data_6921

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


save_entry_information
  _Entry.Sf_category                   entry_information
  _Entry.Sf_framecode                  entry_information
  _Entry.ID                            6921
  _Entry.Title                         
;
Backbone and side chain chemical shift assignments for hydrophilic domain of human cytochrome b5
;
  _Entry.Type                          macromolecule
  _Entry.Version_type                  original
  _Entry.Submission_date               2005-12-09
  _Entry.Accession_date                2005-12-09
  _Entry.Last_release_date             2009-05-27
  _Entry.Original_release_date         2009-05-27
  _Entry.Origination                   author
  _Entry.NMR_STAR_version              3.1.1.61
  _Entry.Original_NMR_STAR_version     .
  _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    Marcela    Nunez             .   .   .   6921    
    2    Gilles     Truan             .   .   .   6921    
    3    Carine     'Van Heijennort'  .   .   .   6921    
  stop_

  loop_
    _Entry_src.ID
    _Entry_src.Project_name
    _Entry_src.Organization_full_name
    _Entry_src.Organization_initials
    _Entry_src.Entry_ID

    .   .   CNRS    .   6921    
  stop_

  loop_
    _Data_set.Type
    _Data_set.Count
    _Data_set.Entry_ID

    assigned_chemical_shifts    1    6921    
  stop_

  loop_
    _Datum.Type
    _Datum.Count
    _Datum.Entry_ID

    '13C chemical shifts'  461    6921    
    '15N chemical shifts'  103    6921    
    '1H chemical shifts'   703    6921    
  stop_

  loop_
    _Release.Release_number
    _Release.Format_type
    _Release.Format_version
    _Release.Date
    _Release.Submission_date
    _Release.Type
    _Release.Author
    _Release.Detail
    _Release.Entry_ID

    1    .   .   2009-05-27    2005-12-09    original    author    .   6921    
  stop_

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

    BMRB    1324    'proton assignement of the backbone'  6921    
    BMRB    295     'proton assignment of cyt b5'         6921    
    PDB     2I96    'BMRB Entry Tracking System'          6921    
  stop_

save_

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


save_entry_citation
  _Citation.Sf_category                 citations
  _Citation.Sf_framecode                entry_citation
  _Citation.Entry_ID                    6921
  _Citation.ID                          1
  _Citation.Class                       'entry citation'
  _Citation.CAS_abstract_code           .
  _Citation.MEDLINE_UI_code             .
  _Citation.DOI                         .
  _Citation.PubMed_ID                   .
  _Citation.Full_citation               .
  _Citation.Title                       '1H, 13C and 15N backbone resonances assignment of the hydrophilic domain of human cytochrome b5'
  _Citation.Status                      'in preparation'
  _Citation.Type                        journal
  _Citation.Journal_abbrev              'J. Biomol. NMR'
  _Citation.Journal_name_full           .
  _Citation.Journal_volume              .
  _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                  .
  _Citation.Page_last                   .
  _Citation.Year                        .
  _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    Marcela    Nunez             .   .   .   6921    1    
    2    Gilles     Truan             .   .   .   6921    1    
    3    Carine     'Van Heijennort'  .   .   .   6921    1    
  stop_

save_

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


save_assembly
  _Assembly.Sf_category                      assembly
  _Assembly.Sf_framecode                     assembly
  _Assembly.Entry_ID                         6921
  _Assembly.ID                               1
  _Assembly.Name                             'human cytochrome b5 with oxydized heme'
  _Assembly.BMRB_code                        .
  _Assembly.Number_of_components             2
  _Assembly.Organic_ligands                  1
  _Assembly.Metal_ions                       1
  _Assembly.Non_standard_bonds               .
  _Assembly.Ambiguous_conformational_states  no
  _Assembly.Ambiguous_chem_comp_sites        no
  _Assembly.Molecules_in_chemical_exchange   no
  _Assembly.Paramagnetic                     yes
  _Assembly.Thiol_state                      'not present'
  _Assembly.Molecular_mass                   15043
  _Assembly.Enzyme_commission_number         .
  _Assembly.Details                          'hydrophilic human cytochrome b5 domain protoporphyrin IX containing FE'
  _Assembly.DB_query_date                    .
  _Assembly.DB_query_revised_last_date       .

  loop_
    _Assembly_type.Type
    _Assembly_type.Entry_ID
    _Assembly_type.Assembly_ID

    'protein-ligand system'  6921    1    
  stop_

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

    1    'hydrophilic domain'         1    $Cytochrome_b5   .   .   yes    native    yes    no    .   'catalytic unit'  .   6921    1    
    2    'protoporphyrin IX with FE'  2    $HEM             .   .   no     native    no     no    .   catalytic         .   6921    1    
  stop_

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

    1    'coordination Nitrogen-FE'  single    .   1    .   1    HIS    43    43    NE2    .   2    .   2    HEM    1    1    FE    .   .   .   .   .   .   .   .   .   .   6921    1    
    2    'coordination Nitrogen-FE'  single    .   1    .   1    HIS    67    67    NE2    .   2    .   2    HEM    1    1    FE    .   .   .   .   .   .   .   .   .   .   6921    1    
  stop_

  loop_
    _Entity_deleted_atom.ID
    _Entity_deleted_atom.Entity_atom_list_ID
    _Entity_deleted_atom.Entity_assembly_ID
    _Entity_deleted_atom.Entity_ID
    _Entity_deleted_atom.Comp_ID
    _Entity_deleted_atom.Comp_index_ID
    _Entity_deleted_atom.Seq_ID
    _Entity_deleted_atom.Atom_ID
    _Entity_deleted_atom.Auth_entity_assembly_ID
    _Entity_deleted_atom.Auth_seq_ID
    _Entity_deleted_atom.Auth_comp_ID
    _Entity_deleted_atom.Auth_atom_ID
    _Entity_deleted_atom.Entry_ID
    _Entity_deleted_atom.Assembly_ID

    1    .   1    1    HIS    43   43     HE2    .   .   .   .   6921    1    
    2    .   1    1    HIS    67   67     HE2    .   .   .   .   6921    1    
  stop_

  loop_
    _Assembly_interaction.ID
    _Assembly_interaction.Entity_assembly_ID_1
    _Assembly_interaction.Entity_assembly_ID_2
    _Assembly_interaction.Mol_interaction_type
    _Assembly_interaction.Entry_ID
    _Assembly_interaction.Assembly_ID

    1    1    2    'Extremely slow exchange'  6921    1    
  stop_

  loop_
    _Assembly_bio_function.Biological_function
    _Assembly_bio_function.Entry_ID
    _Assembly_bio_function.Assembly_ID

    'electron carrier protein'  6921    1    
  stop_

  loop_
    _Assembly_keyword.Keyword
    _Assembly_keyword.Entry_ID
    _Assembly_keyword.Assembly_ID

    'heme-cytochrome b5'  6921    1    
  stop_

save_

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


save_Cytochrome_b5
  _Entity.Sf_category                      entity
  _Entity.Sf_framecode                     Cytochrome_b5
  _Entity.Entry_ID                         6921
  _Entity.ID                               1
  _Entity.BMRB_code                        .
  _Entity.Name                             cytb5
  _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      
;
AEQSDEAVKYYTLEEIQKHN
HSKSTWLILHHKVYDLTKFL
EEHPGGEEVLREQAGGDATE
NFEDVGHSTDAREMSKTFII
GELHPDDRPKLNKPPETLIT
TIDSSSS
;

  _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               107
  _Entity.Number_of_nonpolymer_components  .
  _Entity.Paramagnetic                     yes
  _Entity.Thiol_state                      'not present'
  _Entity.Src_method                       .
  _Entity.Parent_entity_ID                 1
  _Entity.Fragment                         .
  _Entity.Mutation                         .
  _Entity.EC_number                        .
  _Entity.Calc_isoelectric_point           .
  _Entity.Formula_weight                   12950
  _Entity.Formula_weight_exptl             .
  _Entity.Formula_weight_exptl_meth        .
  _Entity.Details                          'MW with heme'
  _Entity.DB_query_date                    .
  _Entity.DB_query_revised_last_date       .

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

    'Cytochrome b5'  .   6921    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      .   ALA    .   6921    1    
    2      .   GLU    .   6921    1    
    3      .   GLN    .   6921    1    
    4      .   SER    .   6921    1    
    5      .   ASP    .   6921    1    
    6      .   GLU    .   6921    1    
    7      .   ALA    .   6921    1    
    8      .   VAL    .   6921    1    
    9      .   LYS    .   6921    1    
    10     .   TYR    .   6921    1    
    11     .   TYR    .   6921    1    
    12     .   THR    .   6921    1    
    13     .   LEU    .   6921    1    
    14     .   GLU    .   6921    1    
    15     .   GLU    .   6921    1    
    16     .   ILE    .   6921    1    
    17     .   GLN    .   6921    1    
    18     .   LYS    .   6921    1    
    19     .   HIS    .   6921    1    
    20     .   ASN    .   6921    1    
    21     .   HIS    .   6921    1    
    22     .   SER    .   6921    1    
    23     .   LYS    .   6921    1    
    24     .   SER    .   6921    1    
    25     .   THR    .   6921    1    
    26     .   TRP    .   6921    1    
    27     .   LEU    .   6921    1    
    28     .   ILE    .   6921    1    
    29     .   LEU    .   6921    1    
    30     .   HIS    .   6921    1    
    31     .   HIS    .   6921    1    
    32     .   LYS    .   6921    1    
    33     .   VAL    .   6921    1    
    34     .   TYR    .   6921    1    
    35     .   ASP    .   6921    1    
    36     .   LEU    .   6921    1    
    37     .   THR    .   6921    1    
    38     .   LYS    .   6921    1    
    39     .   PHE    .   6921    1    
    40     .   LEU    .   6921    1    
    41     .   GLU    .   6921    1    
    42     .   GLU    .   6921    1    
    43     .   HIS    .   6921    1    
    44     .   PRO    .   6921    1    
    45     .   GLY    .   6921    1    
    46     .   GLY    .   6921    1    
    47     .   GLU    .   6921    1    
    48     .   GLU    .   6921    1    
    49     .   VAL    .   6921    1    
    50     .   LEU    .   6921    1    
    51     .   ARG    .   6921    1    
    52     .   GLU    .   6921    1    
    53     .   GLN    .   6921    1    
    54     .   ALA    .   6921    1    
    55     .   GLY    .   6921    1    
    56     .   GLY    .   6921    1    
    57     .   ASP    .   6921    1    
    58     .   ALA    .   6921    1    
    59     .   THR    .   6921    1    
    60     .   GLU    .   6921    1    
    61     .   ASN    .   6921    1    
    62     .   PHE    .   6921    1    
    63     .   GLU    .   6921    1    
    64     .   ASP    .   6921    1    
    65     .   VAL    .   6921    1    
    66     .   GLY    .   6921    1    
    67     .   HIS    .   6921    1    
    68     .   SER    .   6921    1    
    69     .   THR    .   6921    1    
    70     .   ASP    .   6921    1    
    71     .   ALA    .   6921    1    
    72     .   ARG    .   6921    1    
    73     .   GLU    .   6921    1    
    74     .   MET    .   6921    1    
    75     .   SER    .   6921    1    
    76     .   LYS    .   6921    1    
    77     .   THR    .   6921    1    
    78     .   PHE    .   6921    1    
    79     .   ILE    .   6921    1    
    80     .   ILE    .   6921    1    
    81     .   GLY    .   6921    1    
    82     .   GLU    .   6921    1    
    83     .   LEU    .   6921    1    
    84     .   HIS    .   6921    1    
    85     .   PRO    .   6921    1    
    86     .   ASP    .   6921    1    
    87     .   ASP    .   6921    1    
    88     .   ARG    .   6921    1    
    89     .   PRO    .   6921    1    
    90     .   LYS    .   6921    1    
    91     .   LEU    .   6921    1    
    92     .   ASN    .   6921    1    
    93     .   LYS    .   6921    1    
    94     .   PRO    .   6921    1    
    95     .   PRO    .   6921    1    
    96     .   GLU    .   6921    1    
    97     .   THR    .   6921    1    
    98     .   LEU    .   6921    1    
    99     .   ILE    .   6921    1    
    100    .   THR    .   6921    1    
    101    .   THR    .   6921    1    
    102    .   ILE    .   6921    1    
    103    .   ASP    .   6921    1    
    104    .   SER    .   6921    1    
    105    .   SER    .   6921    1    
    106    .   SER    .   6921    1    
    107    .   SER    .   6921    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

    .   ALA    1      1      6921    1    
    .   GLU    2      2      6921    1    
    .   GLN    3      3      6921    1    
    .   SER    4      4      6921    1    
    .   ASP    5      5      6921    1    
    .   GLU    6      6      6921    1    
    .   ALA    7      7      6921    1    
    .   VAL    8      8      6921    1    
    .   LYS    9      9      6921    1    
    .   TYR    10     10     6921    1    
    .   TYR    11     11     6921    1    
    .   THR    12     12     6921    1    
    .   LEU    13     13     6921    1    
    .   GLU    14     14     6921    1    
    .   GLU    15     15     6921    1    
    .   ILE    16     16     6921    1    
    .   GLN    17     17     6921    1    
    .   LYS    18     18     6921    1    
    .   HIS    19     19     6921    1    
    .   ASN    20     20     6921    1    
    .   HIS    21     21     6921    1    
    .   SER    22     22     6921    1    
    .   LYS    23     23     6921    1    
    .   SER    24     24     6921    1    
    .   THR    25     25     6921    1    
    .   TRP    26     26     6921    1    
    .   LEU    27     27     6921    1    
    .   ILE    28     28     6921    1    
    .   LEU    29     29     6921    1    
    .   HIS    30     30     6921    1    
    .   HIS    31     31     6921    1    
    .   LYS    32     32     6921    1    
    .   VAL    33     33     6921    1    
    .   TYR    34     34     6921    1    
    .   ASP    35     35     6921    1    
    .   LEU    36     36     6921    1    
    .   THR    37     37     6921    1    
    .   LYS    38     38     6921    1    
    .   PHE    39     39     6921    1    
    .   LEU    40     40     6921    1    
    .   GLU    41     41     6921    1    
    .   GLU    42     42     6921    1    
    .   HIS    43     43     6921    1    
    .   PRO    44     44     6921    1    
    .   GLY    45     45     6921    1    
    .   GLY    46     46     6921    1    
    .   GLU    47     47     6921    1    
    .   GLU    48     48     6921    1    
    .   VAL    49     49     6921    1    
    .   LEU    50     50     6921    1    
    .   ARG    51     51     6921    1    
    .   GLU    52     52     6921    1    
    .   GLN    53     53     6921    1    
    .   ALA    54     54     6921    1    
    .   GLY    55     55     6921    1    
    .   GLY    56     56     6921    1    
    .   ASP    57     57     6921    1    
    .   ALA    58     58     6921    1    
    .   THR    59     59     6921    1    
    .   GLU    60     60     6921    1    
    .   ASN    61     61     6921    1    
    .   PHE    62     62     6921    1    
    .   GLU    63     63     6921    1    
    .   ASP    64     64     6921    1    
    .   VAL    65     65     6921    1    
    .   GLY    66     66     6921    1    
    .   HIS    67     67     6921    1    
    .   SER    68     68     6921    1    
    .   THR    69     69     6921    1    
    .   ASP    70     70     6921    1    
    .   ALA    71     71     6921    1    
    .   ARG    72     72     6921    1    
    .   GLU    73     73     6921    1    
    .   MET    74     74     6921    1    
    .   SER    75     75     6921    1    
    .   LYS    76     76     6921    1    
    .   THR    77     77     6921    1    
    .   PHE    78     78     6921    1    
    .   ILE    79     79     6921    1    
    .   ILE    80     80     6921    1    
    .   GLY    81     81     6921    1    
    .   GLU    82     82     6921    1    
    .   LEU    83     83     6921    1    
    .   HIS    84     84     6921    1    
    .   PRO    85     85     6921    1    
    .   ASP    86     86     6921    1    
    .   ASP    87     87     6921    1    
    .   ARG    88     88     6921    1    
    .   PRO    89     89     6921    1    
    .   LYS    90     90     6921    1    
    .   LEU    91     91     6921    1    
    .   ASN    92     92     6921    1    
    .   LYS    93     93     6921    1    
    .   PRO    94     94     6921    1    
    .   PRO    95     95     6921    1    
    .   GLU    96     96     6921    1    
    .   THR    97     97     6921    1    
    .   LEU    98     98     6921    1    
    .   ILE    99     99     6921    1    
    .   THR    100    100    6921    1    
    .   THR    101    101    6921    1    
    .   ILE    102    102    6921    1    
    .   ASP    103    103    6921    1    
    .   SER    104    104    6921    1    
    .   SER    105    105    6921    1    
    .   SER    106    106    6921    1    
    .   SER    107    107    6921    1    
  stop_

save_

save_HEM
  _Entity.Sf_category                      entity
  _Entity.Sf_framecode                     HEM
  _Entity.Entry_ID                         6921
  _Entity.ID                               2
  _Entity.BMRB_code                        .
  _Entity.Name                             HEM
  _Entity.Type                             non-polymer
  _Entity.Polymer_common_type              .
  _Entity.Polymer_type                     .
  _Entity.Polymer_type_details             .
  _Entity.Polymer_strand_ID                .
  _Entity.Polymer_seq_one_letter_code_can  .
  _Entity.Polymer_seq_one_letter_code      .
  _Entity.Target_identifier                .
  _Entity.Polymer_author_defined_seq       .
  _Entity.Polymer_author_seq_details       .
  _Entity.Ambiguous_conformational_states  no
  _Entity.Ambiguous_chem_comp_sites        no
  _Entity.Nstd_monomer                     .
  _Entity.Nstd_chirality                   no
  _Entity.Nstd_linkage                     no
  _Entity.Nonpolymer_comp_ID               HEM
  _Entity.Nonpolymer_comp_label            $chem_comp_HEM
  _Entity.Number_of_monomers               .
  _Entity.Number_of_nonpolymer_components  .
  _Entity.Paramagnetic                     .
  _Entity.Thiol_state                      .
  _Entity.Src_method                       .
  _Entity.Parent_entity_ID                 2
  _Entity.Fragment                         .
  _Entity.Mutation                         .
  _Entity.EC_number                        .
  _Entity.Calc_isoelectric_point           .
  _Entity.Formula_weight                   .
  _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    .   HEM    .   6921    2    
  stop_

save_

    ####################
    #  Natural source  #
    ####################


save_natural_source
  _Entity_natural_src_list.Sf_category   natural_source
  _Entity_natural_src_list.Sf_framecode  natural_source
  _Entity_natural_src_list.Entry_ID      6921
  _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    $Cytochrome_b5   .   9606    organism    .   'Homo sapiens'  Human    .   .   Eukaryota    Metazoa    Homo    sapiens    .   .   .   .   .   .   .   .   .   'endoplasmic reticulum'  .   .   .   .   .   .   .   .   .   .   .   6921    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      6921
  _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    $Cytochrome_b5   .   'recombinant technology'  .   'E. coli'  'Escherichia  coli "BL21 (DE3)'  .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   'plasmid pET-15b'  .   .   Novagen    .   .   6921    1    
  stop_

save_

    #################################
    #  Polymer residues and ligands #
    #################################


save_chem_comp_HEM
  _Chem_comp.Sf_category                      chem_comp
  _Chem_comp.Sf_framecode                     chem_comp_HEM
  _Chem_comp.Entry_ID                         6921
  _Chem_comp.ID                               HEM
  _Chem_comp.Provenance                       .
  _Chem_comp.Name                             'PROTOPORPHYRIN IX CONTAINING FE'
  _Chem_comp.Type                             non-polymer
  _Chem_comp.BMRB_code                        .
  _Chem_comp.PDB_code                         HEM
  _Chem_comp.Ambiguous_flag                   yes
  _Chem_comp.Initial_date                     1999-07-08
  _Chem_comp.Modified_date                    2009-08-11
  _Chem_comp.Release_status                   REL
  _Chem_comp.Replaced_by                      .
  _Chem_comp.Replaces                         MHM
  _Chem_comp.One_letter_code                  .
  _Chem_comp.Three_letter_code                HEM
  _Chem_comp.Number_atoms_all                 .
  _Chem_comp.Number_atoms_nh                  .
  _Chem_comp.PubChem_code                     .
  _Chem_comp.Subcomponent_list                .
  _Chem_comp.InChI_code                       .
  _Chem_comp.Mon_nstd_flag                    .
  _Chem_comp.Mon_nstd_class                   .
  _Chem_comp.Mon_nstd_details                 .
  _Chem_comp.Mon_nstd_parent                  .
  _Chem_comp.Mon_nstd_parent_comp_ID          .
  _Chem_comp.Std_deriv_one_letter_code        .
  _Chem_comp.Std_deriv_three_letter_code      .
  _Chem_comp.Std_deriv_BMRB_code              .
  _Chem_comp.Std_deriv_PDB_code               .
  _Chem_comp.Std_deriv_chem_comp_name         .
  _Chem_comp.Synonyms                         HEME
  _Chem_comp.Formal_charge                    0
  _Chem_comp.Paramagnetic                     .
  _Chem_comp.Aromatic                         yes
  _Chem_comp.Formula                          'C34 H32 Fe N4 O4'
  _Chem_comp.Formula_weight                   616.487
  _Chem_comp.Formula_mono_iso_wt_nat          .
  _Chem_comp.Formula_mono_iso_wt_13C          .
  _Chem_comp.Formula_mono_iso_wt_15N          .
  _Chem_comp.Formula_mono_iso_wt_13C_15N      .
  _Chem_comp.Image_file_name                  .
  _Chem_comp.Image_file_format                .
  _Chem_comp.Topo_file_name                   .
  _Chem_comp.Topo_file_format                 .
  _Chem_comp.Struct_file_name                 .
  _Chem_comp.Struct_file_format               .
  _Chem_comp.Stereochem_param_file_name       .
  _Chem_comp.Stereochem_param_file_format     .
  _Chem_comp.Model_details                    .
  _Chem_comp.Model_erf                        .
  _Chem_comp.Model_source                     .
  _Chem_comp.Model_coordinates_details        .
  _Chem_comp.Model_coordinates_missing_flag   no
  _Chem_comp.Ideal_coordinates_details        .
  _Chem_comp.Ideal_coordinates_missing_flag   .
  _Chem_comp.Model_coordinates_db_code        3IA3
  _Chem_comp.Processing_site                  RCSB
  _Chem_comp.Vendor                           .
  _Chem_comp.Vendor_product_code              .
  _Chem_comp.Details                          
;
Information obtained from PDB's Chemical Component Dictionary
at http://wwpdb-remediation.rutgers.edu/downloads.html
Downloaded on Tue Aug 30 14:27:01 2011
;

  _Chem_comp.DB_query_date                    .
  _Chem_comp.DB_last_query_revised_last_date  .

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

    Cc1c2/cc/3\nc(/cc\4/c(c(/c(/[nH]4)c/c5n/c(c\c(c1CCC(=O)O)[nH]2)/C(=C5C)CCC(=O)O)C=C)C)C(=C3C)C=C                                                                                                                                                                           SMILES_CANONICAL    'OpenEye OEToolkits'  1.7.0    6921    HEM    
    Cc1c2cc3nc(cc4c(c(c([nH]4)cc5nc(cc(c1CCC(=O)O)[nH]2)C(=C5C)CCC(=O)O)C=C)C)C(=C3C)C=C                                                                                                                                                                                       SMILES              'OpenEye OEToolkits'  1.7.0    6921    HEM    
    Cc1c2[nH]c(cc3nc(cc4[nH]c(cc5nc(c2)c(C)c5C=C)c(C)c4C=C)c(C)c3CCC(O)=O)c1CCC(O)=O                                                                                                                                                                                           SMILES              CACTVS                3.352    6921    HEM    
    Cc1c2[nH]c(cc3nc(cc4[nH]c(cc5nc(c2)c(C)c5C=C)c(C)c4C=C)c(C)c3CCC(O)=O)c1CCC(O)=O                                                                                                                                                                                           SMILES_CANONICAL    CACTVS                3.352    6921    HEM    
    FEDYMSUPMFCVOD-UJJXFSCMSA-N                                                                                                                                                                                                                                                InChIKey            InChI                 1.02     6921    HEM    
    InChI=1S/C34H34N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,13-16,36-37H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-    InChI               InChI                 1.02     6921    HEM    
    O=C(O)CCc5c(c2nc5cc1nc(C(=C1CCC(=O)O)C)cc4c(c(c(cc3nc(c2)C(=C3\C=C)C)n4)C)\C=C)C                                                                                                                                                                                           SMILES              ACDLabs               11.02    6921    HEM    
  stop_

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

    '3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid'                                              'SYSTEMATIC NAME'  ACDLabs               11.02    6921    HEM    
    '3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid'  'SYSTEMATIC NAME'  'OpenEye OEToolkits'  1.6.1    6921    HEM    
  stop_

