entity.Number_of_monomers                .
   _Entity.Number_of_nonpolymer_components   1
   _Entity.Paramagnetic                      .
   _Entity.Thiol_state                       .
   _Entity.Src_method                        .
   _Entity.Parent_entity_ID                  3
   _Entity.Fragment                          .
   _Entity.Mutation                          .
   _Entity.EC_number                         .
   _Entity.Calc_isoelectric_point            .
   _Entity.Formula_weight                    24.305
   _Entity.Formula_weight_exptl              .
   _Entity.Formula_weight_exptl_meth         .
   _Entity.Details                           .
   _Entity.DB_query_date                     .
   _Entity.DB_query_revised_last_date        .

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

      'MAGNESIUM ION'   BMRB   51987   3
   stop_

   loop_
      _Entity_systematic_name.Name
      _Entity_systematic_name.Naming_system
      _Entity_systematic_name.Entry_ID
      _Entity_systematic_name.Entity_ID

      'MAGNESIUM ION'   BMRB                  51987   3
      MG                'Three letter code'   51987   3
   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   1   MG   $chem_comp_MG   51987   3
   stop_
save_


    ####################
    #  Natural source  #
    ####################
save_natural_source_1
   _Entity_natural_src_list.Sf_category    natural_source
   _Entity_natural_src_list.Sf_framecode   natural_source_1
   _Entity_natural_src_list.Entry_ID       51987
   _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   $entity_1   .   1358   organism   .   'Lactococcus lactis'   'Lactococcus lactis'   .   .   Bacteria   .   Lactococcus   lactis   'subsp. lactis Il1403'   .   .   .   .   .   .   .   .   .   .   pgmB   .   51987   1
   stop_
save_


    #########################
    #  Experimental source  #
    #########################
save_experimental_source_1
   _Entity_experimental_src_list.Sf_category    experimental_source
   _Entity_experimental_src_list.Sf_framecode   experimental_source_1
   _Entity_experimental_src_list.Entry_ID       51987
   _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   $entity_1   .   'recombinant technology'   'Escherichia coli'   .   .   .   Escherichia   coli   'Escherichia coli BL21(DE3)'   .   .   plasmid   .   .   pET-22b(+)   .   .   .   51987   1
   stop_
save_


    #################################
    #  Polymer residues and ligands #
    #################################
save_chem_comp_FBP
   _Chem_comp.Sf_category                       chem_comp
   _Chem_comp.Sf_framecode                      chem_comp_FBP
   _Chem_comp.Entry_ID                          51987
   _Chem_comp.ID                                FBP
   _Chem_comp.Provenance                        PDB
   _Chem_comp.Name                              BETA-FRUCTOSE-1,6-DIPHOSPHATE
   _Chem_comp.Type                              SACCHARIDE
   _Chem_comp.BMRB_code                         FBP
   _Chem_comp.PDB_code                          FBP
   _Chem_comp.Ambiguous_flag                    no
   _Chem_comp.Initial_date                      2020-07-10
   _Chem_comp.Modified_date                     2020-07-10
   _Chem_comp.Release_status                    REL
   _Chem_comp.Replaced_by                       .
   _Chem_comp.Replaces                          BFP
   _Chem_comp.One_letter_code                   .
   _Chem_comp.Three_letter_code                 FBP
   _Chem_comp.Number_atoms_all                  34
   _Chem_comp.Number_atoms_nh                   20
   _Chem_comp.Atom_nomenclature_source          .
   _Chem_comp.PubChem_code                      .
   _Chem_comp.Subcomponent_list                 .
   _Chem_comp.InChI_code
;
InChI=1S/C6H14O12P2/c7-4-3(1-16-19(10,11)12)18-6(9,5(4)8)2-17-20(13,14)15/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4-,5+,6-/m1/s1
;
   _Chem_comp.Mon_nstd_flag                     no
   _Chem_comp.Mon_nstd_class                    .
   _Chem_comp.Mon_nstd_details                  .
   _Chem_comp.Mon_nstd_parent                   .
   _Chem_comp.Mon_nstd_parent_comp_ID           .
   _Chem_comp.Std_deriv_one_letter_code         .
   _Chem_comp.Std_deriv_three_letter_code       .
   _Chem_comp.Std_deriv_BMRB_code               .
   _Chem_comp.Std_deriv_PDB_code                .
   _Chem_comp.Std_deriv_chem_comp_name          .
   _Chem_comp.Synonyms                          FRUCTOSE-1,6-BISPHOSPHATE
   _Chem_comp.Formal_charge                     0
   _Chem_comp.Paramagnetic                      .
   _Chem_comp.Aromatic                          no
   _Chem_comp.Formula                           'C6 H14 O12 P2'
   _Chem_comp.Formula_weight                    340.116
   _Chem_comp.Formula_mono_iso_wt_nat           .
   _Chem_comp.Formula_mono_iso_wt_13C           .
   _Chem_comp.Formula_mono_iso_wt_15N           .
   _Chem_comp.Formula_mono_iso_wt_13C_15N       .
   _Chem_comp.Image_file_name                   .
   _Chem_comp.Image_file_format                 .
   _Chem_comp.Topo_file_name                    .
   _Chem_comp.Topo_file_format                  .
   _Chem_comp.Struct_file_name                  .
   _Chem_comp.Struct_file_format                .
   _Chem_comp.Stereochem_param_file_name        .
   _Chem_comp.Stereochem_param_file_format      .
   _Chem_comp.Model_details                     .
   _Chem_comp.Model_erf                         .
   _Chem_comp.Model_source                      .
   _Chem_comp.Model_coordinates_details         .
   _Chem_comp.Model_coordinates_missing_flag    no
   _Chem_comp.Ideal_coordinates_details         .
   _Chem_comp.Ideal_coordinates_missing_flag    no
   _Chem_comp.Model_coordinates_db_code         1A5Z
   _Chem_comp.Processing_site                   EBI
   _Chem_comp.Vendor                            .
   _Chem_comp.Vendor_product_code               .
   _Chem_comp.Details                           .
   _Chem_comp.DB_query_date                     .
   _Chem_comp.DB_last_query_revised_last_date   .

   loop_
      _Chem_comp_descriptor.Descriptor
      _Chem_comp_descriptor.Type
      _Chem_comp_descriptor.Program
      _Chem_comp_descriptor.Program_version
      _Chem_comp_descriptor.Entry_ID
      _Chem_comp_descriptor.Comp_ID

      C(C1C(C(C(O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O                    SMILES             'OpenEye OEToolkits'   1.5.0   51987   FBP
      C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O   SMILES_CANONICAL   'OpenEye OEToolkits'   1.5.0   51987   FBP

;
InChI=1S/C6H14O12P2/c7-4-3(1-16-19(10,11)12)18-6(9,5(4)8)2-17-20(13,14)15/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4-,5+,6-/m1/s1
;
                                                                    InChI              InChI                  1.03    51987   FBP
      O=P(O)(O)OCC1OC(O)(COP(=O)(O)O)C(O)C1O                        SMILES             ACDLabs                10.04   51987   FBP
      O[C@H]1[C@H](O)[C@@](O)(CO[P](O)(O)=O)O[C@@H]1CO[P](O)(O)=O   SMILES_CANONICAL   CACTVS                 3.341   51987   FBP
      O[CH]1[CH](O)[C](O)(CO[P](O)(O)=O)O[CH]1CO[P](O)(O)=O         SMILES             CACTVS                 3.341   51987   FBP
      RNBGYGVWRKECFJ-ARQDHWQXSA-N                                   InChIKey           InChI                  1.03    51987   FBP
   stop_

   loop_
      _Chem_comp_identifier.Identifier
      _Chem_comp_identifier.Type
      _Chem_comp_identifier.Program
      _Chem_comp_identifier.Program_version
      _Chem_comp_identifier.Entry_ID
      _Chem_comp_identifier.Comp_ID

      1,6-di-O-phosphono-beta-D-fructofuranose                                                          'SYSTEMATIC NAME'   ACDLabs                10.04   51987   FBP
      '[(2R,3S,4S,5R)-2,3,4-trihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]methyl dihydrogen phosphate'   'SYSTEMATIC NAME'   'OpenEye OEToolkits'   1.5.0   51987   FBP
   stop_

   loop_
      _Chem_comp_atom.Atom_ID
      _Chem_comp_atom.BMRB_code
      _Chem_comp_atom.PDB_atom_ID
      _Chem_comp_atom.Alt_atom_ID
      _Chem_comp_atom.Auth_atom_ID
      _Chem_comp_atom.Type_symbol
      _Chem_comp_atom.Isotope_number
      _Chem_comp_atom.Chirality
      _Chem_comp_atom.Stereo_config
      _Chem_comp_atom.Charge
      _Chem_comp_atom.Partial_charge
      _Chem_comp_atom.Oxidation_number
      _Chem_comp_atom.Unpaired_electron_number
      _Chem_comp_atom.Align
      _Chem_comp_atom.Aromatic_flag
      _Chem_comp_atom.Leaving_atom_flag
      _Chem_comp_atom.Substruct_code
      _Chem_comp_atom.Ionizable
      _Chem_comp_atom.Drawing_2D_coord_x
      _Chem_comp_atom.Drawing_2D_coord_y
      _Chem_comp_atom.Model_Cartn_x
      _Chem_comp_atom.Model_Cartn_x_esd
      _Chem_comp_atom.Model_Cartn_y
      _Chem_comp_atom.Model_Cartn_y_esd
      _Chem_comp_atom.Model_Cartn_z
      _Chem_comp_atom.Model_Cartn_z_esd
      _Chem_comp_atom.Model_Cartn_x_ideal
      _Chem_comp_atom.Model_Cartn_y_ideal
      _Chem_comp_atom.Model_Cartn_z_ideal
      _Chem_comp_atom.PDBX_ordinal
      _Chem_comp_atom.Details
      _Chem_comp_atom.Entry_ID
      _Chem_comp_atom.Comp_ID

