data_27171


#######################
#  Entry information  #
#######################
save_entry_information
   _Entry.Sf_category                    entry_information
   _Entry.Sf_framecode                   entry_information
   _Entry.ID                             27171
   _Entry.Title
;
FXN_AIN_ISCU
;
   _Entry.Type                           macromolecule
   _Entry.Version_type                   original
   _Entry.Submission_date                2017-07-10
   _Entry.Accession_date                 2017-07-10
   _Entry.Last_release_date              2017-07-11
   _Entry.Original_release_date          2017-07-11
   _Entry.Origination                    author
   _Entry.Format_name                    .
   _Entry.NMR_STAR_version               3.2.0.16
   _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                        'Peak lists from 15N-HSQC spectra of FXN interacting with AIN or AINU'
   _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   Kai    Cai       .   .   .   .   27171
      2   John   Markley   .   .   .   .   27171
   stop_

   loop_
      _Data_set.Type
      _Data_set.Count
      _Data_set.Entry_ID

      spectral_peak_list   13   27171
   stop_

   loop_
      _Datum.Type
      _Datum.Count
      _Datum.Entry_ID

      .   .   27171
   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

      2   .   .   2018-05-17   2017-07-10   update     BMRB     'update entry citation'   27171
      1   .   .   2017-07-12   2017-07-10   original   author   'original release'        27171
   stop_

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

      BMRB   4342   'Assignment of the 1H, 15N, and 13C Resonances of the C-terminal Domain of Frataxin, the Protein Involved in Friedreich Ataxia.'   27171
   stop_
save_


###############
#  Citations  #
###############
save_entry_citation
   _Citation.Sf_category                  citations
   _Citation.Sf_framecode                 entry_citation
   _Citation.Entry_ID                     27171
   _Citation.ID                           1
   _Citation.Class                        'entry citation'
   _Citation.CAS_abstract_code            .
   _Citation.MEDLINE_UI_code              .
   _Citation.DOI                          10.1016/j.jinorgbio.2018.03.007
   _Citation.PubMed_ID                    29576242
   _Citation.Full_citation                .
   _Citation.Title
;
Interactions of iron-bound frataxin with ISCU and ferredoxin on the cysteine desulfurase complex leading to Fe-S cluster assembly.
;
   _Citation.Status                       published
   _Citation.Type                         journal
   _Citation.Journal_abbrev               'J. Inorg. Biochem.'
   _Citation.Journal_name_full            'Journal of inorganic biochemistry'
   _Citation.Journal_volume               183
   _Citation.Journal_issue                .
   _Citation.Journal_ASTM                 .
   _Citation.Journal_ISSN                 1873-3344
   _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                   107
   _Citation.Page_last                    116
   _Citation.Year                         2018
   _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   Kai      Cai         K.   .    .   .   27171   1
      2   Ronnie   Frederick   R.   O.   .   .   27171   1
      3   Marco    Tonelli     M.   .    .   .   27171   1
      4   John     Markley     J.   L.   .   .   27171   1
   stop_
save_


#############################################
#  Molecular system (assembly) description  #
#############################################
save_assembly
   _Assembly.Sf_category                       assembly
   _Assembly.Sf_framecode                      assembly
   _Assembly.Entry_ID                          27171
   _Assembly.ID                                1
   _Assembly.Name                              Frataxin
   _Assembly.BMRB_code                         .
   _Assembly.Number_of_components              .
   _Assembly.Organic_ligands                   .
   _Assembly.Metal_ions                        .
   _Assembly.Non_standard_bonds                .
   _Assembly.Ambiguous_conformational_states   .
   _Assembly.Ambiguous_chem_comp_sites         .
   _Assembly.Molecules_in_chemical_exchange    .
   _Assembly.Paramagnetic                      no
   _Assembly.Thiol_state                       .
   _Assembly.Molecular_mass                    .
   _Assembly.Enzyme_commission_number          .
   _Assembly.Details                           .
   _Assembly.DB_query_date                     .
   _Assembly.DB_query_revised_last_date        .

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

      1   'Frataxin Mature Version'   1   $Frataxin   A   .   yes   native   no   no   .   .   .   27171   1
   stop_
save_


    ####################################
    #  Biological polymers and ligands #
    ####################################
save_Frataxin
   _Entity.Sf_category                       entity
   _Entity.Sf_framecode                      Frataxin
   _Entity.Entry_ID                          27171
   _Entity.ID                                1
   _Entity.BMRB_code                         .
   _Entity.Name                              Frataxin
   _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
;
SGTLGHPGSLDETTYERLAE
ETLDSLAEFFEDLADKPYTF
EDYDVSFGSGVLTVKLGGDL
GTYVINKQTPNKQIWLSSPS
SGPKRYDWTGKNWVFSHDGV
SLHELLAAELTKALKTKLDL
SWLAYSGKDA
;
   _Entity.Target_identifier                 .
   _Entity.Polymer_author_defined_seq        .
   _Entity.Polymer_author_seq_details        .
   _Entity.Ambiguous_conformational_states   no
   _Entity.Ambiguous_chem_comp_sites         no
   _Entity.Nstd_monomer                      no
   _Entity.Nstd_chirality                    no
   _Entity.Nstd_linkage                      no
   _Entity.Nonpolymer_comp_ID                .
   _Entity.Nonpolymer_comp_label             .
   _Entity.Number_of_monomers                130
   _Entity.Number_of_nonpolymer_components   .
   _Entity.Paramagnetic                      no
   _Entity.Thiol_state                       'not present'
   _Entity.Src_method                        .
   _Entity.Parent_entity_ID                  .
   _Entity.Fragment                          .
   _Entity.Mutation                          .
   _Entity.EC_number                         .
   _Entity.Calc_isoelectric_point            .
   _Entity.Formula_weight                    .
   _Entity.Formula_weight_exptl              .
   _Entity.Formula_weight_exptl_meth         .
   _Entity.Details                           .
   _Entity.DB_query_date                     .
   _Entity.DB_query_revised_last_date        .

   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     .   SER   .   27171   1
      2     .   GLY   .   27171   1
      3     .   THR   .   27171   1
      4     .   LEU   .   27171   1
      5     .   GLY   .   27171   1
      6     .   HIS   .   27171   1
      7     .   PRO   .   27171   1
      8     .   GLY   .   27171   1
      9     .   SER   .   27171   1
      10    .   LEU   .   27171   1
      11    .   ASP   .   27171   1
      12    .   GLU   .   27171   1
      13    .   THR   .   27171   1
      14    .   THR   .   27171   1
      15    .   TYR   .   27171   1
      16    .   GLU   .   27171   1
      17    .   ARG   .   27171   1
      18    .   LEU   .   27171   1
      19    .   ALA   .   27171   1
      20    .   GLU   .   27171   1
      21    .   GLU   .   27171   1
      22    .   THR   .   27171   1
      23    .   LEU   .   27171   1
      24    .   ASP   .   27171   1
      25    .   SER   .   27171   1
      26    .   LEU   .   27171   1
      27    .   ALA   .   27171   1
      28    .   GLU   .   27171   1
      29    .   PHE   .   27171   1
      30    .   PHE   .   27171   1
      31    .   GLU   .   27171   1
      32    .   ASP   .   27171   1
      33    .   LEU   .   27171   1
      34    .   ALA   .   27171   1
      35    .   ASP   .   27171   1
      36    .   LYS   .   27171   1
      37    .   PRO   .   27171   1
      38    .   TYR   .   27171   1
      39    .   THR   .   27171   1
      40    .   PHE   .   27171   1
      41    .   GLU   .   27171   1
      42    .   ASP   .   27171   1
      43    .   TYR   .   27171   1
      44    .   ASP   .   27171   1
      45    .   VAL   .   27171   1
      46    .   SER   .   27171   1
      47    .   PHE   .   27171   1
      48    .   GLY   .   27171   1
      49    .   SER   .   27171   1
      50    .   GLY   .   27171   1
      51    .   VAL   .   27171   1
      52    .   LEU   .   27171   1
      53    .   THR   .   27171   1
      54    .   VAL   .   27171   1
      55    .   LYS   .   27171   1
      56    .   LEU   .   27171   1
      57    .   GLY   .   27171   1
      58    .   GLY   .   27171   1
      59    .   ASP   .   27171   1
      60    .   LEU   .   27171   1
      61    .   GLY   .   27171   1
      62    .   THR   .   27171   1
      63    .   TYR   .   27171   1
      64    .   VAL   .   27171   1
      65    .   ILE   .   27171   1
      66    .   ASN   .   27171   1
      67    .   LYS   .   27171   1
      68    .   GLN   .   27171   1
      69    .   THR   .   27171   1
      70    .   PRO   .   27171   1
      71    .   ASN   .   27171   1
      72    .   LYS   .   27171   1
      73    .   GLN   .   27171   1
      74    .   ILE   .   27171   1
      75    .   TRP   .   27171   1
      76    .   LEU   .   27171   1
      77    .   SER   .   27171   1
      78    .   SER   .   27171   1
      79    .   PRO   .   27171   1
      80    .   SER   .   27171   1
      81    .   SER   .   27171   1
      82    .   GLY   .   27171   1
      83    .   PRO   .   27171   1
      84    .   LYS   .   27171   1
      85    .   ARG   .   27171   1
      86    .   TYR   .   27171   1
      87    .   ASP   .   27171   1
      88    .   TRP   .   27171   1
      89    .   THR   .   27171   1
      90    .   GLY   .   27171   1
      91    .   LYS   .   27171   1
      92    .   ASN   .   27171   1
      93    .   TRP   .   27171   1
      94    .   VAL   .   27171   1
      95    .   PHE   .   27171   1
      96    .   SER   .   27171   1
      97    .   HIS   .   27171   1
      98    .   ASP   .   27171   1
      99    .   GLY   .   27171   1
      100   .   VAL   .   27171   1
      101   .   SER   .   27171   1
      102   .   LEU   .   27171   1
      103   .   HIS   .   27171   1
      104   .   GLU   .   27171   1
      105   .   LEU   .   27171   1
      106   .   LEU   .   27171   1
      107   .   ALA   .   27171   1
      108   .   ALA   .   27171   1
      109   .   GLU   .   27171   1
      110   .   LEU   .   27171   1
      111   .   THR   .   27171   1
      112   .   LYS   .   27171   1
      113   .   ALA   .   27171   1
      114   .   LEU   .   27171   1
      115   .   LYS   .   27171   1
      116   .   THR   .   27171   1
      117   .   LYS   .   27171   1
      118   .   LEU   .   27171   1
      119   .   ASP   .   27171   1
      120   .   LEU   .   27171   1
      121   .   SER   .   27171   1
      122   .   TRP   .   27171   1
      123   .   LEU   .   27171   1
      124   .   ALA   .   27171   1
      125   .   TYR   .   27171   1
      126   .   SER   .   27171   1
      127   .   GLY   .   27171   1
      128   .   LYS   .   27171   1
      129   .   ASP   .   27171   1
      130   .   ALA   .   27171   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