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

    CHA     .   CHA     .   .   C     .   .   N    0    .   .   .   .   yes    no    .   .   .   .   2.748     .   -19.531    .   39.896    .   -2.161    -0.125    0.490     1     .   6921    HEM    
    CHB     .   CHB     .   .   C     .   .   N    0    .   .   .   .   yes    no    .   .   .   .   3.258     .   -17.744    .   35.477    .   1.458     -3.419    0.306     2     .   6921    HEM    
    CHC     .   CHC     .   .   C     .   .   N    0    .   .   .   .   yes    no    .   .   .   .   1.703     .   -21.900    .   33.637    .   4.701     0.169     -0.069    3     .   6921    HEM    
    CHD     .   CHD     .   .   C     .   .   N    0    .   .   .   .   yes    no    .   .   .   .   1.149     .   -23.677    .   38.059    .   1.075     3.460     0.018     4     .   6921    HEM    
    C1A     .   C1A     .   .   C     .   .   N    0    .   .   .   .   yes    no    .   .   .   .   3.031     .   -18.673    .   38.872    .   -1.436    -1.305    0.380     5     .   6921    HEM    
    C2A     .   C2A     .   .   C     .   .   N    0    .   .   .   .   yes    no    .   .   .   .   3.578     .   -17.325    .   39.013    .   -2.015    -2.587    0.320     6     .   6921    HEM    
    C3A     .   C3A     .   .   C     .   .   N    0    .   .   .   .   yes    no    .   .   .   .   3.705     .   -16.820    .   37.785    .   -1.009    -3.500    0.270     7     .   6921    HEM    
    C4A     .   C4A     .   .   C     .   .   N    0    .   .   .   .   yes    no    .   .   .   .   3.256     .   -17.863    .   36.862    .   0.216     -2.803    0.298     8     .   6921    HEM    
    CMA     .   CMA     .   .   C     .   .   N    0    .   .   .   .   no     no    .   .   .   .   4.227     .   -15.469    .   37.393    .   -1.175    -4.996    0.197     9     .   6921    HEM    
    CAA     .   CAA     .   .   C     .   .   N    0    .   .   .   .   no     no    .   .   .   .   3.945     .   -16.670    .   40.296    .   -3.490    -2.893    0.314     10    .   6921    HEM    
    CBA     .   CBA     .   .   C     .   .   N    0    .   .   .   .   no     no    .   .   .   .   5.391     .   -17.138    .   40.581    .   -3.998    -2.926    -1.129    11    .   6921    HEM    
    CGA     .   CGA     .   .   C     .   .   N    0    .   .   .   .   no     no    .   .   .   .   6.095     .   -16.663    .   41.825    .   -5.473    -3.232    -1.136    12    .   6921    HEM    
    O1A     .   O1A     .   .   O     .   .   N    0    .   .   .   .   no     no    .   .   .   .   7.098     .   -15.928    .   41.683    .   -6.059    -3.405    -0.094    13    .   6921    HEM    
    O2A     .   O2A     .   .   O     .   .   N    0    .   .   .   .   no     no    .   .   .   .   5.657     .   -17.040    .   42.940    .   -6.137    -3.311    -2.300    14    .   6921    HEM    
    C1B     .   C1B     .   .   C     .   .   N    0    .   .   .   .   yes    no    .   .   .   .   2.888     .   -18.698    .   34.579    .   2.664     -2.707    0.308     15    .   6921    HEM    
    C2B     .   C2B     .   .   C     .   .   N    0    .   .   .   .   yes    no    .   .   .   .   2.933     .   -18.535    .   33.146    .   3.937     -3.328    0.418     16    .   6921    HEM    
    C3B     .   C3B     .   .   C     .   .   N    0    .   .   .   .   yes    no    .   .   .   .   2.499     .   -19.716    .   32.632    .   4.874     -2.341    0.314     17    .   6921    HEM    
    C4B     .   C4B     .   .   C     .   .   N    0    .   .   .   .   yes    no    .   .   .   .   2.187     .   -20.580    .   33.743    .   4.117     -1.079    0.139     18    .   6921    HEM    
    CMB     .   CMB     .   .   C     .   .   N    0    .   .   .   .   no     no    .   .   .   .   3.391     .   -17.290    .   32.422    .   4.203     -4.798    0.613     19    .   6921    HEM    
    CAB     .   CAB     .   .   C     .   .   N    0    .   .   .   .   no     no    .   .   .   .   2.345     .   -20.140    .   31.217    .   6.339     -2.497    0.365     20    .   6921    HEM    
    CBB     .   CBB     .   .   C     .   .   N    0    .   .   .   .   no     no    .   .   .   .   1.755     .   -19.492    .   30.233    .   6.935     -3.419    -0.385    21    .   6921    HEM    
    C1C     .   C1C     .   .   C     .   .   N    0    .   .   .   .   yes    no    .   .   .   .   1.395     .   -22.786    .   34.659    .   3.964     1.345     -0.174    22    .   6921    HEM    
    C2C     .   C2C     .   .   C     .   .   N    0    .   .   .   .   yes    no    .   .   .   .   0.854     .   -24.130    .   34.500    .   4.531     2.601     -0.445    23    .   6921    HEM    
    C3C     .   C3C     .   .   C     .   .   N    0    .   .   .   .   yes    no    .   .   .   .   0.689     .   -24.626    .   35.757    .   3.510     3.536     -0.437    24    .   6921    HEM    
    C4C     .   C4C     .   .   C     .   .   N    0    .   .   .   .   yes    no    .   .   .   .   1.139     .   -23.583    .   36.674    .   2.304     2.846     -0.139    25    .   6921    HEM    
    CMC     .   CMC     .   .   C     .   .   N    0    .   .   .   .   no     no    .   .   .   .   0.550     .   -24.782    .   33.175    .   5.991     2.880     -0.697    26    .   6921    HEM    
    CAC     .   CAC     .   .   C     .   .   N    0    .   .   .   .   no     no    .   .   .   .   0.164     .   -25.943    .   36.196    .   3.649     4.981     -0.692    27    .   6921    HEM    
    CBC     .   CBC     .   .   C     .   .   N    0    .   .   .   .   no     no    .   .   .   .   0.498     .   -27.158    .   35.750    .   4.201     5.407     -1.823    28    .   6921    HEM    
    C1D     .   C1D     .   .   C     .   .   N    0    .   .   .   .   yes    no    .   .   .   .   1.550     .   -22.718    .   38.980    .   -0.102    2.753     0.298     29    .   6921    HEM    
    C2D     .   C2D     .   .   C     .   .   N    0    .   .   .   .   yes    no    .   .   .   .   1.513     .   -22.879    .   40.415    .   -1.382    3.388     0.641     30    .   6921    HEM    
    C3D     .   C3D     .   .   C     .   .   N    0    .   .   .   .   yes    no    .   .   .   .   1.951     .   -21.691    .   40.929    .   -2.283    2.389     0.774     31    .   6921    HEM    
    C4D     .   C4D     .   .   C     .   .   N    0    .   .   .   .   yes    no    .   .   .   .   2.277     .   -20.826    .   39.811    .   -1.561    1.137     0.511     32    .   6921    HEM    
    CMD     .   CMD     .   .   C     .   .   N    0    .   .   .   .   no     no    .   .   .   .   1.055     .   -24.094    .   41.156    .   -1.639    4.863     0.811     33    .   6921    HEM    
    CAD     .   CAD     .   .   C     .   .   N    0    .   .   .   .   no     no    .   .   .   .   2.048     .   -21.326    .   42.352    .   -3.741    2.532     1.123     34    .   6921    HEM    
    CBD     .   CBD     .   .   C     .   .   N    0    .   .   .   .   no     no    .   .   .   .   0.741     .   -20.498    .   42.530    .   -4.573    2.563     -0.160    35    .   6921    HEM    
    CGD     .   CGD     .   .   C     .   .   N    0    .   .   .   .   no     no    .   .   .   .   0.578     .   -19.987    .   43.892    .   -6.032    2.706     0.189     36    .   6921    HEM    
    O1D     .   O1D     .   .   O     .   .   N    0    .   .   .   .   no     no    .   .   .   .   1.387     .   -19.103    .   44.303    .   -6.372    2.776     1.347     37    .   6921    HEM    
    O2D     .   O2D     .   .   O     .   .   N    0    .   .   .   .   no     no    .   .   .   .   -0.401    .   -20.468    .   44.537    .   -6.954    2.755     -0.785    38    .   6921    HEM    
    NA      .   NA      .   .   N     .   .   N    0    .   .   .   .   yes    no    .   .   .   .   2.863     .   -18.969    .   37.554    .   -0.068    -1.456    0.321     39    .   6921    HEM    
    NB      .   NB      .   .   N     .   .   N    0    .   .   .   .   yes    no    .   .   .   .   2.439     .   -19.944    .   34.911    .   2.820     -1.386    0.207     40    .   6921    HEM    
    NC      .   NC      .   .   N     .   .   N    0    .   .   .   .   yes    no    .   .   .   .   1.537     .   -22.509    .   35.976    .   2.604     1.506     -0.033    41    .   6921    HEM    
    ND      .   ND      .   .   N     .   .   N    0    .   .   .   .   yes    no    .   .   .   .   2.008     .   -21.465    .   38.663    .   -0.276    1.431     0.298     42    .   6921    HEM    
    FE      .   FE      .   .   FE    .   .   S    0    .   .   .   .   no     no    .   .   .   .   2.196     .   -20.749    .   36.814    .   1.010     0.157     -0.060    43    .   6921    HEM    
    HHB     .   HHB     .   .   H     .   .   N    0    .   .   .   .   no     no    .   .   .   .   3.587     .   -16.798    .   35.072    .   1.498     -4.508    0.309     44    .   6921    HEM    
    HHC     .   HHC     .   .   H     .   .   N    0    .   .   .   .   no     no    .   .   .   .   1.553     .   -22.268    .   32.633    .   5.786     0.229     -0.153    45    .   6921    HEM    
    HHD     .   HHD     .   .   H     .   .   N    0    .   .   .   .   no     no    .   .   .   .   0.802     .   -24.613    .   38.472    .   1.018     4.543     -0.083    46    .   6921    HEM    
    HMA     .   HMA     .   .   H     .   .   N    0    .   .   .   .   no     no    .   .   .   .   5.316     .   -15.524    .   37.249    .   -1.220    -5.306    -0.847    47    .   6921    HEM    
    HMAA    .   HMAA    .   .   H     .   .   N    0    .   .   .   .   no     no    .   .   .   .   3.749     .   -15.149    .   36.455    .   -0.328    -5.480    0.683     48    .   6921    HEM    
    HMAB    .   HMAB    .   .   H     .   .   N    0    .   .   .   .   no     no    .   .   .   .   3.998     .   -14.743    .   38.187    .   -2.097    -5.285    0.702     49    .   6921    HEM    
    HAA     .   HAA     .   .   H     .   .   N    0    .   .   .   .   no     no    .   .   .   .   3.894     .   -15.575    .   40.209    .   -3.662    -3.862    0.782     50    .   6921    HEM    
    HAAA    .   HAAA    .   .   H     .   .   N    0    .   .   .   .   no     no    .   .   .   .   3.264     .   -16.976    .   41.104    .   -4.024    -2.121    0.869     51    .   6921    HEM    
    HBA     .   HBA     .   .   H     .   .   N    0    .   .   .   .   no     no    .   .   .   .   5.351     .   -18.235    .   40.650    .   -3.825    -1.956    -1.597    52    .   6921    HEM    
    HBAA    .   HBAA    .   .   H     .   .   N    0    .   .   .   .   no     no    .   .   .   .   5.999     .   -16.792    .   39.732    .   -3.464    -3.697    -1.684    53    .   6921    HEM    
    HMB     .   HMB     .   .   H     .   .   N    0    .   .   .   .   no     no    .   .   .   .   3.319     .   -17.449    .   31.336    .   3.256     -5.336    0.660     54    .   6921    HEM    
    HMBA    .   HMBA    .   .   H     .   .   N    0    .   .   .   .   no     no    .   .   .   .   2.753     .   -16.442    .   32.711    .   4.794     -5.175    -0.222    55    .   6921    HEM    
    HMBB    .   HMBB    .   .   H     .   .   N    0    .   .   .   .   no     no    .   .   .   .   4.435     .   -17.072    .   32.692    .   4.752     -4.948    1.543     56    .   6921    HEM    
    HAB     .   HAB     .   .   H     .   .   N    0    .   .   .   .   no     no    .   .   .   .   2.770     .   -21.100    .   30.963    .   6.927     -1.863    1.011     57    .   6921    HEM    
    HBB     .   HBB     .   .   H     .   .   N    0    .   .   .   .   no     no    .   .   .   .   1.719     .   -19.927    .   29.245    .   7.994     -3.600    -0.277    58    .   6921    HEM    
    HBBA    .   HBBA    .   .   H     .   .   N    0    .   .   .   .   no     no    .   .   .   .   1.308     .   -18.526    .   30.414    .   6.360     -3.987    -1.102    59    .   6921    HEM    
    HMC     .   HMC     .   .   H     .   .   N    0    .   .   .   .   no     no    .   .   .   .   1.438     .   -25.328    .   32.822    .   6.554     1.949     -0.639    60    .   6921    HEM    
    HMCA    .   HMCA    .   .   H     .   .   N    0    .   .   .   .   no     no    .   .   .   .   -0.288    .   -25.484    .   33.296    .   6.110     3.316     -1.689    61    .   6921    HEM    
    HMCB    .   HMCB    .   .   H     .   .   N    0    .   .   .   .   no     no    .   .   .   .   0.278     .   -24.010    .   32.440    .   6.362     3.578     0.053     62    .   6921    HEM    
    HAC     .   HAC     .   .   H     .   .   N    0    .   .   .   .   no     no    .   .   .   .   -0.583    .   -25.916    .   36.975    .   3.303     5.694     0.042     63    .   6921    HEM    
    HBC     .   HBC     .   .   H     .   .   N    0    .   .   .   .   no     no    .   .   .   .   0.027     .   -28.035    .   36.169    .   4.614     4.696     -2.523    64    .   6921    HEM    
    HBCA    .   HBCA    .   .   H     .   .   N    0    .   .   .   .   no     no    .   .   .   .   1.239     .   -27.263    .   34.971    .   4.235     6.464     -2.043    65    .   6921    HEM    
    HMD     .   HMD     .   .   H     .   .   N    0    .   .   .   .   no     no    .   .   .   .   1.142     .   -23.919    .   42.238    .   -0.715    5.415     0.639     66    .   6921    HEM    
    HMDA    .   HMDA    .   .   H     .   .   N    0    .   .   .   .   no     no    .   .   .   .   0.006     .   -24.304    .   40.902    .   -2.394    5.185     0.094     67    .   6921    HEM    
    HMDB    .   HMDB    .   .   H     .   .   N    0    .   .   .   .   no     no    .   .   .   .   1.680     .   -24.954    .   40.872    .   -1.994    5.055     1.824     68    .   6921    HEM    
    HAD     .   HAD     .   .   H     .   .   N    0    .   .   .   .   no     no    .   .   .   .   2.081     .   -22.206    .   43.011    .   -4.052    1.687     1.738     69    .   6921    HEM    
    HADA    .   HADA    .   .   H     .   .   N    0    .   .   .   .   no     no    .   .   .   .   2.951     .   -20.739    .   42.575    .   -3.893    3.459     1.677     70    .   6921    HEM    
    HBD     .   HBD     .   .   H     .   .   N    0    .   .   .   .   no     no    .   .   .   .   0.775     .   -19.642    .   41.839    .   -4.262    3.408     -0.775    71    .   6921    HEM    
    HBDA    .   HBDA    .   .   H     .   .   N    0    .   .   .   .   no     no    .   .   .   .   -0.116    .   -21.147    .   42.297    .   -4.421    1.636     -0.714    72    .   6921    HEM    
    H2A     .   H2A     .   .   H     .   .   N    0    .   .   .   .   no     no    .   .   .   .   6.201     .   -16.682    .   43.632    .   -7.082    -3.510    -2.254    73    .   6921    HEM    
    H2D     .   H2D     .   .   H     .   .   N    0    .   .   .   .   no     no    .   .   .   .   -0.445    .   -20.063    .   45.395    .   -7.877    2.847     -0.512    74    .   6921    HEM    
    HHA     .   HHA     .   .   H     .   .   N    0    .   .   .   .   no     no    .   .   .   .   2.913     .   -19.150    .   40.893    .   -3.246    -0.188    0.567     75    .   6921    HEM    
  stop_

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

    1     .   SING    CHA    C1A     yes    N    1     .   6921    HEM    
    2     .   DOUB    CHA    C4D     yes    N    2     .   6921    HEM    
    3     .   SING    CHA    HHA     no     N    3     .   6921    HEM    
    4     .   SING    CHB    C4A     yes    N    4     .   6921    HEM    
    5     .   DOUB    CHB    C1B     yes    N    5     .   6921    HEM    
    6     .   SING    CHB    HHB     no     N    6     .   6921    HEM    
    7     .   SING    CHC    C4B     yes    N    7     .   6921    HEM    
    8     .   DOUB    CHC    C1C     yes    N    8     .   6921    HEM    
    9     .   SING    CHC    HHC     no     N    9     .   6921    HEM    
    10    .   DOUB    CHD    C4C     yes    N    10    .   6921    HEM    
    11    .   SING    CHD    C1D     yes    N    11    .   6921    HEM    
    12    .   SING    CHD    HHD     no     N    12    .   6921    HEM    
    13    .   DOUB    C1A    C2A     yes    N    13    .   6921    HEM    
    14    .   SING    C1A    NA      yes    N    14    .   6921    HEM    
    15    .   SING    C2A    C3A     yes    N    15    .   6921    HEM    
    16    .   SING    C2A    CAA     no     N    16    .   6921    HEM    
    17    .   DOUB    C3A    C4A     yes    N    17    .   6921    HEM    
    18    .   SING    C3A    CMA     no     N    18    .   6921    HEM    
    19    .   SING    C4A    NA      yes    N    19    .   6921    HEM    
    20    .   SING    CMA    HMA     no     N    20    .   6921    HEM    
    21    .   SING    CMA    HMAA    no     N    21    .   6921    HEM    
    22    .   SING    CMA    HMAB    no     N    22    .   6921    HEM    
    23    .   SING    CAA    CBA     no     N    23    .   6921    HEM    
    24    .   SING    CAA    HAA     no     N    24    .   6921    HEM    
    25    .   SING    CAA    HAAA    no     N    25    .   6921    HEM    
    26    .   SING    CBA    CGA     no     N    26    .   6921    HEM    
    27    .   SING    CBA    HBA     no     N    27    .   6921    HEM    
    28    .   SING    CBA    HBAA    no     N    28    .   6921    HEM    
    29    .   DOUB    CGA    O1A     no     N    29    .   6921    HEM    
    30    .   SING    CGA    O2A     no     N    30    .   6921    HEM    
    31    .   SING    C1B    C2B     no     N    31    .   6921    HEM    
    32    .   SING    C1B    NB      yes    N    32    .   6921    HEM    
    33    .   DOUB    C2B    C3B     yes    N    33    .   6921    HEM    
    34    .   SING    C2B    CMB     yes    N    34    .   6921    HEM    
    35    .   SING    C3B    C4B     no     N    35    .   6921    HEM    
    36    .   SING    C3B    CAB     yes    N    36    .   6921    HEM    
    37    .   DOUB    C4B    NB      no     N    37    .   6921    HEM    
    38    .   SING    CMB    HMB     yes    N    38    .   6921    HEM    
    39    .   SING    CMB    HMBA    no     N    39    .   6921    HEM    
    40    .   SING    CMB    HMBB    no     N    40    .   6921    HEM    
    41    .   DOUB    CAB    CBB     no     N    41    .   6921    HEM    
    42    .   SING    CAB    HAB     no     N    42    .   6921    HEM    
    43    .   SING    CBB    HBB     no     N    43    .   6921    HEM    
    44    .   SING    CBB    HBBA    no     N    44    .   6921    HEM    
    45    .   SING    C1C    C2C     no     N    45    .   6921    HEM    
    46    .   SING    C1C    NC      yes    N    46    .   6921    HEM    
    47    .   DOUB    C2C    C3C     yes    N    47    .   6921    HEM    
    48    .   SING    C2C    CMC     yes    N    48    .   6921    HEM    
    49    .   SING    C3C    C4C     no     N    49    .   6921    HEM    
    50    .   SING    C3C    CAC     yes    N    50    .   6921    HEM    
    51    .   SING    C4C    NC      no     N    51    .   6921    HEM    
    52    .   SING    CMC    HMC     yes    N    52    .   6921    HEM    
    53    .   SING    CMC    HMCA    no     N    53    .   6921    HEM    
    54    .   SING    CMC    HMCB    no     N    54    .   6921    HEM    
    55    .   DOUB    CAC    CBC     no     N    55    .   6921    HEM    
    56    .   SING    CAC    HAC     no     N    56    .   6921    HEM    
    57    .   SING    CBC    HBC     no     N    57    .   6921    HEM    
    58    .   SING    CBC    HBCA    no     N    58    .   6921    HEM    
    59    .   SING    C1D    C2D     no     N    59    .   6921    HEM    
    60    .   DOUB    C1D    ND      yes    N    60    .   6921    HEM    
    61    .   DOUB    C2D    C3D     yes    N    61    .   6921    HEM    
    62    .   SING    C2D    CMD     yes    N    62    .   6921    HEM    
    63    .   SING    C3D    C4D     no     N    63    .   6921    HEM    
    64    .   SING    C3D    CAD     yes    N    64    .   6921    HEM    
    65    .   SING    C4D    ND      no     N    65    .   6921    HEM    
    66    .   SING    CMD    HMD     yes    N    66    .   6921    HEM    
    67    .   SING    CMD    HMDA    no     N    67    .   6921    HEM    
    68    .   SING    CMD    HMDB    no     N    68    .   6921    HEM    
    69    .   SING    CAD    CBD     no     N    69    .   6921    HEM    
    70    .   SING    CAD    HAD     no     N    70    .   6921    HEM    
    71    .   SING    CAD    HADA    no     N    71    .   6921    HEM    
    72    .   SING    CBD    CGD     no     N    72    .   6921    HEM    
    73    .   SING    CBD    HBD     no     N    73    .   6921    HEM    
    74    .   SING    CBD    HBDA    no     N    74    .   6921    HEM    
    75    .   DOUB    CGD    O1D     no     N    75    .   6921    HEM    
    76    .   SING    CGD    O2D     no     N    76    .   6921    HEM    
    77    .   SING    O2A    H2A     no     N    77    .   6921    HEM    
    78    .   SING    O2D    H2D     no     N    78    .   6921    HEM    
    79    .   SING    FE     NA      no     N    79    .   6921    HEM    
    80    .   SING    FE     NB      no     N    80    .   6921    HEM    
    81    .   SING    FE     NC      no     N    81    .   6921    HEM    
    82    .   SING    FE     ND      no     N    82    .   6921    HEM    
  stop_

save_

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


save_sample_1
  _Sample.Sf_category                     sample
  _Sample.Sf_framecode                    sample_1
  _Sample.Entry_ID                        6921
  _Sample.ID                              1
  _Sample.Type                            solution
  _Sample.Sub_type                        .
  _Sample.Details                         .
  _Sample.Aggregate_sample_number         .
  _Sample.Solvent_system                  .
  _Sample.Preparation_date                .
  _Sample.Preparation_expiration_date     .
  _Sample.Polycrystallization_protocol    .
  _Sample.Single_crystal_protocol         .
  _Sample.Crystal_grow_apparatus          .
  _Sample.Crystal_grow_atmosphere         .
  _Sample.Crystal_grow_details            .
  _Sample.Crystal_grow_method             .
  _Sample.Crystal_grow_method_cit_ID      .
  _Sample.Crystal_grow_pH                 .
  _Sample.Crystal_grow_pH_range           .
  _Sample.Crystal_grow_pressure           .
  _Sample.Crystal_grow_pressure_esd       .
  _Sample.Crystal_grow_seeding            .
  _Sample.Crystal_grow_seeding_cit_ID     .
  _Sample.Crystal_grow_temp               .
  _Sample.Crystal_grow_temp_details       .
  _Sample.Crystal_grow_temp_esd           .
  _Sample.Crystal_grow_time               .
  _Sample.Oriented_sample_prep_protocol   .
  _Sample.Lyophilization_cryo_protectant  .
  _Sample.Storage_protocol                .

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

    1    cytb5    '[U-99% 13C; U-99% 15N]'  1    $assembly   .   .   .   protein    1    0.7    1.2    mM    .   .   .   .   6921    1    
  stop_

save_

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


save_conditions_1
  _Sample_condition_list.Sf_category   sample_conditions
  _Sample_condition_list.Sf_framecode  conditions_1
  _Sample_condition_list.Entry_ID      6921
  _Sample_condition_list.ID            1
  _Sample_condition_list.Details       'T= 308 K'

  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             6.5    0.2     pH    6921    1    
    temperature    308    0.05    K     6921    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        6921
  _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        6921
  _NMR_spectrometer.ID              2
  _NMR_spectrometer.Details         .
  _NMR_spectrometer.Manufacturer    BRUKER
  _NMR_spectrometer.Model           AVANCE
  _NMR_spectrometer.Serial_number   .
  _NMR_spectrometer.Field_strength  600

save_

    #############################
    #  NMR applied experiments  #
    #############################


save_NMR_experiment_list
  _Experiment_list.Sf_category   experiment_list
  _Experiment_list.Sf_framecode  NMR_experiment_list
  _Experiment_list.Entry_ID      6921
  _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     HNCA              no    .   .   .   .   .   .   .   .   .   .   1    $sample_1   .   .   .   1    $conditions_1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   6921    1    
    2     HN(CO)CA          no    .   .   .   .   .   .   .   .   .   .   1    $sample_1   .   .   .   1    $conditions_1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   6921    1    
    3     HNCO              no    .   .   .   .   .   .   .   .   .   .   1    $sample_1   .   .   .   1    $conditions_1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   6921    1    
    4     HN(CA)CO          no    .   .   .   .   .   .   .   .   .   .   1    $sample_1   .   .   .   1    $conditions_1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   6921    1    
    5     CBCA(CO)NH        no    .   .   .   .   .   .   .   .   .   .   1    $sample_1   .   .   .   1    $conditions_1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   6921    1    
    6     HNCACB            no    .   .   .   .   .   .   .   .   .   .   1    $sample_1   .   .   .   1    $conditions_1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   6921    1    
    7     HCCH-TOCSY        no    .   .   .   .   .   .   .   .   .   .   1    $sample_1   .   .   .   1    $conditions_1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   6921    1    
    8     NOESY-15N-HSQC    no    .   .   .   .   .   .   .   .   .   .   1    $sample_1   .   .   .   1    $conditions_1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   6921    1    
    9     TOCSY-15N-HSQC    no    .   .   .   .   .   .   .   .   .   .   1    $sample_1   .   .   .   1    $conditions_1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   6921    1    
    10    NOESY-13C-HSQC    no    .   .   .   .   .   .   .   .   .   .   1    $sample_1   .   .   .   1    $conditions_1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   6921    1    
  stop_

save_

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

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

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


save_chemical_shift_referencing
  _Chem_shift_reference.Sf_category   chem_shift_reference
  _Chem_shift_reference.Sf_framecode  chemical_shift_referencing
  _Chem_shift_reference.Entry_ID      6921
  _Chem_shift_reference.ID            1
  _Chem_shift_reference.Details       .

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

    C    13    DSS    'methyl protons'  .   .   .   .   ppm    0    external    indirect    0.251449530    .   .              .           .   .   .   .   .   .   6921    1    
    H    1     DSS    'methyl protons'  .   .   .   .   ppm    0    external    direct      1.0            .   cylindrical    parallel    .   .   .   .   .   .   6921    1    
    N    15    DSS    'methyl protons'  .   .   .   .   ppm    0    external    indirect    0.101329118    .   .              .           .   .   .   .   .   .   6921    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_chem_shift_list_1
  _Assigned_chem_shift_list.Sf_category                  assigned_chemical_shifts
  _Assigned_chem_shift_list.Sf_framecode                 chem_shift_list_1
  _Assigned_chem_shift_list.Entry_ID                     6921
  _Assigned_chem_shift_list.ID                           1
  _Assigned_chem_shift_list.Sample_condition_list_ID     1
  _Assigned_chem_shift_list.Sample_condition_list_label  $conditions_1
  _Assigned_chem_shift_list.Chem_shift_reference_ID      1
  _Assigned_chem_shift_list.Chem_shift_reference_label   $chemical_shift_referencing
  _Assigned_chem_shift_list.Chem_shift_1H_err            0.04
  _Assigned_chem_shift_list.Chem_shift_13C_err           0.5
  _Assigned_chem_shift_list.Chem_shift_15N_err           0.5
  _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_1   isotropic    6921    1    
  stop_

