data_1639

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

save_entry_information
   _Entry.Sf_category                    entry_information
   _Entry.Sf_framecode                   entry_information
   _Entry.ID                             1639
   _Entry.Title                         
;
Sequential 1H NMR Assignments and Secondary Structure of an IgG-Binding Domain 
from Protein G
;
   _Entry.Type                           macromolecule
   _Entry.Version_type                   update
   _Entry.Submission_date                1995-07-31
   _Entry.Accession_date                 1996-04-13
   _Entry.Last_release_date              .
   _Entry.Original_release_date          .
   _Entry.Origination                    BMRB
   _Entry.NMR_STAR_version               3.1.1.61
   _Entry.Original_NMR_STAR_version      2.1
   _Entry.Experimental_method            NMR
   _Entry.Experimental_method_subtype    .
   _Entry.Details                        .
   _Entry.BMRB_internal_directory_name   .

   loop_
      _Entry_author.Ordinal
      _Entry_author.Given_name
      _Entry_author.Family_name
      _Entry_author.First_initial
      _Entry_author.Middle_initials
      _Entry_author.Family_title
      _Entry_author.Entry_ID

      1 Lu-Yun  Lian      . .    . 1639 
      2 J.      Yang      . C.   . 1639 
      3 J.      Derrick   . P.   . 1639 
      4 Michael Sutcliffe . J.   . 1639 
      5 G.      Roberts   . C.K. . 1639 
      6 J.      Murphy    . P.   . 1639 
      7 C.      Goward    . R.   . 1639 
      8 T.      Atkinson  . .    . 1639 

   stop_

   loop_
      _Data_set.Type
      _Data_set.Count
      _Data_set.Entry_ID

      assigned_chemical_shifts 1 1639 

   stop_

   loop_
      _Datum.Type
      _Datum.Count
      _Datum.Entry_ID

      '1H chemical shifts' 426 1639 

   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

      5 . . 2010-06-15 . revision BMRB 'Complete natural source information'                    1639 
      4 . . 1999-06-14 . revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format'                1639 
      3 . . 1996-04-13 . revision BMRB 'Link to the Protein Data Bank added'                    1639 
      2 . . 1996-03-25 . reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 1639 
      1 . . 1995-07-31 . original BMRB 'Last release in original BMRB flat-file format'         1639 

   stop_

save_


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

save_entry_citation
   _Citation.Sf_category                  citations
   _Citation.Sf_framecode                 entry_citation
   _Citation.Entry_ID                     1639
   _Citation.ID                           1
   _Citation.Class                       'entry citation'
   _Citation.CAS_abstract_code            .
   _Citation.MEDLINE_UI_code              .
   _Citation.DOI                          .
   _Citation.PubMed_ID                    .
   _Citation.Full_citation               
;
Lian, Lu-Yun, Yang, J. C., Derrick, J. P., Sutcliffe, Michael J., 
 Roberts, G.C.K., Murphy, J. P., Goward, C. R., Atkinson, T., 
 "Sequential 1H NMR Assignments and Secondary Structure of an IgG-Binding 
 Domain from Protein G,"
 Biochemistry 30, 5335-5340 (1991).
;
   _Citation.Title                       
;
Sequential 1H NMR Assignments and Secondary Structure of an IgG-Binding Domain 
from Protein G
;
   _Citation.Status                       published
   _Citation.Type                         journal
   _Citation.Journal_abbrev               Biochemistry
   _Citation.Journal_name_full            .
   _Citation.Journal_volume               30
   _Citation.Journal_issue                .
   _Citation.Journal_ASTM                 .
   _Citation.Journal_ISSN                 .
   _Citation.Journal_CSD                  .
   _Citation.Book_title                   .
   _Citation.Book_chapter_title           .
   _Citation.Book_volume                  .
   _Citation.Book_series                  .
   _Citation.Book_publisher               .
   _Citation.Book_publisher_city          .
   _Citation.Book_ISBN                    .
   _Citation.Conference_title             .
   _Citation.Conference_site              .
   _Citation.Conference_state_province    .
   _Citation.Conference_country           .
   _Citation.Conference_start_date        .
   _Citation.Conference_end_date          .
   _Citation.Conference_abstract_number   .
   _Citation.Thesis_institution           .
   _Citation.Thesis_institution_city      .
   _Citation.Thesis_institution_country   .
   _Citation.WWW_URL                      .
   _Citation.Page_first                   5335
   _Citation.Page_last                    5340
   _Citation.Year                         1991
   _Citation.Details                      .

   loop_
      _Citation_author.Ordinal
      _Citation_author.Given_name
      _Citation_author.Family_name
      _Citation_author.First_initial
      _Citation_author.Middle_initials
      _Citation_author.Family_title
      _Citation_author.Entry_ID
      _Citation_author.Citation_ID

      1 Lu-Yun  Lian      . .    . 1639 1 
      2 J.      Yang      . C.   . 1639 1 
      3 J.      Derrick   . P.   . 1639 1 
      4 Michael Sutcliffe . J.   . 1639 1 
      5 G.      Roberts   . C.K. . 1639 1 
      6 J.      Murphy    . P.   . 1639 1 
      7 C.      Goward    . R.   . 1639 1 
      8 T.      Atkinson  . .    . 1639 1 

   stop_

save_


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

save_system_IgG_Fc_region-binding_protein
   _Assembly.Sf_category                       assembly
   _Assembly.Sf_framecode                      system_IgG_Fc_region-binding_protein
   _Assembly.Entry_ID                          1639
   _Assembly.ID                                1
   _Assembly.Name                             'IgG Fc region-binding protein'
   _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                      .
   _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 'IgG Fc region-binding protein' 1 $IgG_Fc_region-binding_protein . . . . . . . . . 1639 1 

   stop_

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

      'IgG Fc region-binding protein' system 1639 1 

   stop_

save_


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

save_IgG_Fc_region-binding_protein
   _Entity.Sf_category                       entity
   _Entity.Sf_framecode                      IgG_Fc_region-binding_protein
   _Entity.Entry_ID                          1639
   _Entity.ID                                1
   _Entity.BMRB_code                         .
   _Entity.Name                             'IgG Fc region-binding protein'
   _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  
;
LTPAVTTYKLVINGKTLKGE
TTTEAVDAATAEKVFKQYAN
DNGVDGEWTYDDATKTFTVT
EKPE
;
   _Entity.Polymer_seq_one_letter_code      
;
LTPAVTTYKLVINGKTLKGE
TTTEAVDAATAEKVFKQYAN
DNGVDGEWTYDDATKTFTVT
EKPE
;
   _Entity.Target_identifier                 .
   _Entity.Polymer_author_defined_seq        .
   _Entity.Polymer_author_seq_details        .
   _Entity.Ambiguous_conformational_states   .
   _Entity.Ambiguous_chem_comp_sites         .
   _Entity.Nstd_monomer                      .
   _Entity.Nstd_chirality                    .
   _Entity.Nstd_linkage                      .
   _Entity.Nonpolymer_comp_ID                .
   _Entity.Nonpolymer_comp_label             .
   _Entity.Number_of_monomers                64
   _Entity.Number_of_nonpolymer_components   .
   _Entity.Paramagnetic                      .
   _Entity.Thiol_state                       .
   _Entity.Src_method                        .
   _Entity.Parent_entity_ID                  1
   _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        2014-06-03

   loop_
      _Entity_db_link.Author_supplied
      _Entity_db_link.Database_code
      _Entity_db_link.Accession_code
      _Entity_db_link.Entry_mol_code
      _Entity_db_link.Entry_mol_name
      _Entity_db_link.Entry_experimental_method
      _Entity_db_link.Entry_structure_resolution
      _Entity_db_link.Entry_relation_type
      _Entity_db_link.Entry_details
      _Entity_db_link.Chimera_segment_ID
      _Entity_db_link.Seq_query_to_submitted_percent
      _Entity_db_link.Seq_subject_length
      _Entity_db_link.Seq_identity
      _Entity_db_link.Seq_positive
      _Entity_db_link.Seq_homology_expectation_val
      _Entity_db_link.Seq_align_begin
      _Entity_db_link.Seq_align_end
      _Entity_db_link.Seq_difference_details
      _Entity_db_link.Seq_alignment_details
      _Entity_db_link.Entry_ID
      _Entity_db_link.Entity_ID

      no PDB  1FCC     . "Crystal Structure Of The C2 Fragment Of Streptococcal Protein G In Complex With The Fc Domain Of Human Igg" . . . . .  87.50  56 100.00 100.00 1.81e-29 . . . . 1639 1 
      no PDB  1UWX     . "P1.2 Serosubtype Antigen Derived From N. Meningitidis Pora In Complex With Fab Fragment"                    . . . . .  98.44  63  98.41 100.00 3.37e-34 . . . . 1639 1 
      no PDB  2IGG     . "Determination Of The Solution Structures Of Domains Ii And Iii Of Protein G From Streptococcus By 1h Nmr"   . . . . . 100.00  64 100.00 100.00 1.08e-35 . . . . 1639 1 
      no EMBL CAA37410 . "Protein G' [Streptococcus sp. 'group G']"                                                                   . . . . .  75.00 185  97.92 100.00 1.95e-22 . . . . 1639 1 

   stop_

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

      'IgG Fc region-binding protein' common  1639 1 
      'protein G, IgG-binding domain' variant 1639 1 