      P1     P1     P1     P1     .   P   .   .   N   0   .   .   .   1   N   N   .   .   .   .   99.925    .   23.147   .   35.799   .   -1.337   0.220    3.937    1    .   51987   FBP
      O1P    O1P    O1P    O1P    .   O   .   .   N   0   .   .   .   1   N   N   .   .   .   .   100.069   .   22.491   .   34.416   .   -1.479   1.676    3.719    2    .   51987   FBP
      O2P    O2P    O2P    O2P    .   O   .   .   N   0   .   .   .   1   N   N   .   .   .   .   99.164    .   22.339   .   36.736   .   -2.773   -0.411   4.298    3    .   51987   FBP
      O3P    O3P    O3P    O3P    .   O   .   .   N   0   .   .   .   1   N   N   .   .   .   .   99.436    .   24.517   .   35.475   .   -0.315   -0.043   5.153    4    .   51987   FBP
      O1     O1     O1     O1     .   O   .   .   N   0   .   .   .   1   N   N   .   .   .   .   101.330   .   23.234   .   36.357   .   -0.768   -0.470   2.599    5    .   51987   FBP
      C1     C1     C1     C1     .   C   .   .   N   0   .   .   .   1   N   N   .   .   .   .   102.372   .   23.619   .   35.433   .   0.501    0.129    2.333    6    .   51987   FBP
      C2     C2     C2     C2     .   C   .   .   R   0   .   .   .   1   N   N   .   .   .   .   103.602   .   23.761   .   36.271   .   1.099    -0.485   1.066    7    .   51987   FBP
      O2     O2     O2     O2     .   O   .   .   N   0   .   .   .   1   N   Y   .   .   .   .   103.276   .   24.731   .   37.201   .   1.251    -1.896   1.237    8    .   51987   FBP
      C3     C3     C3     C3     .   C   .   .   S   0   .   .   .   1   N   N   .   .   .   .   104.860   .   24.229   .   35.485   .   2.472    0.156    0.771    9    .   51987   FBP
      O3     O3     O3     O3     .   O   .   .   N   0   .   .   .   1   N   N   .   .   .   .   104.641   .   25.561   .   34.956   .   3.538    -0.695   1.194    10   .   51987   FBP
      C4     C4     C4     C4     .   C   .   .   S   0   .   .   .   1   N   N   .   .   .   .   105.927   .   24.042   .   36.590   .   2.450    0.284    -0.776   11   .   51987   FBP
      O4     O4     O4     O4     .   O   .   .   N   0   .   .   .   1   N   N   .   .   .   .   107.308   .   24.188   .   36.165   .   3.263    1.375    -1.214   12   .   51987   FBP
      C5     C5     C5     C5     .   C   .   .   R   0   .   .   .   1   N   N   .   .   .   .   105.502   .   22.627   .   37.184   .   0.948    0.572    -1.027   13   .   51987   FBP
      O5     O5     O5     O5     .   O   .   .   N   0   .   .   .   1   N   N   .   .   .   .   104.024   .   22.526   .   36.940   .   0.247    -0.220   -0.054   14   .   51987   FBP
      C6     C6     C6     C6     .   C   .   .   N   0   .   .   .   1   N   N   .   .   .   .   105.781   .   22.568   .   38.676   .   0.551    0.147    -2.442   15   .   51987   FBP
      O6     O6     O6     O6     .   O   .   .   N   0   .   .   .   1   N   N   .   .   .   .   105.415   .   21.296   .   39.390   .   -0.849   0.361    -2.628   16   .   51987   FBP
      P2     P2     P2     P2     .   P   .   .   N   0   .   .   .   1   N   N   .   .   .   .   106.213   .   20.006   .   39.458   .   -1.195   -0.103   -4.130   17   .   51987   FBP
      O4P    O4P    O4P    O4P    .   O   .   .   N   0   .   .   .   1   N   N   .   .   .   .   107.448   .   20.270   .   38.657   .   -0.856   -1.534   -4.294   18   .   51987   FBP
      O5P    O5P    O5P    O5P    .   O   .   .   N   0   .   .   .   1   N   N   .   .   .   .   105.202   .   19.056   .   38.878   .   -2.766   0.111    -4.410   19   .   51987   FBP
      O6P    O6P    O6P    O6P    .   O   .   .   N   0   .   .   .   1   N   N   .   .   .   .   106.582   .   19.621   .   40.837   .   -0.339   0.773    -5.174   20   .   51987   FBP
      HOP2   HOP2   HOP2   2HOP   .   H   .   .   N   0   .   .   .   0   N   N   .   .   .   .   99.075    .   22.744   .   37.590   .   -3.078   0.028    5.104    21   .   51987   FBP
      HOP3   HOP3   HOP3   3HOP   .   H   .   .   N   0   .   .   .   0   N   N   .   .   .   .   99.347    .   24.922   .   36.329   .   -0.251   -1.002   5.262    22   .   51987   FBP
      H11    H11    H11    1H1    .   H   .   .   N   0   .   .   .   1   N   N   .   .   .   .   102.491   .   22.921   .   34.571   .   1.170    -0.049   3.174    23   .   51987   FBP
      H12    H12    H12    2H1    .   H   .   .   N   0   .   .   .   1   N   N   .   .   .   .   102.128   .   24.525   .   34.831   .   0.373    1.202    2.190    24   .   51987   FBP
      HO2    HO2    HO2    HO2    .   H   .   .   N   0   .   .   .   1   N   N   .   .   .   .   104.057   .   24.821   .   37.733   .   0.370    -2.251   1.418    25   .   51987   FBP
      H3     H3     H3     H3     .   H   .   .   N   0   .   .   .   1   N   N   .   .   .   .   105.154   .   23.688   .   34.555   .   2.551    1.136    1.240    26   .   51987   FBP
      HO3    HO3    HO3    HO3    .   H   .   .   N   0   .   .   .   1   N   N   .   .   .   .   105.409   .   25.846   .   34.475   .   4.361    -0.280   0.902    27   .   51987   FBP
      H4     H4     H4     H4     .   H   .   .   N   0   .   .   .   1   N   N   .   .   .   .   105.933   .   24.850   .   37.357   .   2.756    -0.646   -1.252   28   .   51987   FBP
      HO4    HO4    HO4    HO4    .   H   .   .   N   0   .   .   .   1   N   N   .   .   .   .   107.963   .   24.073   .   36.843   .   4.175    1.156    -0.979   29   .   51987   FBP
      H5     H5     H5     H5     .   H   .   .   N   0   .   .   .   1   N   N   .   .   .   .   106.070   .   21.793   .   36.708   .   0.736    1.630    -0.876   30   .   51987   FBP
      H61    H61    H61    1H6    .   H   .   .   N   0   .   .   .   1   N   N   .   .   .   .   106.854   .   22.803   .   38.863   .   1.108    0.739    -3.168   31   .   51987   FBP
      H62    H62    H62    2H6    .   H   .   .   N   0   .   .   .   1   N   N   .   .   .   .   105.289   .   23.432   .   39.180   .   0.779    -0.908   -2.582   32   .   51987   FBP
      HOP5   HOP5   HOP5   5HOP   .   H   .   .   N   0   .   .   .   0   N   N   .   .   .   .   105.701   .   18.248   .   38.920   .   -2.930   -0.178   -5.318   33   .   51987   FBP
      HOP6   HOP6   HOP6   6HOP   .   H   .   .   N   0   .   .   .   0   N   N   .   .   .   .   107.081   .   18.813   .   40.879   .   -0.589   1.697    -5.035   34   .   51987   FBP
   stop_

   loop_
      _Chem_comp_bond.ID
      _Chem_comp_bond.Type
      _Chem_comp_bond.Value_order
      _Chem_comp_bond.Atom_ID_1
      _Chem_comp_bond.Atom_ID_2
      _Chem_comp_bond.Aromatic_flag
      _Chem_comp_bond.Stereo_config
      _Chem_comp_bond.Ordinal
      _Chem_comp_bond.Details
      _Chem_comp_bond.Entry_ID
      _Chem_comp_bond.Comp_ID

      1    .   DOUB   P1    O1P    N   N   1    .   51987   FBP
      2    .   SING   P1    O2P    N   N   2    .   51987   FBP
      3    .   SING   P1    O3P    N   N   3    .   51987   FBP
      4    .   SING   P1    O1     N   N   4    .   51987   FBP
      5    .   SING   O2P   HOP2   N   N   5    .   51987   FBP
      6    .   SING   O3P   HOP3   N   N   6    .   51987   FBP
      7    .   SING   O1    C1     N   N   7    .   51987   FBP
      8    .   SING   C1    C2     N   N   8    .   51987   FBP
      9    .   SING   C1    H11    N   N   9    .   51987   FBP
      10   .   SING   C1    H12    N   N   10   .   51987   FBP
      11   .   SING   C2    O2     N   N   11   .   51987   FBP
      12   .   SING   C2    C3     N   N   12   .   51987   FBP
      13   .   SING   C2    O5     N   N   13   .   51987   FBP
      14   .   SING   O2    HO2    N   N   14   .   51987   FBP
      15   .   SING   C3    O3     N   N   15   .   51987   FBP
      16   .   SING   C3    C4     N   N   16   .   51987   FBP
      17   .   SING   C3    H3     N   N   17   .   51987   FBP
      18   .   SING   O3    HO3    N   N   18   .   51987   FBP
      19   .   SING   C4    O4     N   N   19   .   51987   FBP
      20   .   SING   C4    C5     N   N   20   .   51987   FBP
      21   .   SING   C4    H4     N   N   21   .   51987   FBP
      22   .   SING   O4    HO4    N   N   22   .   51987   FBP
      23   .   SING   C5    O5     N   N   23   .   51987   FBP
      24   .   SING   C5    C6     N   N   24   .   51987   FBP
      25   .   SING   C5    H5     N   N   25   .   51987   FBP
      26   .   SING   C6    O6     N   N   26   .   51987   FBP
      27   .   SING   C6    H61    N   N   27   .   51987   FBP
      28   .   SING   C6    H62    N   N   28   .   51987   FBP
      29   .   SING   O6    P2     N   N   29   .   51987   FBP
      30   .   DOUB   P2    O4P    N   N   30   .   51987   FBP
      31   .   SING   P2    O5P    N   N   31   .   51987   FBP
      32   .   SING   P2    O6P    N   N   32   .   51987   FBP
      33   .   SING   O5P   HOP5   N   N   33   .   51987   FBP
      34   .   SING   O6P   HOP6   N   N   34   .   51987   FBP
   stop_
save_

save_chem_comp_MG
   _Chem_comp.Sf_category                       chem_comp
   _Chem_comp.Sf_framecode                      chem_comp_MG
   _Chem_comp.Entry_ID                          51987
   _Chem_comp.ID                                MG
   _Chem_comp.Provenance                        PDB
   _Chem_comp.Name                              'MAGNESIUM ION'
   _Chem_comp.Type                              NON-POLYMER
   _Chem_comp.BMRB_code                         MG
   _Chem_comp.PDB_code                          MG
   _Chem_comp.Ambiguous_flag                    no
   _Chem_comp.Initial_date                      2020-07-10
   _Chem_comp.Modified_date                     2020-07-10
   _Chem_comp.Release_status                    REL
   _Chem_comp.Replaced_by                       .
   _Chem_comp.Replaces                          .
   _Chem_comp.One_letter_code                   .
   _Chem_comp.Three_letter_code                 MG
   _Chem_comp.Number_atoms_all                  1
   _Chem_comp.Number_atoms_nh                   1
   _Chem_comp.Atom_nomenclature_source          .
   _Chem_comp.PubChem_code                      .
   _Chem_comp.Subcomponent_list                 .
   _Chem_comp.InChI_code                        InChI=1S/Mg/q+2
   _Chem_comp.Mon_nstd_flag                     no
   _Chem_comp.Mon_nstd_class                    .
   _Chem_comp.Mon_nstd_details                  .
   _Chem_comp.Mon_nstd_parent                   .
   _Chem_comp.Mon_nstd_parent_comp_ID           .
   _Chem_comp.Std_deriv_one_letter_code         .
   _Chem_comp.Std_deriv_three_letter_code       .
   _Chem_comp.Std_deriv_BMRB_code               .
   _Chem_comp.Std_deriv_PDB_code                .
   _Chem_comp.Std_deriv_chem_comp_name          .
   _Chem_comp.Synonyms                          .
   _Chem_comp.Formal_charge                     2
   _Chem_comp.Paramagnetic                      .
   _Chem_comp.Aromatic                          no
   _Chem_comp.Formula                           Mg
   _Chem_comp.Formula_weight                    24.305
   _Chem_comp.Formula_mono_iso_wt_nat           .
   _Chem_comp.Formula_mono_iso_wt_13C           .
   _Chem_comp.Formula_mono_iso_wt_15N           .
   _Chem_comp.Formula_mono_iso_wt_13C_15N       .
   _Chem_comp.Image_file_name                   .
   _Chem_comp.Image_file_format                 .
   _Chem_comp.Topo_file_name                    .
   _Chem_comp.Topo_file_format                  .
   _Chem_comp.Struct_file_name                  .
   _Chem_comp.Struct_file_format                .
   _Chem_comp.Stereochem_param_file_name        .
   _Chem_comp.Stereochem_param_file_format      .
   _Chem_comp.Model_details                     .
   _Chem_comp.Model_erf                         .
   _Chem_comp.Model_source                      .
   _Chem_comp.Model_coordinates_details         .
   _Chem_comp.Model_coordinates_missing_flag    no
   _Chem_comp.Ideal_coordinates_details         .
   _Chem_comp.Ideal_coordinates_missing_flag    no
   _Chem_comp.Model_coordinates_db_code         .
   _Chem_comp.Processing_site                   PDBJ
   _Chem_comp.Vendor                            .
   _Chem_comp.Vendor_product_code               .
   _Chem_comp.Details                           .
   _Chem_comp.DB_query_date                     .
   _Chem_comp.DB_last_query_revised_last_date   .

   loop_
      _Chem_comp_descriptor.Descriptor
      _Chem_comp_descriptor.Type
      _Chem_comp_descriptor.Program
      _Chem_comp_descriptor.Program_version
      _Chem_comp_descriptor.Entry_ID
      _Chem_comp_descriptor.Comp_ID

      InChI=1S/Mg/q+2               InChI              InChI                  1.03    51987   MG
      JLVVSXFLKOJNIY-UHFFFAOYSA-N   InChIKey           InChI                  1.03    51987   MG
      [Mg++]                        SMILES             CACTVS                 3.341   51987   MG
      [Mg++]                        SMILES_CANONICAL   CACTVS                 3.341   51987   MG
      [Mg+2]                        SMILES             ACDLabs                10.04   51987   MG
      [Mg+2]                        SMILES             'OpenEye OEToolkits'   1.5.0   51987   MG
      [Mg+2]                        SMILES_CANONICAL   'OpenEye OEToolkits'   1.5.0   51987   MG
   stop_

   loop_
      _Chem_comp_identifier.Identifier
      _Chem_comp_identifier.Type
      _Chem_comp_identifier.Program
      _Chem_comp_identifier.Program_version
      _Chem_comp_identifier.Entry_ID
      _Chem_comp_identifier.Comp_ID

      magnesium                'SYSTEMATIC NAME'   ACDLabs                10.04   51987   MG
      'magnesium(+2) cation'   'SYSTEMATIC NAME'   'OpenEye OEToolkits'   1.5.0   51987   MG
   stop_

   loop_
      _Chem_comp_atom.Atom_ID
      _Chem_comp_atom.BMRB_code
      _Chem_comp_atom.PDB_atom_ID
      _Chem_comp_atom.Alt_atom_ID
      _Chem_comp_atom.Auth_atom_ID
      _Chem_comp_atom.Type_symbol
      _Chem_comp_atom.Isotope_number
      _Chem_comp_atom.Chirality
      _Chem_comp_atom.Stereo_config
      _Chem_comp_atom.Charge
      _Chem_comp_atom.Partial_charge
      _Chem_comp_atom.Oxidation_number
      _Chem_comp_atom.Unpaired_electron_number
      _Chem_comp_atom.Align
      _Chem_comp_atom.Aromatic_flag
      _Chem_comp_atom.Leaving_atom_flag
      _Chem_comp_atom.Substruct_code
      _Chem_comp_atom.Ionizable
      _Chem_comp_atom.Drawing_2D_coord_x
      _Chem_comp_atom.Drawing_2D_coord_y
      _Chem_comp_atom.Model_Cartn_x
      _Chem_comp_atom.Model_Cartn_x_esd
      _Chem_comp_atom.Model_Cartn_y
      _Chem_comp_atom.Model_Cartn_y_esd
      _Chem_comp_atom.Model_Cartn_z
      _Chem_comp_atom.Model_Cartn_z_esd
      _Chem_comp_atom.Model_Cartn_x_ideal
      _Chem_comp_atom.Model_Cartn_y_ideal
      _Chem_comp_atom.Model_Cartn_z_ideal
      _Chem_comp_atom.PDBX_ordinal
      _Chem_comp_atom.Details
      _Chem_comp_atom.Entry_ID
      _Chem_comp_atom.Comp_ID