      .   SER   1     1     27171   1
      .   GLY   2     2     27171   1
      .   THR   3     3     27171   1
      .   LEU   4     4     27171   1
      .   GLY   5     5     27171   1
      .   HIS   6     6     27171   1
      .   PRO   7     7     27171   1
      .   GLY   8     8     27171   1
      .   SER   9     9     27171   1
      .   LEU   10    10    27171   1
      .   ASP   11    11    27171   1
      .   GLU   12    12    27171   1
      .   THR   13    13    27171   1
      .   THR   14    14    27171   1
      .   TYR   15    15    27171   1
      .   GLU   16    16    27171   1
      .   ARG   17    17    27171   1
      .   LEU   18    18    27171   1
      .   ALA   19    19    27171   1
      .   GLU   20    20    27171   1
      .   GLU   21    21    27171   1
      .   THR   22    22    27171   1
      .   LEU   23    23    27171   1
      .   ASP   24    24    27171   1
      .   SER   25    25    27171   1
      .   LEU   26    26    27171   1
      .   ALA   27    27    27171   1
      .   GLU   28    28    27171   1
      .   PHE   29    29    27171   1
      .   PHE   30    30    27171   1
      .   GLU   31    31    27171   1
      .   ASP   32    32    27171   1
      .   LEU   33    33    27171   1
      .   ALA   34    34    27171   1
      .   ASP   35    35    27171   1
      .   LYS   36    36    27171   1
      .   PRO   37    37    27171   1
      .   TYR   38    38    27171   1
      .   THR   39    39    27171   1
      .   PHE   40    40    27171   1
      .   GLU   41    41    27171   1
      .   ASP   42    42    27171   1
      .   TYR   43    43    27171   1
      .   ASP   44    44    27171   1
      .   VAL   45    45    27171   1
      .   SER   46    46    27171   1
      .   PHE   47    47    27171   1
      .   GLY   48    48    27171   1
      .   SER   49    49    27171   1
      .   GLY   50    50    27171   1
      .   VAL   51    51    27171   1
      .   LEU   52    52    27171   1
      .   THR   53    53    27171   1
      .   VAL   54    54    27171   1
      .   LYS   55    55    27171   1
      .   LEU   56    56    27171   1
      .   GLY   57    57    27171   1
      .   GLY   58    58    27171   1
      .   ASP   59    59    27171   1
      .   LEU   60    60    27171   1
      .   GLY   61    61    27171   1
      .   THR   62    62    27171   1
      .   TYR   63    63    27171   1
      .   VAL   64    64    27171   1
      .   ILE   65    65    27171   1
      .   ASN   66    66    27171   1
      .   LYS   67    67    27171   1
      .   GLN   68    68    27171   1
      .   THR   69    69    27171   1
      .   PRO   70    70    27171   1
      .   ASN   71    71    27171   1
      .   LYS   72    72    27171   1
      .   GLN   73    73    27171   1
      .   ILE   74    74    27171   1
      .   TRP   75    75    27171   1
      .   LEU   76    76    27171   1
      .   SER   77    77    27171   1
      .   SER   78    78    27171   1
      .   PRO   79    79    27171   1
      .   SER   80    80    27171   1
      .   SER   81    81    27171   1
      .   GLY   82    82    27171   1
      .   PRO   83    83    27171   1
      .   LYS   84    84    27171   1
      .   ARG   85    85    27171   1
      .   TYR   86    86    27171   1
      .   ASP   87    87    27171   1
      .   TRP   88    88    27171   1
      .   THR   89    89    27171   1
      .   GLY   90    90    27171   1
      .   LYS   91    91    27171   1
      .   ASN   92    92    27171   1
      .   TRP   93    93    27171   1
      .   VAL   94    94    27171   1
      .   PHE   95    95    27171   1
      .   SER   96    96    27171   1
      .   HIS   97    97    27171   1
      .   ASP   98    98    27171   1
      .   GLY   99    99    27171   1
      .   VAL   100   100   27171   1
      .   SER   101   101   27171   1
      .   LEU   102   102   27171   1
      .   HIS   103   103   27171   1
      .   GLU   104   104   27171   1
      .   LEU   105   105   27171   1
      .   LEU   106   106   27171   1
      .   ALA   107   107   27171   1
      .   ALA   108   108   27171   1
      .   GLU   109   109   27171   1
      .   LEU   110   110   27171   1
      .   THR   111   111   27171   1
      .   LYS   112   112   27171   1
      .   ALA   113   113   27171   1
      .   LEU   114   114   27171   1
      .   LYS   115   115   27171   1
      .   THR   116   116   27171   1
      .   LYS   117   117   27171   1
      .   LEU   118   118   27171   1
      .   ASP   119   119   27171   1
      .   LEU   120   120   27171   1
      .   SER   121   121   27171   1
      .   TRP   122   122   27171   1
      .   LEU   123   123   27171   1
      .   ALA   124   124   27171   1
      .   TYR   125   125   27171   1
      .   SER   126   126   27171   1
      .   GLY   127   127   27171   1
      .   LYS   128   128   27171   1
      .   ASP   129   129   27171   1
      .   ALA   130   130   27171   1
   stop_
save_


    ####################
    #  Natural source  #
    ####################
save_natural_source
   _Entity_natural_src_list.Sf_category    natural_source
   _Entity_natural_src_list.Sf_framecode   natural_source
   _Entity_natural_src_list.Entry_ID       27171
   _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   $Frataxin   .   9606   organism   .   'Homo sapiens'   Human   .   .   Eukaryota   Metazoa   Homo   sapiens   .   .   .   .   .   .   .   .   .   .   .   .   .   27171   1
   stop_
save_


    #########################
    #  Experimental source  #
    #########################
save_experimental_source
   _Entity_experimental_src_list.Sf_category    experimental_source
   _Entity_experimental_src_list.Sf_framecode   experimental_source
   _Entity_experimental_src_list.Entry_ID       27171
   _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   $Frataxin   .   'recombinant technology'   'Escherichia coli'   .   .   .   Escherichia   coli   .   .   .   .   .   .   pET-SUMO   .   .   .   27171   1
   stop_
save_


#####################################
#  Sample contents and methodology  #
#####################################
	 
    ########################
    #  Sample description  #
    ########################
save_sample_1
   _Sample.Sf_category                      sample
   _Sample.Sf_framecode                     sample_1
   _Sample.Entry_ID                         27171
   _Sample.ID                               1
   _Sample.Type                             solution
   _Sample.Sub_type                         .
   _Sample.Details                          .
   _Sample.Aggregate_sample_number          .
   _Sample.Solvent_system                   '90% H2O/10% D2O'
   _Sample.Preparation_date                 .
   _Sample.Preparation_expiration_date      .
   _Sample.Polycrystallization_protocol     .
   _Sample.Single_crystal_protocol          .
   _Sample.Crystal_grow_apparatus           .
   _Sample.Crystal_grow_atmosphere          .
   _Sample.Crystal_grow_details             .
   _Sample.Crystal_grow_method              .
   _Sample.Crystal_grow_method_cit_ID       .
   _Sample.Crystal_grow_pH                  .
   _Sample.Crystal_grow_pH_range            .
   _Sample.Crystal_grow_pressure            .
   _Sample.Crystal_grow_pressure_esd        .
   _Sample.Crystal_grow_seeding             .
   _Sample.Crystal_grow_seeding_cit_ID      .
   _Sample.Crystal_grow_temp                .
   _Sample.Crystal_grow_temp_details        .
   _Sample.Crystal_grow_temp_esd            .
   _Sample.Crystal_grow_time                .
   _Sample.Oriented_sample_prep_protocol    .
   _Sample.Lyophilization_cryo_protectant   .
   _Sample.Storage_protocol                 .

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

      1   Frataxin   '[U-100% 15N]'   .   .   1   $Frataxin   .   .   0.3   .   .   mM   .   .   .   .   27171   1
   stop_
save_


#######################
#  Sample conditions  #
#######################
save_sample_conditions_1
   _Sample_condition_list.Sf_category    sample_conditions
   _Sample_condition_list.Sf_framecode   sample_conditions_1
   _Sample_condition_list.Entry_ID       27171
   _Sample_condition_list.ID             1
   _Sample_condition_list.Details        .

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

      'ionic strength'   0.15   .   M     27171   1
      pH                 7.6    .   pH    27171   1
      pressure           1      .   atm   27171   1
      temperature        298    .   K     27171   1
   stop_
save_


############################
#  Computer software used  #
############################
save_TOPSPIN
   _Software.Sf_category    software
   _Software.Sf_framecode   TOPSPIN
   _Software.Entry_ID       27171
   _Software.ID             1
   _Software.Type           .
   _Software.Name           TOPSPIN
   _Software.Version        .
   _Software.DOI            .
   _Software.Details        .

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

      'Bruker Biospin'   .   .   27171   1
   stop_

   loop_
      _Task.Task
      _Task.Entry_ID
      _Task.Software_ID

      collection   27171   1
   stop_
save_


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

    ##################################
    #  NMR Spectrometer definitions  #
    ##################################
save_spectrometer_1
   _NMR_spectrometer.Sf_category      NMR_spectrometer
   _NMR_spectrometer.Sf_framecode     spectrometer_1
   _NMR_spectrometer.Entry_ID         27171
   _NMR_spectrometer.ID               1
   _NMR_spectrometer.Details          .
   _NMR_spectrometer.Manufacturer     Bruker
   _NMR_spectrometer.Model            Avance
   _NMR_spectrometer.Serial_number    .
   _NMR_spectrometer.Field_strength   600
save_

save_spectrometer_2
   _NMR_spectrometer.Sf_category      NMR_spectrometer
   _NMR_spectrometer.Sf_framecode     spectrometer_2
   _NMR_spectrometer.Entry_ID         27171
   _NMR_spectrometer.ID               2
   _NMR_spectrometer.Details          .
   _NMR_spectrometer.Manufacturer     Bruker
   _NMR_spectrometer.Model            Avance
   _NMR_spectrometer.Serial_number    .
   _NMR_spectrometer.Field_strength   750
save_

save_NMR_spectrometer_list
   _NMR_spectrometer_list.Sf_category    NMR_spectrometer_list
   _NMR_spectrometer_list.Sf_framecode   NMR_spectrometer_list
   _NMR_spectrometer_list.Entry_ID       27171
   _NMR_spectrometer_list.ID             1

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

      1   spectrometer_1   Bruker   Avance   .   600   .   .   .   27171   1
      2   spectrometer_2   Bruker   Avance   .   750   .   .   .   27171   1
   stop_
save_


    #############################
    #  NMR applied experiments  #
    #############################
save_experiment_list
   _Experiment_list.Sf_category    experiment_list
   _Experiment_list.Sf_framecode   experiment_list
   _Experiment_list.Entry_ID       27171
   _Experiment_list.ID             1
   _Experiment_list.Details        .

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

      1   '2D 1H-15N HSQC'   no   .   .   .   .   .   .   .   .   .   .   1   $sample_1   isotropic   .   .   1   $sample_conditions_1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   27171   1
   stop_
save_


    #########################
    #  Spectral peak lists  #
    #########################
save_spectral_peak_list_1
   _Spectral_peak_list.Sf_category                      spectral_peak_list
   _Spectral_peak_list.Sf_framecode                     spectral_peak_list_1
   _Spectral_peak_list.Entry_ID                         27171
   _Spectral_peak_list.ID                               1
   _Spectral_peak_list.Sample_ID                        1
   _Spectral_peak_list.Sample_label                     $sample_1
   _Spectral_peak_list.Sample_condition_list_ID         1
   _Spectral_peak_list.Sample_condition_list_label      $sample_conditions_1
   _Spectral_peak_list.Experiment_ID                    1
   _Spectral_peak_list.Experiment_name                  '2D 1H-15N HSQC'
   _Spectral_peak_list.Experiment_class                 .
   _Spectral_peak_list.Experiment_type                  .
   _Spectral_peak_list.Number_of_spectral_dimensions    2
   _Spectral_peak_list.Chemical_shift_list              .
   _Spectral_peak_list.Assigned_chem_shift_list_ID      .
   _Spectral_peak_list.Assigned_chem_shift_list_label   .
   _Spectral_peak_list.Details                          .
   _Spectral_peak_list.Text_data_format                 text
   _Spectral_peak_list.Text_data
;
Assignment         w1         w2   Data Height 