   stop_

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

       1 . LEU . 1639 1 
       2 . THR . 1639 1 
       3 . PRO . 1639 1 
       4 . ALA . 1639 1 
       5 . VAL . 1639 1 
       6 . THR . 1639 1 
       7 . THR . 1639 1 
       8 . TYR . 1639 1 
       9 . LYS . 1639 1 
      10 . LEU . 1639 1 
      11 . VAL . 1639 1 
      12 . ILE . 1639 1 
      13 . ASN . 1639 1 
      14 . GLY . 1639 1 
      15 . LYS . 1639 1 
      16 . THR . 1639 1 
      17 . LEU . 1639 1 
      18 . LYS . 1639 1 
      19 . GLY . 1639 1 
      20 . GLU . 1639 1 
      21 . THR . 1639 1 
      22 . THR . 1639 1 
      23 . THR . 1639 1 
      24 . GLU . 1639 1 
      25 . ALA . 1639 1 
      26 . VAL . 1639 1 
      27 . ASP . 1639 1 
      28 . ALA . 1639 1 
      29 . ALA . 1639 1 
      30 . THR . 1639 1 
      31 . ALA . 1639 1 
      32 . GLU . 1639 1 
      33 . LYS . 1639 1 
      34 . VAL . 1639 1 
      35 . PHE . 1639 1 
      36 . LYS . 1639 1 
      37 . GLN . 1639 1 
      38 . TYR . 1639 1 
      39 . ALA . 1639 1 
      40 . ASN . 1639 1 
      41 . ASP . 1639 1 
      42 . ASN . 1639 1 
      43 . GLY . 1639 1 
      44 . VAL . 1639 1 
      45 . ASP . 1639 1 
      46 . GLY . 1639 1 
      47 . GLU . 1639 1 
      48 . TRP . 1639 1 
      49 . THR . 1639 1 
      50 . TYR . 1639 1 
      51 . ASP . 1639 1 
      52 . ASP . 1639 1 
      53 . ALA . 1639 1 
      54 . THR . 1639 1 
      55 . LYS . 1639 1 
      56 . THR . 1639 1 
      57 . PHE . 1639 1 
      58 . THR . 1639 1 
      59 . VAL . 1639 1 
      60 . THR . 1639 1 
      61 . GLU . 1639 1 
      62 . LYS . 1639 1 
      63 . PRO . 1639 1 
      64 . GLU . 1639 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

      . LEU  1  1 1639 1 
      . THR  2  2 1639 1 
      . PRO  3  3 1639 1 
      . ALA  4  4 1639 1 
      . VAL  5  5 1639 1 
      . THR  6  6 1639 1 
      . THR  7  7 1639 1 
      . TYR  8  8 1639 1 
      . LYS  9  9 1639 1 
      . LEU 10 10 1639 1 
      . VAL 11 11 1639 1 
      . ILE 12 12 1639 1 
      . ASN 13 13 1639 1 
      . GLY 14 14 1639 1 
      . LYS 15 15 1639 1 
      . THR 16 16 1639 1 
      . LEU 17 17 1639 1 
      . LYS 18 18 1639 1 
      . GLY 19 19 1639 1 
      . GLU 20 20 1639 1 
      . THR 21 21 1639 1 
      . THR 22 22 1639 1 
      . THR 23 23 1639 1 
      . GLU 24 24 1639 1 
      . ALA 25 25 1639 1 
      . VAL 26 26 1639 1 
      . ASP 27 27 1639 1 
      . ALA 28 28 1639 1 
      . ALA 29 29 1639 1 
      . THR 30 30 1639 1 
      . ALA 31 31 1639 1 
      . GLU 32 32 1639 1 
      . LYS 33 33 1639 1 
      . VAL 34 34 1639 1 
      . PHE 35 35 1639 1 
      . LYS 36 36 1639 1 
      . GLN 37 37 1639 1 
      . TYR 38 38 1639 1 
      . ALA 39 39 1639 1 
      . ASN 40 40 1639 1 
      . ASP 41 41 1639 1 
      . ASN 42 42 1639 1 
      . GLY 43 43 1639 1 
      . VAL 44 44 1639 1 
      . ASP 45 45 1639 1 
      . GLY 46 46 1639 1 
      . GLU 47 47 1639 1 
      . TRP 48 48 1639 1 
      . THR 49 49 1639 1 
      . TYR 50 50 1639 1 
      . ASP 51 51 1639 1 
      . ASP 52 52 1639 1 
      . ALA 53 53 1639 1 
      . THR 54 54 1639 1 
      . LYS 55 55 1639 1 
      . THR 56 56 1639 1 
      . PHE 57 57 1639 1 
      . THR 58 58 1639 1 
      . VAL 59 59 1639 1 
      . THR 60 60 1639 1 
      . GLU 61 61 1639 1 
      . LYS 62 62 1639 1 
      . PRO 63 63 1639 1 
      . GLU 64 64 1639 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       1639
   _Entity_natural_src_list.ID             1

   loop_
      _Entity_natural_src.ID
      _Entity_natural_src.Entity_ID
      _Entity_natural_src.Entity_label
      _Entity_natural_src.Entity_chimera_segment_ID
      _Entity_natural_src.NCBI_taxonomy_ID
      _Entity_natural_src.Type
      _Entity_natural_src.Common
      _Entity_natural_src.Organism_name_scientific
      _Entity_natural_src.Organism_name_common
      _Entity_natural_src.Organism_acronym
      _Entity_natural_src.ICTVdb_decimal_code
      _Entity_natural_src.Superkingdom
      _Entity_natural_src.Kingdom
      _Entity_natural_src.Genus
      _Entity_natural_src.Species
      _Entity_natural_src.Strain
      _Entity_natural_src.Variant
      _Entity_natural_src.Subvariant
      _Entity_natural_src.Organ
      _Entity_natural_src.Tissue
      _Entity_natural_src.Tissue_fraction
      _Entity_natural_src.Cell_line
      _Entity_natural_src.Cell_type
      _Entity_natural_src.ATCC_number
      _Entity_natural_src.Organelle
      _Entity_natural_src.Cellular_location
      _Entity_natural_src.Fragment
      _Entity_natural_src.Fraction
      _Entity_natural_src.Secretion
      _Entity_natural_src.Plasmid
      _Entity_natural_src.Plasmid_details
      _Entity_natural_src.Gene_mnemonic
      _Entity_natural_src.Dev_stage
      _Entity_natural_src.Details
      _Entity_natural_src.Citation_ID
      _Entity_natural_src.Citation_label
      _Entity_natural_src.Entry_ID
      _Entity_natural_src.Entity_natural_src_list_ID

      1 1 $IgG_Fc_region-binding_protein . 1306 organism . 'Streptococcus sp.' . . . Bacteria . Streptococcus sp. G148 . . . . . . . . . . . . . . . . . . . . 1639 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       1639
   _Entity_experimental_src_list.ID             1

   loop_
      _Entity_experimental_src.ID
      _Entity_experimental_src.Entity_ID
      _Entity_experimental_src.Entity_label
      _Entity_experimental_src.Entity_chimera_segment_ID
      _Entity_experimental_src.Production_method
      _Entity_experimental_src.Host_org_scientific_name
      _Entity_experimental_src.Host_org_name_common
      _Entity_experimental_src.Host_org_details
      _Entity_experimental_src.Host_org_NCBI_taxonomy_ID
      _Entity_experimental_src.Host_org_genus
      _Entity_experimental_src.Host_org_species
      _Entity_experimental_src.Host_org_strain
      _Entity_experimental_src.Host_org_variant
      _Entity_experimental_src.Host_org_subvariant
      _Entity_experimental_src.Host_org_organ
      _Entity_experimental_src.Host_org_tissue
      _Entity_experimental_src.Host_org_tissue_fraction
      _Entity_experimental_src.Host_org_cell_line
      _Entity_experimental_src.Host_org_cell_type
      _Entity_experimental_src.Host_org_cellular_location
      _Entity_experimental_src.Host_org_organelle
      _Entity_experimental_src.Host_org_gene
      _Entity_experimental_src.Host_org_culture_collection
      _Entity_experimental_src.Host_org_ATCC_number
      _Entity_experimental_src.Vector_type
      _Entity_experimental_src.PDBview_host_org_vector_name
      _Entity_experimental_src.PDBview_plasmid_name
      _Entity_experimental_src.Vector_name
      _Entity_experimental_src.Vector_details
      _Entity_experimental_src.Vendor_name
      _Entity_experimental_src.Host_org_dev_stage
      _Entity_experimental_src.Details
      _Entity_experimental_src.Citation_ID
      _Entity_experimental_src.Citation_label
      _Entity_experimental_src.Entry_ID
      _Entity_experimental_src.Entity_experimental_src_list_ID