      MG   MG   MG   MG   .   MG   .   .   N   2   .   .   .   0   N   N   .   .   .   .   0.000   .   0.000   .   0.000   .   0.000   0.000   0.000   1   .   51987   MG
   stop_
save_


#####################################
#  Sample contents and methodology  #
#####################################
	 
    ########################
    #  Sample description  #
    ########################
save_sample_1
   _Sample.Sf_category                      sample
   _Sample.Sf_framecode                     sample_1
   _Sample.Entry_ID                         51987
   _Sample.ID                               1
   _Sample.Name                             '2H 13C 15N sample'
   _Sample.Type                             solution
   _Sample.Sub_type                         .
   _Sample.Details                          .
   _Sample.Aggregate_sample_number          1
   _Sample.Solvent_system                   '90% H2O/10% D2O'
   _Sample.Preparation_date                 .
   _Sample.Preparation_expiration_date      .
   _Sample.Polycrystallization_protocol     .
   _Sample.Single_crystal_protocol          .
   _Sample.Crystal_grow_apparatus           .
   _Sample.Crystal_grow_atmosphere          .
   _Sample.Crystal_grow_details             .
   _Sample.Crystal_grow_method              .
   _Sample.Crystal_grow_method_cit_ID       .
   _Sample.Crystal_grow_pH                  .
   _Sample.Crystal_grow_pH_range            .
   _Sample.Crystal_grow_pressure            .
   _Sample.Crystal_grow_pressure_esd        .
   _Sample.Crystal_grow_seeding             .
   _Sample.Crystal_grow_seeding_cit_ID      .
   _Sample.Crystal_grow_temp                .
   _Sample.Crystal_grow_temp_details        .
   _Sample.Crystal_grow_temp_esd            .
   _Sample.Crystal_grow_time                .
   _Sample.Oriented_sample_prep_protocol    .
   _Sample.Lyophilization_cryo_protectant   .
   _Sample.Storage_protocol                 .

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

      1   beta-phosphoglucomutase       '[U-100% 13C; U-100% 15N; U-80% 2H]'   .   .   1   $entity_1   .   .   0.33   .   .   mM   .   .   .   .   51987   1
      2   'fructose 1,6-bisphosphate'   'natural abundance'                    .   .   .   .           .   .   50     .   .   mM   .   .   .   .   51987   1
      3   'magnesium chloride'          'natural abundance'                    .   .   .   .           .   .   5      .   .   mM   .   .   .   .   51987   1
      4   'potassium HEPES'             'natural abundance'                    .   .   .   .           .   .   50     .   .   mM   .   .   .   .   51987   1
      5   'sodium azide'                'natural abundance'                    .   .   .   .           .   .   2      .   .   mM   .   .   .   .   51987   1
      6   TSP                           d4                                     .   .   .   .           .   .   1      .   .   mM   .   .   .   .   51987   1
      7   D2O                           '[U-99% 2H]'                           .   .   .   .           .   .   10     .   .   %    .   .   .   .   51987   1
      8   H2O                           'natural abundance'                    .   .   .   .           .   .   90     .   .   %    .   .   .   .   51987   1
   stop_
save_

save_sample_2
   _Sample.Sf_category                      sample
   _Sample.Sf_framecode                     sample_2
   _Sample.Entry_ID                         51987
   _Sample.ID                               2
   _Sample.Name                             '15N sample'
   _Sample.Type                             solution
   _Sample.Sub_type                         .
   _Sample.Details                          .
   _Sample.Aggregate_sample_number          1
   _Sample.Solvent_system                   '90% H2O/10% D2O'
   _Sample.Preparation_date                 .
   _Sample.Preparation_expiration_date      .
   _Sample.Polycrystallization_protocol     .
   _Sample.Single_crystal_protocol          .
   _Sample.Crystal_grow_apparatus           .
   _Sample.Crystal_grow_atmosphere          .
   _Sample.Crystal_grow_details             .
   _Sample.Crystal_grow_method              .
   _Sample.Crystal_grow_method_cit_ID       .
   _Sample.Crystal_grow_pH                  .
   _Sample.Crystal_grow_pH_range            .
   _Sample.Crystal_grow_pressure            .
   _Sample.Crystal_grow_pressure_esd        .
   _Sample.Crystal_grow_seeding             .
   _Sample.Crystal_grow_seeding_cit_ID      .
   _Sample.Crystal_grow_temp                .
   _Sample.Crystal_grow_temp_details        .
   _Sample.Crystal_grow_temp_esd            .
   _Sample.Crystal_grow_time                .
   _Sample.Oriented_sample_prep_protocol    .
   _Sample.Lyophilization_cryo_protectant   .
   _Sample.Storage_protocol                 .

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

      1   beta-phosphoglucomutase       '[U-99% 15N]'         .   .   1   $entity_1   .   .   0.33   .   .   mM   .   .   .   .   51987   2
      2   'fructose 1,6-bisphosphate'   'natural abundance'   .   .   .   .           .   .   50     .   .   mM   .   .   .   .   51987   2
      3   'magnesium chloride'          'natural abundance'   .   .   .   .           .   .   50     .   .   mM   .   .   .   .   51987   2
      4   'potassium HEPES'             'natural abundance'   .   .   .   .           .   .   50     .   .   mM   .   .   .   .   51987   2
      5   'sodium azide'                'natural abundance'   .   .   .   .           .   .   2      .   .   mM   .   .   .   .   51987   2
      6   TSP                           d4                    .   .   .   .           .   .   1      .   .   mM   .   .   .   .   51987   2
      7   D2O                           '[U-99% 2H]'          .   .   .   .           .   .   10     .   .   %    .   .   .   .   51987   2
      8   H2O                           'natural abundance'   .   .   .   .           .   .   90     .   .   %    .   .   .   .   51987   2
   stop_
save_


#######################
#  Sample conditions  #
#######################
save_sample_conditions_1
   _Sample_condition_list.Sf_category    sample_conditions
   _Sample_condition_list.Sf_framecode   sample_conditions_1
   _Sample_condition_list.Entry_ID       51987
   _Sample_condition_list.ID             1
   _Sample_condition_list.Name           'standard conditions'
   _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            7.2   .   pH    51987   1
      pressure      1     .   atm   51987   1
      temperature   298   .   K     51987   1
   stop_
save_


############################
#  Computer software used  #
############################
save_software_1
   _Software.Sf_category    software
   _Software.Sf_framecode   software_1
   _Software.Entry_ID       51987
   _Software.ID             1
   _Software.Type           .
   _Software.Name           TOPSPIN
   _Software.Version        4
   _Software.DOI            .
   _Software.Details        Bruker

   loop_
      _Task.Task
      _Task.Software_module
      _Task.Entry_ID
      _Task.Software_ID

      collection   .   51987   1
      processing   .   51987   1
   stop_
save_

save_software_2
   _Software.Sf_category    software
   _Software.Sf_framecode   software_2
   _Software.Entry_ID       51987
   _Software.ID             2
   _Software.Type           .
   _Software.Name           FELIX
   _Software.Version        2007
   _Software.DOI            .
   _Software.Details        'FELIX NMR Inc.'

   loop_
      _Task.Task
      _Task.Software_module
      _Task.Entry_ID
      _Task.Software_ID

      'chemical shift assignment'   .   51987   2
      'data analysis'               .   51987   2
      'peak picking'                .   51987   2
   stop_
save_


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

    ##################################
    #  NMR Spectrometer definitions  #
    ##################################
save_NMR_spectrometer_1
   _NMR_spectrometer.Sf_category      NMR_spectrometer
   _NMR_spectrometer.Sf_framecode     NMR_spectrometer_1
   _NMR_spectrometer.Entry_ID         51987
   _NMR_spectrometer.ID               1
   _NMR_spectrometer.Name             'mag6 spectrometer'
   _NMR_spectrometer.Details          .
   _NMR_spectrometer.Manufacturer     Bruker
   _NMR_spectrometer.Model            'AVANCE NEO'
   _NMR_spectrometer.Serial_number    .
   _NMR_spectrometer.Field_strength   800
save_


    #############################
    #  NMR applied experiments  #
    #############################
save_experiment_list_1
   _Experiment_list.Sf_category    experiment_list
   _Experiment_list.Sf_framecode   experiment_list_1
   _Experiment_list.Entry_ID       51987
   _Experiment_list.ID             1
   _Experiment_list.Details        .

   loop_
      _Experiment.ID
      _Experiment.Name
      _Experiment.Raw_data_flag
      _Experiment.NUS_flag
      _Experiment.Interleaved_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.Details
      _Experiment.Entry_ID
      _Experiment.Experiment_list_ID

      1   '1D 1H'              yes   no    no   .   .   .   .   .   .   .   .   .   .   1   $sample_1   isotropic   .   .   1   $sample_conditions_1   .   .   .   1   $NMR_spectrometer_1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   51987   1
      2   '2D 1H-15N TROSY'    yes   no    no   .   .   .   .   .   .   .   .   .   .   1   $sample_1   isotropic   .   .   1   $sample_conditions_1   .   .   .   1   $NMR_spectrometer_1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   51987   1
      3   '2D 1H-15N TROSY'    no    no    no   .   .   .   .   .   .   .   .   .   .   2   $sample_2   isotropic   .   .   1   $sample_conditions_1   .   .   .   1   $NMR_spectrometer_1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   51987   1
      4   '3D HN(CA)CO'        yes   yes   no   .   .   .   .   .   .   .   .   .   .   1   $sample_1   isotropic   .   .   1   $sample_conditions_1   .   .   .   1   $NMR_spectrometer_1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   51987   1
      5   '3D HNCO'            yes   yes   no   .   .   .   .   .   .   .   .   .   .   1   $sample_1   isotropic   .   .   1   $sample_conditions_1   .   .   .   1   $NMR_spectrometer_1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   51987   1
      6   '3D HNCACB'          yes   yes   no   .   .   .   .   .   .   .   .   .   .   1   $sample_1   isotropic   .   .   1   $sample_conditions_1   .   .   .   1   $NMR_spectrometer_1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   51987   1
      7   '3D HN(CO)CACB'      yes   yes   no   .   .   .   .   .   .   .   .   .   .   1   $sample_1   isotropic   .   .   1   $sample_conditions_1   .   .   .   1   $NMR_spectrometer_1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   51987   1
      8   '3D (H)N(COCA)NNH'   yes   yes   no   .   .   .   .   .   .   .   .   .   .   1   $sample_1   isotropic   .   .   1   $sample_conditions_1   .   .   .   1   $NMR_spectrometer_1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   51987   1
      9   '3D H(NCOCA)NNH'     yes   yes   no   .   .   .   .   .   .   .   .   .   .   1   $sample_1   isotropic   .   .   1   $sample_conditions_1   .   .   .   1   $NMR_spectrometer_1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   51987   1
   stop_

   loop_
      _Experiment_file.Experiment_ID
      _Experiment_file.Experiment_name
      _Experiment_file.Name
      _Experiment_file.Type
      _Experiment_file.Content
      _Experiment_file.Directory_path
      _Experiment_file.Details
      _Experiment_file.Entry_ID
      _Experiment_file.Experiment_list_ID

      2   '2D 1H-15N TROSY'    bpgm_trans_a_d10np146a_fbp_time_domain_data.zip   .   'NMR experiment directory'   .   6004_trosy           51987   1
      4   '3D HN(CA)CO'        bpgm_trans_a_d10np146a_fbp_time_domain_data.zip   .   'NMR experiment directory'   .   6010_hncaco          51987   1
      5   '3D HNCO'            bpgm_trans_a_d10np146a_fbp_time_domain_data.zip   .   'NMR experiment directory'   .   6013_hnco            51987   1
      6   '3D HNCACB'          bpgm_trans_a_d10np146a_fbp_time_domain_data.zip   .   'NMR experiment directory'   .   6016_hncacb          51987   1
      7   '3D HN(CO)CACB'      bpgm_trans_a_d10np146a_fbp_time_domain_data.zip   .   'NMR experiment directory'   .   6019_hncocacb        51987   1
      8   '3D (H)N(COCA)NNH'   bpgm_trans_a_d10np146a_fbp_time_domain_data.zip   .   'NMR experiment directory'   .   6022_(h)n(coca)nnh   51987   1
      9   '3D H(NCOCA)NNH'     bpgm_trans_a_d10np146a_fbp_time_domain_data.zip   .   'NMR experiment directory'   .   6025_h(ncoca)nnh     51987   1
   stop_
save_