            91N-H    122.848      8.025     62509344 
            92N-H    120.134      7.009     64382048 
            93N-H    115.138      8.181     54338440 
            94N-H    121.300      8.300     63974356 
            95N-H    120.506      8.324     67083628 
            96N-H    118.788      8.232     69252448 
            97N-H    118.369      7.168     61736824 
            98N-H    119.383      7.985     52733700 
            99N-H    124.918      9.143     69410968 
           100N-H    118.770      8.043     66746856 
           101N-H    118.533      8.348     73631304 
           102N-H    116.671      8.202     61734132 
           103N-H    123.572      8.450     55558144 
           104N-H    121.115      8.905     76545464 
           105N-H    112.905      7.200     64574928 
           106N-H    119.794      7.509     68575824 
           107N-H    123.122      8.854     71328760 
           108N-H    118.155      7.692     82663864 
           109N-H    121.597      7.576     75267120 
           110N-H    117.493      8.729     62576424 
           111N-H    125.453      9.191     48473204 
           112N-H    120.816      7.698     81149584 
           113N-H    116.430      7.173     67459120 
           114N-H    121.186      7.188     73499488 
           115N-H    114.476      7.505     62083872 
           116N-H    119.165      6.959     55769252 
           118N-H    110.534      5.834     20262932 
           119N-H    113.087      6.816     50555132 
           120N-H    124.667      8.929     39919380 
           121N-H    121.165      9.240     51575788 
           122N-H    114.598      9.151     63828080 
           123N-H    123.140      7.282     73545336 
           124N-H    129.423      8.751     58480908 
           125N-H    125.025      8.176     65208552 
           126N-H    122.338      8.823     59525944 
           127N-H    127.319      8.979     36103000 
           128N-H    115.812      8.086     69492224 
           129N-H    120.191      7.904     75427680 
           130N-H    106.968      8.680     40251396 
           131N-H    119.517      7.634     67827864 
           132N-H    133.737      9.554     44939628 
           133N-H    125.060      9.185     57749784 
           134N-H    128.567      9.113     55849832 
           135N-H    130.918      8.852     49318720 
           136N-H    124.177      8.451     47823448 
           137N-H    103.544      7.511     54353368 
           138N-H    107.929      9.105     61052684 
           140N-H    120.770      8.308     55990576 
           141N-H    105.878      7.988     62822116 
           142N-H    115.100      7.903     52313376 
           143N-H    125.776      9.276     47534304 
           144N-H    119.685      7.864     52115312 
           145N-H    131.627      9.654     43703456 
           146N-H    122.249      9.553     55725456 
           147N-H    121.809      8.395     52363976 
           148N-H    130.102      7.723     45280320 
           149N-H    123.923      8.550     40319360 
           151N-H    111.286      6.968     36674808 
           152N-H    118.114      7.845     58805752 
           153N-H    112.238      7.048     41078076 
           154N-H    124.148      8.517     45811040 
           155N-H    131.548      9.449     40855108 
           156N-H    123.632      8.651     43210180 
           157N-H    121.583      9.203     50489460 
           158N-H    121.340      7.531     50739852 
           160N-H    113.379      7.783     52181616 
           161N-H    114.752      8.178     37815692 
           162N-H    113.444      7.882     53444328 
           164N-H    122.436      9.032     52277144 
           165N-H    120.044      6.293     29177198 
           166N-H    122.166      9.540     52832912 
           167N-H    122.019      8.812     38532704 
           168N-H    122.873      9.275     49838528 
         168NE-HE    128.660     10.118     64757444 
           169N-H    117.486      8.299     52604100 
           171N-H    115.531      6.670     20611934 
           172N-H    116.740      6.547     42043356 
           173N-H    120.008      8.891     39665652 
         173NE-HE    130.316      9.931     52210480 
           174N-H    122.612      9.495     54548936 
           175N-H    131.736      7.885     45195968 
         175NE-HE    127.505     10.405     53424372 
           176N-H    127.566      9.389     58647360 
           177N-H    117.229      5.874     17425152 
           178N-H    113.424      6.686     45381844 
           179N-H    110.472      8.611     53025532 
           180N-H    125.341      8.670     63525312 
           181N-H    128.365      9.200     60181652 
           182N-H    124.247      8.238     52527384 
           183N-H    115.775      7.550     63530268 
           184N-H    123.331      8.215     62489512 
           185N-H    124.765      8.449     78452040 
           186N-H    117.898      8.090     68022808 
           188N-H    122.368      7.905     67333104 
           189N-H    117.599      8.862     64971920 
           190N-H    120.913      9.219     53135312 
           191N-H    118.338      7.869     43097332 
           193N-H    120.718      8.211     78752176 
           194N-H    112.885      8.629     63388300 
           195N-H    116.166      7.410     68280128 
           196N-H    114.321      7.314     85329776 
           197N-H    124.373      7.901     74682528 
           198N-H    131.218      8.049     50178984 
           199N-H    119.868      8.258     56525516 
           200N-H    129.447      8.044     26538134 
           201N-H    115.101      8.285     76417128 
           202N-H    116.553      8.234     21291200 
           203N-H    122.496      6.957     57432436 
           204N-H    122.720      7.921    110413064 
           205N-H    114.034      8.384     57471596 
           206N-H    111.545      7.442     67125184 
           207N-H    112.662      8.875     41243988 
           208N-H    123.370      7.920     10034786 
           209N-H    123.524      8.521     60185244 
           210N-H    129.924      7.687    127776912
;

   loop_
      _Spectral_dim.ID
      _Spectral_dim.Axis_code
      _Spectral_dim.Spectrometer_frequency
      _Spectral_dim.Atom_type
      _Spectral_dim.Atom_isotope_number
      _Spectral_dim.Spectral_region
      _Spectral_dim.Magnetization_linkage_ID
      _Spectral_dim.Under_sampling_type
      _Spectral_dim.Sweep_width
      _Spectral_dim.Sweep_width_units
      _Spectral_dim.Value_first_point
      _Spectral_dim.Absolute_peak_positions
      _Spectral_dim.Acquisition
      _Spectral_dim.Center_frequency_offset
      _Spectral_dim.Encoding_code
      _Spectral_dim.Encoded_reduced_dimension_ID
      _Spectral_dim.Entry_ID
      _Spectral_dim.Spectral_peak_list_ID

      2   .   .   H,N   15   HN   .   .   6   ppm   .   .   .   .   .   .   27171   1
   stop_
save_

save_spectral_peak_list_2
   _Spectral_peak_list.Sf_category                      spectral_peak_list
   _Spectral_peak_list.Sf_framecode                     spectral_peak_list_2
   _Spectral_peak_list.Entry_ID                         27171
   _Spectral_peak_list.ID                               2
   _Spectral_peak_list.Sample_ID                        1
   _Spectral_peak_list.Sample_label                     $sample_1
   _Spectral_peak_list.Sample_condition_list_ID         1
   _Spectral_peak_list.Sample_condition_list_label      $sample_conditions_1
   _Spectral_peak_list.Experiment_ID                    1
   _Spectral_peak_list.Experiment_name                  '2D 1H-15N HSQC'
   _Spectral_peak_list.Experiment_class                 .
   _Spectral_peak_list.Experiment_type                  .
   _Spectral_peak_list.Number_of_spectral_dimensions    2
   _Spectral_peak_list.Chemical_shift_list              .
   _Spectral_peak_list.Assigned_chem_shift_list_ID      .
   _Spectral_peak_list.Assigned_chem_shift_list_label   .
   _Spectral_peak_list.Details                          .
   _Spectral_peak_list.Text_data_format                 text
   _Spectral_peak_list.Text_data
;
Assignment         w1         w2  

            91N-H    122.817      8.029 
            92N-H    120.124      7.013 
            93N-H    115.183      8.191 
            94N-H    121.340      8.312 
            95N-H    120.670      8.319 
            96N-H    118.801      8.243 
            97N-H    118.316      7.176 
            98N-H    119.329      8.010 
            99N-H    124.939      9.166 
           100N-H    118.656      8.047 
           101N-H    118.615      8.369 
           102N-H    116.577      8.226 
           103N-H    123.494      8.445 
           104N-H    121.065      8.880 
           105N-H    112.760      7.230 
           106N-H    119.733      7.510 
           107N-H    123.104      8.859 
           108N-H    118.157      7.736 
           109N-H    121.382      7.568 
           110N-H    117.564      8.748 
           111N-H    125.405      9.232 
           112N-H    120.949      7.748 
           113N-H    116.781      7.211 
           114N-H    121.171      7.197 
           115N-H    114.374      7.465 
           119N-H    112.814      6.814 
           120N-H    124.591      8.932 
           121N-H    120.986      9.230 
           122N-H    114.537      9.163 
           123N-H    123.159      7.287 
           124N-H    129.455      8.775 
           125N-H    124.808      8.157 
           126N-H    122.417      8.840 
           127N-H    127.124      8.964 
           128N-H    115.889      8.097 
           129N-H    120.195      7.910 
           130N-H    106.981      8.689 
           131N-H    119.472      7.645 
           132N-H    133.755      9.549 
           133N-H    124.939      9.188 
           134N-H    128.481      9.110 
           135N-H    130.906      8.842 
           136N-H    124.151      8.460 
           137N-H    103.559      7.526 
           138N-H    107.926      9.100 
           140N-H    120.670      8.319 
           141N-H    105.886      7.997 
           142N-H    115.106      7.911 
           143N-H    125.727      9.277 
           144N-H    119.707      7.869 
           145N-H    131.590      9.664 
           146N-H    122.324      9.571 
           147N-H    121.786      8.397 
           148N-H    130.026      7.733 
           149N-H    124.036      8.540 
           151N-H    111.317      6.990 
           152N-H    118.235      7.866 
           153N-H    112.251      7.065 
           154N-H    124.036      8.540 
           155N-H    131.592      9.460 
           156N-H    123.684      8.675 
           157N-H    121.567      9.211 
           158N-H    121.358      7.539 
           160N-H    113.383      7.790 
           161N-H    114.660      8.183 
           162N-H    113.421      7.891 
           164N-H    122.427      9.031 
           165N-H    120.032      6.324 
           166N-H    122.324      9.571 
           167N-H    122.106      8.820 
           168N-H    122.838      9.291 
         168NE-HE    128.678     10.127 
           169N-H    117.463      8.301 
           173N-H    119.962      8.906 
         173NE-HE    130.283      9.933 
           174N-H    122.620      9.504 
           175N-H    131.744      7.891 
         175NE-HE    127.538     10.405 
           176N-H    127.550      9.390 
           177N-H    117.235      5.877 
           178N-H    113.461      6.698 
           179N-H    110.476      8.619 
           180N-H    125.355      8.680 
           181N-H    128.370      9.207 
           182N-H    124.251      8.242 
           183N-H    115.733      7.554 
           184N-H    123.324      8.226 
           185N-H    124.801      8.453 
           186N-H    117.871      8.087 
           188N-H    122.440      7.911 
           189N-H    117.589      8.856 
           190N-H    120.986      9.230 
           191N-H    118.235      7.866 
           193N-H    120.728      8.215 
           194N-H    112.904      8.637 
           195N-H    116.187      7.413 
           196N-H    114.317      7.319 
           197N-H    124.386      7.909 
           198N-H    131.169      8.056 
           199N-H    119.855      8.259 
           200N-H    129.435      8.034 
           201N-H    115.142      8.292 
           202N-H    116.577      8.226 
           203N-H    122.515      6.964 
           204N-H    122.661      7.947 
           205N-H    114.057      8.392 
           206N-H    111.582      7.459 
           207N-H    112.701      8.872 
           208N-H    123.360      7.939 
           209N-H    123.417      8.541 
           210N-H    129.924      7.687
;

   loop_
      _Spectral_dim.ID
      _Spectral_dim.Axis_code
      _Spectral_dim.Spectrometer_frequency
      _Spectral_dim.Atom_type
      _Spectral_dim.Atom_isotope_number
      _Spectral_dim.Spectral_region
      _Spectral_dim.Magnetization_linkage_ID
      _Spectral_dim.Under_sampling_type
      _Spectral_dim.Sweep_width
      _Spectral_dim.Sweep_width_units
      _Spectral_dim.Value_first_point
      _Spectral_dim.Absolute_peak_positions
      _Spectral_dim.Acquisition
      _Spectral_dim.Center_frequency_offset
      _Spectral_dim.Encoding_code
      _Spectral_dim.Encoded_reduced_dimension_ID
      _Spectral_dim.Entry_ID
      _Spectral_dim.Spectral_peak_list_ID

      2   .   .   H,N   15   HN   .   .   6   ppm   .   .   .   .   .   .   27171   2
   stop_
save_

save_spectral_peak_list_3
   _Spectral_peak_list.Sf_category                      spectral_peak_list
   _Spectral_peak_list.Sf_framecode                     spectral_peak_list_3
   _Spectral_peak_list.Entry_ID                         27171
   _Spectral_peak_list.ID                               3
   _Spectral_peak_list.Sample_ID                        1
   _Spectral_peak_list.Sample_label                     $sample_1
   _Spectral_peak_list.Sample_condition_list_ID         1
   _Spectral_peak_list.Sample_condition_list_label      $sample_conditions_1
   _Spectral_peak_list.Experiment_ID                    1
   _Spectral_peak_list.Experiment_name                  '2D 1H-15N HSQC'
   _Spectral_peak_list.Experiment_class                 .
   _Spectral_peak_list.Experiment_type                  .
   _Spectral_peak_list.Number_of_spectral_dimensions    2
   _Spectral_peak_list.Chemical_shift_list              .
   _Spectral_peak_list.Assigned_chem_shift_list_ID      .
   _Spectral_peak_list.Assigned_chem_shift_list_label   .
   _Spectral_peak_list.Details                          .
   _Spectral_peak_list.Text_data_format                 text
   _Spectral_peak_list.Text_data
;
Assignment         w1         w2  