      1 1 $IgG_Fc_region-binding_protein . 'not available' 'Escherichia coli' . . . Escherichia coli TG2 . . . . . . . . . . . . . . . . . . . . . . 1639 1 

   stop_

save_


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

save_sample_one
   _Sample.Sf_category                      sample
   _Sample.Sf_framecode                     sample_one
   _Sample.Entry_ID                         1639
   _Sample.ID                               1
   _Sample.Type                             solution
   _Sample.Sub_type                         .
   _Sample.Details                          .
   _Sample.Aggregate_sample_number          .
   _Sample.Solvent_system                   .
   _Sample.Preparation_date                 .
   _Sample.Preparation_expiration_date      .
   _Sample.Polycrystallization_protocol     .
   _Sample.Single_crystal_protocol          .
   _Sample.Crystal_grow_apparatus           .
   _Sample.Crystal_grow_atmosphere          .
   _Sample.Crystal_grow_details             .
   _Sample.Crystal_grow_method              .
   _Sample.Crystal_grow_method_cit_ID       .
   _Sample.Crystal_grow_pH                  .
   _Sample.Crystal_grow_pH_range            .
   _Sample.Crystal_grow_pressure            .
   _Sample.Crystal_grow_pressure_esd        .
   _Sample.Crystal_grow_seeding             .
   _Sample.Crystal_grow_seeding_cit_ID      .
   _Sample.Crystal_grow_temp                .
   _Sample.Crystal_grow_temp_details        .
   _Sample.Crystal_grow_temp_esd            .
   _Sample.Crystal_grow_time                .
   _Sample.Oriented_sample_prep_protocol    .
   _Sample.Lyophilization_cryo_protectant   .
   _Sample.Storage_protocol                 .

save_


#######################
#  Sample conditions  #
#######################

save_sample_condition_set_one
   _Sample_condition_list.Sf_category    sample_conditions
   _Sample_condition_list.Sf_framecode   sample_condition_set_one
   _Sample_condition_list.Entry_ID       1639
   _Sample_condition_list.ID             1
   _Sample_condition_list.Details        .

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

      pH            4.2 . na 1639 1 
      temperature 298   . K  1639 1 

   stop_

save_


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

    ##################################
    #  NMR Spectrometer definitions  #
    ##################################

save_spectrometer_list
   _NMR_spectrometer.Sf_category      NMR_spectrometer
   _NMR_spectrometer.Sf_framecode     spectrometer_list
   _NMR_spectrometer.Entry_ID         1639
   _NMR_spectrometer.ID               1
   _NMR_spectrometer.Details         'spectrometer information not available'
   _NMR_spectrometer.Manufacturer     unknown
   _NMR_spectrometer.Model            unknown
   _NMR_spectrometer.Serial_number    .
   _NMR_spectrometer.Field_strength   0

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       1639
   _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 unknown unknown . 0 'spectrometer information not available' . . 1639 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       1639
   _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 . . . . . . . . . . . . 1 $sample_one . . . 1 $sample_condition_set_one . . . 1 $spectrometer_list . . . . . . . . . . . . . . . . 1639 1 

   stop_

save_


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

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

	################################
	#  Chemical shift referencing  #
	################################

save_chem_shift_reference_par_set_one
   _Chem_shift_reference.Sf_category    chem_shift_reference
   _Chem_shift_reference.Sf_framecode   chem_shift_reference_par_set_one
   _Chem_shift_reference.Entry_ID       1639
   _Chem_shift_reference.ID             1
   _Chem_shift_reference.Details       'The chemical shift reference is not available at this time.'

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

      . . . . . . . . . . . . . . . . 1 $entry_citation . . 1 $entry_citation 1639 1 

   stop_

save_


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

###################################################################
#       Chemical Shift Ambiguity Index Value Definitions          #
#                                                                 #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains.                              #
#                                                                 #
#   Index Value            Definition                             #
#                                                                 #
#      1             Unique (including isolated methyl protons,   #
#                         geminal atoms, and geminal methyl       #
#                         groups with identical chemical shifts)  #
#                         (e.g. ILE HD11, HD12, HD13 protons)     #
#      2             Ambiguity of geminal atoms or geminal methyl #
#                         proton groups (e.g. ASP HB2 and HB3     #
#                         protons, LEU CD1 and CD2 carbons, or    #
#                         LEU HD11, HD12, HD13 and HD21, HD22,    #
#                         HD23 methyl protons)                    #
#      3             Aromatic atoms on opposite sides of          #
#                         symmetrical rings (e.g. TYR HE1 and HE2 #
#                         protons)                                #
#      4             Intraresidue ambiguities (e.g. LYS HG and    #
#                         HD protons or TRP HZ2 and HZ3 protons)  #
#      5             Interresidue ambiguities (LYS 12 vs. LYS 27) #
#      6             Intermolecular ambiguities (e.g. ASP 31 CA   #
#                         in monomer 1 and ASP 31 CA in monomer 2 #
#                         of an asymmetrical homodimer, duplex    #
#                         DNA assignments, or other assignments   #
#                         that may apply to atoms in one or more  #
#                         molecule in the molecular assembly)     #
#      9             Ambiguous, specific ambiguity not defined    #
#                                                                 #
###################################################################
save_chemical_shift_assignment_data_set_one
   _Assigned_chem_shift_list.Sf_category                   assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                 'chemical_shift_assignment_data_set_one'
   _Assigned_chem_shift_list.Entry_ID                      1639
   _Assigned_chem_shift_list.ID                            1
   _Assigned_chem_shift_list.Sample_condition_list_ID      1
   _Assigned_chem_shift_list.Sample_condition_list_label  $sample_condition_set_one
   _Assigned_chem_shift_list.Chem_shift_reference_ID       1
   _Assigned_chem_shift_list.Chem_shift_reference_label   $chem_shift_reference_par_set_one
   _Assigned_chem_shift_list.Chem_shift_1H_err             .
   _Assigned_chem_shift_list.Chem_shift_13C_err            .
   _Assigned_chem_shift_list.Chem_shift_15N_err            .
   _Assigned_chem_shift_list.Chem_shift_31P_err            .
   _Assigned_chem_shift_list.Chem_shift_2H_err             .
   _Assigned_chem_shift_list.Chem_shift_19F_err            .
   _Assigned_chem_shift_list.Error_derivation_method       .
   _Assigned_chem_shift_list.Details                       .
   _Assigned_chem_shift_list.Text_data_format              .
   _Assigned_chem_shift_list.Text_data                     .

