data_5185

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

save_entry_information
   _Entry.Sf_category                    entry_information
   _Entry.Sf_framecode                   entry_information
   _Entry.ID                             5185
   _Entry.Title                         
;
1H, 13C, and 15N resonance assignment of the vascular endothelial growth factor 
receptor-binding domain in complex with a receptor-blocking peptide
;
   _Entry.Type                           .
   _Entry.Version_type                   original
   _Entry.Submission_date                2001-10-19
   _Entry.Accession_date                 2001-10-22
   _Entry.Last_release_date              2002-05-07
   _Entry.Original_release_date          2002-05-07
   _Entry.Origination                    author
   _Entry.NMR_STAR_version               3.1.1.61
   _Entry.Original_NMR_STAR_version      2.1
   _Entry.Experimental_method            NMR
   _Entry.Experimental_method_subtype    .
   _Entry.Details                        .
   _Entry.BMRB_internal_directory_name   .

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

      1 Borlan Pan         . .  . 5185 
      2 Wayne  Fairbrother . J. . 5185 

   stop_

   loop_
      _Data_set.Type
      _Data_set.Count
      _Data_set.Entry_ID

      assigned_chemical_shifts 1 5185 

   stop_

   loop_
      _Datum.Type
      _Datum.Count
      _Datum.Entry_ID

      '1H chemical shifts'  693 5185 
      '13C chemical shifts' 444 5185 
      '15N chemical shifts'  97 5185 

   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 . . 2002-05-07 2001-10-19 original author . 5185 

   stop_

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

      BMRB 5186 'Assignments for vascular endothelial growth factor in free form'         5185 
      BMRB 5198 'Assignments for v107 in complex with vascular endothelial growth factor' 5185 

   stop_

save_


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

save_entry_citation
   _Citation.Sf_category                  citations
   _Citation.Sf_framecode                 entry_citation
   _Citation.Entry_ID                     5185
   _Citation.ID                           1
   _Citation.Class                       'entry citation'
   _Citation.CAS_abstract_code            .
   _Citation.MEDLINE_UI_code              21880667
   _Citation.DOI                          .
   _Citation.PubMed_ID                    11883783
   _Citation.Full_citation                .
   _Citation.Title                       
;
Letter to the Editor: 1H, 13C, and 15N Resonance Assignment of the Vascular Endothelial Growth Factor 
Receptor-binding Domain in Complex with a Receptor-blocking Peptide
;
   _Citation.Status                       published
   _Citation.Type                         journal
   _Citation.Journal_abbrev              'J. Biomol. NMR'
   _Citation.Journal_name_full            .
   _Citation.Journal_volume               22
   _Citation.Journal_issue                2
   _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                   189
   _Citation.Page_last                    190
   _Citation.Year                         2002
   _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 Borlan Pan         . .  . 5185 1 
      2 Wayne  Fairbrother . J. . 5185 1 

   stop_

   loop_
      _Citation_keyword.Keyword
      _Citation_keyword.Entry_ID
      _Citation_keyword.Citation_ID

      'vascular endothelial growth factor' 5185 1 

   stop_

save_


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

save_system_VEGF
   _Assembly.Sf_category                       assembly
   _Assembly.Sf_framecode                      system_VEGF
   _Assembly.Entry_ID                          5185
   _Assembly.ID                                1
   _Assembly.Name                             'vascular endothelial growth factor receptor-binding domain dimer in complex with peptide v107'
   _Assembly.BMRB_code                         .
   _Assembly.Number_of_components              .
   _Assembly.Organic_ligands                   .
   _Assembly.Metal_ions                        .
   _Assembly.Non_standard_bonds                .
   _Assembly.Ambiguous_conformational_states   .
   _Assembly.Ambiguous_chem_comp_sites         .
   _Assembly.Molecules_in_chemical_exchange    .
   _Assembly.Paramagnetic                      no
   _Assembly.Thiol_state                      'all disulfide bound'
   _Assembly.Molecular_mass                    27936.78
   _Assembly.Enzyme_commission_number          .
   _Assembly.Details                           .
   _Assembly.DB_query_date                     .
   _Assembly.DB_query_revised_last_date        .

   loop_
      _Assembly_type.Type
      _Assembly_type.Entry_ID
      _Assembly_type.Assembly_ID

      dimer 5185 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 'VEGF subunit 1' 1 $VEGF . . . native . . 1 . . 5185 1 
      2 'VEGF subunit 2' 1 $VEGF . . . native . . 1 . . 5185 1 
      3 'v107 subunit 1' 2 $v107 . . . native . . 2 . . 5185 1 
      4 'v107 subunit 2' 2 $v107 . . . native . . 2 . . 5185 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 disulfide single . 1 . . CYS 16 16 SG . 1 . 1 CYS 58 58 SG . . . . . . . . . . 5185 1 
       2 disulfide single . 1 . . CYS 47 47 SG . 1 . 1 CYS 92 92 SG . . . . . . . . . . 5185 1 
       3 disulfide single . 1 . . CYS 51 51 SG . 1 . 1 CYS 94 94 SG . . . . . . . . . . 5185 1 
       4 disulfide single . 1 . . CYS 41 41 SG . 2 . 1 CYS 50 50 SG . . . . . . . . . . 5185 1 
       5 disulfide single . 2 . . CYS 16 16 SG . 2 . 1 CYS 58 58 SG . . . . . . . . . . 5185 1 
       6 disulfide single . 2 . . CYS 47 47 SG . 2 . 1 CYS 92 92 SG . . . . . . . . . . 5185 1 
       7 disulfide single . 2 . . CYS 51 51 SG . 2 . 1 CYS 94 94 SG . . . . . . . . . . 5185 1 
       8 disulfide single . 2 . . CYS 41 41 SG . 1 . 1 CYS 50 50 SG . . . . . . . . . . 5185 1 
       9 disulfide single . 3 . . CYS  5  5 SG . 3 . 2 CYS 15 15 SG . . . . . . . . . . 5185 1 
      10 disulfide single . 4 . . CYS  5  5 SG . 4 . 2 CYS 15 15 SG . . . . . . . . . . 5185 1 

   stop_

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

      'vascular endothelial growth factor receptor-binding domain dimer in complex with peptide v107' system       5185 1 
       VEGF                                                                                           abbreviation 5185 1 

   stop_

save_


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

save_VEGF
   _Entity.Sf_category                       entity
   _Entity.Sf_framecode                      VEGF
   _Entity.Entry_ID                          5185
   _Entity.ID                                1
   _Entity.BMRB_code                         .
   _Entity.Name                             'vascular endothelial growth factor'
   _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      
;
HHEVVKFMDVYQRSYCHPIE
TLVDIFQEYPDEIEYIFKPS
CVPLMRCGGCCNDEGLECVP
TEESNITMQIMRIKPHQGQH
IGEMSFLQHNKCECRPKKD
;
   _Entity.Target_identifier                 .
   _Entity.Polymer_author_defined_seq        .
   _Entity.Polymer_author_seq_details        .
   _Entity.Ambiguous_conformational_states   .
   _Entity.Ambiguous_chem_comp_sites         .
   _Entity.Nstd_monomer                      .
   _Entity.Nstd_chirality                    .
   _Entity.Nstd_linkage                      .
   _Entity.Nonpolymer_comp_ID                .
   _Entity.Nonpolymer_comp_label             .
   _Entity.Number_of_monomers                99
   _Entity.Number_of_nonpolymer_components   .
   _Entity.Paramagnetic                      .
   _Entity.Thiol_state                      'all disulfide bound'
   _Entity.Src_method                        .
   _Entity.Parent_entity_ID                  .
   _Entity.Fragment                          .
   _Entity.Mutation                          .
   _Entity.EC_number                         .
   _Entity.Calc_isoelectric_point            .
   _Entity.Formula_weight                    11625.4
   _Entity.Formula_weight_exptl              .
   _Entity.Formula_weight_exptl_meth         .
   _Entity.Details                           .
   _Entity.DB_query_date                     .
   _Entity.DB_query_revised_last_date        2015-01-28

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

      1 no PDB 1KAT . "Solution Structure Of A Phage-Derived Peptide Antagonist In Complex With Vascular Endothelial Growth Factor" . . . . . 100.00 19 100.00 100.00 3.53e-04 . . . . 5185 1 

   stop_

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

      'vascular endothelial growth factor' common       5185 1 
       VEGF(11-109)                        variant      5185 1 
       VEGF                                abbreviation 5185 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  11 HIS . 5185 1 
       2  12 HIS . 5185 1 
       3  13 GLU . 5185 1 
       4  14 VAL . 5185 1 
       5  15 VAL . 5185 1 
       6  16 LYS . 5185 1 
       7  17 PHE . 5185 1 
       8  18 MET . 5185 1 
       9  19 ASP . 5185 1 
      10  20 VAL . 5185 1 
      11  21 TYR . 5185 1 
      12  22 GLN . 5185 1 
      13  23 ARG . 5185 1 
      14  24 SER . 5185 1 
      15  25 TYR . 5185 1 
      16  26 CYS . 5185 1 
      17  27 HIS . 5185 1 
      18  28 PRO . 5185 1 
      19  29 ILE . 5185 1 
      20  30 GLU . 5185 1 
      21  31 THR . 5185 1 
      22  32 LEU . 5185 1 
      23  33 VAL . 5185 1 
      24  34 ASP . 5185 1 
      25  35 ILE . 5185 1 
      26  36 PHE . 5185 1 
      27  37 GLN . 5185 1 
      28  38 GLU . 5185 1 
      29  39 TYR . 5185 1 
      30  40 PRO . 5185 1 
      31  41 ASP . 5185 1 
      32  42 GLU . 5185 1 
      33  43 ILE . 5185 1 
      34  44 GLU . 5185 1 
      35  45 TYR . 5185 1 
      36  46 ILE . 5185 1 
      37  47 PHE . 5185 1 
      38  48 LYS . 5185 1 
      39  49 PRO . 5185 1 
      40  50 SER . 5185 1 
      41  51 CYS . 5185 1 
      42  52 VAL . 5185 1 
      43  53 PRO . 5185 1 
      44  54 LEU . 5185 1 
      45  55 MET . 5185 1 
      46  56 ARG . 5185 1 
      47  57 CYS . 5185 1 
      48  58 GLY . 5185 1 
      49  59 GLY . 5185 1 
      50  60 CYS . 5185 1 
      51  61 CYS . 5185 1 
      52  62 ASN . 5185 1 
      53  63 ASP . 5185 1 
      54  64 GLU . 5185 1 
      55  65 GLY . 5185 1 
      56  66 LEU . 5185 1 
      57  67 GLU . 5185 1 
      58  68 CYS . 5185 1 
      59  69 VAL . 5185 1 
      60  70 PRO . 5185 1 
      61  71 THR . 5185 1 
      62  72 GLU . 5185 1 
      63  73 GLU . 5185 1 
      64  74 SER . 5185 1 
      65  75 ASN . 5185 1 
      66  76 ILE . 5185 1 
      67  77 THR . 5185 1 
      68  78 MET . 5185 1 
      69  79 GLN . 5185 1 
      70  80 ILE . 5185 1 
      71  81 MET . 5185 1 
      72  82 ARG . 5185 1 
      73  83 ILE . 5185 1 
      74  84 LYS . 5185 1 
      75  85 PRO . 5185 1 
      76  86 HIS . 5185 1 
      77  87 GLN . 5185 1 
      78  88 GLY . 5185 1 
      79  89 GLN . 5185 1 
      80  90 HIS . 5185 1 
      81  91 ILE . 5185 1 
      82  92 GLY . 5185 1 
      83  93 GLU . 5185 1 
      84  94 MET . 5185 1 
      85  95 SER . 5185 1 
      86  96 PHE . 5185 1 
      87  97 LEU . 5185 1 
      88  98 GLN . 5185 1 
      89  99 HIS . 5185 1 
      90 100 ASN . 5185 1 
      91 101 LYS . 5185 1 
      92 102 CYS . 5185 1 
      93 103 GLU . 5185 1 
      94 104 CYS . 5185 1 
      95 105 ARG . 5185 1 
      96 106 PRO . 5185 1 
      97 107 LYS . 5185 1 
      98 108 LYS . 5185 1 
      99 109 ASP . 5185 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

      . HIS  1  1 5185 1 
      . HIS  2  2 5185 1 
      . GLU  3  3 5185 1 
      . VAL  4  4 5185 1 
      . VAL  5  5 5185 1 
      . LYS  6  6 5185 1 
      . PHE  7  7 5185 1 
      . MET  8  8 5185 1 
      . ASP  9  9 5185 1 
      . VAL 10 10 5185 1 
      . TYR 11 11 5185 1 
      . GLN 12 12 5185 1 
      . ARG 13 13 5185 1 
      . SER 14 14 5185 1 
      . TYR 15 15 5185 1 
      . CYS 16 16 5185 1 
      . HIS 17 17 5185 1 
      . PRO 18 18 5185 1 
      . ILE 19 19 5185 1 
      . GLU 20 20 5185 1 
      . THR 21 21 5185 1 
      . LEU 22 22 5185 1 
      . VAL 23 23 5185 1 
      . ASP 24 24 5185 1 
      . ILE 25 25 5185 1 
      . PHE 26 26 5185 1 
      . GLN 27 27 5185 1 
      . GLU 28 28 5185 1 
      . TYR 29 29 5185 1 
      . PRO 30 30 5185 1 
      . ASP 31 31 5185 1 
      . GLU 32 32 5185 1 
      . ILE 33 33 5185 1 
      . GLU 34 34 5185 1 
      . TYR 35 35 5185 1 
      . ILE 36 36 5185 1 
      . PHE 37 37 5185 1 
      . LYS 38 38 5185 1 
      . PRO 39 39 5185 1 
      . SER 40 40 5185 1 
      . CYS 41 41 5185 1 
      . VAL 42 42 5185 1 
      . PRO 43 43 5185 1 
      . LEU 44 44 5185 1 
      . MET 45 45 5185 1 
      . ARG 46 46 5185 1 
      . CYS 47 47 5185 1 
      . GLY 48 48 5185 1 
      . GLY 49 49 5185 1 
      . CYS 50 50 5185 1 
      . CYS 51 51 5185 1 
      . ASN 52 52 5185 1 
      . ASP 53 53 5185 1 
      . GLU 54 54 5185 1 
      . GLY 55 55 5185 1 
      . LEU 56 56 5185 1 
      . GLU 57 57 5185 1 
      . CYS 58 58 5185 1 
      . VAL 59 59 5185 1 
      . PRO 60 60 5185 1 
      . THR 61 61 5185 1 
      . GLU 62 62 5185 1 
      . GLU 63 63 5185 1 
      . SER 64 64 5185 1 
      . ASN 65 65 5185 1 
      . ILE 66 66 5185 1 
      . THR 67 67 5185 1 
      . MET 68 68 5185 1 
      . GLN 69 69 5185 1 
      . ILE 70 70 5185 1 
      . MET 71 71 5185 1 
      . ARG 72 72 5185 1 
      . ILE 73 73 5185 1 
      . LYS 74 74 5185 1 
      . PRO 75 75 5185 1 
      . HIS 76 76 5185 1 
      . GLN 77 77 5185 1 
      . GLY 78 78 5185 1 
      . GLN 79 79 5185 1 
      . HIS 80 80 5185 1 
      . ILE 81 81 5185 1 
      . GLY 82 82 5185 1 
      . GLU 83 83 5185 1 
      . MET 84 84 5185 1 
      . SER 85 85 5185 1 
      . PHE 86 86 5185 1 
      . LEU 87 87 5185 1 
      . GLN 88 88 5185 1 
      . HIS 89 89 5185 1 
      . ASN 90 90 5185 1 
      . LYS 91 91 5185 1 
      . CYS 92 92 5185 1 
      . GLU 93 93 5185 1 
      . CYS 94 94 5185 1 
      . ARG 95 95 5185 1 
      . PRO 96 96 5185 1 
      . LYS 97 97 5185 1 
      . LYS 98 98 5185 1 
      . ASP 99 99 5185 1 

   stop_

save_


save_v107
   _Entity.Sf_category                       entity
   _Entity.Sf_framecode                      v107
   _Entity.Entry_ID                          5185
   _Entity.ID                                2
   _Entity.BMRB_code                         .
   _Entity.Name                             'v107 peptide'
   _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       GGNECDIARMWEWECFERL
   _Entity.Target_identifier                 .
   _Entity.Polymer_author_defined_seq        .
   _Entity.Polymer_author_seq_details        .
   _Entity.Ambiguous_conformational_states   .
   _Entity.Ambiguous_chem_comp_sites         .
   _Entity.Nstd_monomer                      .
   _Entity.Nstd_chirality                    .
   _Entity.Nstd_linkage                      .
   _Entity.Nonpolymer_comp_ID                .
   _Entity.Nonpolymer_comp_label             .
   _Entity.Number_of_monomers                19
   _Entity.Number_of_nonpolymer_components   .
   _Entity.Paramagnetic                      .
   _Entity.Thiol_state                      'all disulfide bound'
   _Entity.Src_method                        .
   _Entity.Parent_entity_ID                  .
   _Entity.Fragment                          .
   _Entity.Mutation                          .
   _Entity.EC_number                         .
   _Entity.Calc_isoelectric_point            .
   _Entity.Formula_weight                    2343.0
   _Entity.Formula_weight_exptl              .
   _Entity.Formula_weight_exptl_meth         .
   _Entity.Details                           .
   _Entity.DB_query_date                     2008-08-19
   _Entity.DB_query_revised_last_date        2008-08-19

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

      . . BMRB 5198 . 'v107 peptide'                                                                                                . . . . . 100.00 19 100.00 100.00 1.14e-02 . . . . 5185 2 
      . . PDB  1KAT  . 'Solution Structure Of A Phage-Derived Peptide Antagonist In Complex With Vascular Endothelial Growth Factor' . . . . . 100.00 19 100.00 100.00 1.14e-02 . . . . 5185 2 

   stop_

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

      'v107 peptide' common       5185 2 
       v107          variant      5185 2 
       v107          abbreviation 5185 2 

   stop_

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

       1 . GLY . 5185 2 
       2 . GLY . 5185 2 
       3 . ASN . 5185 2 
       4 . GLU . 5185 2 
       5 . CYS . 5185 2 
       6 . ASP . 5185 2 
       7 . ILE . 5185 2 
       8 . ALA . 5185 2 
       9 . ARG . 5185 2 
      10 . MET . 5185 2 
      11 . TRP . 5185 2 
      12 . GLU . 5185 2 
      13 . TRP . 5185 2 
      14 . GLU . 5185 2 
      15 . CYS . 5185 2 
      16 . PHE . 5185 2 
      17 . GLU . 5185 2 
      18 . ARG . 5185 2 
      19 . LEU . 5185 2 

   stop_

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

      . GLY  1  1 5185 2 
      . GLY  2  2 5185 2 
      . ASN  3  3 5185 2 
      . GLU  4  4 5185 2 
      . CYS  5  5 5185 2 
      . ASP  6  6 5185 2 
      . ILE  7  7 5185 2 
      . ALA  8  8 5185 2 
      . ARG  9  9 5185 2 
      . MET 10 10 5185 2 
      . TRP 11 11 5185 2 
      . GLU 12 12 5185 2 
      . TRP 13 13 5185 2 
      . GLU 14 14 5185 2 
      . CYS 15 15 5185 2 
      . PHE 16 16 5185 2 
      . GLU 17 17 5185 2 
      . ARG 18 18 5185 2 
      . LEU 19 19 5185 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       5185
   _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 $VEGF . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5185 1 
      2 2 $v107 .     . . .  .             .     . . .         .       .    .       . . . . . . . . . . . . . . . . . . . . . 5185 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       5185
   _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 $VEGF . 'recombinant technology' . 'E. coli' . . . . . . . . . . . . . . . . . . . . . . . . . . . 5185 1 
      2 2 $v107 . 'chemical synthesis'     .  .        . . . . . . . . . . . . . . . . . . . . . . . . . . . 5185 1 

   stop_

save_


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

save_Sample_1
   _Sample.Sf_category                      sample
   _Sample.Sf_framecode                     Sample_1
   _Sample.Entry_ID                         5185
   _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 'vascular endothelial growth factor' '[U-98% 13C; U-98% 15N]' . . 1 $VEGF . .  2.0  . . mM . . . . 5185 1 
      2 'v107 peptide'                        .                       . . 2 $v107 . .  2.25 . . mM . . . . 5185 1 
      3  H2O                                  .                       . .  .  .    . . 90    . . %  . . . . 5185 1 
      4  D2O                                  .                       . .  .  .    . . 10    . . %  . . . . 5185 1 

   stop_

save_


save_Sample_2
   _Sample.Sf_category                      sample
   _Sample.Sf_framecode                     Sample_2
   _Sample.Entry_ID                         5185
   _Sample.ID                               2
   _Sample.Type                             solution
   _Sample.Sub_type                         .
   _Sample.Details                          .
   _Sample.Aggregate_sample_number          .
   _Sample.Solvent_system                   .
   _Sample.Preparation_date                 .
   _Sample.Preparation_expiration_date      .
   _Sample.Polycrystallization_protocol     .
   _Sample.Single_crystal_protocol          .
   _Sample.Crystal_grow_apparatus           .
   _Sample.Crystal_grow_atmosphere          .
   _Sample.Crystal_grow_details             .
   _Sample.Crystal_grow_method              .
   _Sample.Crystal_grow_method_cit_ID       .
   _Sample.Crystal_grow_pH                  .
   _Sample.Crystal_grow_pH_range            .
   _Sample.Crystal_grow_pressure            .
   _Sample.Crystal_grow_pressure_esd        .
   _Sample.Crystal_grow_seeding             .
   _Sample.Crystal_grow_seeding_cit_ID      .
   _Sample.Crystal_grow_temp                .
   _Sample.Crystal_grow_temp_details        .
   _Sample.Crystal_grow_temp_esd            .
   _Sample.Crystal_grow_time                .
   _Sample.Oriented_sample_prep_protocol    .
   _Sample.Lyophilization_cryo_protectant   .
   _Sample.Storage_protocol                 .