           204N-H    122.656      7.949 
           209N-H    123.387      8.538 
           210N-H    129.918      7.680
;

   loop_
      _Spectral_dim.ID
      _Spectral_dim.Axis_code
      _Spectral_dim.Spectrometer_frequency
      _Spectral_dim.Atom_type
      _Spectral_dim.Atom_isotope_number
      _Spectral_dim.Spectral_region
      _Spectral_dim.Magnetization_linkage_ID
      _Spectral_dim.Under_sampling_type
      _Spectral_dim.Sweep_width
      _Spectral_dim.Sweep_width_units
      _Spectral_dim.Value_first_point
      _Spectral_dim.Absolute_peak_positions
      _Spectral_dim.Acquisition
      _Spectral_dim.Center_frequency_offset
      _Spectral_dim.Encoding_code
      _Spectral_dim.Encoded_reduced_dimension_ID
      _Spectral_dim.Entry_ID
      _Spectral_dim.Spectral_peak_list_ID

      2   .   .   H,N   15   HN   .   .   6   ppm   .   .   .   .   .   .   27171   3
   stop_
save_

save_spectral_peak_list_4
   _Spectral_peak_list.Sf_category                      spectral_peak_list
   _Spectral_peak_list.Sf_framecode                     spectral_peak_list_4
   _Spectral_peak_list.Entry_ID                         27171
   _Spectral_peak_list.ID                               4
   _Spectral_peak_list.Sample_ID                        1
   _Spectral_peak_list.Sample_label                     $sample_1
   _Spectral_peak_list.Sample_condition_list_ID         1
   _Spectral_peak_list.Sample_condition_list_label      $sample_conditions_1
   _Spectral_peak_list.Experiment_ID                    1
   _Spectral_peak_list.Experiment_name                  '2D 1H-15N HSQC'
   _Spectral_peak_list.Experiment_class                 .
   _Spectral_peak_list.Experiment_type                  .
   _Spectral_peak_list.Number_of_spectral_dimensions    2
   _Spectral_peak_list.Chemical_shift_list              .
   _Spectral_peak_list.Assigned_chem_shift_list_ID      .
   _Spectral_peak_list.Assigned_chem_shift_list_label   .
   _Spectral_peak_list.Details                          .
   _Spectral_peak_list.Text_data_format                 text
   _Spectral_peak_list.Text_data
;
Assignment         w1         w2  

            91N-H    122.849      8.026 
            92N-H    120.088      7.013 
            93N-H    115.129      8.189 
            94N-H    121.314      8.309 
            95N-H    120.574      8.330 
            96N-H    118.805      8.241 
            97N-H    118.367      7.178 
            98N-H    119.397      7.998 
            99N-H    124.962      9.157 
           100N-H    118.714      8.046 
           101N-H    118.558      8.350 
           102N-H    116.695      8.209 
           103N-H    123.543      8.453 
           104N-H    121.083      8.896 
           105N-H    112.855      7.212 
           106N-H    119.773      7.512 
           107N-H    123.099      8.860 
           108N-H    118.146      7.710 
           109N-H    121.533      7.575 
           110N-H    117.521      8.742 
           111N-H    125.351      9.205 
           112N-H    120.868      7.720 
           113N-H    116.578      7.191 
           114N-H    121.213      7.201 
           115N-H    114.432      7.492 
           116N-H    119.139      6.963 
           118N-H    110.462      5.839 
           119N-H    112.801      6.816 
           120N-H    124.561      8.930 
           122N-H    114.549      9.158 
           123N-H    123.140      7.290 
           124N-H    129.432      8.771 
           125N-H    124.973      8.175 
           126N-H    122.326      8.834 
           128N-H    115.852      8.092 
           129N-H    120.181      7.908 
           130N-H    106.956      8.681 
           131N-H    119.492      7.638 
           132N-H    133.795      9.562 
           133N-H    125.001      9.186 
           134N-H    128.507      9.118 
           135N-H    130.899      8.851 
           136N-H    124.162      8.459 
           137N-H    103.563      7.525 
           138N-H    107.897      9.108 
           140N-H    120.659      8.307 
           141N-H    105.888      7.996 
           142N-H    115.086      7.907 
           143N-H    125.811      9.275 
           144N-H    119.688      7.872 
           160N-H    113.389      7.788 
           161N-H    114.751      8.182 
           162N-H    113.433      7.889 
           166N-H    122.214      9.551 
           167N-H    122.163      8.819 
         168NE-HE    128.682     10.126 
           169N-H    117.443      8.302 
           171N-H    115.473      6.691 
           172N-H    116.775      6.557 
           173N-H    120.016      8.892 
         173NE-HE    130.263      9.930 
           174N-H    122.573      9.500 
           175N-H    131.763      7.892 
         175NE-HE    127.519     10.410 
           176N-H    127.567      9.389 
           177N-H    117.336      5.880 
           178N-H    113.384      6.698 
           179N-H    110.479      8.617 
           180N-H    125.386      8.686 
           181N-H    128.342      9.205 
           182N-H    124.179      8.241 
           183N-H    115.773      7.552 
           184N-H    123.324      8.222 
           185N-H    124.747      8.452 
           186N-H    117.895      8.092 
           188N-H    122.427      7.911 
           189N-H    117.561      8.860 
           190N-H    120.936      9.223 
           191N-H    118.226      7.865 
           193N-H    120.699      8.214 
           194N-H    112.856      8.632 
           195N-H    116.218      7.418 
           196N-H    114.305      7.317 
           197N-H    124.383      7.914 
           198N-H    131.134      8.053 
           199N-H    119.864      8.262 
           200N-H    129.450      8.055 
           201N-H    115.156      8.296 
           202N-H    116.695      8.209 
           203N-H    122.510      6.967 
           204N-H    122.671      7.944 
           205N-H    114.050      8.387 
           206N-H    111.536      7.450 
           207N-H    112.650      8.875 
           208N-H    123.423      7.913 
           209N-H    123.415      8.537 
           210N-H    129.924      7.687
;

   loop_
      _Spectral_dim.ID
      _Spectral_dim.Axis_code
      _Spectral_dim.Spectrometer_frequency
      _Spectral_dim.Atom_type
      _Spectral_dim.Atom_isotope_number
      _Spectral_dim.Spectral_region
      _Spectral_dim.Magnetization_linkage_ID
      _Spectral_dim.Under_sampling_type
      _Spectral_dim.Sweep_width
      _Spectral_dim.Sweep_width_units
      _Spectral_dim.Value_first_point
      _Spectral_dim.Absolute_peak_positions
      _Spectral_dim.Acquisition
      _Spectral_dim.Center_frequency_offset
      _Spectral_dim.Encoding_code
      _Spectral_dim.Encoded_reduced_dimension_ID
      _Spectral_dim.Entry_ID
      _Spectral_dim.Spectral_peak_list_ID

      2   .   .   H,N   15   HN   .   .   6   ppm   .   .   .   .   .   .   27171   4
   stop_
save_

save_spectral_peak_list_5
   _Spectral_peak_list.Sf_category                      spectral_peak_list
   _Spectral_peak_list.Sf_framecode                     spectral_peak_list_5
   _Spectral_peak_list.Entry_ID                         27171
   _Spectral_peak_list.ID                               5
   _Spectral_peak_list.Sample_ID                        1
   _Spectral_peak_list.Sample_label                     $sample_1
   _Spectral_peak_list.Sample_condition_list_ID         1
   _Spectral_peak_list.Sample_condition_list_label      $sample_conditions_1
   _Spectral_peak_list.Experiment_ID                    1
   _Spectral_peak_list.Experiment_name                  '2D 1H-15N HSQC'
   _Spectral_peak_list.Experiment_class                 .
   _Spectral_peak_list.Experiment_type                  .
   _Spectral_peak_list.Number_of_spectral_dimensions    2
   _Spectral_peak_list.Chemical_shift_list              .
   _Spectral_peak_list.Assigned_chem_shift_list_ID      .
   _Spectral_peak_list.Assigned_chem_shift_list_label   .
   _Spectral_peak_list.Details                          .
   _Spectral_peak_list.Text_data_format                 text
   _Spectral_peak_list.Text_data
;
Assignment         w1         w2  

            91N-H    122.847      8.018 
            92N-H    120.122      7.008 
            93N-H    115.184      8.181 
            94N-H    121.321      8.301 
            95N-H    120.573      8.323 
            96N-H    118.801      8.232 
            97N-H    118.382      7.170 
            98N-H    119.398      7.988 
            99N-H    124.935      9.146 
           100N-H    118.755      8.036 
           101N-H    118.552      8.333 
           103N-H    123.541      8.452 
           104N-H    121.160      8.911 
           105N-H    112.961      7.213 
           106N-H    119.800      7.510 
           107N-H    123.143      8.866 
           108N-H    118.252      7.708 
           109N-H    121.697      7.581 
           110N-H    117.526      8.747 
           111N-H    125.447      9.212 
           114N-H    121.319      7.222 
           116N-H    119.195      6.953 
           119N-H    112.830      6.806 
           120N-H    124.617      8.925 
           122N-H    114.783      9.160 
           123N-H    123.161      7.284 
           124N-H    129.578      8.777 
           128N-H    115.865      8.095 
           129N-H    120.182      7.906 
           130N-H    106.977      8.687 
           131N-H    119.502      7.639 
           132N-H    133.756      9.562 
           133N-H    125.030      9.191 
           134N-H    128.549      9.116 
           135N-H    130.886      8.848 
           136N-H    124.165      8.452 
           137N-H    103.575      7.518 
           138N-H    107.918      9.104 
           140N-H    120.573      8.323 
           141N-H    105.907      7.994 
           142N-H    115.106      7.905 
           143N-H    125.764      9.274 
           144N-H    119.711      7.869 
           145N-H    131.593      9.657 
           146N-H    122.297      9.564 
           147N-H    121.795      8.396 
           148N-H    130.079      7.725 
           149N-H    123.908      8.549 
           151N-H    111.285      6.975 
           152N-H    118.237      7.863 
           153N-H    112.248      7.054 
           154N-H    124.132      8.521 
           155N-H    131.551      9.453 
           156N-H    123.663      8.659 
           157N-H    121.552      9.202 
           158N-H    121.333      7.533 
           160N-H    113.394      7.787 
           161N-H    114.714      8.180 
           162N-H    113.439      7.885 
           164N-H    122.426      9.029 
           165N-H    120.046      6.311 
           166N-H    122.139      9.538 
           167N-H    122.030      8.816 
           168N-H    122.882      9.281 
         168NE-HE    128.678     10.118 
           169N-H    117.456      8.296 
           171N-H    115.510      6.670 
           172N-H    116.752      6.548 
           173N-H    119.997      8.887 
         173NE-HE    130.293      9.927 
           174N-H    122.601      9.497 
           175N-H    131.727      7.888 
         175NE-HE    127.519     10.404 
           176N-H    127.556      9.388 
           177N-H    117.248      5.875 
           178N-H    113.455      6.689 
           179N-H    110.478      8.612 
           180N-H    125.363      8.673 
           181N-H    128.352      9.201 
           182N-H    124.238      8.240 
           183N-H    115.765      7.550 
           184N-H    123.336      8.217 
           185N-H    124.762      8.448 
           186N-H    117.893      8.091 
           188N-H    122.393      7.908 
           189N-H    117.579      8.861 
           190N-H    120.975      9.222 
           191N-H    118.237      7.863 
           193N-H    120.709      8.211 
           194N-H    112.876      8.631 
           195N-H    116.193      7.413 
           196N-H    114.316      7.314 
           197N-H    124.373      7.902 
           198N-H    131.169      8.047 
           199N-H    119.847      8.254 
           200N-H    129.462      8.052 
           201N-H    115.126      8.287 
           202N-H    116.692      8.205 
           203N-H    122.562      6.964 
           204N-H    122.699      7.920 
           205N-H    114.046      8.384 
           206N-H    111.550      7.447 
           207N-H    112.680      8.871 
           208N-H    123.381      7.914 
           209N-H    123.458      8.529 
           210N-H    130.013      7.684
;

   loop_
      _Spectral_dim.ID
      _Spectral_dim.Axis_code
      _Spectral_dim.Spectrometer_frequency
      _Spectral_dim.Atom_type
      _Spectral_dim.Atom_isotope_number
      _Spectral_dim.Spectral_region
      _Spectral_dim.Magnetization_linkage_ID
      _Spectral_dim.Under_sampling_type
      _Spectral_dim.Sweep_width
      _Spectral_dim.Sweep_width_units
      _Spectral_dim.Value_first_point
      _Spectral_dim.Absolute_peak_positions
      _Spectral_dim.Acquisition
      _Spectral_dim.Center_frequency_offset
      _Spectral_dim.Encoding_code
      _Spectral_dim.Encoded_reduced_dimension_ID
      _Spectral_dim.Entry_ID
      _Spectral_dim.Spectral_peak_list_ID