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

      . . 1 $sample_one . 1639 1 

   stop_

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

        1 . 1 1  2  2 THR H    H 1  8.75 . . 1 . . . . . . . . 1639 1 
        2 . 1 1  2  2 THR HA   H 1  4.72 . . 1 . . . . . . . . 1639 1 
        3 . 1 1  2  2 THR HB   H 1  4.18 . . 1 . . . . . . . . 1639 1 
        4 . 1 1  2  2 THR HG21 H 1  1.33 . . 1 . . . . . . . . 1639 1 
        5 . 1 1  2  2 THR HG22 H 1  1.33 . . 1 . . . . . . . . 1639 1 
        6 . 1 1  2  2 THR HG23 H 1  1.33 . . 1 . . . . . . . . 1639 1 
        7 . 1 1  3  3 PRO HA   H 1  4.45 . . 1 . . . . . . . . 1639 1 
        8 . 1 1  3  3 PRO HB2  H 1  1.97 . . 2 . . . . . . . . 1639 1 
        9 . 1 1  3  3 PRO HB3  H 1  2.37 . . 2 . . . . . . . . 1639 1 
       10 . 1 1  3  3 PRO HG2  H 1  2.05 . . 1 . . . . . . . . 1639 1 
       11 . 1 1  3  3 PRO HG3  H 1  2.05 . . 1 . . . . . . . . 1639 1 
       12 . 1 1  3  3 PRO HD2  H 1  3.79 . . 2 . . . . . . . . 1639 1 
       13 . 1 1  3  3 PRO HD3  H 1  3.95 . . 2 . . . . . . . . 1639 1 
       14 . 1 1  4  4 ALA H    H 1  8.45 . . 1 . . . . . . . . 1639 1 
       15 . 1 1  4  4 ALA HA   H 1  4.41 . . 1 . . . . . . . . 1639 1 
       16 . 1 1  4  4 ALA HB1  H 1  1.11 . . 1 . . . . . . . . 1639 1 
       17 . 1 1  4  4 ALA HB2  H 1  1.11 . . 1 . . . . . . . . 1639 1 
       18 . 1 1  4  4 ALA HB3  H 1  1.11 . . 1 . . . . . . . . 1639 1 
       19 . 1 1  5  5 VAL H    H 1  7.97 . . 1 . . . . . . . . 1639 1 
       20 . 1 1  5  5 VAL HA   H 1  4.33 . . 1 . . . . . . . . 1639 1 
       21 . 1 1  5  5 VAL HB   H 1  1.91 . . 1 . . . . . . . . 1639 1 
       22 . 1 1  5  5 VAL HG11 H 1   .87 . . 1 . . . . . . . . 1639 1 
       23 . 1 1  5  5 VAL HG12 H 1   .87 . . 1 . . . . . . . . 1639 1 
       24 . 1 1  5  5 VAL HG13 H 1   .87 . . 1 . . . . . . . . 1639 1 
       25 . 1 1  5  5 VAL HG21 H 1   .87 . . 1 . . . . . . . . 1639 1 
       26 . 1 1  5  5 VAL HG22 H 1   .87 . . 1 . . . . . . . . 1639 1 
       27 . 1 1  5  5 VAL HG23 H 1   .87 . . 1 . . . . . . . . 1639 1 
       28 . 1 1  6  6 THR H    H 1  8.47 . . 1 . . . . . . . . 1639 1 
       29 . 1 1  6  6 THR HA   H 1  4.54 . . 1 . . . . . . . . 1639 1 
       30 . 1 1  6  6 THR HB   H 1  4.08 . . 1 . . . . . . . . 1639 1 
       31 . 1 1  6  6 THR HG21 H 1   .83 . . 1 . . . . . . . . 1639 1 
       32 . 1 1  6  6 THR HG22 H 1   .83 . . 1 . . . . . . . . 1639 1 
       33 . 1 1  6  6 THR HG23 H 1   .83 . . 1 . . . . . . . . 1639 1 
       34 . 1 1  7  7 THR H    H 1  8.24 . . 1 . . . . . . . . 1639 1 
       35 . 1 1  7  7 THR HA   H 1  4.85 . . 1 . . . . . . . . 1639 1 
       36 . 1 1  7  7 THR HB   H 1  3.99 . . 1 . . . . . . . . 1639 1 
       37 . 1 1  7  7 THR HG21 H 1  1.28 . . 1 . . . . . . . . 1639 1 
       38 . 1 1  7  7 THR HG22 H 1  1.28 . . 1 . . . . . . . . 1639 1 
       39 . 1 1  7  7 THR HG23 H 1  1.28 . . 1 . . . . . . . . 1639 1 
       40 . 1 1  8  8 TYR H    H 1  9.37 . . 1 . . . . . . . . 1639 1 
       41 . 1 1  8  8 TYR HA   H 1  5.38 . . 1 . . . . . . . . 1639 1 
       42 . 1 1  8  8 TYR HB2  H 1  3.42 . . 2 . . . . . . . . 1639 1 
       43 . 1 1  8  8 TYR HB3  H 1  2.95 . . 2 . . . . . . . . 1639 1 
       44 . 1 1  8  8 TYR HD1  H 1  7.28 . . 1 . . . . . . . . 1639 1 
       45 . 1 1  8  8 TYR HD2  H 1  7.28 . . 1 . . . . . . . . 1639 1 
       46 . 1 1  8  8 TYR HE1  H 1  7.13 . . 1 . . . . . . . . 1639 1 
       47 . 1 1  8  8 TYR HE2  H 1  7.13 . . 1 . . . . . . . . 1639 1 
       48 . 1 1  9  9 LYS H    H 1  9.15 . . 1 . . . . . . . . 1639 1 
       49 . 1 1  9  9 LYS HA   H 1  5.29 . . 1 . . . . . . . . 1639 1 
       50 . 1 1  9  9 LYS HB2  H 1  1.99 . . 2 . . . . . . . . 1639 1 
       51 . 1 1  9  9 LYS HB3  H 1  2.02 . . 2 . . . . . . . . 1639 1 
       52 . 1 1  9  9 LYS HG2  H 1  1.5  . . 2 . . . . . . . . 1639 1 
       53 . 1 1  9  9 LYS HG3  H 1  1.41 . . 2 . . . . . . . . 1639 1 
       54 . 1 1  9  9 LYS HD2  H 1  1.64 . . 1 . . . . . . . . 1639 1 
       55 . 1 1  9  9 LYS HD3  H 1  1.64 . . 1 . . . . . . . . 1639 1 
       56 . 1 1  9  9 LYS HE2  H 1  2.85 . . 2 . . . . . . . . 1639 1 
       57 . 1 1  9  9 LYS HE3  H 1  2.88 . . 2 . . . . . . . . 1639 1 
       58 . 1 1 10 10 LEU H    H 1  8.7  . . 1 . . . . . . . . 1639 1 
       59 . 1 1 10 10 LEU HA   H 1  5.05 . . 1 . . . . . . . . 1639 1 
       60 . 1 1 10 10 LEU HB2  H 1  1.19 . . 2 . . . . . . . . 1639 1 
       61 . 1 1 10 10 LEU HB3  H 1   .95 . . 2 . . . . . . . . 1639 1 
       62 . 1 1 10 10 LEU HG   H 1   .86 . . 1 . . . . . . . . 1639 1 
       63 . 1 1 10 10 LEU HD11 H 1   .44 . . 2 . . . . . . . . 1639 1 
       64 . 1 1 10 10 LEU HD12 H 1   .44 . . 2 . . . . . . . . 1639 1 
       65 . 1 1 10 10 LEU HD13 H 1   .44 . . 2 . . . . . . . . 1639 1 
       66 . 1 1 10 10 LEU HD21 H 1   .54 . . 2 . . . . . . . . 1639 1 
       67 . 1 1 10 10 LEU HD22 H 1   .54 . . 2 . . . . . . . . 1639 1 
       68 . 1 1 10 10 LEU HD23 H 1   .54 . . 2 . . . . . . . . 1639 1 
       69 . 1 1 11 11 VAL H    H 1  9.21 . . 1 . . . . . . . . 1639 1 
       70 . 1 1 11 11 VAL HA   H 1  4.31 . . 1 . . . . . . . . 1639 1 
       71 . 1 1 11 11 VAL HB   H 1  2    . . 1 . . . . . . . . 1639 1 
       72 . 1 1 11 11 VAL HG11 H 1   .88 . . 1 . . . . . . . . 1639 1 
       73 . 1 1 11 11 VAL HG12 H 1   .88 . . 1 . . . . . . . . 1639 1 
       74 . 1 1 11 11 VAL HG13 H 1   .88 . . 1 . . . . . . . . 1639 1 
       75 . 1 1 11 11 VAL HG21 H 1   .88 . . 1 . . . . . . . . 1639 1 
       76 . 1 1 11 11 VAL HG22 H 1   .88 . . 1 . . . . . . . . 1639 1 
       77 . 1 1 11 11 VAL HG23 H 1   .88 . . 1 . . . . . . . . 1639 1 
       78 . 1 1 12 12 ILE H    H 1  8.74 . . 1 . . . . . . . . 1639 1 
       79 . 1 1 12 12 ILE HA   H 1  4.3  . . 1 . . . . . . . . 1639 1 
       80 . 1 1 12 12 ILE HB   H 1  1.65 . . 1 . . . . . . . . 1639 1 
       81 . 1 1 12 12 ILE HG12 H 1  1.41 . . 1 . . . . . . . . 1639 1 
       82 . 1 1 12 12 ILE HG13 H 1  1.41 . . 1 . . . . . . . . 1639 1 
       83 . 1 1 12 12 ILE HG21 H 1   .76 . . 1 . . . . . . . . 1639 1 
       84 . 1 1 12 12 ILE HG22 H 1   .76 . . 1 . . . . . . . . 1639 1 