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

    1       .   1    1    1      1      ALA    H       H    1     8.252      0.009     .   1    .   .   .   .   1      ALA    H       .   6921    1    
    2       .   1    1    1      1      ALA    HB1     H    1     1.402      0.042     .   1    .   .   .   .   1      ALA    HB      .   6921    1    
    3       .   1    1    1      1      ALA    HB2     H    1     1.402      0.042     .   1    .   .   .   .   1      ALA    HB      .   6921    1    
    4       .   1    1    1      1      ALA    HB3     H    1     1.402      0.042     .   1    .   .   .   .   1      ALA    HB      .   6921    1    
    5       .   1    1    1      1      ALA    CA      C    13    52.920     0.090     .   1    .   .   .   .   1      ALA    CA      .   6921    1    
    6       .   1    1    1      1      ALA    CB      C    13    19.266     0.147     .   1    .   .   .   .   1      ALA    CB      .   6921    1    
    7       .   1    1    1      1      ALA    N       N    15    124.567    0.168     .   1    .   .   .   .   1      ALA    N       .   6921    1    
    8       .   1    1    2      2      GLU    H       H    1     8.345      0.011     .   1    .   .   .   .   2      GLU    H       .   6921    1    
    9       .   1    1    2      2      GLU    HA      H    1     4.228      0.034     .   1    .   .   .   .   2      GLU    HA      .   6921    1    
    10      .   1    1    2      2      GLU    HB2     H    1     1.940      0.018     .   2    .   .   .   .   2      GLU    HB2     .   6921    1    
    11      .   1    1    2      2      GLU    HB3     H    1     1.972      0.000     .   2    .   .   .   .   2      GLU    HB3     .   6921    1    
    12      .   1    1    2      2      GLU    HG2     H    1     2.464      0.008     .   2    .   .   .   .   2      GLU    HG2     .   6921    1    
    13      .   1    1    2      2      GLU    HG3     H    1     2.295      0.032     .   2    .   .   .   .   2      GLU    HG3     .   6921    1    
    14      .   1    1    2      2      GLU    C       C    13    175.976    0.000     .   1    .   .   .   .   2      GLU    C       .   6921    1    
    15      .   1    1    2      2      GLU    CA      C    13    56.996     0.333     .   1    .   .   .   .   2      GLU    CA      .   6921    1    
    16      .   1    1    2      2      GLU    CB      C    13    33.651     2.290     .   1    .   .   .   .   2      GLU    CB      .   6921    1    
    17      .   1    1    2      2      GLU    CG      C    13    29.348     0.032     .   1    .   .   .   .   2      GLU    CG      .   6921    1    
    18      .   1    1    2      2      GLU    N       N    15    119.483    0.167     .   1    .   .   .   .   2      GLU    N       .   6921    1    
    19      .   1    1    3      3      GLN    H       H    1     8.320      0.012     .   1    .   .   .   .   3      GLN    H       .   6921    1    
    20      .   1    1    3      3      GLN    HA      H    1     4.392      0.010     .   1    .   .   .   .   3      GLN    HA      .   6921    1    
    21      .   1    1    3      3      GLN    HB2     H    1     2.031      0.030     .   2    .   .   .   .   3      GLN    HB2     .   6921    1    
    22      .   1    1    3      3      GLN    HG2     H    1     2.379      0.003     .   2    .   .   .   .   3      GLN    HG2     .   6921    1    
    23      .   1    1    3      3      GLN    HE21    H    1     6.787      0.011     .   2    .   .   .   .   3      GLN    HE21    .   6921    1    
    24      .   1    1    3      3      GLN    HE22    H    1     7.529      0.011     .   2    .   .   .   .   3      GLN    HE22    .   6921    1    
    25      .   1    1    3      3      GLN    C       C    13    176.779    0.000     .   1    .   .   .   .   3      GLN    C       .   6921    1    
    26      .   1    1    3      3      GLN    CA      C    13    55.994     0.102     .   1    .   .   .   .   3      GLN    CA      .   6921    1    
    27      .   1    1    3      3      GLN    CB      C    13    29.684     0.035     .   1    .   .   .   .   3      GLN    CB      .   6921    1    
    28      .   1    1    3      3      GLN    CG      C    13    33.840     0.090     .   1    .   .   .   .   3      GLN    CG      .   6921    1    
    29      .   1    1    3      3      GLN    N       N    15    120.629    0.177     .   1    .   .   .   .   3      GLN    N       .   6921    1    
    30      .   1    1    3      3      GLN    NE2     N    15    111.710    0.094     .   1    .   .   .   .   3      GLN    NE2     .   6921    1    
    31      .   1    1    4      4      SER    H       H    1     8.315      0.011     .   1    .   .   .   .   4      SER    H       .   6921    1    
    32      .   1    1    4      4      SER    HA      H    1     3.920      0.004     .   1    .   .   .   .   4      SER    HA      .   6921    1    
    33      .   1    1    4      4      SER    HB2     H    1     3.845      0.012     .   2    .   .   .   .   4      SER    HB2     .   6921    1    
    34      .   1    1    4      4      SER    HB3     H    1     3.539      0.007     .   2    .   .   .   .   4      SER    HB3     .   6921    1    
    35      .   1    1    4      4      SER    C       C    13    173.892    0.344     .   1    .   .   .   .   4      SER    C       .   6921    1    
    36      .   1    1    4      4      SER    CA      C    13    58.725     0.300     .   1    .   .   .   .   4      SER    CA      .   6921    1    
    37      .   1    1    4      4      SER    CB      C    13    64.580     0.198     .   1    .   .   .   .   4      SER    CB      .   6921    1    
    38      .   1    1    4      4      SER    N       N    15    116.951    0.128     .   1    .   .   .   .   4      SER    N       .   6921    1    
    39      .   1    1    5      5      ASP    H       H    1     8.388      0.007     .   1    .   .   .   .   5      ASP    H       .   6921    1    
    40      .   1    1    5      5      ASP    HA      H    1     4.627      0.018     .   1    .   .   .   .   5      ASP    HA      .   6921    1    
    41      .   1    1    5      5      ASP    HB2     H    1     2.713      0.022     .   2    .   .   .   .   5      ASP    HB2     .   6921    1    
    42      .   1    1    5      5      ASP    HB3     H    1     2.644      0.016     .   2    .   .   .   .   5      ASP    HB3     .   6921    1    
    43      .   1    1    5      5      ASP    C       C    13    176.120    0.091     .   1    .   .   .   .   5      ASP    C       .   6921    1    
    44      .   1    1    5      5      ASP    CA      C    13    54.788     0.138     .   1    .   .   .   .   5      ASP    CA      .   6921    1    
    45      .   1    1    5      5      ASP    CB      C    13    41.367     0.099     .   1    .   .   .   .   5      ASP    CB      .   6921    1    
    46      .   1    1    5      5      ASP    CG      C    13    180.140    0.000     .   1    .   .   .   .   5      ASP    CG      .   6921    1    
    47      .   1    1    5      5      ASP    N       N    15    122.347    0.179     .   1    .   .   .   .   5      ASP    N       .   6921    1    
    48      .   1    1    6      6      GLU    H       H    1     8.214      0.048     .   1    .   .   .   .   6      GLU    H       .   6921    1    
    49      .   1    1    6      6      GLU    HA      H    1     4.224      0.016     .   1    .   .   .   .   6      GLU    HA      .   6921    1    
    50      .   1    1    6      6      GLU    HB2     H    1     1.970      0.032     .   2    .   .   .   .   6      GLU    HB2     .   6921    1    
    51      .   1    1    6      6      GLU    HB3     H    1     1.874      0.001     .   2    .   .   .   .   6      GLU    HB3     .   6921    1    
    52      .   1    1    6      6      GLU    HG2     H    1     2.209      0.031     .   2    .   .   .   .   6      GLU    HG2     .   6921    1    
    53      .   1    1    6      6      GLU    HG3     H    1     2.223      0.000     .   2    .   .   .   .   6      GLU    HG3     .   6921    1    
    54      .   1    1    6      6      GLU    C       C    13    175.993    0.001     .   1    .   .   .   .   6      GLU    C       .   6921    1    
    55      .   1    1    6      6      GLU    CA      C    13    56.710     0.164     .   1    .   .   .   .   6      GLU    CA      .   6921    1    
    56      .   1    1    6      6      GLU    CB      C    13    30.547     0.163     .   1    .   .   .   .   6      GLU    CB      .   6921    1    
    57      .   1    1    6      6      GLU    CG      C    13    36.415     0.178     .   1    .   .   .   .   6      GLU    CG      .   6921    1    
    58      .   1    1    6      6      GLU    N       N    15    120.387    0.241     .   1    .   .   .   .   6      GLU    N       .   6921    1    
    59      .   1    1    7      7      ALA    H       H    1     8.131      0.014     .   1    .   .   .   .   7      ALA    H       .   6921    1    
    60      .   1    1    7      7      ALA    HA      H    1     4.227      0.017     .   1    .   .   .   .   7      ALA    HA      .   6921    1    
    61      .   1    1    7      7      ALA    HB1     H    1     1.300      0.019     .   1    .   .   .   .   7      ALA    HB      .   6921    1    
    62      .   1    1    7      7      ALA    HB2     H    1     1.300      0.019     .   1    .   .   .   .   7      ALA    HB      .   6921    1    
    63      .   1    1    7      7      ALA    HB3     H    1     1.300      0.019     .   1    .   .   .   .   7      ALA    HB      .   6921    1    
    64      .   1    1    7      7      ALA    C       C    13    177.189    0.001     .   1    .   .   .   .   7      ALA    C       .   6921    1    
    65      .   1    1    7      7      ALA    CA      C    13    52.612     0.129     .   1    .   .   .   .   7      ALA    CA      .   6921    1    
    66      .   1    1    7      7      ALA    CB      C    13    19.271     0.281     .   1    .   .   .   .   7      ALA    CB      .   6921    1    
    67      .   1    1    7      7      ALA    N       N    15    124.491    0.153     .   1    .   .   .   .   7      ALA    N       .   6921    1    
    68      .   1    1    8      8      VAL    H       H    1     7.703      0.009     .   1    .   .   .   .   8      VAL    H       .   6921    1    
    69      .   1    1    8      8      VAL    HA      H    1     3.761      0.012     .   1    .   .   .   .   8      VAL    HA      .   6921    1    
    70      .   1    1    8      8      VAL    HB      H    1     1.587      0.009     .   1    .   .   .   .   8      VAL    HB      .   6921    1    
    71      .   1    1    8      8      VAL    HG11    H    1     0.671      0.011     .   2    .   .   .   .   8      VAL    HG1     .   6921    1    
    72      .   1    1    8      8      VAL    HG12    H    1     0.671      0.011     .   2    .   .   .   .   8      VAL    HG1     .   6921    1    
    73      .   1    1    8      8      VAL    HG13    H    1     0.671      0.011     .   2    .   .   .   .   8      VAL    HG1     .   6921    1    
    74      .   1    1    8      8      VAL    HG21    H    1     0.343      0.011     .   2    .   .   .   .   8      VAL    HG2     .   6921    1    
    75      .   1    1    8      8      VAL    HG22    H    1     0.343      0.011     .   2    .   .   .   .   8      VAL    HG2     .   6921    1    
    76      .   1    1    8      8      VAL    HG23    H    1     0.343      0.011     .   2    .   .   .   .   8      VAL    HG2     .   6921    1    
    77      .   1    1    8      8      VAL    C       C    13    174.281    0.008     .   1    .   .   .   .   8      VAL    C       .   6921    1    
    78      .   1    1    8      8      VAL    CA      C    13    61.920     0.334     .   1    .   .   .   .   8      VAL    CA      .   6921    1    
    79      .   1    1    8      8      VAL    CB      C    13    33.210     0.108     .   1    .   .   .   .   8      VAL    CB      .   6921    1    
    80      .   1    1    8      8      VAL    CG1     C    13    21.020     0.099     .   1    .   .   .   .   8      VAL    CG1     .   6921    1    
    81      .   1    1    8      8      VAL    CG2     C    13    20.529     0.115     .   1    .   .   .   .   8      VAL    CG2     .   6921    1    
    82      .   1    1    8      8      VAL    N       N    15    120.025    0.188     .   1    .   .   .   .   8      VAL    N       .   6921    1    
    83      .   1    1    9      9      LYS    H       H    1     8.011      0.011     .   1    .   .   .   .   9      LYS    H       .   6921    1    
    84      .   1    1    9      9      LYS    HA      H    1     4.060      0.014     .   1    .   .   .   .   9      LYS    HA      .   6921    1    
    85      .   1    1    9      9      LYS    HB2     H    1     1.604      0.010     .   2    .   .   .   .   9      LYS    HB2     .   6921    1    
    86      .   1    1    9      9      LYS    HB3     H    1     1.587      0.009     .   2    .   .   .   .   9      LYS    HB3     .   6921    1    
    87      .   1    1    9      9      LYS    HG2     H    1     1.174      0.016     .   2    .   .   .   .   9      LYS    HG2     .   6921    1    
    88      .   1    1    9      9      LYS    HG3     H    1     1.078      0.020     .   2    .   .   .   .   9      LYS    HG3     .   6921    1    
    89      .   1    1    9      9      LYS    HD2     H    1     1.582      0.011     .   2    .   .   .   .   9      LYS    HD2     .   6921    1    
    90      .   1    1    9      9      LYS    HD3     H    1     1.590      0.009     .   2    .   .   .   .   9      LYS    HD3     .   6921    1    
    91      .   1    1    9      9      LYS    HE2     H    1     2.907      0.003     .   2    .   .   .   .   9      LYS    HE2     .   6921    1    
    92      .   1    1    9      9      LYS    HE3     H    1     2.824      0.024     .   2    .   .   .   .   9      LYS    HE3     .   6921    1    
    93      .   1    1    9      9      LYS    C       C    13    174.273    0.006     .   1    .   .   .   .   9      LYS    C       .   6921    1    
    94      .   1    1    9      9      LYS    CA      C    13    55.159     0.161     .   1    .   .   .   .   9      LYS    CA      .   6921    1    
    95      .   1    1    9      9      LYS    CB      C    13    33.113     0.149     .   1    .   .   .   .   9      LYS    CB      .   6921    1    
    96      .   1    1    9      9      LYS    CG      C    13    24.589     0.211     .   1    .   .   .   .   9      LYS    CG      .   6921    1    
    97      .   1    1    9      9      LYS    CD      C    13    28.852     0.251     .   1    .   .   .   .   9      LYS    CD      .   6921    1    
    98      .   1    1    9      9      LYS    CE      C    13    42.192     0.018     .   1    .   .   .   .   9      LYS    CE      .   6921    1    
    99      .   1    1    9      9      LYS    N       N    15    126.120    0.164     .   1    .   .   .   .   9      LYS    N       .   6921    1    
    100     .   1    1    10     10     TYR    H       H    1     8.065      0.018     .   1    .   .   .   .   10     TYR    H       .   6921    1    
    101     .   1    1    10     10     TYR    HA      H    1     5.678      0.014     .   1    .   .   .   .   10     TYR    HA      .   6921    1    
    102     .   1    1    10     10     TYR    HB2     H    1     2.828      0.012     .   2    .   .   .   .   10     TYR    HB2     .   6921    1    
    103     .   1    1    10     10     TYR    HB3     H    1     2.641      0.017     .   2    .   .   .   .   10     TYR    HB3     .   6921    1    
    104     .   1    1    10     10     TYR    HD1     H    1     6.840      0.007     .   3    .   .   .   .   10     TYR    HD1     .   6921    1    
    105     .   1    1    10     10     TYR    HD2     H    1     6.835      0.009     .   3    .   .   .   .   10     TYR    HD2     .   6921    1    
    106     .   1    1    10     10     TYR    HE1     H    1     6.591      0.002     .   3    .   .   .   .   10     TYR    HE1     .   6921    1    
    107     .   1    1    10     10     TYR    HE2     H    1     6.588      0.004     .   3    .   .   .   .   10     TYR    HE2     .   6921    1    
    108     .   1    1    10     10     TYR    C       C    13    176.132    0.005     .   1    .   .   .   .   10     TYR    C       .   6921    1    
    109     .   1    1    10     10     TYR    CA      C    13    55.208     0.196     .   1    .   .   .   .   10     TYR    CA      .   6921    1    
    110     .   1    1    10     10     TYR    CB      C    13    41.369     0.093     .   1    .   .   .   .   10     TYR    CB      .   6921    1    
    111     .   1    1    10     10     TYR    CD1     C    13    132.445    0.104     .   3    .   .   .   .   10     TYR    CD1     .   6921    1    
    112     .   1    1    10     10     TYR    CD2     C    13    132.525    0.072     .   3    .   .   .   .   10     TYR    CD2     .   6921    1    
    113     .   1    1    10     10     TYR    CE1     C    13    117.930    0.144     .   3    .   .   .   .   10     TYR    CE1     .   6921    1    
    114     .   1    1    10     10     TYR    CE2     C    13    118.074    0.000     .   3    .   .   .   .   10     TYR    CE2     .   6921    1    
    115     .   1    1    10     10     TYR    N       N    15    121.122    0.186     .   1    .   .   .   .   10     TYR    N       .   6921    1    
    116     .   1    1    11     11     TYR    H       H    1     8.623      0.015     .   1    .   .   .   .   11     TYR    H       .   6921    1    
    117     .   1    1    11     11     TYR    HA      H    1     5.122      0.011     .   1    .   .   .   .   11     TYR    HA      .   6921    1    
    118     .   1    1    11     11     TYR    HB2     H    1     3.138      0.016     .   2    .   .   .   .   11     TYR    HB2     .   6921    1    
    119     .   1    1    11     11     TYR    HB3     H    1     2.416      0.010     .   2    .   .   .   .   11     TYR    HB3     .   6921    1    
    120     .   1    1    11     11     TYR    HD1     H    1     6.873      0.007     .   3    .   .   .   .   11     TYR    HD1     .   6921    1    
    121     .   1    1    11     11     TYR    HD2     H    1     6.871      0.010     .   3    .   .   .   .   11     TYR    HD2     .   6921    1    
    122     .   1    1    11     11     TYR    HE1     H    1     6.520      0.004     .   3    .   .   .   .   11     TYR    HE1     .   6921    1    
    123     .   1    1    11     11     TYR    HE2     H    1     6.524      0.009     .   3    .   .   .   .   11     TYR    HE2     .   6921    1    
    124     .   1    1    11     11     TYR    C       C    13    175.956    0.009     .   1    .   .   .   .   11     TYR    C       .   6921    1    
    125     .   1    1    11     11     TYR    CA      C    13    56.925     0.159     .   1    .   .   .   .   11     TYR    CA      .   6921    1    
    126     .   1    1    11     11     TYR    CB      C    13    42.891     0.132     .   1    .   .   .   .   11     TYR    CB      .   6921    1    
    127     .   1    1    11     11     TYR    CD1     C    13    132.696    0.000     .   3    .   .   .   .   11     TYR    CD1     .   6921    1    
    128     .   1    1    11     11     TYR    CD2     C    13    132.677    0.082     .   3    .   .   .   .   11     TYR    CD2     .   6921    1    
    129     .   1    1    11     11     TYR    CE1     C    13    118.124    0.125     .   3    .   .   .   .   11     TYR    CE1     .   6921    1    
    130     .   1    1    11     11     TYR    CE2     C    13    117.692    0.014     .   3    .   .   .   .   11     TYR    CE2     .   6921    1    
    131     .   1    1    11     11     TYR    N       N    15    117.829    0.146     .   1    .   .   .   .   11     TYR    N       .   6921    1    
    132     .   1    1    12     12     THR    H       H    1     9.116      0.011     .   1    .   .   .   .   12     THR    H       .   6921    1    
    133     .   1    1    12     12     THR    HA      H    1     4.579      0.015     .   1    .   .   .   .   12     THR    HA      .   6921    1    
    134     .   1    1    12     12     THR    HB      H    1     4.827      0.013     .   1    .   .   .   .   12     THR    HB      .   6921    1    
    135     .   1    1    12     12     THR    HG21    H    1     1.191      0.009     .   1    .   .   .   .   12     THR    HG2     .   6921    1    
    136     .   1    1    12     12     THR    HG22    H    1     1.191      0.009     .   1    .   .   .   .   12     THR    HG2     .   6921    1    
    137     .   1    1    12     12     THR    HG23    H    1     1.191      0.009     .   1    .   .   .   .   12     THR    HG2     .   6921    1    
    138     .   1    1    12     12     THR    C       C    13    175.609    0.074     .   1    .   .   .   .   12     THR    C       .   6921    1    
    139     .   1    1    12     12     THR    CA      C    13    60.655     0.175     .   1    .   .   .   .   12     THR    CA      .   6921    1    
    140     .   1    1    12     12     THR    CB      C    13    70.622     0.062     .   1    .   .   .   .   12     THR    CB      .   6921    1    
    141     .   1    1    12     12     THR    CG2     C    13    22.096     0.223     .   1    .   .   .   .   12     THR    CG2     .   6921    1    
    142     .   1    1    12     12     THR    N       N    15    114.676    0.185     .   1    .   .   .   .   12     THR    N       .   6921    1    
    143     .   1    1    13     13     LEU    H       H    1     9.720      0.013     .   1    .   .   .   .   13     LEU    H       .   6921    1    
    144     .   1    1    13     13     LEU    HA      H    1     3.972      0.008     .   1    .   .   .   .   13     LEU    HA      .   6921    1    
    145     .   1    1    13     13     LEU    HB2     H    1     1.648      0.015     .   2    .   .   .   .   13     LEU    HB2     .   6921    1    
    146     .   1    1    13     13     LEU    HB3     H    1     1.517      0.006     .   2    .   .   .   .   13     LEU    HB3     .   6921    1    
    147     .   1    1    13     13     LEU    HG      H    1     1.662      0.009     .   1    .   .   .   .   13     LEU    HG      .   6921    1    
    148     .   1    1    13     13     LEU    HD11    H    1     0.902      0.015     .   2    .   .   .   .   13     LEU    HD1     .   6921    1    
    149     .   1    1    13     13     LEU    HD12    H    1     0.902      0.015     .   2    .   .   .   .   13     LEU    HD1     .   6921    1    
    150     .   1    1    13     13     LEU    HD13    H    1     0.902      0.015     .   2    .   .   .   .   13     LEU    HD1     .   6921    1    
    151     .   1    1    13     13     LEU    HD21    H    1     0.900      0.000     .   2    .   .   .   .   13     LEU    HD2     .   6921    1    
    152     .   1    1    13     13     LEU    HD22    H    1     0.900      0.000     .   2    .   .   .   .   13     LEU    HD2     .   6921    1    
    153     .   1    1    13     13     LEU    HD23    H    1     0.900      0.000     .   2    .   .   .   .   13     LEU    HD2     .   6921    1    
    154     .   1    1    13     13     LEU    C       C    13    178.674    0.016     .   1    .   .   .   .   13     LEU    C       .   6921    1    
    155     .   1    1    13     13     LEU    CA      C    13    58.489     0.161     .   1    .   .   .   .   13     LEU    CA      .   6921    1    
    156     .   1    1    13     13     LEU    CB      C    13    41.959     0.099     .   1    .   .   .   .   13     LEU    CB      .   6921    1    
    157     .   1    1    13     13     LEU    CG      C    13    27.203     0.118     .   1    .   .   .   .   13     LEU    CG      .   6921    1    
    158     .   1    1    13     13     LEU    CD1     C    13    24.321     0.107     .   1    .   .   .   .   13     LEU    CD1     .   6921    1    
    159     .   1    1    13     13     LEU    CD2     C    13    24.400     0.000     .   1    .   .   .   .   13     LEU    CD2     .   6921    1    
    160     .   1    1    13     13     LEU    N       N    15    123.430    0.123     .   1    .   .   .   .   13     LEU    N       .   6921    1    
    161     .   1    1    14     14     GLU    H       H    1     8.389      0.014     .   1    .   .   .   .   14     GLU    H       .   6921    1    
    162     .   1    1    14     14     GLU    HA      H    1     3.940      0.012     .   1    .   .   .   .   14     GLU    HA      .   6921    1    
    163     .   1    1    14     14     GLU    HB2     H    1     1.916      0.021     .   2    .   .   .   .   14     GLU    HB2     .   6921    1    
    164     .   1    1    14     14     GLU    HB3     H    1     1.895      0.013     .   2    .   .   .   .   14     GLU    HB3     .   6921    1    
    165     .   1    1    14     14     GLU    HG2     H    1     2.278      0.007     .   2    .   .   .   .   14     GLU    HG2     .   6921    1    
    166     .   1    1    14     14     GLU    HG3     H    1     2.238      0.030     .   2    .   .   .   .   14     GLU    HG3     .   6921    1    
    167     .   1    1    14     14     GLU    C       C    13    178.218    0.009     .   1    .   .   .   .   14     GLU    C       .   6921    1    
    168     .   1    1    14     14     GLU    CA      C    13    59.681     0.112     .   1    .   .   .   .   14     GLU    CA      .   6921    1    
    169     .   1    1    14     14     GLU    CB      C    13    29.330     0.372     .   1    .   .   .   .   14     GLU    CB      .   6921    1    
    170     .   1    1    14     14     GLU    CG      C    13    36.501     0.098     .   1    .   .   .   .   14     GLU    CG      .   6921    1    
    171     .   1    1    14     14     GLU    N       N    15    116.581    0.215     .   1    .   .   .   .   14     GLU    N       .   6921    1    
    172     .   1    1    15     15     GLU    H       H    1     7.610      0.013     .   1    .   .   .   .   15     GLU    H       .   6921    1    
    173     .   1    1    15     15     GLU    HA      H    1     4.086      0.007     .   1    .   .   .   .   15     GLU    HA      .   6921    1    
    174     .   1    1    15     15     GLU    HB2     H    1     2.415      0.004     .   2    .   .   .   .   15     GLU    HB2     .   6921    1    
    175     .   1    1    15     15     GLU    HB3     H    1     2.288      0.010     .   2    .   .   .   .   15     GLU    HB3     .   6921    1    
    176     .   1    1    15     15     GLU    HG2     H    1     2.705      0.016     .   2    .   .   .   .   15     GLU    HG2     .   6921    1    
    177     .   1    1    15     15     GLU    HG3     H    1     2.308      0.007     .   2    .   .   .   .   15     GLU    HG3     .   6921    1    
    178     .   1    1    15     15     GLU    C       C    13    179.067    0.197     .   1    .   .   .   .   15     GLU    C       .   6921    1    
    179     .   1    1    15     15     GLU    CA      C    13    58.997     0.173     .   1    .   .   .   .   15     GLU    CA      .   6921    1    
    180     .   1    1    15     15     GLU    CB      C    13    30.107     0.140     .   1    .   .   .   .   15     GLU    CB      .   6921    1    
    181     .   1    1    15     15     GLU    CG      C    13    36.553     0.111     .   1    .   .   .   .   15     GLU    CG      .   6921    1    
    182     .   1    1    15     15     GLU    N       N    15    117.900    0.166     .   1    .   .   .   .   15     GLU    N       .   6921    1    
    183     .   1    1    16     16     ILE    H       H    1     8.452      0.010     .   1    .   .   .   .   16     ILE    H       .   6921    1    
    184     .   1    1    16     16     ILE    HA      H    1     3.610      0.026     .   1    .   .   .   .   16     ILE    HA      .   6921    1    
    185     .   1    1    16     16     ILE    HB      H    1     1.831      0.009     .   1    .   .   .   .   16     ILE    HB      .   6921    1    
    186     .   1    1    16     16     ILE    HG12    H    1     2.039      0.011     .   2    .   .   .   .   16     ILE    HG12    .   6921    1    
    187     .   1    1    16     16     ILE    HG13    H    1     0.933      0.017     .   2    .   .   .   .   16     ILE    HG13    .   6921    1    
    188     .   1    1    16     16     ILE    HG21    H    1     0.726      0.005     .   1    .   .   .   .   16     ILE    HG2     .   6921    1    
    189     .   1    1    16     16     ILE    HG22    H    1     0.726      0.005     .   1    .   .   .   .   16     ILE    HG2     .   6921    1    
    190     .   1    1    16     16     ILE    HG23    H    1     0.726      0.005     .   1    .   .   .   .   16     ILE    HG2     .   6921    1    
    191     .   1    1    16     16     ILE    HD11    H    1     0.729      0.007     .   1    .   .   .   .   16     ILE    HD1     .   6921    1    
    192     .   1    1    16     16     ILE    HD12    H    1     0.729      0.007     .   1    .   .   .   .   16     ILE    HD1     .   6921    1    
    193     .   1    1    16     16     ILE    HD13    H    1     0.729      0.007     .   1    .   .   .   .   16     ILE    HD1     .   6921    1    
    194     .   1    1    16     16     ILE    C       C    13    177.769    0.022     .   1    .   .   .   .   16     ILE    C       .   6921    1    
    195     .   1    1    16     16     ILE    CA      C    13    65.877     0.198     .   1    .   .   .   .   16     ILE    CA      .   6921    1    
    196     .   1    1    16     16     ILE    CB      C    13    39.373     0.177     .   1    .   .   .   .   16     ILE    CB      .   6921    1    
    197     .   1    1    16     16     ILE    CG1     C    13    29.132     0.248     .   1    .   .   .   .   16     ILE    CG1     .   6921    1    
    198     .   1    1    16     16     ILE    CG2     C    13    15.815     0.000     .   1    .   .   .   .   16     ILE    CG2     .   6921    1    
    199     .   1    1    16     16     ILE    CD1     C    13    16.318     0.258     .   1    .   .   .   .   16     ILE    CD1     .   6921    1    
    200     .   1    1    16     16     ILE    N       N    15    120.777    0.156     .   1    .   .   .   .   16     ILE    N       .   6921    1    
    201     .   1    1    17     17     GLN    H       H    1     8.109      0.016     .   1    .   .   .   .   17     GLN    H       .   6921    1    
    202     .   1    1    17     17     GLN    HA      H    1     4.321      0.014     .   1    .   .   .   .   17     GLN    HA      .   6921    1    
    203     .   1    1    17     17     GLN    HB2     H    1     2.114      0.014     .   2    .   .   .   .   17     GLN    HB2     .   6921    1    
    204     .   1    1    17     17     GLN    HB3     H    1     1.961      0.004     .   2    .   .   .   .   17     GLN    HB3     .   6921    1    
    205     .   1    1    17     17     GLN    HG2     H    1     2.547      0.008     .   2    .   .   .   .   17     GLN    HG2     .   6921    1    
    206     .   1    1    17     17     GLN    HG3     H    1     2.527      0.011     .   2    .   .   .   .   17     GLN    HG3     .   6921    1    
    207     .   1    1    17     17     GLN    HE21    H    1     6.683      0.015     .   2    .   .   .   .   17     GLN    HE21    .   6921    1    
    208     .   1    1    17     17     GLN    HE22    H    1     7.317      0.018     .   2    .   .   .   .   17     GLN    HE22    .   6921    1    
    209     .   1    1    17     17     GLN    C       C    13    177.061    0.003     .   1    .   .   .   .   17     GLN    C       .   6921    1    
    210     .   1    1    17     17     GLN    CA      C    13    58.079     0.255     .   1    .   .   .   .   17     GLN    CA      .   6921    1    
    211     .   1    1    17     17     GLN    CB      C    13    28.850     0.105     .   1    .   .   .   .   17     GLN    CB      .   6921    1    