      2   .   .   H,N   15   HN   .   .   6   ppm   .   .   .   .   .   .   27171   5
   stop_
save_

save_spectral_peak_list_6
   _Spectral_peak_list.Sf_category                      spectral_peak_list
   _Spectral_peak_list.Sf_framecode                     spectral_peak_list_6
   _Spectral_peak_list.Entry_ID                         27171
   _Spectral_peak_list.ID                               6
   _Spectral_peak_list.Sample_ID                        1
   _Spectral_peak_list.Sample_label                     $sample_1
   _Spectral_peak_list.Sample_condition_list_ID         1
   _Spectral_peak_list.Sample_condition_list_label      $sample_conditions_1
   _Spectral_peak_list.Experiment_ID                    1
   _Spectral_peak_list.Experiment_name                  '2D 1H-15N HSQC'
   _Spectral_peak_list.Experiment_class                 .
   _Spectral_peak_list.Experiment_type                  .
   _Spectral_peak_list.Number_of_spectral_dimensions    2
   _Spectral_peak_list.Chemical_shift_list              .
   _Spectral_peak_list.Assigned_chem_shift_list_ID      .
   _Spectral_peak_list.Assigned_chem_shift_list_label   .
   _Spectral_peak_list.Details                          .
   _Spectral_peak_list.Text_data_format                 text
   _Spectral_peak_list.Text_data
;
Assignment         w1         w2  

            91N-H    122.849      8.026 
            92N-H    120.125      7.010 
            93N-H    115.177      8.185 
            94N-H    121.323      8.305 
            95N-H    120.588      8.325 
            96N-H    118.799      8.238 
            97N-H    118.383      7.175 
            98N-H    119.403      7.992 
            99N-H    124.936      9.149 
           100N-H    118.760      8.047 
           101N-H    118.543      8.347 
           102N-H    116.685      8.207 
           103N-H    123.558      8.454 
           104N-H    121.110      8.902 
           105N-H    112.888      7.206 
           106N-H    119.802      7.511 
           107N-H    123.120      8.858 
           108N-H    118.162      7.699 
           109N-H    121.574      7.577 
           110N-H    117.497      8.738 
           111N-H    125.270      9.193 
           112N-H    120.857      7.707 
           113N-H    116.477      7.181 
           114N-H    121.258      7.197 
           115N-H    114.471      7.500 
           116N-H    119.141      6.959 
           118N-H    110.495      5.836 
           119N-H    112.849      6.813 
           120N-H    124.628      8.929 
           121N-H    120.966      9.224 
           122N-H    114.578      9.153 
           123N-H    123.156      7.288 
           124N-H    129.464      8.762 
           125N-H    125.011      8.178 
           126N-H    122.254      8.825 
           127N-H    127.298      8.977 
           128N-H    115.838      8.090 
           129N-H    120.187      7.908 
           130N-H    106.978      8.680 
           131N-H    119.503      7.636 
           132N-H    133.746      9.560 
           133N-H    125.270      9.193 
           134N-H    128.556      9.116 
           135N-H    130.890      8.850 
           136N-H    124.171      8.455 
           137N-H    103.574      7.520 
           138N-H    107.919      9.108 
           140N-H    120.588      8.325 
           141N-H    105.904      7.995 
           142N-H    115.111      7.907 
           143N-H    125.769      9.276 
           144N-H    119.703      7.870 
           145N-H    131.595      9.656 
           146N-H    122.274      9.562 
           147N-H    121.799      8.396 
           148N-H    130.089      7.727 
           149N-H    123.929      8.550 
           151N-H    111.285      6.975 
           152N-H    118.230      7.864 
           153N-H    112.248      7.055 
           154N-H    124.136      8.522 
           155N-H    131.551      9.453 
           156N-H    123.661      8.658 
           157N-H    121.563      9.205 
           158N-H    121.336      7.534 
           160N-H    113.400      7.789 
           161N-H    114.723      8.182 
           162N-H    113.439      7.886 
           164N-H    122.430      9.032 
           165N-H    120.046      6.309 
           166N-H    122.166      9.541 
           167N-H    122.254      8.825 
           168N-H    122.880      9.283 
         168NE-HE    128.677     10.122 
           169N-H    117.463      8.298 
           171N-H    115.519      6.674 
           172N-H    116.751      6.550 
           173N-H    120.002      8.890 
         173NE-HE    130.302      9.932 
           174N-H    122.609      9.500 
           175N-H    131.734      7.890 
         175NE-HE    127.517     10.406 
           176N-H    127.558      9.390 
           177N-H    117.236      5.876 
           178N-H    113.431      6.690 
           179N-H    110.480      8.615 
           180N-H    125.360      8.676 
           181N-H    128.360      9.203 
           182N-H    124.243      8.241 
           183N-H    115.766      7.552 
           184N-H    123.339      8.220 
           185N-H    124.765      8.450 
           186N-H    117.894      8.092 
           188N-H    122.379      7.909 
           189N-H    117.586      8.863 
           190N-H    120.966      9.224 
           191N-H    118.230      7.864 
           193N-H    120.712      8.214 
           194N-H    112.877      8.632 
           195N-H    116.197      7.415 
           196N-H    114.321      7.316 
           197N-H    124.375      7.904 
           198N-H    131.178      8.050 
           199N-H    119.851      8.257 
           200N-H    129.466      8.052 
           201N-H    115.121      8.289 
           202N-H    116.685      8.207 
           203N-H    122.518      6.962 
           204N-H    122.672      7.937 
           205N-H    114.043      8.386 
           206N-H    111.548      7.448 
           207N-H    112.677      8.874 
           208N-H    123.388      7.919 
           209N-H    123.465      8.530 
           210N-H    129.930      7.685
;

   loop_
      _Spectral_dim.ID
      _Spectral_dim.Axis_code
      _Spectral_dim.Spectrometer_frequency
      _Spectral_dim.Atom_type
      _Spectral_dim.Atom_isotope_number
      _Spectral_dim.Spectral_region
      _Spectral_dim.Magnetization_linkage_ID
      _Spectral_dim.Under_sampling_type
      _Spectral_dim.Sweep_width
      _Spectral_dim.Sweep_width_units
      _Spectral_dim.Value_first_point
      _Spectral_dim.Absolute_peak_positions
      _Spectral_dim.Acquisition
      _Spectral_dim.Center_frequency_offset
      _Spectral_dim.Encoding_code
      _Spectral_dim.Encoded_reduced_dimension_ID
      _Spectral_dim.Entry_ID
      _Spectral_dim.Spectral_peak_list_ID

      2   .   .   H,N   15   HN   .   .   6   ppm   .   .   .   .   .   .   27171   6
   stop_
save_

save_spectral_peak_list_7
   _Spectral_peak_list.Sf_category                      spectral_peak_list
   _Spectral_peak_list.Sf_framecode                     spectral_peak_list_7
   _Spectral_peak_list.Entry_ID                         27171
   _Spectral_peak_list.ID                               7
   _Spectral_peak_list.Sample_ID                        1
   _Spectral_peak_list.Sample_label                     $sample_1
   _Spectral_peak_list.Sample_condition_list_ID         1
   _Spectral_peak_list.Sample_condition_list_label      $sample_conditions_1
   _Spectral_peak_list.Experiment_ID                    1
   _Spectral_peak_list.Experiment_name                  '2D 1H-15N HSQC'
   _Spectral_peak_list.Experiment_class                 .
   _Spectral_peak_list.Experiment_type                  .
   _Spectral_peak_list.Number_of_spectral_dimensions    2
   _Spectral_peak_list.Chemical_shift_list              .
   _Spectral_peak_list.Assigned_chem_shift_list_ID      .
   _Spectral_peak_list.Assigned_chem_shift_list_label   .
   _Spectral_peak_list.Details                          .
   _Spectral_peak_list.Text_data_format                 text
   _Spectral_peak_list.Text_data
;
Assignment         w1         w2  

            91N-H    122.849      8.026 
            92N-H    120.136      7.009 
            93N-H    115.138      8.181 
            94N-H    121.291      8.299 
            95N-H    120.519      8.319 
            96N-H    118.785      8.231 
            97N-H    118.369      7.167 
            98N-H    119.378      7.984 
            99N-H    124.907      9.142 
           100N-H    118.770      8.042 
           101N-H    118.529      8.349 
           102N-H    116.669      8.201 
           103N-H    123.576      8.450 
           104N-H    121.108      8.909 
           105N-H    112.910      7.199 
           106N-H    119.797      7.509 
           107N-H    123.121      8.854 
           108N-H    118.151      7.691 
           109N-H    121.600      7.576 
           110N-H    117.491      8.728 
           111N-H    125.248      9.188 
           112N-H    120.811      7.696 
           113N-H    116.418      7.172 
           114N-H    121.173      7.187 
           115N-H    114.478      7.507 
           116N-H    119.171      6.959 
           118N-H    110.542      5.835 
           119N-H    113.134      6.817 
           120N-H    124.676      8.929 
           121N-H    121.204      9.246 
           122N-H    114.604      9.152 
           123N-H    123.137      7.281 
           124N-H    129.414      8.749 
           125N-H    125.025      8.176 
           126N-H    122.397      8.825 
           127N-H    127.324      8.980 
           128N-H    115.808      8.085 
           129N-H    120.196      7.904 
           130N-H    106.959      8.679 
           131N-H    119.519      7.634 
           132N-H    133.739      9.555 
           133N-H    124.993      9.189 
           134N-H    128.574      9.113 
           135N-H    130.925      8.853 
           136N-H    124.186      8.452 
           137N-H    103.537      7.510 
           138N-H    107.927      9.105 
           140N-H    120.738      8.310 
           141N-H    105.875      7.987 
           142N-H    115.094      7.903 
           143N-H    125.782      9.277 
           144N-H    119.689      7.864 
           145N-H    131.633      9.656 
           146N-H    122.311      9.564 
           147N-H    121.808      8.394 
           148N-H    130.091      7.723 
           149N-H    123.936      8.551 
           151N-H    111.278      6.969 
           152N-H    118.218      7.860 
           153N-H    112.241      7.048 
           154N-H    124.157      8.517 
           155N-H    131.548      9.448 
           156N-H    123.622      8.650 
           157N-H    121.588      9.204 
           158N-H    121.332      7.530 
           160N-H    113.379      7.783 
           161N-H    114.763      8.183 
           162N-H    113.448      7.882 
           164N-H    122.438      9.033 
           165N-H    120.047      6.290 
           166N-H    122.194      9.533 
           167N-H    122.116      8.815 
           168N-H    122.866      9.272 
         168NE-HE    128.658     10.117 
           169N-H    117.500      8.301 
           171N-H    115.539      6.672 
           172N-H    116.737      6.546 
           173N-H    120.015      8.891 
         173NE-HE    130.324      9.931 
           174N-H    122.612      9.495 
           175N-H    131.734      7.885 
         175NE-HE    127.500     10.404 
           176N-H    127.565      9.389 
           177N-H    117.217      5.875 
           178N-H    113.426      6.687 
           179N-H    110.471      8.610 
           180N-H    125.336      8.669 
           181N-H    128.368      9.201 
           182N-H    124.256      8.237 
           183N-H    115.772      7.550 
           184N-H    123.333      8.215 
           185N-H    124.767      8.448 
           186N-H    117.904      8.089 
           188N-H    122.363      7.904 
           189N-H    117.605      8.862 
           190N-H    120.986      9.226 
           191N-H    118.218      7.860 
           193N-H    120.723      8.211 
           194N-H    112.889      8.629 
           195N-H    116.160      7.410 
           196N-H    114.326      7.314 
           197N-H    124.372      7.900 
           198N-H    131.225      8.049 
           199N-H    119.872      8.259 
           200N-H    129.435      8.043 
           201N-H    115.098      8.285 
           202N-H    116.534      8.235 
           203N-H    122.493      6.957 
           204N-H    122.718      7.920 
           205N-H    114.035      8.384 
           206N-H    111.545      7.441 
           207N-H    112.662      8.876 
           208N-H    123.368      7.920 
           209N-H    123.532      8.520 
           210N-H    129.924      7.687
;

   loop_
      _Spectral_dim.ID
      _Spectral_dim.Axis_code
      _Spectral_dim.Spectrometer_frequency
      _Spectral_dim.Atom_type
      _Spectral_dim.Atom_isotope_number
      _Spectral_dim.Spectral_region
      _Spectral_dim.Magnetization_linkage_ID
      _Spectral_dim.Under_sampling_type
      _Spectral_dim.Sweep_width
      _Spectral_dim.Sweep_width_units
      _Spectral_dim.Value_first_point
      _Spectral_dim.Absolute_peak_positions
      _Spectral_dim.Acquisition
      _Spectral_dim.Center_frequency_offset
      _Spectral_dim.Encoding_code
      _Spectral_dim.Encoded_reduced_dimension_ID
      _Spectral_dim.Entry_ID
      _Spectral_dim.Spectral_peak_list_ID