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

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

	################################
	#  Chemical shift referencing  #
	################################
save_chem_shift_reference_1
   _Chem_shift_reference.Sf_category    chem_shift_reference
   _Chem_shift_reference.Sf_framecode   chem_shift_reference_1
   _Chem_shift_reference.Entry_ID       51987
   _Chem_shift_reference.ID             1
   _Chem_shift_reference.Name           'standard referencing'
   _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

      C   13   DSS   'methyl protons'   .   .   .   .   ppm   0.00   na         indirect   0.251449530   .   .   .   .   .   51987   1
      H   1    DSS   'methyl protons'   .   .   .   .   ppm   0.00   internal   direct     1.000000000   .   .   .   .   .   51987   1
      N   15   DSS   'methyl protons'   .   .   .   .   ppm   0.00   na         indirect   0.101329118   .   .   .   .   .   51987   1
   stop_
save_


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

###################################################################
#       Chemical Shift Ambiguity Index Value Definitions          #
#                                                                 #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains.                              #
#                                                                 #
#   Index Value            Definition                             #
#                                                                 #
#      1             Unique (including isolated methyl protons,   #
#                         geminal atoms, and geminal methyl       #
#                         groups with identical chemical shifts)  #
#                         (e.g. ILE HD11, HD12, HD13 protons)     #
#      2             Ambiguity of geminal atoms or geminal methyl #
#                         proton groups (e.g. ASP HB2 and HB3     #
#                         protons, LEU CD1 and CD2 carbons, or    #
#                         LEU HD11, HD12, HD13 and HD21, HD22,    #
#                         HD23 methyl protons)                    #
#      3             Aromatic atoms on opposite sides of          #
#                         symmetrical rings (e.g. TYR HE1 and HE2 #
#                         protons)                                #
#      4             Intraresidue ambiguities (e.g. LYS HG and    #
#                         HD protons or TRP HZ2 and HZ3 protons)  #
#      5             Interresidue ambiguities (LYS 12 vs. LYS 27) #
#      6             Intermolecular ambiguities (e.g. ASP 31 CA   #
#                         in monomer 1 and ASP 31 CA in monomer 2 #
#                         of an asymmetrical homodimer, duplex    #
#                         DNA assignments, or other assignments   #
#                         that may apply to atoms in one or more  #
#                         molecule in the molecular assembly)     #
#      9             Ambiguous, specific ambiguity not defined    #
#                                                                 #
###################################################################
save_assigned_chemical_shifts_1
   _Assigned_chem_shift_list.Sf_category                   assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                  assigned_chemical_shifts_1
   _Assigned_chem_shift_list.Entry_ID                      51987
   _Assigned_chem_shift_list.ID                            1
   _Assigned_chem_shift_list.Name                          'chemical shifts'
   _Assigned_chem_shift_list.Sample_condition_list_ID      1
   _Assigned_chem_shift_list.Sample_condition_list_label   $sample_conditions_1
   _Assigned_chem_shift_list.Chem_shift_reference_ID       1
   _Assigned_chem_shift_list.Chem_shift_reference_label    $chem_shift_reference_1
   _Assigned_chem_shift_list.Chem_shift_1H_err             0.005
   _Assigned_chem_shift_list.Chem_shift_13C_err            .
   _Assigned_chem_shift_list.Chem_shift_15N_err            0.050
   _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

      2   '2D 1H-15N TROSY'   .   .   .   51987   1
      4   '3D HN(CA)CO'       .   .   .   51987   1
      5   '3D HNCO'           .   .   .   51987   1
      6   '3D HNCACB'         .   .   .   51987   1
      7   '3D HN(CO)CACB'     .   .   .   51987   1
   stop_

   loop_
      _Systematic_chem_shift_offset.Type
      _Systematic_chem_shift_offset.Atom_type
      _Systematic_chem_shift_offset.Atom_isotope_number
      _Systematic_chem_shift_offset.Val
      _Systematic_chem_shift_offset.Val_err
      _Systematic_chem_shift_offset.Entry_ID
      _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID

      'TROSY offset'   'amide protons'     .   .   .   51987   1
      'TROSY offset'   'amide nitrogens'   .   .   .   51987   1
   stop_

   loop_
      _Chem_shift_software.Software_ID
      _Chem_shift_software.Software_label
      _Chem_shift_software.Method_ID
      _Chem_shift_software.Method_label
      _Chem_shift_software.Entry_ID
      _Chem_shift_software.Assigned_chem_shift_list_ID