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

      1 'vascular endothelial growth factor' '[U-98% 13C; U-98% 15N]' . . 1 $VEGF . .   2.0  . . mM . . . . 5185 2 
      2 'v107 peptide'                        .                       . . 2 $v107 . .   2.25 . . mM . . . . 5185 2 
      3  D2O                                  .                       . .  .  .    . . 100    . . %  . . . . 5185 2 

   stop_

save_


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

save_Cond_1
   _Sample_condition_list.Sf_category    sample_conditions
   _Sample_condition_list.Sf_framecode   Cond_1
   _Sample_condition_list.Entry_ID       5185
   _Sample_condition_list.ID             1
   _Sample_condition_list.Details        .

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

      pH            7.0 0.1 n/a 5185 1 
      temperature 318   0.2 K   5185 1 

   stop_

save_


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

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

save_NMR_spectrometer_1
   _NMR_spectrometer.Sf_category      NMR_spectrometer
   _NMR_spectrometer.Sf_framecode     NMR_spectrometer_1
   _NMR_spectrometer.Entry_ID         5185
   _NMR_spectrometer.ID               1
   _NMR_spectrometer.Details          .
   _NMR_spectrometer.Manufacturer     Bruker
   _NMR_spectrometer.Model            DRX
   _NMR_spectrometer.Serial_number    .
   _NMR_spectrometer.Field_strength   600

save_


save_NMR_spectrometer_2
   _NMR_spectrometer.Sf_category      NMR_spectrometer
   _NMR_spectrometer.Sf_framecode     NMR_spectrometer_2
   _NMR_spectrometer.Entry_ID         5185
   _NMR_spectrometer.ID               2
   _NMR_spectrometer.Details          .
   _NMR_spectrometer.Manufacturer     Bruker
   _NMR_spectrometer.Model            DRX
   _NMR_spectrometer.Serial_number    .
   _NMR_spectrometer.Field_strength   800

save_


save_spectrometer_list
   _NMR_spectrometer_list.Sf_category    NMR_spectrometer_list
   _NMR_spectrometer_list.Sf_framecode   spectrometer_list
   _NMR_spectrometer_list.Entry_ID       5185
   _NMR_spectrometer_list.ID             1

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

      1 NMR_spectrometer_1 Bruker DRX . 600 . . . 5185 1 
      2 NMR_spectrometer_2 Bruker DRX . 800 . . . 5185 1 

   stop_

save_


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

save_experiment_list
   _Experiment_list.Sf_category    experiment_list
   _Experiment_list.Sf_framecode   experiment_list
   _Experiment_list.Entry_ID       5185
   _Experiment_list.ID             1
   _Experiment_list.Details        .

save_


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

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

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

save_chemical_shift_reference
   _Chem_shift_reference.Sf_category    chem_shift_reference
   _Chem_shift_reference.Sf_framecode   chemical_shift_reference
   _Chem_shift_reference.Entry_ID       5185
   _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

      H  1 DSS 'methyl protons' . . . . ppm 0.0 internal direct   1.0         . . . . . . . . . 5185 1 
      N 15 DSS 'methyl protons' . . . . ppm 0.0 .        indirect 0.101329118 . . . . . . . . . 5185 1 
      C 13 DSS 'methyl protons' . . . . ppm 0.0 .        indirect 0.251449530 . . . . . . . . . 5185 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_shift_set_1
   _Assigned_chem_shift_list.Sf_category                   assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                  shift_set_1
   _Assigned_chem_shift_list.Entry_ID                      5185
   _Assigned_chem_shift_list.ID                            1
   _Assigned_chem_shift_list.Sample_condition_list_ID      1
   _Assigned_chem_shift_list.Sample_condition_list_label  $Cond_1
   _Assigned_chem_shift_list.Chem_shift_reference_ID       1
   _Assigned_chem_shift_list.Chem_shift_reference_label   $chemical_shift_reference
   _Assigned_chem_shift_list.Chem_shift_1H_err             .
   _Assigned_chem_shift_list.Chem_shift_13C_err            .
   _Assigned_chem_shift_list.Chem_shift_15N_err            .
   _Assigned_chem_shift_list.Chem_shift_31P_err            .
   _Assigned_chem_shift_list.Chem_shift_2H_err             .
   _Assigned_chem_shift_list.Chem_shift_19F_err            .
   _Assigned_chem_shift_list.Error_derivation_method       .
   _Assigned_chem_shift_list.Details                       .
   _Assigned_chem_shift_list.Text_data_format              .
   _Assigned_chem_shift_list.Text_data                     .