      2   .   .   H,N   15   HN   .   .   6   ppm   .   .   .   .   .   .   27171   7
   stop_
save_

save_spectral_peak_list_8
   _Spectral_peak_list.Sf_category                      spectral_peak_list
   _Spectral_peak_list.Sf_framecode                     spectral_peak_list_8
   _Spectral_peak_list.Entry_ID                         27171
   _Spectral_peak_list.ID                               8
   _Spectral_peak_list.Sample_ID                        1
   _Spectral_peak_list.Sample_label                     $sample_1
   _Spectral_peak_list.Sample_condition_list_ID         1
   _Spectral_peak_list.Sample_condition_list_label      $sample_conditions_1
   _Spectral_peak_list.Experiment_ID                    1
   _Spectral_peak_list.Experiment_name                  '2D 1H-15N HSQC'
   _Spectral_peak_list.Experiment_class                 .
   _Spectral_peak_list.Experiment_type                  .
   _Spectral_peak_list.Number_of_spectral_dimensions    2
   _Spectral_peak_list.Chemical_shift_list              .
   _Spectral_peak_list.Assigned_chem_shift_list_ID      .
   _Spectral_peak_list.Assigned_chem_shift_list_label   .
   _Spectral_peak_list.Details                          .
   _Spectral_peak_list.Text_data_format                 text
   _Spectral_peak_list.Text_data
;
Assignment         w1         w2  

            91N-H    122.827      8.024 
            92N-H    120.094      7.012 
            93N-H    115.164      8.187 
            94N-H    121.303      8.308 
            95N-H    120.531      8.332 
            96N-H    118.775      8.240 
            97N-H    118.357      7.178 
            98N-H    119.388      7.996 
            99N-H    124.917      9.153 
           100N-H    118.729      8.048 
           101N-H    118.528      8.346 
           102N-H    116.665      8.211 
           103N-H    123.523      8.456 
           104N-H    121.167      8.904 
           105N-H    112.865      7.213 
           106N-H    119.776      7.514 
           107N-H    123.088      8.864 
           108N-H    118.153      7.706 
           109N-H    121.574      7.580 
           110N-H    117.477      8.745 
           111N-H    125.311      9.201 
           112N-H    120.868      7.723 
           113N-H    116.606      7.197 
           114N-H    121.266      7.207 
           115N-H    114.582      7.511 
           116N-H    119.126      6.960 
           119N-H    112.749      6.813 
           120N-H    124.587      8.930 
           122N-H    114.591      9.158 
           123N-H    123.132      7.291 
           124N-H    129.470      8.771 
           128N-H    115.825      8.095 
           129N-H    120.154      7.910 
           130N-H    106.955      8.685 
           131N-H    119.472      7.639 
           132N-H    133.725      9.563 
           133N-H    125.063      9.192 
           134N-H    128.527      9.119 
           135N-H    130.854      8.851 
           136N-H    124.141      8.457 
           137N-H    103.558      7.524 
           138N-H    107.889      9.110 
           140N-H    120.675      8.318 
           141N-H    105.889      7.998 
           142N-H    115.083      7.909 
           143N-H    125.741      9.277 
           144N-H    119.684      7.873 
           145N-H    131.560      9.659 
           146N-H    122.267      9.567 
           147N-H    121.772      8.398 
           148N-H    130.057      7.729 
           149N-H    123.904      8.552 
           151N-H    111.262      6.977 
           152N-H    118.070      7.856 
           153N-H    112.218      7.057 
           154N-H    124.103      8.525 
           155N-H    131.524      9.456 
           156N-H    123.640      8.662 
           157N-H    121.530      9.207 
           158N-H    121.310      7.538 
           160N-H    113.372      7.791 
           161N-H    114.695      8.184 
           162N-H    113.414      7.888 
           164N-H    122.401      9.033 
           165N-H    120.020      6.315 
           166N-H    122.122      9.542 
           167N-H    122.010      8.820 
           168N-H    122.861      9.289 
         168NE-HE    128.658     10.125 
           169N-H    117.419      8.299 
           171N-H    115.489      6.677 
           172N-H    116.729      6.553 
           173N-H    119.984      8.890 
         173NE-HE    130.268      9.933 
           174N-H    122.583      9.503 
           175N-H    131.706      7.893 
         175NE-HE    127.498     10.408 
           176N-H    127.524      9.392 
           177N-H    117.227      5.876 
           178N-H    113.409      6.692 
           179N-H    110.461      8.618 
           180N-H    125.340      8.680 
           181N-H    128.330      9.205 
           182N-H    124.213      8.244 
           183N-H    115.737      7.555 
           184N-H    123.314      8.222 
           185N-H    124.736      8.453 
           186N-H    117.863      8.095 
           188N-H    122.356      7.912 
           189N-H    117.548      8.865 
           190N-H    120.931      9.225 
           191N-H    118.228      7.868 
           193N-H    120.681      8.216 
           194N-H    112.851      8.635 
           195N-H    116.178      7.418 
           196N-H    114.293      7.318 
           197N-H    124.351      7.908 
           198N-H    131.140      8.051 
           199N-H    119.822      8.258 
           200N-H    129.441      8.057 
           201N-H    115.102      8.293 
           202N-H    116.665      8.211 
           203N-H    122.509      6.966 
           204N-H    122.661      7.921 
           205N-H    114.021      8.388 
           206N-H    111.521      7.451 
           207N-H    112.653      8.875 
           208N-H    123.342      7.925 
           209N-H    123.423      8.535 
           210N-H    129.924      7.687
;

   loop_
      _Spectral_dim.ID
      _Spectral_dim.Axis_code
      _Spectral_dim.Spectrometer_frequency
      _Spectral_dim.Atom_type
      _Spectral_dim.Atom_isotope_number
      _Spectral_dim.Spectral_region
      _Spectral_dim.Magnetization_linkage_ID
      _Spectral_dim.Under_sampling_type
      _Spectral_dim.Sweep_width
      _Spectral_dim.Sweep_width_units
      _Spectral_dim.Value_first_point
      _Spectral_dim.Absolute_peak_positions
      _Spectral_dim.Acquisition
      _Spectral_dim.Center_frequency_offset
      _Spectral_dim.Encoding_code
      _Spectral_dim.Encoded_reduced_dimension_ID
      _Spectral_dim.Entry_ID
      _Spectral_dim.Spectral_peak_list_ID

      2   .   .   H,N   15   HN   .   .   6   ppm   .   .   .   .   .   .   27171   8
   stop_
save_

save_spectral_peak_list_9
   _Spectral_peak_list.Sf_category                      spectral_peak_list
   _Spectral_peak_list.Sf_framecode                     spectral_peak_list_9
   _Spectral_peak_list.Entry_ID                         27171
   _Spectral_peak_list.ID                               9
   _Spectral_peak_list.Sample_ID                        1
   _Spectral_peak_list.Sample_label                     $sample_1
   _Spectral_peak_list.Sample_condition_list_ID         1
   _Spectral_peak_list.Sample_condition_list_label      $sample_conditions_1
   _Spectral_peak_list.Experiment_ID                    1
   _Spectral_peak_list.Experiment_name                  '2D 1H-15N HSQC'
   _Spectral_peak_list.Experiment_class                 .
   _Spectral_peak_list.Experiment_type                  .
   _Spectral_peak_list.Number_of_spectral_dimensions    2
   _Spectral_peak_list.Chemical_shift_list              .
   _Spectral_peak_list.Assigned_chem_shift_list_ID      .
   _Spectral_peak_list.Assigned_chem_shift_list_label   .
   _Spectral_peak_list.Details                          .
   _Spectral_peak_list.Text_data_format                 text
   _Spectral_peak_list.Text_data
;
Assignment         w1         w2    lw1 (hz)   lw2 (hz) 

            91N-H    122.816      8.024                       
            92N-H    120.093      7.012                       
            93N-H    115.173      8.190                       
            94N-H    121.320      8.310                       
            95N-H    120.668      8.318                       
            96N-H    118.769      8.241                       
            97N-H    118.350      7.179                       
            98N-H    119.379      7.997                       
            99N-H    124.933      9.157                       
           100N-H    118.708      8.047                       
           101N-H    118.544      8.351                       
           102N-H    116.665      8.211                       
           103N-H    123.499      8.454                       
           104N-H    121.151      8.898                       
           105N-H    112.835      7.216                       
           106N-H    119.763      7.513                       
           107N-H    123.072      8.863                       
           108N-H    118.148      7.714                       
           109N-H    121.517      7.577                       
           110N-H    117.501      8.746                       
           111N-H    125.357      9.210                       
           112N-H    120.888      7.735                       
           113N-H    116.688      7.201                       
           114N-H    121.246      7.207                       
           115N-H    114.535      7.503                       
           116N-H    119.131      6.965                       
           119N-H    112.734      6.814                       
           120N-H    124.579      8.931                       
           122N-H    114.575      9.159                       
           123N-H    123.134      7.292                       
           124N-H    129.476      8.774                       
           128N-H    115.831      8.096                       
           129N-H    120.159      7.910                       
           130N-H    106.963      8.687                       
           131N-H    119.462      7.641                       
           132N-H    133.727      9.565                       
           133N-H    125.001      9.190                       
           134N-H    128.514      9.118                       
           135N-H    130.858      8.850                       
           136N-H    124.144      8.458                       
           137N-H    103.556      7.524                       
           138N-H    107.882      9.109                       
           140N-H    120.668      8.318                       
           141N-H    105.897      7.999                       
           142N-H    115.090      7.909                       
           143N-H    125.709      9.275                       
           144N-H    119.672      7.872                       
           149N-H    124.083      8.529                       
           155N-H    131.525      9.456                       
           157N-H    121.526      9.206                       
           158N-H    121.332      7.540                       
           160N-H    113.375      7.793                       
           161N-H    114.682      8.184                       
           162N-H    113.416      7.890                       
           164N-H    122.406      9.032                       
           165N-H    120.003      6.317                       
           166N-H    122.137      9.549                       
           167N-H    122.010      8.821                       
           168N-H    122.854      9.289                       
         168NE-HE    128.658     10.125                       
           169N-H    117.421      8.299                       
           171N-H    115.498      6.667                       
           172N-H    116.753      6.556                       
           173N-H    119.983      8.890                       
         173NE-HE    130.270      9.934                       
           174N-H    122.565      9.502                       
           175N-H    131.693      7.891                       
         175NE-HE    127.502     10.407                       
           176N-H    127.533      9.393                       
           177N-H    117.208      5.875                       
           178N-H    113.400      6.692                       
           179N-H    110.453      8.618                       
           180N-H    125.348      8.682                       
           181N-H    128.317      9.206                       
           182N-H    124.205      8.245                       
           183N-H    115.729      7.557                       
           184N-H    123.303      8.221                       
           185N-H    124.746      8.452                       
           186N-H    117.854      8.097                       
           188N-H    122.374      7.912                       
           189N-H    117.556      8.865                       
           190N-H    120.933      9.225                       
           191N-H    118.204      7.863                       
           193N-H    120.680      8.215                       
           194N-H    112.843      8.636                       
           195N-H    116.178      7.418                       
           196N-H    114.294      7.319                       
           197N-H    124.356      7.909                       
           198N-H    131.138      8.052                       
           199N-H    119.829      8.259                       
           200N-H    129.423      8.054                       
           201N-H    115.112      8.292                       
           202N-H    116.665      8.211                       
           203N-H    122.513      6.966                       
           204N-H    122.626      7.948                       
           205N-H    114.017      8.389                       
           206N-H    111.512      7.453                       
           207N-H    112.662      8.874                       
           208N-H    123.292      7.933                       
           209N-H    123.419      8.536                       
           210N-H    129.924      7.687
;

   loop_
      _Spectral_dim.ID
      _Spectral_dim.Axis_code
      _Spectral_dim.Spectrometer_frequency
      _Spectral_dim.Atom_type
      _Spectral_dim.Atom_isotope_number
      _Spectral_dim.Spectral_region
      _Spectral_dim.Magnetization_linkage_ID
      _Spectral_dim.Under_sampling_type
      _Spectral_dim.Sweep_width
      _Spectral_dim.Sweep_width_units
      _Spectral_dim.Value_first_point
      _Spectral_dim.Absolute_peak_positions
      _Spectral_dim.Acquisition
      _Spectral_dim.Center_frequency_offset
      _Spectral_dim.Encoding_code
      _Spectral_dim.Encoded_reduced_dimension_ID
      _Spectral_dim.Entry_ID
      _Spectral_dim.Spectral_peak_list_ID