      2   $software_2   .   .   51987   1
   stop_

   loop_
      _Atom_chem_shift.ID
      _Atom_chem_shift.Assembly_atom_ID
      _Atom_chem_shift.Entity_assembly_ID
      _Atom_chem_shift.Entity_assembly_asym_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   3     3     LYS   H   H   1    8.790     0.005   .   1   .   .   .   .   .   3     LYS   HN   .   51987   1
      2     .   1   .   1   3     3     LYS   N   N   15   116.203   0.050   .   1   .   .   .   .   .   3     LYS   N    .   51987   1
      3     .   1   .   1   4     4     ALA   H   H   1    7.685     0.005   .   1   .   .   .   .   .   4     ALA   HN   .   51987   1
      4     .   1   .   1   4     4     ALA   N   N   15   121.067   0.050   .   1   .   .   .   .   .   4     ALA   N    .   51987   1
      5     .   1   .   1   5     5     VAL   H   H   1    8.693     0.005   .   1   .   .   .   .   .   5     VAL   HN   .   51987   1
      6     .   1   .   1   5     5     VAL   N   N   15   119.915   0.050   .   1   .   .   .   .   .   5     VAL   N    .   51987   1
      7     .   1   .   1   6     6     LEU   H   H   1    9.341     0.005   .   1   .   .   .   .   .   6     LEU   HN   .   51987   1
      8     .   1   .   1   6     6     LEU   N   N   15   126.278   0.050   .   1   .   .   .   .   .   6     LEU   N    .   51987   1
      9     .   1   .   1   7     7     PHE   H   H   1    9.560     0.005   .   1   .   .   .   .   .   7     PHE   HN   .   51987   1
      10    .   1   .   1   7     7     PHE   N   N   15   122.475   0.050   .   1   .   .   .   .   .   7     PHE   N    .   51987   1
      11    .   1   .   1   10    10    ASN   H   H   1    10.434    0.005   .   1   .   .   .   .   .   10    ASN   HN   .   51987   1
      12    .   1   .   1   10    10    ASN   N   N   15   124.655   0.050   .   1   .   .   .   .   .   10    ASN   N    .   51987   1
      13    .   1   .   1   11    11    GLY   H   H   1    10.056    0.005   .   1   .   .   .   .   .   11    GLY   HN   .   51987   1
      14    .   1   .   1   11    11    GLY   N   N   15   114.974   0.050   .   1   .   .   .   .   .   11    GLY   N    .   51987   1
      15    .   1   .   1   12    12    VAL   H   H   1    7.708     0.005   .   1   .   .   .   .   .   12    VAL   HN   .   51987   1
      16    .   1   .   1   12    12    VAL   N   N   15   118.161   0.050   .   1   .   .   .   .   .   12    VAL   N    .   51987   1
      17    .   1   .   1   13    13    ILE   H   H   1    8.215     0.005   .   1   .   .   .   .   .   13    ILE   HN   .   51987   1
      18    .   1   .   1   13    13    ILE   N   N   15   116.731   0.050   .   1   .   .   .   .   .   13    ILE   N    .   51987   1
      19    .   1   .   1   14    14    THR   H   H   1    7.528     0.005   .   1   .   .   .   .   .   14    THR   HN   .   51987   1
      20    .   1   .   1   14    14    THR   N   N   15   109.782   0.050   .   1   .   .   .   .   .   14    THR   N    .   51987   1
      21    .   1   .   1   15    15    ASP   H   H   1    8.080     0.005   .   1   .   .   .   .   .   15    ASP   HN   .   51987   1
      22    .   1   .   1   15    15    ASP   N   N   15   119.368   0.050   .   1   .   .   .   .   .   15    ASP   N    .   51987   1
      23    .   1   .   1   16    16    THR   H   H   1    8.803     0.005   .   1   .   .   .   .   .   16    THR   HN   .   51987   1
      24    .   1   .   1   16    16    THR   N   N   15   117.160   0.050   .   1   .   .   .   .   .   16    THR   N    .   51987   1
      25    .   1   .   1   17    17    ALA   H   H   1    8.737     0.005   .   1   .   .   .   .   .   17    ALA   HN   .   51987   1
      26    .   1   .   1   17    17    ALA   N   N   15   129.029   0.050   .   1   .   .   .   .   .   17    ALA   N    .   51987   1
      27    .   1   .   1   18    18    GLU   H   H   1    9.106     0.005   .   1   .   .   .   .   .   18    GLU   HN   .   51987   1
      28    .   1   .   1   18    18    GLU   N   N   15   118.646   0.050   .   1   .   .   .   .   .   18    GLU   N    .   51987   1
      29    .   1   .   1   19    19    TYR   H   H   1    7.383     0.005   .   1   .   .   .   .   .   19    TYR   HN   .   51987   1
      30    .   1   .   1   19    19    TYR   N   N   15   118.038   0.050   .   1   .   .   .   .   .   19    TYR   N    .   51987   1
      31    .   1   .   1   20    20    HIS   H   H   1    8.143     0.005   .   1   .   .   .   .   .   20    HIS   HN   .   51987   1
      32    .   1   .   1   20    20    HIS   N   N   15   119.400   0.050   .   1   .   .   .   .   .   20    HIS   N    .   51987   1
      33    .   1   .   1   21    21    PHE   H   H   1    8.767     0.005   .   1   .   .   .   .   .   21    PHE   HN   .   51987   1
      34    .   1   .   1   21    21    PHE   N   N   15   118.444   0.050   .   1   .   .   .   .   .   21    PHE   N    .   51987   1
      35    .   1   .   1   22    22    ARG   H   H   1    8.350     0.005   .   1   .   .   .   .   .   22    ARG   HN   .   51987   1
      36    .   1   .   1   22    22    ARG   N   N   15   117.725   0.050   .   1   .   .   .   .   .   22    ARG   N    .   51987   1
      37    .   1   .   1   23    23    ALA   H   H   1    8.327     0.005   .   1   .   .   .   .   .   23    ALA   HN   .   51987   1
      38    .   1   .   1   23    23    ALA   N   N   15   122.726   0.050   .   1   .   .   .   .   .   23    ALA   N    .   51987   1
      39    .   1   .   1   24    24    TRP   H   H   1    9.000     0.005   .   1   .   .   .   .   .   24    TRP   HN   .   51987   1
      40    .   1   .   1   24    24    TRP   N   N   15   121.735   0.050   .   1   .   .   .   .   .   24    TRP   N    .   51987   1
      41    .   1   .   1   25    25    LYS   H   H   1    8.961     0.005   .   1   .   .   .   .   .   25    LYS   HN   .   51987   1
      42    .   1   .   1   25    25    LYS   N   N   15   120.581   0.050   .   1   .   .   .   .   .   25    LYS   N    .   51987   1
      43    .   1   .   1   26    26    ALA   H   H   1    7.770     0.005   .   1   .   .   .   .   .   26    ALA   HN   .   51987   1
      44    .   1   .   1   26    26    ALA   N   N   15   119.747   0.050   .   1   .   .   .   .   .   26    ALA   N    .   51987   1
      45    .   1   .   1   27    27    LEU   H   H   1    7.568     0.005   .   1   .   .   .   .   .   27    LEU   HN   .   51987   1
      46    .   1   .   1   27    27    LEU   N   N   15   120.359   0.050   .   1   .   .   .   .   .   27    LEU   N    .   51987   1
      47    .   1   .   1   28    28    ALA   H   H   1    8.652     0.005   .   1   .   .   .   .   .   28    ALA   HN   .   51987   1
      48    .   1   .   1   28    28    ALA   N   N   15   120.897   0.050   .   1   .   .   .   .   .   28    ALA   N    .   51987   1
      49    .   1   .   1   29    29    GLU   H   H   1    8.388     0.005   .   1   .   .   .   .   .   29    GLU   HN   .   51987   1
      50    .   1   .   1   29    29    GLU   N   N   15   116.761   0.050   .   1   .   .   .   .   .   29    GLU   N    .   51987   1
      51    .   1   .   1   30    30    GLU   H   H   1    7.859     0.005   .   1   .   .   .   .   .   30    GLU   HN   .   51987   1
      52    .   1   .   1   30    30    GLU   N   N   15   121.287   0.050   .   1   .   .   .   .   .   30    GLU   N    .   51987   1
      53    .   1   .   1   31    31    ILE   H   H   1    7.664     0.005   .   1   .   .   .   .   .   31    ILE   HN   .   51987   1
      54    .   1   .   1   31    31    ILE   N   N   15   111.551   0.050   .   1   .   .   .   .   .   31    ILE   N    .   51987   1
      55    .   1   .   1   32    32    GLY   H   H   1    7.595     0.005   .   1   .   .   .   .   .   32    GLY   HN   .   51987   1
      56    .   1   .   1   32    32    GLY   N   N   15   109.794   0.050   .   1   .   .   .   .   .   32    GLY   N    .   51987   1
      57    .   1   .   1   33    33    ILE   H   H   1    8.325     0.005   .   1   .   .   .   .   .   33    ILE   HN   .   51987   1
      58    .   1   .   1   33    33    ILE   N   N   15   122.894   0.050   .   1   .   .   .   .   .   33    ILE   N    .   51987   1
      59    .   1   .   1   34    34    ASN   H   H   1    8.572     0.005   .   1   .   .   .   .   .   34    ASN   HN   .   51987   1
      60    .   1   .   1   34    34    ASN   N   N   15   126.522   0.050   .   1   .   .   .   .   .   34    ASN   N    .   51987   1
      61    .   1   .   1   35    35    GLY   H   H   1    7.915     0.005   .   1   .   .   .   .   .   35    GLY   HN   .   51987   1
      62    .   1   .   1   35    35    GLY   N   N   15   107.064   0.050   .   1   .   .   .   .   .   35    GLY   N    .   51987   1
      63    .   1   .   1   36    36    VAL   H   H   1    8.552     0.005   .   1   .   .   .   .   .   36    VAL   HN   .   51987   1
      64    .   1   .   1   36    36    VAL   N   N   15   122.929   0.050   .   1   .   .   .   .   .   36    VAL   N    .   51987   1
      65    .   1   .   1   37    37    ASP   H   H   1    7.474     0.005   .   1   .   .   .   .   .   37    ASP   HN   .   51987   1
      66    .   1   .   1   37    37    ASP   N   N   15   126.977   0.050   .   1   .   .   .   .   .   37    ASP   N    .   51987   1
      67    .   1   .   1   38    38    ARG   H   H   1    8.389     0.005   .   1   .   .   .   .   .   38    ARG   HN   .   51987   1
      68    .   1   .   1   38    38    ARG   N   N   15   119.193   0.050   .   1   .   .   .   .   .   38    ARG   N    .   51987   1
      69    .   1   .   1   39    39    GLN   H   H   1    7.977     0.005   .   1   .   .   .   .   .   39    GLN   HN   .   51987   1
      70    .   1   .   1   39    39    GLN   N   N   15   119.963   0.050   .   1   .   .   .   .   .   39    GLN   N    .   51987   1
      71    .   1   .   1   40    40    PHE   H   H   1    8.618     0.005   .   1   .   .   .   .   .   40    PHE   HN   .   51987   1
      72    .   1   .   1   40    40    PHE   N   N   15   124.136   0.050   .   1   .   .   .   .   .   40    PHE   N    .   51987   1
      73    .   1   .   1   41    41    ASN   H   H   1    8.374     0.005   .   1   .   .   .   .   .   41    ASN   HN   .   51987   1
      74    .   1   .   1   41    41    ASN   N   N   15   116.083   0.050   .   1   .   .   .   .   .   41    ASN   N    .   51987   1
      75    .   1   .   1   42    42    GLU   H   H   1    7.698     0.005   .   1   .   .   .   .   .   42    GLU   HN   .   51987   1
      76    .   1   .   1   42    42    GLU   N   N   15   119.448   0.050   .   1   .   .   .   .   .   42    GLU   N    .   51987   1
      77    .   1   .   1   43    43    GLN   H   H   1    7.593     0.005   .   1   .   .   .   .   .   43    GLN   HN   .   51987   1
      78    .   1   .   1   43    43    GLN   N   N   15   115.647   0.050   .   1   .   .   .   .   .   43    GLN   N    .   51987   1
      79    .   1   .   1   44    44    LEU   H   H   1    7.257     0.005   .   1   .   .   .   .   .   44    LEU   HN   .   51987   1
      80    .   1   .   1   44    44    LEU   N   N   15   116.914   0.050   .   1   .   .   .   .   .   44    LEU   N    .   51987   1
      81    .   1   .   1   45    45    LYS   H   H   1    6.964     0.005   .   1   .   .   .   .   .   45    LYS   HN   .   51987   1
      82    .   1   .   1   45    45    LYS   N   N   15   122.759   0.050   .   1   .   .   .   .   .   45    LYS   N    .   51987   1
      83    .   1   .   1   46    46    GLY   H   H   1    8.461     0.005   .   1   .   .   .   .   .   46    GLY   HN   .   51987   1
      84    .   1   .   1   46    46    GLY   N   N   15   113.138   0.050   .   1   .   .   .   .   .   46    GLY   N    .   51987   1
      85    .   1   .   1   47    47    VAL   H   H   1    7.600     0.005   .   1   .   .   .   .   .   47    VAL   HN   .   51987   1
      86    .   1   .   1   47    47    VAL   N   N   15   121.897   0.050   .   1   .   .   .   .   .   47    VAL   N    .   51987   1
      87    .   1   .   1   48    48    SER   H   H   1    8.858     0.005   .   1   .   .   .   .   .   48    SER   HN   .   51987   1
      88    .   1   .   1   48    48    SER   N   N   15   121.160   0.050   .   1   .   .   .   .   .   48    SER   N    .   51987   1
      89    .   1   .   1   49    49    ARG   H   H   1    9.451     0.005   .   1   .   .   .   .   .   49    ARG   HN   .   51987   1
      90    .   1   .   1   49    49    ARG   N   N   15   125.963   0.050   .   1   .   .   .   .   .   49    ARG   N    .   51987   1
      91    .   1   .   1   50    50    GLU   H   H   1    8.936     0.005   .   1   .   .   .   .   .   50    GLU   HN   .   51987   1
      92    .   1   .   1   50    50    GLU   N   N   15   116.833   0.050   .   1   .   .   .   .   .   50    GLU   N    .   51987   1
      93    .   1   .   1   51    51    ASP   H   H   1    7.979     0.005   .   1   .   .   .   .   .   51    ASP   HN   .   51987   1
      94    .   1   .   1   51    51    ASP   N   N   15   119.644   0.050   .   1   .   .   .   .   .   51    ASP   N    .   51987   1
      95    .   1   .   1   52    52    SER   H   H   1    8.265     0.005   .   1   .   .   .   .   .   52    SER   HN   .   51987   1
      96    .   1   .   1   52    52    SER   N   N   15   120.052   0.050   .   1   .   .   .   .   .   52    SER   N    .   51987   1
      97    .   1   .   1   53    53    LEU   H   H   1    7.285     0.005   .   1   .   .   .   .   .   53    LEU   HN   .   51987   1