       85 . 1 1 12 12 ILE HG23 H 1   .76 . . 1 . . . . . . . . 1639 1 
       86 . 1 1 12 12 ILE HD11 H 1   .69 . . 1 . . . . . . . . 1639 1 
       87 . 1 1 12 12 ILE HD12 H 1   .69 . . 1 . . . . . . . . 1639 1 
       88 . 1 1 12 12 ILE HD13 H 1   .69 . . 1 . . . . . . . . 1639 1 
       89 . 1 1 13 13 ASN H    H 1  8.96 . . 1 . . . . . . . . 1639 1 
       90 . 1 1 13 13 ASN HA   H 1  5.23 . . 1 . . . . . . . . 1639 1 
       91 . 1 1 13 13 ASN HB2  H 1  2.6  . . 2 . . . . . . . . 1639 1 
       92 . 1 1 13 13 ASN HB3  H 1  2.95 . . 2 . . . . . . . . 1639 1 
       93 . 1 1 13 13 ASN HD21 H 1  7.21 . . 2 . . . . . . . . 1639 1 
       94 . 1 1 13 13 ASN HD22 H 1  6.85 . . 2 . . . . . . . . 1639 1 
       95 . 1 1 14 14 GLY H    H 1  7.88 . . 1 . . . . . . . . 1639 1 
       96 . 1 1 14 14 GLY HA2  H 1  4.11 . . 2 . . . . . . . . 1639 1 
       97 . 1 1 14 14 GLY HA3  H 1  4.35 . . 2 . . . . . . . . 1639 1 
       98 . 1 1 15 15 LYS H    H 1  8.85 . . 1 . . . . . . . . 1639 1 
       99 . 1 1 15 15 LYS HA   H 1  4.17 . . 1 . . . . . . . . 1639 1 
      100 . 1 1 15 15 LYS HB2  H 1  1.88 . . 1 . . . . . . . . 1639 1 
      101 . 1 1 15 15 LYS HB3  H 1  1.88 . . 1 . . . . . . . . 1639 1 
      102 . 1 1 15 15 LYS HG2  H 1  1.51 . . 1 . . . . . . . . 1639 1 
      103 . 1 1 15 15 LYS HG3  H 1  1.51 . . 1 . . . . . . . . 1639 1 
      104 . 1 1 15 15 LYS HD2  H 1  1.76 . . 1 . . . . . . . . 1639 1 
      105 . 1 1 15 15 LYS HD3  H 1  1.76 . . 1 . . . . . . . . 1639 1 
      106 . 1 1 15 15 LYS HE2  H 1  3.03 . . 1 . . . . . . . . 1639 1 
      107 . 1 1 15 15 LYS HE3  H 1  3.03 . . 1 . . . . . . . . 1639 1 
      108 . 1 1 16 16 THR H    H 1  8.65 . . 1 . . . . . . . . 1639 1 
      109 . 1 1 16 16 THR HA   H 1  4.41 . . 1 . . . . . . . . 1639 1 
      110 . 1 1 16 16 THR HB   H 1  4.22 . . 1 . . . . . . . . 1639 1 
      111 . 1 1 16 16 THR HG21 H 1  1.2  . . 1 . . . . . . . . 1639 1 
      112 . 1 1 16 16 THR HG22 H 1  1.2  . . 1 . . . . . . . . 1639 1 
      113 . 1 1 16 16 THR HG23 H 1  1.2  . . 1 . . . . . . . . 1639 1 
      114 . 1 1 17 17 LEU H    H 1  7.93 . . 1 . . . . . . . . 1639 1 
      115 . 1 1 17 17 LEU HA   H 1  4.32 . . 1 . . . . . . . . 1639 1 
      116 . 1 1 17 17 LEU HB2  H 1  1.71 . . 1 . . . . . . . . 1639 1 
      117 . 1 1 17 17 LEU HB3  H 1  1.71 . . 1 . . . . . . . . 1639 1 
      118 . 1 1 17 17 LEU HG   H 1  1.43 . . 1 . . . . . . . . 1639 1 
      119 . 1 1 17 17 LEU HD11 H 1   .86 . . 2 . . . . . . . . 1639 1 
      120 . 1 1 17 17 LEU HD12 H 1   .86 . . 2 . . . . . . . . 1639 1 
      121 . 1 1 17 17 LEU HD13 H 1   .86 . . 2 . . . . . . . . 1639 1 
      122 . 1 1 17 17 LEU HD21 H 1   .93 . . 2 . . . . . . . . 1639 1 
      123 . 1 1 17 17 LEU HD22 H 1   .93 . . 2 . . . . . . . . 1639 1 
      124 . 1 1 17 17 LEU HD23 H 1   .93 . . 2 . . . . . . . . 1639 1 
      125 . 1 1 18 18 LYS H    H 1  8.06 . . 1 . . . . . . . . 1639 1 
      126 . 1 1 18 18 LYS HA   H 1  4.85 . . 1 . . . . . . . . 1639 1 
      127 . 1 1 18 18 LYS HB2  H 1  1.79 . . 2 . . . . . . . . 1639 1 
      128 . 1 1 18 18 LYS HB3  H 1  1.86 . . 2 . . . . . . . . 1639 1 
      129 . 1 1 18 18 LYS HG2  H 1  1.53 . . 1 . . . . . . . . 1639 1 
      130 . 1 1 18 18 LYS HG3  H 1  1.53 . . 1 . . . . . . . . 1639 1 
      131 . 1 1 18 18 LYS HD2  H 1  1.79 . . 1 . . . . . . . . 1639 1 
      132 . 1 1 18 18 LYS HD3  H 1  1.79 . . 1 . . . . . . . . 1639 1 
      133 . 1 1 18 18 LYS HE2  H 1  3.04 . . 1 . . . . . . . . 1639 1 
      134 . 1 1 18 18 LYS HE3  H 1  3.04 . . 1 . . . . . . . . 1639 1 
      135 . 1 1 19 19 GLY H    H 1  8.3  . . 1 . . . . . . . . 1639 1 
      136 . 1 1 19 19 GLY HA2  H 1  4.21 . . 2 . . . . . . . . 1639 1 
      137 . 1 1 19 19 GLY HA3  H 1  4.26 . . 2 . . . . . . . . 1639 1 
      138 . 1 1 20 20 GLU H    H 1  8.4  . . 1 . . . . . . . . 1639 1 
      139 . 1 1 20 20 GLU HA   H 1  5.68 . . 1 . . . . . . . . 1639 1 
      140 . 1 1 20 20 GLU HB2  H 1  2.02 . . 2 . . . . . . . . 1639 1 
      141 . 1 1 20 20 GLU HB3  H 1  2.07 . . 2 . . . . . . . . 1639 1 
      142 . 1 1 20 20 GLU HG2  H 1  2.31 . . 2 . . . . . . . . 1639 1 
      143 . 1 1 20 20 GLU HG3  H 1  2.35 . . 2 . . . . . . . . 1639 1 
      144 . 1 1 21 21 THR H    H 1  8.81 . . 1 . . . . . . . . 1639 1 
      145 . 1 1 21 21 THR HA   H 1  4.78 . . 1 . . . . . . . . 1639 1 
      146 . 1 1 21 21 THR HB   H 1  4.02 . . 1 . . . . . . . . 1639 1 
      147 . 1 1 21 21 THR HG21 H 1   .63 . . 1 . . . . . . . . 1639 1 
      148 . 1 1 21 21 THR HG22 H 1   .63 . . 1 . . . . . . . . 1639 1 
      149 . 1 1 21 21 THR HG23 H 1   .63 . . 1 . . . . . . . . 1639 1 
      150 . 1 1 22 22 THR H    H 1  8.18 . . 1 . . . . . . . . 1639 1 
      151 . 1 1 22 22 THR HA   H 1  5.91 . . 1 . . . . . . . . 1639 1 
      152 . 1 1 22 22 THR HB   H 1  4.4  . . 1 . . . . . . . . 1639 1 
      153 . 1 1 22 22 THR HG21 H 1  1.25 . . 1 . . . . . . . . 1639 1 
      154 . 1 1 22 22 THR HG22 H 1  1.25 . . 1 . . . . . . . . 1639 1 
      155 . 1 1 22 22 THR HG23 H 1  1.25 . . 1 . . . . . . . . 1639 1 
      156 . 1 1 23 23 THR H    H 1  9.1  . . 1 . . . . . . . . 1639 1 
      157 . 1 1 23 23 THR HA   H 1  4.71 . . 1 . . . . . . . . 1639 1 
      158 . 1 1 23 23 THR HB   H 1  3.91 . . 1 . . . . . . . . 1639 1 
      159 . 1 1 23 23 THR HG21 H 1   .52 . . 1 . . . . . . . . 1639 1 
      160 . 1 1 23 23 THR HG22 H 1   .52 . . 1 . . . . . . . . 1639 1 
      161 . 1 1 23 23 THR HG23 H 1   .52 . . 1 . . . . . . . . 1639 1 
      162 . 1 1 24 24 GLU H    H 1  8.08 . . 1 . . . . . . . . 1639 1 
      163 . 1 1 24 24 GLU HA   H 1  5.5  . . 1 . . . . . . . . 1639 1 
      164 . 1 1 24 24 GLU HB2  H 1  1.79 . . 2 . . . . . . . . 1639 1 
      165 . 1 1 24 24 GLU HB3  H 1  2.05 . . 2 . . . . . . . . 1639 1 
      166 . 1 1 24 24 GLU HG2  H 1  2.35 . . 2 . . . . . . . . 1639 1 
      167 . 1 1 24 24 GLU HG3  H 1  2.41 . . 2 . . . . . . . . 1639 1 
      168 . 1 1 25 25 ALA H    H 1  9.39 . . 1 . . . . . . . . 1639 1 
      169 . 1 1 25 25 ALA HA   H 1  5.03 . . 1 . . . . . . . . 1639 1 