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

      . . 1 $Sample_1 . 5185 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 HIS HA   H  1   3.96 0.02 . 1 . . . . . . . . 5185 1 
         2 . 1 1  1  1 HIS HB2  H  1   3.05 0.02 . 1 . . . . . . . . 5185 1 
         3 . 1 1  1  1 HIS HB3  H  1   3.05 0.02 . 1 . . . . . . . . 5185 1 
         4 . 1 1  1  1 HIS CA   C 13  56.55 0.20 . 1 . . . . . . . . 5185 1 
         5 . 1 1  1  1 HIS CB   C 13  32.93 0.20 . 1 . . . . . . . . 5185 1 
         6 . 1 1  2  2 HIS HA   H  1   4.67 0.02 . 1 . . . . . . . . 5185 1 
         7 . 1 1  2  2 HIS HB2  H  1   3.14 0.02 . 2 . . . . . . . . 5185 1 
         8 . 1 1  2  2 HIS HB3  H  1   3.07 0.02 . 2 . . . . . . . . 5185 1 
         9 . 1 1  2  2 HIS CA   C 13  56.23 0.20 . 1 . . . . . . . . 5185 1 
        10 . 1 1  2  2 HIS CB   C 13  31.29 0.20 . 1 . . . . . . . . 5185 1 
        11 . 1 1  3  3 GLU HA   H  1   4.34 0.02 . 1 . . . . . . . . 5185 1 
        12 . 1 1  3  3 GLU HB2  H  1   2.03 0.02 . 2 . . . . . . . . 5185 1 
        13 . 1 1  3  3 GLU HB3  H  1   1.95 0.02 . 2 . . . . . . . . 5185 1 
        14 . 1 1  3  3 GLU HG2  H  1   2.25 0.02 . 2 . . . . . . . . 5185 1 
        15 . 1 1  3  3 GLU HG3  H  1   2.21 0.02 . 2 . . . . . . . . 5185 1 
        16 . 1 1  3  3 GLU C    C 13 175.71 0.20 . 1 . . . . . . . . 5185 1 
        17 . 1 1  3  3 GLU CA   C 13  56.55 0.20 . 1 . . . . . . . . 5185 1 
        18 . 1 1  3  3 GLU CB   C 13  30.56 0.20 . 1 . . . . . . . . 5185 1 
        19 . 1 1  3  3 GLU CG   C 13  36.19 0.20 . 1 . . . . . . . . 5185 1 
        20 . 1 1  4  4 VAL H    H  1   7.99 0.02 . 1 . . . . . . . . 5185 1 
        21 . 1 1  4  4 VAL HA   H  1   4.25 0.02 . 1 . . . . . . . . 5185 1 
        22 . 1 1  4  4 VAL HB   H  1   1.84 0.02 . 1 . . . . . . . . 5185 1 
        23 . 1 1  4  4 VAL HG11 H  1   0.72 0.02 . 1 . . . . . . . . 5185 1 
        24 . 1 1  4  4 VAL HG12 H  1   0.72 0.02 . 1 . . . . . . . . 5185 1 
        25 . 1 1  4  4 VAL HG13 H  1   0.72 0.02 . 1 . . . . . . . . 5185 1 
        26 . 1 1  4  4 VAL HG21 H  1   0.81 0.02 . 1 . . . . . . . . 5185 1 
        27 . 1 1  4  4 VAL HG22 H  1   0.81 0.02 . 1 . . . . . . . . 5185 1 
        28 . 1 1  4  4 VAL HG23 H  1   0.81 0.02 . 1 . . . . . . . . 5185 1 
        29 . 1 1  4  4 VAL C    C 13 175.63 0.20 . 1 . . . . . . . . 5185 1 
        30 . 1 1  4  4 VAL CA   C 13  61.43 0.20 . 1 . . . . . . . . 5185 1 
        31 . 1 1  4  4 VAL CB   C 13  33.50 0.20 . 1 . . . . . . . . 5185 1 
        32 . 1 1  4  4 VAL CG1  C 13  20.80 0.20 . 1 . . . . . . . . 5185 1 
        33 . 1 1  4  4 VAL CG2  C 13  21.64 0.20 . 1 . . . . . . . . 5185 1 
        34 . 1 1  4  4 VAL N    N 15 122.83 0.10 . 1 . . . . . . . . 5185 1 
        35 . 1 1  5  5 VAL H    H  1   8.47 0.02 . 1 . . . . . . . . 5185 1 
        36 . 1 1  5  5 VAL HA   H  1   4.09 0.02 . 1 . . . . . . . . 5185 1 
        37 . 1 1  5  5 VAL HB   H  1   2.02 0.02 . 1 . . . . . . . . 5185 1 
        38 . 1 1  5  5 VAL HG11 H  1   1.11 0.02 . 1 . . . . . . . . 5185 1 
        39 . 1 1  5  5 VAL HG12 H  1   1.11 0.02 . 1 . . . . . . . . 5185 1 
        40 . 1 1  5  5 VAL HG13 H  1   1.11 0.02 . 1 . . . . . . . . 5185 1 
        41 . 1 1  5  5 VAL HG21 H  1   1.08 0.02 . 1 . . . . . . . . 5185 1 
        42 . 1 1  5  5 VAL HG22 H  1   1.08 0.02 . 1 . . . . . . . . 5185 1 
        43 . 1 1  5  5 VAL HG23 H  1   1.08 0.02 . 1 . . . . . . . . 5185 1 
        44 . 1 1  5  5 VAL C    C 13 175.82 0.20 . 1 . . . . . . . . 5185 1 
        45 . 1 1  5  5 VAL CA   C 13  62.72 0.20 . 1 . . . . . . . . 5185 1 
        46 . 1 1  5  5 VAL CB   C 13  31.79 0.20 . 1 . . . . . . . . 5185 1 
        47 . 1 1  5  5 VAL CG1  C 13  22.53 0.20 . 1 . . . . . . . . 5185 1 
        48 . 1 1  5  5 VAL CG2  C 13  20.95 0.20 . 1 . . . . . . . . 5185 1 
        49 . 1 1  5  5 VAL N    N 15 128.25 0.10 . 1 . . . . . . . . 5185 1 
        50 . 1 1  6  6 LYS H    H  1   8.79 0.02 . 1 . . . . . . . . 5185 1 
        51 . 1 1  6  6 LYS HA   H  1   4.08 0.02 . 1 . . . . . . . . 5185 1 
        52 . 1 1  6  6 LYS HB2  H  1   1.98 0.02 . 1 . . . . . . . . 5185 1 
        53 . 1 1  6  6 LYS HB3  H  1   1.98 0.02 . 1 . . . . . . . . 5185 1 
        54 . 1 1  6  6 LYS HG2  H  1   1.63 0.02 . 2 . . . . . . . . 5185 1 
        55 . 1 1  6  6 LYS HG3  H  1   1.53 0.02 . 2 . . . . . . . . 5185 1 
        56 . 1 1  6  6 LYS HD2  H  1   1.65 0.02 . 1 . . . . . . . . 5185 1 
        57 . 1 1  6  6 LYS HD3  H  1   1.65 0.02 . 1 . . . . . . . . 5185 1 
        58 . 1 1  6  6 LYS HE2  H  1   3.05 0.02 . 1 . . . . . . . . 5185 1 
        59 . 1 1  6  6 LYS HE3  H  1   3.05 0.02 . 1 . . . . . . . . 5185 1 
        60 . 1 1  6  6 LYS C    C 13 177.98 0.20 . 1 . . . . . . . . 5185 1 
        61 . 1 1  6  6 LYS CA   C 13  56.63 0.20 . 1 . . . . . . . . 5185 1 
        62 . 1 1  6  6 LYS CB   C 13  32.75 0.20 . 1 . . . . . . . . 5185 1 
        63 . 1 1  6  6 LYS CG   C 13  25.36 0.20 . 1 . . . . . . . . 5185 1 
        64 . 1 1  6  6 LYS CD   C 13  29.16 0.20 . 1 . . . . . . . . 5185 1 
        65 . 1 1  6  6 LYS CE   C 13  41.92 0.20 . 1 . . . . . . . . 5185 1 
        66 . 1 1  6  6 LYS N    N 15 127.22 0.10 . 1 . . . . . . . . 5185 1 
        67 . 1 1  7  7 PHE H    H  1   8.69 0.02 . 1 . . . . . . . . 5185 1 
        68 . 1 1  7  7 PHE HA   H  1   4.42 0.02 . 1 . . . . . . . . 5185 1 
        69 . 1 1  7  7 PHE HB2  H  1   3.11 0.02 . 1 . . . . . . . . 5185 1 
        70 . 1 1  7  7 PHE HB3  H  1   2.73 0.02 . 1 . . . . . . . . 5185 1 
        71 . 1 1  7  7 PHE HD1  H  1   7.04 0.02 . 1 . . . . . . . . 5185 1 
        72 . 1 1  7  7 PHE HD2  H  1   7.04 0.02 . 1 . . . . . . . . 5185 1 
        73 . 1 1  7  7 PHE HE1  H  1   6.86 0.02 . 1 . . . . . . . . 5185 1 
        74 . 1 1  7  7 PHE HE2  H  1   6.86 0.02 . 1 . . . . . . . . 5185 1 
        75 . 1 1  7  7 PHE HZ   H  1   6.19 0.02 . 1 . . . . . . . . 5185 1 
        76 . 1 1  7  7 PHE C    C 13 176.10 0.20 . 1 . . . . . . . . 5185 1 
        77 . 1 1  7  7 PHE CA   C 13  61.77 0.20 . 1 . . . . . . . . 5185 1 
        78 . 1 1  7  7 PHE CB   C 13  39.86 0.20 . 1 . . . . . . . . 5185 1 
        79 . 1 1  7  7 PHE CD1  C 13 131.06 0.20 . 1 . . . . . . . . 5185 1 
        80 . 1 1  7  7 PHE CD2  C 13 131.06 0.20 . 1 . . . . . . . . 5185 1 
        81 . 1 1  7  7 PHE CE1  C 13 131.26 0.20 . 1 . . . . . . . . 5185 1 
        82 . 1 1  7  7 PHE CE2  C 13 131.26 0.20 . 1 . . . . . . . . 5185 1 
        83 . 1 1  7  7 PHE CZ   C 13 128.84 0.20 . 1 . . . . . . . . 5185 1 
        84 . 1 1  7  7 PHE N    N 15 122.11 0.10 . 1 . . . . . . . . 5185 1 
        85 . 1 1  8  8 MET H    H  1   8.91 0.02 . 1 . . . . . . . . 5185 1 
        86 . 1 1  8  8 MET HA   H  1   4.34 0.02 . 1 . . . . . . . . 5185 1 
        87 . 1 1  8  8 MET HB2  H  1   2.06 0.02 . 1 . . . . . . . . 5185 1 
        88 . 1 1  8  8 MET HB3  H  1   2.06 0.02 . 1 . . . . . . . . 5185 1 
        89 . 1 1  8  8 MET HG2  H  1   2.30 0.02 . 1 . . . . . . . . 5185 1 
        90 . 1 1  8  8 MET HG3  H  1   2.30 0.02 . 1 . . . . . . . . 5185 1 
        91 . 1 1  8  8 MET HE1  H  1   2.50 0.02 . 1 . . . . . . . . 5185 1 
        92 . 1 1  8  8 MET HE2  H  1   2.50 0.02 . 1 . . . . . . . . 5185 1 
        93 . 1 1  8  8 MET HE3  H  1   2.50 0.02 . 1 . . . . . . . . 5185 1 
        94 . 1 1  8  8 MET C    C 13 179.33 0.20 . 1 . . . . . . . . 5185 1 
        95 . 1 1  8  8 MET CA   C 13  56.94 0.20 . 1 . . . . . . . . 5185 1 
        96 . 1 1  8  8 MET CB   C 13  29.44 0.20 . 1 . . . . . . . . 5185 1 
        97 . 1 1  8  8 MET CG   C 13  33.75 0.20 . 1 . . . . . . . . 5185 1 
        98 . 1 1  8  8 MET CE   C 13  15.59 0.20 . 1 . . . . . . . . 5185 1 
        99 . 1 1  8  8 MET N    N 15 114.31 0.10 . 1 . . . . . . . . 5185 1 
       100 . 1 1  9  9 ASP H    H  1   7.24 0.02 . 1 . . . . . . . . 5185 1 
       101 . 1 1  9  9 ASP HA   H  1   4.55 0.02 . 1 . . . . . . . . 5185 1 
       102 . 1 1  9  9 ASP HB2  H  1   2.90 0.02 . 2 . . . . . . . . 5185 1 
       103 . 1 1  9  9 ASP HB3  H  1   2.67 0.02 . 2 . . . . . . . . 5185 1 
       104 . 1 1  9  9 ASP C    C 13 177.76 0.20 . 1 . . . . . . . . 5185 1 
       105 . 1 1  9  9 ASP CA   C 13  57.18 0.20 . 1 . . . . . . . . 5185 1 
       106 . 1 1  9  9 ASP CB   C 13  40.64 0.20 . 1 . . . . . . . . 5185 1 
       107 . 1 1  9  9 ASP N    N 15 118.89 0.10 . 1 . . . . . . . . 5185 1 
       108 . 1 1 10 10 VAL H    H  1   7.81 0.02 . 1 . . . . . . . . 5185 1 
       109 . 1 1 10 10 VAL HA   H  1   3.38 0.02 . 1 . . . . . . . . 5185 1 
       110 . 1 1 10 10 VAL HB   H  1   2.24 0.02 . 1 . . . . . . . . 5185 1 
       111 . 1 1 10 10 VAL HG11 H  1   1.06 0.02 . 1 . . . . . . . . 5185 1 
       112 . 1 1 10 10 VAL HG12 H  1   1.06 0.02 . 1 . . . . . . . . 5185 1 
       113 . 1 1 10 10 VAL HG13 H  1   1.06 0.02 . 1 . . . . . . . . 5185 1 
       114 . 1 1 10 10 VAL HG21 H  1   1.12 0.02 . 1 . . . . . . . . 5185 1 
       115 . 1 1 10 10 VAL HG22 H  1   1.12 0.02 . 1 . . . . . . . . 5185 1 
       116 . 1 1 10 10 VAL HG23 H  1   1.12 0.02 . 1 . . . . . . . . 5185 1 
       117 . 1 1 10 10 VAL C    C 13 177.96 0.20 . 1 . . . . . . . . 5185 1 
       118 . 1 1 10 10 VAL CA   C 13  66.63 0.20 . 1 . . . . . . . . 5185 1 
       119 . 1 1 10 10 VAL CB   C 13  31.86 0.20 . 1 . . . . . . . . 5185 1 
       120 . 1 1 10 10 VAL CG1  C 13  22.46 0.20 . 1 . . . . . . . . 5185 1 
       121 . 1 1 10 10 VAL CG2  C 13  23.62 0.20 . 1 . . . . . . . . 5185 1 
       122 . 1 1 10 10 VAL N    N 15 119.77 0.10 . 1 . . . . . . . . 5185 1 
       123 . 1 1 11 11 TYR H    H  1   8.55 0.02 . 1 . . . . . . . . 5185 1 
       124 . 1 1 11 11 TYR HA   H  1   4.01 0.02 . 1 . . . . . . . . 5185 1 
       125 . 1 1 11 11 TYR HB2  H  1   2.68 0.02 . 1 . . . . . . . . 5185 1 
       126 . 1 1 11 11 TYR HB3  H  1   2.40 0.02 . 1 . . . . . . . . 5185 1 
       127 . 1 1 11 11 TYR HD1  H  1   7.09 0.02 . 1 . . . . . . . . 5185 1 
       128 . 1 1 11 11 TYR HD2  H  1   7.09 0.02 . 1 . . . . . . . . 5185 1 
       129 . 1 1 11 11 TYR HE1  H  1   7.45 0.02 . 1 . . . . . . . . 5185 1 
       130 . 1 1 11 11 TYR HE2  H  1   7.45 0.02 . 1 . . . . . . . . 5185 1 
       131 . 1 1 11 11 TYR C    C 13 177.59 0.20 . 1 . . . . . . . . 5185 1 
       132 . 1 1 11 11 TYR CA   C 13  61.06 0.20 . 1 . . . . . . . . 5185 1 
       133 . 1 1 11 11 TYR CB   C 13  38.44 0.20 . 1 . . . . . . . . 5185 1 
       134 . 1 1 11 11 TYR CD1  C 13 132.56 0.20 . 1 . . . . . . . . 5185 1 
       135 . 1 1 11 11 TYR CD2  C 13 132.56 0.20 . 1 . . . . . . . . 5185 1 
       136 . 1 1 11 11 TYR CE1  C 13 118.34 0.20 . 1 . . . . . . . . 5185 1 
       137 . 1 1 11 11 TYR CE2  C 13 118.34 0.20 . 1 . . . . . . . . 5185 1 
       138 . 1 1 11 11 TYR N    N 15 118.68 0.10 . 1 . . . . . . . . 5185 1 
       139 . 1 1 12 12 GLN H    H  1   8.26 0.02 . 1 . . . . . . . . 5185 1 
       140 . 1 1 12 12 GLN HA   H  1   3.82 0.02 . 1 . . . . . . . . 5185 1 
       141 . 1 1 12 12 GLN HB2  H  1   2.03 0.02 . 1 . . . . . . . . 5185 1 
       142 . 1 1 12 12 GLN HB3  H  1   2.29 0.02 . 1 . . . . . . . . 5185 1 
       143 . 1 1 12 12 GLN HG2  H  1   3.02 0.02 . 2 . . . . . . . . 5185 1 
       144 . 1 1 12 12 GLN HG3  H  1   2.52 0.02 . 2 . . . . . . . . 5185 1 
       145 . 1 1 12 12 GLN HE21 H  1   7.32 0.02 . 1 . . . . . . . . 5185 1 
       146 . 1 1 12 12 GLN HE22 H  1   6.81 0.02 . 1 . . . . . . . . 5185 1 
       147 . 1 1 12 12 GLN C    C 13 178.29 0.20 . 1 . . . . . . . . 5185 1 
       148 . 1 1 12 12 GLN CA   C 13  59.23 0.20 . 1 . . . . . . . . 5185 1 
       149 . 1 1 12 12 GLN CB   C 13  28.17 0.20 . 1 . . . . . . . . 5185 1 
       150 . 1 1 12 12 GLN CG   C 13  35.27 0.20 . 1 . . . . . . . . 5185 1 
       151 . 1 1 12 12 GLN N    N 15 115.68 0.10 . 1 . . . . . . . . 5185 1 
       152 . 1 1 12 12 GLN NE2  N 15 110.21 0.10 . 1 . . . . . . . . 5185 1 
       153 . 1 1 13 13 ARG H    H  1   7.76 0.02 . 1 . . . . . . . . 5185 1 
       154 . 1 1 13 13 ARG HA   H  1   4.03 0.02 . 1 . . . . . . . . 5185 1 
       155 . 1 1 13 13 ARG HB2  H  1   1.84 0.02 . 1 . . . . . . . . 5185 1 
       156 . 1 1 13 13 ARG HB3  H  1   1.84 0.02 . 1 . . . . . . . . 5185 1 
       157 . 1 1 13 13 ARG HG2  H  1   1.98 0.02 . 2 . . . . . . . . 5185 1 
       158 . 1 1 13 13 ARG HG3  H  1   1.66 0.02 . 2 . . . . . . . . 5185 1 
       159 . 1 1 13 13 ARG HD2  H  1   3.24 0.02 . 2 . . . . . . . . 5185 1 
       160 . 1 1 13 13 ARG HD3  H  1   3.03 0.02 . 2 . . . . . . . . 5185 1 
       161 . 1 1 13 13 ARG C    C 13 177.25 0.20 . 1 . . . . . . . . 5185 1 
       162 . 1 1 13 13 ARG CA   C 13  57.91 0.20 . 1 . . . . . . . . 5185 1 
       163 . 1 1 13 13 ARG CB   C 13  31.34 0.20 . 1 . . . . . . . . 5185 1 
       164 . 1 1 13 13 ARG CG   C 13  27.85 0.20 . 1 . . . . . . . . 5185 1 
       165 . 1 1 13 13 ARG CD   C 13  43.64 0.20 . 1 . . . . . . . . 5185 1 
       166 . 1 1 13 13 ARG N    N 15 116.13 0.10 . 1 . . . . . . . . 5185 1 
       167 . 1 1 14 14 SER H    H  1   7.83 0.02 . 1 . . . . . . . . 5185 1 
       168 . 1 1 14 14 SER HA   H  1   4.36 0.02 . 1 . . . . . . . . 5185 1 
       169 . 1 1 14 14 SER HB2  H  1   3.57 0.02 . 1 . . . . . . . . 5185 1 
       170 . 1 1 14 14 SER HB3  H  1   3.57 0.02 . 1 . . . . . . . . 5185 1 
       171 . 1 1 14 14 SER C    C 13 172.57 0.20 . 1 . . . . . . . . 5185 1 
       172 . 1 1 14 14 SER CA   C 13  58.54 0.20 . 1 . . . . . . . . 5185 1 
       173 . 1 1 14 14 SER CB   C 13  64.63 0.20 . 1 . . . . . . . . 5185 1 
       174 . 1 1 14 14 SER N    N 15 112.74 0.10 . 1 . . . . . . . . 5185 1 
       175 . 1 1 15 15 TYR H    H  1   6.86 0.02 . 1 . . . . . . . . 5185 1 
       176 . 1 1 15 15 TYR HA   H  1   4.19 0.02 . 1 . . . . . . . . 5185 1 
       177 . 1 1 15 15 TYR HB2  H  1   2.70 0.02 . 1 . . . . . . . . 5185 1 
       178 . 1 1 15 15 TYR HB3  H  1   2.56 0.02 . 1 . . . . . . . . 5185 1 
       179 . 1 1 15 15 TYR HD1  H  1   7.03 0.02 . 1 . . . . . . . . 5185 1 
       180 . 1 1 15 15 TYR HD2  H  1   7.03 0.02 . 1 . . . . . . . . 5185 1 
       181 . 1 1 15 15 TYR HE1  H  1   6.68 0.02 . 1 . . . . . . . . 5185 1 
       182 . 1 1 15 15 TYR HE2  H  1   6.68 0.02 . 1 . . . . . . . . 5185 1 
       183 . 1 1 15 15 TYR C    C 13 175.23 0.20 . 1 . . . . . . . . 5185 1 
       184 . 1 1 15 15 TYR CA   C 13  59.66 0.20 . 1 . . . . . . . . 5185 1 
       185 . 1 1 15 15 TYR CB   C 13  38.47 0.20 . 1 . . . . . . . . 5185 1 
       186 . 1 1 15 15 TYR CD1  C 13 134.33 0.20 . 1 . . . . . . . . 5185 1 
       187 . 1 1 15 15 TYR CD2  C 13 134.33 0.20 . 1 . . . . . . . . 5185 1 
       188 . 1 1 15 15 TYR CE1  C 13 116.59 0.20 . 1 . . . . . . . . 5185 1 
       189 . 1 1 15 15 TYR CE2  C 13 116.59 0.20 . 1 . . . . . . . . 5185 1 
       190 . 1 1 15 15 TYR N    N 15 123.40 0.10 . 1 . . . . . . . . 5185 1 
       191 . 1 1 16 16 CYS H    H  1   7.13 0.02 . 1 . . . . . . . . 5185 1 
       192 . 1 1 16 16 CYS HA   H  1   4.70 0.02 . 1 . . . . . . . . 5185 1 
       193 . 1 1 16 16 CYS HB2  H  1   2.10 0.02 . 1 . . . . . . . . 5185 1 
       194 . 1 1 16 16 CYS HB3  H  1   2.10 0.02 . 1 . . . . . . . . 5185 1 
       195 . 1 1 16 16 CYS C    C 13 171.53 0.20 . 1 . . . . . . . . 5185 1 
       196 . 1 1 16 16 CYS CA   C 13  55.68 0.20 . 1 . . . . . . . . 5185 1 
       197 . 1 1 16 16 CYS CB   C 13  37.71 0.20 . 1 . . . . . . . . 5185 1 
       198 . 1 1 16 16 CYS N    N 15 127.35 0.10 . 1 . . . . . . . . 5185 1 
       199 . 1 1 17 17 HIS H    H  1   9.20 0.02 . 1 . . . . . . . . 5185 1 
       200 . 1 1 17 17 HIS HA   H  1   4.84 0.02 . 1 . . . . . . . . 5185 1 
       201 . 1 1 17 17 HIS HB2  H  1   3.67 0.02 . 2 . . . . . . . . 5185 1 