    212     .   1    1    17     17     GLN    CG      C    13    34.555     0.107     .   1    .   .   .   .   17     GLN    CG      .   6921    1    
    213     .   1    1    17     17     GLN    CD      C    13    180.510    0.005     .   1    .   .   .   .   17     GLN    CD      .   6921    1    
    214     .   1    1    17     17     GLN    N       N    15    114.973    0.197     .   1    .   .   .   .   17     GLN    N       .   6921    1    
    215     .   1    1    17     17     GLN    NE2     N    15    109.492    0.265     .   1    .   .   .   .   17     GLN    NE2     .   6921    1    
    216     .   1    1    18     18     LYS    H       H    1     7.159      0.014     .   1    .   .   .   .   18     LYS    H       .   6921    1    
    217     .   1    1    18     18     LYS    HA      H    1     4.030      0.009     .   1    .   .   .   .   18     LYS    HA      .   6921    1    
    218     .   1    1    18     18     LYS    HB2     H    1     1.580      0.011     .   2    .   .   .   .   18     LYS    HB2     .   6921    1    
    219     .   1    1    18     18     LYS    HB3     H    1     1.393      0.049     .   2    .   .   .   .   18     LYS    HB3     .   6921    1    
    220     .   1    1    18     18     LYS    HG2     H    1     1.354      0.005     .   2    .   .   .   .   18     LYS    HG2     .   6921    1    
    221     .   1    1    18     18     LYS    HG3     H    1     1.356      0.000     .   2    .   .   .   .   18     LYS    HG3     .   6921    1    
    222     .   1    1    18     18     LYS    HD2     H    1     1.587      0.002     .   2    .   .   .   .   18     LYS    HD2     .   6921    1    
    223     .   1    1    18     18     LYS    HD3     H    1     1.597      0.008     .   2    .   .   .   .   18     LYS    HD3     .   6921    1    
    224     .   1    1    18     18     LYS    HE2     H    1     2.905      0.009     .   2    .   .   .   .   18     LYS    HE2     .   6921    1    
    225     .   1    1    18     18     LYS    HE3     H    1     2.915      0.008     .   2    .   .   .   .   18     LYS    HE3     .   6921    1    
    226     .   1    1    18     18     LYS    C       C    13    177.734    0.074     .   1    .   .   .   .   18     LYS    C       .   6921    1    
    227     .   1    1    18     18     LYS    CA      C    13    57.063     0.199     .   1    .   .   .   .   18     LYS    CA      .   6921    1    
    228     .   1    1    18     18     LYS    CB      C    13    32.522     0.111     .   1    .   .   .   .   18     LYS    CB      .   6921    1    
    229     .   1    1    18     18     LYS    CG      C    13    25.204     0.024     .   1    .   .   .   .   18     LYS    CG      .   6921    1    
    230     .   1    1    18     18     LYS    CD      C    13    25.004     0.145     .   1    .   .   .   .   18     LYS    CD      .   6921    1    
    231     .   1    1    18     18     LYS    CE      C    13    42.279     0.070     .   1    .   .   .   .   18     LYS    CE      .   6921    1    
    232     .   1    1    18     18     LYS    N       N    15    114.082    0.188     .   1    .   .   .   .   18     LYS    N       .   6921    1    
    233     .   1    1    19     19     HIS    H       H    1     7.773      0.016     .   1    .   .   .   .   19     HIS    H       .   6921    1    
    234     .   1    1    19     19     HIS    HA      H    1     3.988      0.014     .   1    .   .   .   .   19     HIS    HA      .   6921    1    
    235     .   1    1    19     19     HIS    HB2     H    1     2.285      0.020     .   2    .   .   .   .   19     HIS    HB2     .   6921    1    
    236     .   1    1    19     19     HIS    HB3     H    1     1.845      0.010     .   2    .   .   .   .   19     HIS    HB3     .   6921    1    
    237     .   1    1    19     19     HIS    C       C    13    174.041    0.004     .   1    .   .   .   .   19     HIS    C       .   6921    1    
    238     .   1    1    19     19     HIS    CA      C    13    53.716     0.132     .   1    .   .   .   .   19     HIS    CA      .   6921    1    
    239     .   1    1    19     19     HIS    CB      C    13    25.568     0.109     .   1    .   .   .   .   19     HIS    CB      .   6921    1    
    240     .   1    1    19     19     HIS    N       N    15    121.141    0.130     .   1    .   .   .   .   19     HIS    N       .   6921    1    
    241     .   1    1    20     20     ASN    H       H    1     7.422      0.015     .   1    .   .   .   .   20     ASN    H       .   6921    1    
    242     .   1    1    20     20     ASN    HA      H    1     4.684      0.012     .   1    .   .   .   .   20     ASN    HA      .   6921    1    
    243     .   1    1    20     20     ASN    HB2     H    1     2.252      0.016     .   2    .   .   .   .   20     ASN    HB2     .   6921    1    
    244     .   1    1    20     20     ASN    HB3     H    1     2.975      0.019     .   2    .   .   .   .   20     ASN    HB3     .   6921    1    
    245     .   1    1    20     20     ASN    HD21    H    1     7.440      0.018     .   2    .   .   .   .   20     ASN    HD21    .   6921    1    
    246     .   1    1    20     20     ASN    HD22    H    1     6.509      0.013     .   2    .   .   .   .   20     ASN    HD22    .   6921    1    
    247     .   1    1    20     20     ASN    C       C    13    175.230    0.066     .   1    .   .   .   .   20     ASN    C       .   6921    1    
    248     .   1    1    20     20     ASN    CA      C    13    51.301     0.142     .   1    .   .   .   .   20     ASN    CA      .   6921    1    
    249     .   1    1    20     20     ASN    CB      C    13    38.553     0.077     .   1    .   .   .   .   20     ASN    CB      .   6921    1    
    250     .   1    1    20     20     ASN    N       N    15    117.483    0.173     .   1    .   .   .   .   20     ASN    N       .   6921    1    
    251     .   1    1    20     20     ASN    ND2     N    15    108.630    0.312     .   1    .   .   .   .   20     ASN    ND2     .   6921    1    
    252     .   1    1    21     21     HIS    H       H    1     7.521      0.018     .   1    .   .   .   .   21     HIS    H       .   6921    1    
    253     .   1    1    21     21     HIS    HA      H    1     5.109      0.012     .   1    .   .   .   .   21     HIS    HA      .   6921    1    
    254     .   1    1    21     21     HIS    HB2     H    1     3.313      0.011     .   2    .   .   .   .   21     HIS    HB2     .   6921    1    
    255     .   1    1    21     21     HIS    HB3     H    1     2.974      0.011     .   2    .   .   .   .   21     HIS    HB3     .   6921    1    
    256     .   1    1    21     21     HIS    HD2     H    1     7.256      0.005     .   1    .   .   .   .   21     HIS    HD2     .   6921    1    
    257     .   1    1    21     21     HIS    HE1     H    1     7.539      0.002     .   1    .   .   .   .   21     HIS    HE1     .   6921    1    
    258     .   1    1    21     21     HIS    C       C    13    177.417    0.076     .   1    .   .   .   .   21     HIS    C       .   6921    1    
    259     .   1    1    21     21     HIS    CA      C    13    54.640     0.083     .   1    .   .   .   .   21     HIS    CA      .   6921    1    
    260     .   1    1    21     21     HIS    CB      C    13    34.135     0.207     .   1    .   .   .   .   21     HIS    CB      .   6921    1    
    261     .   1    1    21     21     HIS    CD2     C    13    119.537    0.047     .   1    .   .   .   .   21     HIS    CD2     .   6921    1    
    262     .   1    1    21     21     HIS    CE1     C    13    139.713    0.018     .   1    .   .   .   .   21     HIS    CE1     .   6921    1    
    263     .   1    1    21     21     HIS    N       N    15    116.450    0.172     .   1    .   .   .   .   21     HIS    N       .   6921    1    
    264     .   1    1    22     22     SER    HA      H    1     5.044      0.018     .   1    .   .   .   .   22     SER    HA      .   6921    1    
    265     .   1    1    22     22     SER    C       C    13    174.611    0.149     .   1    .   .   .   .   22     SER    C       .   6921    1    
    266     .   1    1    22     22     SER    CA      C    13    59.103     0.145     .   1    .   .   .   .   22     SER    CA      .   6921    1    
    267     .   1    1    22     22     SER    CB      C    13    64.319     0.2151    .   1    .   .   .   .   22     SER    CB      .   6921    1    
    268     .   1    1    23     23     LYS    H       H    1     8.419      0.010     .   1    .   .   .   .   23     LYS    H       .   6921    1    
    269     .   1    1    23     23     LYS    HA      H    1     4.550      0.008     .   1    .   .   .   .   23     LYS    HA      .   6921    1    
    270     .   1    1    23     23     LYS    HB2     H    1     2.166      0.016     .   2    .   .   .   .   23     LYS    HB2     .   6921    1    
    271     .   1    1    23     23     LYS    HB3     H    1     1.911      0.008     .   2    .   .   .   .   23     LYS    HB3     .   6921    1    
    272     .   1    1    23     23     LYS    HG2     H    1     1.555      0.023     .   2    .   .   .   .   23     LYS    HG2     .   6921    1    
    273     .   1    1    23     23     LYS    HG3     H    1     1.569      0.024     .   2    .   .   .   .   23     LYS    HG3     .   6921    1    
    274     .   1    1    23     23     LYS    HD2     H    1     1.747      0.017     .   2    .   .   .   .   23     LYS    HD2     .   6921    1    
    275     .   1    1    23     23     LYS    HD3     H    1     1.754      0.003     .   2    .   .   .   .   23     LYS    HD3     .   6921    1    
    276     .   1    1    23     23     LYS    HE2     H    1     3.056      0.006     .   2    .   .   .   .   23     LYS    HE2     .   6921    1    
    277     .   1    1    23     23     LYS    HE3     H    1     3.049      0.006     .   2    .   .   .   .   23     LYS    HE3     .   6921    1    
    278     .   1    1    23     23     LYS    C       C    13    176.824    0.004     .   1    .   .   .   .   23     LYS    C       .   6921    1    
    279     .   1    1    23     23     LYS    CA      C    13    56.321     0.196     .   1    .   .   .   .   23     LYS    CA      .   6921    1    
    280     .   1    1    23     23     LYS    CB      C    13    32.735     0.179     .   1    .   .   .   .   23     LYS    CB      .   6921    1    
    281     .   1    1    23     23     LYS    CG      C    13    25.344     0.272     .   1    .   .   .   .   23     LYS    CG      .   6921    1    
    282     .   1    1    23     23     LYS    CD      C    13    28.827     0.134     .   1    .   .   .   .   23     LYS    CD      .   6921    1    
    283     .   1    1    23     23     LYS    CE      C    13    42.255     0.125     .   1    .   .   .   .   23     LYS    CE      .   6921    1    
    284     .   1    1    23     23     LYS    N       N    15    117.640    0.184     .   1    .   .   .   .   23     LYS    N       .   6921    1    
    285     .   1    1    24     24     SER    H       H    1     7.050      0.019     .   1    .   .   .   .   24     SER    H       .   6921    1    
    286     .   1    1    24     24     SER    HA      H    1     4.723      0.011     .   1    .   .   .   .   24     SER    HA      .   6921    1    
    287     .   1    1    24     24     SER    HB2     H    1     3.880      0.012     .   2    .   .   .   .   24     SER    HB2     .   6921    1    
    288     .   1    1    24     24     SER    HB3     H    1     3.285      0.017     .   2    .   .   .   .   24     SER    HB3     .   6921    1    
    289     .   1    1    24     24     SER    C       C    13    172.236    0.042     .   1    .   .   .   .   24     SER    C       .   6921    1    
    290     .   1    1    24     24     SER    CA      C    13    58.504     0.188     .   1    .   .   .   .   24     SER    CA      .   6921    1    
    291     .   1    1    24     24     SER    CB      C    13    61.649     0.215     .   1    .   .   .   .   24     SER    CB      .   6921    1    
    292     .   1    1    24     24     SER    N       N    15    114.625    0.156     .   1    .   .   .   .   24     SER    N       .   6921    1    
    293     .   1    1    25     25     THR    H       H    1     8.855      0.014     .   1    .   .   .   .   25     THR    H       .   6921    1    
    294     .   1    1    25     25     THR    HA      H    1     4.274      0.012     .   1    .   .   .   .   25     THR    HA      .   6921    1    
    295     .   1    1    25     25     THR    HB      H    1     3.639      0.008     .   1    .   .   .   .   25     THR    HB      .   6921    1    
    296     .   1    1    25     25     THR    HG21    H    1     0.809      0.011     .   1    .   .   .   .   25     THR    HG2     .   6921    1    
    297     .   1    1    25     25     THR    HG22    H    1     0.809      0.011     .   1    .   .   .   .   25     THR    HG2     .   6921    1    
    298     .   1    1    25     25     THR    HG23    H    1     0.809      0.011     .   1    .   .   .   .   25     THR    HG2     .   6921    1    
    299     .   1    1    25     25     THR    C       C    13    172.501    0.001     .   1    .   .   .   .   25     THR    C       .   6921    1    
    300     .   1    1    25     25     THR    CA      C    13    62.797     0.125     .   1    .   .   .   .   25     THR    CA      .   6921    1    
    301     .   1    1    25     25     THR    CB      C    13    71.776     0.391     .   1    .   .   .   .   25     THR    CB      .   6921    1    
    302     .   1    1    25     25     THR    CG2     C    13    21.246     0.095     .   1    .   .   .   .   25     THR    CG2     .   6921    1    
    303     .   1    1    25     25     THR    N       N    15    124.483    0.178     .   1    .   .   .   .   25     THR    N       .   6921    1    
    304     .   1    1    26     26     TRP    H       H    1     8.805      0.016     .   1    .   .   .   .   26     TRP    H       .   6921    1    
    305     .   1    1    26     26     TRP    HA      H    1     6.160      0.015     .   1    .   .   .   .   26     TRP    HA      .   6921    1    
    306     .   1    1    26     26     TRP    HB2     H    1     2.985      0.018     .   2    .   .   .   .   26     TRP    HB2     .   6921    1    
    307     .   1    1    26     26     TRP    HB3     H    1     2.715      0.012     .   2    .   .   .   .   26     TRP    HB3     .   6921    1    
    308     .   1    1    26     26     TRP    HD1     H    1     6.713      0.010     .   1    .   .   .   .   26     TRP    HD1     .   6921    1    
    309     .   1    1    26     26     TRP    HE1     H    1     8.693      0.009     .   1    .   .   .   .   26     TRP    HE1     .   6921    1    
    310     .   1    1    26     26     TRP    HE3     H    1     6.590      0.018     .   1    .   .   .   .   26     TRP    HE3     .   6921    1    
    311     .   1    1    26     26     TRP    HZ2     H    1     6.622      0.007     .   1    .   .   .   .   26     TRP    HZ2     .   6921    1    
    312     .   1    1    26     26     TRP    HZ3     H    1     5.754      0.006     .   1    .   .   .   .   26     TRP    HZ3     .   6921    1    
    313     .   1    1    26     26     TRP    HH2     H    1     6.363      0.006     .   1    .   .   .   .   26     TRP    HH2     .   6921    1    
    314     .   1    1    26     26     TRP    C       C    13    175.686    0.007     .   1    .   .   .   .   26     TRP    C       .   6921    1    
    315     .   1    1    26     26     TRP    CA      C    13    52.457     0.096     .   1    .   .   .   .   26     TRP    CA      .   6921    1    
    316     .   1    1    26     26     TRP    CB      C    13    33.328     0.081     .   1    .   .   .   .   26     TRP    CB      .   6921    1    
    317     .   1    1    26     26     TRP    CD1     C    13    121.861    0.163     .   1    .   .   .   .   26     TRP    CD1     .   6921    1    
    318     .   1    1    26     26     TRP    CE3     C    13    119.287    0.092     .   1    .   .   .   .   26     TRP    CE3     .   6921    1    
    319     .   1    1    26     26     TRP    CZ2     C    13    113.677    0.203     .   1    .   .   .   .   26     TRP    CZ2     .   6921    1    
    320     .   1    1    26     26     TRP    CZ3     C    13    119.555    0.079     .   1    .   .   .   .   26     TRP    CZ3     .   6921    1    
    321     .   1    1    26     26     TRP    CH2     C    13    124.972    0.039     .   1    .   .   .   .   26     TRP    CH2     .   6921    1    
    322     .   1    1    26     26     TRP    N       N    15    126.470    0.154     .   1    .   .   .   .   26     TRP    N       .   6921    1    
    323     .   1    1    26     26     TRP    NE1     N    15    124.343    0.161     .   1    .   .   .   .   26     TRP    NE1     .   6921    1    
    324     .   1    1    27     27     LEU    H       H    1     8.483      0.015     .   1    .   .   .   .   27     LEU    H       .   6921    1    
    325     .   1    1    27     27     LEU    HA      H    1     4.475      0.008     .   1    .   .   .   .   27     LEU    HA      .   6921    1    
    326     .   1    1    27     27     LEU    HB2     H    1     1.211      0.013     .   2    .   .   .   .   27     LEU    HB2     .   6921    1    
    327     .   1    1    27     27     LEU    HB3     H    1     0.747      0.011     .   2    .   .   .   .   27     LEU    HB3     .   6921    1    
    328     .   1    1    27     27     LEU    HG      H    1     -0.458     0.007     .   1    .   .   .   .   27     LEU    HG      .   6921    1    
    329     .   1    1    27     27     LEU    HD11    H    1     -0.611     0.007     .   2    .   .   .   .   27     LEU    HD1     .   6921    1    
    330     .   1    1    27     27     LEU    HD12    H    1     -0.611     0.007     .   2    .   .   .   .   27     LEU    HD1     .   6921    1    
    331     .   1    1    27     27     LEU    HD13    H    1     -0.611     0.007     .   2    .   .   .   .   27     LEU    HD1     .   6921    1    
    332     .   1    1    27     27     LEU    HD21    H    1     0.814      0.008     .   2    .   .   .   .   27     LEU    HD2     .   6921    1    
    333     .   1    1    27     27     LEU    HD22    H    1     0.814      0.008     .   2    .   .   .   .   27     LEU    HD2     .   6921    1    
    334     .   1    1    27     27     LEU    HD23    H    1     0.814      0.008     .   2    .   .   .   .   27     LEU    HD2     .   6921    1    
    335     .   1    1    27     27     LEU    C       C    13    174.227    0.004     .   1    .   .   .   .   27     LEU    C       .   6921    1    
    336     .   1    1    27     27     LEU    CA      C    13    54.531     0.135     .   1    .   .   .   .   27     LEU    CA      .   6921    1    
    337     .   1    1    27     27     LEU    CB      C    13    45.262     0.053     .   1    .   .   .   .   27     LEU    CB      .   6921    1    
    338     .   1    1    27     27     LEU    CG      C    13    23.271     0.140     .   1    .   .   .   .   27     LEU    CG      .   6921    1    
    339     .   1    1    27     27     LEU    CD1     C    13    26.223     0.112     .   1    .   .   .   .   27     LEU    CD1     .   6921    1    
    340     .   1    1    27     27     LEU    CD2     C    13    26.318     0.063     .   1    .   .   .   .   27     LEU    CD2     .   6921    1    
    341     .   1    1    27     27     LEU    N       N    15    115.927    0.154     .   1    .   .   .   .   27     LEU    N       .   6921    1    
    342     .   1    1    28     28     ILE    H       H    1     8.012      0.018     .   1    .   .   .   .   28     ILE    H       .   6921    1    
    343     .   1    1    28     28     ILE    HA      H    1     4.984      0.011     .   1    .   .   .   .   28     ILE    HA      .   6921    1    
    344     .   1    1    28     28     ILE    HB      H    1     1.382      0.013     .   1    .   .   .   .   28     ILE    HB      .   6921    1    
    345     .   1    1    28     28     ILE    HG12    H    1     1.282      0.014     .   2    .   .   .   .   28     ILE    HG12    .   6921    1    
    346     .   1    1    28     28     ILE    HG13    H    1     0.526      0.009     .   2    .   .   .   .   28     ILE    HG13    .   6921    1    
    347     .   1    1    28     28     ILE    HG21    H    1     0.667      0.011     .   1    .   .   .   .   28     ILE    HG2     .   6921    1    
    348     .   1    1    28     28     ILE    HG22    H    1     0.667      0.011     .   1    .   .   .   .   28     ILE    HG2     .   6921    1    
    349     .   1    1    28     28     ILE    HG23    H    1     0.667      0.011     .   1    .   .   .   .   28     ILE    HG2     .   6921    1    
    350     .   1    1    28     28     ILE    HD11    H    1     0.732      0.015     .   1    .   .   .   .   28     ILE    HD1     .   6921    1    
    351     .   1    1    28     28     ILE    HD12    H    1     0.732      0.015     .   1    .   .   .   .   28     ILE    HD1     .   6921    1    
    352     .   1    1    28     28     ILE    HD13    H    1     0.732      0.015     .   1    .   .   .   .   28     ILE    HD1     .   6921    1    
    353     .   1    1    28     28     ILE    C       C    13    174.914    0.009     .   1    .   .   .   .   28     ILE    C       .   6921    1    
    354     .   1    1    28     28     ILE    CA      C    13    59.378     0.185     .   1    .   .   .   .   28     ILE    CA      .   6921    1    
    355     .   1    1    28     28     ILE    CB      C    13    40.580     0.054     .   1    .   .   .   .   28     ILE    CB      .   6921    1    
    356     .   1    1    28     28     ILE    CG1     C    13    27.730     0.179     .   1    .   .   .   .   28     ILE    CG1     .   6921    1    
    357     .   1    1    28     28     ILE    CG2     C    13    17.919     0.198     .   1    .   .   .   .   28     ILE    CG2     .   6921    1    
    358     .   1    1    28     28     ILE    CD1     C    13    15.519     0.116     .   1    .   .   .   .   28     ILE    CD1     .   6921    1    
    359     .   1    1    28     28     ILE    N       N    15    120.257    0.153     .   1    .   .   .   .   28     ILE    N       .   6921    1    
    360     .   1    1    29     29     LEU    H       H    1     8.385      0.015     .   1    .   .   .   .   29     LEU    H       .   6921    1    
    361     .   1    1    29     29     LEU    HA      H    1     4.391      0.009     .   1    .   .   .   .   29     LEU    HA      .   6921    1    
    362     .   1    1    29     29     LEU    HB2     H    1     1.262      0.007     .   2    .   .   .   .   29     LEU    HB2     .   6921    1    
    363     .   1    1    29     29     LEU    HB3     H    1     0.203      0.015     .   2    .   .   .   .   29     LEU    HB3     .   6921    1    
    364     .   1    1    29     29     LEU    HG      H    1     -1.954     0.010     .   1    .   .   .   .   29     LEU    HG      .   6921    1    
    365     .   1    1    29     29     LEU    HD11    H    1     -0.059     0.006     .   2    .   .   .   .   29     LEU    HD1     .   6921    1    
    366     .   1    1    29     29     LEU    HD12    H    1     -0.059     0.006     .   2    .   .   .   .   29     LEU    HD1     .   6921    1    
    367     .   1    1    29     29     LEU    HD13    H    1     -0.059     0.006     .   2    .   .   .   .   29     LEU    HD1     .   6921    1    
    368     .   1    1    29     29     LEU    HD21    H    1     -0.776     0.010     .   2    .   .   .   .   29     LEU    HD2     .   6921    1    
    369     .   1    1    29     29     LEU    HD22    H    1     -0.776     0.010     .   2    .   .   .   .   29     LEU    HD2     .   6921    1    
    370     .   1    1    29     29     LEU    HD23    H    1     -0.776     0.010     .   2    .   .   .   .   29     LEU    HD2     .   6921    1    
    371     .   1    1    29     29     LEU    C       C    13    177.321    0.064     .   1    .   .   .   .   29     LEU    C       .   6921    1    
    372     .   1    1    29     29     LEU    CA      C    13    53.408     0.122     .   1    .   .   .   .   29     LEU    CA      .   6921    1    
    373     .   1    1    29     29     LEU    CB      C    13    43.504     0.086     .   1    .   .   .   .   29     LEU    CB      .   6921    1    
    374     .   1    1    29     29     LEU    CG      C    13    23.058     0.100     .   1    .   .   .   .   29     LEU    CG      .   6921    1    
    375     .   1    1    29     29     LEU    CD1     C    13    24.811     0.077     .   1    .   .   .   .   29     LEU    CD1     .   6921    1    
    376     .   1    1    29     29     LEU    CD2     C    13    24.940     0.092     .   1    .   .   .   .   29     LEU    CD2     .   6921    1    
    377     .   1    1    29     29     LEU    N       N    15    121.490    0.159     .   1    .   .   .   .   29     LEU    N       .   6921    1    
    378     .   1    1    30     30     HIS    H       H    1     9.243      0.019     .   1    .   .   .   .   30     HIS    H       .   6921    1    
    379     .   1    1    30     30     HIS    HA      H    1     3.793      0.018     .   1    .   .   .   .   30     HIS    HA      .   6921    1    
    380     .   1    1    30     30     HIS    HB2     H    1     3.099      0.026     .   1    .   .   .   .   30     HIS    HB2     .   6921    1    
    381     .   1    1    30     30     HIS    HB3     H    1     3.099      0.022     .   1    .   .   .   .   30     HIS    HB3     .   6921    1    
    382     .   1    1    30     30     HIS    HD2     H    1     7.003      0.013     .   1    .   .   .   .   30     HIS    HD2     .   6921    1    
    383     .   1    1    30     30     HIS    C       C    13    174.732    0.020     .   1    .   .   .   .   30     HIS    C       .   6921    1    
    384     .   1    1    30     30     HIS    CA      C    13    57.340     0.139     .   1    .   .   .   .   30     HIS    CA      .   6921    1    
    385     .   1    1    30     30     HIS    CB      C    13    28.113     0.282     .   1    .   .   .   .   30     HIS    CB      .   6921    1    
    386     .   1    1    30     30     HIS    CD2     C    13    119.772    0.070     .   1    .   .   .   .   30     HIS    CD2     .   6921    1    
    387     .   1    1    30     30     HIS    N       N    15    124.775    0.156     .   1    .   .   .   .   30     HIS    N       .   6921    1    
    388     .   1    1    31     31     HIS    H       H    1     8.498      0.021     .   1    .   .   .   .   31     HIS    H       .   6921    1    
    389     .   1    1    31     31     HIS    HA      H    1     3.866      0.011     .   1    .   .   .   .   31     HIS    HA      .   6921    1    
    390     .   1    1    31     31     HIS    HB2     H    1     3.659      0.014     .   2    .   .   .   .   31     HIS    HB2     .   6921    1    
    391     .   1    1    31     31     HIS    HB3     H    1     3.202      0.024     .   2    .   .   .   .   31     HIS    HB3     .   6921    1    
    392     .   1    1    31     31     HIS    HD2     H    1     6.861      0.012     .   1    .   .   .   .   31     HIS    HD2     .   6921    1    
    393     .   1    1    31     31     HIS    HE1     H    1     7.542      0.004     .   1    .   .   .   .   31     HIS    HE1     .   6921    1    
    394     .   1    1    31     31     HIS    C       C    13    173.405    0.000     .   1    .   .   .   .   31     HIS    C       .   6921    1    
    395     .   1    1    31     31     HIS    CA      C    13    58.595     0.227     .   1    .   .   .   .   31     HIS    CA      .   6921    1    
    396     .   1    1    31     31     HIS    CB      C    13    29.581     0.160     .   1    .   .   .   .   31     HIS    CB      .   6921    1    
    397     .   1    1    31     31     HIS    CD2     C    13    117.569    0.178     .   1    .   .   .   .   31     HIS    CD2     .   6921    1    
    398     .   1    1    31     31     HIS    CE1     C    13    139.691    0.029     .   1    .   .   .   .   31     HIS    CE1     .   6921    1    
    399     .   1    1    31     31     HIS    N       N    15    107.342    0.323     .   1    .   .   .   .   31     HIS    N       .   6921    1    
    400     .   1    1    32     32     LYS    H       H    1     8.247      0.026     .   1    .   .   .   .   32     LYS    H       .   6921    1    
    401     .   1    1    32     32     LYS    HA      H    1     4.749      0.012     .   1    .   .   .   .   32     LYS    HA      .   6921    1    
    402     .   1    1    32     32     LYS    HB2     H    1     2.118      0.015     .   2    .   .   .   .   32     LYS    HB2     .   6921    1    
    403     .   1    1    32     32     LYS    HB3     H    1     1.374      0.018     .   2    .   .   .   .   32     LYS    HB3     .   6921    1    
    404     .   1    1    32     32     LYS    HG2     H    1     1.575      0.006     .   2    .   .   .   .   32     LYS    HG2     .   6921    1    
    405     .   1    1    32     32     LYS    HG3     H    1     1.547      0.005     .   2    .   .   .   .   32     LYS    HG3     .   6921    1    
    406     .   1    1    32     32     LYS    HD2     H    1     1.637      0.009     .   2    .   .   .   .   32     LYS    HD2     .   6921    1    
    407     .   1    1    32     32     LYS    HD3     H    1     1.635      0.012     .   2    .   .   .   .   32     LYS    HD3     .   6921    1    
    408     .   1    1    32     32     LYS    HE2     H    1     3.032      0.010     .   2    .   .   .   .   32     LYS    HE2     .   6921    1    
    409     .   1    1    32     32     LYS    HE3     H    1     3.030      0.009     .   2    .   .   .   .   32     LYS    HE3     .   6921    1    
    410     .   1    1    32     32     LYS    C       C    13    173.402    0.000     .   1    .   .   .   .   32     LYS    C       .   6921    1    
    411     .   1    1    32     32     LYS    CA      C    13    55.805     0.172     .   1    .   .   .   .   32     LYS    CA      .   6921    1    
    412     .   1    1    32     32     LYS    CB      C    13    34.000     0.108     .   1    .   .   .   .   32     LYS    CB      .   6921    1    
    413     .   1    1    32     32     LYS    CG      C    13    25.977     0.228     .   1    .   .   .   .   32     LYS    CG      .   6921    1    
    414     .   1    1    32     32     LYS    CD      C    13    29.167     0.107     .   1    .   .   .   .   32     LYS    CD      .   6921    1    
    415     .   1    1    32     32     LYS    CE      C    13    42.324     0.113     .   1    .   .   .   .   32     LYS    CE      .   6921    1    
    416     .   1    1    32     32     LYS    N       N    15    121.288    0.145     .   1    .   .   .   .   32     LYS    N       .   6921    1    
    417     .   1    1    33     33     VAL    H       H    1     8.277      0.018     .   1    .   .   .   .   33     VAL    H       .   6921    1    
    418     .   1    1    33     33     VAL    HA      H    1     4.075      0.011     .   1    .   .   .   .   33     VAL    HA      .   6921    1    
    419     .   1    1    33     33     VAL    HB      H    1     1.041      0.015     .   1    .   .   .   .   33     VAL    HB      .   6921    1    
    420     .   1    1    33     33     VAL    HG11    H    1     0.557      0.007     .   2    .   .   .   .   33     VAL    HG1     .   6921    1    
    421     .   1    1    33     33     VAL    HG12    H    1     0.557      0.007     .   2    .   .   .   .   33     VAL    HG1     .   6921    1    
    422     .   1    1    33     33     VAL    HG13    H    1     0.557      0.007     .   2    .   .   .   .   33     VAL    HG1     .   6921    1    