      170 . 1 1 25 25 ALA HB1  H 1  1.43 . . 1 . . . . . . . . 1639 1 
      171 . 1 1 25 25 ALA HB2  H 1  1.43 . . 1 . . . . . . . . 1639 1 
      172 . 1 1 25 25 ALA HB3  H 1  1.43 . . 1 . . . . . . . . 1639 1 
      173 . 1 1 26 26 VAL H    H 1  8.7  . . 1 . . . . . . . . 1639 1 
      174 . 1 1 26 26 VAL HA   H 1  4.43 . . 1 . . . . . . . . 1639 1 
      175 . 1 1 26 26 VAL HB   H 1  2.28 . . 1 . . . . . . . . 1639 1 
      176 . 1 1 26 26 VAL HG11 H 1  1.05 . . 1 . . . . . . . . 1639 1 
      177 . 1 1 26 26 VAL HG12 H 1  1.05 . . 1 . . . . . . . . 1639 1 
      178 . 1 1 26 26 VAL HG13 H 1  1.05 . . 1 . . . . . . . . 1639 1 
      179 . 1 1 26 26 VAL HG21 H 1  1.05 . . 1 . . . . . . . . 1639 1 
      180 . 1 1 26 26 VAL HG22 H 1  1.05 . . 1 . . . . . . . . 1639 1 
      181 . 1 1 26 26 VAL HG23 H 1  1.05 . . 1 . . . . . . . . 1639 1 
      182 . 1 1 27 27 ASP H    H 1  7.41 . . 1 . . . . . . . . 1639 1 
      183 . 1 1 27 27 ASP HA   H 1  4.82 . . 1 . . . . . . . . 1639 1 
      184 . 1 1 27 27 ASP HB2  H 1  3.08 . . 1 . . . . . . . . 1639 1 
      185 . 1 1 27 27 ASP HB3  H 1  3.08 . . 1 . . . . . . . . 1639 1 
      186 . 1 1 28 28 ALA H    H 1  8.45 . . 1 . . . . . . . . 1639 1 
      187 . 1 1 28 28 ALA HA   H 1  3.37 . . 1 . . . . . . . . 1639 1 
      188 . 1 1 28 28 ALA HB1  H 1  1.23 . . 1 . . . . . . . . 1639 1 
      189 . 1 1 28 28 ALA HB2  H 1  1.23 . . 1 . . . . . . . . 1639 1 
      190 . 1 1 28 28 ALA HB3  H 1  1.23 . . 1 . . . . . . . . 1639 1 
      191 . 1 1 29 29 ALA H    H 1  8.14 . . 1 . . . . . . . . 1639 1 
      192 . 1 1 29 29 ALA HA   H 1  4    . . 1 . . . . . . . . 1639 1 
      193 . 1 1 29 29 ALA HB1  H 1  1.35 . . 1 . . . . . . . . 1639 1 
      194 . 1 1 29 29 ALA HB2  H 1  1.35 . . 1 . . . . . . . . 1639 1 
      195 . 1 1 29 29 ALA HB3  H 1  1.35 . . 1 . . . . . . . . 1639 1 
      196 . 1 1 30 30 THR H    H 1  8.35 . . 1 . . . . . . . . 1639 1 
      197 . 1 1 30 30 THR HA   H 1  3.76 . . 1 . . . . . . . . 1639 1 
      198 . 1 1 30 30 THR HB   H 1  4.06 . . 1 . . . . . . . . 1639 1 
      199 . 1 1 30 30 THR HG21 H 1  1.28 . . 1 . . . . . . . . 1639 1 
      200 . 1 1 30 30 THR HG22 H 1  1.28 . . 1 . . . . . . . . 1639 1 
      201 . 1 1 30 30 THR HG23 H 1  1.28 . . 1 . . . . . . . . 1639 1 
      202 . 1 1 31 31 ALA H    H 1  7.19 . . 1 . . . . . . . . 1639 1 
      203 . 1 1 31 31 ALA HA   H 1  3.19 . . 1 . . . . . . . . 1639 1 
      204 . 1 1 31 31 ALA HB1  H 1   .61 . . 1 . . . . . . . . 1639 1 
      205 . 1 1 31 31 ALA HB2  H 1   .61 . . 1 . . . . . . . . 1639 1 
      206 . 1 1 31 31 ALA HB3  H 1   .61 . . 1 . . . . . . . . 1639 1 
      207 . 1 1 32 32 GLU H    H 1  8.44 . . 1 . . . . . . . . 1639 1 
      208 . 1 1 32 32 GLU HA   H 1  2.64 . . 1 . . . . . . . . 1639 1 
      209 . 1 1 32 32 GLU HB2  H 1  1.73 . . 2 . . . . . . . . 1639 1 
      210 . 1 1 32 32 GLU HB3  H 1  1.82 . . 2 . . . . . . . . 1639 1 
      211 . 1 1 32 32 GLU HG2  H 1  1.57 . . 2 . . . . . . . . 1639 1 
      212 . 1 1 32 32 GLU HG3  H 1  1.92 . . 2 . . . . . . . . 1639 1 
      213 . 1 1 33 33 LYS H    H 1  7.11 . . 1 . . . . . . . . 1639 1 
      214 . 1 1 33 33 LYS HA   H 1  3.82 . . 1 . . . . . . . . 1639 1 
      215 . 1 1 33 33 LYS HB2  H 1  1.88 . . 1 . . . . . . . . 1639 1 
      216 . 1 1 33 33 LYS HB3  H 1  1.88 . . 1 . . . . . . . . 1639 1 
      217 . 1 1 33 33 LYS HG2  H 1  1.36 . . 1 . . . . . . . . 1639 1 
      218 . 1 1 33 33 LYS HG3  H 1  1.36 . . 1 . . . . . . . . 1639 1 
      219 . 1 1 33 33 LYS HD2  H 1  1.57 . . 2 . . . . . . . . 1639 1 
      220 . 1 1 33 33 LYS HD3  H 1  1.65 . . 2 . . . . . . . . 1639 1 
      221 . 1 1 33 33 LYS HE2  H 1  2.94 . . 1 . . . . . . . . 1639 1 
      222 . 1 1 33 33 LYS HE3  H 1  2.94 . . 1 . . . . . . . . 1639 1 
      223 . 1 1 34 34 VAL H    H 1  7.36 . . 1 . . . . . . . . 1639 1 
      224 . 1 1 34 34 VAL HA   H 1  3.66 . . 1 . . . . . . . . 1639 1 
      225 . 1 1 34 34 VAL HB   H 1  1.83 . . 1 . . . . . . . . 1639 1 
      226 . 1 1 34 34 VAL HG11 H 1   .96 . . 2 . . . . . . . . 1639 1 
      227 . 1 1 34 34 VAL HG12 H 1   .96 . . 2 . . . . . . . . 1639 1 
      228 . 1 1 34 34 VAL HG13 H 1   .96 . . 2 . . . . . . . . 1639 1 
      229 . 1 1 34 34 VAL HG21 H 1   .85 . . 2 . . . . . . . . 1639 1 
      230 . 1 1 34 34 VAL HG22 H 1   .85 . . 2 . . . . . . . . 1639 1 
      231 . 1 1 34 34 VAL HG23 H 1   .85 . . 2 . . . . . . . . 1639 1 
      232 . 1 1 35 35 PHE H    H 1  8.52 . . 1 . . . . . . . . 1639 1 
      233 . 1 1 35 35 PHE HA   H 1  4.85 . . 1 . . . . . . . . 1639 1 
      234 . 1 1 35 35 PHE HB2  H 1  2.92 . . 2 . . . . . . . . 1639 1 
      235 . 1 1 35 35 PHE HB3  H 1  3.46 . . 2 . . . . . . . . 1639 1 
      236 . 1 1 35 35 PHE HD1  H 1  6.58 . . 1 . . . . . . . . 1639 1 
      237 . 1 1 35 35 PHE HD2  H 1  6.58 . . 1 . . . . . . . . 1639 1 
      238 . 1 1 35 35 PHE HE1  H 1  7.06 . . 1 . . . . . . . . 1639 1 
      239 . 1 1 35 35 PHE HE2  H 1  7.06 . . 1 . . . . . . . . 1639 1 
      240 . 1 1 35 35 PHE HZ   H 1  7.21 . . 1 . . . . . . . . 1639 1 
      241 . 1 1 36 36 LYS H    H 1  9.19 . . 1 . . . . . . . . 1639 1 
      242 . 1 1 36 36 LYS HA   H 1  4.18 . . 1 . . . . . . . . 1639 1 
      243 . 1 1 36 36 LYS HB2  H 1  1.72 . . 1 . . . . . . . . 1639 1 
      244 . 1 1 36 36 LYS HB3  H 1  1.72 . . 1 . . . . . . . . 1639 1 
      245 . 1 1 36 36 LYS HG2  H 1  1.6  . . 1 . . . . . . . . 1639 1 
      246 . 1 1 36 36 LYS HG3  H 1  1.6  . . 1 . . . . . . . . 1639 1 
      247 . 1 1 36 36 LYS HD2  H 1  1.75 . . 1 . . . . . . . . 1639 1 
      248 . 1 1 36 36 LYS HD3  H 1  1.75 . . 1 . . . . . . . . 1639 1 
      249 . 1 1 36 36 LYS HE2  H 1  3.05 . . 1 . . . . . . . . 1639 1 
      250 . 1 1 36 36 LYS HE3  H 1  3.05 . . 1 . . . . . . . . 1639 1 
      251 . 1 1 37 37 GLN H    H 1  7.57 . . 1 . . . . . . . . 1639 1 
      252 . 1 1 37 37 GLN HA   H 1  4.11 . . 1 . . . . . . . . 1639 1 
      253 . 1 1 37 37 GLN HB2  H 1  2.26 . . 2 . . . . . . . . 1639 1 
      254 . 1 1 37 37 GLN HB3  H 1  2.3  . . 2 . . . . . . . . 1639 1 
      255 . 1 1 37 37 GLN HG2  H 1  2.47 . . 2 . . . . . . . . 1639 1 