       202 . 1 1 17 17 HIS HB3  H  1   3.36 0.02 . 2 . . . . . . . . 5185 1 
       203 . 1 1 17 17 HIS C    C 13 170.46 0.20 . 1 . . . . . . . . 5185 1 
       204 . 1 1 17 17 HIS CA   C 13  55.73 0.20 . 1 . . . . . . . . 5185 1 
       205 . 1 1 17 17 HIS CB   C 13  26.36 0.20 . 1 . . . . . . . . 5185 1 
       206 . 1 1 17 17 HIS N    N 15 124.72 0.10 . 1 . . . . . . . . 5185 1 
       207 . 1 1 18 18 PRO HA   H  1   4.31 0.02 . 1 . . . . . . . . 5185 1 
       208 . 1 1 18 18 PRO HB2  H  1   1.90 0.02 . 1 . . . . . . . . 5185 1 
       209 . 1 1 18 18 PRO HB3  H  1   1.90 0.02 . 1 . . . . . . . . 5185 1 
       210 . 1 1 18 18 PRO HG2  H  1   1.99 0.02 . 2 . . . . . . . . 5185 1 
       211 . 1 1 18 18 PRO HG3  H  1   1.91 0.02 . 2 . . . . . . . . 5185 1 
       212 . 1 1 18 18 PRO HD2  H  1   3.58 0.02 . 2 . . . . . . . . 5185 1 
       213 . 1 1 18 18 PRO HD3  H  1   3.24 0.02 . 2 . . . . . . . . 5185 1 
       214 . 1 1 18 18 PRO C    C 13 175.22 0.20 . 1 . . . . . . . . 5185 1 
       215 . 1 1 18 18 PRO CA   C 13  64.59 0.20 . 1 . . . . . . . . 5185 1 
       216 . 1 1 18 18 PRO CB   C 13  31.78 0.20 . 1 . . . . . . . . 5185 1 
       217 . 1 1 18 18 PRO CG   C 13  26.86 0.20 . 1 . . . . . . . . 5185 1 
       218 . 1 1 18 18 PRO CD   C 13  50.16 0.20 . 1 . . . . . . . . 5185 1 
       219 . 1 1 19 19 ILE H    H  1   8.99 0.02 . 1 . . . . . . . . 5185 1 
       220 . 1 1 19 19 ILE HA   H  1   4.55 0.02 . 1 . . . . . . . . 5185 1 
       221 . 1 1 19 19 ILE HB   H  1   1.39 0.02 . 1 . . . . . . . . 5185 1 
       222 . 1 1 19 19 ILE HG12 H  1   1.45 0.02 . 2 . . . . . . . . 5185 1 
       223 . 1 1 19 19 ILE HG13 H  1   1.08 0.02 . 2 . . . . . . . . 5185 1 
       224 . 1 1 19 19 ILE HG21 H  1   0.62 0.02 . 1 . . . . . . . . 5185 1 
       225 . 1 1 19 19 ILE HG22 H  1   0.62 0.02 . 1 . . . . . . . . 5185 1 
       226 . 1 1 19 19 ILE HG23 H  1   0.62 0.02 . 1 . . . . . . . . 5185 1 
       227 . 1 1 19 19 ILE HD11 H  1   0.69 0.02 . 1 . . . . . . . . 5185 1 
       228 . 1 1 19 19 ILE HD12 H  1   0.69 0.02 . 1 . . . . . . . . 5185 1 
       229 . 1 1 19 19 ILE HD13 H  1   0.69 0.02 . 1 . . . . . . . . 5185 1 
       230 . 1 1 19 19 ILE C    C 13 175.10 0.20 . 1 . . . . . . . . 5185 1 
       231 . 1 1 19 19 ILE CA   C 13  59.10 0.20 . 1 . . . . . . . . 5185 1 
       232 . 1 1 19 19 ILE CB   C 13  42.60 0.20 . 1 . . . . . . . . 5185 1 
       233 . 1 1 19 19 ILE CG1  C 13  27.45 0.20 . 1 . . . . . . . . 5185 1 
       234 . 1 1 19 19 ILE CG2  C 13  16.16 0.20 . 1 . . . . . . . . 5185 1 
       235 . 1 1 19 19 ILE CD1  C 13  14.24 0.20 . 1 . . . . . . . . 5185 1 
       236 . 1 1 19 19 ILE N    N 15 124.03 0.10 . 1 . . . . . . . . 5185 1 
       237 . 1 1 20 20 GLU H    H  1   8.60 0.02 . 1 . . . . . . . . 5185 1 
       238 . 1 1 20 20 GLU HA   H  1   4.20 0.02 . 1 . . . . . . . . 5185 1 
       239 . 1 1 20 20 GLU HB2  H  1   1.96 0.02 . 1 . . . . . . . . 5185 1 
       240 . 1 1 20 20 GLU HB3  H  1   1.96 0.02 . 1 . . . . . . . . 5185 1 
       241 . 1 1 20 20 GLU HG2  H  1   2.00 0.02 . 1 . . . . . . . . 5185 1 
       242 . 1 1 20 20 GLU HG3  H  1   2.00 0.02 . 1 . . . . . . . . 5185 1 
       243 . 1 1 20 20 GLU C    C 13 175.18 0.20 . 1 . . . . . . . . 5185 1 
       244 . 1 1 20 20 GLU CA   C 13  58.99 0.20 . 1 . . . . . . . . 5185 1 
       245 . 1 1 20 20 GLU CB   C 13  29.48 0.20 . 1 . . . . . . . . 5185 1 
       246 . 1 1 20 20 GLU CG   C 13  36.80 0.20 . 1 . . . . . . . . 5185 1 
       247 . 1 1 20 20 GLU N    N 15 129.77 0.10 . 1 . . . . . . . . 5185 1 
       248 . 1 1 21 21 THR H    H  1   9.38 0.02 . 1 . . . . . . . . 5185 1 
       249 . 1 1 21 21 THR HA   H  1   4.29 0.02 . 1 . . . . . . . . 5185 1 
       250 . 1 1 21 21 THR HB   H  1   3.86 0.02 . 1 . . . . . . . . 5185 1 
       251 . 1 1 21 21 THR HG21 H  1   1.09 0.02 . 1 . . . . . . . . 5185 1 
       252 . 1 1 21 21 THR HG22 H  1   1.09 0.02 . 1 . . . . . . . . 5185 1 
       253 . 1 1 21 21 THR HG23 H  1   1.09 0.02 . 1 . . . . . . . . 5185 1 
       254 . 1 1 21 21 THR C    C 13 171.62 0.20 . 1 . . . . . . . . 5185 1 
       255 . 1 1 21 21 THR CA   C 13  61.47 0.20 . 1 . . . . . . . . 5185 1 
       256 . 1 1 21 21 THR CB   C 13  71.19 0.20 . 1 . . . . . . . . 5185 1 
       257 . 1 1 21 21 THR CG2  C 13  19.99 0.20 . 1 . . . . . . . . 5185 1 
       258 . 1 1 21 21 THR N    N 15 127.14 0.10 . 1 . . . . . . . . 5185 1 
       259 . 1 1 22 22 LEU H    H  1   8.57 0.02 . 1 . . . . . . . . 5185 1 
       260 . 1 1 22 22 LEU HA   H  1   4.89 0.02 . 1 . . . . . . . . 5185 1 
       261 . 1 1 22 22 LEU HB2  H  1   1.76 0.02 . 2 . . . . . . . . 5185 1 
       262 . 1 1 22 22 LEU HB3  H  1   0.97 0.02 . 2 . . . . . . . . 5185 1 
       263 . 1 1 22 22 LEU HG   H  1   1.62 0.02 . 1 . . . . . . . . 5185 1 
       264 . 1 1 22 22 LEU HD11 H  1   0.74 0.02 . 1 . . . . . . . . 5185 1 
       265 . 1 1 22 22 LEU HD12 H  1   0.74 0.02 . 1 . . . . . . . . 5185 1 
       266 . 1 1 22 22 LEU HD13 H  1   0.74 0.02 . 1 . . . . . . . . 5185 1 
       267 . 1 1 22 22 LEU HD21 H  1   0.73 0.02 . 1 . . . . . . . . 5185 1 
       268 . 1 1 22 22 LEU HD22 H  1   0.73 0.02 . 1 . . . . . . . . 5185 1 
       269 . 1 1 22 22 LEU HD23 H  1   0.73 0.02 . 1 . . . . . . . . 5185 1 
       270 . 1 1 22 22 LEU C    C 13 176.17 0.20 . 1 . . . . . . . . 5185 1 
       271 . 1 1 22 22 LEU CA   C 13  53.02 0.20 . 1 . . . . . . . . 5185 1 
       272 . 1 1 22 22 LEU CB   C 13  39.59 0.20 . 1 . . . . . . . . 5185 1 
       273 . 1 1 22 22 LEU CG   C 13  27.35 0.20 . 1 . . . . . . . . 5185 1 
       274 . 1 1 22 22 LEU CD1  C 13  24.75 0.20 . 1 . . . . . . . . 5185 1 
       275 . 1 1 22 22 LEU CD2  C 13  23.85 0.20 . 1 . . . . . . . . 5185 1 
       276 . 1 1 22 22 LEU N    N 15 128.46 0.10 . 1 . . . . . . . . 5185 1 
       277 . 1 1 23 23 VAL H    H  1   8.67 0.02 . 1 . . . . . . . . 5185 1 
       278 . 1 1 23 23 VAL HA   H  1   4.13 0.02 . 1 . . . . . . . . 5185 1 
       279 . 1 1 23 23 VAL HB   H  1   1.74 0.02 . 1 . . . . . . . . 5185 1 
       280 . 1 1 23 23 VAL HG11 H  1   0.86 0.02 . 1 . . . . . . . . 5185 1 
       281 . 1 1 23 23 VAL HG12 H  1   0.86 0.02 . 1 . . . . . . . . 5185 1 
       282 . 1 1 23 23 VAL HG13 H  1   0.86 0.02 . 1 . . . . . . . . 5185 1 
       283 . 1 1 23 23 VAL HG21 H  1   0.75 0.02 . 1 . . . . . . . . 5185 1 
       284 . 1 1 23 23 VAL HG22 H  1   0.75 0.02 . 1 . . . . . . . . 5185 1 
       285 . 1 1 23 23 VAL HG23 H  1   0.75 0.02 . 1 . . . . . . . . 5185 1 
       286 . 1 1 23 23 VAL C    C 13 175.42 0.20 . 1 . . . . . . . . 5185 1 
       287 . 1 1 23 23 VAL CA   C 13  61.07 0.20 . 1 . . . . . . . . 5185 1 
       288 . 1 1 23 23 VAL CB   C 13  34.68 0.20 . 1 . . . . . . . . 5185 1 
       289 . 1 1 23 23 VAL CG1  C 13  21.69 0.20 . 1 . . . . . . . . 5185 1 
       290 . 1 1 23 23 VAL CG2  C 13  21.60 0.20 . 1 . . . . . . . . 5185 1 
       291 . 1 1 23 23 VAL N    N 15 125.51 0.10 . 1 . . . . . . . . 5185 1 
       292 . 1 1 24 24 ASP H    H  1   8.54 0.02 . 1 . . . . . . . . 5185 1 
       293 . 1 1 24 24 ASP HA   H  1   4.71 0.02 . 1 . . . . . . . . 5185 1 
       294 . 1 1 24 24 ASP HB2  H  1   2.78 0.02 . 1 . . . . . . . . 5185 1 
       295 . 1 1 24 24 ASP HB3  H  1   2.65 0.02 . 1 . . . . . . . . 5185 1 
       296 . 1 1 24 24 ASP C    C 13 177.58 0.20 . 1 . . . . . . . . 5185 1 
       297 . 1 1 24 24 ASP CA   C 13  54.64 0.20 . 1 . . . . . . . . 5185 1 
       298 . 1 1 24 24 ASP CB   C 13  41.99 0.20 . 1 . . . . . . . . 5185 1 
       299 . 1 1 24 24 ASP N    N 15 127.07 0.10 . 1 . . . . . . . . 5185 1 
       300 . 1 1 25 25 ILE H    H  1   8.62 0.02 . 1 . . . . . . . . 5185 1 
       301 . 1 1 25 25 ILE HA   H  1   3.50 0.02 . 1 . . . . . . . . 5185 1 
       302 . 1 1 25 25 ILE HB   H  1   1.43 0.02 . 1 . . . . . . . . 5185 1 
       303 . 1 1 25 25 ILE HG12 H  1   1.40 0.02 . 2 . . . . . . . . 5185 1 
       304 . 1 1 25 25 ILE HG13 H  1   0.81 0.02 . 2 . . . . . . . . 5185 1 
       305 . 1 1 25 25 ILE HG21 H  1   0.29 0.02 . 1 . . . . . . . . 5185 1 
       306 . 1 1 25 25 ILE HG22 H  1   0.29 0.02 . 1 . . . . . . . . 5185 1 
       307 . 1 1 25 25 ILE HG23 H  1   0.29 0.02 . 1 . . . . . . . . 5185 1 
       308 . 1 1 25 25 ILE HD11 H  1   0.70 0.02 . 1 . . . . . . . . 5185 1 
       309 . 1 1 25 25 ILE HD12 H  1   0.70 0.02 . 1 . . . . . . . . 5185 1 
       310 . 1 1 25 25 ILE HD13 H  1   0.70 0.02 . 1 . . . . . . . . 5185 1 
       311 . 1 1 25 25 ILE C    C 13 177.94 0.20 . 1 . . . . . . . . 5185 1 
       312 . 1 1 25 25 ILE CA   C 13  66.67 0.20 . 1 . . . . . . . . 5185 1 
       313 . 1 1 25 25 ILE CB   C 13  37.76 0.20 . 1 . . . . . . . . 5185 1 
       314 . 1 1 25 25 ILE CG1  C 13  30.52 0.20 . 1 . . . . . . . . 5185 1 
       315 . 1 1 25 25 ILE CG2  C 13  17.04 0.20 . 1 . . . . . . . . 5185 1 
       316 . 1 1 25 25 ILE CD1  C 13  14.39 0.20 . 1 . . . . . . . . 5185 1 
       317 . 1 1 25 25 ILE N    N 15 127.39 0.10 . 1 . . . . . . . . 5185 1 
       318 . 1 1 26 26 PHE H    H  1   8.52 0.02 . 1 . . . . . . . . 5185 1 
       319 . 1 1 26 26 PHE HA   H  1   4.52 0.02 . 1 . . . . . . . . 5185 1 
       320 . 1 1 26 26 PHE HB2  H  1   3.31 0.02 . 1 . . . . . . . . 5185 1 
       321 . 1 1 26 26 PHE HB3  H  1   3.31 0.02 . 1 . . . . . . . . 5185 1 
       322 . 1 1 26 26 PHE HD1  H  1   7.63 0.02 . 1 . . . . . . . . 5185 1 
       323 . 1 1 26 26 PHE HD2  H  1   7.63 0.02 . 1 . . . . . . . . 5185 1 
       324 . 1 1 26 26 PHE HE1  H  1   7.58 0.02 . 1 . . . . . . . . 5185 1 
       325 . 1 1 26 26 PHE HE2  H  1   7.58 0.02 . 1 . . . . . . . . 5185 1 
       326 . 1 1 26 26 PHE HZ   H  1   7.67 0.02 . 1 . . . . . . . . 5185 1 
       327 . 1 1 26 26 PHE C    C 13 177.16 0.20 . 1 . . . . . . . . 5185 1 
       328 . 1 1 26 26 PHE CA   C 13  59.41 0.20 . 1 . . . . . . . . 5185 1 
       329 . 1 1 26 26 PHE CB   C 13  38.09 0.20 . 1 . . . . . . . . 5185 1 
       330 . 1 1 26 26 PHE CD1  C 13 131.69 0.20 . 1 . . . . . . . . 5185 1 
       331 . 1 1 26 26 PHE CD2  C 13 131.69 0.20 . 1 . . . . . . . . 5185 1 
       332 . 1 1 26 26 PHE CE1  C 13 131.47 0.20 . 1 . . . . . . . . 5185 1 
       333 . 1 1 26 26 PHE CE2  C 13 131.47 0.20 . 1 . . . . . . . . 5185 1 
       334 . 1 1 26 26 PHE CZ   C 13 130.38 0.20 . 1 . . . . . . . . 5185 1 
       335 . 1 1 26 26 PHE N    N 15 117.21 0.10 . 1 . . . . . . . . 5185 1 
       336 . 1 1 27 27 GLN H    H  1   7.56 0.02 . 1 . . . . . . . . 5185 1 
       337 . 1 1 27 27 GLN HA   H  1   4.18 0.02 . 1 . . . . . . . . 5185 1 
       338 . 1 1 27 27 GLN HB2  H  1   2.30 0.02 . 1 . . . . . . . . 5185 1 
       339 . 1 1 27 27 GLN HB3  H  1   2.30 0.02 . 1 . . . . . . . . 5185 1 
       340 . 1 1 27 27 GLN HG2  H  1   2.48 0.02 . 1 . . . . . . . . 5185 1 
       341 . 1 1 27 27 GLN HG3  H  1   2.48 0.02 . 1 . . . . . . . . 5185 1 
       342 . 1 1 27 27 GLN HE21 H  1   7.68 0.02 . 1 . . . . . . . . 5185 1 
       343 . 1 1 27 27 GLN HE22 H  1   6.84 0.02 . 1 . . . . . . . . 5185 1 
       344 . 1 1 27 27 GLN C    C 13 177.30 0.20 . 1 . . . . . . . . 5185 1 
       345 . 1 1 27 27 GLN CA   C 13  57.84 0.20 . 1 . . . . . . . . 5185 1 
       346 . 1 1 27 27 GLN CB   C 13  28.88 0.20 . 1 . . . . . . . . 5185 1 
       347 . 1 1 27 27 GLN CG   C 13  34.29 0.20 . 1 . . . . . . . . 5185 1 
       348 . 1 1 27 27 GLN N    N 15 116.11 0.10 . 1 . . . . . . . . 5185 1 
       349 . 1 1 27 27 GLN NE2  N 15 112.48 0.10 . 1 . . . . . . . . 5185 1 
       350 . 1 1 28 28 GLU H    H  1   7.24 0.02 . 1 . . . . . . . . 5185 1 
       351 . 1 1 28 28 GLU HA   H  1   4.16 0.02 . 1 . . . . . . . . 5185 1 
       352 . 1 1 28 28 GLU HB2  H  1   2.20 0.02 . 1 . . . . . . . . 5185 1 
       353 . 1 1 28 28 GLU HB3  H  1   2.20 0.02 . 1 . . . . . . . . 5185 1 
       354 . 1 1 28 28 GLU HG2  H  1   2.04 0.02 . 2 . . . . . . . . 5185 1 
       355 . 1 1 28 28 GLU HG3  H  1   1.96 0.02 . 2 . . . . . . . . 5185 1 
       356 . 1 1 28 28 GLU C    C 13 176.11 0.20 . 1 . . . . . . . . 5185 1 
       357 . 1 1 28 28 GLU CA   C 13  56.81 0.20 . 1 . . . . . . . . 5185 1 
       358 . 1 1 28 28 GLU CB   C 13  31.21 0.20 . 1 . . . . . . . . 5185 1 
       359 . 1 1 28 28 GLU CG   C 13  36.71 0.20 . 1 . . . . . . . . 5185 1 
       360 . 1 1 28 28 GLU N    N 15 117.74 0.10 . 1 . . . . . . . . 5185 1 
       361 . 1 1 29 29 TYR H    H  1   8.24 0.02 . 1 . . . . . . . . 5185 1 
       362 . 1 1 29 29 TYR HA   H  1   4.93 0.02 . 1 . . . . . . . . 5185 1 
       363 . 1 1 29 29 TYR HB2  H  1   3.19 0.02 . 2 . . . . . . . . 5185 1 
       364 . 1 1 29 29 TYR HB3  H  1   2.56 0.02 . 2 . . . . . . . . 5185 1 
       365 . 1 1 29 29 TYR HD1  H  1   7.08 0.02 . 1 . . . . . . . . 5185 1 
       366 . 1 1 29 29 TYR HD2  H  1   7.08 0.02 . 1 . . . . . . . . 5185 1 
       367 . 1 1 29 29 TYR HE1  H  1   6.50 0.02 . 1 . . . . . . . . 5185 1 
       368 . 1 1 29 29 TYR HE2  H  1   6.50 0.02 . 1 . . . . . . . . 5185 1 
       369 . 1 1 29 29 TYR C    C 13 173.46 0.20 . 1 . . . . . . . . 5185 1 
       370 . 1 1 29 29 TYR CA   C 13  56.62 0.20 . 1 . . . . . . . . 5185 1 
       371 . 1 1 29 29 TYR CB   C 13  38.37 0.20 . 1 . . . . . . . . 5185 1 
       372 . 1 1 29 29 TYR CD1  C 13 132.99 0.20 . 1 . . . . . . . . 5185 1 
       373 . 1 1 29 29 TYR CD2  C 13 132.99 0.20 . 1 . . . . . . . . 5185 1 
       374 . 1 1 29 29 TYR CE1  C 13 117.68 0.20 . 1 . . . . . . . . 5185 1 
       375 . 1 1 29 29 TYR CE2  C 13 117.68 0.20 . 1 . . . . . . . . 5185 1 
       376 . 1 1 29 29 TYR N    N 15 117.84 0.10 . 1 . . . . . . . . 5185 1 
       377 . 1 1 30 30 PRO HA   H  1   4.67 0.02 . 1 . . . . . . . . 5185 1 
       378 . 1 1 30 30 PRO HB2  H  1   2.34 0.02 . 2 . . . . . . . . 5185 1 
       379 . 1 1 30 30 PRO HB3  H  1   1.91 0.02 . 2 . . . . . . . . 5185 1 
       380 . 1 1 30 30 PRO HG2  H  1   2.00 0.02 . 1 . . . . . . . . 5185 1 
       381 . 1 1 30 30 PRO HG3  H  1   2.00 0.02 . 1 . . . . . . . . 5185 1 
       382 . 1 1 30 30 PRO HD2  H  1   3.67 0.02 . 2 . . . . . . . . 5185 1 
       383 . 1 1 30 30 PRO HD3  H  1   3.57 0.02 . 2 . . . . . . . . 5185 1 
       384 . 1 1 30 30 PRO C    C 13 177.77 0.20 . 1 . . . . . . . . 5185 1 
       385 . 1 1 30 30 PRO CA   C 13  64.67 0.20 . 1 . . . . . . . . 5185 1 
       386 . 1 1 30 30 PRO CB   C 13  31.91 0.20 . 1 . . . . . . . . 5185 1 
       387 . 1 1 30 30 PRO CG   C 13  27.02 0.20 . 1 . . . . . . . . 5185 1 
       388 . 1 1 30 30 PRO CD   C 13  50.51 0.20 . 1 . . . . . . . . 5185 1 
       389 . 1 1 31 31 ASP H    H  1   8.48 0.02 . 1 . . . . . . . . 5185 1 
       390 . 1 1 31 31 ASP HA   H  1   4.83 0.02 . 1 . . . . . . . . 5185 1 
       391 . 1 1 31 31 ASP HB2  H  1   2.92 0.02 . 2 . . . . . . . . 5185 1 
       392 . 1 1 31 31 ASP HB3  H  1   2.77 0.02 . 2 . . . . . . . . 5185 1 
       393 . 1 1 31 31 ASP C    C 13 177.51 0.20 . 1 . . . . . . . . 5185 1 
       394 . 1 1 31 31 ASP CA   C 13  54.44 0.20 . 1 . . . . . . . . 5185 1 
       395 . 1 1 31 31 ASP CB   C 13  40.69 0.20 . 1 . . . . . . . . 5185 1 
       396 . 1 1 31 31 ASP N    N 15 115.77 0.10 . 1 . . . . . . . . 5185 1 
       397 . 1 1 32 32 GLU H    H  1   7.80 0.02 . 1 . . . . . . . . 5185 1 
       398 . 1 1 32 32 GLU HA   H  1   4.88 0.02 . 1 . . . . . . . . 5185 1 
       399 . 1 1 32 32 GLU HB2  H  1   2.83 0.02 . 2 . . . . . . . . 5185 1 
       400 . 1 1 32 32 GLU HB3  H  1   2.34 0.02 . 2 . . . . . . . . 5185 1 
       401 . 1 1 32 32 GLU HG2  H  1   2.45 0.02 . 2 . . . . . . . . 5185 1 
       402 . 1 1 32 32 GLU HG3  H  1   2.38 0.02 . 2 . . . . . . . . 5185 1 
       403 . 1 1 32 32 GLU C    C 13 176.37 0.20 . 1 . . . . . . . . 5185 1 
       404 . 1 1 32 32 GLU CA   C 13  56.33 0.20 . 1 . . . . . . . . 5185 1 