      98    .   1   .   1   53    53    LEU   N   N   15   121.357   0.050   .   1   .   .   .   .   .   53    LEU   N    .   51987   1
      99    .   1   .   1   54    54    GLN   H   H   1    8.104     0.005   .   1   .   .   .   .   .   54    GLN   HN   .   51987   1
      100   .   1   .   1   54    54    GLN   N   N   15   117.678   0.050   .   1   .   .   .   .   .   54    GLN   N    .   51987   1
      101   .   1   .   1   55    55    LYS   H   H   1    7.691     0.005   .   1   .   .   .   .   .   55    LYS   HN   .   51987   1
      102   .   1   .   1   55    55    LYS   N   N   15   118.061   0.050   .   1   .   .   .   .   .   55    LYS   N    .   51987   1
      103   .   1   .   1   56    56    ILE   H   H   1    7.558     0.005   .   1   .   .   .   .   .   56    ILE   HN   .   51987   1
      104   .   1   .   1   56    56    ILE   N   N   15   120.543   0.050   .   1   .   .   .   .   .   56    ILE   N    .   51987   1
      105   .   1   .   1   57    57    LEU   H   H   1    8.367     0.005   .   1   .   .   .   .   .   57    LEU   HN   .   51987   1
      106   .   1   .   1   57    57    LEU   N   N   15   119.331   0.050   .   1   .   .   .   .   .   57    LEU   N    .   51987   1
      107   .   1   .   1   58    58    ASP   H   H   1    8.708     0.005   .   1   .   .   .   .   .   58    ASP   HN   .   51987   1
      108   .   1   .   1   58    58    ASP   N   N   15   119.148   0.050   .   1   .   .   .   .   .   58    ASP   N    .   51987   1
      109   .   1   .   1   59    59    LEU   H   H   1    7.717     0.005   .   1   .   .   .   .   .   59    LEU   HN   .   51987   1
      110   .   1   .   1   59    59    LEU   N   N   15   122.615   0.050   .   1   .   .   .   .   .   59    LEU   N    .   51987   1
      111   .   1   .   1   60    60    ALA   H   H   1    7.107     0.005   .   1   .   .   .   .   .   60    ALA   HN   .   51987   1
      112   .   1   .   1   60    60    ALA   N   N   15   118.739   0.050   .   1   .   .   .   .   .   60    ALA   N    .   51987   1
      113   .   1   .   1   61    61    ASP   H   H   1    7.870     0.005   .   1   .   .   .   .   .   61    ASP   HN   .   51987   1
      114   .   1   .   1   61    61    ASP   N   N   15   120.410   0.050   .   1   .   .   .   .   .   61    ASP   N    .   51987   1
      115   .   1   .   1   62    62    LYS   H   H   1    7.801     0.005   .   1   .   .   .   .   .   62    LYS   HN   .   51987   1
      116   .   1   .   1   62    62    LYS   N   N   15   118.347   0.050   .   1   .   .   .   .   .   62    LYS   N    .   51987   1
      117   .   1   .   1   63    63    LYS   H   H   1    8.532     0.005   .   1   .   .   .   .   .   63    LYS   HN   .   51987   1
      118   .   1   .   1   63    63    LYS   N   N   15   126.954   0.050   .   1   .   .   .   .   .   63    LYS   N    .   51987   1
      119   .   1   .   1   64    64    VAL   H   H   1    8.421     0.005   .   1   .   .   .   .   .   64    VAL   HN   .   51987   1
      120   .   1   .   1   64    64    VAL   N   N   15   116.452   0.050   .   1   .   .   .   .   .   64    VAL   N    .   51987   1
      121   .   1   .   1   65    65    SER   H   H   1    9.039     0.005   .   1   .   .   .   .   .   65    SER   HN   .   51987   1
      122   .   1   .   1   65    65    SER   N   N   15   119.412   0.050   .   1   .   .   .   .   .   65    SER   N    .   51987   1
      123   .   1   .   1   66    66    ALA   H   H   1    8.934     0.005   .   1   .   .   .   .   .   66    ALA   HN   .   51987   1
      124   .   1   .   1   66    66    ALA   N   N   15   124.090   0.050   .   1   .   .   .   .   .   66    ALA   N    .   51987   1
      125   .   1   .   1   67    67    GLU   H   H   1    8.606     0.005   .   1   .   .   .   .   .   67    GLU   HN   .   51987   1
      126   .   1   .   1   67    67    GLU   N   N   15   117.850   0.050   .   1   .   .   .   .   .   67    GLU   N    .   51987   1
      127   .   1   .   1   68    68    GLU   H   H   1    7.903     0.005   .   1   .   .   .   .   .   68    GLU   HN   .   51987   1
      128   .   1   .   1   68    68    GLU   N   N   15   122.656   0.050   .   1   .   .   .   .   .   68    GLU   N    .   51987   1
      129   .   1   .   1   69    69    PHE   H   H   1    8.882     0.005   .   1   .   .   .   .   .   69    PHE   HN   .   51987   1
      130   .   1   .   1   69    69    PHE   N   N   15   121.484   0.050   .   1   .   .   .   .   .   69    PHE   N    .   51987   1
      131   .   1   .   1   70    70    LYS   H   H   1    7.661     0.005   .   1   .   .   .   .   .   70    LYS   HN   .   51987   1
      132   .   1   .   1   70    70    LYS   N   N   15   116.197   0.050   .   1   .   .   .   .   .   70    LYS   N    .   51987   1
      133   .   1   .   1   71    71    GLU   H   H   1    7.768     0.005   .   1   .   .   .   .   .   71    GLU   HN   .   51987   1
      134   .   1   .   1   71    71    GLU   N   N   15   120.923   0.050   .   1   .   .   .   .   .   71    GLU   N    .   51987   1
      135   .   1   .   1   72    72    LEU   H   H   1    8.456     0.005   .   1   .   .   .   .   .   72    LEU   HN   .   51987   1
      136   .   1   .   1   72    72    LEU   N   N   15   121.637   0.050   .   1   .   .   .   .   .   72    LEU   N    .   51987   1
      137   .   1   .   1   73    73    ALA   H   H   1    7.801     0.005   .   1   .   .   .   .   .   73    ALA   HN   .   51987   1
      138   .   1   .   1   73    73    ALA   N   N   15   120.760   0.050   .   1   .   .   .   .   .   73    ALA   N    .   51987   1
      139   .   1   .   1   74    74    LYS   H   H   1    7.677     0.005   .   1   .   .   .   .   .   74    LYS   HN   .   51987   1
      140   .   1   .   1   74    74    LYS   N   N   15   118.809   0.050   .   1   .   .   .   .   .   74    LYS   N    .   51987   1
      141   .   1   .   1   75    75    ARG   H   H   1    8.316     0.005   .   1   .   .   .   .   .   75    ARG   HN   .   51987   1
      142   .   1   .   1   75    75    ARG   N   N   15   121.345   0.050   .   1   .   .   .   .   .   75    ARG   N    .   51987   1
      143   .   1   .   1   76    76    LYS   H   H   1    7.919     0.005   .   1   .   .   .   .   .   76    LYS   HN   .   51987   1
      144   .   1   .   1   76    76    LYS   N   N   15   119.534   0.050   .   1   .   .   .   .   .   76    LYS   N    .   51987   1
      145   .   1   .   1   77    77    ASN   H   H   1    8.044     0.005   .   1   .   .   .   .   .   77    ASN   HN   .   51987   1
      146   .   1   .   1   77    77    ASN   N   N   15   118.961   0.050   .   1   .   .   .   .   .   77    ASN   N    .   51987   1
      147   .   1   .   1   78    78    ASP   H   H   1    8.895     0.005   .   1   .   .   .   .   .   78    ASP   HN   .   51987   1
      148   .   1   .   1   78    78    ASP   N   N   15   119.707   0.050   .   1   .   .   .   .   .   78    ASP   N    .   51987   1
      149   .   1   .   1   79    79    ASN   H   H   1    7.554     0.005   .   1   .   .   .   .   .   79    ASN   HN   .   51987   1
      150   .   1   .   1   79    79    ASN   N   N   15   118.868   0.050   .   1   .   .   .   .   .   79    ASN   N    .   51987   1
      151   .   1   .   1   80    80    TYR   H   H   1    8.352     0.005   .   1   .   .   .   .   .   80    TYR   HN   .   51987   1
      152   .   1   .   1   80    80    TYR   N   N   15   122.286   0.050   .   1   .   .   .   .   .   80    TYR   N    .   51987   1
      153   .   1   .   1   81    81    VAL   H   H   1    8.910     0.005   .   1   .   .   .   .   .   81    VAL   HN   .   51987   1
      154   .   1   .   1   81    81    VAL   N   N   15   119.415   0.050   .   1   .   .   .   .   .   81    VAL   N    .   51987   1
      155   .   1   .   1   82    82    LYS   H   H   1    7.199     0.005   .   1   .   .   .   .   .   82    LYS   HN   .   51987   1
      156   .   1   .   1   82    82    LYS   N   N   15   118.707   0.050   .   1   .   .   .   .   .   82    LYS   N    .   51987   1
      157   .   1   .   1   83    83    MET   H   H   1    7.615     0.005   .   1   .   .   .   .   .   83    MET   HN   .   51987   1
      158   .   1   .   1   83    83    MET   N   N   15   118.525   0.050   .   1   .   .   .   .   .   83    MET   N    .   51987   1
      159   .   1   .   1   84    84    ILE   H   H   1    7.572     0.005   .   1   .   .   .   .   .   84    ILE   HN   .   51987   1
      160   .   1   .   1   84    84    ILE   N   N   15   109.980   0.050   .   1   .   .   .   .   .   84    ILE   N    .   51987   1
      161   .   1   .   1   85    85    GLN   H   H   1    7.009     0.005   .   1   .   .   .   .   .   85    GLN   HN   .   51987   1
      162   .   1   .   1   85    85    GLN   N   N   15   119.125   0.050   .   1   .   .   .   .   .   85    GLN   N    .   51987   1
      163   .   1   .   1   86    86    ASP   H   H   1    7.185     0.005   .   1   .   .   .   .   .   86    ASP   HN   .   51987   1
      164   .   1   .   1   86    86    ASP   N   N   15   113.745   0.050   .   1   .   .   .   .   .   86    ASP   N    .   51987   1
      165   .   1   .   1   87    87    VAL   H   H   1    7.190     0.005   .   1   .   .   .   .   .   87    VAL   HN   .   51987   1
      166   .   1   .   1   87    87    VAL   N   N   15   124.441   0.050   .   1   .   .   .   .   .   87    VAL   N    .   51987   1
      167   .   1   .   1   88    88    SER   H   H   1    9.182     0.005   .   1   .   .   .   .   .   88    SER   HN   .   51987   1
      168   .   1   .   1   88    88    SER   N   N   15   125.459   0.050   .   1   .   .   .   .   .   88    SER   N    .   51987   1
      169   .   1   .   1   90    90    ALA   H   H   1    7.758     0.005   .   1   .   .   .   .   .   90    ALA   HN   .   51987   1
      170   .   1   .   1   90    90    ALA   N   N   15   119.623   0.050   .   1   .   .   .   .   .   90    ALA   N    .   51987   1
      171   .   1   .   1   91    91    ASP   H   H   1    8.111     0.005   .   1   .   .   .   .   .   91    ASP   HN   .   51987   1
      172   .   1   .   1   91    91    ASP   N   N   15   115.707   0.050   .   1   .   .   .   .   .   91    ASP   N    .   51987   1
      173   .   1   .   1   92    92    VAL   H   H   1    7.154     0.005   .   1   .   .   .   .   .   92    VAL   HN   .   51987   1
      174   .   1   .   1   92    92    VAL   N   N   15   123.241   0.050   .   1   .   .   .   .   .   92    VAL   N    .   51987   1
      175   .   1   .   1   93    93    TYR   H   H   1    9.145     0.005   .   1   .   .   .   .   .   93    TYR   HN   .   51987   1
      176   .   1   .   1   93    93    TYR   N   N   15   131.231   0.050   .   1   .   .   .   .   .   93    TYR   N    .   51987   1
      177   .   1   .   1   95    95    GLY   H   H   1    8.464     0.005   .   1   .   .   .   .   .   95    GLY   HN   .   51987   1
      178   .   1   .   1   95    95    GLY   N   N   15   111.163   0.050   .   1   .   .   .   .   .   95    GLY   N    .   51987   1
      179   .   1   .   1   96    96    ILE   H   H   1    7.213     0.005   .   1   .   .   .   .   .   96    ILE   HN   .   51987   1
      180   .   1   .   1   96    96    ILE   N   N   15   121.551   0.050   .   1   .   .   .   .   .   96    ILE   N    .   51987   1
      181   .   1   .   1   97    97    LEU   H   H   1    8.843     0.005   .   1   .   .   .   .   .   97    LEU   HN   .   51987   1
      182   .   1   .   1   97    97    LEU   N   N   15   121.195   0.050   .   1   .   .   .   .   .   97    LEU   N    .   51987   1
      183   .   1   .   1   98    98    GLN   H   H   1    8.673     0.005   .   1   .   .   .   .   .   98    GLN   HN   .   51987   1
      184   .   1   .   1   98    98    GLN   N   N   15   117.560   0.050   .   1   .   .   .   .   .   98    GLN   N    .   51987   1
      185   .   1   .   1   99    99    LEU   H   H   1    7.851     0.005   .   1   .   .   .   .   .   99    LEU   HN   .   51987   1
      186   .   1   .   1   99    99    LEU   N   N   15   119.620   0.050   .   1   .   .   .   .   .   99    LEU   N    .   51987   1
      187   .   1   .   1   100   100   LEU   H   H   1    8.344     0.005   .   1   .   .   .   .   .   100   LEU   HN   .   51987   1
      188   .   1   .   1   100   100   LEU   N   N   15   119.213   0.050   .   1   .   .   .   .   .   100   LEU   N    .   51987   1
      189   .   1   .   1   101   101   LYS   H   H   1    7.924     0.005   .   1   .   .   .   .   .   101   LYS   HN   .   51987   1
      190   .   1   .   1   101   101   LYS   N   N   15   117.697   0.050   .   1   .   .   .   .   .   101   LYS   N    .   51987   1
      191   .   1   .   1   102   102   ASP   H   H   1    8.805     0.005   .   1   .   .   .   .   .   102   ASP   HN   .   51987   1
      192   .   1   .   1   102   102   ASP   N   N   15   122.623   0.050   .   1   .   .   .   .   .   102   ASP   N    .   51987   1
      193   .   1   .   1   103   103   LEU   H   H   1    9.368     0.005   .   1   .   .   .   .   .   103   LEU   HN   .   51987   1
      194   .   1   .   1   103   103   LEU   N   N   15   123.568   0.050   .   1   .   .   .   .   .   103   LEU   N    .   51987   1
      195   .   1   .   1   104   104   ARG   H   H   1    8.338     0.005   .   1   .   .   .   .   .   104   ARG   HN   .   51987   1