      2   .   .   H,N   15   HN   .   .   6   ppm   .   .   .   .   .   .   27171   9
   stop_
save_

save_spectral_peak_list_10
   _Spectral_peak_list.Sf_category                      spectral_peak_list
   _Spectral_peak_list.Sf_framecode                     spectral_peak_list_10
   _Spectral_peak_list.Entry_ID                         27171
   _Spectral_peak_list.ID                               10
   _Spectral_peak_list.Sample_ID                        1
   _Spectral_peak_list.Sample_label                     $sample_1
   _Spectral_peak_list.Sample_condition_list_ID         1
   _Spectral_peak_list.Sample_condition_list_label      $sample_conditions_1
   _Spectral_peak_list.Experiment_ID                    1
   _Spectral_peak_list.Experiment_name                  '2D 1H-15N HSQC'
   _Spectral_peak_list.Experiment_class                 .
   _Spectral_peak_list.Experiment_type                  .
   _Spectral_peak_list.Number_of_spectral_dimensions    2
   _Spectral_peak_list.Chemical_shift_list              .
   _Spectral_peak_list.Assigned_chem_shift_list_ID      .
   _Spectral_peak_list.Assigned_chem_shift_list_label   .
   _Spectral_peak_list.Details                          .
   _Spectral_peak_list.Text_data_format                 text
   _Spectral_peak_list.Text_data
;
Assignment         w1         w2  

            91N-H    122.842      8.024 
            92N-H    120.125      7.011 
            93N-H    115.191      8.189 
            94N-H    121.344      8.307 
            95N-H    120.577      8.331 
            96N-H    118.807      8.241 
            97N-H    118.375      7.180 
            98N-H    119.417      7.997 
            99N-H    124.965      9.155 
           100N-H    118.749      8.050 
           101N-H    118.572      8.349 
           102N-H    116.702      8.212 
           103N-H    123.536      8.453 
           104N-H    121.116      8.896 
           105N-H    112.855      7.213 
           106N-H    119.787      7.511 
           107N-H    123.120      8.862 
           108N-H    118.157      7.710 
           109N-H    121.543      7.576 
           110N-H    117.521      8.744 
           111N-H    125.315      9.202 
           112N-H    120.902      7.721 
           113N-H    116.587      7.190 
           114N-H    121.269      7.201 
           115N-H    114.472      7.493 
           116N-H    119.164      6.963 
           119N-H    112.755      6.813 
           120N-H    124.612      8.933 
           121N-H    120.973      9.225 
           122N-H    114.564      9.155 
           123N-H    123.169      7.291 
           124N-H    129.467      8.771 
           125N-H    124.970      8.175 
           126N-H    122.338      8.835 
           127N-H    127.225      8.980 
           128N-H    115.862      8.095 
           129N-H    120.181      7.910 
           130N-H    106.987      8.681 
           131N-H    119.487      7.637 
           132N-H    133.751      9.560 
           133N-H    125.315      9.202 
           134N-H    128.541      9.117 
           135N-H    130.874      8.850 
           136N-H    124.183      8.456 
           137N-H    103.610      7.524 
           138N-H    107.917      9.108 
           140N-H    120.699      8.317 
           141N-H    105.941      7.999 
           142N-H    115.104      7.910 
           143N-H    125.736      9.273 
           144N-H    119.708      7.873 
           145N-H    131.576      9.657 
           151N-H    111.310      6.979 
           153N-H    112.260      7.057 
           157N-H    121.566      9.206 
           160N-H    113.402      7.790 
           161N-H    114.719      8.182 
           162N-H    113.441      7.889 
           164N-H    122.431      9.032 
           165N-H    120.035      6.319 
           166N-H    122.298      9.566 
           167N-H    122.338      8.835 
           168N-H    122.903      9.288 
         168NE-HE    128.689     10.125 
           169N-H    117.442      8.299 
           171N-H    115.541      6.668 
           172N-H    116.747      6.554 
           173N-H    120.007      8.888 
         173NE-HE    130.296      9.932 
           174N-H    122.617      9.503 
           175N-H    131.732      7.892 
         175NE-HE    127.528     10.406 
           176N-H    127.577      9.390 
           177N-H    117.232      5.876 
           178N-H    113.443      6.691 
           179N-H    110.482      8.617 
           180N-H    125.377      8.682 
           181N-H    128.357      9.205 
           182N-H    124.222      8.244 
           183N-H    115.767      7.553 
           184N-H    123.339      8.222 
           185N-H    124.772      8.452 
           186N-H    117.896      8.095 
           188N-H    122.402      7.912 
           189N-H    117.589      8.864 
           190N-H    120.973      9.225 
           191N-H    118.237      7.864 
           193N-H    120.721      8.215 
           194N-H    112.882      8.635 
           195N-H    116.215      7.416 
           196N-H    114.322      7.318 
           197N-H    124.381      7.908 
           198N-H    131.167      8.050 
           199N-H    119.849      8.259 
           200N-H    129.460      8.046 
           201N-H    115.137      8.291 
           202N-H    116.702      8.212 
           203N-H    122.532      6.965 
           204N-H    122.659      7.947 
           205N-H    114.068      8.387 
           206N-H    111.561      7.452 
           207N-H    112.685      8.873 
           208N-H    123.323      7.933 
           209N-H    123.435      8.536 
           210N-H    129.940      7.686
;

   loop_
      _Spectral_dim.ID
      _Spectral_dim.Axis_code
      _Spectral_dim.Spectrometer_frequency
      _Spectral_dim.Atom_type
      _Spectral_dim.Atom_isotope_number
      _Spectral_dim.Spectral_region
      _Spectral_dim.Magnetization_linkage_ID
      _Spectral_dim.Under_sampling_type
      _Spectral_dim.Sweep_width
      _Spectral_dim.Sweep_width_units
      _Spectral_dim.Value_first_point
      _Spectral_dim.Absolute_peak_positions
      _Spectral_dim.Acquisition
      _Spectral_dim.Center_frequency_offset
      _Spectral_dim.Encoding_code
      _Spectral_dim.Encoded_reduced_dimension_ID
      _Spectral_dim.Entry_ID
      _Spectral_dim.Spectral_peak_list_ID

      2   .   .   H,N   15   HN   .   .   6   ppm   .   .   .   .   .   .   27171   10
   stop_
save_

save_spectral_peak_list_11
   _Spectral_peak_list.Sf_category                      spectral_peak_list
   _Spectral_peak_list.Sf_framecode                     spectral_peak_list_11
   _Spectral_peak_list.Entry_ID                         27171
   _Spectral_peak_list.ID                               11
   _Spectral_peak_list.Sample_ID                        1
   _Spectral_peak_list.Sample_label                     $sample_1
   _Spectral_peak_list.Sample_condition_list_ID         1
   _Spectral_peak_list.Sample_condition_list_label      $sample_conditions_1
   _Spectral_peak_list.Experiment_ID                    1
   _Spectral_peak_list.Experiment_name                  '2D 1H-15N HSQC'
   _Spectral_peak_list.Experiment_class                 .
   _Spectral_peak_list.Experiment_type                  .
   _Spectral_peak_list.Number_of_spectral_dimensions    2
   _Spectral_peak_list.Chemical_shift_list              .
   _Spectral_peak_list.Assigned_chem_shift_list_ID      .
   _Spectral_peak_list.Assigned_chem_shift_list_label   .
   _Spectral_peak_list.Details                          .
   _Spectral_peak_list.Text_data_format                 text
   _Spectral_peak_list.Text_data
;
Assignment         w1         w2   Data Height 

            91N-H    122.822      8.020      1802710 
            92N-H    120.098      7.004      2130415 
            94N-H    121.340      8.300      1930745 
            95N-H    120.651      8.309      1877001 
            97N-H    118.392      7.174      1938097 
            99N-H    124.938      9.149      1865299 
           100N-H    118.741      8.043      1552255 
           101N-H    118.588      8.342      1668491 
           103N-H    123.539      8.446      1487391 
           104N-H    121.117      8.897      1728521 
           105N-H    112.889      7.204      1855474 
           107N-H    123.103      8.856      1787116 
           109N-H    121.546      7.573      2086484 
           112N-H    120.874      7.707      2246146 
           113N-H    116.502      7.181      1687129 
           122N-H    114.566      9.150      1802174 
           123N-H    123.168      7.284      2032584 
           125N-H    124.984      8.173      1856778 
           128N-H    115.859      8.087      1570370 
           131N-H    119.513      7.632      1934375 
           132N-H    133.736      9.556      1290787 
           133N-H    125.293      9.190      1862501 
           137N-H    103.601      7.518      1522917 
           140N-H    120.651      8.309      1877001 
           141N-H    105.890      7.992      1557854 
           160N-H    113.422      7.790      1661447 
           162N-H    113.463      7.882      1649336 
           164N-H    122.440      9.028      1701516 
           166N-H    122.284      9.559      1597416 
           167N-H    122.193      8.818      2009586 
         168NE-HE    128.667     10.120      1649230 
         173NE-HE    130.309      9.927      1277225 
           174N-H    122.614      9.496      1370356 
           175N-H    131.754      7.888      1385495 
         175NE-HE    127.530     10.399      1371238 
           180N-H    125.353      8.675      1823056 
           183N-H    115.787      7.547      1592153 
           185N-H    124.762      8.448      1461757 
           186N-H    117.874      8.090      1802395 
           188N-H    122.523      7.909      2268512 
           189N-H    117.610      8.858      1718695 
           190N-H    120.980      9.221      1640586 
           191N-H    118.190      7.855      1601063 
           193N-H    120.717      8.208      2029073 
           194N-H    112.840      8.629      1728357 
           195N-H    116.196      7.412      1564469 
           196N-H    114.313      7.313      1918220 
           197N-H    124.386      7.903      2348979 
           199N-H    119.870      8.245      1475638 
           201N-H    115.086      8.286      1775959 
           203N-H    122.527      6.956      1736424 
           204N-H    122.523      7.909      2268512 
           206N-H    111.547      7.445      1926938 
           209N-H    123.414      8.528      1812207 
           210N-H    129.928      7.681      4285762
;

   loop_
      _Spectral_dim.ID
      _Spectral_dim.Axis_code
      _Spectral_dim.Spectrometer_frequency
      _Spectral_dim.Atom_type
      _Spectral_dim.Atom_isotope_number
      _Spectral_dim.Spectral_region
      _Spectral_dim.Magnetization_linkage_ID
      _Spectral_dim.Under_sampling_type
      _Spectral_dim.Sweep_width
      _Spectral_dim.Sweep_width_units
      _Spectral_dim.Value_first_point
      _Spectral_dim.Absolute_peak_positions
      _Spectral_dim.Acquisition
      _Spectral_dim.Center_frequency_offset
      _Spectral_dim.Encoding_code
      _Spectral_dim.Encoded_reduced_dimension_ID
      _Spectral_dim.Entry_ID
      _Spectral_dim.Spectral_peak_list_ID