       405 . 1 1 32 32 GLU CB   C 13  28.69 0.20 . 1 . . . . . . . . 5185 1 
       406 . 1 1 32 32 GLU CG   C 13  36.54 0.20 . 1 . . . . . . . . 5185 1 
       407 . 1 1 32 32 GLU N    N 15 121.77 0.10 . 1 . . . . . . . . 5185 1 
       408 . 1 1 33 33 ILE H    H  1   7.42 0.02 . 1 . . . . . . . . 5185 1 
       409 . 1 1 33 33 ILE HA   H  1   4.36 0.02 . 1 . . . . . . . . 5185 1 
       410 . 1 1 33 33 ILE HB   H  1   2.08 0.02 . 1 . . . . . . . . 5185 1 
       411 . 1 1 33 33 ILE HG12 H  1   1.35 0.02 . 2 . . . . . . . . 5185 1 
       412 . 1 1 33 33 ILE HG13 H  1   1.27 0.02 . 2 . . . . . . . . 5185 1 
       413 . 1 1 33 33 ILE HG21 H  1   0.97 0.02 . 1 . . . . . . . . 5185 1 
       414 . 1 1 33 33 ILE HG22 H  1   0.97 0.02 . 1 . . . . . . . . 5185 1 
       415 . 1 1 33 33 ILE HG23 H  1   0.97 0.02 . 1 . . . . . . . . 5185 1 
       416 . 1 1 33 33 ILE HD11 H  1   0.90 0.02 . 1 . . . . . . . . 5185 1 
       417 . 1 1 33 33 ILE HD12 H  1   0.90 0.02 . 1 . . . . . . . . 5185 1 
       418 . 1 1 33 33 ILE HD13 H  1   0.90 0.02 . 1 . . . . . . . . 5185 1 
       419 . 1 1 33 33 ILE C    C 13 176.58 0.20 . 1 . . . . . . . . 5185 1 
       420 . 1 1 33 33 ILE CA   C 13  62.09 0.20 . 1 . . . . . . . . 5185 1 
       421 . 1 1 33 33 ILE CB   C 13  39.21 0.20 . 1 . . . . . . . . 5185 1 
       422 . 1 1 33 33 ILE CG1  C 13  26.95 0.20 . 1 . . . . . . . . 5185 1 
       423 . 1 1 33 33 ILE CG2  C 13  18.19 0.20 . 1 . . . . . . . . 5185 1 
       424 . 1 1 33 33 ILE CD1  C 13  14.39 0.20 . 1 . . . . . . . . 5185 1 
       425 . 1 1 33 33 ILE N    N 15 114.85 0.10 . 1 . . . . . . . . 5185 1 
       426 . 1 1 34 34 GLU H    H  1   8.46 0.02 . 1 . . . . . . . . 5185 1 
       427 . 1 1 34 34 GLU HA   H  1   4.19 0.02 . 1 . . . . . . . . 5185 1 
       428 . 1 1 34 34 GLU HB2  H  1   1.77 0.02 . 1 . . . . . . . . 5185 1 
       429 . 1 1 34 34 GLU HB3  H  1   1.77 0.02 . 1 . . . . . . . . 5185 1 
       430 . 1 1 34 34 GLU HG2  H  1   2.03 0.02 . 2 . . . . . . . . 5185 1 
       431 . 1 1 34 34 GLU HG3  H  1   1.96 0.02 . 2 . . . . . . . . 5185 1 
       432 . 1 1 34 34 GLU C    C 13 175.78 0.20 . 1 . . . . . . . . 5185 1 
       433 . 1 1 34 34 GLU CA   C 13  57.50 0.20 . 1 . . . . . . . . 5185 1 
       434 . 1 1 34 34 GLU CB   C 13  30.20 0.20 . 1 . . . . . . . . 5185 1 
       435 . 1 1 34 34 GLU CG   C 13  36.75 0.20 . 1 . . . . . . . . 5185 1 
       436 . 1 1 34 34 GLU N    N 15 120.57 0.10 . 1 . . . . . . . . 5185 1 
       437 . 1 1 35 35 TYR H    H  1   7.67 0.02 . 1 . . . . . . . . 5185 1 
       438 . 1 1 35 35 TYR HA   H  1   4.79 0.02 . 1 . . . . . . . . 5185 1 
       439 . 1 1 35 35 TYR HB2  H  1   2.35 0.02 . 1 . . . . . . . . 5185 1 
       440 . 1 1 35 35 TYR HB3  H  1   2.35 0.02 . 1 . . . . . . . . 5185 1 
       441 . 1 1 35 35 TYR HD1  H  1   7.03 0.02 . 1 . . . . . . . . 5185 1 
       442 . 1 1 35 35 TYR HD2  H  1   7.03 0.02 . 1 . . . . . . . . 5185 1 
       443 . 1 1 35 35 TYR HE1  H  1   6.89 0.02 . 1 . . . . . . . . 5185 1 
       444 . 1 1 35 35 TYR HE2  H  1   6.89 0.02 . 1 . . . . . . . . 5185 1 
       445 . 1 1 35 35 TYR C    C 13 175.15 0.20 . 1 . . . . . . . . 5185 1 
       446 . 1 1 35 35 TYR CA   C 13  57.07 0.20 . 1 . . . . . . . . 5185 1 
       447 . 1 1 35 35 TYR CB   C 13  40.83 0.20 . 1 . . . . . . . . 5185 1 
       448 . 1 1 35 35 TYR CD1  C 13 133.28 0.20 . 1 . . . . . . . . 5185 1 
       449 . 1 1 35 35 TYR CD2  C 13 133.28 0.20 . 1 . . . . . . . . 5185 1 
       450 . 1 1 35 35 TYR CE1  C 13 118.19 0.20 . 1 . . . . . . . . 5185 1 
       451 . 1 1 35 35 TYR CE2  C 13 118.19 0.20 . 1 . . . . . . . . 5185 1 
       452 . 1 1 35 35 TYR N    N 15 116.20 0.10 . 1 . . . . . . . . 5185 1 
       453 . 1 1 36 36 ILE H    H  1   8.47 0.02 . 1 . . . . . . . . 5185 1 
       454 . 1 1 36 36 ILE HA   H  1   4.28 0.02 . 1 . . . . . . . . 5185 1 
       455 . 1 1 36 36 ILE HB   H  1   1.80 0.02 . 1 . . . . . . . . 5185 1 
       456 . 1 1 36 36 ILE HG12 H  1   1.56 0.02 . 2 . . . . . . . . 5185 1 
       457 . 1 1 36 36 ILE HG13 H  1   1.20 0.02 . 2 . . . . . . . . 5185 1 
       458 . 1 1 36 36 ILE HG21 H  1   0.99 0.02 . 1 . . . . . . . . 5185 1 
       459 . 1 1 36 36 ILE HG22 H  1   0.99 0.02 . 1 . . . . . . . . 5185 1 
       460 . 1 1 36 36 ILE HG23 H  1   0.99 0.02 . 1 . . . . . . . . 5185 1 
       461 . 1 1 36 36 ILE HD11 H  1   0.92 0.02 . 1 . . . . . . . . 5185 1 
       462 . 1 1 36 36 ILE HD12 H  1   0.92 0.02 . 1 . . . . . . . . 5185 1 
       463 . 1 1 36 36 ILE HD13 H  1   0.92 0.02 . 1 . . . . . . . . 5185 1 
       464 . 1 1 36 36 ILE C    C 13 174.63 0.20 . 1 . . . . . . . . 5185 1 
       465 . 1 1 36 36 ILE CA   C 13  60.50 0.20 . 1 . . . . . . . . 5185 1 
       466 . 1 1 36 36 ILE CB   C 13  40.06 0.20 . 1 . . . . . . . . 5185 1 
       467 . 1 1 36 36 ILE CG1  C 13  27.54 0.20 . 1 . . . . . . . . 5185 1 
       468 . 1 1 36 36 ILE CG2  C 13  17.82 0.20 . 1 . . . . . . . . 5185 1 
       469 . 1 1 36 36 ILE CD1  C 13  13.74 0.20 . 1 . . . . . . . . 5185 1 
       470 . 1 1 36 36 ILE N    N 15 118.24 0.10 . 1 . . . . . . . . 5185 1 
       471 . 1 1 37 37 PHE H    H  1   8.16 0.02 . 1 . . . . . . . . 5185 1 
       472 . 1 1 37 37 PHE HA   H  1   5.69 0.02 . 1 . . . . . . . . 5185 1 
       473 . 1 1 37 37 PHE HB2  H  1   3.09 0.02 . 1 . . . . . . . . 5185 1 
       474 . 1 1 37 37 PHE HB3  H  1   2.60 0.02 . 1 . . . . . . . . 5185 1 
       475 . 1 1 37 37 PHE HD1  H  1   7.11 0.02 . 1 . . . . . . . . 5185 1 
       476 . 1 1 37 37 PHE HD2  H  1   7.11 0.02 . 1 . . . . . . . . 5185 1 
       477 . 1 1 37 37 PHE HE1  H  1   7.14 0.02 . 1 . . . . . . . . 5185 1 
       478 . 1 1 37 37 PHE HE2  H  1   7.14 0.02 . 1 . . . . . . . . 5185 1 
       479 . 1 1 37 37 PHE HZ   H  1   7.19 0.02 . 1 . . . . . . . . 5185 1 
       480 . 1 1 37 37 PHE C    C 13 176.40 0.20 . 1 . . . . . . . . 5185 1 
       481 . 1 1 37 37 PHE CA   C 13  56.45 0.20 . 1 . . . . . . . . 5185 1 
       482 . 1 1 37 37 PHE CB   C 13  42.52 0.20 . 1 . . . . . . . . 5185 1 
       483 . 1 1 37 37 PHE CD1  C 13 131.71 0.20 . 1 . . . . . . . . 5185 1 
       484 . 1 1 37 37 PHE CD2  C 13 131.71 0.20 . 1 . . . . . . . . 5185 1 
       485 . 1 1 37 37 PHE CE1  C 13 130.78 0.20 . 1 . . . . . . . . 5185 1 
       486 . 1 1 37 37 PHE CE2  C 13 130.78 0.20 . 1 . . . . . . . . 5185 1 
       487 . 1 1 37 37 PHE CZ   C 13 128.67 0.20 . 1 . . . . . . . . 5185 1 
       488 . 1 1 37 37 PHE N    N 15 123.45 0.10 . 1 . . . . . . . . 5185 1 
       489 . 1 1 38 38 LYS H    H  1   8.99 0.02 . 1 . . . . . . . . 5185 1 
       490 . 1 1 38 38 LYS HA   H  1   4.78 0.02 . 1 . . . . . . . . 5185 1 
       491 . 1 1 38 38 LYS HB2  H  1   2.09 0.02 . 2 . . . . . . . . 5185 1 
       492 . 1 1 38 38 LYS HB3  H  1   1.96 0.02 . 2 . . . . . . . . 5185 1 
       493 . 1 1 38 38 LYS HG2  H  1   1.61 0.02 . 2 . . . . . . . . 5185 1 
       494 . 1 1 38 38 LYS HG3  H  1   1.52 0.02 . 2 . . . . . . . . 5185 1 
       495 . 1 1 38 38 LYS HD2  H  1   2.10 0.02 . 2 . . . . . . . . 5185 1 
       496 . 1 1 38 38 LYS HD3  H  1   1.91 0.02 . 2 . . . . . . . . 5185 1 
       497 . 1 1 38 38 LYS HE2  H  1   3.15 0.02 . 2 . . . . . . . . 5185 1 
       498 . 1 1 38 38 LYS HE3  H  1   2.89 0.02 . 2 . . . . . . . . 5185 1 
       499 . 1 1 38 38 LYS C    C 13 175.27 0.20 . 1 . . . . . . . . 5185 1 
       500 . 1 1 38 38 LYS CA   C 13  53.89 0.20 . 1 . . . . . . . . 5185 1 
       501 . 1 1 38 38 LYS CB   C 13  36.21 0.20 . 1 . . . . . . . . 5185 1 
       502 . 1 1 38 38 LYS CG   C 13  25.46 0.20 . 1 . . . . . . . . 5185 1 
       503 . 1 1 38 38 LYS CD   C 13  28.99 0.20 . 1 . . . . . . . . 5185 1 
       504 . 1 1 38 38 LYS CE   C 13  42.45 0.20 . 1 . . . . . . . . 5185 1 
       505 . 1 1 38 38 LYS N    N 15 119.74 0.10 . 1 . . . . . . . . 5185 1 
       506 . 1 1 39 39 PRO HA   H  1   5.24 0.02 . 1 . . . . . . . . 5185 1 
       507 . 1 1 39 39 PRO HB2  H  1   2.76 0.02 . 1 . . . . . . . . 5185 1 
       508 . 1 1 39 39 PRO HB3  H  1   2.76 0.02 . 1 . . . . . . . . 5185 1 
       509 . 1 1 39 39 PRO HG2  H  1   2.05 0.02 . 2 . . . . . . . . 5185 1 
       510 . 1 1 39 39 PRO HG3  H  1   1.81 0.02 . 2 . . . . . . . . 5185 1 
       511 . 1 1 39 39 PRO HD2  H  1   4.16 0.02 . 2 . . . . . . . . 5185 1 
       512 . 1 1 39 39 PRO HD3  H  1   3.29 0.02 . 2 . . . . . . . . 5185 1 
       513 . 1 1 39 39 PRO C    C 13 174.13 0.20 . 1 . . . . . . . . 5185 1 
       514 . 1 1 39 39 PRO CA   C 13  63.69 0.20 . 1 . . . . . . . . 5185 1 
       515 . 1 1 39 39 PRO CB   C 13  36.05 0.20 . 1 . . . . . . . . 5185 1 
       516 . 1 1 39 39 PRO CG   C 13  25.55 0.20 . 1 . . . . . . . . 5185 1 
       517 . 1 1 39 39 PRO CD   C 13  49.17 0.20 . 1 . . . . . . . . 5185 1 
       518 . 1 1 40 40 SER H    H  1   8.28 0.02 . 1 . . . . . . . . 5185 1 
       519 . 1 1 40 40 SER HA   H  1   4.35 0.02 . 1 . . . . . . . . 5185 1 
       520 . 1 1 40 40 SER HB2  H  1   4.36 0.02 . 2 . . . . . . . . 5185 1 
       521 . 1 1 40 40 SER HB3  H  1   4.08 0.02 . 2 . . . . . . . . 5185 1 
       522 . 1 1 40 40 SER C    C 13 173.13 0.20 . 1 . . . . . . . . 5185 1 
       523 . 1 1 40 40 SER CA   C 13  58.97 0.20 . 1 . . . . . . . . 5185 1 
       524 . 1 1 40 40 SER CB   C 13  63.77 0.20 . 1 . . . . . . . . 5185 1 
       525 . 1 1 40 40 SER N    N 15 108.19 0.10 . 1 . . . . . . . . 5185 1 
       526 . 1 1 41 41 CYS H    H  1   8.14 0.02 . 1 . . . . . . . . 5185 1 
       527 . 1 1 41 41 CYS HA   H  1   5.68 0.02 . 1 . . . . . . . . 5185 1 
       528 . 1 1 41 41 CYS HB2  H  1   3.49 0.02 . 1 . . . . . . . . 5185 1 
       529 . 1 1 41 41 CYS HB3  H  1   2.26 0.02 . 1 . . . . . . . . 5185 1 
       530 . 1 1 41 41 CYS C    C 13 170.78 0.20 . 1 . . . . . . . . 5185 1 
       531 . 1 1 41 41 CYS CA   C 13  55.80 0.20 . 1 . . . . . . . . 5185 1 
       532 . 1 1 41 41 CYS CB   C 13  39.31 0.20 . 1 . . . . . . . . 5185 1 
       533 . 1 1 41 41 CYS N    N 15 123.68 0.10 . 1 . . . . . . . . 5185 1 
       534 . 1 1 42 42 VAL H    H  1   8.47 0.02 . 1 . . . . . . . . 5185 1 
       535 . 1 1 42 42 VAL HA   H  1   4.83 0.02 . 1 . . . . . . . . 5185 1 
       536 . 1 1 42 42 VAL HB   H  1   1.42 0.02 . 1 . . . . . . . . 5185 1 
       537 . 1 1 42 42 VAL HG11 H  1   0.44 0.02 . 1 . . . . . . . . 5185 1 
       538 . 1 1 42 42 VAL HG12 H  1   0.44 0.02 . 1 . . . . . . . . 5185 1 
       539 . 1 1 42 42 VAL HG13 H  1   0.44 0.02 . 1 . . . . . . . . 5185 1 
       540 . 1 1 42 42 VAL HG21 H  1  -0.11 0.02 . 1 . . . . . . . . 5185 1 
       541 . 1 1 42 42 VAL HG22 H  1  -0.11 0.02 . 1 . . . . . . . . 5185 1 
       542 . 1 1 42 42 VAL HG23 H  1  -0.11 0.02 . 1 . . . . . . . . 5185 1 
       543 . 1 1 42 42 VAL C    C 13 172.74 0.20 . 1 . . . . . . . . 5185 1 
       544 . 1 1 42 42 VAL CA   C 13  56.80 0.20 . 1 . . . . . . . . 5185 1 
       545 . 1 1 42 42 VAL CB   C 13  34.11 0.20 . 1 . . . . . . . . 5185 1 
       546 . 1 1 42 42 VAL CG1  C 13  23.32 0.20 . 1 . . . . . . . . 5185 1 
       547 . 1 1 42 42 VAL CG2  C 13  16.21 0.20 . 1 . . . . . . . . 5185 1 
       548 . 1 1 42 42 VAL N    N 15 110.01 0.10 . 1 . . . . . . . . 5185 1 
       549 . 1 1 43 43 PRO HA   H  1   4.97 0.02 . 1 . . . . . . . . 5185 1 
       550 . 1 1 43 43 PRO HB2  H  1   1.91 0.02 . 2 . . . . . . . . 5185 1 
       551 . 1 1 43 43 PRO HB3  H  1   1.61 0.02 . 2 . . . . . . . . 5185 1 
       552 . 1 1 43 43 PRO HG2  H  1   2.26 0.02 . 2 . . . . . . . . 5185 1 
       553 . 1 1 43 43 PRO HG3  H  1   1.64 0.02 . 2 . . . . . . . . 5185 1 
       554 . 1 1 43 43 PRO HD2  H  1   3.55 0.02 . 2 . . . . . . . . 5185 1 
       555 . 1 1 43 43 PRO HD3  H  1   3.42 0.02 . 2 . . . . . . . . 5185 1 
       556 . 1 1 43 43 PRO C    C 13 175.26 0.20 . 1 . . . . . . . . 5185 1 
       557 . 1 1 43 43 PRO CA   C 13  60.79 0.20 . 1 . . . . . . . . 5185 1 
       558 . 1 1 43 43 PRO CB   C 13  30.31 0.20 . 1 . . . . . . . . 5185 1 
       559 . 1 1 43 43 PRO CG   C 13  26.77 0.20 . 1 . . . . . . . . 5185 1 
       560 . 1 1 43 43 PRO CD   C 13  49.60 0.20 . 1 . . . . . . . . 5185 1 
       561 . 1 1 44 44 LEU H    H  1   9.00 0.02 . 1 . . . . . . . . 5185 1 
       562 . 1 1 44 44 LEU HA   H  1   4.74 0.02 . 1 . . . . . . . . 5185 1 
       563 . 1 1 44 44 LEU HB2  H  1   1.34 0.02 . 1 . . . . . . . . 5185 1 
       564 . 1 1 44 44 LEU HB3  H  1   1.19 0.02 . 1 . . . . . . . . 5185 1 
       565 . 1 1 44 44 LEU HG   H  1   1.17 0.02 . 1 . . . . . . . . 5185 1 
       566 . 1 1 44 44 LEU HD11 H  1   0.60 0.02 . 2 . . . . . . . . 5185 1 
       567 . 1 1 44 44 LEU HD12 H  1   0.60 0.02 . 2 . . . . . . . . 5185 1 
       568 . 1 1 44 44 LEU HD13 H  1   0.60 0.02 . 2 . . . . . . . . 5185 1 
       569 . 1 1 44 44 LEU HD21 H  1   0.58 0.02 . 2 . . . . . . . . 5185 1 
       570 . 1 1 44 44 LEU HD22 H  1   0.58 0.02 . 2 . . . . . . . . 5185 1 
       571 . 1 1 44 44 LEU HD23 H  1   0.58 0.02 . 2 . . . . . . . . 5185 1 
       572 . 1 1 44 44 LEU C    C 13 176.44 0.20 . 1 . . . . . . . . 5185 1 
       573 . 1 1 44 44 LEU CA   C 13  52.52 0.20 . 1 . . . . . . . . 5185 1 
       574 . 1 1 44 44 LEU CB   C 13  47.02 0.20 . 1 . . . . . . . . 5185 1 
       575 . 1 1 44 44 LEU CG   C 13  26.40 0.20 . 1 . . . . . . . . 5185 1 
       576 . 1 1 44 44 LEU CD1  C 13  25.32 0.20 . 2 . . . . . . . . 5185 1 
       577 . 1 1 44 44 LEU CD2  C 13  23.67 0.20 . 2 . . . . . . . . 5185 1 
       578 . 1 1 44 44 LEU N    N 15 124.35 0.10 . 1 . . . . . . . . 5185 1 
       579 . 1 1 45 45 MET H    H  1   8.63 0.02 . 1 . . . . . . . . 5185 1 
       580 . 1 1 45 45 MET HA   H  1   4.78 0.02 . 1 . . . . . . . . 5185 1 
       581 . 1 1 45 45 MET HB2  H  1   2.57 0.02 . 2 . . . . . . . . 5185 1 
       582 . 1 1 45 45 MET HB3  H  1   2.66 0.02 . 2 . . . . . . . . 5185 1 
       583 . 1 1 45 45 MET HG2  H  1   1.78 0.02 . 1 . . . . . . . . 5185 1 
       584 . 1 1 45 45 MET HG3  H  1   1.78 0.02 . 1 . . . . . . . . 5185 1 
       585 . 1 1 45 45 MET HE1  H  1   1.93 0.02 . 1 . . . . . . . . 5185 1 
       586 . 1 1 45 45 MET HE2  H  1   1.93 0.02 . 1 . . . . . . . . 5185 1 
       587 . 1 1 45 45 MET HE3  H  1   1.93 0.02 . 1 . . . . . . . . 5185 1 
       588 . 1 1 45 45 MET C    C 13 176.61 0.20 . 1 . . . . . . . . 5185 1 
       589 . 1 1 45 45 MET CA   C 13  53.79 0.20 . 1 . . . . . . . . 5185 1 
       590 . 1 1 45 45 MET CB   C 13  31.38 0.20 . 1 . . . . . . . . 5185 1 
       591 . 1 1 45 45 MET CG   C 13  30.96 0.20 . 1 . . . . . . . . 5185 1 
       592 . 1 1 45 45 MET CE   C 13  16.09 0.20 . 1 . . . . . . . . 5185 1 
       593 . 1 1 45 45 MET N    N 15 121.13 0.10 . 1 . . . . . . . . 5185 1 
       594 . 1 1 46 46 ARG H    H  1   8.65 0.02 . 1 . . . . . . . . 5185 1 
       595 . 1 1 46 46 ARG HA   H  1   4.58 0.02 . 1 . . . . . . . . 5185 1 
       596 . 1 1 46 46 ARG HB2  H  1   1.75 0.02 . 1 . . . . . . . . 5185 1 
       597 . 1 1 46 46 ARG HB3  H  1   1.75 0.02 . 1 . . . . . . . . 5185 1 
       598 . 1 1 46 46 ARG HG2  H  1   1.45 0.02 . 2 . . . . . . . . 5185 1 
       599 . 1 1 46 46 ARG HG3  H  1   1.00 0.02 . 2 . . . . . . . . 5185 1 
       600 . 1 1 46 46 ARG HD2  H  1   2.60 0.02 . 2 . . . . . . . . 5185 1 
       601 . 1 1 46 46 ARG HD3  H  1   2.19 0.02 . 2 . . . . . . . . 5185 1 
       602 . 1 1 46 46 ARG C    C 13 176.05 0.20 . 1 . . . . . . . . 5185 1 
       603 . 1 1 46 46 ARG CA   C 13  51.98 0.20 . 1 . . . . . . . . 5185 1 
       604 . 1 1 46 46 ARG CB   C 13  34.68 0.20 . 1 . . . . . . . . 5185 1 
       605 . 1 1 46 46 ARG CG   C 13  26.91 0.20 . 1 . . . . . . . . 5185 1 
       606 . 1 1 46 46 ARG CD   C 13  41.40 0.20 . 1 . . . . . . . . 5185 1 
       607 . 1 1 46 46 ARG N    N 15 125.39 0.10 . 1 . . . . . . . . 5185 1 