    423     .   1    1    33     33     VAL    HG21    H    1     0.053      0.014     .   2    .   .   .   .   33     VAL    HG2     .   6921    1    
    424     .   1    1    33     33     VAL    HG22    H    1     0.053      0.014     .   2    .   .   .   .   33     VAL    HG2     .   6921    1    
    425     .   1    1    33     33     VAL    HG23    H    1     0.053      0.014     .   2    .   .   .   .   33     VAL    HG2     .   6921    1    
    426     .   1    1    33     33     VAL    C       C    13    173.479    0.010     .   1    .   .   .   .   33     VAL    C       .   6921    1    
    427     .   1    1    33     33     VAL    CA      C    13    61.714     0.331     .   1    .   .   .   .   33     VAL    CA      .   6921    1    
    428     .   1    1    33     33     VAL    CB      C    13    32.523     0.064     .   1    .   .   .   .   33     VAL    CB      .   6921    1    
    429     .   1    1    33     33     VAL    CG1     C    13    22.155     0.126     .   1    .   .   .   .   33     VAL    CG1     .   6921    1    
    430     .   1    1    33     33     VAL    CG2     C    13    22.306     0.113     .   1    .   .   .   .   33     VAL    CG2     .   6921    1    
    431     .   1    1    33     33     VAL    N       N    15    120.384    0.195     .   1    .   .   .   .   33     VAL    N       .   6921    1    
    432     .   1    1    34     34     TYR    H       H    1     8.821      0.016     .   1    .   .   .   .   34     TYR    H       .   6921    1    
    433     .   1    1    34     34     TYR    HA      H    1     4.429      0.013     .   1    .   .   .   .   34     TYR    HA      .   6921    1    
    434     .   1    1    34     34     TYR    HB2     H    1     2.089      0.010     .   2    .   .   .   .   34     TYR    HB2     .   6921    1    
    435     .   1    1    34     34     TYR    HB3     H    1     1.877      0.014     .   2    .   .   .   .   34     TYR    HB3     .   6921    1    
    436     .   1    1    34     34     TYR    HD1     H    1     6.597      0.005     .   3    .   .   .   .   34     TYR    HD1     .   6921    1    
    437     .   1    1    34     34     TYR    HD2     H    1     6.600      0.005     .   3    .   .   .   .   34     TYR    HD2     .   6921    1    
    438     .   1    1    34     34     TYR    HE1     H    1     6.481      0.010     .   3    .   .   .   .   34     TYR    HE1     .   6921    1    
    439     .   1    1    34     34     TYR    HE2     H    1     6.558      0.052     .   3    .   .   .   .   34     TYR    HE2     .   6921    1    
    440     .   1    1    34     34     TYR    C       C    13    174.695    0.022     .   1    .   .   .   .   34     TYR    C       .   6921    1    
    441     .   1    1    34     34     TYR    CA      C    13    56.225     0.094     .   1    .   .   .   .   34     TYR    CA      .   6921    1    
    442     .   1    1    34     34     TYR    CB      C    13    39.916     0.070     .   1    .   .   .   .   34     TYR    CB      .   6921    1    
    443     .   1    1    34     34     TYR    CD1     C    13    131.970    0.158     .   3    .   .   .   .   34     TYR    CD1     .   6921    1    
    444     .   1    1    34     34     TYR    CD2     C    13    131.778    0.081     .   3    .   .   .   .   34     TYR    CD2     .   6921    1    
    445     .   1    1    34     34     TYR    CE1     C    13    118.965    0.072     .   3    .   .   .   .   34     TYR    CE1     .   6921    1    
    446     .   1    1    34     34     TYR    CE2     C    13    118.784    0.000     .   3    .   .   .   .   34     TYR    CE2     .   6921    1    
    447     .   1    1    34     34     TYR    N       N    15    125.901    0.140     .   1    .   .   .   .   34     TYR    N       .   6921    1    
    448     .   1    1    35     35     ASP    H       H    1     8.158      0.017     .   1    .   .   .   .   35     ASP    H       .   6921    1    
    449     .   1    1    35     35     ASP    HA      H    1     4.981      0.015     .   1    .   .   .   .   35     ASP    HA      .   6921    1    
    450     .   1    1    35     35     ASP    HB2     H    1     2.906      0.013     .   2    .   .   .   .   35     ASP    HB2     .   6921    1    
    451     .   1    1    35     35     ASP    HB3     H    1     1.797      0.015     .   2    .   .   .   .   35     ASP    HB3     .   6921    1    
    452     .   1    1    35     35     ASP    C       C    13    177.753    1.078     .   1    .   .   .   .   35     ASP    C       .   6921    1    
    453     .   1    1    35     35     ASP    CA      C    13    52.982     0.131     .   1    .   .   .   .   35     ASP    CA      .   6921    1    
    454     .   1    1    35     35     ASP    CB      C    13    40.993     0.080     .   1    .   .   .   .   35     ASP    CB      .   6921    1    
    455     .   1    1    35     35     ASP    N       N    15    119.210    0.167     .   1    .   .   .   .   35     ASP    N       .   6921    1    
    456     .   1    1    36     36     LEU    H       H    1     8.356      0.017     .   1    .   .   .   .   36     LEU    H       .   6921    1    
    457     .   1    1    36     36     LEU    HA      H    1     4.275      0.011     .   1    .   .   .   .   36     LEU    HA      .   6921    1    
    458     .   1    1    36     36     LEU    HB2     H    1     1.671      0.015     .   2    .   .   .   .   36     LEU    HB2     .   6921    1    
    459     .   1    1    36     36     LEU    HB3     H    1     1.049      0.007     .   2    .   .   .   .   36     LEU    HB3     .   6921    1    
    460     .   1    1    36     36     LEU    HG      H    1     -0.483     0.007     .   1    .   .   .   .   36     LEU    HG      .   6921    1    
    461     .   1    1    36     36     LEU    HD11    H    1     0.977      0.012     .   2    .   .   .   .   36     LEU    HD1     .   6921    1    
    462     .   1    1    36     36     LEU    HD12    H    1     0.977      0.012     .   2    .   .   .   .   36     LEU    HD1     .   6921    1    
    463     .   1    1    36     36     LEU    HD13    H    1     0.977      0.012     .   2    .   .   .   .   36     LEU    HD1     .   6921    1    
    464     .   1    1    36     36     LEU    HD21    H    1     -0.070     0.010     .   2    .   .   .   .   36     LEU    HD2     .   6921    1    
    465     .   1    1    36     36     LEU    HD22    H    1     -0.070     0.010     .   2    .   .   .   .   36     LEU    HD2     .   6921    1    
    466     .   1    1    36     36     LEU    HD23    H    1     -0.070     0.010     .   2    .   .   .   .   36     LEU    HD2     .   6921    1    
    467     .   1    1    36     36     LEU    C       C    13    176.662    0.003     .   1    .   .   .   .   36     LEU    C       .   6921    1    
    468     .   1    1    36     36     LEU    CA      C    13    52.890     0.094     .   1    .   .   .   .   36     LEU    CA      .   6921    1    
    469     .   1    1    36     36     LEU    CB      C    13    42.285     0.064     .   1    .   .   .   .   36     LEU    CB      .   6921    1    
    470     .   1    1    36     36     LEU    CG      C    13    27.129     0.067     .   1    .   .   .   .   36     LEU    CG      .   6921    1    
    471     .   1    1    36     36     LEU    CD1     C    13    26.357     0.170     .   1    .   .   .   .   36     LEU    CD1     .   6921    1    
    472     .   1    1    36     36     LEU    CD2     C    13    24.115     0.152     .   1    .   .   .   .   36     LEU    CD2     .   6921    1    
    473     .   1    1    36     36     LEU    N       N    15    122.160    0.156     .   1    .   .   .   .   36     LEU    N       .   6921    1    
    474     .   1    1    37     37     THR    H       H    1     8.664      0.009     .   1    .   .   .   .   37     THR    H       .   6921    1    
    475     .   1    1    37     37     THR    HA      H    1     3.709      0.012     .   1    .   .   .   .   37     THR    HA      .   6921    1    
    476     .   1    1    37     37     THR    HB      H    1     4.309      0.018     .   1    .   .   .   .   37     THR    HB      .   6921    1    
    477     .   1    1    37     37     THR    HG21    H    1     1.334      0.013     .   1    .   .   .   .   37     THR    HG2     .   6921    1    
    478     .   1    1    37     37     THR    HG22    H    1     1.334      0.013     .   1    .   .   .   .   37     THR    HG2     .   6921    1    
    479     .   1    1    37     37     THR    HG23    H    1     1.334      0.013     .   1    .   .   .   .   37     THR    HG2     .   6921    1    
    480     .   1    1    37     37     THR    C       C    13    176.512    0.220     .   1    .   .   .   .   37     THR    C       .   6921    1    
    481     .   1    1    37     37     THR    CA      C    13    69.452     0.245     .   1    .   .   .   .   37     THR    CA      .   6921    1    
    482     .   1    1    37     37     THR    CB      C    13    69.459     0.174     .   1    .   .   .   .   37     THR    CB      .   6921    1    
    483     .   1    1    37     37     THR    CG2     C    13    21.494     0.313     .   1    .   .   .   .   37     THR    CG2     .   6921    1    
    484     .   1    1    37     37     THR    N       N    15    118.799    0.160     .   1    .   .   .   .   37     THR    N       .   6921    1    
    485     .   1    1    38     38     LYS    H       H    1     8.919      0.013     .   1    .   .   .   .   38     LYS    H       .   6921    1    
    486     .   1    1    38     38     LYS    HA      H    1     4.571      0.008     .   1    .   .   .   .   38     LYS    HA      .   6921    1    
    487     .   1    1    38     38     LYS    HB2     H    1     2.210      0.015     .   2    .   .   .   .   38     LYS    HB2     .   6921    1    
    488     .   1    1    38     38     LYS    HB3     H    1     1.996      0.025     .   2    .   .   .   .   38     LYS    HB3     .   6921    1    
    489     .   1    1    38     38     LYS    HG2     H    1     1.754      0.121     .   2    .   .   .   .   38     LYS    HG2     .   6921    1    
    490     .   1    1    38     38     LYS    HG3     H    1     1.680      0.016     .   2    .   .   .   .   38     LYS    HG3     .   6921    1    
    491     .   1    1    38     38     LYS    HD2     H    1     1.893      0.008     .   2    .   .   .   .   38     LYS    HD2     .   6921    1    
    492     .   1    1    38     38     LYS    HD3     H    1     1.892      0.008     .   2    .   .   .   .   38     LYS    HD3     .   6921    1    
    493     .   1    1    38     38     LYS    HE2     H    1     3.175      0.008     .   2    .   .   .   .   38     LYS    HE2     .   6921    1    
    494     .   1    1    38     38     LYS    HE3     H    1     3.166      0.014     .   2    .   .   .   .   38     LYS    HE3     .   6921    1    
    495     .   1    1    38     38     LYS    C       C    13    176.692    0.010     .   1    .   .   .   .   38     LYS    C       .   6921    1    
    496     .   1    1    38     38     LYS    CA      C    13    57.595     0.162     .   1    .   .   .   .   38     LYS    CA      .   6921    1    
    497     .   1    1    38     38     LYS    CB      C    13    32.244     0.231     .   1    .   .   .   .   38     LYS    CB      .   6921    1    
    498     .   1    1    38     38     LYS    CG      C    13    25.331     0.115     .   1    .   .   .   .   38     LYS    CG      .   6921    1    
    499     .   1    1    38     38     LYS    CD      C    13    28.947     0.105     .   1    .   .   .   .   38     LYS    CD      .   6921    1    
    500     .   1    1    38     38     LYS    CE      C    13    42.134     0.072     .   1    .   .   .   .   38     LYS    CE      .   6921    1    
    501     .   1    1    38     38     LYS    N       N    15    116.680    0.186     .   1    .   .   .   .   38     LYS    N       .   6921    1    
    502     .   1    1    39     39     PHE    H       H    1     8.104      0.014     .   1    .   .   .   .   39     PHE    H       .   6921    1    
    503     .   1    1    39     39     PHE    HA      H    1     5.158      0.010     .   1    .   .   .   .   39     PHE    HA      .   6921    1    
    504     .   1    1    39     39     PHE    HB2     H    1     2.861      0.010     .   2    .   .   .   .   39     PHE    HB2     .   6921    1    
    505     .   1    1    39     39     PHE    HB3     H    1     2.594      0.012     .   2    .   .   .   .   39     PHE    HB3     .   6921    1    
    506     .   1    1    39     39     PHE    HD1     H    1     7.535      0.005     .   1    .   .   .   .   39     PHE    HD1     .   6921    1    
    507     .   1    1    39     39     PHE    HD2     H    1     7.530      0.007     .   1    .   .   .   .   39     PHE    HD2     .   6921    1    
    508     .   1    1    39     39     PHE    HE1     H    1     8.339      0.003     .   1    .   .   .   .   39     PHE    HE1     .   6921    1    
    509     .   1    1    39     39     PHE    HE2     H    1     8.343      0.000     .   1    .   .   .   .   39     PHE    HE2     .   6921    1    
    510     .   1    1    39     39     PHE    HZ      H    1     7.821      0.002     .   1    .   .   .   .   39     PHE    HZ      .   6921    1    
    511     .   1    1    39     39     PHE    C       C    13    176.336    0.069     .   1    .   .   .   .   39     PHE    C       .   6921    1    
    512     .   1    1    39     39     PHE    CA      C    13    57.457     0.208     .   1    .   .   .   .   39     PHE    CA      .   6921    1    
    513     .   1    1    39     39     PHE    CB      C    13    42.018     0.121     .   1    .   .   .   .   39     PHE    CB      .   6921    1    
    514     .   1    1    39     39     PHE    CD1     C    13    133.549    0.074     .   1    .   .   .   .   39     PHE    CD1     .   6921    1    
    515     .   1    1    39     39     PHE    CD2     C    13    133.500    0.107     .   1    .   .   .   .   39     PHE    CD2     .   6921    1    
    516     .   1    1    39     39     PHE    CE1     C    13    129.744    0.019     .   1    .   .   .   .   39     PHE    CE1     .   6921    1    
    517     .   1    1    39     39     PHE    CE2     C    13    129.734    0.000     .   1    .   .   .   .   39     PHE    CE2     .   6921    1    
    518     .   1    1    39     39     PHE    CZ      C    13    129.681    0.006     .   1    .   .   .   .   39     PHE    CZ      .   6921    1    
    519     .   1    1    39     39     PHE    N       N    15    119.477    0.197     .   1    .   .   .   .   39     PHE    N       .   6921    1    
    520     .   1    1    40     40     LEU    H       H    1     7.808      0.015     .   1    .   .   .   .   40     LEU    H       .   6921    1    
    521     .   1    1    40     40     LEU    HA      H    1     4.763      0.009     .   1    .   .   .   .   40     LEU    HA      .   6921    1    
    522     .   1    1    40     40     LEU    HB2     H    1     2.375      0.008     .   2    .   .   .   .   40     LEU    HB2     .   6921    1    
    523     .   1    1    40     40     LEU    HB3     H    1     2.082      0.009     .   2    .   .   .   .   40     LEU    HB3     .   6921    1    
    524     .   1    1    40     40     LEU    HG      H    1     2.469      0.006     .   1    .   .   .   .   40     LEU    HG      .   6921    1    
    525     .   1    1    40     40     LEU    HD11    H    1     1.279      0.013     .   2    .   .   .   .   40     LEU    HD1     .   6921    1    
    526     .   1    1    40     40     LEU    HD12    H    1     1.279      0.013     .   2    .   .   .   .   40     LEU    HD1     .   6921    1    
    527     .   1    1    40     40     LEU    HD13    H    1     1.279      0.013     .   2    .   .   .   .   40     LEU    HD1     .   6921    1    
    528     .   1    1    40     40     LEU    HD21    H    1     1.192      0.008     .   2    .   .   .   .   40     LEU    HD2     .   6921    1    
    529     .   1    1    40     40     LEU    HD22    H    1     1.192      0.008     .   2    .   .   .   .   40     LEU    HD2     .   6921    1    
    530     .   1    1    40     40     LEU    HD23    H    1     1.192      0.008     .   2    .   .   .   .   40     LEU    HD2     .   6921    1    
    531     .   1    1    40     40     LEU    C       C    13    178.407    0.053     .   1    .   .   .   .   40     LEU    C       .   6921    1    
    532     .   1    1    40     40     LEU    CA      C    13    60.519     0.247     .   1    .   .   .   .   40     LEU    CA      .   6921    1    
    533     .   1    1    40     40     LEU    CB      C    13    43.040     0.104     .   1    .   .   .   .   40     LEU    CB      .   6921    1    
    534     .   1    1    40     40     LEU    CG      C    13    27.121     0.083     .   1    .   .   .   .   40     LEU    CG      .   6921    1    
    535     .   1    1    40     40     LEU    CD1     C    13    25.774     0.127     .   1    .   .   .   .   40     LEU    CD1     .   6921    1    
    536     .   1    1    40     40     LEU    CD2     C    13    24.751     0.077     .   1    .   .   .   .   40     LEU    CD2     .   6921    1    
    537     .   1    1    40     40     LEU    N       N    15    118.961    0.173     .   1    .   .   .   .   40     LEU    N       .   6921    1    
    538     .   1    1    41     41     GLU    H       H    1     8.523      0.012     .   1    .   .   .   .   41     GLU    H       .   6921    1    
    539     .   1    1    41     41     GLU    HA      H    1     4.873      0.014     .   1    .   .   .   .   41     GLU    HA      .   6921    1    
    540     .   1    1    41     41     GLU    HB2     H    1     2.510      0.016     .   2    .   .   .   .   41     GLU    HB2     .   6921    1    
    541     .   1    1    41     41     GLU    HB3     H    1     2.389      0.015     .   2    .   .   .   .   41     GLU    HB3     .   6921    1    
    542     .   1    1    41     41     GLU    HG2     H    1     2.643      0.012     .   2    .   .   .   .   41     GLU    HG2     .   6921    1    
    543     .   1    1    41     41     GLU    HG3     H    1     2.570      0.000     .   2    .   .   .   .   41     GLU    HG3     .   6921    1    
    544     .   1    1    41     41     GLU    C       C    13    177.252    0.035     .   1    .   .   .   .   41     GLU    C       .   6921    1    
    545     .   1    1    41     41     GLU    CA      C    13    58.524     0.289     .   1    .   .   .   .   41     GLU    CA      .   6921    1    
    546     .   1    1    41     41     GLU    CB      C    13    30.495     0.130     .   1    .   .   .   .   41     GLU    CB      .   6921    1    
    547     .   1    1    41     41     GLU    CG      C    13    36.832     0.145     .   1    .   .   .   .   41     GLU    CG      .   6921    1    
    548     .   1    1    41     41     GLU    N       N    15    111.905    0.222     .   1    .   .   .   .   41     GLU    N       .   6921    1    
    549     .   1    1    42     42     GLU    H       H    1     8.260      0.015     .   1    .   .   .   .   42     GLU    H       .   6921    1    
    550     .   1    1    42     42     GLU    HA      H    1     4.866      0.018     .   1    .   .   .   .   42     GLU    HA      .   6921    1    
    551     .   1    1    42     42     GLU    HB2     H    1     2.487      0.042     .   2    .   .   .   .   42     GLU    HB2     .   6921    1    
    552     .   1    1    42     42     GLU    HB3     H    1     2.435      0.008     .   2    .   .   .   .   42     GLU    HB3     .   6921    1    
    553     .   1    1    42     42     GLU    HG2     H    1     2.664      0.000     .   2    .   .   .   .   42     GLU    HG2     .   6921    1    
    554     .   1    1    42     42     GLU    HG3     H    1     2.649      0.006     .   2    .   .   .   .   42     GLU    HG3     .   6921    1    
    555     .   1    1    42     42     GLU    C       C    13    179.243    2.817     .   1    .   .   .   .   42     GLU    C       .   6921    1    
    556     .   1    1    42     42     GLU    CA      C    13    56.305     0.134     .   1    .   .   .   .   42     GLU    CA      .   6921    1    
    557     .   1    1    42     42     GLU    CB      C    13    32.068     0.108     .   1    .   .   .   .   42     GLU    CB      .   6921    1    
    558     .   1    1    42     42     GLU    CG      C    13    37.080     0.050     .   1    .   .   .   .   42     GLU    CG      .   6921    1    
    559     .   1    1    42     42     GLU    N       N    15    117.504    0.161     .   1    .   .   .   .   42     GLU    N       .   6921    1    
    560     .   1    1    43     43     HIS    H       H    1     8.870      0.013     .   1    .   .   .   .   43     HIS    H       .   6921    1    
    561     .   1    1    43     43     HIS    HA      H    1     4.473      0.017     .   1    .   .   .   .   43     HIS    HA      .   6921    1    
    562     .   1    1    43     43     HIS    HB2     H    1     2.402      0.006     .   2    .   .   .   .   43     HIS    HB2     .   6921    1    
    563     .   1    1    43     43     HIS    HB3     H    1     1.834      0.011     .   2    .   .   .   .   43     HIS    HB3     .   6921    1    
    564     .   1    1    43     43     HIS    C       C    13    178.220    0.000     .   1    .   .   .   .   43     HIS    C       .   6921    1    
    565     .   1    1    43     43     HIS    CA      C    13    64.645     0.139     .   1    .   .   .   .   43     HIS    CA      .   6921    1    
    566     .   1    1    43     43     HIS    CB      C    13    31.755     0.161     .   1    .   .   .   .   43     HIS    CB      .   6921    1    
    567     .   1    1    43     43     HIS    N       N    15    119.794    0.147     .   1    .   .   .   .   43     HIS    N       .   6921    1    
    568     .   1    1    44     44     PRO    HA      H    1     4.064      0.012     .   1    .   .   .   .   44     PRO    HA      .   6921    1    
    569     .   1    1    44     44     PRO    HB2     H    1     0.783      0.007     .   2    .   .   .   .   44     PRO    HB2     .   6921    1    
    570     .   1    1    44     44     PRO    HB3     H    1     -3.193     0.006     .   2    .   .   .   .   44     PRO    HB3     .   6921    1    
    571     .   1    1    44     44     PRO    HG2     H    1     1.357      0.007     .   2    .   .   .   .   44     PRO    HG2     .   6921    1    
    572     .   1    1    44     44     PRO    HG3     H    1     -0.316     0.007     .   2    .   .   .   .   44     PRO    HG3     .   6921    1    
    573     .   1    1    44     44     PRO    HD2     H    1     4.405      0.006     .   2    .   .   .   .   44     PRO    HD2     .   6921    1    
    574     .   1    1    44     44     PRO    HD3     H    1     0.686      0.004     .   2    .   .   .   .   44     PRO    HD3     .   6921    1    
    575     .   1    1    44     44     PRO    CA      C    13    64.813     0.111     .   1    .   .   .   .   44     PRO    CA      .   6921    1    
    576     .   1    1    44     44     PRO    CB      C    13    31.622     0.151     .   1    .   .   .   .   44     PRO    CB      .   6921    1    
    577     .   1    1    44     44     PRO    CG      C    13    28.259     0.163     .   1    .   .   .   .   44     PRO    CG      .   6921    1    
    578     .   1    1    44     44     PRO    CD      C    13    50.676     0.039     .   1    .   .   .   .   44     PRO    CD      .   6921    1    
    579     .   1    1    45     45     GLY    HA2     H    1     6.153      0.005     .   2    .   .   .   .   45     GLY    HA2     .   6921    1    
    580     .   1    1    45     45     GLY    HA3     H    1     5.766      0.010     .   2    .   .   .   .   45     GLY    HA3     .   6921    1    
    581     .   1    1    45     45     GLY    C       C    13    175.173    0.005     .   1    .   .   .   .   45     GLY    C       .   6921    1    
    582     .   1    1    45     45     GLY    CA      C    13    46.607     0.094     .   1    .   .   .   .   45     GLY    CA      .   6921    1    
    583     .   1    1    46     46     GLY    H       H    1     10.293     0.016     .   1    .   .   .   .   46     GLY    H       .   6921    1    
    584     .   1    1    46     46     GLY    HA2     H    1     5.646      0.009     .   2    .   .   .   .   46     GLY    HA2     .   6921    1    
    585     .   1    1    46     46     GLY    HA3     H    1     5.976      0.007     .   2    .   .   .   .   46     GLY    HA3     .   6921    1    
    586     .   1    1    46     46     GLY    C       C    13    177.050    0.003     .   1    .   .   .   .   46     GLY    C       .   6921    1    
    587     .   1    1    46     46     GLY    CA      C    13    46.636     0.185     .   1    .   .   .   .   46     GLY    CA      .   6921    1    
    588     .   1    1    46     46     GLY    N       N    15    111.781    0.209     .   1    .   .   .   .   46     GLY    N       .   6921    1    
    589     .   1    1    47     47     GLU    H       H    1     9.911      0.012     .   1    .   .   .   .   47     GLU    H       .   6921    1    
    590     .   1    1    47     47     GLU    HA      H    1     5.780      0.007     .   1    .   .   .   .   47     GLU    HA      .   6921    1    
    591     .   1    1    47     47     GLU    HB2     H    1     2.837      0.019     .   2    .   .   .   .   47     GLU    HB2     .   6921    1    
    592     .   1    1    47     47     GLU    HB3     H    1     2.791      0.023     .   2    .   .   .   .   47     GLU    HB3     .   6921    1    
    593     .   1    1    47     47     GLU    HG2     H    1     2.873      0.006     .   2    .   .   .   .   47     GLU    HG2     .   6921    1    
    594     .   1    1    47     47     GLU    HG3     H    1     2.843      0.019     .   2    .   .   .   .   47     GLU    HG3     .   6921    1    
    595     .   1    1    47     47     GLU    C       C    13    179.272    0.026     .   1    .   .   .   .   47     GLU    C       .   6921    1    
    596     .   1    1    47     47     GLU    CA      C    13    59.589     0.184     .   1    .   .   .   .   47     GLU    CA      .   6921    1    
    597     .   1    1    47     47     GLU    CB      C    13    31.802     0.134     .   1    .   .   .   .   47     GLU    CB      .   6921    1    
    598     .   1    1    47     47     GLU    CG      C    13    36.736     0.084     .   1    .   .   .   .   47     GLU    CG      .   6921    1    
    599     .   1    1    47     47     GLU    N       N    15    120.670    0.137     .   1    .   .   .   .   47     GLU    N       .   6921    1    
    600     .   1    1    48     48     GLU    H       H    1     9.543      0.012     .   1    .   .   .   .   48     GLU    H       .   6921    1    
    601     .   1    1    48     48     GLU    HA      H    1     4.232      0.012     .   1    .   .   .   .   48     GLU    HA      .   6921    1    
    602     .   1    1    48     48     GLU    HB2     H    1     2.516      0.012     .   2    .   .   .   .   48     GLU    HB2     .   6921    1    
    603     .   1    1    48     48     GLU    HB3     H    1     2.372      0.008     .   2    .   .   .   .   48     GLU    HB3     .   6921    1    
    604     .   1    1    48     48     GLU    HG2     H    1     2.634      0.007     .   2    .   .   .   .   48     GLU    HG2     .   6921    1    
    605     .   1    1    48     48     GLU    HG3     H    1     2.641      0.008     .   2    .   .   .   .   48     GLU    HG3     .   6921    1    
    606     .   1    1    48     48     GLU    C       C    13    179.408    0.057     .   1    .   .   .   .   48     GLU    C       .   6921    1    
    607     .   1    1    48     48     GLU    CA      C    13    61.858     0.161     .   1    .   .   .   .   48     GLU    CA      .   6921    1    
    608     .   1    1    48     48     GLU    CB      C    13    29.328     0.094     .   1    .   .   .   .   48     GLU    CB      .   6921    1    
    609     .   1    1    48     48     GLU    CG      C    13    36.959     0.130     .   1    .   .   .   .   48     GLU    CG      .   6921    1    
    610     .   1    1    48     48     GLU    N       N    15    123.553    0.148     .   1    .   .   .   .   48     GLU    N       .   6921    1    
    611     .   1    1    49     49     VAL    H       H    1     9.231      0.014     .   1    .   .   .   .   49     VAL    H       .   6921    1    
    612     .   1    1    49     49     VAL    HA      H    1     4.097      0.021     .   1    .   .   .   .   49     VAL    HA      .   6921    1    
    613     .   1    1    49     49     VAL    HB      H    1     2.266      0.018     .   1    .   .   .   .   49     VAL    HB      .   6921    1    
    614     .   1    1    49     49     VAL    HG11    H    1     1.566      0.017     .   2    .   .   .   .   49     VAL    HG1     .   6921    1    
    615     .   1    1    49     49     VAL    HG12    H    1     1.566      0.017     .   2    .   .   .   .   49     VAL    HG1     .   6921    1    
    616     .   1    1    49     49     VAL    HG13    H    1     1.566      0.017     .   2    .   .   .   .   49     VAL    HG1     .   6921    1    
    617     .   1    1    49     49     VAL    HG21    H    1     1.492      0.023     .   2    .   .   .   .   49     VAL    HG2     .   6921    1    
    618     .   1    1    49     49     VAL    HG22    H    1     1.492      0.023     .   2    .   .   .   .   49     VAL    HG2     .   6921    1    
    619     .   1    1    49     49     VAL    HG23    H    1     1.492      0.023     .   2    .   .   .   .   49     VAL    HG2     .   6921    1    
    620     .   1    1    49     49     VAL    C       C    13    176.741    0.045     .   1    .   .   .   .   49     VAL    C       .   6921    1    
    621     .   1    1    49     49     VAL    CA      C    13    64.431     0.144     .   1    .   .   .   .   49     VAL    CA      .   6921    1    
    622     .   1    1    49     49     VAL    CB      C    13    31.475     0.288     .   1    .   .   .   .   49     VAL    CB      .   6921    1    
    623     .   1    1    49     49     VAL    CG1     C    13    22.328     0.152     .   1    .   .   .   .   49     VAL    CG1     .   6921    1    
    624     .   1    1    49     49     VAL    CG2     C    13    21.660     0.060     .   1    .   .   .   .   49     VAL    CG2     .   6921    1    
    625     .   1    1    49     49     VAL    N       N    15    112.037    0.233     .   1    .   .   .   .   49     VAL    N       .   6921    1    
    626     .   1    1    50     50     LEU    H       H    1     7.285      0.014     .   1    .   .   .   .   50     LEU    H       .   6921    1    
    627     .   1    1    50     50     LEU    HA      H    1     3.153      0.010     .   1    .   .   .   .   50     LEU    HA      .   6921    1    
    628     .   1    1    50     50     LEU    HB2     H    1     2.656      0.009     .   2    .   .   .   .   50     LEU    HB2     .   6921    1    
    629     .   1    1    50     50     LEU    HB3     H    1     0.787      0.013     .   2    .   .   .   .   50     LEU    HB3     .   6921    1    
    630     .   1    1    50     50     LEU    HG      H    1     2.471      0.005     .   1    .   .   .   .   50     LEU    HG      .   6921    1    
    631     .   1    1    50     50     LEU    HD11    H    1     3.376      0.006     .   2    .   .   .   .   50     LEU    HD1     .   6921    1    
    632     .   1    1    50     50     LEU    HD12    H    1     3.376      0.006     .   2    .   .   .   .   50     LEU    HD1     .   6921    1    
    633     .   1    1    50     50     LEU    HD13    H    1     3.376      0.006     .   2    .   .   .   .   50     LEU    HD1     .   6921    1    