      256 . 1 1 37 37 GLN HG3  H 1  2.5  . . 2 . . . . . . . . 1639 1 
      257 . 1 1 37 37 GLN HE21 H 1  6.95 . . 2 . . . . . . . . 1639 1 
      258 . 1 1 37 37 GLN HE22 H 1  7.89 . . 2 . . . . . . . . 1639 1 
      259 . 1 1 38 38 TYR H    H 1  8.25 . . 1 . . . . . . . . 1639 1 
      260 . 1 1 38 38 TYR HA   H 1  4.33 . . 1 . . . . . . . . 1639 1 
      261 . 1 1 38 38 TYR HB2  H 1  3.37 . . 1 . . . . . . . . 1639 1 
      262 . 1 1 38 38 TYR HB3  H 1  3.37 . . 1 . . . . . . . . 1639 1 
      263 . 1 1 38 38 TYR HD1  H 1  7.01 . . 1 . . . . . . . . 1639 1 
      264 . 1 1 38 38 TYR HD2  H 1  7.01 . . 1 . . . . . . . . 1639 1 
      265 . 1 1 38 38 TYR HE1  H 1  6.73 . . 1 . . . . . . . . 1639 1 
      266 . 1 1 38 38 TYR HE2  H 1  6.73 . . 1 . . . . . . . . 1639 1 
      267 . 1 1 39 39 ALA H    H 1  9.24 . . 1 . . . . . . . . 1639 1 
      268 . 1 1 39 39 ALA HA   H 1  3.84 . . 1 . . . . . . . . 1639 1 
      269 . 1 1 39 39 ALA HB1  H 1  1.87 . . 1 . . . . . . . . 1639 1 
      270 . 1 1 39 39 ALA HB2  H 1  1.87 . . 1 . . . . . . . . 1639 1 
      271 . 1 1 39 39 ALA HB3  H 1  1.87 . . 1 . . . . . . . . 1639 1 
      272 . 1 1 40 40 ASN H    H 1  8.48 . . 1 . . . . . . . . 1639 1 
      273 . 1 1 40 40 ASN HA   H 1  4.53 . . 1 . . . . . . . . 1639 1 
      274 . 1 1 40 40 ASN HB2  H 1  2.98 . . 2 . . . . . . . . 1639 1 
      275 . 1 1 40 40 ASN HB3  H 1  3    . . 2 . . . . . . . . 1639 1 
      276 . 1 1 40 40 ASN HD21 H 1  7.14 . . 2 . . . . . . . . 1639 1 
      277 . 1 1 40 40 ASN HD22 H 1  7.79 . . 2 . . . . . . . . 1639 1 
      278 . 1 1 41 41 ASP H    H 1  8.83 . . 1 . . . . . . . . 1639 1 
      279 . 1 1 41 41 ASP HA   H 1  4.21 . . 1 . . . . . . . . 1639 1 
      280 . 1 1 41 41 ASP HB2  H 1  2.83 . . 2 . . . . . . . . 1639 1 
      281 . 1 1 41 41 ASP HB3  H 1  2.71 . . 2 . . . . . . . . 1639 1 
      282 . 1 1 42 42 ASN H    H 1  7.43 . . 1 . . . . . . . . 1639 1 
      283 . 1 1 42 42 ASN HA   H 1  4.72 . . 1 . . . . . . . . 1639 1 
      284 . 1 1 42 42 ASN HB2  H 1  2.11 . . 2 . . . . . . . . 1639 1 
      285 . 1 1 42 42 ASN HB3  H 1  2.77 . . 2 . . . . . . . . 1639 1 
      286 . 1 1 42 42 ASN HD21 H 1  6.56 . . 2 . . . . . . . . 1639 1 
      287 . 1 1 42 42 ASN HD22 H 1  6.75 . . 2 . . . . . . . . 1639 1 
      288 . 1 1 43 43 GLY H    H 1  7.78 . . 1 . . . . . . . . 1639 1 
      289 . 1 1 43 43 GLY HA2  H 1  3.98 . . 1 . . . . . . . . 1639 1 
      290 . 1 1 43 43 GLY HA3  H 1  3.98 . . 1 . . . . . . . . 1639 1 
      291 . 1 1 44 44 VAL H    H 1  8.24 . . 1 . . . . . . . . 1639 1 
      292 . 1 1 44 44 VAL HA   H 1  4.12 . . 1 . . . . . . . . 1639 1 
      293 . 1 1 44 44 VAL HB   H 1  1.88 . . 1 . . . . . . . . 1639 1 
      294 . 1 1 44 44 VAL HG11 H 1   .83 . . 2 . . . . . . . . 1639 1 
      295 . 1 1 44 44 VAL HG12 H 1   .83 . . 2 . . . . . . . . 1639 1 
      296 . 1 1 44 44 VAL HG13 H 1   .83 . . 2 . . . . . . . . 1639 1 
      297 . 1 1 44 44 VAL HG21 H 1   .73 . . 2 . . . . . . . . 1639 1 
      298 . 1 1 44 44 VAL HG22 H 1   .73 . . 2 . . . . . . . . 1639 1 
      299 . 1 1 44 44 VAL HG23 H 1   .73 . . 2 . . . . . . . . 1639 1 
      300 . 1 1 45 45 ASP H    H 1  8.57 . . 1 . . . . . . . . 1639 1 
      301 . 1 1 45 45 ASP HA   H 1  5    . . 1 . . . . . . . . 1639 1 
      302 . 1 1 45 45 ASP HB2  H 1  2.82 . . 2 . . . . . . . . 1639 1 
      303 . 1 1 45 45 ASP HB3  H 1  2.71 . . 2 . . . . . . . . 1639 1 
      304 . 1 1 46 46 GLY H    H 1  8.21 . . 1 . . . . . . . . 1639 1 
      305 . 1 1 46 46 GLY HA2  H 1  3.87 . . 2 . . . . . . . . 1639 1 
      306 . 1 1 46 46 GLY HA3  H 1  4.21 . . 2 . . . . . . . . 1639 1 
      307 . 1 1 47 47 GLU H    H 1  8.15 . . 1 . . . . . . . . 1639 1 
      308 . 1 1 47 47 GLU HA   H 1  4.84 . . 1 . . . . . . . . 1639 1 
      309 . 1 1 47 47 GLU HB2  H 1  2.05 . . 2 . . . . . . . . 1639 1 
      310 . 1 1 47 47 GLU HB3  H 1  2.16 . . 2 . . . . . . . . 1639 1 
      311 . 1 1 47 47 GLU HG2  H 1  2.41 . . 2 . . . . . . . . 1639 1 
      312 . 1 1 47 47 GLU HG3  H 1  2.48 . . 2 . . . . . . . . 1639 1 
      313 . 1 1 48 48 TRP H    H 1  9.39 . . 1 . . . . . . . . 1639 1 
      314 . 1 1 48 48 TRP HA   H 1  5.37 . . 1 . . . . . . . . 1639 1 
      315 . 1 1 48 48 TRP HB2  H 1  3.22 . . 2 . . . . . . . . 1639 1 
      316 . 1 1 48 48 TRP HB3  H 1  3.34 . . 2 . . . . . . . . 1639 1 
      317 . 1 1 48 48 TRP HD1  H 1  7.6  . . 1 . . . . . . . . 1639 1 
      318 . 1 1 48 48 TRP HE1  H 1 10.55 . . 1 . . . . . . . . 1639 1 
      319 . 1 1 48 48 TRP HE3  H 1  7.6  . . 1 . . . . . . . . 1639 1 
      320 . 1 1 48 48 TRP HZ2  H 1  7.33 . . 1 . . . . . . . . 1639 1 
      321 . 1 1 48 48 TRP HZ3  H 1  6.65 . . 1 . . . . . . . . 1639 1 
      322 . 1 1 48 48 TRP HH2  H 1  6.77 . . 1 . . . . . . . . 1639 1 
      323 . 1 1 49 49 THR H    H 1  9.33 . . 1 . . . . . . . . 1639 1 
      324 . 1 1 49 49 THR HA   H 1  4.88 . . 1 . . . . . . . . 1639 1 
      325 . 1 1 49 49 THR HB   H 1  4.31 . . 1 . . . . . . . . 1639 1 
      326 . 1 1 49 49 THR HG21 H 1  1.26 . . 1 . . . . . . . . 1639 1 
      327 . 1 1 49 49 THR HG22 H 1  1.26 . . 1 . . . . . . . . 1639 1 
      328 . 1 1 49 49 THR HG23 H 1  1.26 . . 1 . . . . . . . . 1639 1 
      329 . 1 1 50 50 TYR H    H 1  8.66 . . 1 . . . . . . . . 1639 1 
      330 . 1 1 50 50 TYR HA   H 1  5.05 . . 1 . . . . . . . . 1639 1 
      331 . 1 1 50 50 TYR HB2  H 1  2.6  . . 2 . . . . . . . . 1639 1 
      332 . 1 1 50 50 TYR HB3  H 1  2.93 . . 2 . . . . . . . . 1639 1 
      333 . 1 1 50 50 TYR HD1  H 1  6.05 . . 1 . . . . . . . . 1639 1 
      334 . 1 1 50 50 TYR HD2  H 1  6.05 . . 1 . . . . . . . . 1639 1 
      335 . 1 1 50 50 TYR HE1  H 1  6.47 . . 1 . . . . . . . . 1639 1 
      336 . 1 1 50 50 TYR HE2  H 1  6.47 . . 1 . . . . . . . . 1639 1 
      337 . 1 1 51 51 ASP H    H 1  7.61 . . 1 . . . . . . . . 1639 1 
      338 . 1 1 51 51 ASP HA   H 1  4.64 . . 1 . . . . . . . . 1639 1 
      339 . 1 1 51 51 ASP HB2  H 1  2.69 . . 2 . . . . . . . . 1639 1 
      340 . 1 1 51 51 ASP HB3  H 1  2.34 . . 2 . . . . . . . . 1639 1 
      341 . 1 1 52 52 ASP H    H 1  8.62 . . 1 . . . . . . . . 1639 1 