       608 . 1 1 47 47 CYS H    H  1  12.12 0.02 . 1 . . . . . . . . 5185 1 
       609 . 1 1 47 47 CYS HA   H  1   4.34 0.02 . 1 . . . . . . . . 5185 1 
       610 . 1 1 47 47 CYS HB2  H  1   2.79 0.02 . 1 . . . . . . . . 5185 1 
       611 . 1 1 47 47 CYS HB3  H  1   2.79 0.02 . 1 . . . . . . . . 5185 1 
       612 . 1 1 47 47 CYS C    C 13 175.09 0.20 . 1 . . . . . . . . 5185 1 
       613 . 1 1 47 47 CYS CA   C 13  57.18 0.20 . 1 . . . . . . . . 5185 1 
       614 . 1 1 47 47 CYS CB   C 13  39.52 0.20 . 1 . . . . . . . . 5185 1 
       615 . 1 1 47 47 CYS N    N 15 125.87 0.10 . 1 . . . . . . . . 5185 1 
       616 . 1 1 48 48 GLY H    H  1   8.41 0.02 . 1 . . . . . . . . 5185 1 
       617 . 1 1 48 48 GLY HA2  H  1   3.67 0.02 . 2 . . . . . . . . 5185 1 
       618 . 1 1 48 48 GLY HA3  H  1   4.33 0.02 . 2 . . . . . . . . 5185 1 
       619 . 1 1 48 48 GLY C    C 13 170.24 0.20 . 1 . . . . . . . . 5185 1 
       620 . 1 1 48 48 GLY CA   C 13  44.46 0.20 . 1 . . . . . . . . 5185 1 
       621 . 1 1 48 48 GLY N    N 15 111.95 0.10 . 1 . . . . . . . . 5185 1 
       622 . 1 1 49 49 GLY H    H  1   8.25 0.02 . 1 . . . . . . . . 5185 1 
       623 . 1 1 49 49 GLY HA2  H  1   3.48 0.02 . 2 . . . . . . . . 5185 1 
       624 . 1 1 49 49 GLY HA3  H  1   4.63 0.02 . 2 . . . . . . . . 5185 1 
       625 . 1 1 49 49 GLY C    C 13 173.71 0.20 . 1 . . . . . . . . 5185 1 
       626 . 1 1 49 49 GLY CA   C 13  44.62 0.20 . 1 . . . . . . . . 5185 1 
       627 . 1 1 49 49 GLY N    N 15 104.01 0.10 . 1 . . . . . . . . 5185 1 
       628 . 1 1 50 50 CYS H    H  1   8.08 0.02 . 1 . . . . . . . . 5185 1 
       629 . 1 1 50 50 CYS HA   H  1   5.24 0.02 . 1 . . . . . . . . 5185 1 
       630 . 1 1 50 50 CYS HB2  H  1   3.38 0.02 . 1 . . . . . . . . 5185 1 
       631 . 1 1 50 50 CYS HB3  H  1   3.38 0.02 . 1 . . . . . . . . 5185 1 
       632 . 1 1 50 50 CYS C    C 13 174.66 0.20 . 1 . . . . . . . . 5185 1 
       633 . 1 1 50 50 CYS CA   C 13  52.48 0.20 . 1 . . . . . . . . 5185 1 
       634 . 1 1 50 50 CYS CB   C 13  43.56 0.20 . 1 . . . . . . . . 5185 1 
       635 . 1 1 50 50 CYS N    N 15 111.52 0.10 . 1 . . . . . . . . 5185 1 
       636 . 1 1 51 51 CYS H    H  1   8.08 0.02 . 1 . . . . . . . . 5185 1 
       637 . 1 1 51 51 CYS HA   H  1   4.54 0.02 . 1 . . . . . . . . 5185 1 
       638 . 1 1 51 51 CYS HB2  H  1   3.40 0.02 . 1 . . . . . . . . 5185 1 
       639 . 1 1 51 51 CYS HB3  H  1   2.73 0.02 . 1 . . . . . . . . 5185 1 
       640 . 1 1 51 51 CYS C    C 13 174.51 0.20 . 1 . . . . . . . . 5185 1 
       641 . 1 1 51 51 CYS CA   C 13  54.13 0.20 . 1 . . . . . . . . 5185 1 
       642 . 1 1 51 51 CYS CB   C 13  45.06 0.20 . 1 . . . . . . . . 5185 1 
       643 . 1 1 51 51 CYS N    N 15 117.91 0.10 . 1 . . . . . . . . 5185 1 
       644 . 1 1 52 52 ASN HA   H  1   4.61 0.02 . 1 . . . . . . . . 5185 1 
       645 . 1 1 52 52 ASN HB2  H  1   2.62 0.02 . 2 . . . . . . . . 5185 1 
       646 . 1 1 52 52 ASN HB3  H  1   2.31 0.02 . 2 . . . . . . . . 5185 1 
       647 . 1 1 52 52 ASN HD21 H  1   6.77 0.02 . 1 . . . . . . . . 5185 1 
       648 . 1 1 52 52 ASN HD22 H  1   6.17 0.02 . 1 . . . . . . . . 5185 1 
       649 . 1 1 52 52 ASN C    C 13 172.98 0.20 . 1 . . . . . . . . 5185 1 
       650 . 1 1 52 52 ASN CA   C 13  55.44 0.20 . 1 . . . . . . . . 5185 1 
       651 . 1 1 52 52 ASN CB   C 13  38.04 0.20 . 1 . . . . . . . . 5185 1 
       652 . 1 1 52 52 ASN ND2  N 15 115.32 0.10 . 1 . . . . . . . . 5185 1 
       653 . 1 1 53 53 ASP H    H  1   6.83 0.02 . 1 . . . . . . . . 5185 1 
       654 . 1 1 53 53 ASP HA   H  1   4.83 0.02 . 1 . . . . . . . . 5185 1 
       655 . 1 1 53 53 ASP HB2  H  1   2.56 0.02 . 1 . . . . . . . . 5185 1 
       656 . 1 1 53 53 ASP HB3  H  1   2.30 0.02 . 1 . . . . . . . . 5185 1 
       657 . 1 1 53 53 ASP C    C 13 175.53 0.20 . 1 . . . . . . . . 5185 1 
       658 . 1 1 53 53 ASP CA   C 13  53.05 0.20 . 1 . . . . . . . . 5185 1 
       659 . 1 1 53 53 ASP CB   C 13  47.18 0.20 . 1 . . . . . . . . 5185 1 
       660 . 1 1 53 53 ASP N    N 15 114.00 0.10 . 1 . . . . . . . . 5185 1 
       661 . 1 1 54 54 GLU H    H  1   8.79 0.02 . 1 . . . . . . . . 5185 1 
       662 . 1 1 54 54 GLU HA   H  1   4.28 0.02 . 1 . . . . . . . . 5185 1 
       663 . 1 1 54 54 GLU HB2  H  1   2.17 0.02 . 1 . . . . . . . . 5185 1 
       664 . 1 1 54 54 GLU HB3  H  1   2.17 0.02 . 1 . . . . . . . . 5185 1 
       665 . 1 1 54 54 GLU HG2  H  1   2.41 0.02 . 2 . . . . . . . . 5185 1 
       666 . 1 1 54 54 GLU HG3  H  1   2.37 0.02 . 2 . . . . . . . . 5185 1 
       667 . 1 1 54 54 GLU C    C 13 176.22 0.20 . 1 . . . . . . . . 5185 1 
       668 . 1 1 54 54 GLU CA   C 13  58.33 0.20 . 1 . . . . . . . . 5185 1 
       669 . 1 1 54 54 GLU CB   C 13  29.39 0.20 . 1 . . . . . . . . 5185 1 
       670 . 1 1 54 54 GLU CG   C 13  36.26 0.20 . 1 . . . . . . . . 5185 1 
       671 . 1 1 54 54 GLU N    N 15 123.92 0.10 . 1 . . . . . . . . 5185 1 
       672 . 1 1 55 55 GLY H    H  1   9.12 0.02 . 1 . . . . . . . . 5185 1 
       673 . 1 1 55 55 GLY HA2  H  1   3.76 0.02 . 2 . . . . . . . . 5185 1 
       674 . 1 1 55 55 GLY HA3  H  1   4.18 0.02 . 2 . . . . . . . . 5185 1 
       675 . 1 1 55 55 GLY C    C 13 173.45 0.20 . 1 . . . . . . . . 5185 1 
       676 . 1 1 55 55 GLY CA   C 13  45.07 0.20 . 1 . . . . . . . . 5185 1 
       677 . 1 1 55 55 GLY N    N 15 107.96 0.10 . 1 . . . . . . . . 5185 1 
       678 . 1 1 56 56 LEU H    H  1   7.57 0.02 . 1 . . . . . . . . 5185 1 
       679 . 1 1 56 56 LEU HA   H  1   4.95 0.02 . 1 . . . . . . . . 5185 1 
       680 . 1 1 56 56 LEU HB2  H  1   1.79 0.02 . 1 . . . . . . . . 5185 1 
       681 . 1 1 56 56 LEU HB3  H  1   1.26 0.02 . 1 . . . . . . . . 5185 1 
       682 . 1 1 56 56 LEU HG   H  1   1.55 0.02 . 1 . . . . . . . . 5185 1 
       683 . 1 1 56 56 LEU HD11 H  1   0.89 0.02 . 1 . . . . . . . . 5185 1 
       684 . 1 1 56 56 LEU HD12 H  1   0.89 0.02 . 1 . . . . . . . . 5185 1 
       685 . 1 1 56 56 LEU HD13 H  1   0.89 0.02 . 1 . . . . . . . . 5185 1 
       686 . 1 1 56 56 LEU HD21 H  1   0.67 0.02 . 1 . . . . . . . . 5185 1 
       687 . 1 1 56 56 LEU HD22 H  1   0.67 0.02 . 1 . . . . . . . . 5185 1 
       688 . 1 1 56 56 LEU HD23 H  1   0.67 0.02 . 1 . . . . . . . . 5185 1 
       689 . 1 1 56 56 LEU C    C 13 174.48 0.20 . 1 . . . . . . . . 5185 1 
       690 . 1 1 56 56 LEU CA   C 13  53.18 0.20 . 1 . . . . . . . . 5185 1 
       691 . 1 1 56 56 LEU CB   C 13  44.36 0.20 . 1 . . . . . . . . 5185 1 
       692 . 1 1 56 56 LEU CG   C 13  27.56 0.20 . 1 . . . . . . . . 5185 1 
       693 . 1 1 56 56 LEU CD1  C 13  27.63 0.20 . 1 . . . . . . . . 5185 1 
       694 . 1 1 56 56 LEU CD2  C 13  23.32 0.20 . 1 . . . . . . . . 5185 1 
       695 . 1 1 56 56 LEU N    N 15 120.67 0.10 . 1 . . . . . . . . 5185 1 
       696 . 1 1 57 57 GLU H    H  1   9.24 0.02 . 1 . . . . . . . . 5185 1 
       697 . 1 1 57 57 GLU HA   H  1   4.67 0.02 . 1 . . . . . . . . 5185 1 
       698 . 1 1 57 57 GLU HB2  H  1   1.90 0.02 . 2 . . . . . . . . 5185 1 
       699 . 1 1 57 57 GLU HB3  H  1   1.84 0.02 . 2 . . . . . . . . 5185 1 
       700 . 1 1 57 57 GLU HG2  H  1   2.19 0.02 . 2 . . . . . . . . 5185 1 
       701 . 1 1 57 57 GLU HG3  H  1   2.15 0.02 . 2 . . . . . . . . 5185 1 
       702 . 1 1 57 57 GLU C    C 13 173.94 0.20 . 1 . . . . . . . . 5185 1 
       703 . 1 1 57 57 GLU CA   C 13  53.19 0.20 . 1 . . . . . . . . 5185 1 
       704 . 1 1 57 57 GLU CB   C 13  32.81 0.20 . 1 . . . . . . . . 5185 1 
       705 . 1 1 57 57 GLU CG   C 13  34.71 0.20 . 1 . . . . . . . . 5185 1 
       706 . 1 1 57 57 GLU N    N 15 118.67 0.10 . 1 . . . . . . . . 5185 1 
       707 . 1 1 58 58 CYS H    H  1   8.60 0.02 . 1 . . . . . . . . 5185 1 
       708 . 1 1 58 58 CYS HA   H  1   4.81 0.02 . 1 . . . . . . . . 5185 1 
       709 . 1 1 58 58 CYS HB2  H  1   2.75 0.02 . 1 . . . . . . . . 5185 1 
       710 . 1 1 58 58 CYS HB3  H  1   2.49 0.02 . 1 . . . . . . . . 5185 1 
       711 . 1 1 58 58 CYS C    C 13 173.88 0.20 . 1 . . . . . . . . 5185 1 
       712 . 1 1 58 58 CYS CA   C 13  54.48 0.20 . 1 . . . . . . . . 5185 1 
       713 . 1 1 58 58 CYS CB   C 13  35.76 0.20 . 1 . . . . . . . . 5185 1 
       714 . 1 1 58 58 CYS N    N 15 122.77 0.10 . 1 . . . . . . . . 5185 1 
       715 . 1 1 59 59 VAL H    H  1   8.94 0.02 . 1 . . . . . . . . 5185 1 
       716 . 1 1 59 59 VAL HA   H  1   4.87 0.02 . 1 . . . . . . . . 5185 1 
       717 . 1 1 59 59 VAL HB   H  1   2.17 0.02 . 1 . . . . . . . . 5185 1 
       718 . 1 1 59 59 VAL HG11 H  1   0.85 0.02 . 2 . . . . . . . . 5185 1 
       719 . 1 1 59 59 VAL HG12 H  1   0.85 0.02 . 2 . . . . . . . . 5185 1 
       720 . 1 1 59 59 VAL HG13 H  1   0.85 0.02 . 2 . . . . . . . . 5185 1 
       721 . 1 1 59 59 VAL HG21 H  1   0.84 0.02 . 2 . . . . . . . . 5185 1 
       722 . 1 1 59 59 VAL HG22 H  1   0.84 0.02 . 2 . . . . . . . . 5185 1 
       723 . 1 1 59 59 VAL HG23 H  1   0.84 0.02 . 2 . . . . . . . . 5185 1 
       724 . 1 1 59 59 VAL C    C 13 172.65 0.20 . 1 . . . . . . . . 5185 1 
       725 . 1 1 59 59 VAL CA   C 13  57.70 0.20 . 1 . . . . . . . . 5185 1 
       726 . 1 1 59 59 VAL CB   C 13  34.08 0.20 . 1 . . . . . . . . 5185 1 
       727 . 1 1 59 59 VAL CG1  C 13  21.83 0.20 . 2 . . . . . . . . 5185 1 
       728 . 1 1 59 59 VAL CG2  C 13  18.33 0.20 . 2 . . . . . . . . 5185 1 
       729 . 1 1 59 59 VAL N    N 15 123.99 0.10 . 1 . . . . . . . . 5185 1 
       730 . 1 1 60 60 PRO HA   H  1   5.10 0.02 . 1 . . . . . . . . 5185 1 
       731 . 1 1 60 60 PRO HB2  H  1   1.49 0.02 . 2 . . . . . . . . 5185 1 
       732 . 1 1 60 60 PRO HB3  H  1   1.10 0.02 . 2 . . . . . . . . 5185 1 
       733 . 1 1 60 60 PRO HG2  H  1   1.84 0.02 . 1 . . . . . . . . 5185 1 
       734 . 1 1 60 60 PRO HG3  H  1   1.84 0.02 . 1 . . . . . . . . 5185 1 
       735 . 1 1 60 60 PRO HD2  H  1   3.68 0.02 . 2 . . . . . . . . 5185 1 
       736 . 1 1 60 60 PRO HD3  H  1   3.28 0.02 . 2 . . . . . . . . 5185 1 
       737 . 1 1 60 60 PRO C    C 13 178.25 0.20 . 1 . . . . . . . . 5185 1 
       738 . 1 1 60 60 PRO CA   C 13  62.15 0.20 . 1 . . . . . . . . 5185 1 
       739 . 1 1 60 60 PRO CB   C 13  31.68 0.20 . 1 . . . . . . . . 5185 1 
       740 . 1 1 60 60 PRO CG   C 13  27.15 0.20 . 1 . . . . . . . . 5185 1 
       741 . 1 1 60 60 PRO CD   C 13  50.45 0.20 . 1 . . . . . . . . 5185 1 
       742 . 1 1 61 61 THR H    H  1   8.45 0.02 . 1 . . . . . . . . 5185 1 
       743 . 1 1 61 61 THR HA   H  1   4.42 0.02 . 1 . . . . . . . . 5185 1 
       744 . 1 1 61 61 THR HB   H  1   4.26 0.02 . 1 . . . . . . . . 5185 1 
       745 . 1 1 61 61 THR HG21 H  1   0.98 0.02 . 1 . . . . . . . . 5185 1 
       746 . 1 1 61 61 THR HG22 H  1   0.98 0.02 . 1 . . . . . . . . 5185 1 
       747 . 1 1 61 61 THR HG23 H  1   0.98 0.02 . 1 . . . . . . . . 5185 1 
       748 . 1 1 61 61 THR C    C 13 175.15 0.20 . 1 . . . . . . . . 5185 1 
       749 . 1 1 61 61 THR CA   C 13  60.81 0.20 . 1 . . . . . . . . 5185 1 
       750 . 1 1 61 61 THR CB   C 13  68.64 0.20 . 1 . . . . . . . . 5185 1 
       751 . 1 1 61 61 THR CG2  C 13  22.89 0.20 . 1 . . . . . . . . 5185 1 
       752 . 1 1 61 61 THR N    N 15 110.69 0.10 . 1 . . . . . . . . 5185 1 
       753 . 1 1 62 62 GLU H    H  1   7.20 0.02 . 1 . . . . . . . . 5185 1 
       754 . 1 1 62 62 GLU HA   H  1   4.61 0.02 . 1 . . . . . . . . 5185 1 
       755 . 1 1 62 62 GLU HB2  H  1   1.98 0.02 . 2 . . . . . . . . 5185 1 
       756 . 1 1 62 62 GLU HB3  H  1   1.92 0.02 . 2 . . . . . . . . 5185 1 
       757 . 1 1 62 62 GLU HG2  H  1   2.37 0.02 . 2 . . . . . . . . 5185 1 
       758 . 1 1 62 62 GLU HG3  H  1   2.23 0.02 . 2 . . . . . . . . 5185 1 
       759 . 1 1 62 62 GLU C    C 13 174.97 0.20 . 1 . . . . . . . . 5185 1 
       760 . 1 1 62 62 GLU CA   C 13  56.77 0.20 . 1 . . . . . . . . 5185 1 
       761 . 1 1 62 62 GLU CB   C 13  34.03 0.20 . 1 . . . . . . . . 5185 1 
       762 . 1 1 62 62 GLU CG   C 13  36.59 0.20 . 1 . . . . . . . . 5185 1 
       763 . 1 1 62 62 GLU N    N 15 120.77 0.10 . 1 . . . . . . . . 5185 1 
       764 . 1 1 63 63 GLU H    H  1   8.82 0.02 . 1 . . . . . . . . 5185 1 
       765 . 1 1 63 63 GLU HA   H  1   5.50 0.02 . 1 . . . . . . . . 5185 1 
       766 . 1 1 63 63 GLU HB2  H  1   2.31 0.02 . 2 . . . . . . . . 5185 1 
       767 . 1 1 63 63 GLU HB3  H  1   2.12 0.02 . 2 . . . . . . . . 5185 1 
       768 . 1 1 63 63 GLU HG2  H  1   2.24 0.02 . 2 . . . . . . . . 5185 1 
       769 . 1 1 63 63 GLU HG3  H  1   2.11 0.02 . 2 . . . . . . . . 5185 1 
       770 . 1 1 63 63 GLU C    C 13 174.84 0.20 . 1 . . . . . . . . 5185 1 
       771 . 1 1 63 63 GLU CA   C 13  54.88 0.20 . 1 . . . . . . . . 5185 1 
       772 . 1 1 63 63 GLU CB   C 13  33.84 0.20 . 1 . . . . . . . . 5185 1 
       773 . 1 1 63 63 GLU CG   C 13  36.20 0.20 . 1 . . . . . . . . 5185 1 
       774 . 1 1 63 63 GLU N    N 15 125.71 0.10 . 1 . . . . . . . . 5185 1 
       775 . 1 1 64 64 SER H    H  1   8.83 0.02 . 1 . . . . . . . . 5185 1 
       776 . 1 1 64 64 SER HA   H  1   4.75 0.02 . 1 . . . . . . . . 5185 1 
       777 . 1 1 64 64 SER HB2  H  1   4.01 0.02 . 1 . . . . . . . . 5185 1 
       778 . 1 1 64 64 SER HB3  H  1   4.01 0.02 . 1 . . . . . . . . 5185 1 
       779 . 1 1 64 64 SER C    C 13 172.47 0.20 . 1 . . . . . . . . 5185 1 
       780 . 1 1 64 64 SER CA   C 13  57.76 0.20 . 1 . . . . . . . . 5185 1 
       781 . 1 1 64 64 SER CB   C 13  64.95 0.20 . 1 . . . . . . . . 5185 1 
       782 . 1 1 64 64 SER N    N 15 113.42 0.10 . 1 . . . . . . . . 5185 1 
       783 . 1 1 65 65 ASN H    H  1   8.53 0.02 . 1 . . . . . . . . 5185 1 
       784 . 1 1 65 65 ASN HA   H  1   5.82 0.02 . 1 . . . . . . . . 5185 1 
       785 . 1 1 65 65 ASN HB2  H  1   2.61 0.02 . 1 . . . . . . . . 5185 1 
       786 . 1 1 65 65 ASN HB3  H  1   2.61 0.02 . 1 . . . . . . . . 5185 1 
       787 . 1 1 65 65 ASN HD21 H  1   7.06 0.02 . 1 . . . . . . . . 5185 1 
       788 . 1 1 65 65 ASN HD22 H  1   6.65 0.02 . 1 . . . . . . . . 5185 1 
       789 . 1 1 65 65 ASN C    C 13 174.83 0.20 . 1 . . . . . . . . 5185 1 
       790 . 1 1 65 65 ASN CA   C 13  52.69 0.20 . 1 . . . . . . . . 5185 1 
       791 . 1 1 65 65 ASN CB   C 13  41.53 0.20 . 1 . . . . . . . . 5185 1 
       792 . 1 1 65 65 ASN N    N 15 117.80 0.10 . 1 . . . . . . . . 5185 1 
       793 . 1 1 65 65 ASN ND2  N 15 110.94 0.10 . 1 . . . . . . . . 5185 1 
       794 . 1 1 66 66 ILE H    H  1   9.36 0.02 . 1 . . . . . . . . 5185 1 
       795 . 1 1 66 66 ILE HA   H  1   4.74 0.02 . 1 . . . . . . . . 5185 1 
       796 . 1 1 66 66 ILE HB   H  1   1.77 0.02 . 1 . . . . . . . . 5185 1 
       797 . 1 1 66 66 ILE HG12 H  1   1.64 0.02 . 2 . . . . . . . . 5185 1 
       798 . 1 1 66 66 ILE HG13 H  1   1.14 0.02 . 2 . . . . . . . . 5185 1 
       799 . 1 1 66 66 ILE HG21 H  1   0.93 0.02 . 1 . . . . . . . . 5185 1 
       800 . 1 1 66 66 ILE HG22 H  1   0.93 0.02 . 1 . . . . . . . . 5185 1 
       801 . 1 1 66 66 ILE HG23 H  1   0.93 0.02 . 1 . . . . . . . . 5185 1 
       802 . 1 1 66 66 ILE HD11 H  1   0.94 0.02 . 1 . . . . . . . . 5185 1 
       803 . 1 1 66 66 ILE HD12 H  1   0.94 0.02 . 1 . . . . . . . . 5185 1 
       804 . 1 1 66 66 ILE HD13 H  1   0.94 0.02 . 1 . . . . . . . . 5185 1 
       805 . 1 1 66 66 ILE C    C 13 172.77 0.20 . 1 . . . . . . . . 5185 1 
       806 . 1 1 66 66 ILE CA   C 13  59.28 0.20 . 1 . . . . . . . . 5185 1 
       807 . 1 1 66 66 ILE CB   C 13  42.38 0.20 . 1 . . . . . . . . 5185 1 
       808 . 1 1 66 66 ILE CG1  C 13  29.16 0.20 . 1 . . . . . . . . 5185 1 
       809 . 1 1 66 66 ILE CG2  C 13  14.42 0.20 . 1 . . . . . . . . 5185 1 
       810 . 1 1 66 66 ILE CD1  C 13  17.35 0.20 . 1 . . . . . . . . 5185 1 