      196   .   1   .   1   104   104   ARG   N   N   15   120.077   0.050   .   1   .   .   .   .   .   104   ARG   N    .   51987   1
      197   .   1   .   1   105   105   SER   H   H   1    8.721     0.005   .   1   .   .   .   .   .   105   SER   HN   .   51987   1
      198   .   1   .   1   105   105   SER   N   N   15   117.135   0.050   .   1   .   .   .   .   .   105   SER   N    .   51987   1
      199   .   1   .   1   106   106   ASN   H   H   1    7.443     0.005   .   1   .   .   .   .   .   106   ASN   HN   .   51987   1
      200   .   1   .   1   106   106   ASN   N   N   15   118.094   0.050   .   1   .   .   .   .   .   106   ASN   N    .   51987   1
      201   .   1   .   1   107   107   LYS   H   H   1    7.922     0.005   .   1   .   .   .   .   .   107   LYS   HN   .   51987   1
      202   .   1   .   1   107   107   LYS   N   N   15   114.792   0.050   .   1   .   .   .   .   .   107   LYS   N    .   51987   1
      203   .   1   .   1   108   108   ILE   H   H   1    7.993     0.005   .   1   .   .   .   .   .   108   ILE   HN   .   51987   1
      204   .   1   .   1   108   108   ILE   N   N   15   122.326   0.050   .   1   .   .   .   .   .   108   ILE   N    .   51987   1
      205   .   1   .   1   109   109   LYS   H   H   1    7.710     0.005   .   1   .   .   .   .   .   109   LYS   HN   .   51987   1
      206   .   1   .   1   109   109   LYS   N   N   15   125.036   0.050   .   1   .   .   .   .   .   109   LYS   N    .   51987   1
      207   .   1   .   1   110   110   ILE   H   H   1    9.268     0.005   .   1   .   .   .   .   .   110   ILE   HN   .   51987   1
      208   .   1   .   1   110   110   ILE   N   N   15   121.997   0.050   .   1   .   .   .   .   .   110   ILE   N    .   51987   1
      209   .   1   .   1   111   111   ALA   H   H   1    8.812     0.005   .   1   .   .   .   .   .   111   ALA   HN   .   51987   1
      210   .   1   .   1   111   111   ALA   N   N   15   127.928   0.050   .   1   .   .   .   .   .   111   ALA   N    .   51987   1
      211   .   1   .   1   112   112   LEU   H   H   1    8.560     0.005   .   1   .   .   .   .   .   112   LEU   HN   .   51987   1
      212   .   1   .   1   112   112   LEU   N   N   15   123.677   0.050   .   1   .   .   .   .   .   112   LEU   N    .   51987   1
      213   .   1   .   1   116   116   SER   H   H   1    8.925     0.005   .   1   .   .   .   .   .   116   SER   HN   .   51987   1
      214   .   1   .   1   116   116   SER   N   N   15   113.922   0.050   .   1   .   .   .   .   .   116   SER   N    .   51987   1
      215   .   1   .   1   117   117   LYS   H   H   1    10.764    0.005   .   1   .   .   .   .   .   117   LYS   HN   .   51987   1
      216   .   1   .   1   117   117   LYS   N   N   15   134.888   0.050   .   1   .   .   .   .   .   117   LYS   N    .   51987   1
      217   .   1   .   1   118   118   ASN   H   H   1    8.392     0.005   .   1   .   .   .   .   .   118   ASN   HN   .   51987   1
      218   .   1   .   1   118   118   ASN   N   N   15   116.878   0.050   .   1   .   .   .   .   .   118   ASN   N    .   51987   1
      219   .   1   .   1   119   119   GLY   H   H   1    7.341     0.005   .   1   .   .   .   .   .   119   GLY   HN   .   51987   1
      220   .   1   .   1   119   119   GLY   N   N   15   105.898   0.050   .   1   .   .   .   .   .   119   GLY   N    .   51987   1
      221   .   1   .   1   121   121   PHE   H   H   1    7.745     0.005   .   1   .   .   .   .   .   121   PHE   HN   .   51987   1
      222   .   1   .   1   121   121   PHE   N   N   15   119.472   0.050   .   1   .   .   .   .   .   121   PHE   N    .   51987   1
      223   .   1   .   1   122   122   LEU   H   H   1    7.938     0.005   .   1   .   .   .   .   .   122   LEU   HN   .   51987   1
      224   .   1   .   1   122   122   LEU   N   N   15   119.947   0.050   .   1   .   .   .   .   .   122   LEU   N    .   51987   1
      225   .   1   .   1   123   123   LEU   H   H   1    8.276     0.005   .   1   .   .   .   .   .   123   LEU   HN   .   51987   1
      226   .   1   .   1   123   123   LEU   N   N   15   117.210   0.050   .   1   .   .   .   .   .   123   LEU   N    .   51987   1
      227   .   1   .   1   124   124   GLU   H   H   1    7.558     0.005   .   1   .   .   .   .   .   124   GLU   HN   .   51987   1
      228   .   1   .   1   124   124   GLU   N   N   15   120.909   0.050   .   1   .   .   .   .   .   124   GLU   N    .   51987   1
      229   .   1   .   1   125   125   ARG   H   H   1    8.172     0.005   .   1   .   .   .   .   .   125   ARG   HN   .   51987   1
      230   .   1   .   1   125   125   ARG   N   N   15   120.846   0.050   .   1   .   .   .   .   .   125   ARG   N    .   51987   1
      231   .   1   .   1   126   126   MET   H   H   1    7.288     0.005   .   1   .   .   .   .   .   126   MET   HN   .   51987   1
      232   .   1   .   1   126   126   MET   N   N   15   113.028   0.050   .   1   .   .   .   .   .   126   MET   N    .   51987   1
      233   .   1   .   1   127   127   ASN   H   H   1    8.013     0.005   .   1   .   .   .   .   .   127   ASN   HN   .   51987   1
      234   .   1   .   1   127   127   ASN   N   N   15   117.139   0.050   .   1   .   .   .   .   .   127   ASN   N    .   51987   1
      235   .   1   .   1   128   128   LEU   H   H   1    8.700     0.005   .   1   .   .   .   .   .   128   LEU   HN   .   51987   1
      236   .   1   .   1   128   128   LEU   N   N   15   114.148   0.050   .   1   .   .   .   .   .   128   LEU   N    .   51987   1
      237   .   1   .   1   129   129   THR   H   H   1    7.432     0.005   .   1   .   .   .   .   .   129   THR   HN   .   51987   1
      238   .   1   .   1   129   129   THR   N   N   15   115.531   0.050   .   1   .   .   .   .   .   129   THR   N    .   51987   1
      239   .   1   .   1   130   130   GLY   H   H   1    8.622     0.005   .   1   .   .   .   .   .   130   GLY   HN   .   51987   1
      240   .   1   .   1   130   130   GLY   N   N   15   106.301   0.050   .   1   .   .   .   .   .   130   GLY   N    .   51987   1
      241   .   1   .   1   131   131   TYR   H   H   1    7.776     0.005   .   1   .   .   .   .   .   131   TYR   HN   .   51987   1
      242   .   1   .   1   131   131   TYR   N   N   15   116.079   0.050   .   1   .   .   .   .   .   131   TYR   N    .   51987   1
      243   .   1   .   1   132   132   PHE   H   H   1    7.365     0.005   .   1   .   .   .   .   .   132   PHE   HN   .   51987   1
      244   .   1   .   1   132   132   PHE   N   N   15   115.288   0.050   .   1   .   .   .   .   .   132   PHE   N    .   51987   1
      245   .   1   .   1   133   133   ASP   H   H   1    9.224     0.005   .   1   .   .   .   .   .   133   ASP   HN   .   51987   1
      246   .   1   .   1   133   133   ASP   N   N   15   124.715   0.050   .   1   .   .   .   .   .   133   ASP   N    .   51987   1
      247   .   1   .   1   134   134   ALA   H   H   1    7.676     0.005   .   1   .   .   .   .   .   134   ALA   HN   .   51987   1
      248   .   1   .   1   134   134   ALA   N   N   15   115.691   0.050   .   1   .   .   .   .   .   134   ALA   N    .   51987   1
      249   .   1   .   1   135   135   ILE   H   H   1    8.596     0.005   .   1   .   .   .   .   .   135   ILE   HN   .   51987   1
      250   .   1   .   1   135   135   ILE   N   N   15   121.431   0.050   .   1   .   .   .   .   .   135   ILE   N    .   51987   1
      251   .   1   .   1   136   136   ALA   H   H   1    8.567     0.005   .   1   .   .   .   .   .   136   ALA   HN   .   51987   1
      252   .   1   .   1   136   136   ALA   N   N   15   130.604   0.050   .   1   .   .   .   .   .   136   ALA   N    .   51987   1
      253   .   1   .   1   137   137   ASP   H   H   1    8.472     0.005   .   1   .   .   .   .   .   137   ASP   HN   .   51987   1
      254   .   1   .   1   137   137   ASP   N   N   15   124.189   0.050   .   1   .   .   .   .   .   137   ASP   N    .   51987   1
      255   .   1   .   1   139   139   ALA   H   H   1    8.466     0.005   .   1   .   .   .   .   .   139   ALA   HN   .   51987   1
      256   .   1   .   1   139   139   ALA   N   N   15   121.465   0.050   .   1   .   .   .   .   .   139   ALA   N    .   51987   1
      257   .   1   .   1   140   140   GLU   H   H   1    7.764     0.005   .   1   .   .   .   .   .   140   GLU   HN   .   51987   1
      258   .   1   .   1   140   140   GLU   N   N   15   117.824   0.050   .   1   .   .   .   .   .   140   GLU   N    .   51987   1
      259   .   1   .   1   141   141   VAL   H   H   1    7.486     0.005   .   1   .   .   .   .   .   141   VAL   HN   .   51987   1
      260   .   1   .   1   141   141   VAL   N   N   15   117.103   0.050   .   1   .   .   .   .   .   141   VAL   N    .   51987   1
      261   .   1   .   1   142   142   ALA   H   H   1    8.004     0.005   .   1   .   .   .   .   .   142   ALA   HN   .   51987   1
      262   .   1   .   1   142   142   ALA   N   N   15   124.802   0.050   .   1   .   .   .   .   .   142   ALA   N    .   51987   1
      263   .   1   .   1   143   143   ALA   H   H   1    7.996     0.005   .   1   .   .   .   .   .   143   ALA   HN   .   51987   1
      264   .   1   .   1   143   143   ALA   N   N   15   121.230   0.050   .   1   .   .   .   .   .   143   ALA   N    .   51987   1
      265   .   1   .   1   144   144   SER   H   H   1    7.949     0.005   .   1   .   .   .   .   .   144   SER   HN   .   51987   1
      266   .   1   .   1   144   144   SER   N   N   15   113.718   0.050   .   1   .   .   .   .   .   144   SER   N    .   51987   1
      267   .   1   .   1   151   151   PHE   H   H   1    7.246     0.005   .   1   .   .   .   .   .   151   PHE   HN   .   51987   1
      268   .   1   .   1   151   151   PHE   N   N   15   120.848   0.050   .   1   .   .   .   .   .   151   PHE   N    .   51987   1
      269   .   1   .   1   152   152   ILE   H   H   1    7.914     0.005   .   1   .   .   .   .   .   152   ILE   HN   .   51987   1
      270   .   1   .   1   152   152   ILE   N   N   15   119.695   0.050   .   1   .   .   .   .   .   152   ILE   N    .   51987   1
      271   .   1   .   1   153   153   ALA   H   H   1    8.204     0.005   .   1   .   .   .   .   .   153   ALA   HN   .   51987   1
      272   .   1   .   1   153   153   ALA   N   N   15   120.444   0.050   .   1   .   .   .   .   .   153   ALA   N    .   51987   1
      273   .   1   .   1   154   154   ALA   H   H   1    7.991     0.005   .   1   .   .   .   .   .   154   ALA   HN   .   51987   1
      274   .   1   .   1   154   154   ALA   N   N   15   122.154   0.050   .   1   .   .   .   .   .   154   ALA   N    .   51987   1
      275   .   1   .   1   155   155   ALA   H   H   1    7.578     0.005   .   1   .   .   .   .   .   155   ALA   HN   .   51987   1
      276   .   1   .   1   155   155   ALA   N   N   15   118.809   0.050   .   1   .   .   .   .   .   155   ALA   N    .   51987   1
      277   .   1   .   1   156   156   HIS   H   H   1    8.465     0.005   .   1   .   .   .   .   .   156   HIS   HN   .   51987   1
      278   .   1   .   1   156   156   HIS   N   N   15   116.666   0.050   .   1   .   .   .   .   .   156   HIS   N    .   51987   1
      279   .   1   .   1   157   157   ALA   H   H   1    8.338     0.005   .   1   .   .   .   .   .   157   ALA   HN   .   51987   1
      280   .   1   .   1   157   157   ALA   N   N   15   122.083   0.050   .   1   .   .   .   .   .   157   ALA   N    .   51987   1
      281   .   1   .   1   158   158   VAL   H   H   1    7.285     0.005   .   1   .   .   .   .   .   158   VAL   HN   .   51987   1
      282   .   1   .   1   158   158   VAL   N   N   15   107.778   0.050   .   1   .   .   .   .   .   158   VAL   N    .   51987   1
      283   .   1   .   1   159   159   GLY   H   H   1    7.817     0.005   .   1   .   .   .   .   .   159   GLY   HN   .   51987   1
      284   .   1   .   1   159   159   GLY   N   N   15   110.110   0.050   .   1   .   .   .   .   .   159   GLY   N    .   51987   1
      285   .   1   .   1   160   160   VAL   H   H   1    7.718     0.005   .   1   .   .   .   .   .   160   VAL   HN   .   51987   1
      286   .   1   .   1   160   160   VAL   N   N   15   116.838   0.050   .   1   .   .   .   .   .   160   VAL   N    .   51987   1
      287   .   1   .   1   161   161   ALA   H   H   1    8.674     0.005   .   1   .   .   .   .   .   161   ALA   HN   .   51987   1
      288   .   1   .   1   161   161   ALA   N   N   15   125.531   0.050   .   1   .   .   .   .   .   161   ALA   N    .   51987   1
      289   .   1   .   1   163   163   SER   H   H   1    7.735     0.005   .   1   .   .   .   .   .   163   SER   HN   .   51987   1
      290   .   1   .   1   163   163   SER   N   N   15   106.588   0.050   .   1   .   .   .   .   .   163   SER   N    .   51987   1
      291   .   1   .   1   164   164   GLU   H   H   1    7.879     0.005   .   1   .   .   .   .   .   164   GLU   HN   .   51987   1
      292   .   1   .   1   164   164   GLU   N   N   15   121.662   0.050   .   1   .   .   .   .   .   164   GLU   N    .   51987   1
      293   .   1   .   1   165   165   SER   H   H   1    8.061     0.005   .   1   .   .   .   .   .   165   SER   HN   .   51987   1
      294   .   1   .   1   165   165   SER   N   N   15   114.991   0.050   .   1   .   .   .   .   .   165   SER   N    .   51987   1