      2   .   .   H,N   15   HN   .   .   6   ppm   .   .   .   .   .   .   27171   11
   stop_
save_

save_spectral_peak_list_12
   _Spectral_peak_list.Sf_category                      spectral_peak_list
   _Spectral_peak_list.Sf_framecode                     spectral_peak_list_12
   _Spectral_peak_list.Entry_ID                         27171
   _Spectral_peak_list.ID                               12
   _Spectral_peak_list.Sample_ID                        1
   _Spectral_peak_list.Sample_label                     $sample_1
   _Spectral_peak_list.Sample_condition_list_ID         1
   _Spectral_peak_list.Sample_condition_list_label      $sample_conditions_1
   _Spectral_peak_list.Experiment_ID                    1
   _Spectral_peak_list.Experiment_name                  '2D 1H-15N HSQC'
   _Spectral_peak_list.Experiment_class                 .
   _Spectral_peak_list.Experiment_type                  .
   _Spectral_peak_list.Number_of_spectral_dimensions    2
   _Spectral_peak_list.Chemical_shift_list              .
   _Spectral_peak_list.Assigned_chem_shift_list_ID      .
   _Spectral_peak_list.Assigned_chem_shift_list_label   .
   _Spectral_peak_list.Details                          .
   _Spectral_peak_list.Text_data_format                 text
   _Spectral_peak_list.Text_data
;
Assignment         w1         w2  

            91N-H    122.778      8.019 
            92N-H    120.121      7.021 
            93N-H    115.162      8.191 
            94N-H    121.271      8.309 
            95N-H    120.643      8.315 
            96N-H    118.890      8.246 
            97N-H    118.388      7.179 
            98N-H    119.388      8.017 
            99N-H    124.974      9.180 
           100N-H    118.736      8.040 
           101N-H    118.565      8.351 
           102N-H    116.665      8.221 
           103N-H    123.523      8.455 
           104N-H    121.044      8.890 
           105N-H    112.822      7.219 
           106N-H    119.791      7.515 
           107N-H    123.076      8.863 
           108N-H    118.072      7.706 
           109N-H    121.526      7.573 
           110N-H    117.549      8.741 
           111N-H    125.152      9.213 
           112N-H    120.808      7.725 
           113N-H    116.627      7.184 
           115N-H    114.371      7.480 
           119N-H    112.976      6.824 
           120N-H    124.632      8.938 
           122N-H    114.502      9.146 
           123N-H    123.207      7.292 
           124N-H    129.417      8.777 
           125N-H    124.936      8.169 
           126N-H    122.278      8.830 
           128N-H    115.857      8.086 
           129N-H    120.207      7.910 
           130N-H    107.038      8.682 
           131N-H    119.462      7.637 
           132N-H    133.749      9.561 
           133N-H    125.152      9.213 
           134N-H    128.414      9.107 
           135N-H    130.878      8.846 
           136N-H    124.177      8.472 
           137N-H    103.534      7.511 
           138N-H    107.900      9.101 
           140N-H    120.643      8.315 
           141N-H    105.899      7.993 
           142N-H    115.153      7.930 
           143N-H    125.609      9.286 
           154N-H    124.109      8.531 
           161N-H    115.162      8.191 
           162N-H    113.337      7.891 
           166N-H    122.298      9.557 
           167N-H    122.278      8.830 
           168N-H    122.886      9.298 
         168NE-HE    128.668     10.122 
           169N-H    117.494      8.300 
           171N-H    115.568      6.679 
           172N-H    116.790      6.551 
           173N-H    120.018      8.894 
         173NE-HE    130.260      9.927 
           174N-H    122.654      9.506 
           175N-H    131.733      7.882 
         175NE-HE    127.505     10.389 
           176N-H    127.498      9.385 
           177N-H    117.116      5.883 
           178N-H    113.404      6.683 
           179N-H    110.461      8.618 
           180N-H    125.438      8.674 
           181N-H    128.303      9.199 
           182N-H    124.292      8.251 
           183N-H    115.745      7.554 
           184N-H    123.336      8.221 
           185N-H    124.797      8.454 
           186N-H    117.858      8.099 
           188N-H    122.433      7.910 
           189N-H    117.608      8.864 
           190N-H    121.062      9.234 
           191N-H    118.226      7.871 
           193N-H    120.702      8.216 
           194N-H    112.875      8.632 
           195N-H    116.204      7.418 
           196N-H    114.329      7.316 
           197N-H    124.382      7.909 
           198N-H    131.221      8.052 
           199N-H    119.843      8.262 
           200N-H    129.364      8.057 
           201N-H    115.134      8.292 
           202N-H    116.665      8.221 
           203N-H    122.513      6.970 
           204N-H    122.670      7.941 
           205N-H    114.030      8.388 
           206N-H    111.529      7.449 
           207N-H    112.667      8.872 
           208N-H    123.371      7.909 
           209N-H    123.440      8.534 
           210N-H    129.926      7.686
;

   loop_
      _Spectral_dim.ID
      _Spectral_dim.Axis_code
      _Spectral_dim.Spectrometer_frequency
      _Spectral_dim.Atom_type
      _Spectral_dim.Atom_isotope_number
      _Spectral_dim.Spectral_region
      _Spectral_dim.Magnetization_linkage_ID
      _Spectral_dim.Under_sampling_type
      _Spectral_dim.Sweep_width
      _Spectral_dim.Sweep_width_units
      _Spectral_dim.Value_first_point
      _Spectral_dim.Absolute_peak_positions
      _Spectral_dim.Acquisition
      _Spectral_dim.Center_frequency_offset
      _Spectral_dim.Encoding_code
      _Spectral_dim.Encoded_reduced_dimension_ID
      _Spectral_dim.Entry_ID
      _Spectral_dim.Spectral_peak_list_ID

      2   .   .   H,N   15   HN   .   .   6   ppm   .   .   .   .   .   .   27171   12
   stop_
save_

save_spectral_peak_list_13
   _Spectral_peak_list.Sf_category                      spectral_peak_list
   _Spectral_peak_list.Sf_framecode                     spectral_peak_list_13
   _Spectral_peak_list.Entry_ID                         27171
   _Spectral_peak_list.ID                               13
   _Spectral_peak_list.Sample_ID                        1
   _Spectral_peak_list.Sample_label                     $sample_1
   _Spectral_peak_list.Sample_condition_list_ID         1
   _Spectral_peak_list.Sample_condition_list_label      $sample_conditions_1
   _Spectral_peak_list.Experiment_ID                    1
   _Spectral_peak_list.Experiment_name                  '2D 1H-15N HSQC'
   _Spectral_peak_list.Experiment_class                 .
   _Spectral_peak_list.Experiment_type                  .
   _Spectral_peak_list.Number_of_spectral_dimensions    2
   _Spectral_peak_list.Chemical_shift_list              .
   _Spectral_peak_list.Assigned_chem_shift_list_ID      .
   _Spectral_peak_list.Assigned_chem_shift_list_label   .
   _Spectral_peak_list.Details                          .
   _Spectral_peak_list.Text_data_format                 text
   _Spectral_peak_list.Text_data
;
Assignment         w1         w2  

            91N-H    122.842      8.024 
            92N-H    120.125      7.009 
            93N-H    115.193      8.184 
            94N-H    121.313      8.303 
            95N-H    120.583      8.324 
            96N-H    118.811      8.237 
            97N-H    118.387      7.174 
            98N-H    119.414      7.990 
            99N-H    124.943      9.150 
           100N-H    118.753      8.044 
           101N-H    118.538      8.343 
           102N-H    116.679      8.206 
           103N-H    123.552      8.453 
           104N-H    121.102      8.899 
           105N-H    112.883      7.206 
           106N-H    119.804      7.509 
           107N-H    123.112      8.857 
           108N-H    118.152      7.699 
           109N-H    121.567      7.574 
           110N-H    117.509      8.737 
           111N-H    125.257      9.192 
           112N-H    120.855      7.708 
           113N-H    116.508      7.181 
           114N-H    121.248      7.195 
           115N-H    114.463      7.495 
           116N-H    119.156      6.957 
           118N-H    110.495      5.834 
           119N-H    112.832      6.812 
           120N-H    124.626      8.928 
           121N-H    120.978      9.223 
           122N-H    114.560      9.151 
           123N-H    123.165      7.286 
           124N-H    129.461      8.763 
           125N-H    124.998      8.175 
           126N-H    122.260      8.824 
           127N-H    127.282      8.974 
           128N-H    115.842      8.088 
           129N-H    120.192      7.905 
           130N-H    106.974      8.678 
           131N-H    119.490      7.633 
           132N-H    133.747      9.557 
           133N-H    125.257      9.192 
           134N-H    128.540      9.113 
           135N-H    130.897      8.848 
           136N-H    124.173      8.454 
           137N-H    103.578      7.518 
           138N-H    107.918      9.106 
           140N-H    120.583      8.324 
           141N-H    105.906      7.994 
           142N-H    115.117      7.905 
           143N-H    125.764      9.274 
           144N-H    119.697      7.869 
           145N-H    131.595      9.654 
           146N-H    122.289      9.559 
           147N-H    121.791      8.394 
           148N-H    130.065      7.724 
           149N-H    123.980      8.548 
           151N-H    111.294      6.973 
           152N-H    118.232      7.862 
           153N-H    112.247      7.055 
           154N-H    124.130      8.521 
           155N-H    131.557      9.451 
           156N-H    123.653      8.657 
           157N-H    121.551      9.204 
           158N-H    121.352      7.532 
           160N-H    113.408      7.788 
           161N-H    114.709      8.180 
           162N-H    113.435      7.884 
           164N-H    122.436      9.029 
           165N-H    120.015      6.310 
           166N-H    122.171      9.542 
           167N-H    122.260      8.824 
           168N-H    122.891      9.282 
         168NE-HE    128.684     10.120 
           169N-H    117.472      8.298 
           171N-H    115.515      6.669 
           172N-H    116.731      6.549 
           173N-H    119.998      8.888 
         173NE-HE    130.296      9.929 
           174N-H    122.611      9.498 
           175N-H    131.742      7.887 
         175NE-HE    127.527     10.405 
           176N-H    127.572      9.389 
           177N-H    117.206      5.873 
           178N-H    113.429      6.689 
           179N-H    110.478      8.613 
           180N-H    125.365      8.676 
           181N-H    128.346      9.201 
           182N-H    124.245      8.240 
           183N-H    115.759      7.550 
           184N-H    123.333      8.218 
           185N-H    124.759      8.449 
           186N-H    117.891      8.090 
           188N-H    122.388      7.907 
           189N-H    117.587      8.861 
           190N-H    120.978      9.223 
           191N-H    118.232      7.862 
           193N-H    120.709      8.212 
           194N-H    112.873      8.631 
           195N-H    116.206      7.414 
           196N-H    114.313      7.314 
           197N-H    124.374      7.903 
           198N-H    131.171      8.049 
           199N-H    119.849      8.255 
           200N-H    129.467      8.053 
           201N-H    115.122      8.288 
           202N-H    116.679      8.206 
           203N-H    122.526      6.961 
           204N-H    122.663      7.937 
           205N-H    114.041      8.385 
           206N-H    111.543      7.447 
           207N-H    112.674      8.872 
           208N-H    123.318      7.939 
           209N-H    123.441      8.530 
           210N-H    129.929      7.683
;

   loop_
      _Spectral_dim.ID
      _Spectral_dim.Axis_code
      _Spectral_dim.Spectrometer_frequency
      _Spectral_dim.Atom_type
      _Spectral_dim.Atom_isotope_number
      _Spectral_dim.Spectral_region
      _Spectral_dim.Magnetization_linkage_ID
      _Spectral_dim.Under_sampling_type
      _Spectral_dim.Sweep_width
      _Spectral_dim.Sweep_width_units
      _Spectral_dim.Value_first_point
      _Spectral_dim.Absolute_peak_positions
      _Spectral_dim.Acquisition
      _Spectral_dim.Center_frequency_offset
      _Spectral_dim.Encoding_code
      _Spectral_dim.Encoded_reduced_dimension_ID
      _Spectral_dim.Entry_ID
      _Spectral_dim.Spectral_peak_list_ID

      2   .   .   H,N   15   HN   .   .   6   ppm   .   .   .   .   .   .   27171   13
   stop_
save_