       811 . 1 1 66 66 ILE N    N 15 122.47 0.10 . 1 . . . . . . . . 5185 1 
       812 . 1 1 67 67 THR H    H  1   8.46 0.02 . 1 . . . . . . . . 5185 1 
       813 . 1 1 67 67 THR HA   H  1   5.20 0.02 . 1 . . . . . . . . 5185 1 
       814 . 1 1 67 67 THR HB   H  1   4.02 0.02 . 1 . . . . . . . . 5185 1 
       815 . 1 1 67 67 THR HG21 H  1   1.13 0.02 . 1 . . . . . . . . 5185 1 
       816 . 1 1 67 67 THR HG22 H  1   1.13 0.02 . 1 . . . . . . . . 5185 1 
       817 . 1 1 67 67 THR HG23 H  1   1.13 0.02 . 1 . . . . . . . . 5185 1 
       818 . 1 1 67 67 THR C    C 13 173.31 0.20 . 1 . . . . . . . . 5185 1 
       819 . 1 1 67 67 THR CA   C 13  61.79 0.20 . 1 . . . . . . . . 5185 1 
       820 . 1 1 67 67 THR CB   C 13  69.35 0.20 . 1 . . . . . . . . 5185 1 
       821 . 1 1 67 67 THR CG2  C 13  23.34 0.20 . 1 . . . . . . . . 5185 1 
       822 . 1 1 67 67 THR N    N 15 122.82 0.10 . 1 . . . . . . . . 5185 1 
       823 . 1 1 68 68 MET H    H  1   9.19 0.02 . 1 . . . . . . . . 5185 1 
       824 . 1 1 68 68 MET HA   H  1   5.07 0.02 . 1 . . . . . . . . 5185 1 
       825 . 1 1 68 68 MET HB2  H  1   2.10 0.02 . 2 . . . . . . . . 5185 1 
       826 . 1 1 68 68 MET HB3  H  1   1.94 0.02 . 2 . . . . . . . . 5185 1 
       827 . 1 1 68 68 MET HG2  H  1   2.61 0.02 . 2 . . . . . . . . 5185 1 
       828 . 1 1 68 68 MET HG3  H  1   2.43 0.02 . 2 . . . . . . . . 5185 1 
       829 . 1 1 68 68 MET HE1  H  1   1.96 0.02 . 1 . . . . . . . . 5185 1 
       830 . 1 1 68 68 MET HE2  H  1   1.96 0.02 . 1 . . . . . . . . 5185 1 
       831 . 1 1 68 68 MET HE3  H  1   1.96 0.02 . 1 . . . . . . . . 5185 1 
       832 . 1 1 68 68 MET C    C 13 174.48 0.20 . 1 . . . . . . . . 5185 1 
       833 . 1 1 68 68 MET CA   C 13  54.33 0.20 . 1 . . . . . . . . 5185 1 
       834 . 1 1 68 68 MET CB   C 13  37.41 0.20 . 1 . . . . . . . . 5185 1 
       835 . 1 1 68 68 MET CG   C 13  33.95 0.20 . 1 . . . . . . . . 5185 1 
       836 . 1 1 68 68 MET CE   C 13  19.48 0.20 . 1 . . . . . . . . 5185 1 
       837 . 1 1 68 68 MET N    N 15 123.85 0.10 . 1 . . . . . . . . 5185 1 
       838 . 1 1 69 69 GLN H    H  1   8.09 0.02 . 1 . . . . . . . . 5185 1 
       839 . 1 1 69 69 GLN HA   H  1   4.83 0.02 . 1 . . . . . . . . 5185 1 
       840 . 1 1 69 69 GLN HB2  H  1   2.31 0.02 . 2 . . . . . . . . 5185 1 
       841 . 1 1 69 69 GLN HB3  H  1   1.84 0.02 . 2 . . . . . . . . 5185 1 
       842 . 1 1 69 69 GLN HG2  H  1   2.56 0.02 . 2 . . . . . . . . 5185 1 
       843 . 1 1 69 69 GLN HG3  H  1   2.18 0.02 . 2 . . . . . . . . 5185 1 
       844 . 1 1 69 69 GLN HE21 H  1   7.83 0.02 . 1 . . . . . . . . 5185 1 
       845 . 1 1 69 69 GLN HE22 H  1   6.84 0.02 . 1 . . . . . . . . 5185 1 
       846 . 1 1 69 69 GLN C    C 13 173.05 0.20 . 1 . . . . . . . . 5185 1 
       847 . 1 1 69 69 GLN CA   C 13  55.82 0.20 . 1 . . . . . . . . 5185 1 
       848 . 1 1 69 69 GLN CB   C 13  29.58 0.20 . 1 . . . . . . . . 5185 1 
       849 . 1 1 69 69 GLN CG   C 13  34.06 0.20 . 1 . . . . . . . . 5185 1 
       850 . 1 1 69 69 GLN N    N 15 121.08 0.10 . 1 . . . . . . . . 5185 1 
       851 . 1 1 69 69 GLN NE2  N 15 111.89 0.10 . 1 . . . . . . . . 5185 1 
       852 . 1 1 70 70 ILE H    H  1   8.26 0.02 . 1 . . . . . . . . 5185 1 
       853 . 1 1 70 70 ILE HA   H  1   4.74 0.02 . 1 . . . . . . . . 5185 1 
       854 . 1 1 70 70 ILE HB   H  1   1.80 0.02 . 1 . . . . . . . . 5185 1 
       855 . 1 1 70 70 ILE HG12 H  1   1.64 0.02 . 2 . . . . . . . . 5185 1 
       856 . 1 1 70 70 ILE HG13 H  1   1.51 0.02 . 2 . . . . . . . . 5185 1 
       857 . 1 1 70 70 ILE HG21 H  1   1.08 0.02 . 1 . . . . . . . . 5185 1 
       858 . 1 1 70 70 ILE HG22 H  1   1.08 0.02 . 1 . . . . . . . . 5185 1 
       859 . 1 1 70 70 ILE HG23 H  1   1.08 0.02 . 1 . . . . . . . . 5185 1 
       860 . 1 1 70 70 ILE HD11 H  1   0.88 0.02 . 1 . . . . . . . . 5185 1 
       861 . 1 1 70 70 ILE HD12 H  1   0.88 0.02 . 1 . . . . . . . . 5185 1 
       862 . 1 1 70 70 ILE HD13 H  1   0.88 0.02 . 1 . . . . . . . . 5185 1 
       863 . 1 1 70 70 ILE C    C 13 176.13 0.20 . 1 . . . . . . . . 5185 1 
       864 . 1 1 70 70 ILE CA   C 13  57.44 0.20 . 1 . . . . . . . . 5185 1 
       865 . 1 1 70 70 ILE CB   C 13  41.66 0.20 . 1 . . . . . . . . 5185 1 
       866 . 1 1 70 70 ILE CG1  C 13  26.83 0.20 . 1 . . . . . . . . 5185 1 
       867 . 1 1 70 70 ILE CG2  C 13  18.51 0.20 . 1 . . . . . . . . 5185 1 
       868 . 1 1 70 70 ILE CD1  C 13  10.90 0.20 . 1 . . . . . . . . 5185 1 
       869 . 1 1 70 70 ILE N    N 15 119.35 0.10 . 1 . . . . . . . . 5185 1 
       870 . 1 1 71 71 MET H    H  1   9.05 0.02 . 1 . . . . . . . . 5185 1 
       871 . 1 1 71 71 MET HA   H  1   4.69 0.02 . 1 . . . . . . . . 5185 1 
       872 . 1 1 71 71 MET HB2  H  1   2.38 0.02 . 1 . . . . . . . . 5185 1 
       873 . 1 1 71 71 MET HB3  H  1   2.38 0.02 . 1 . . . . . . . . 5185 1 
       874 . 1 1 71 71 MET HG2  H  1   2.36 0.02 . 2 . . . . . . . . 5185 1 
       875 . 1 1 71 71 MET HG3  H  1   2.30 0.02 . 2 . . . . . . . . 5185 1 
       876 . 1 1 71 71 MET HE1  H  1   1.62 0.02 . 1 . . . . . . . . 5185 1 
       877 . 1 1 71 71 MET HE2  H  1   1.62 0.02 . 1 . . . . . . . . 5185 1 
       878 . 1 1 71 71 MET HE3  H  1   1.62 0.02 . 1 . . . . . . . . 5185 1 
       879 . 1 1 71 71 MET C    C 13 173.85 0.20 . 1 . . . . . . . . 5185 1 
       880 . 1 1 71 71 MET CA   C 13  55.79 0.20 . 1 . . . . . . . . 5185 1 
       881 . 1 1 71 71 MET CB   C 13  34.04 0.20 . 1 . . . . . . . . 5185 1 
       882 . 1 1 71 71 MET CG   C 13  32.23 0.20 . 1 . . . . . . . . 5185 1 
       883 . 1 1 71 71 MET CE   C 13  16.99 0.20 . 1 . . . . . . . . 5185 1 
       884 . 1 1 71 71 MET N    N 15 127.24 0.10 . 1 . . . . . . . . 5185 1 
       885 . 1 1 72 72 ARG H    H  1   8.82 0.02 . 1 . . . . . . . . 5185 1 
       886 . 1 1 72 72 ARG HA   H  1   4.82 0.02 . 1 . . . . . . . . 5185 1 
       887 . 1 1 72 72 ARG HB2  H  1   1.32 0.02 . 1 . . . . . . . . 5185 1 
       888 . 1 1 72 72 ARG HB3  H  1   1.32 0.02 . 1 . . . . . . . . 5185 1 
       889 . 1 1 72 72 ARG HG2  H  1   1.33 0.02 . 2 . . . . . . . . 5185 1 
       890 . 1 1 72 72 ARG HG3  H  1   1.21 0.02 . 2 . . . . . . . . 5185 1 
       891 . 1 1 72 72 ARG HD2  H  1   2.70 0.02 . 2 . . . . . . . . 5185 1 
       892 . 1 1 72 72 ARG HD3  H  1   2.50 0.02 . 2 . . . . . . . . 5185 1 
       893 . 1 1 72 72 ARG C    C 13 175.54 0.20 . 1 . . . . . . . . 5185 1 
       894 . 1 1 72 72 ARG CA   C 13  54.65 0.20 . 1 . . . . . . . . 5185 1 
       895 . 1 1 72 72 ARG CB   C 13  32.31 0.20 . 1 . . . . . . . . 5185 1 
       896 . 1 1 72 72 ARG CG   C 13  27.29 0.20 . 1 . . . . . . . . 5185 1 
       897 . 1 1 72 72 ARG CD   C 13  43.59 0.20 . 1 . . . . . . . . 5185 1 
       898 . 1 1 72 72 ARG N    N 15 127.23 0.10 . 1 . . . . . . . . 5185 1 
       899 . 1 1 73 73 ILE H    H  1   9.25 0.02 . 1 . . . . . . . . 5185 1 
       900 . 1 1 73 73 ILE HA   H  1   4.54 0.02 . 1 . . . . . . . . 5185 1 
       901 . 1 1 73 73 ILE HB   H  1   1.86 0.02 . 1 . . . . . . . . 5185 1 
       902 . 1 1 73 73 ILE HG12 H  1   1.42 0.02 . 2 . . . . . . . . 5185 1 
       903 . 1 1 73 73 ILE HG13 H  1   1.01 0.02 . 2 . . . . . . . . 5185 1 
       904 . 1 1 73 73 ILE HG21 H  1   0.81 0.02 . 1 . . . . . . . . 5185 1 
       905 . 1 1 73 73 ILE HG22 H  1   0.81 0.02 . 1 . . . . . . . . 5185 1 
       906 . 1 1 73 73 ILE HG23 H  1   0.81 0.02 . 1 . . . . . . . . 5185 1 
       907 . 1 1 73 73 ILE HD11 H  1   0.86 0.02 . 1 . . . . . . . . 5185 1 
       908 . 1 1 73 73 ILE HD12 H  1   0.86 0.02 . 1 . . . . . . . . 5185 1 
       909 . 1 1 73 73 ILE HD13 H  1   0.86 0.02 . 1 . . . . . . . . 5185 1 
       910 . 1 1 73 73 ILE C    C 13 175.15 0.20 . 1 . . . . . . . . 5185 1 
       911 . 1 1 73 73 ILE CA   C 13  60.79 0.20 . 1 . . . . . . . . 5185 1 
       912 . 1 1 73 73 ILE CB   C 13  40.57 0.20 . 1 . . . . . . . . 5185 1 
       913 . 1 1 73 73 ILE CG1  C 13  28.22 0.20 . 1 . . . . . . . . 5185 1 
       914 . 1 1 73 73 ILE CG2  C 13  17.26 0.20 . 1 . . . . . . . . 5185 1 
       915 . 1 1 73 73 ILE CD1  C 13  14.72 0.20 . 1 . . . . . . . . 5185 1 
       916 . 1 1 73 73 ILE N    N 15 125.70 0.10 . 1 . . . . . . . . 5185 1 
       917 . 1 1 74 74 LYS H    H  1   8.35 0.02 . 1 . . . . . . . . 5185 1 
       918 . 1 1 74 74 LYS HA   H  1   5.03 0.02 . 1 . . . . . . . . 5185 1 
       919 . 1 1 74 74 LYS HB2  H  1   1.88 0.02 . 1 . . . . . . . . 5185 1 
       920 . 1 1 74 74 LYS HB3  H  1   1.66 0.02 . 1 . . . . . . . . 5185 1 
       921 . 1 1 74 74 LYS HG2  H  1   1.50 0.02 . 1 . . . . . . . . 5185 1 
       922 . 1 1 74 74 LYS HG3  H  1   1.50 0.02 . 1 . . . . . . . . 5185 1 
       923 . 1 1 74 74 LYS HD2  H  1   1.32 0.02 . 1 . . . . . . . . 5185 1 
       924 . 1 1 74 74 LYS HD3  H  1   1.32 0.02 . 1 . . . . . . . . 5185 1 
       925 . 1 1 74 74 LYS HE2  H  1   2.74 0.02 . 1 . . . . . . . . 5185 1 
       926 . 1 1 74 74 LYS HE3  H  1   2.74 0.02 . 1 . . . . . . . . 5185 1 
       927 . 1 1 74 74 LYS C    C 13 174.37 0.20 . 1 . . . . . . . . 5185 1 
       928 . 1 1 74 74 LYS CA   C 13  52.76 0.20 . 1 . . . . . . . . 5185 1 
       929 . 1 1 74 74 LYS CB   C 13  34.24 0.20 . 1 . . . . . . . . 5185 1 
       930 . 1 1 74 74 LYS CG   C 13  29.10 0.20 . 1 . . . . . . . . 5185 1 
       931 . 1 1 74 74 LYS CD   C 13  25.01 0.20 . 1 . . . . . . . . 5185 1 
       932 . 1 1 74 74 LYS CE   C 13  41.83 0.20 . 1 . . . . . . . . 5185 1 
       933 . 1 1 74 74 LYS N    N 15 128.46 0.10 . 1 . . . . . . . . 5185 1 
       934 . 1 1 75 75 PRO HA   H  1   4.06 0.02 . 1 . . . . . . . . 5185 1 
       935 . 1 1 75 75 PRO HB2  H  1   2.10 0.02 . 2 . . . . . . . . 5185 1 
       936 . 1 1 75 75 PRO HB3  H  1   1.81 0.02 . 2 . . . . . . . . 5185 1 
       937 . 1 1 75 75 PRO HG2  H  1   2.16 0.02 . 2 . . . . . . . . 5185 1 
       938 . 1 1 75 75 PRO HG3  H  1   1.89 0.02 . 2 . . . . . . . . 5185 1 
       939 . 1 1 75 75 PRO HD2  H  1   4.02 0.02 . 2 . . . . . . . . 5185 1 
       940 . 1 1 75 75 PRO HD3  H  1   3.71 0.02 . 2 . . . . . . . . 5185 1 
       941 . 1 1 75 75 PRO C    C 13 176.35 0.20 . 1 . . . . . . . . 5185 1 
       942 . 1 1 75 75 PRO CA   C 13  64.47 0.20 . 1 . . . . . . . . 5185 1 
       943 . 1 1 75 75 PRO CB   C 13  31.45 0.20 . 1 . . . . . . . . 5185 1 
       944 . 1 1 75 75 PRO CG   C 13  27.52 0.20 . 1 . . . . . . . . 5185 1 
       945 . 1 1 75 75 PRO CD   C 13  51.48 0.20 . 1 . . . . . . . . 5185 1 
       946 . 1 1 76 76 HIS H    H  1   7.97 0.02 . 1 . . . . . . . . 5185 1 
       947 . 1 1 76 76 HIS HA   H  1   4.30 0.02 . 1 . . . . . . . . 5185 1 
       948 . 1 1 76 76 HIS HB2  H  1   3.54 0.02 . 2 . . . . . . . . 5185 1 
       949 . 1 1 76 76 HIS HB3  H  1   3.34 0.02 . 2 . . . . . . . . 5185 1 
       950 . 1 1 76 76 HIS C    C 13 175.05 0.20 . 1 . . . . . . . . 5185 1 
       951 . 1 1 76 76 HIS CA   C 13  58.07 0.20 . 1 . . . . . . . . 5185 1 
       952 . 1 1 76 76 HIS CB   C 13  28.60 0.20 . 1 . . . . . . . . 5185 1 
       953 . 1 1 76 76 HIS N    N 15 121.02 0.10 . 1 . . . . . . . . 5185 1 
       954 . 1 1 77 77 GLN H    H  1   8.32 0.02 . 1 . . . . . . . . 5185 1 
       955 . 1 1 77 77 GLN HA   H  1   4.69 0.02 . 1 . . . . . . . . 5185 1 
       956 . 1 1 77 77 GLN HB2  H  1   2.27 0.02 . 2 . . . . . . . . 5185 1 
       957 . 1 1 77 77 GLN HB3  H  1   1.81 0.02 . 2 . . . . . . . . 5185 1 
       958 . 1 1 77 77 GLN HG2  H  1   2.39 0.02 . 2 . . . . . . . . 5185 1 
       959 . 1 1 77 77 GLN HG3  H  1   2.35 0.02 . 2 . . . . . . . . 5185 1 
       960 . 1 1 77 77 GLN HE21 H  1   7.48 0.02 . 1 . . . . . . . . 5185 1 
       961 . 1 1 77 77 GLN HE22 H  1   6.80 0.02 . 1 . . . . . . . . 5185 1 
       962 . 1 1 77 77 GLN C    C 13 175.69 0.20 . 1 . . . . . . . . 5185 1 
       963 . 1 1 77 77 GLN CA   C 13  56.28 0.20 . 1 . . . . . . . . 5185 1 
       964 . 1 1 77 77 GLN CB   C 13  31.11 0.20 . 1 . . . . . . . . 5185 1 
       965 . 1 1 77 77 GLN CG   C 13  34.06 0.20 . 1 . . . . . . . . 5185 1 
       966 . 1 1 77 77 GLN N    N 15 118.62 0.10 . 1 . . . . . . . . 5185 1 
       967 . 1 1 77 77 GLN NE2  N 15 111.58 0.10 . 1 . . . . . . . . 5185 1 
       968 . 1 1 78 78 GLY H    H  1   8.20 0.02 . 1 . . . . . . . . 5185 1 
       969 . 1 1 78 78 GLY HA2  H  1   3.99 0.02 . 2 . . . . . . . . 5185 1 
       970 . 1 1 78 78 GLY HA3  H  1   4.34 0.02 . 2 . . . . . . . . 5185 1 
       971 . 1 1 78 78 GLY C    C 13 172.17 0.20 . 1 . . . . . . . . 5185 1 
       972 . 1 1 78 78 GLY CA   C 13  45.53 0.20 . 1 . . . . . . . . 5185 1 
       973 . 1 1 78 78 GLY N    N 15 107.89 0.10 . 1 . . . . . . . . 5185 1 
       974 . 1 1 79 79 GLN H    H  1   8.25 0.02 . 1 . . . . . . . . 5185 1 
       975 . 1 1 79 79 GLN HA   H  1   5.30 0.02 . 1 . . . . . . . . 5185 1 
       976 . 1 1 79 79 GLN HB2  H  1   2.10 0.02 . 2 . . . . . . . . 5185 1 
       977 . 1 1 79 79 GLN HB3  H  1   1.94 0.02 . 2 . . . . . . . . 5185 1 
       978 . 1 1 79 79 GLN HG2  H  1   2.34 0.02 . 2 . . . . . . . . 5185 1 
       979 . 1 1 79 79 GLN HG3  H  1   2.29 0.02 . 2 . . . . . . . . 5185 1 
       980 . 1 1 79 79 GLN HE21 H  1   7.17 0.02 . 1 . . . . . . . . 5185 1 
       981 . 1 1 79 79 GLN HE22 H  1   6.43 0.02 . 1 . . . . . . . . 5185 1 
       982 . 1 1 79 79 GLN C    C 13 174.91 0.20 . 1 . . . . . . . . 5185 1 
       983 . 1 1 79 79 GLN CA   C 13  54.08 0.20 . 1 . . . . . . . . 5185 1 
       984 . 1 1 79 79 GLN CB   C 13  31.70 0.20 . 1 . . . . . . . . 5185 1 
       985 . 1 1 79 79 GLN CG   C 13  32.27 0.20 . 1 . . . . . . . . 5185 1 
       986 . 1 1 79 79 GLN N    N 15 116.83 0.10 . 1 . . . . . . . . 5185 1 
       987 . 1 1 79 79 GLN NE2  N 15 108.73 0.10 . 1 . . . . . . . . 5185 1 
       988 . 1 1 80 80 HIS H    H  1   8.35 0.02 . 1 . . . . . . . . 5185 1 
       989 . 1 1 80 80 HIS HA   H  1   4.82 0.02 . 1 . . . . . . . . 5185 1 
       990 . 1 1 80 80 HIS HB2  H  1   3.11 0.02 . 1 . . . . . . . . 5185 1 
       991 . 1 1 80 80 HIS HB3  H  1   3.11 0.02 . 1 . . . . . . . . 5185 1 
       992 . 1 1 80 80 HIS C    C 13 173.58 0.20 . 1 . . . . . . . . 5185 1 
       993 . 1 1 80 80 HIS CA   C 13  56.08 0.20 . 1 . . . . . . . . 5185 1 
       994 . 1 1 80 80 HIS CB   C 13  33.04 0.20 . 1 . . . . . . . . 5185 1 
       995 . 1 1 80 80 HIS N    N 15 118.35 0.10 . 1 . . . . . . . . 5185 1 
       996 . 1 1 81 81 ILE H    H  1   8.52 0.02 . 1 . . . . . . . . 5185 1 
       997 . 1 1 81 81 ILE HA   H  1   4.42 0.02 . 1 . . . . . . . . 5185 1 
       998 . 1 1 81 81 ILE HB   H  1   1.64 0.02 . 1 . . . . . . . . 5185 1 
       999 . 1 1 81 81 ILE HG12 H  1   1.51 0.02 . 2 . . . . . . . . 5185 1 
      1000 . 1 1 81 81 ILE HG13 H  1   0.52 0.02 . 2 . . . . . . . . 5185 1 
      1001 . 1 1 81 81 ILE HG21 H  1   0.72 0.02 . 1 . . . . . . . . 5185 1 
      1002 . 1 1 81 81 ILE HG22 H  1   0.72 0.02 . 1 . . . . . . . . 5185 1 
      1003 . 1 1 81 81 ILE HG23 H  1   0.72 0.02 . 1 . . . . . . . . 5185 1 
      1004 . 1 1 81 81 ILE HD11 H  1   0.46 0.02 . 1 . . . . . . . . 5185 1 
      1005 . 1 1 81 81 ILE HD12 H  1   0.46 0.02 . 1 . . . . . . . . 5185 1 
      1006 . 1 1 81 81 ILE HD13 H  1   0.46 0.02 . 1 . . . . . . . . 5185 1 
      1007 . 1 1 81 81 ILE C    C 13 175.47 0.20 . 1 . . . . . . . . 5185 1 
      1008 . 1 1 81 81 ILE CA   C 13  61.02 0.20 . 1 . . . . . . . . 5185 1 
      1009 . 1 1 81 81 ILE CB   C 13  37.71 0.20 . 1 . . . . . . . . 5185 1 
      1010 . 1 1 81 81 ILE CG1  C 13  28.30 0.20 . 1 . . . . . . . . 5185 1 
      1011 . 1 1 81 81 ILE CG2  C 13  17.99 0.20 . 1 . . . . . . . . 5185 1 
      1012 . 1 1 81 81 ILE CD1  C 13  12.29 0.20 . 1 . . . . . . . . 5185 1 
      1013 . 1 1 81 81 ILE N    N 15 124.47 0.10 . 1 . . . . . . . . 5185 1 