      295   .   1   .   1   166   166   ILE   H   H   1    7.685     0.005   .   1   .   .   .   .   .   166   ILE   HN   .   51987   1
      296   .   1   .   1   166   166   ILE   N   N   15   121.686   0.050   .   1   .   .   .   .   .   166   ILE   N    .   51987   1
      297   .   1   .   1   167   167   GLY   H   H   1    8.725     0.005   .   1   .   .   .   .   .   167   GLY   HN   .   51987   1
      298   .   1   .   1   167   167   GLY   N   N   15   112.458   0.050   .   1   .   .   .   .   .   167   GLY   N    .   51987   1
      299   .   1   .   1   168   168   LEU   H   H   1    7.915     0.005   .   1   .   .   .   .   .   168   LEU   HN   .   51987   1
      300   .   1   .   1   168   168   LEU   N   N   15   123.773   0.050   .   1   .   .   .   .   .   168   LEU   N    .   51987   1
      301   .   1   .   1   169   169   GLU   H   H   1    6.823     0.005   .   1   .   .   .   .   .   169   GLU   HN   .   51987   1
      302   .   1   .   1   169   169   GLU   N   N   15   123.884   0.050   .   1   .   .   .   .   .   169   GLU   N    .   51987   1
      303   .   1   .   1   173   173   ALA   H   H   1    8.820     0.005   .   1   .   .   .   .   .   173   ALA   HN   .   51987   1
      304   .   1   .   1   173   173   ALA   N   N   15   121.001   0.050   .   1   .   .   .   .   .   173   ALA   N    .   51987   1
      305   .   1   .   1   174   174   GLY   H   H   1    7.926     0.005   .   1   .   .   .   .   .   174   GLY   HN   .   51987   1
      306   .   1   .   1   174   174   GLY   N   N   15   107.576   0.050   .   1   .   .   .   .   .   174   GLY   N    .   51987   1
      307   .   1   .   1   175   175   ILE   H   H   1    8.153     0.005   .   1   .   .   .   .   .   175   ILE   HN   .   51987   1
      308   .   1   .   1   175   175   ILE   N   N   15   122.698   0.050   .   1   .   .   .   .   .   175   ILE   N    .   51987   1
      309   .   1   .   1   177   177   ALA   H   H   1    7.832     0.005   .   1   .   .   .   .   .   177   ALA   HN   .   51987   1
      310   .   1   .   1   177   177   ALA   N   N   15   122.409   0.050   .   1   .   .   .   .   .   177   ALA   N    .   51987   1
      311   .   1   .   1   178   178   ILE   H   H   1    8.046     0.005   .   1   .   .   .   .   .   178   ILE   HN   .   51987   1
      312   .   1   .   1   178   178   ILE   N   N   15   118.933   0.050   .   1   .   .   .   .   .   178   ILE   N    .   51987   1
      313   .   1   .   1   179   179   LYS   H   H   1    8.364     0.005   .   1   .   .   .   .   .   179   LYS   HN   .   51987   1
      314   .   1   .   1   179   179   LYS   N   N   15   121.209   0.050   .   1   .   .   .   .   .   179   LYS   N    .   51987   1
      315   .   1   .   1   180   180   ASP   H   H   1    8.782     0.005   .   1   .   .   .   .   .   180   ASP   HN   .   51987   1
      316   .   1   .   1   180   180   ASP   N   N   15   120.718   0.050   .   1   .   .   .   .   .   180   ASP   N    .   51987   1
      317   .   1   .   1   181   181   SER   H   H   1    8.070     0.005   .   1   .   .   .   .   .   181   SER   HN   .   51987   1
      318   .   1   .   1   181   181   SER   N   N   15   116.287   0.050   .   1   .   .   .   .   .   181   SER   N    .   51987   1
      319   .   1   .   1   182   182   GLY   H   H   1    7.382     0.005   .   1   .   .   .   .   .   182   GLY   HN   .   51987   1
      320   .   1   .   1   182   182   GLY   N   N   15   108.835   0.050   .   1   .   .   .   .   .   182   GLY   N    .   51987   1
      321   .   1   .   1   183   183   ALA   H   H   1    7.186     0.005   .   1   .   .   .   .   .   183   ALA   HN   .   51987   1
      322   .   1   .   1   183   183   ALA   N   N   15   124.406   0.050   .   1   .   .   .   .   .   183   ALA   N    .   51987   1
      323   .   1   .   1   184   184   LEU   H   H   1    8.148     0.005   .   1   .   .   .   .   .   184   LEU   HN   .   51987   1
      324   .   1   .   1   184   184   LEU   N   N   15   122.584   0.050   .   1   .   .   .   .   .   184   LEU   N    .   51987   1
      325   .   1   .   1   186   186   ILE   H   H   1    8.335     0.005   .   1   .   .   .   .   .   186   ILE   HN   .   51987   1
      326   .   1   .   1   186   186   ILE   N   N   15   119.343   0.050   .   1   .   .   .   .   .   186   ILE   N    .   51987   1
      327   .   1   .   1   187   187   GLY   H   H   1    8.857     0.005   .   1   .   .   .   .   .   187   GLY   HN   .   51987   1
      328   .   1   .   1   187   187   GLY   N   N   15   115.467   0.050   .   1   .   .   .   .   .   187   GLY   N    .   51987   1
      329   .   1   .   1   188   188   VAL   H   H   1    7.562     0.005   .   1   .   .   .   .   .   188   VAL   HN   .   51987   1
      330   .   1   .   1   188   188   VAL   N   N   15   117.941   0.050   .   1   .   .   .   .   .   188   VAL   N    .   51987   1
      331   .   1   .   1   189   189   GLY   H   H   1    8.294     0.005   .   1   .   .   .   .   .   189   GLY   HN   .   51987   1
      332   .   1   .   1   189   189   GLY   N   N   15   113.386   0.050   .   1   .   .   .   .   .   189   GLY   N    .   51987   1
      333   .   1   .   1   190   190   ARG   H   H   1    8.602     0.005   .   1   .   .   .   .   .   190   ARG   HN   .   51987   1
      334   .   1   .   1   190   190   ARG   N   N   15   120.842   0.050   .   1   .   .   .   .   .   190   ARG   N    .   51987   1
      335   .   1   .   1   192   192   GLU   H   H   1    9.617     0.005   .   1   .   .   .   .   .   192   GLU   HN   .   51987   1
      336   .   1   .   1   192   192   GLU   N   N   15   118.591   0.050   .   1   .   .   .   .   .   192   GLU   N    .   51987   1
      337   .   1   .   1   193   193   ASP   H   H   1    7.237     0.005   .   1   .   .   .   .   .   193   ASP   HN   .   51987   1
      338   .   1   .   1   193   193   ASP   N   N   15   115.821   0.050   .   1   .   .   .   .   .   193   ASP   N    .   51987   1
      339   .   1   .   1   194   194   LEU   H   H   1    7.583     0.005   .   1   .   .   .   .   .   194   LEU   HN   .   51987   1
      340   .   1   .   1   194   194   LEU   N   N   15   117.190   0.050   .   1   .   .   .   .   .   194   LEU   N    .   51987   1
      341   .   1   .   1   195   195   GLY   H   H   1    8.030     0.005   .   1   .   .   .   .   .   195   GLY   HN   .   51987   1
      342   .   1   .   1   195   195   GLY   N   N   15   107.372   0.050   .   1   .   .   .   .   .   195   GLY   N    .   51987   1
      343   .   1   .   1   196   196   ASP   H   H   1    7.982     0.005   .   1   .   .   .   .   .   196   ASP   HN   .   51987   1
      344   .   1   .   1   196   196   ASP   N   N   15   117.113   0.050   .   1   .   .   .   .   .   196   ASP   N    .   51987   1
      345   .   1   .   1   197   197   ASP   H   H   1    8.798     0.005   .   1   .   .   .   .   .   197   ASP   HN   .   51987   1
      346   .   1   .   1   197   197   ASP   N   N   15   117.188   0.050   .   1   .   .   .   .   .   197   ASP   N    .   51987   1
      347   .   1   .   1   198   198   ILE   H   H   1    6.935     0.005   .   1   .   .   .   .   .   198   ILE   HN   .   51987   1
      348   .   1   .   1   198   198   ILE   N   N   15   115.035   0.050   .   1   .   .   .   .   .   198   ILE   N    .   51987   1
      349   .   1   .   1   199   199   VAL   H   H   1    9.041     0.005   .   1   .   .   .   .   .   199   VAL   HN   .   51987   1
      350   .   1   .   1   199   199   VAL   N   N   15   126.461   0.050   .   1   .   .   .   .   .   199   VAL   N    .   51987   1
      351   .   1   .   1   200   200   ILE   H   H   1    7.984     0.005   .   1   .   .   .   .   .   200   ILE   HN   .   51987   1
      352   .   1   .   1   200   200   ILE   N   N   15   125.920   0.050   .   1   .   .   .   .   .   200   ILE   N    .   51987   1
      353   .   1   .   1   201   201   VAL   H   H   1    8.739     0.005   .   1   .   .   .   .   .   201   VAL   HN   .   51987   1
      354   .   1   .   1   201   201   VAL   N   N   15   119.897   0.050   .   1   .   .   .   .   .   201   VAL   N    .   51987   1
      355   .   1   .   1   203   203   ASP   H   H   1    6.850     0.005   .   1   .   .   .   .   .   203   ASP   HN   .   51987   1
      356   .   1   .   1   203   203   ASP   N   N   15   109.956   0.050   .   1   .   .   .   .   .   203   ASP   N    .   51987   1
      357   .   1   .   1   204   204   THR   H   H   1    8.222     0.005   .   1   .   .   .   .   .   204   THR   HN   .   51987   1
      358   .   1   .   1   204   204   THR   N   N   15   108.868   0.050   .   1   .   .   .   .   .   204   THR   N    .   51987   1
      359   .   1   .   1   205   205   SER   H   H   1    8.902     0.005   .   1   .   .   .   .   .   205   SER   HN   .   51987   1
      360   .   1   .   1   205   205   SER   N   N   15   119.438   0.050   .   1   .   .   .   .   .   205   SER   N    .   51987   1
      361   .   1   .   1   206   206   HIS   H   H   1    7.182     0.005   .   1   .   .   .   .   .   206   HIS   HN   .   51987   1
      362   .   1   .   1   206   206   HIS   N   N   15   118.353   0.050   .   1   .   .   .   .   .   206   HIS   N    .   51987   1
      363   .   1   .   1   207   207   TYR   H   H   1    7.833     0.005   .   1   .   .   .   .   .   207   TYR   HN   .   51987   1
      364   .   1   .   1   207   207   TYR   N   N   15   119.745   0.050   .   1   .   .   .   .   .   207   TYR   N    .   51987   1
      365   .   1   .   1   208   208   THR   H   H   1    7.401     0.005   .   1   .   .   .   .   .   208   THR   HN   .   51987   1
      366   .   1   .   1   208   208   THR   N   N   15   114.556   0.050   .   1   .   .   .   .   .   208   THR   N    .   51987   1
      367   .   1   .   1   209   209   LEU   H   H   1    9.515     0.005   .   1   .   .   .   .   .   209   LEU   HN   .   51987   1
      368   .   1   .   1   209   209   LEU   N   N   15   125.040   0.050   .   1   .   .   .   .   .   209   LEU   N    .   51987   1
      369   .   1   .   1   210   210   GLU   H   H   1    8.596     0.005   .   1   .   .   .   .   .   210   GLU   HN   .   51987   1
      370   .   1   .   1   210   210   GLU   N   N   15   116.592   0.050   .   1   .   .   .   .   .   210   GLU   N    .   51987   1
      371   .   1   .   1   211   211   PHE   H   H   1    8.202     0.005   .   1   .   .   .   .   .   211   PHE   HN   .   51987   1
      372   .   1   .   1   211   211   PHE   N   N   15   122.205   0.050   .   1   .   .   .   .   .   211   PHE   N    .   51987   1
      373   .   1   .   1   212   212   LEU   H   H   1    8.410     0.005   .   1   .   .   .   .   .   212   LEU   HN   .   51987   1
      374   .   1   .   1   212   212   LEU   N   N   15   119.502   0.050   .   1   .   .   .   .   .   212   LEU   N    .   51987   1
      375   .   1   .   1   213   213   LYS   H   H   1    8.409     0.005   .   1   .   .   .   .   .   213   LYS   HN   .   51987   1
      376   .   1   .   1   213   213   LYS   N   N   15   116.108   0.050   .   1   .   .   .   .   .   213   LYS   N    .   51987   1
      377   .   1   .   1   214   214   GLU   H   H   1    7.807     0.005   .   1   .   .   .   .   .   214   GLU   HN   .   51987   1
      378   .   1   .   1   214   214   GLU   N   N   15   120.348   0.050   .   1   .   .   .   .   .   214   GLU   N    .   51987   1
      379   .   1   .   1   215   215   VAL   H   H   1    8.263     0.005   .   1   .   .   .   .   .   215   VAL   HN   .   51987   1
      380   .   1   .   1   215   215   VAL   N   N   15   120.050   0.050   .   1   .   .   .   .   .   215   VAL   N    .   51987   1
      381   .   1   .   1   216   216   TRP   H   H   1    8.469     0.005   .   1   .   .   .   .   .   216   TRP   HN   .   51987   1
      382   .   1   .   1   216   216   TRP   N   N   15   120.742   0.050   .   1   .   .   .   .   .   216   TRP   N    .   51987   1
      383   .   1   .   1   217   217   LEU   H   H   1    8.213     0.005   .   1   .   .   .   .   .   217   LEU   HN   .   51987   1
      384   .   1   .   1   217   217   LEU   N   N   15   117.009   0.050   .   1   .   .   .   .   .   217   LEU   N    .   51987   1
      385   .   1   .   1   218   218   GLN   H   H   1    7.820     0.005   .   1   .   .   .   .   .   218   GLN   HN   .   51987   1
      386   .   1   .   1   218   218   GLN   N   N   15   117.929   0.050   .   1   .   .   .   .   .   218   GLN   N    .   51987   1
      387   .   1   .   1   219   219   LYS   H   H   1    7.545     0.005   .   1   .   .   .   .   .   219   LYS   HN   .   51987   1
      388   .   1   .   1   219   219   LYS   N   N   15   117.979   0.050   .   1   .   .   .   .   .   219   LYS   N    .   51987   1
      389   .   1   .   1   220   220   GLN   H   H   1    7.684     0.005   .   1   .   .   .   .   .   220   GLN   HN   .   51987   1
      390   .   1   .   1   220   220   GLN   N   N   15   119.981   0.050   .   1   .   .   .   .   .   220   GLN   N    .   51987   1
      391   .   1   .   1   221   221   LYS   H   H   1    7.588     0.005   .   1   .   .   .   .   .   221   LYS   HN   .   51987   1
      392   .   1   .   1   221   221   LYS   N   N   15   127.504   0.050   .   1   .   .   .   .   .   221   LYS   N    .   51987   1
   stop_
save_