      342 . 1 1 52 52 ASP HA   H 1  4.17 . . 1 . . . . . . . . 1639 1 
      343 . 1 1 52 52 ASP HB2  H 1  2.6  . . 2 . . . . . . . . 1639 1 
      344 . 1 1 52 52 ASP HB3  H 1  2.88 . . 2 . . . . . . . . 1639 1 
      345 . 1 1 53 53 ALA H    H 1  8.34 . . 1 . . . . . . . . 1639 1 
      346 . 1 1 53 53 ALA HA   H 1  4.17 . . 1 . . . . . . . . 1639 1 
      347 . 1 1 53 53 ALA HB1  H 1  1.55 . . 1 . . . . . . . . 1639 1 
      348 . 1 1 53 53 ALA HB2  H 1  1.55 . . 1 . . . . . . . . 1639 1 
      349 . 1 1 53 53 ALA HB3  H 1  1.55 . . 1 . . . . . . . . 1639 1 
      350 . 1 1 54 54 THR H    H 1  7.02 . . 1 . . . . . . . . 1639 1 
      351 . 1 1 54 54 THR HA   H 1  4.43 . . 1 . . . . . . . . 1639 1 
      352 . 1 1 54 54 THR HB   H 1  4.43 . . 1 . . . . . . . . 1639 1 
      353 . 1 1 54 54 THR HG21 H 1  1.04 . . 1 . . . . . . . . 1639 1 
      354 . 1 1 54 54 THR HG22 H 1  1.04 . . 1 . . . . . . . . 1639 1 
      355 . 1 1 54 54 THR HG23 H 1  1.04 . . 1 . . . . . . . . 1639 1 
      356 . 1 1 55 55 LYS H    H 1  7.88 . . 1 . . . . . . . . 1639 1 
      357 . 1 1 55 55 LYS HA   H 1  4.24 . . 1 . . . . . . . . 1639 1 
      358 . 1 1 55 55 LYS HB2  H 1  2.08 . . 1 . . . . . . . . 1639 1 
      359 . 1 1 55 55 LYS HB3  H 1  2.08 . . 1 . . . . . . . . 1639 1 
      360 . 1 1 55 55 LYS HG2  H 1  1.91 . . 1 . . . . . . . . 1639 1 
      361 . 1 1 55 55 LYS HG3  H 1  1.91 . . 1 . . . . . . . . 1639 1 
      362 . 1 1 56 56 THR H    H 1  7.42 . . 1 . . . . . . . . 1639 1 
      363 . 1 1 56 56 THR HA   H 1  5.5  . . 1 . . . . . . . . 1639 1 
      364 . 1 1 56 56 THR HB   H 1  3.79 . . 1 . . . . . . . . 1639 1 
      365 . 1 1 56 56 THR HG21 H 1  1.01 . . 1 . . . . . . . . 1639 1 
      366 . 1 1 56 56 THR HG22 H 1  1.01 . . 1 . . . . . . . . 1639 1 
      367 . 1 1 56 56 THR HG23 H 1  1.01 . . 1 . . . . . . . . 1639 1 
      368 . 1 1 57 57 PHE H    H 1 10.45 . . 1 . . . . . . . . 1639 1 
      369 . 1 1 57 57 PHE HA   H 1  5.69 . . 1 . . . . . . . . 1639 1 
      370 . 1 1 57 57 PHE HB2  H 1  3.23 . . 2 . . . . . . . . 1639 1 
      371 . 1 1 57 57 PHE HB3  H 1  3.34 . . 2 . . . . . . . . 1639 1 
      372 . 1 1 57 57 PHE HD1  H 1  7.74 . . 1 . . . . . . . . 1639 1 
      373 . 1 1 57 57 PHE HD2  H 1  7.74 . . 1 . . . . . . . . 1639 1 
      374 . 1 1 57 57 PHE HE1  H 1  7.11 . . 1 . . . . . . . . 1639 1 
      375 . 1 1 57 57 PHE HE2  H 1  7.11 . . 1 . . . . . . . . 1639 1 
      376 . 1 1 57 57 PHE HZ   H 1  6.96 . . 1 . . . . . . . . 1639 1 
      377 . 1 1 58 58 THR H    H 1  9.19 . . 1 . . . . . . . . 1639 1 
      378 . 1 1 58 58 THR HA   H 1  5.31 . . 1 . . . . . . . . 1639 1 
      379 . 1 1 58 58 THR HB   H 1  3.85 . . 1 . . . . . . . . 1639 1 
      380 . 1 1 58 58 THR HG21 H 1   .98 . . 1 . . . . . . . . 1639 1 
      381 . 1 1 58 58 THR HG22 H 1   .98 . . 1 . . . . . . . . 1639 1 
      382 . 1 1 58 58 THR HG23 H 1   .98 . . 1 . . . . . . . . 1639 1 
      383 . 1 1 59 59 VAL H    H 1  8.54 . . 1 . . . . . . . . 1639 1 
      384 . 1 1 59 59 VAL HA   H 1  4.55 . . 1 . . . . . . . . 1639 1 
      385 . 1 1 59 59 VAL HB   H 1   .05 . . 1 . . . . . . . . 1639 1 
      386 . 1 1 59 59 VAL HG11 H 1   .36 . . 2 . . . . . . . . 1639 1 
      387 . 1 1 59 59 VAL HG12 H 1   .36 . . 2 . . . . . . . . 1639 1 
      388 . 1 1 59 59 VAL HG13 H 1   .36 . . 2 . . . . . . . . 1639 1 
      389 . 1 1 59 59 VAL HG21 H 1   .42 . . 2 . . . . . . . . 1639 1 
      390 . 1 1 59 59 VAL HG22 H 1   .42 . . 2 . . . . . . . . 1639 1 
      391 . 1 1 59 59 VAL HG23 H 1   .42 . . 2 . . . . . . . . 1639 1 
      392 . 1 1 60 60 THR H    H 1  8.48 . . 1 . . . . . . . . 1639 1 
      393 . 1 1 60 60 THR HA   H 1  4.77 . . 1 . . . . . . . . 1639 1 
      394 . 1 1 60 60 THR HB   H 1  3.93 . . 1 . . . . . . . . 1639 1 
      395 . 1 1 60 60 THR HG21 H 1  1.24 . . 1 . . . . . . . . 1639 1 
      396 . 1 1 60 60 THR HG22 H 1  1.24 . . 1 . . . . . . . . 1639 1 
      397 . 1 1 60 60 THR HG23 H 1  1.24 . . 1 . . . . . . . . 1639 1 
      398 . 1 1 61 61 GLU H    H 1  8.29 . . 1 . . . . . . . . 1639 1 
      399 . 1 1 61 61 GLU HA   H 1  4.54 . . 1 . . . . . . . . 1639 1 
      400 . 1 1 61 61 GLU HB2  H 1  2.09 . . 2 . . . . . . . . 1639 1 
      401 . 1 1 61 61 GLU HB3  H 1  2.21 . . 2 . . . . . . . . 1639 1 
      402 . 1 1 61 61 GLU HG2  H 1  2.4  . . 2 . . . . . . . . 1639 1 
      403 . 1 1 61 61 GLU HG3  H 1  2.48 . . 2 . . . . . . . . 1639 1 
      404 . 1 1 62 62 LYS H    H 1  8.73 . . 1 . . . . . . . . 1639 1 
      405 . 1 1 62 62 LYS HA   H 1  4.63 . . 1 . . . . . . . . 1639 1 
      406 . 1 1 62 62 LYS HB2  H 1  1.89 . . 2 . . . . . . . . 1639 1 
      407 . 1 1 62 62 LYS HB3  H 1  1.9  . . 2 . . . . . . . . 1639 1 
      408 . 1 1 62 62 LYS HG2  H 1  1.57 . . 1 . . . . . . . . 1639 1 
      409 . 1 1 62 62 LYS HG3  H 1  1.57 . . 1 . . . . . . . . 1639 1 
      410 . 1 1 62 62 LYS HD2  H 1  1.76 . . 1 . . . . . . . . 1639 1 
      411 . 1 1 62 62 LYS HD3  H 1  1.76 . . 1 . . . . . . . . 1639 1 
      412 . 1 1 62 62 LYS HE2  H 1  3.04 . . 1 . . . . . . . . 1639 1 
      413 . 1 1 62 62 LYS HE3  H 1  3.04 . . 1 . . . . . . . . 1639 1 
      414 . 1 1 63 63 PRO HA   H 1  4.46 . . 1 . . . . . . . . 1639 1 
      415 . 1 1 63 63 PRO HB2  H 1  2    . . 2 . . . . . . . . 1639 1 
      416 . 1 1 63 63 PRO HB3  H 1  2.32 . . 2 . . . . . . . . 1639 1 
      417 . 1 1 63 63 PRO HG2  H 1  2.11 . . 1 . . . . . . . . 1639 1 
      418 . 1 1 63 63 PRO HG3  H 1  2.11 . . 1 . . . . . . . . 1639 1 
      419 . 1 1 63 63 PRO HD2  H 1  3.75 . . 2 . . . . . . . . 1639 1 
      420 . 1 1 63 63 PRO HD3  H 1  3.95 . . 2 . . . . . . . . 1639 1 
      421 . 1 1 64 64 GLU H    H 1  7.99 . . 1 . . . . . . . . 1639 1 
      422 . 1 1 64 64 GLU HA   H 1  4.22 . . 1 . . . . . . . . 1639 1 
      423 . 1 1 64 64 GLU HB2  H 1  1.96 . . 2 . . . . . . . . 1639 1 
      424 . 1 1 64 64 GLU HB3  H 1  2.14 . . 2 . . . . . . . . 1639 1 
      425 . 1 1 64 64 GLU HG2  H 1  2.38 . . 2 . . . . . . . . 1639 1 
      426 . 1 1 64 64 GLU HG3  H 1  2.41 . . 2 . . . . . . . . 1639 1 

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