    634     .   1    1    50     50     LEU    HD21    H    1     -2.435     0.002     .   2    .   .   .   .   50     LEU    HD2     .   6921    1    
    635     .   1    1    50     50     LEU    HD22    H    1     -2.435     0.002     .   2    .   .   .   .   50     LEU    HD2     .   6921    1    
    636     .   1    1    50     50     LEU    HD23    H    1     -2.435     0.002     .   2    .   .   .   .   50     LEU    HD2     .   6921    1    
    637     .   1    1    50     50     LEU    C       C    13    177.764    0.002     .   1    .   .   .   .   50     LEU    C       .   6921    1    
    638     .   1    1    50     50     LEU    CA      C    13    56.407     0.125     .   1    .   .   .   .   50     LEU    CA      .   6921    1    
    639     .   1    1    50     50     LEU    CB      C    13    41.943     0.082     .   1    .   .   .   .   50     LEU    CB      .   6921    1    
    640     .   1    1    50     50     LEU    CG      C    13    29.415     0.098     .   1    .   .   .   .   50     LEU    CG      .   6921    1    
    641     .   1    1    50     50     LEU    CD1     C    13    26.836     0.078     .   1    .   .   .   .   50     LEU    CD1     .   6921    1    
    642     .   1    1    50     50     LEU    CD2     C    13    19.797     0.076     .   1    .   .   .   .   50     LEU    CD2     .   6921    1    
    643     .   1    1    50     50     LEU    N       N    15    115.898    0.180     .   1    .   .   .   .   50     LEU    N       .   6921    1    
    644     .   1    1    51     51     ARG    H       H    1     8.407      0.010     .   1    .   .   .   .   51     ARG    H       .   6921    1    
    645     .   1    1    51     51     ARG    HA      H    1     3.840      0.012     .   1    .   .   .   .   51     ARG    HA      .   6921    1    
    646     .   1    1    51     51     ARG    HB2     H    1     2.050      0.019     .   2    .   .   .   .   51     ARG    HB2     .   6921    1    
    647     .   1    1    51     51     ARG    HB3     H    1     2.001      0.010     .   2    .   .   .   .   51     ARG    HB3     .   6921    1    
    648     .   1    1    51     51     ARG    HG2     H    1     1.965      0.011     .   2    .   .   .   .   51     ARG    HG2     .   6921    1    
    649     .   1    1    51     51     ARG    HG3     H    1     1.749      0.008     .   2    .   .   .   .   51     ARG    HG3     .   6921    1    
    650     .   1    1    51     51     ARG    HD2     H    1     3.359      0.005     .   2    .   .   .   .   51     ARG    HD2     .   6921    1    
    651     .   1    1    51     51     ARG    HD3     H    1     3.361      0.001     .   2    .   .   .   .   51     ARG    HD3     .   6921    1    
    652     .   1    1    51     51     ARG    C       C    13    179.699    0.053     .   1    .   .   .   .   51     ARG    C       .   6921    1    
    653     .   1    1    51     51     ARG    CA      C    13    59.571     0.185     .   1    .   .   .   .   51     ARG    CA      .   6921    1    
    654     .   1    1    51     51     ARG    CB      C    13    30.239     0.131     .   1    .   .   .   .   51     ARG    CB      .   6921    1    
    655     .   1    1    51     51     ARG    CG      C    13    27.857     0.197     .   1    .   .   .   .   51     ARG    CG      .   6921    1    
    656     .   1    1    51     51     ARG    CD      C    13    43.475     0.074     .   1    .   .   .   .   51     ARG    CD      .   6921    1    
    657     .   1    1    51     51     ARG    N       N    15    118.017    0.193     .   1    .   .   .   .   51     ARG    N       .   6921    1    
    658     .   1    1    52     52     GLU    H       H    1     8.140      0.013     .   1    .   .   .   .   52     GLU    H       .   6921    1    
    659     .   1    1    52     52     GLU    HA      H    1     3.992      0.012     .   1    .   .   .   .   52     GLU    HA      .   6921    1    
    660     .   1    1    52     52     GLU    HB2     H    1     1.954      0.013     .   2    .   .   .   .   52     GLU    HB2     .   6921    1    
    661     .   1    1    52     52     GLU    HB3     H    1     1.978      0.020     .   2    .   .   .   .   52     GLU    HB3     .   6921    1    
    662     .   1    1    52     52     GLU    HG2     H    1     2.340      0.065     .   2    .   .   .   .   52     GLU    HG2     .   6921    1    
    663     .   1    1    52     52     GLU    HG3     H    1     2.337      0.000     .   2    .   .   .   .   52     GLU    HG3     .   6921    1    
    664     .   1    1    52     52     GLU    C       C    13    177.114    0.008     .   1    .   .   .   .   52     GLU    C       .   6921    1    
    665     .   1    1    52     52     GLU    CA      C    13    58.923     0.113     .   1    .   .   .   .   52     GLU    CA      .   6921    1    
    666     .   1    1    52     52     GLU    CB      C    13    30.061     0.135     .   1    .   .   .   .   52     GLU    CB      .   6921    1    
    667     .   1    1    52     52     GLU    CG      C    13    36.451     0.125     .   1    .   .   .   .   52     GLU    CG      .   6921    1    
    668     .   1    1    52     52     GLU    N       N    15    116.156    0.227     .   1    .   .   .   .   52     GLU    N       .   6921    1    
    669     .   1    1    53     53     GLN    H       H    1     6.636      0.011     .   1    .   .   .   .   53     GLN    H       .   6921    1    
    670     .   1    1    53     53     GLN    HA      H    1     4.173      0.011     .   1    .   .   .   .   53     GLN    HA      .   6921    1    
    671     .   1    1    53     53     GLN    HB2     H    1     1.820      0.006     .   2    .   .   .   .   53     GLN    HB2     .   6921    1    
    672     .   1    1    53     53     GLN    HB3     H    1     0.900      0.008     .   2    .   .   .   .   53     GLN    HB3     .   6921    1    
    673     .   1    1    53     53     GLN    HG2     H    1     2.056      0.007     .   2    .   .   .   .   53     GLN    HG2     .   6921    1    
    674     .   1    1    53     53     GLN    HG3     H    1     1.428      0.017     .   2    .   .   .   .   53     GLN    HG3     .   6921    1    
    675     .   1    1    53     53     GLN    HE21    H    1     6.388      0.014     .   2    .   .   .   .   53     GLN    HE21    .   6921    1    
    676     .   1    1    53     53     GLN    HE22    H    1     7.293      0.016     .   2    .   .   .   .   53     GLN    HE22    .   6921    1    
    677     .   1    1    53     53     GLN    C       C    13    174.405    0.010     .   1    .   .   .   .   53     GLN    C       .   6921    1    
    678     .   1    1    53     53     GLN    CA      C    13    53.391     0.086     .   1    .   .   .   .   53     GLN    CA      .   6921    1    
    679     .   1    1    53     53     GLN    CB      C    13    29.022     0.129     .   1    .   .   .   .   53     GLN    CB      .   6921    1    
    680     .   1    1    53     53     GLN    CG      C    13    32.963     0.115     .   1    .   .   .   .   53     GLN    CG      .   6921    1    
    681     .   1    1    53     53     GLN    CD      C    13    177.785    0.011     .   1    .   .   .   .   53     GLN    CD      .   6921    1    
    682     .   1    1    53     53     GLN    N       N    15    112.569    0.230     .   1    .   .   .   .   53     GLN    N       .   6921    1    
    683     .   1    1    53     53     GLN    NE2     N    15    110.823    0.259     .   1    .   .   .   .   53     GLN    NE2     .   6921    1    
    684     .   1    1    54     54     ALA    H       H    1     6.895      0.010     .   1    .   .   .   .   54     ALA    H       .   6921    1    
    685     .   1    1    54     54     ALA    HA      H    1     3.769      0.007     .   1    .   .   .   .   54     ALA    HA      .   6921    1    
    686     .   1    1    54     54     ALA    HB1     H    1     1.410      0.011     .   1    .   .   .   .   54     ALA    HB      .   6921    1    
    687     .   1    1    54     54     ALA    HB2     H    1     1.410      0.011     .   1    .   .   .   .   54     ALA    HB      .   6921    1    
    688     .   1    1    54     54     ALA    HB3     H    1     1.410      0.011     .   1    .   .   .   .   54     ALA    HB      .   6921    1    
    689     .   1    1    54     54     ALA    C       C    13    177.610    0.004     .   1    .   .   .   .   54     ALA    C       .   6921    1    
    690     .   1    1    54     54     ALA    CA      C    13    53.540     0.125     .   1    .   .   .   .   54     ALA    CA      .   6921    1    
    691     .   1    1    54     54     ALA    CB      C    13    20.368     0.170     .   1    .   .   .   .   54     ALA    CB      .   6921    1    
    692     .   1    1    54     54     ALA    N       N    15    120.684    0.155     .   1    .   .   .   .   54     ALA    N       .   6921    1    
    693     .   1    1    55     55     GLY    H       H    1     9.347      0.016     .   1    .   .   .   .   55     GLY    H       .   6921    1    
    694     .   1    1    55     55     GLY    HA2     H    1     3.926      0.009     .   2    .   .   .   .   55     GLY    HA2     .   6921    1    
    695     .   1    1    55     55     GLY    HA3     H    1     3.556      0.009     .   2    .   .   .   .   55     GLY    HA3     .   6921    1    
    696     .   1    1    55     55     GLY    C       C    13    172.771    0.013     .   1    .   .   .   .   55     GLY    C       .   6921    1    
    697     .   1    1    55     55     GLY    CA      C    13    45.436     0.175     .   1    .   .   .   .   55     GLY    CA      .   6921    1    
    698     .   1    1    55     55     GLY    N       N    15    110.464    0.234     .   1    .   .   .   .   55     GLY    N       .   6921    1    
    699     .   1    1    56     56     GLY    H       H    1     7.390      0.020     .   1    .   .   .   .   56     GLY    H       .   6921    1    
    700     .   1    1    56     56     GLY    HA2     H    1     4.216      0.019     .   2    .   .   .   .   56     GLY    HA2     .   6921    1    
    701     .   1    1    56     56     GLY    HA3     H    1     3.566      0.016     .   2    .   .   .   .   56     GLY    HA3     .   6921    1    
    702     .   1    1    56     56     GLY    C       C    13    171.380    0.013     .   1    .   .   .   .   56     GLY    C       .   6921    1    
    703     .   1    1    56     56     GLY    CA      C    13    44.344     0.175     .   1    .   .   .   .   56     GLY    CA      .   6921    1    
    704     .   1    1    56     56     GLY    N       N    15    104.187    0.311     .   1    .   .   .   .   56     GLY    N       .   6921    1    
    705     .   1    1    57     57     ASP    H       H    1     8.291      0.025     .   1    .   .   .   .   57     ASP    H       .   6921    1    
    706     .   1    1    57     57     ASP    HA      H    1     4.772      0.010     .   1    .   .   .   .   57     ASP    HA      .   6921    1    
    707     .   1    1    57     57     ASP    HB2     H    1     2.713      0.008     .   2    .   .   .   .   57     ASP    HB2     .   6921    1    
    708     .   1    1    57     57     ASP    HB3     H    1     2.247      0.014     .   2    .   .   .   .   57     ASP    HB3     .   6921    1    
    709     .   1    1    57     57     ASP    C       C    13    175.706    0.012     .   1    .   .   .   .   57     ASP    C       .   6921    1    
    710     .   1    1    57     57     ASP    CA      C    13    54.006     0.175     .   1    .   .   .   .   57     ASP    CA      .   6921    1    
    711     .   1    1    57     57     ASP    CB      C    13    42.240     0.263     .   1    .   .   .   .   57     ASP    CB      .   6921    1    
    712     .   1    1    57     57     ASP    N       N    15    116.951    0.163     .   1    .   .   .   .   57     ASP    N       .   6921    1    
    713     .   1    1    58     58     ALA    H       H    1     8.332      0.016     .   1    .   .   .   .   58     ALA    H       .   6921    1    
    714     .   1    1    58     58     ALA    HA      H    1     4.458      0.020     .   1    .   .   .   .   58     ALA    HA      .   6921    1    
    715     .   1    1    58     58     ALA    HB1     H    1     0.177      0.020     .   1    .   .   .   .   58     ALA    HB      .   6921    1    
    716     .   1    1    58     58     ALA    HB2     H    1     0.177      0.020     .   1    .   .   .   .   58     ALA    HB      .   6921    1    
    717     .   1    1    58     58     ALA    HB3     H    1     0.177      0.020     .   1    .   .   .   .   58     ALA    HB      .   6921    1    
    718     .   1    1    58     58     ALA    C       C    13    175.817    0.004     .   1    .   .   .   .   58     ALA    C       .   6921    1    
    719     .   1    1    58     58     ALA    CA      C    13    50.024     0.108     .   1    .   .   .   .   58     ALA    CA      .   6921    1    
    720     .   1    1    58     58     ALA    CB      C    13    20.350     0.297     .   1    .   .   .   .   58     ALA    CB      .   6921    1    
    721     .   1    1    58     58     ALA    N       N    15    128.575    0.156     .   1    .   .   .   .   58     ALA    N       .   6921    1    
    722     .   1    1    59     59     THR    H       H    1     7.860      0.010     .   1    .   .   .   .   59     THR    H       .   6921    1    
    723     .   1    1    59     59     THR    HA      H    1     3.866      0.009     .   1    .   .   .   .   59     THR    HA      .   6921    1    
    724     .   1    1    59     59     THR    HB      H    1     2.926      0.012     .   1    .   .   .   .   59     THR    HB      .   6921    1    
    725     .   1    1    59     59     THR    HG21    H    1     0.442      0.013     .   1    .   .   .   .   59     THR    HG2     .   6921    1    
    726     .   1    1    59     59     THR    HG22    H    1     0.442      0.013     .   1    .   .   .   .   59     THR    HG2     .   6921    1    
    727     .   1    1    59     59     THR    HG23    H    1     0.442      0.013     .   1    .   .   .   .   59     THR    HG2     .   6921    1    
    728     .   1    1    59     59     THR    C       C    13    175.792    0.024     .   1    .   .   .   .   59     THR    C       .   6921    1    
    729     .   1    1    59     59     THR    CA      C    13    69.384     0.387     .   1    .   .   .   .   59     THR    CA      .   6921    1    
    730     .   1    1    59     59     THR    CB      C    13    69.062     0.357     .   1    .   .   .   .   59     THR    CB      .   6921    1    
    731     .   1    1    59     59     THR    CG2     C    13    19.989     0.198     .   1    .   .   .   .   59     THR    CG2     .   6921    1    
    732     .   1    1    59     59     THR    N       N    15    116.994    0.175     .   1    .   .   .   .   59     THR    N       .   6921    1    
    733     .   1    1    60     60     GLU    H       H    1     8.546      0.016     .   1    .   .   .   .   60     GLU    H       .   6921    1    
    734     .   1    1    60     60     GLU    HA      H    1     3.900      0.012     .   1    .   .   .   .   60     GLU    HA      .   6921    1    
    735     .   1    1    60     60     GLU    HB2     H    1     1.845      0.011     .   2    .   .   .   .   60     GLU    HB2     .   6921    1    
    736     .   1    1    60     60     GLU    HB3     H    1     1.919      0.000     .   2    .   .   .   .   60     GLU    HB3     .   6921    1    
    737     .   1    1    60     60     GLU    HG2     H    1     2.294      0.000     .   2    .   .   .   .   60     GLU    HG2     .   6921    1    
    738     .   1    1    60     60     GLU    HG3     H    1     2.228      0.000     .   2    .   .   .   .   60     GLU    HG3     .   6921    1    
    739     .   1    1    60     60     GLU    C       C    13    178.358    0.022     .   1    .   .   .   .   60     GLU    C       .   6921    1    
    740     .   1    1    60     60     GLU    CA      C    13    60.270     0.087     .   1    .   .   .   .   60     GLU    CA      .   6921    1    
    741     .   1    1    60     60     GLU    CB      C    13    29.118     0.048     .   1    .   .   .   .   60     GLU    CB      .   6921    1    
    742     .   1    1    60     60     GLU    CG      C    13    36.55      0.000     .   1    .   .   .   .   60     GLU    CG      .   6921    1    
    743     .   1    1    60     60     GLU    N       N    15    118.942    0.173     .   1    .   .   .   .   60     GLU    N       .   6921    1    
    744     .   1    1    61     61     ASN    H       H    1     7.672      0.015     .   1    .   .   .   .   61     ASN    H       .   6921    1    
    745     .   1    1    61     61     ASN    HA      H    1     4.318      0.013     .   1    .   .   .   .   61     ASN    HA      .   6921    1    
    746     .   1    1    61     61     ASN    HB2     H    1     2.213      0.016     .   2    .   .   .   .   61     ASN    HB2     .   6921    1    
    747     .   1    1    61     61     ASN    HB3     H    1     1.789      0.014     .   2    .   .   .   .   61     ASN    HB3     .   6921    1    
    748     .   1    1    61     61     ASN    HD21    H    1     6.710      0.013     .   2    .   .   .   .   61     ASN    HD21    .   6921    1    
    749     .   1    1    61     61     ASN    HD22    H    1     7.432      0.016     .   2    .   .   .   .   61     ASN    HD22    .   6921    1    
    750     .   1    1    61     61     ASN    C       C    13    176.979    0.000     .   1    .   .   .   .   61     ASN    C       .   6921    1    
    751     .   1    1    61     61     ASN    CA      C    13    56.066     0.283     .   1    .   .   .   .   61     ASN    CA      .   6921    1    
    752     .   1    1    61     61     ASN    CB      C    13    38.235     0.101     .   1    .   .   .   .   61     ASN    CB      .   6921    1    
    753     .   1    1    61     61     ASN    CG      C    13    175.242    0.069     .   1    .   .   .   .   61     ASN    CG      .   6921    1    
    754     .   1    1    61     61     ASN    N       N    15    115.888    0.162     .   1    .   .   .   .   61     ASN    N       .   6921    1    
    755     .   1    1    61     61     ASN    ND2     N    15    111.172    0.247     .   1    .   .   .   .   61     ASN    ND2     .   6921    1    
    756     .   1    1    62     62     PHE    H       H    1     7.991      0.020     .   1    .   .   .   .   62     PHE    H       .   6921    1    
    757     .   1    1    62     62     PHE    HA      H    1     3.398      0.009     .   1    .   .   .   .   62     PHE    HA      .   6921    1    
    758     .   1    1    62     62     PHE    HB2     H    1     2.899      0.021     .   2    .   .   .   .   62     PHE    HB2     .   6921    1    
    759     .   1    1    62     62     PHE    HB3     H    1     0.989      0.012     .   2    .   .   .   .   62     PHE    HB3     .   6921    1    
    760     .   1    1    62     62     PHE    HD1     H    1     7.313      0.051     .   3    .   .   .   .   62     PHE    HD1     .   6921    1    
    761     .   1    1    62     62     PHE    HD2     H    1     7.266      0.002     .   3    .   .   .   .   62     PHE    HD2     .   6921    1    
    762     .   1    1    62     62     PHE    HE1     H    1     7.366      0.001     .   1    .   .   .   .   62     PHE    HE1     .   6921    1    
    763     .   1    1    62     62     PHE    HE2     H    1     7.366      0.000     .   1    .   .   .   .   62     PHE    HE2     .   6921    1    
    764     .   1    1    62     62     PHE    HZ      H    1     7.317      0.001     .   1    .   .   .   .   62     PHE    HZ      .   6921    1    
    765     .   1    1    62     62     PHE    C       C    13    179.768    0.010     .   1    .   .   .   .   62     PHE    C       .   6921    1    
    766     .   1    1    62     62     PHE    CA      C    13    62.513     0.108     .   1    .   .   .   .   62     PHE    CA      .   6921    1    
    767     .   1    1    62     62     PHE    CB      C    13    40.587     0.121     .   1    .   .   .   .   62     PHE    CB      .   6921    1    
    768     .   1    1    62     62     PHE    CD1     C    13    131.775    0.000     .   1    .   .   .   .   62     PHE    CD1     .   6921    1    
    769     .   1    1    62     62     PHE    CD2     C    13    131.750    0.037     .   1    .   .   .   .   62     PHE    CD2     .   6921    1    
    770     .   1    1    62     62     PHE    CE1     C    13    131.550    0.007     .   1    .   .   .   .   62     PHE    CE1     .   6921    1    
    771     .   1    1    62     62     PHE    CE2     C    13    131.615    0.000     .   1    .   .   .   .   62     PHE    CE2     .   6921    1    
    772     .   1    1    62     62     PHE    CZ      C    13    129.791    0.006     .   1    .   .   .   .   62     PHE    CZ      .   6921    1    
    773     .   1    1    62     62     PHE    N       N    15    117.606    0.184     .   1    .   .   .   .   62     PHE    N       .   6921    1    
    774     .   1    1    63     63     GLU    H       H    1     8.783      0.014     .   1    .   .   .   .   63     GLU    H       .   6921    1    
    775     .   1    1    63     63     GLU    HA      H    1     5.416      0.009     .   1    .   .   .   .   63     GLU    HA      .   6921    1    
    776     .   1    1    63     63     GLU    HB2     H    1     2.765      0.007     .   2    .   .   .   .   63     GLU    HB2     .   6921    1    
    777     .   1    1    63     63     GLU    HB3     H    1     2.416      0.015     .   2    .   .   .   .   63     GLU    HB3     .   6921    1    
    778     .   1    1    63     63     GLU    HG2     H    1     3.030      0.012     .   2    .   .   .   .   63     GLU    HG2     .   6921    1    
    779     .   1    1    63     63     GLU    HG3     H    1     3.134      0.005     .   2    .   .   .   .   63     GLU    HG3     .   6921    1    
    780     .   1    1    63     63     GLU    C       C    13    180.261    0.035     .   1    .   .   .   .   63     GLU    C       .   6921    1    
    781     .   1    1    63     63     GLU    CA      C    13    59.249     0.186     .   1    .   .   .   .   63     GLU    CA      .   6921    1    
    782     .   1    1    63     63     GLU    CB      C    13    29.749     0.094     .   1    .   .   .   .   63     GLU    CB      .   6921    1    
    783     .   1    1    63     63     GLU    CG      C    13    35.863     0.061     .   1    .   .   .   .   63     GLU    CG      .   6921    1    
    784     .   1    1    63     63     GLU    N       N    15    119.197    0.176     .   1    .   .   .   .   63     GLU    N       .   6921    1    
    785     .   1    1    64     64     ASP    H       H    1     8.943      0.019     .   1    .   .   .   .   64     ASP    H       .   6921    1    
    786     .   1    1    64     64     ASP    HA      H    1     4.854      0.011     .   1    .   .   .   .   64     ASP    HA      .   6921    1    
    787     .   1    1    64     64     ASP    HB2     H    1     3.053      0.015     .   2    .   .   .   .   64     ASP    HB2     .   6921    1    
    788     .   1    1    64     64     ASP    HB3     H    1     2.876      0.008     .   2    .   .   .   .   64     ASP    HB3     .   6921    1    
    789     .   1    1    64     64     ASP    C       C    13    178.586    0.005     .   1    .   .   .   .   64     ASP    C       .   6921    1    
    790     .   1    1    64     64     ASP    CA      C    13    57.724     0.339     .   1    .   .   .   .   64     ASP    CA      .   6921    1    
    791     .   1    1    64     64     ASP    CB      C    13    41.727     0.179     .   1    .   .   .   .   64     ASP    CB      .   6921    1    
    792     .   1    1    64     64     ASP    CG      C    13    179.186    0.000     .   1    .   .   .   .   64     ASP    CG      .   6921    1    
    793     .   1    1    64     64     ASP    N       N    15    121.353    0.160     .   1    .   .   .   .   64     ASP    N       .   6921    1    
    794     .   1    1    65     65     VAL    H       H    1     8.115      0.011     .   1    .   .   .   .   65     VAL    H       .   6921    1    
    795     .   1    1    65     65     VAL    HA      H    1     4.432      0.014     .   1    .   .   .   .   65     VAL    HA      .   6921    1    
    796     .   1    1    65     65     VAL    HB      H    1     4.317      0.003     .   1    .   .   .   .   65     VAL    HB      .   6921    1    
    797     .   1    1    65     65     VAL    HG11    H    1     2.484      0.003     .   2    .   .   .   .   65     VAL    HG1     .   6921    1    
    798     .   1    1    65     65     VAL    HG12    H    1     2.484      0.003     .   2    .   .   .   .   65     VAL    HG1     .   6921    1    
    799     .   1    1    65     65     VAL    HG13    H    1     2.484      0.003     .   2    .   .   .   .   65     VAL    HG1     .   6921    1    
    800     .   1    1    65     65     VAL    HG21    H    1     1.751      0.002     .   2    .   .   .   .   65     VAL    HG2     .   6921    1    
    801     .   1    1    65     65     VAL    HG22    H    1     1.751      0.002     .   2    .   .   .   .   65     VAL    HG2     .   6921    1    
    802     .   1    1    65     65     VAL    HG23    H    1     1.751      0.002     .   2    .   .   .   .   65     VAL    HG2     .   6921    1    
    803     .   1    1    65     65     VAL    C       C    13    177.777    0.036     .   1    .   .   .   .   65     VAL    C       .   6921    1    
    804     .   1    1    65     65     VAL    CA      C    13    65.630     0.250     .   1    .   .   .   .   65     VAL    CA      .   6921    1    
    805     .   1    1    65     65     VAL    CB      C    13    33.995     0.124     .   1    .   .   .   .   65     VAL    CB      .   6921    1    
    806     .   1    1    65     65     VAL    CG1     C    13    23.029     0.208     .   1    .   .   .   .   65     VAL    CG1     .   6921    1    
    807     .   1    1    65     65     VAL    CG2     C    13    23.242     0.177     .   1    .   .   .   .   65     VAL    CG2     .   6921    1    
    808     .   1    1    65     65     VAL    N       N    15    115.026    0.165     .   1    .   .   .   .   65     VAL    N       .   6921    1    
    809     .   1    1    66     66     GLY    H       H    1     8.938      0.012     .   1    .   .   .   .   66     GLY    H       .   6921    1    
    810     .   1    1    66     66     GLY    HA2     H    1     5.070      0.015     .   2    .   .   .   .   66     GLY    HA2     .   6921    1    
    811     .   1    1    66     66     GLY    HA3     H    1     4.851      0.006     .   2    .   .   .   .   66     GLY    HA3     .   6921    1    
    812     .   1    1    66     66     GLY    C       C    13    176.704    0.034     .   1    .   .   .   .   66     GLY    C       .   6921    1    
    813     .   1    1    66     66     GLY    CA      C    13    48.024     0.207     .   1    .   .   .   .   66     GLY    CA      .   6921    1    
    814     .   1    1    66     66     GLY    N       N    15    108.623    0.253     .   1    .   .   .   .   66     GLY    N       .   6921    1    
    815     .   1    1    67     67     HIS    H       H    1     10.967     0.035     .   1    .   .   .   .   67     HIS    H       .   6921    1    
    816     .   1    1    67     67     HIS    HA      H    1     4.038      0.005     .   1    .   .   .   .   67     HIS    HA      .   6921    1    
    817     .   1    1    67     67     HIS    HB2     H    1     1.510      0.002     .   2    .   .   .   .   67     HIS    HB2     .   6921    1    
    818     .   1    1    67     67     HIS    HB3     H    1     1.508      0.000     .   2    .   .   .   .   67     HIS    HB3     .   6921    1    
    819     .   1    1    67     67     HIS    C       C    13    178.285    0.003     .   1    .   .   .   .   67     HIS    C       .   6921    1    
    820     .   1    1    67     67     HIS    CA      C    13    52.375     0.200     .   1    .   .   .   .   67     HIS    CA      .   6921    1    
    821     .   1    1    67     67     HIS    CB      C    13    19.607     0.077     .   1    .   .   .   .   67     HIS    CB      .   6921    1    
    822     .   1    1    67     67     HIS    N       N    15    119.059    0.187     .   1    .   .   .   .   67     HIS    N       .   6921    1    
    823     .   1    1    68     68     SER    H       H    1     11.681     0.009     .   1    .   .   .   .   68     SER    H       .   6921    1    
    824     .   1    1    68     68     SER    HA      H    1     4.950      0.012     .   1    .   .   .   .   68     SER    HA      .   6921    1    
    825     .   1    1    68     68     SER    HB2     H    1     4.527      0.007     .   2    .   .   .   .   68     SER    HB2     .   6921    1    
    826     .   1    1    68     68     SER    HB3     H    1     4.265      0.020     .   2    .   .   .   .   68     SER    HB3     .   6921    1    
    827     .   1    1    68     68     SER    C       C    13    176.456    0.006     .   1    .   .   .   .   68     SER    C       .   6921    1    
    828     .   1    1    68     68     SER    CA      C    13    59.489     0.148     .   1    .   .   .   .   68     SER    CA      .   6921    1    
    829     .   1    1    68     68     SER    CB      C    13    65.520     0.144     .   1    .   .   .   .   68     SER    CB      .   6921    1    
    830     .   1    1    68     68     SER    N       N    15    125.435    0.172     .   1    .   .   .   .   68     SER    N       .   6921    1    
    831     .   1    1    69     69     THR    H       H    1     9.273      0.009     .   1    .   .   .   .   69     THR    H       .   6921    1    
    832     .   1    1    69     69     THR    HA      H    1     4.484      0.016     .   1    .   .   .   .   69     THR    HA      .   6921    1    
    833     .   1    1    69     69     THR    HB      H    1     4.473      0.005     .   1    .   .   .   .   69     THR    HB      .   6921    1    
    834     .   1    1    69     69     THR    HG21    H    1     1.578      0.014     .   1    .   .   .   .   69     THR    HG2     .   6921    1    
    835     .   1    1    69     69     THR    HG22    H    1     1.578      0.014     .   1    .   .   .   .   69     THR    HG2     .   6921    1    
    836     .   1    1    69     69     THR    HG23    H    1     1.578      0.014     .   1    .   .   .   .   69     THR    HG2     .   6921    1    
    837     .   1    1    69     69     THR    C       C    13    177.274    0.051     .   1    .   .   .   .   69     THR    C       .   6921    1    
    838     .   1    1    69     69     THR    CA      C    13    67.253     0.236     .   1    .   .   .   .   69     THR    CA      .   6921    1    
    839     .   1    1    69     69     THR    CB      C    13    68.758     0.185     .   1    .   .   .   .   69     THR    CB      .   6921    1    
    840     .   1    1    69     69     THR    CG2     C    13    22.326     0.358     .   1    .   .   .   .   69     THR    CG2     .   6921    1    
    841     .   1    1    69     69     THR    N       N    15    116.097    0.162     .   1    .   .   .   .   69     THR    N       .   6921    1    
    842     .   1    1    70     70     ASP    H       H    1     8.263      0.012     .   1    .   .   .   .   70     ASP    H       .   6921    1    
    843     .   1    1    70     70     ASP    HA      H    1     4.496      0.014     .   1    .   .   .   .   70     ASP    HA      .   6921    1    
    844     .   1    1    70     70     ASP    HB2     H    1     2.688      0.024     .   2    .   .   .   .   70     ASP    HB2     .   6921    1    
    845     .   1    1    70     70     ASP    HB3     H    1     2.648      0.013     .   2    .   .   .   .   70     ASP    HB3     .   6921    1    
    846     .   1    1    70     70     ASP    C       C    13    179.045    0.001     .   1    .   .   .   .   70     ASP    C       .   6921    1    
    847     .   1    1    70     70     ASP    CA      C    13    58.078     0.171     .   1    .   .   .   .   70     ASP    CA      .   6921    1    
    848     .   1    1    70     70     ASP    CB      C    13    40.416     0.041     .   1    .   .   .   .   70     ASP    CB      .   6921    1    
    849     .   1    1    70     70     ASP    CG      C    13    179.415    0.000     .   1    .   .   .   .   70     ASP    CG      .   6921    1    
    850     .   1    1    70     70     ASP    N       N    15    121.319    0.176     .   1    .   .   .   .   70     ASP    N       .   6921    1    
    851     .   1    1    71     71     ALA    H       H    1     8.841      0.013     .   1    .   .   .   .   71     ALA    H       .   6921    1    
    852     .   1    1    71     71     ALA    HA      H    1     4.225      0.018     .   1    .   .   .   .   71     ALA    HA      .   6921    1    
    853     .   1    1    71     71     ALA    HB1     H    1     2.505      0.015     .   1    .   .   .   .   71     ALA    HB      .   6921    1    
    854     .   1    1    71     71     ALA    HB2     H    1     2.505      0.015     .   1    .   .   .   .   71     ALA    HB      .   6921    1    
    855     .   1    1    71     71     ALA    HB3     H    1     2.505      0.015     .   1    .   .   .   .   71     ALA    HB      .   6921    1    
    856     .   1    1    71     71     ALA    C       C    13    180.711    0.003     .   1    .   .   .   .   71     ALA    C       .   6921    1    
    857     .   1    1    71     71     ALA    CA      C    13    56.317     0.107     .   1    .   .   .   .   71     ALA    CA      .   6921    1    
    858     .   1    1    71     71     ALA    CB      C    13    20.694     0.226     .   1    .   .   .   .   71     ALA    CB      .   6921    1    
    859     .   1    1    71     71     ALA    N       N    15    123.894    0.158     .   1    .   .   .   .   71     ALA    N       .   6921    1    
    860     .   1    1    72     72     ARG    H       H    1     9.169      0.011     .   1    .   .   .   .   72     ARG    H       .   6921    1    
    861     .   1    1    72     72     ARG    HA      H    1     4.571      0.012     .   1    .   .   .   .   72     ARG    HA      .   6921    1    
    862     .   1    1    72     72     ARG    HB2     H    1     2.593      0.021     .   2    .   .   .   .   72     ARG    HB2     .   6921    1    
    863     .   1    1    72     72     ARG    HB3     H    1     2.599      0.021     .   2    .   .   .   .   72     ARG    HB3     .   6921    1    
    864     .   1    1    72     72     ARG    HG2     H    1     3.049      0.008     .   2    .   .   .   .   72     ARG    HG2     .   6921    1    
    865     .   1    1    72     72     ARG    HG3     H    1     2.784      0.012     .   2    .   .   .   .   72     ARG    HG3     .   6921    1    
    866     .   1    1    72     72     ARG    HD2     H    1     4.097      0.005     .   2    .   .   .   .   72     ARG    HD2     .   6921    1    
    867     .   1    1    72     72     ARG    HD3     H    1     3.800      0.008     .   2    .   .   .   .   72     ARG    HD3     .   6921    1    
    868     .   1    1    72     72     ARG    C       C    13    181.047    0.004     .   1    .   .   .   .   72     ARG    C       .   6921    1    
    869     .   1    1    72     72     ARG    CA      C    13    60.885     0.272     .   1    .   .   .   .   72     ARG    CA      .   6921    1    
    870     .   1    1    72     72     ARG    CB      C    13    30.260     0.280     .   1    .   .   .   .   72     ARG    CB      .   6921    1    
    871     .   1    1    72     72     ARG    CG      C    13    30.792     0.263     .   1    .   .   .   .   72     ARG    CG      .   6921    1    
    872     .   1    1    72     72     ARG    CD      C    13    44.200     0.085     .   1    .   .   .   .   72     ARG    CD      .   6921    1    
    873     .   1    1    72     72     ARG    N       N    15    118.382    0.177     .   1    .   .   .   .   72     ARG    N       .   6921    1    
    874     .   1    1    73     73     GLU    H       H    1     9.053      0.008     .   1    .   .   .   .   73     GLU    H       .   6921    1    
    875     .   1    1    73     73     GLU    HA      H    1     4.287      0.014     .   1    .   .   .   .   73     GLU    HA      .   6921    1    
    876     .   1    1    73     73     GLU    HB2     H    1     2.424      0.049     .   2    .   .   .   .   73     GLU    HB2     .   6921    1    
    877     .   1    1    73     73     GLU    HB3     H    1     2.252      0.014     .   2    .   .   .   .   73     GLU    HB3     .   6921    1    
    878     .   1    1    73     73     GLU    HG2     H    1     2.522      0.013     .   2    .   .   .   .   73     GLU    HG2     .   6921    1    
    879     .   1    1    73     73     GLU    HG3     H    1     2.485      0.019     .   2    .   .   .   .   73     GLU    HG3     .   6921    1    
    880     .   1    1    73     73     GLU    C       C    13    180.488    1.516     .   1    .   .   .   .   73     GLU    C       .   6921    1    
    881     .   1    1    73     73     GLU    CA      C    13    59.823     0.249     .   1    .   .   .   .   73     GLU    CA      .   6921    1    
    882     .   1    1    73     73     GLU    CB      C    13    29.409     0.029     .   1    .   .   .   .   73     GLU    CB      .   6921    1    
    883     .   1    1    73     73     GLU    CG      C    13    35.969     0.182     .   1    .   .   .   .   73     GLU    CG      .   6921    1    
    884     .   1    1    73     73     GLU    N       N    15    122.672    0.162     .   1    .   .   .   .   73     GLU    N       .   6921    1    
    885     .   1    1    74     74     MET    H       H    1     8.495      0.017     .   1    .   .   .   .   74     MET    H       .   6921    1    
    886     .   1    1    74     74     MET    HA      H    1     4.161      0.010     .   1    .   .   .   .   74     MET    HA      .   6921    1    
    887     .   1    1    74     74     MET    HB2     H    1     2.468      0.050     .   2    .   .   .   .   74     MET    HB2     .   6921    1    
    888     .   1    1    74     74     MET    HB3     H    1     2.228      0.012     .   2    .   .   .   .   74     MET    HB3     .   6921    1    
    889     .   1    1    74     74     MET    HG2     H    1     2.627      0.016     .   2    .   .   .   .   74     MET    HG2     .   6921    1    
    890     .   1    1    74     74     MET    HG3     H    1     2.629      0.017     .   2    .   .   .   .   74     MET    HG3     .   6921    1    
    891     .   1    1    74     74     MET    C       C    13    179.066    0.002     .   1    .   .   .   .   74     MET    C       .   6921    1    
    892     .   1    1    74     74     MET    CA      C    13    58.793     0.246     .   1    .   .   .   .   74     MET    CA      .   6921    1    
    893     .   1    1    74     74     MET    CB      C    13    33.130     0.113     .   1    .   .   .   .   74     MET    CB      .   6921    1    
    894     .   1    1    74     74     MET    CG      C    13    31.267     0.105     .   1    .   .   .   .   74     MET    CG      .   6921    1    
    895     .   1    1    74     74     MET    N       N    15    119.757    0.141     .   1    .   .   .   .   74     MET    N       .   6921    1    
    896     .   1    1    75     75     SER    H       H    1     8.237      0.010     .   1    .   .   .   .   75     SER    H       .   6921    1    
    897     .   1    1    75     75     SER    HA      H    1     3.890      0.001     .   1    .   .   .   .   75     SER    HA      .   6921    1    
    898     .   1    1    75     75     SER    HB2     H    1     3.843      0.009     .   2    .   .   .   .   75     SER    HB2     .   6921    1    
    899     .   1    1    75     75     SER    HB3     H    1     3.539      0.014     .   2    .   .   .   .   75     SER    HB3     .   6921    1    
    900     .   1    1    75     75     SER    C       C    13    174.677    0.014     .   1    .   .   .   .   75     SER    C       .   6921    1    
    901     .   1    1    75     75     SER    CA      C    13    62.237     0.151     .   1    .   .   .   .   75     SER    CA      .   6921    1    
    902     .   1    1    75     75     SER    CB      C    13    64.399     0.124     .   1    .   .   .   .   75     SER    CB      .   6921    1    
    903     .   1    1    75     75     SER    N       N    15    113.727    0.187     .   1    .   .   .   .   75     SER    N       .   6921    1    
    904     .   1    1    76     76     LYS    H       H    1     7.205      0.013     .   1    .   .   .   .   76     LYS    H       .   6921    1    
    905     .   1    1    76     76     LYS    HA      H    1     4.032      0.014     .   1    .   .   .   .   76     LYS    HA      .   6921    1    
    906     .   1    1    76     76     LYS    HB2     H    1     1.941      0.000     .   2    .   .   .   .   76     LYS    HB2     .   6921    1    
    907     .   1    1    76     76     LYS    HB3     H    1     1.925      0.010     .   2    .   .   .   .   76     LYS    HB3     .   6921    1    
    908     .   1    1    76     76     LYS    HG2     H    1     1.448      0.005     .   2    .   .   .   .   76     LYS    HG2     .   6921    1    
    909     .   1    1    76     76     LYS    HD2     H    1     1.768      0.025     .   2    .   .   .   .   76     LYS    HD2     .   6921    1    
    910     .   1    1    76     76     LYS    HD3     H    1     1.821      0.013     .   2    .   .   .   .   76     LYS    HD3     .   6921    1    
    911     .   1    1    76     76     LYS    HE2     H    1     3.038      0.018     .   2    .   .   .   .   76     LYS    HE2     .   6921    1    
    912     .   1    1    76     76     LYS    HE3     H    1     3.019      0.000     .   2    .   .   .   .   76     LYS    HE3     .   6921    1    
    913     .   1    1    76     76     LYS    C       C    13    178.542    0.010     .   1    .   .   .   .   76     LYS    C       .   6921    1    
    914     .   1    1    76     76     LYS    CA      C    13    59.169     0.199     .   1    .   .   .   .   76     LYS    CA      .   6921    1    
    915     .   1    1    76     76     LYS    CB      C    13    32.695     0.076     .   1    .   .   .   .   76     LYS    CB      .   6921    1    
    916     .   1    1    76     76     LYS    CD      C    13    29.687     0.008     .   1    .   .   .   .   76     LYS    CD      .   6921    1    
    917     .   1    1    76     76     LYS    CE      C    13    41.932     0.000     .   1    .   .   .   .   76     LYS    CE      .   6921    1    
    918     .   1    1    76     76     LYS    N       N    15    119.982    0.166     .   1    .   .   .   .   76     LYS    N       .   6921    1    
    919     .   1    1    77     77     THR    H       H    1     7.445      0.013     .   1    .   .   .   .   77     THR    H       .   6921    1    
    920     .   1    1    77     77     THR    HA      H    1     3.881      0.010     .   1    .   .   .   .   77     THR    HA      .   6921    1    
    921     .   1    1    77     77     THR    HB      H    1     3.564      0.012     .   1    .   .   .   .   77     THR    HB      .   6921    1    
    922     .   1    1    77     77     THR    HG21    H    1     0.898      0.011     .   1    .   .   .   .   77     THR    HG2     .   6921    1    
    923     .   1    1    77     77     THR    HG22    H    1     0.898      0.011     .   1    .   .   .   .   77     THR    HG2     .   6921    1    
    924     .   1    1    77     77     THR    HG23    H    1     0.898      0.011     .   1    .   .   .   .   77     THR    HG2     .   6921    1    
    925     .   1    1    77     77     THR    C       C    13    174.785    0.007     .   1    .   .   .   .   77     THR    C       .   6921    1    
    926     .   1    1    77     77     THR    CA      C    13    64.410     0.149     .   1    .   .   .   .   77     THR    CA      .   6921    1    
    927     .   1    1    77     77     THR    CB      C    13    69.158     0.323     .   1    .   .   .   .   77     THR    CB      .   6921    1    
    928     .   1    1    77     77     THR    CG2     C    13    21.115     0.123     .   1    .   .   .   .   77     THR    CG2     .   6921    1    
    929     .   1    1    77     77     THR    N       N    15    110.742    0.238     .   1    .   .   .   .   77     THR    N       .   6921    1    
    930     .   1    1    78     78     PHE    H       H    1     7.309      0.011     .   1    .   .   .   .   78     PHE    H       .   6921    1    
    931     .   1    1    78     78     PHE    HA      H    1     4.772      0.011     .   1    .   .   .   .   78     PHE    HA      .   6921    1    
    932     .   1    1    78     78     PHE    HB2     H    1     3.619      0.008     .   2    .   .   .   .   78     PHE    HB2     .   6921    1    
    933     .   1    1    78     78     PHE    HB3     H    1     2.559      0.008     .   2    .   .   .   .   78     PHE    HB3     .   6921    1    
    934     .   1    1    78     78     PHE    HD1     H    1     7.065      0.005     .   3    .   .   .   .   78     PHE    HD1     .   6921    1    
    935     .   1    1    78     78     PHE    HD2     H    1     7.064      0.003     .   3    .   .   .   .   78     PHE    HD2     .   6921    1    
    936     .   1    1    78     78     PHE    HE1     H    1     6.848      0.005     .   3    .   .   .   .   78     PHE    HE1     .   6921    1    
    937     .   1    1    78     78     PHE    HE2     H    1     6.846      0.005     .   3    .   .   .   .   78     PHE    HE2     .   6921    1    
    938     .   1    1    78     78     PHE    HZ      H    1     7.186      0.006     .   1    .   .   .   .   78     PHE    HZ      .   6921    1    
    939     .   1    1    78     78     PHE    C       C    13    174.794    0.000     .   1    .   .   .   .   78     PHE    C       .   6921    1    
    940     .   1    1    78     78     PHE    CA      C    13    57.117     0.145     .   1    .   .   .   .   78     PHE    CA      .   6921    1    
    941     .   1    1    78     78     PHE    CB      C    13    40.358     0.083     .   1    .   .   .   .   78     PHE    CB      .   6921    1    
    942     .   1    1    78     78     PHE    CD1     C    13    131.289    0.047     .   1    .   .   .   .   78     PHE    CD1     .   6921    1    
    943     .   1    1    78     78     PHE    CD2     C    13    131.252    0.080     .   1    .   .   .   .   78     PHE    CD2     .   6921    1    
    944     .   1    1    78     78     PHE    CE1     C    13    130.843    0.034     .   1    .   .   .   .   78     PHE    CE1     .   6921    1    
    945     .   1    1    78     78     PHE    CE2     C    13    130.753    0.016     .   1    .   .   .   .   78     PHE    CE2     .   6921    1    
    946     .   1    1    78     78     PHE    CZ      C    13    130.462    0.033     .   1    .   .   .   .   78     PHE    CZ      .   6921    1    
    947     .   1    1    78     78     PHE    N       N    15    117.094    0.185     .   1    .   .   .   .   78     PHE    N       .   6921    1    
    948     .   1    1    79     79     ILE    H       H    1     6.844      0.021     .   1    .   .   .   .   79     ILE    H       .   6921    1    
    949     .   1    1    79     79     ILE    HA      H    1     3.458      0.008     .   1    .   .   .   .   79     ILE    HA      .   6921    1    
    950     .   1    1    79     79     ILE    HB      H    1     1.449      0.008     .   1    .   .   .   .   79     ILE    HB      .   6921    1    
    951     .   1    1    79     79     ILE    HG12    H    1     1.310      0.010     .   2    .   .   .   .   79     ILE    HG12    .   6921    1    
    952     .   1    1    79     79     ILE    HG13    H    1     -0.227     0.019     .   2    .   .   .   .   79     ILE    HG13    .   6921    1    
    953     .   1    1    79     79     ILE    HG21    H    1     0.738      0.008     .   1    .   .   .   .   79     ILE    HG2     .   6921    1    
    954     .   1    1    79     79     ILE    HG22    H    1     0.738      0.008     .   1    .   .   .   .   79     ILE    HG2     .   6921    1    
    955     .   1    1    79     79     ILE    HG23    H    1     0.738      0.008     .   1    .   .   .   .   79     ILE    HG2     .   6921    1    
    956     .   1    1    79     79     ILE    HD11    H    1     0.803      0.011     .   1    .   .   .   .   79     ILE    HD1     .   6921    1    
    957     .   1    1    79     79     ILE    HD12    H    1     0.803      0.011     .   1    .   .   .   .   79     ILE    HD1     .   6921    1    
    958     .   1    1    79     79     ILE    HD13    H    1     0.803      0.011     .   1    .   .   .   .   79     ILE    HD1     .   6921    1    
    959     .   1    1    79     79     ILE    C       C    13    177.746    0.004     .   1    .   .   .   .   79     ILE    C       .   6921    1    
    960     .   1    1    79     79     ILE    CA      C    13    63.118     0.150     .   1    .   .   .   .   79     ILE    CA      .   6921    1    
    961     .   1    1    79     79     ILE    CB      C    13    38.686     0.179     .   1    .   .   .   .   79     ILE    CB      .   6921    1    
    962     .   1    1    79     79     ILE    CG1     C    13    29.697     0.169     .   1    .   .   .   .   79     ILE    CG1     .   6921    1    
    963     .   1    1    79     79     ILE    CG2     C    13    17.258     0.116     .   1    .   .   .   .   79     ILE    CG2     .   6921    1    
    964     .   1    1    79     79     ILE    CD1     C    13    14.056     0.116     .   1    .   .   .   .   79     ILE    CD1     .   6921    1    
    965     .   1    1    79     79     ILE    N       N    15    119.980    0.194     .   1    .   .   .   .   79     ILE    N       .   6921    1    
    966     .   1    1    80     80     ILE    H       H    1     8.565      0.015     .   1    .   .   .   .   80     ILE    H       .   6921    1    
    967     .   1    1    80     80     ILE    HA      H    1     4.557      0.009     .   1    .   .   .   .   80     ILE    HA      .   6921    1    
    968     .   1    1    80     80     ILE    HB      H    1     1.761      0.005     .   1    .   .   .   .   80     ILE    HB      .   6921    1    
    969     .   1    1    80     80     ILE    HG12    H    1     0.162      0.009     .   2    .   .   .   .   80     ILE    HG12    .   6921    1    
    970     .   1    1    80     80     ILE    HG13    H    1     -0.088     0.010     .   2    .   .   .   .   80     ILE    HG13    .   6921    1    
    971     .   1    1    80     80     ILE    HG21    H    1     0.683      0.007     .   1    .   .   .   .   80     ILE    HG2     .   6921    1    
    972     .   1    1    80     80     ILE    HG22    H    1     0.683      0.007     .   1    .   .   .   .   80     ILE    HG2     .   6921    1    
    973     .   1    1    80     80     ILE    HG23    H    1     0.683      0.007     .   1    .   .   .   .   80     ILE    HG2     .   6921    1    
    974     .   1    1    80     80     ILE    HD11    H    1     -1.171     0.012     .   1    .   .   .   .   80     ILE    HD1     .   6921    1    
    975     .   1    1    80     80     ILE    HD12    H    1     -1.171     0.012     .   1    .   .   .   .   80     ILE    HD1     .   6921    1    
    976     .   1    1    80     80     ILE    HD13    H    1     -1.171     0.012     .   1    .   .   .   .   80     ILE    HD1     .   6921    1    
    977     .   1    1    80     80     ILE    C       C    13    175.791    0.005     .   1    .   .   .   .   80     ILE    C       .   6921    1    
    978     .   1    1    80     80     ILE    CA      C    13    60.868     0.297     .   1    .   .   .   .   80     ILE    CA      .   6921    1    
    979     .   1    1    80     80     ILE    CB      C    13    39.884     0.229     .   1    .   .   .   .   80     ILE    CB      .   6921    1    
    980     .   1    1    80     80     ILE    CG1     C    13    25.784     0.155     .   1    .   .   .   .   80     ILE    CG1     .   6921    1    
    981     .   1    1    80     80     ILE    CG2     C    13    18.617     0.166     .   1    .   .   .   .   80     ILE    CG2     .   6921    1    
    982     .   1    1    80     80     ILE    CD1     C    13    12.061     0.188     .   1    .   .   .   .   80     ILE    CD1     .   6921    1    
    983     .   1    1    80     80     ILE    N       N    15    119.003    0.160     .   1    .   .   .   .   80     ILE    N       .   6921    1    
    984     .   1    1    81     81     GLY    H       H    1     7.315      0.014     .   1    .   .   .   .   81     GLY    H       .   6921    1    
    985     .   1    1    81     81     GLY    HA2     H    1     4.387      0.015     .   2    .   .   .   .   81     GLY    HA2     .   6921    1    
    986     .   1    1    81     81     GLY    HA3     H    1     4.042      0.020     .   2    .   .   .   .   81     GLY    HA3     .   6921    1    
    987     .   1    1    81     81     GLY    C       C    13    171.309    0.013     .   1    .   .   .   .   81     GLY    C       .   6921    1    
    988     .   1    1    81     81     GLY    CA      C    13    45.726     0.171     .   1    .   .   .   .   81     GLY    CA      .   6921    1    
    989     .   1    1    81     81     GLY    N       N    15    110.060    0.217     .   1    .   .   .   .   81     GLY    N       .   6921    1    
    990     .   1    1    82     82     GLU    H       H    1     9.009      0.017     .   1    .   .   .   .   82     GLU    H       .   6921    1    
    991     .   1    1    82     82     GLU    HA      H    1     5.112      0.011     .   1    .   .   .   .   82     GLU    HA      .   6921    1    
    992     .   1    1    82     82     GLU    HB2     H    1     2.175      0.018     .   2    .   .   .   .   82     GLU    HB2     .   6921    1    
    993     .   1    1    82     82     GLU    HB3     H    1     1.723      0.014     .   2    .   .   .   .   82     GLU    HB3     .   6921    1    
    994     .   1    1    82     82     GLU    HG2     H    1     2.231      0.017     .   2    .   .   .   .   82     GLU    HG2     .   6921    1    
    995     .   1    1    82     82     GLU    HG3     H    1     2.179      0.013     .   2    .   .   .   .   82     GLU    HG3     .   6921    1    
    996     .   1    1    82     82     GLU    C       C    13    175.065    0.009     .   1    .   .   .   .   82     GLU    C       .   6921    1    
    997     .   1    1    82     82     GLU    CA      C    13    54.865     0.125     .   1    .   .   .   .   82     GLU    CA      .   6921    1    
    998     .   1    1    82     82     GLU    CB      C    13    34.643     0.201     .   1    .   .   .   .   82     GLU    CB      .   6921    1    
    999     .   1    1    82     82     GLU    CG      C    13    37.031     0.103     .   1    .   .   .   .   82     GLU    CG      .   6921    1    
    1000    .   1    1    82     82     GLU    N       N    15    118.105    0.200     .   1    .   .   .   .   82     GLU    N       .   6921    1    
    1001    .   1    1    83     83     LEU    H       H    1     8.744      0.020     .   1    .   .   .   .   83     LEU    H       .   6921    1    
    1002    .   1    1    83     83     LEU    HA      H    1     4.584      0.018     .   1    .   .   .   .   83     LEU    HA      .   6921    1    
    1003    .   1    1    83     83     LEU    HB2     H    1     1.692      0.018     .   2    .   .   .   .   83     LEU    HB2     .   6921    1    
    1004    .   1    1    83     83     LEU    HB3     H    1     1.008      0.014     .   2    .   .   .   .   83     LEU    HB3     .   6921    1    
    1005    .   1    1    83     83     LEU    HG      H    1     1.816      0.008     .   1    .   .   .   .   83     LEU    HG      .   6921    1    
    1006    .   1    1    83     83     LEU    HD11    H    1     0.899      0.013     .   2    .   .   .   .   83     LEU    HD1     .   6921    1    
    1007    .   1    1    83     83     LEU    HD12    H    1     0.899      0.013     .   2    .   .   .   .   83     LEU    HD1     .   6921    1    
    1008    .   1    1    83     83     LEU    HD13    H    1     0.899      0.013     .   2    .   .   .   .   83     LEU    HD1     .   6921    1    
    1009    .   1    1    83     83     LEU    HD21    H    1     1.045      0.006     .   2    .   .   .   .   83     LEU    HD2     .   6921    1    
    1010    .   1    1    83     83     LEU    HD22    H    1     1.045      0.006     .   2    .   .   .   .   83     LEU    HD2     .   6921    1    
    1011    .   1    1    83     83     LEU    HD23    H    1     1.045      0.006     .   2    .   .   .   .   83     LEU    HD2     .   6921    1    
    1012    .   1    1    83     83     LEU    C       C    13    176.879    0.002     .   1    .   .   .   .   83     LEU    C       .   6921    1    
    1013    .   1    1    83     83     LEU    CA      C    13    54.640     0.199     .   1    .   .   .   .   83     LEU    CA      .   6921    1    
    1014    .   1    1    83     83     LEU    CB      C    13    43.496     0.068     .   1    .   .   .   .   83     LEU    CB      .   6921    1    
    1015    .   1    1    83     83     LEU    CG      C    13    25.925     0.103     .   1    .   .   .   .   83     LEU    CG      .   6921    1    
    1016    .   1    1    83     83     LEU    CD1     C    13    27.849     0.162     .   1    .   .   .   .   83     LEU    CD1     .   6921    1    
    1017    .   1    1    83     83     LEU    CD2     C    13    24.196     0.134     .   1    .   .   .   .   83     LEU    CD2     .   6921    1    
    1018    .   1    1    83     83     LEU    N       N    15    122.664    0.142     .   1    .   .   .   .   83     LEU    N       .   6921    1    
    1019    .   1    1    84     84     HIS    H       H    1     9.098      0.019     .   1    .   .   .   .   84     HIS    H       .   6921    1    
    1020    .   1    1    84     84     HIS    HA      H    1     3.755      0.006     .   1    .   .   .   .   84     HIS    HA      .   6921    1    
    1021    .   1    1    84     84     HIS    HB2     H    1     2.861      0.019     .   2    .   .   .   .   84     HIS    HB2     .   6921    1    
    1022    .   1    1    84     84     HIS    HB3     H    1     2.593      0.016     .   2    .   .   .   .   84     HIS    HB3     .   6921    1    
    1023    .   1    1    84     84     HIS    HD2     H    1     6.971      0.002     .   1    .   .   .   .   84     HIS    HD2     .   6921    1    
    1024    .   1    1    84     84     HIS    C       C    13    174.418    0.000     .   1    .   .   .   .   84     HIS    C       .   6921    1    
    1025    .   1    1    84     84     HIS    CA      C    13    57.024     0.113     .   1    .   .   .   .   84     HIS    CA      .   6921    1    
    1026    .   1    1    84     84     HIS    CB      C    13    32.070     0.063     .   1    .   .   .   .   84     HIS    CB      .   6921    1    
    1027    .   1    1    84     84     HIS    CD2     C    13    117.389    0.185     .   1    .   .   .   .   84     HIS    CD2     .   6921    1    
    1028    .   1    1    84     84     HIS    N       N    15    130.660    0.166     .   1    .   .   .   .   84     HIS    N       .   6921    1    
    1029    .   1    1    85     85     PRO    HA      H    1     3.683      0.009     .   1    .   .   .   .   85     PRO    HA      .   6921    1    
    1030    .   1    1    85     85     PRO    HB2     H    1     2.162      0.005     .   2    .   .   .   .   85     PRO    HB2     .   6921    1    
    1031    .   1    1    85     85     PRO    HB3     H    1     1.742      0.006     .   2    .   .   .   .   85     PRO    HB3     .   6921    1    
    1032    .   1    1    85     85     PRO    HG2     H    1     1.546      0.007     .   2    .   .   .   .   85     PRO    HG2     .   6921    1    
    1033    .   1    1    85     85     PRO    HG3     H    1     1.379      0.018     .   2    .   .   .   .   85     PRO    HG3     .   6921    1    
    1034    .   1    1    85     85     PRO    HD2     H    1     2.256      0.006     .   2    .   .   .   .   85     PRO    HD2     .   6921    1    
    1035    .   1    1    85     85     PRO    HD3     H    1     1.554      0.006     .   2    .   .   .   .   85     PRO    HD3     .   6921    1    
    1036    .   1    1    85     85     PRO    C       C    13    178.649    0.014     .   1    .   .   .   .   85     PRO    C       .   6921    1    
    1037    .   1    1    85     85     PRO    CA      C    13    66.244     0.100     .   1    .   .   .   .   85     PRO    CA      .   6921    1    
    1038    .   1    1    85     85     PRO    CB      C    13    32.463     0.192     .   1    .   .   .   .   85     PRO    CB      .   6921    1    
    1039    .   1    1    85     85     PRO    CG      C    13    27.353     0.113     .   1    .   .   .   .   85     PRO    CG      .   6921    1    
    1040    .   1    1    85     85     PRO    CD      C    13    50.012     0.029     .   1    .   .   .   .   85     PRO    CD      .   6921    1    
    1041    .   1    1    86     86     ASP    H       H    1     10.942     0.019     .   1    .   .   .   .   86     ASP    H       .   6921    1    
    1042    .   1    1    86     86     ASP    HA      H    1     4.447      0.018     .   1    .   .   .   .   86     ASP    HA      .   6921    1    
    1043    .   1    1    86     86     ASP    HB2     H    1     2.634      0.016     .   2    .   .   .   .   86     ASP    HB2     .   6921    1    
    1044    .   1    1    86     86     ASP    C       C    13    177.404    0.017     .   1    .   .   .   .   86     ASP    C       .   6921    1    
    1045    .   1    1    86     86     ASP    CA      C    13    57.217     0.121     .   1    .   .   .   .   86     ASP    CA      .   6921    1    
    1046    .   1    1    86     86     ASP    CB      C    13    40.062     0.128     .   1    .   .   .   .   86     ASP    CB      .   6921    1    
    1047    .   1    1    86     86     ASP    N       N    15    120.258    0.178     .   1    .   .   .   .   86     ASP    N       .   6921    1    
    1048    .   1    1    87     87     ASP    H       H    1     8.127      0.015     .   1    .   .   .   .   87     ASP    H       .   6921    1    
    1049    .   1    1    87     87     ASP    HA      H    1     4.899      0.014     .   1    .   .   .   .   87     ASP    HA      .   6921    1    
    1050    .   1    1    87     87     ASP    HB2     H    1     2.846      0.011     .   2    .   .   .   .   87     ASP    HB2     .   6921    1    
    1051    .   1    1    87     87     ASP    HB3     H    1     2.647      0.014     .   2    .   .   .   .   87     ASP    HB3     .   6921    1    
    1052    .   1    1    87     87     ASP    C       C    13    176.379    0.033     .   1    .   .   .   .   87     ASP    C       .   6921    1    
    1053    .   1    1    87     87     ASP    CA      C    13    54.751     0.170     .   1    .   .   .   .   87     ASP    CA      .   6921    1    
    1054    .   1    1    87     87     ASP    CB      C    13    43.258     0.118     .   1    .   .   .   .   87     ASP    CB      .   6921    1    
    1055    .   1    1    87     87     ASP    N       N    15    116.529    0.161     .   1    .   .   .   .   87     ASP    N       .   6921    1    
    1056    .   1    1    88     88     ARG    H       H    1     7.223      0.020     .   1    .   .   .   .   88     ARG    H       .   6921    1    
    1057    .   1    1    88     88     ARG    HA      H    1     4.072      0.014     .   1    .   .   .   .   88     ARG    HA      .   6921    1    
    1058    .   1    1    88     88     ARG    HB2     H    1     1.591      0.000     .   2    .   .   .   .   88     ARG    HB2     .   6921    1    
    1059    .   1    1    88     88     ARG    HB3     H    1     1.105      0.009     .   2    .   .   .   .   88     ARG    HB3     .   6921    1    
    1060    .   1    1    88     88     ARG    HG2     H    1     1.844      0.940     .   2    .   .   .   .   88     ARG    HG2     .   6921    1    
    1061    .   1    1    88     88     ARG    HD2     H    1     2.841      0.033     .   2    .   .   .   .   88     ARG    HD2     .   6921    1    
    1062    .   1    1    88     88     ARG    HD3     H    1     2.649      0.094     .   2    .   .   .   .   88     ARG    HD3     .   6921    1    
    1063    .   1    1    88     88     ARG    CA      C    13    60.541     0.145     .   1    .   .   .   .   88     ARG    CA      .   6921    1    
    1064    .   1    1    88     88     ARG    CB      C    13    28.516     0.273     .   1    .   .   .   .   88     ARG    CB      .   6921    1    
    1065    .   1    1    88     88     ARG    CG      C    13    28.518     0.000     .   1    .   .   .   .   88     ARG    CG      .   6921    1    
    1066    .   1    1    88     88     ARG    CD      C    13    42.168     0.090     .   1    .   .   .   .   88     ARG    CD      .   6921    1    
    1067    .   1    1    88     88     ARG    N       N    15    120.212    0.106     .   1    .   .   .   .   88     ARG    N       .   6921    1    
    1068    .   1    1    89     89     PRO    HA      H    1     4.438      0.016     .   1    .   .   .   .   89     PRO    HA      .   6921    1    
    1069    .   1    1    89     89     PRO    HB2     H    1     2.347      0.000     .   2    .   .   .   .   89     PRO    HB2     .   6921    1    
    1070    .   1    1    89     89     PRO    HB3     H    1     1.982      0.000     .   2    .   .   .   .   89     PRO    HB3     .   6921    1    
    1071    .   1    1    89     89     PRO    HG2     H    1     2.068      0.000     .   2    .   .   .   .   89     PRO    HG2     .   6921    1    
    1072    .   1    1    89     89     PRO    HD2     H    1     3.622      0.020     .   2    .   .   .   .   89     PRO    HD2     .   6921    1    
    1073    .   1    1    89     89     PRO    HD3     H    1     3.540      0.000     .   2    .   .   .   .   89     PRO    HD3     .   6921    1    
    1074    .   1    1    89     89     PRO    C       C    13    177.501    0.000     .   1    .   .   .   .   89     PRO    C       .   6921    1    
    1075    .   1    1    89     89     PRO    CA      C    13    65.179     0.129     .   1    .   .   .   .   89     PRO    CA      .   6921    1    
    1076    .   1    1    89     89     PRO    CB      C    13    31.738     0.090     .   1    .   .   .   .   89     PRO    CB      .   6921    1    
    1077    .   1    1    89     89     PRO    CG      C    13    27.545     0.000     .   1    .   .   .   .   89     PRO    CG      .   6921    1    
    1078    .   1    1    89     89     PRO    CD      C    13    49.857     0.000     .   1    .   .   .   .   89     PRO    CD      .   6921    1    
    1079    .   1    1    90     90     LYS    H       H    1     7.570      0.014     .   1    .   .   .   .   90     LYS    H       .   6921    1    
    1080    .   1    1    90     90     LYS    HA      H    1     3.761      0.001     .   1    .   .   .   .   90     LYS    HA      .   6921    1    
    1081    .   1    1    90     90     LYS    HB2     H    1     2.203      0.004     .   1    .   .   .   .   90     LYS    HB2     .   6921    1    
    1082    .   1    1    90     90     LYS    HB3     H    1     1.898      0.006     .   2    .   .   .   .   90     LYS    HB3     .   6921    1    
    1083    .   1    1    90     90     LYS    HG2     H    1     1.486      0.011     .   2    .   .   .   .   90     LYS    HG2     .   6921    1    
    1084    .   1    1    90     90     LYS    HG3     H    1     1.475      0.012     .   2    .   .   .   .   90     LYS    HG3     .   6921    1    
    1085    .   1    1    90     90     LYS    HD2     H    1     1.735      0.010     .   2    .   .   .   .   90     LYS    HD2     .   6921    1    
    1086    .   1    1    90     90     LYS    HD3     H    1     1.734      0.001     .   2    .   .   .   .   90     LYS    HD3     .   6921    1    
    1087    .   1    1    90     90     LYS    HE2     H    1     3.045      0.004     .   2    .   .   .   .   90     LYS    HE2     .   6921    1    
    1088    .   1    1    90     90     LYS    HE3     H    1     3.043      0.000     .   2    .   .   .   .   90     LYS    HE3     .   6921    1    
    1089    .   1    1    90     90     LYS    C       C    13    177.132    0.009     .   1    .   .   .   .   90     LYS    C       .   6921    1    
    1090    .   1    1    90     90     LYS    CA      C    13    57.498     0.179     .   1    .   .   .   .   90     LYS    CA      .   6921    1    
    1091    .   1    1    90     90     LYS    CB      C    13    32.647     0.068     .   1    .   .   .   .   90     LYS    CB      .   6921    1    
    1092    .   1    1    90     90     LYS    CG      C    13    24.240     0.172     .   1    .   .   .   .   90     LYS    CG      .   6921    1    
    1093    .   1    1    90     90     LYS    CD      C    13    29.071     0.125     .   1    .   .   .   .   90     LYS    CD      .   6921    1    
    1094    .   1    1    90     90     LYS    CE      C    13    42.142     0.074     .   1    .   .   .   .   90     LYS    CE      .   6921    1    
    1095    .   1    1    90     90     LYS    N       N    15    115.845    0.219     .   1    .   .   .   .   90     LYS    N       .   6921    1    
    1096    .   1    1    91     91     LEU    H       H    1     7.483      0.013     .   1    .   .   .   .   91     LEU    H       .   6921    1    
    1097    .   1    1    91     91     LEU    HA      H    1     4.436      0.003     .   1    .   .   .   .   91     LEU    HA      .   6921    1    
    1098    .   1    1    91     91     LEU    HB2     H    1     1.658      0.018     .   2    .   .   .   .   91     LEU    HB2     .   6921    1    
    1099    .   1    1    91     91     LEU    HB3     H    1     1.761      0.008     .   2    .   .   .   .   91     LEU    HB3     .   6921    1    
    1100    .   1    1    91     91     LEU    HG      H    1     1.654      0.020     .   1    .   .   .   .   91     LEU    HG      .   6921    1    
    1101    .   1    1    91     91     LEU    HD11    H    1     0.944      0.000     .   2    .   .   .   .   91     LEU    HD1     .   6921    1    
    1102    .   1    1    91     91     LEU    HD12    H    1     0.944      0.000     .   2    .   .   .   .   91     LEU    HD1     .   6921    1    
    1103    .   1    1    91     91     LEU    HD13    H    1     0.944      0.000     .   2    .   .   .   .   91     LEU    HD1     .   6921    1    
    1104    .   1    1    91     91     LEU    HD21    H    1     0.884      0.014     .   2    .   .   .   .   91     LEU    HD2     .   6921    1    
    1105    .   1    1    91     91     LEU    HD22    H    1     0.884      0.014     .   2    .   .   .   .   91     LEU    HD2     .   6921    1    
    1106    .   1    1    91     91     LEU    HD23    H    1     0.884      0.014     .   2    .   .   .   .   91     LEU    HD2     .   6921    1    
    1107    .   1    1    91     91     LEU    C       C    13    176.943    0.012     .   1    .   .   .   .   91     LEU    C       .   6921    1    
    1108    .   1    1    91     91     LEU    CA      C    13    55.350     0.088     .   1    .   .   .   .   91     LEU    CA      .   6921    1    
    1109    .   1    1    91     91     LEU    CB      C    13    42.369     0.080     .   1    .   .   .   .   91     LEU    CB      .   6921    1    
    1110    .   1    1    91     91     LEU    CG      C    13    27.196     0.101     .   1    .   .   .   .   91     LEU    CG      .   6921    1    
    1111    .   1    1    91     91     LEU    CD1     C    13    24.346     0.093     .   1    .   .   .   .   91     LEU    CD1     .   6921    1    
    1112    .   1    1    91     91     LEU    CD2     C    13    23.659     0.000     .   1    .   .   .   .   91     LEU    CD2     .   6921    1    
    1113    .   1    1    91     91     LEU    N       N    15    118.191    0.209     .   1    .   .   .   .   91     LEU    N       .   6921    1    
    1114    .   1    1    92     92     ASN    H       H    1     7.949      0.017     .   1    .   .   .   .   92     ASN    H       .   6921    1    
    1115    .   1    1    92     92     ASN    HA      H    1     4.665      0.011     .   1    .   .   .   .   92     ASN    HA      .   6921    1    
    1116    .   1    1    92     92     ASN    HB2     H    1     2.826      0.020     .   2    .   .   .   .   92     ASN    HB2     .   6921    1    
    1117    .   1    1    92     92     ASN    HB3     H    1     2.753      0.010     .   2    .   .   .   .   92     ASN    HB3     .   6921    1    
    1118    .   1    1    92     92     ASN    HD21    H    1     6.900      0.018     .   2    .   .   .   .   92     ASN    HD21    .   6921    1    
    1119    .   1    1    92     92     ASN    HD22    H    1     7.552      0.009     .   2    .   .   .   .   92     ASN    HD22    .   6921    1    
    1120    .   1    1    92     92     ASN    C       C    13    176.658    0.018     .   1    .   .   .   .   92     ASN    C       .   6921    1    
    1121    .   1    1    92     92     ASN    CA      C    13    53.515     0.123     .   1    .   .   .   .   92     ASN    CA      .   6921    1    
    1122    .   1    1    92     92     ASN    CB      C    13    39.117     0.116     .   1    .   .   .   .   92     ASN    CB      .   6921    1    
    1123    .   1    1    92     92     ASN    N       N    15    117.790    0.180     .   1    .   .   .   .   92     ASN    N       .   6921    1    
    1124    .   1    1    92     92     ASN    ND2     N    15    111.958    0.300     .   1    .   .   .   .   92     ASN    ND2     .   6921    1    
    1125    .   1    1    93     93     LYS    H       H    1     8.132      0.018     .   1    .   .   .   .   93     LYS    H       .   6921    1    
    1126    .   1    1    93     93     LYS    HA      H    1     4.633      0.004     .   1    .   .   .   .   93     LYS    HA      .   6921    1    
    1127    .   1    1    93     93     LYS    HB2     H    1     1.768      0.012     .   2    .   .   .   .   93     LYS    HB2     .   6921    1    
    1128    .   1    1    93     93     LYS    HB3     H    1     1.739      0.003     .   2    .   .   .   .   93     LYS    HB3     .   6921    1    
    1129    .   1    1    93     93     LYS    HG2     H    1     1.500      0.016     .   2    .   .   .   .   93     LYS    HG2     .   6921    1    
    1130    .   1    1    93     93     LYS    HG3     H    1     1.484      0.009     .   2    .   .   .   .   93     LYS    HG3     .   6921    1    
    1131    .   1    1    93     93     LYS    HD2     H    1     1.717      0.000     .   2    .   .   .   .   93     LYS    HD2     .   6921    1    
    1132    .   1    1    93     93     LYS    HE2     H    1     2.781      0.000     .   2    .   .   .   .   93     LYS    HE2     .   6921    1    
    1133    .   1    1    93     93     LYS    HE3     H    1     3.034      0.008     .   2    .   .   .   .   93     LYS    HE3     .   6921    1    
    1134    .   1    1    93     93     LYS    C       C    13    175.592    0.000     .   1    .   .   .   .   93     LYS    C       .   6921    1    
    1135    .   1    1    93     93     LYS    CA      C    13    54.314     0.097     .   1    .   .   .   .   93     LYS    CA      .   6921    1    
    1136    .   1    1    93     93     LYS    CB      C    13    32.680     0.134     .   1    .   .   .   .   93     LYS    CB      .   6921    1    
    1137    .   1    1    93     93     LYS    CG      C    13    24.195     0.069     .   1    .   .   .   .   93     LYS    CG      .   6921    1    
    1138    .   1    1    93     93     LYS    CD      C    13    29.084     0.000     .   1    .   .   .   .   93     LYS    CD      .   6921    1    
    1139    .   1    1    93     93     LYS    CE      C    13    42.247     0.000     .   1    .   .   .   .   93     LYS    CE      .   6921    1    
    1140    .   1    1    93     93     LYS    N       N    15    122.385    0.232     .   1    .   .   .   .   93     LYS    N       .   6921    1    
    1141    .   1    1    94     94     PRO    HA      H    1     4.733      0.016     .   1    .   .   .   .   94     PRO    HA      .   6921    1    
    1142    .   1    1    94     94     PRO    HB2     H    1     2.392      0.016     .   2    .   .   .   .   94     PRO    HB2     .   6921    1    
    1143    .   1    1    94     94     PRO    HB3     H    1     1.954      0.005     .   2    .   .   .   .   94     PRO    HB3     .   6921    1    
    1144    .   1    1    94     94     PRO    HG2     H    1     2.032      0.007     .   2    .   .   .   .   94     PRO    HG2     .   6921    1    
    1145    .   1    1    94     94     PRO    HG3     H    1     2.062      0.012     .   2    .   .   .   .   94     PRO    HG3     .   6921    1    
    1146    .   1    1    94     94     PRO    HD2     H    1     3.857      0.012     .   2    .   .   .   .   94     PRO    HD2     .   6921    1    
    1147    .   1    1    94     94     PRO    HD3     H    1     3.657      0.014     .   2    .   .   .   .   94     PRO    HD3     .   6921    1    
    1148    .   1    1    94     94     PRO    C       C    13    174.879    0.000     .   1    .   .   .   .   94     PRO    C       .   6921    1    
    1149    .   1    1    94     94     PRO    CA      C    13    61.575     0.161     .   1    .   .   .   .   94     PRO    CA      .   6921    1    
    1150    .   1    1    94     94     PRO    CB      C    13    31.006     0.132     .   1    .   .   .   .   94     PRO    CB      .   6921    1    
    1151    .   1    1    94     94     PRO    CG      C    13    27.433     0.075     .   1    .   .   .   .   94     PRO    CG      .   6921    1    
    1152    .   1    1    94     94     PRO    CD      C    13    50.799     0.101     .   1    .   .   .   .   94     PRO    CD      .   6921    1    
    1153    .   1    1    95     95     PRO    HA      H    1     4.458      0.006     .   1    .   .   .   .   95     PRO    HA      .   6921    1    
    1154    .   1    1    95     95     PRO    HB2     H    1     2.362      0.035     .   2    .   .   .   .   95     PRO    HB2     .   6921    1    
    1155    .   1    1    95     95     PRO    HB3     H    1     1.985      0.005     .   2    .   .   .   .   95     PRO    HB3     .   6921    1    
    1156    .   1    1    95     95     PRO    HG2     H    1     2.070      0.005     .   2    .   .   .   .   95     PRO    HG2     .   6921    1    
    1157    .   1    1    95     95     PRO    HG3     H    1     2.141      0.020     .   2    .   .   .   .   95     PRO    HG3     .   6921    1    
    1158    .   1    1    95     95     PRO    HD2     H    1     3.832      0.009     .   2    .   .   .   .   95     PRO    HD2     .   6921    1    
    1159    .   1    1    95     95     PRO    HD3     H    1     3.698      0.016     .   2    .   .   .   .   95     PRO    HD3     .   6921    1    
    1160    .   1    1    95     95     PRO    C       C    13    177.095    0.005     .   1    .   .   .   .   95     PRO    C       .   6921    1    
    1161    .   1    1    95     95     PRO    CA      C    13    63.455     0.145     .   1    .   .   .   .   95     PRO    CA      .   6921    1    
    1162    .   1    1    95     95     PRO    CB      C    13    32.006     0.138     .   1    .   .   .   .   95     PRO    CB      .   6921    1    
    1163    .   1    1    95     95     PRO    CG      C    13    27.580     0.234     .   1    .   .   .   .   95     PRO    CG      .   6921    1    
    1164    .   1    1    95     95     PRO    CD      C    13    50.575     0.085     .   1    .   .   .   .   95     PRO    CD      .   6921    1    
    1165    .   1    1    96     96     GLU    H       H    1     8.588      0.015     .   1    .   .   .   .   96     GLU    H       .   6921    1    
    1166    .   1    1    96     96     GLU    HA      H    1     4.412      0.000     .   1    .   .   .   .   96     GLU    HA      .   6921    1    
    1167    .   1    1    96     96     GLU    HB2     H    1     1.975      0.000     .   1    .   .   .   .   96     GLU    HB2     .   6921    1    
    1168    .   1    1    96     96     GLU    HB3     H    1     1.975      0.000     .   1    .   .   .   .   96     GLU    HB3     .   6921    1    
    1169    .   1    1    96     96     GLU    HG2     H    1     2.332      0.000     .   2    .   .   .   .   96     GLU    HG2     .   6921    1    
    1170    .   1    1    96     96     GLU    HG3     H    1     2.318      0.019     .   2    .   .   .   .   96     GLU    HG3     .   6921    1    
    1171    .   1    1    96     96     GLU    C       C    13    176.678    0.022     .   1    .   .   .   .   96     GLU    C       .   6921    1    
    1172    .   1    1    96     96     GLU    CA      C    13    57.261     0.088     .   1    .   .   .   .   96     GLU    CA      .   6921    1    
    1173    .   1    1    96     96     GLU    CB      C    13    30.493     0.084     .   1    .   .   .   .   96     GLU    CB      .   6921    1    
    1174    .   1    1    96     96     GLU    N       N    15    120.440    0.201     .   1    .   .   .   .   96     GLU    N       .   6921    1    
    1175    .   1    1    97     97     THR    H       H    1     8.116      0.013     .   1    .   .   .   .   97     THR    H       .   6921    1    
    1176    .   1    1    97     97     THR    HA      H    1     4.363      0.015     .   1    .   .   .   .   97     THR    HA      .   6921    1    
    1177    .   1    1    97     97     THR    HB      H    1     4.223      0.002     .   1    .   .   .   .   97     THR    HB      .   6921    1    
    1178    .   1    1    97     97     THR    HG21    H    1     1.229      0.015     .   1    .   .   .   .   97     THR    HG2     .   6921    1    
    1179    .   1    1    97     97     THR    HG22    H    1     1.229      0.015     .   1    .   .   .   .   97     THR    HG2     .   6921    1    
    1180    .   1    1    97     97     THR    HG23    H    1     1.229      0.015     .   1    .   .   .   .   97     THR    HG2     .   6921    1    
    1181    .   1    1    97     97     THR    C       C    13    174.091    0.000     .   1    .   .   .   .   97     THR    C       .   6921    1    
    1182    .   1    1    97     97     THR    CA      C    13    62.372     0.085     .   1    .   .   .   .   97     THR    CA      .   6921    1    
    1183    .   1    1    97     97     THR    CB      C    13    70.120     0.127     .   1    .   .   .   .   97     THR    CB      .   6921    1    
    1184    .   1    1    97     97     THR    CG2     C    13    21.614     0.044     .   1    .   .   .   .   97     THR    CG2     .   6921    1    
    1185    .   1    1    97     97     THR    N       N    15    114.965    0.187     .   1    .   .   .   .   97     THR    N       .   6921    1    
    1186    .   1    1    98     98     LEU    H       H    1     8.197      0.011     .   1    .   .   .   .   98     LEU    H       .   6921    1    
    1187    .   1    1    98     98     LEU    HA      H    1     4.399      0.008     .   1    .   .   .   .   98     LEU    HA      .   6921    1    
    1188    .   1    1    98     98     LEU    HB2     H    1     1.683      0.012     .   2    .   .   .   .   98     LEU    HB2     .   6921    1    
    1189    .   1    1    98     98     LEU    HB3     H    1     1.699      0.005     .   2    .   .   .   .   98     LEU    HB3     .   6921    1    
    1190    .   1    1    98     98     LEU    HG      H    1     0.949      0.000     .   1    .   .   .   .   98     LEU    HG      .   6921    1    
    1191    .   1    1    98     98     LEU    HD11    H    1     0.949      0.000     .   2    .   .   .   .   98     LEU    HD1     .   6921    1    
    1192    .   1    1    98     98     LEU    HD12    H    1     0.949      0.000     .   2    .   .   .   .   98     LEU    HD1     .   6921    1    
    1193    .   1    1    98     98     LEU    HD13    H    1     0.949      0.000     .   2    .   .   .   .   98     LEU    HD1     .   6921    1    
    1194    .   1    1    98     98     LEU    HD21    H    1     0.879      0.007     .   2    .   .   .   .   98     LEU    HD2     .   6921    1    
    1195    .   1    1    98     98     LEU    HD22    H    1     0.879      0.007     .   2    .   .   .   .   98     LEU    HD2     .   6921    1    
    1196    .   1    1    98     98     LEU    HD23    H    1     0.879      0.007     .   2    .   .   .   .   98     LEU    HD2     .   6921    1    
    1197    .   1    1    98     98     LEU    C       C    13    176.323    0.000     .   1    .   .   .   .   98     LEU    C       .   6921    1    
    1198    .   1    1    98     98     LEU    CA      C    13    55.474     0.178     .   1    .   .   .   .   98     LEU    CA      .   6921    1    
    1199    .   1    1    98     98     LEU    CB      C    13    42.409     0.185     .   1    .   .   .   .   98     LEU    CB      .   6921    1    
    1200    .   1    1    98     98     LEU    CG      C    13    25.363     0.000     .   1    .   .   .   .   98     LEU    CG      .   6921    1    
    1201    .   1    1    98     98     LEU    CD1     C    13    25.363     0.000     .   1    .   .   .   .   98     LEU    CD1     .   6921    1    
    1202    .   1    1    98     98     LEU    CD2     C    13    23.398     0.143     .   1    .   .   .   .   98     LEU    CD2     .   6921    1    
    1203    .   1    1    98     98     LEU    N       N    15    124.886    0.153     .   1    .   .   .   .   98     LEU    N       .   6921    1    
    1204    .   1    1    99     99     ILE    H       H    1     8.131      0.023     .   1    .   .   .   .   99     ILE    H       .   6921    1    
    1205    .   1    1    99     99     ILE    HA      H    1     4.289      0.013     .   1    .   .   .   .   99     ILE    HA      .   6921    1    
    1206    .   1    1    99     99     ILE    HB      H    1     1.975      0.027     .   1    .   .   .   .   99     ILE    HB      .   6921    1    
    1207    .   1    1    99     99     ILE    HG12    H    1     1.497      0.007     .   2    .   .   .   .   99     ILE    HG12    .   6921    1    
    1208    .   1    1    99     99     ILE    HG13    H    1     1.263      0.021     .   2    .   .   .   .   99     ILE    HG13    .   6921    1    
    1209    .   1    1    99     99     ILE    HG21    H    1     1.015      0.017     .   1    .   .   .   .   99     ILE    HG2     .   6921    1    
    1210    .   1    1    99     99     ILE    HG22    H    1     1.015      0.017     .   1    .   .   .   .   99     ILE    HG2     .   6921    1    
    1211    .   1    1    99     99     ILE    HG23    H    1     1.015      0.017     .   1    .   .   .   .   99     ILE    HG2     .   6921    1    
    1212    .   1    1    99     99     ILE    HD11    H    1     0.950      0.003     .   1    .   .   .   .   99     ILE    HD1     .   6921    1    
    1213    .   1    1    99     99     ILE    HD12    H    1     0.950      0.003     .   1    .   .   .   .   99     ILE    HD1     .   6921    1    
    1214    .   1    1    99     99     ILE    HD13    H    1     0.950      0.003     .   1    .   .   .   .   99     ILE    HD1     .   6921    1    
    1215    .   1    1    99     99     ILE    C       C    13    174.012    0.000     .   1    .   .   .   .   99     ILE    C       .   6921    1    
    1216    .   1    1    99     99     ILE    CA      C    13    61.340     0.210     .   1    .   .   .   .   99     ILE    CA      .   6921    1    
    1217    .   1    1    99     99     ILE    CB      C    13    38.676     0.105     .   1    .   .   .   .   99     ILE    CB      .   6921    1    
    1218    .   1    1    99     99     ILE    CG1     C    13    27.140     0.092     .   1    .   .   .   .   99     ILE    CG1     .   6921    1    
    1219    .   1    1    99     99     ILE    CG2     C    13    17.119     0.203     .   1    .   .   .   .   99     ILE    CG2     .   6921    1    
    1220    .   1    1    99     99     ILE    CD1     C    13    13.561     0.241     .   1    .   .   .   .   99     ILE    CD1     .   6921    1    
    1221    .   1    1    99     99     ILE    N       N    15    122.176    0.119     .   1    .   .   .   .   99     ILE    N       .   6921    1    
    1222    .   1    1    100    100    THR    H       H    1     8.233      0.012     .   1    .   .   .   .   100    THR    H       .   6921    1    
    1223    .   1    1    100    100    THR    HA      H    1     4.208      0.018     .   1    .   .   .   .   100    THR    HA      .   6921    1    
    1224    .   1    1    100    100    THR    HB      H    1     4.234      0.022     .   1    .   .   .   .   100    THR    HB      .   6921    1    
    1225    .   1    1    100    100    THR    HG21    H    1     1.194      0.011     .   1    .   .   .   .   100    THR    HG2     .   6921    1    
    1226    .   1    1    100    100    THR    HG22    H    1     1.194      0.011     .   1    .   .   .   .   100    THR    HG2     .   6921    1    
    1227    .   1    1    100    100    THR    HG23    H    1     1.194      0.011     .   1    .   .   .   .   100    THR    HG2     .   6921    1    
    1228    .   1    1    100    100    THR    C       C    13    173.651    0.000     .   1    .   .   .   .   100    THR    C       .   6921    1    
    1229    .   1    1    100    100    THR    CA      C    13    61.910     0.269     .   1    .   .   .   .   100    THR    CA      .   6921    1    
    1230    .   1    1    100    100    THR    CB      C    13    70.251     0.220     .   1    .   .   .   .   100    THR    CB      .   6921    1    
    1231    .   1    1    100    100    THR    CG2     C    13    20.839     0.020     .   1    .   .   .   .   100    THR    CG2     .   6921    1    
    1232    .   1    1    100    100    THR    N       N    15    118.138    0.149     .   1    .   .   .   .   100    THR    N       .   6921    1    
    1233    .   1    1    101    101    THR    H       H    1     8.161      0.035     .   1    .   .   .   .   101    THR    H       .   6921    1    
    1234    .   1    1    101    101    THR    HB      H    1     4.467      0.005     .   1    .   .   .   .   101    THR    HB      .   6921    1    
    1235    .   1    1    101    101    THR    HG21    H    1     1.585      0.001     .   1    .   .   .   .   101    THR    HG2     .   6921    1    
    1236    .   1    1    101    101    THR    HG22    H    1     1.585      0.001     .   1    .   .   .   .   101    THR    HG2     .   6921    1    
    1237    .   1    1    101    101    THR    HG23    H    1     1.585      0.001     .   1    .   .   .   .   101    THR    HG2     .   6921    1    
    1238    .   1    1    101    101    THR    CA      C    13    61.959     0.177     .   1    .   .   .   .   101    THR    CA      .   6921    1    
    1239    .   1    1    101    101    THR    CB      C    13    70.342     0.199     .   1    .   .   .   .   101    THR    CB      .   6921    1    
    1240    .   1    1    101    101    THR    CG2     C    13    22.474     0.000     .   1    .   .   .   .   101    THR    CG2     .   6921    1    
    1241    .   1    1    101    101    THR    N       N    15    122.471    0.102     .   1    .   .   .   .   101    THR    N       .   6921    1    
    1242    .   1    1    102    102    ILE    H       H    1     8.116      0.021     .   1    .   .   .   .   102    ILE    H       .   6921    1    
    1243    .   1    1    102    102    ILE    HA      H    1     4.386      0.184     .   1    .   .   .   .   102    ILE    HA      .   6921    1    
    1244    .   1    1    102    102    ILE    HB      H    1     1.911      0.006     .   1    .   .   .   .   102    ILE    HB      .   6921    1    
    1245    .   1    1    102    102    ILE    HG12    H    1     1.510      0.013     .   2    .   .   .   .   102    ILE    HG12    .   6921    1    
    1246    .   1    1    102    102    ILE    HG13    H    1     1.232      0.017     .   2    .   .   .   .   102    ILE    HG13    .   6921    1    
    1247    .   1    1    102    102    ILE    HG21    H    1     0.943      0.001     .   1    .   .   .   .   102    ILE    HG2     .   6921    1    
    1248    .   1    1    102    102    ILE    HG22    H    1     0.943      0.001     .   1    .   .   .   .   102    ILE    HG2     .   6921    1    
    1249    .   1    1    102    102    ILE    HG23    H    1     0.943      0.001     .   1    .   .   .   .   102    ILE    HG2     .   6921    1    
    1250    .   1    1    102    102    ILE    HD11    H    1     0.887      0.003     .   1    .   .   .   .   102    ILE    HD1     .   6921    1    
    1251    .   1    1    102    102    ILE    HD12    H    1     0.887      0.003     .   1    .   .   .   .   102    ILE    HD1     .   6921    1    
    1252    .   1    1    102    102    ILE    HD13    H    1     0.887      0.003     .   1    .   .   .   .   102    ILE    HD1     .   6921    1    
    1253    .   1    1    102    102    ILE    C       C    13    174.144    0.000     .   1    .   .   .   .   102    ILE    C       .   6921    1    
    1254    .   1    1    102    102    ILE    CA      C    13    61.469     0.283     .   1    .   .   .   .   102    ILE    CA      .   6921    1    
    1255    .   1    1    102    102    ILE    CB      C    13    38.932     0.276     .   1    .   .   .   .   102    ILE    CB      .   6921    1    
    1256    .   1    1    102    102    ILE    CG1     C    13    27.336     0.177     .   1    .   .   .   .   102    ILE    CG1     .   6921    1    
    1257    .   1    1    102    102    ILE    CG2     C    13    17.492     0.079     .   1    .   .   .   .   102    ILE    CG2     .   6921    1    
    1258    .   1    1    102    102    ILE    CD1     C    13    12.779     0.104     .   1    .   .   .   .   102    ILE    CD1     .   6921    1    
    1259    .   1    1    102    102    ILE    N       N    15    116.466    0.211     .   1    .   .   .   .   102    ILE    N       .   6921    1    
    1260    .   1    1    103    103    ASP    H       H    1     8.389      0.010     .   1    .   .   .   .   103    ASP    H       .   6921    1    
    1261    .   1    1    103    103    ASP    HA      H    1     4.622      0.023     .   1    .   .   .   .   103    ASP    HA      .   6921    1    
    1262    .   1    1    103    103    ASP    HB2     H    1     2.659      0.004     .   2    .   .   .   .   103    ASP    HB2     .   6921    1    
    1263    .   1    1    103    103    ASP    HB3     H    1     2.708      0.024     .   2    .   .   .   .   103    ASP    HB3     .   6921    1    
    1264    .   1    1    103    103    ASP    C       C    13    174.182    0.000     .   1    .   .   .   .   103    ASP    C       .   6921    1    
    1265    .   1    1    103    103    ASP    CA      C    13    54.461     0.205     .   1    .   .   .   .   103    ASP    CA      .   6921    1    
    1266    .   1    1    103    103    ASP    CB      C    13    41.407     0.239     .   1    .   .   .   .   103    ASP    CB      .   6921    1    
    1267    .   1    1    103    103    ASP    N       N    15    124.121    0.128     .   1    .   .   .   .   103    ASP    N       .   6921    1    
  stop_

save_