      1014 . 1 1 82 82 GLY H    H  1   8.56 0.02 . 1 . . . . . . . . 5185 1 
      1015 . 1 1 82 82 GLY HA2  H  1   3.68 0.02 . 2 . . . . . . . . 5185 1 
      1016 . 1 1 82 82 GLY HA3  H  1   4.67 0.02 . 2 . . . . . . . . 5185 1 
      1017 . 1 1 82 82 GLY C    C 13 171.67 0.20 . 1 . . . . . . . . 5185 1 
      1018 . 1 1 82 82 GLY CA   C 13  43.88 0.20 . 1 . . . . . . . . 5185 1 
      1019 . 1 1 82 82 GLY N    N 15 115.94 0.10 . 1 . . . . . . . . 5185 1 
      1020 . 1 1 83 83 GLU H    H  1   8.22 0.02 . 1 . . . . . . . . 5185 1 
      1021 . 1 1 83 83 GLU HA   H  1   4.82 0.02 . 1 . . . . . . . . 5185 1 
      1022 . 1 1 83 83 GLU HB2  H  1   1.90 0.02 . 2 . . . . . . . . 5185 1 
      1023 . 1 1 83 83 GLU HB3  H  1   1.69 0.02 . 2 . . . . . . . . 5185 1 
      1024 . 1 1 83 83 GLU HG2  H  1   2.32 0.02 . 2 . . . . . . . . 5185 1 
      1025 . 1 1 83 83 GLU HG3  H  1   2.03 0.02 . 2 . . . . . . . . 5185 1 
      1026 . 1 1 83 83 GLU C    C 13 176.69 0.20 . 1 . . . . . . . . 5185 1 
      1027 . 1 1 83 83 GLU CA   C 13  55.84 0.20 . 1 . . . . . . . . 5185 1 
      1028 . 1 1 83 83 GLU CB   C 13  30.89 0.20 . 1 . . . . . . . . 5185 1 
      1029 . 1 1 83 83 GLU CG   C 13  37.20 0.20 . 1 . . . . . . . . 5185 1 
      1030 . 1 1 83 83 GLU N    N 15 118.62 0.10 . 1 . . . . . . . . 5185 1 
      1031 . 1 1 84 84 MET H    H  1   9.07 0.02 . 1 . . . . . . . . 5185 1 
      1032 . 1 1 84 84 MET HA   H  1   4.52 0.02 . 1 . . . . . . . . 5185 1 
      1033 . 1 1 84 84 MET HB2  H  1   1.63 0.02 . 1 . . . . . . . . 5185 1 
      1034 . 1 1 84 84 MET HB3  H  1   1.63 0.02 . 1 . . . . . . . . 5185 1 
      1035 . 1 1 84 84 MET HG2  H  1   2.11 0.02 . 1 . . . . . . . . 5185 1 
      1036 . 1 1 84 84 MET HG3  H  1   2.11 0.02 . 1 . . . . . . . . 5185 1 
      1037 . 1 1 84 84 MET HE1  H  1   1.02 0.02 . 1 . . . . . . . . 5185 1 
      1038 . 1 1 84 84 MET HE2  H  1   1.02 0.02 . 1 . . . . . . . . 5185 1 
      1039 . 1 1 84 84 MET HE3  H  1   1.02 0.02 . 1 . . . . . . . . 5185 1 
      1040 . 1 1 84 84 MET C    C 13 173.66 0.20 . 1 . . . . . . . . 5185 1 
      1041 . 1 1 84 84 MET CA   C 13  55.17 0.20 . 1 . . . . . . . . 5185 1 
      1042 . 1 1 84 84 MET CB   C 13  37.77 0.20 . 1 . . . . . . . . 5185 1 
      1043 . 1 1 84 84 MET CG   C 13  32.23 0.20 . 1 . . . . . . . . 5185 1 
      1044 . 1 1 84 84 MET CE   C 13  15.69 0.20 . 1 . . . . . . . . 5185 1 
      1045 . 1 1 84 84 MET N    N 15 123.10 0.10 . 1 . . . . . . . . 5185 1 
      1046 . 1 1 85 85 SER H    H  1   7.92 0.02 . 1 . . . . . . . . 5185 1 
      1047 . 1 1 85 85 SER HA   H  1   5.48 0.02 . 1 . . . . . . . . 5185 1 
      1048 . 1 1 85 85 SER HB2  H  1   3.71 0.02 . 2 . . . . . . . . 5185 1 
      1049 . 1 1 85 85 SER HB3  H  1   3.64 0.02 . 2 . . . . . . . . 5185 1 
      1050 . 1 1 85 85 SER C    C 13 173.69 0.20 . 1 . . . . . . . . 5185 1 
      1051 . 1 1 85 85 SER CA   C 13  56.78 0.20 . 1 . . . . . . . . 5185 1 
      1052 . 1 1 85 85 SER CB   C 13  64.67 0.20 . 1 . . . . . . . . 5185 1 
      1053 . 1 1 85 85 SER N    N 15 116.42 0.10 . 1 . . . . . . . . 5185 1 
      1054 . 1 1 86 86 PHE H    H  1   9.26 0.02 . 1 . . . . . . . . 5185 1 
      1055 . 1 1 86 86 PHE HA   H  1   4.95 0.02 . 1 . . . . . . . . 5185 1 
      1056 . 1 1 86 86 PHE HB2  H  1   3.08 0.02 . 1 . . . . . . . . 5185 1 
      1057 . 1 1 86 86 PHE HB3  H  1   2.55 0.02 . 1 . . . . . . . . 5185 1 
      1058 . 1 1 86 86 PHE HD1  H  1   7.23 0.02 . 1 . . . . . . . . 5185 1 
      1059 . 1 1 86 86 PHE HD2  H  1   7.23 0.02 . 1 . . . . . . . . 5185 1 
      1060 . 1 1 86 86 PHE HE1  H  1   7.06 0.02 . 1 . . . . . . . . 5185 1 
      1061 . 1 1 86 86 PHE HE2  H  1   7.06 0.02 . 1 . . . . . . . . 5185 1 
      1062 . 1 1 86 86 PHE HZ   H  1   6.95 0.02 . 1 . . . . . . . . 5185 1 
      1063 . 1 1 86 86 PHE C    C 13 174.19 0.20 . 1 . . . . . . . . 5185 1 
      1064 . 1 1 86 86 PHE CA   C 13  56.44 0.20 . 1 . . . . . . . . 5185 1 
      1065 . 1 1 86 86 PHE CB   C 13  45.58 0.20 . 1 . . . . . . . . 5185 1 
      1066 . 1 1 86 86 PHE CD1  C 13 132.56 0.20 . 1 . . . . . . . . 5185 1 
      1067 . 1 1 86 86 PHE CD2  C 13 132.56 0.20 . 1 . . . . . . . . 5185 1 
      1068 . 1 1 86 86 PHE CE1  C 13 130.41 0.20 . 1 . . . . . . . . 5185 1 
      1069 . 1 1 86 86 PHE CE2  C 13 130.41 0.20 . 1 . . . . . . . . 5185 1 
      1070 . 1 1 86 86 PHE CZ   C 13 131.03 0.20 . 1 . . . . . . . . 5185 1 
      1071 . 1 1 86 86 PHE N    N 15 122.60 0.10 . 1 . . . . . . . . 5185 1 
      1072 . 1 1 87 87 LEU H    H  1   8.97 0.02 . 1 . . . . . . . . 5185 1 
      1073 . 1 1 87 87 LEU HA   H  1   4.88 0.02 . 1 . . . . . . . . 5185 1 
      1074 . 1 1 87 87 LEU HB2  H  1   1.66 0.02 . 1 . . . . . . . . 5185 1 
      1075 . 1 1 87 87 LEU HB3  H  1   1.66 0.02 . 1 . . . . . . . . 5185 1 
      1076 . 1 1 87 87 LEU HG   H  1   1.67 0.02 . 1 . . . . . . . . 5185 1 
      1077 . 1 1 87 87 LEU HD11 H  1   1.00 0.02 . 2 . . . . . . . . 5185 1 
      1078 . 1 1 87 87 LEU HD12 H  1   1.00 0.02 . 2 . . . . . . . . 5185 1 
      1079 . 1 1 87 87 LEU HD13 H  1   1.00 0.02 . 2 . . . . . . . . 5185 1 
      1080 . 1 1 87 87 LEU HD21 H  1   0.95 0.02 . 2 . . . . . . . . 5185 1 
      1081 . 1 1 87 87 LEU HD22 H  1   0.95 0.02 . 2 . . . . . . . . 5185 1 
      1082 . 1 1 87 87 LEU HD23 H  1   0.95 0.02 . 2 . . . . . . . . 5185 1 
      1083 . 1 1 87 87 LEU C    C 13 176.81 0.20 . 1 . . . . . . . . 5185 1 
      1084 . 1 1 87 87 LEU CA   C 13  54.92 0.20 . 1 . . . . . . . . 5185 1 
      1085 . 1 1 87 87 LEU CB   C 13  43.95 0.20 . 1 . . . . . . . . 5185 1 
      1086 . 1 1 87 87 LEU CG   C 13  27.00 0.20 . 1 . . . . . . . . 5185 1 
      1087 . 1 1 87 87 LEU CD1  C 13  24.73 0.20 . 2 . . . . . . . . 5185 1 
      1088 . 1 1 87 87 LEU CD2  C 13  25.07 0.20 . 2 . . . . . . . . 5185 1 
      1089 . 1 1 87 87 LEU N    N 15 122.97 0.10 . 1 . . . . . . . . 5185 1 
      1090 . 1 1 88 88 GLN H    H  1   9.42 0.02 . 1 . . . . . . . . 5185 1 
      1091 . 1 1 88 88 GLN HA   H  1   4.78 0.02 . 1 . . . . . . . . 5185 1 
      1092 . 1 1 88 88 GLN HB2  H  1   2.17 0.02 . 2 . . . . . . . . 5185 1 
      1093 . 1 1 88 88 GLN HB3  H  1   2.01 0.02 . 2 . . . . . . . . 5185 1 
      1094 . 1 1 88 88 GLN HG2  H  1   2.36 0.02 . 2 . . . . . . . . 5185 1 
      1095 . 1 1 88 88 GLN HG3  H  1   2.18 0.02 . 2 . . . . . . . . 5185 1 
      1096 . 1 1 88 88 GLN HE21 H  1   7.54 0.02 . 1 . . . . . . . . 5185 1 
      1097 . 1 1 88 88 GLN HE22 H  1   6.82 0.02 . 1 . . . . . . . . 5185 1 
      1098 . 1 1 88 88 GLN C    C 13 173.88 0.20 . 1 . . . . . . . . 5185 1 
      1099 . 1 1 88 88 GLN CA   C 13  54.35 0.20 . 1 . . . . . . . . 5185 1 
      1100 . 1 1 88 88 GLN CB   C 13  32.58 0.20 . 1 . . . . . . . . 5185 1 
      1101 . 1 1 88 88 GLN CG   C 13  34.73 0.20 . 1 . . . . . . . . 5185 1 
      1102 . 1 1 88 88 GLN N    N 15 122.58 0.10 . 1 . . . . . . . . 5185 1 
      1103 . 1 1 88 88 GLN NE2  N 15 110.95 0.10 . 1 . . . . . . . . 5185 1 
      1104 . 1 1 89 89 HIS H    H  1   8.48 0.02 . 1 . . . . . . . . 5185 1 
      1105 . 1 1 89 89 HIS HA   H  1   5.23 0.02 . 1 . . . . . . . . 5185 1 
      1106 . 1 1 89 89 HIS HB2  H  1   3.05 0.02 . 1 . . . . . . . . 5185 1 
      1107 . 1 1 89 89 HIS HB3  H  1   2.92 0.02 . 1 . . . . . . . . 5185 1 
      1108 . 1 1 89 89 HIS C    C 13 174.29 0.20 . 1 . . . . . . . . 5185 1 
      1109 . 1 1 89 89 HIS CA   C 13  52.52 0.20 . 1 . . . . . . . . 5185 1 
      1110 . 1 1 89 89 HIS CB   C 13  33.68 0.20 . 1 . . . . . . . . 5185 1 
      1111 . 1 1 89 89 HIS N    N 15 120.68 0.10 . 1 . . . . . . . . 5185 1 
      1112 . 1 1 90 90 ASN H    H  1   8.64 0.02 . 1 . . . . . . . . 5185 1 
      1113 . 1 1 90 90 ASN HA   H  1   4.81 0.02 . 1 . . . . . . . . 5185 1 
      1114 . 1 1 90 90 ASN HB2  H  1   2.90 0.02 . 2 . . . . . . . . 5185 1 
      1115 . 1 1 90 90 ASN HB3  H  1   2.29 0.02 . 2 . . . . . . . . 5185 1 
      1116 . 1 1 90 90 ASN HD21 H  1   7.64 0.02 . 1 . . . . . . . . 5185 1 
      1117 . 1 1 90 90 ASN HD22 H  1   6.58 0.02 . 1 . . . . . . . . 5185 1 
      1118 . 1 1 90 90 ASN C    C 13 174.88 0.20 . 1 . . . . . . . . 5185 1 
      1119 . 1 1 90 90 ASN CA   C 13  53.96 0.20 . 1 . . . . . . . . 5185 1 
      1120 . 1 1 90 90 ASN CB   C 13  40.38 0.20 . 1 . . . . . . . . 5185 1 
      1121 . 1 1 90 90 ASN N    N 15 119.09 0.10 . 1 . . . . . . . . 5185 1 
      1122 . 1 1 90 90 ASN ND2  N 15 109.72 0.10 . 1 . . . . . . . . 5185 1 
      1123 . 1 1 91 91 LYS H    H  1   7.59 0.02 . 1 . . . . . . . . 5185 1 
      1124 . 1 1 91 91 LYS HA   H  1   4.45 0.02 . 1 . . . . . . . . 5185 1 
      1125 . 1 1 91 91 LYS HB2  H  1   1.80 0.02 . 2 . . . . . . . . 5185 1 
      1126 . 1 1 91 91 LYS HB3  H  1   1.70 0.02 . 2 . . . . . . . . 5185 1 
      1127 . 1 1 91 91 LYS HG2  H  1   1.42 0.02 . 1 . . . . . . . . 5185 1 
      1128 . 1 1 91 91 LYS HG3  H  1   1.42 0.02 . 1 . . . . . . . . 5185 1 
      1129 . 1 1 91 91 LYS HD2  H  1   1.72 0.02 . 2 . . . . . . . . 5185 1 
      1130 . 1 1 91 91 LYS HD3  H  1   1.63 0.02 . 2 . . . . . . . . 5185 1 
      1131 . 1 1 91 91 LYS HE2  H  1   3.01 0.02 . 1 . . . . . . . . 5185 1 
      1132 . 1 1 91 91 LYS HE3  H  1   3.01 0.02 . 1 . . . . . . . . 5185 1 
      1133 . 1 1 91 91 LYS C    C 13 175.30 0.20 . 1 . . . . . . . . 5185 1 
      1134 . 1 1 91 91 LYS CA   C 13  56.16 0.20 . 1 . . . . . . . . 5185 1 
      1135 . 1 1 91 91 LYS CB   C 13  37.41 0.20 . 1 . . . . . . . . 5185 1 
      1136 . 1 1 91 91 LYS CG   C 13  25.71 0.20 . 1 . . . . . . . . 5185 1 
      1137 . 1 1 91 91 LYS CD   C 13  29.32 0.20 . 1 . . . . . . . . 5185 1 
      1138 . 1 1 91 91 LYS CE   C 13  41.73 0.20 . 1 . . . . . . . . 5185 1 
      1139 . 1 1 91 91 LYS N    N 15 117.61 0.10 . 1 . . . . . . . . 5185 1 
      1140 . 1 1 92 92 CYS H    H  1   8.83 0.02 . 1 . . . . . . . . 5185 1 
      1141 . 1 1 92 92 CYS HA   H  1   5.57 0.02 . 1 . . . . . . . . 5185 1 
      1142 . 1 1 92 92 CYS HB2  H  1   2.88 0.02 . 1 . . . . . . . . 5185 1 
      1143 . 1 1 92 92 CYS HB3  H  1   2.39 0.02 . 1 . . . . . . . . 5185 1 
      1144 . 1 1 92 92 CYS C    C 13 173.25 0.20 . 1 . . . . . . . . 5185 1 
      1145 . 1 1 92 92 CYS CA   C 13  54.13 0.20 . 1 . . . . . . . . 5185 1 
      1146 . 1 1 92 92 CYS CB   C 13  48.37 0.20 . 1 . . . . . . . . 5185 1 
      1147 . 1 1 92 92 CYS N    N 15 121.53 0.10 . 1 . . . . . . . . 5185 1 
      1148 . 1 1 93 93 GLU H    H  1   9.39 0.02 . 1 . . . . . . . . 5185 1 
      1149 . 1 1 93 93 GLU HA   H  1   4.62 0.02 . 1 . . . . . . . . 5185 1 
      1150 . 1 1 93 93 GLU HB2  H  1   2.00 0.02 . 2 . . . . . . . . 5185 1 
      1151 . 1 1 93 93 GLU HB3  H  1   1.86 0.02 . 2 . . . . . . . . 5185 1 
      1152 . 1 1 93 93 GLU HG2  H  1   2.24 0.02 . 2 . . . . . . . . 5185 1 
      1153 . 1 1 93 93 GLU HG3  H  1   2.16 0.02 . 2 . . . . . . . . 5185 1 
      1154 . 1 1 93 93 GLU C    C 13 173.60 0.20 . 1 . . . . . . . . 5185 1 
      1155 . 1 1 93 93 GLU CA   C 13  55.11 0.20 . 1 . . . . . . . . 5185 1 
      1156 . 1 1 93 93 GLU CB   C 13  34.62 0.20 . 1 . . . . . . . . 5185 1 
      1157 . 1 1 93 93 GLU CG   C 13  36.38 0.20 . 1 . . . . . . . . 5185 1 
      1158 . 1 1 93 93 GLU N    N 15 121.41 0.10 . 1 . . . . . . . . 5185 1 
      1159 . 1 1 94 94 CYS H    H  1   8.21 0.02 . 1 . . . . . . . . 5185 1 
      1160 . 1 1 94 94 CYS HA   H  1   5.31 0.02 . 1 . . . . . . . . 5185 1 
      1161 . 1 1 94 94 CYS HB2  H  1   3.10 0.02 . 1 . . . . . . . . 5185 1 
      1162 . 1 1 94 94 CYS HB3  H  1   2.71 0.02 . 1 . . . . . . . . 5185 1 
      1163 . 1 1 94 94 CYS C    C 13 174.09 0.20 . 1 . . . . . . . . 5185 1 
      1164 . 1 1 94 94 CYS CA   C 13  57.21 0.20 . 1 . . . . . . . . 5185 1 
      1165 . 1 1 94 94 CYS CB   C 13  46.07 0.20 . 1 . . . . . . . . 5185 1 
      1166 . 1 1 94 94 CYS N    N 15 120.40 0.10 . 1 . . . . . . . . 5185 1 
      1167 . 1 1 95 95 ARG H    H  1   9.18 0.02 . 1 . . . . . . . . 5185 1 
      1168 . 1 1 95 95 ARG HA   H  1   5.00 0.02 . 1 . . . . . . . . 5185 1 
      1169 . 1 1 95 95 ARG HB2  H  1   1.89 0.02 . 2 . . . . . . . . 5185 1 
      1170 . 1 1 95 95 ARG HB3  H  1   1.75 0.02 . 2 . . . . . . . . 5185 1 
      1171 . 1 1 95 95 ARG HG2  H  1   1.65 0.02 . 1 . . . . . . . . 5185 1 
      1172 . 1 1 95 95 ARG HG3  H  1   1.65 0.02 . 1 . . . . . . . . 5185 1 
      1173 . 1 1 95 95 ARG HD2  H  1   3.21 0.02 . 2 . . . . . . . . 5185 1 
      1174 . 1 1 95 95 ARG HD3  H  1   3.15 0.02 . 2 . . . . . . . . 5185 1 
      1175 . 1 1 95 95 ARG C    C 13 173.49 0.20 . 1 . . . . . . . . 5185 1 
      1176 . 1 1 95 95 ARG CA   C 13  52.83 0.20 . 1 . . . . . . . . 5185 1 
      1177 . 1 1 95 95 ARG CB   C 13  32.82 0.20 . 1 . . . . . . . . 5185 1 
      1178 . 1 1 95 95 ARG CG   C 13  26.91 0.20 . 1 . . . . . . . . 5185 1 
      1179 . 1 1 95 95 ARG CD   C 13  42.98 0.20 . 1 . . . . . . . . 5185 1 
      1180 . 1 1 95 95 ARG N    N 15 123.89 0.10 . 1 . . . . . . . . 5185 1 
      1181 . 1 1 96 96 PRO HA   H  1   4.63 0.02 . 1 . . . . . . . . 5185 1 
      1182 . 1 1 96 96 PRO HB2  H  1   2.36 0.02 . 2 . . . . . . . . 5185 1 
      1183 . 1 1 96 96 PRO HB3  H  1   1.91 0.02 . 2 . . . . . . . . 5185 1 
      1184 . 1 1 96 96 PRO HG2  H  1   2.18 0.02 . 2 . . . . . . . . 5185 1 
      1185 . 1 1 96 96 PRO HG3  H  1   1.93 0.02 . 2 . . . . . . . . 5185 1 
      1186 . 1 1 96 96 PRO HD2  H  1   3.81 0.02 . 2 . . . . . . . . 5185 1 
      1187 . 1 1 96 96 PRO HD3  H  1   3.66 0.02 . 2 . . . . . . . . 5185 1 
      1188 . 1 1 96 96 PRO C    C 13 177.04 0.20 . 1 . . . . . . . . 5185 1 
      1189 . 1 1 96 96 PRO CA   C 13  63.67 0.20 . 1 . . . . . . . . 5185 1 
      1190 . 1 1 96 96 PRO CB   C 13  31.95 0.20 . 1 . . . . . . . . 5185 1 
      1191 . 1 1 96 96 PRO CG   C 13  27.81 0.20 . 1 . . . . . . . . 5185 1 
      1192 . 1 1 96 96 PRO CD   C 13  50.71 0.20 . 1 . . . . . . . . 5185 1 
      1193 . 1 1 97 97 LYS H    H  1   8.14 0.02 . 1 . . . . . . . . 5185 1 
      1194 . 1 1 97 97 LYS HA   H  1   4.14 0.02 . 1 . . . . . . . . 5185 1 
      1195 . 1 1 97 97 LYS HB2  H  1   1.84 0.02 . 2 . . . . . . . . 5185 1 
      1196 . 1 1 97 97 LYS HB3  H  1   1.63 0.02 . 2 . . . . . . . . 5185 1 
      1197 . 1 1 97 97 LYS HG2  H  1   1.37 0.02 . 2 . . . . . . . . 5185 1 
      1198 . 1 1 97 97 LYS HG3  H  1   1.32 0.02 . 2 . . . . . . . . 5185 1 
      1199 . 1 1 97 97 LYS HD2  H  1   1.69 0.02 . 1 . . . . . . . . 5185 1 
      1200 . 1 1 97 97 LYS HD3  H  1   1.69 0.02 . 1 . . . . . . . . 5185 1 
      1201 . 1 1 97 97 LYS HE2  H  1   2.99 0.02 . 1 . . . . . . . . 5185 1 
      1202 . 1 1 97 97 LYS HE3  H  1   2.99 0.02 . 1 . . . . . . . . 5185 1 
      1203 . 1 1 97 97 LYS C    C 13 176.36 0.20 . 1 . . . . . . . . 5185 1 
      1204 . 1 1 97 97 LYS CA   C 13  57.11 0.20 . 1 . . . . . . . . 5185 1 
      1205 . 1 1 97 97 LYS CB   C 13  33.55 0.20 . 1 . . . . . . . . 5185 1 
      1206 . 1 1 97 97 LYS CG   C 13  25.68 0.20 . 1 . . . . . . . . 5185 1 
      1207 . 1 1 97 97 LYS CD   C 13  29.36 0.20 . 1 . . . . . . . . 5185 1 
      1208 . 1 1 97 97 LYS CE   C 13  41.91 0.20 . 1 . . . . . . . . 5185 1 
      1209 . 1 1 97 97 LYS N    N 15 123.92 0.10 . 1 . . . . . . . . 5185 1 
      1210 . 1 1 98 98 LYS H    H  1   8.39 0.02 . 1 . . . . . . . . 5185 1 
      1211 . 1 1 98 98 LYS HA   H  1   4.39 0.02 . 1 . . . . . . . . 5185 1 
      1212 . 1 1 98 98 LYS HB2  H  1   1.90 0.02 . 2 . . . . . . . . 5185 1 
      1213 . 1 1 98 98 LYS HB3  H  1   1.79 0.02 . 2 . . . . . . . . 5185 1 
      1214 . 1 1 98 98 LYS HG2  H  1   1.53 0.02 . 2 . . . . . . . . 5185 1 
      1215 . 1 1 98 98 LYS HG3  H  1   1.48 0.02 . 2 . . . . . . . . 5185 1 
      1216 . 1 1 98 98 LYS HD2  H  1   1.73 0.02 . 1 . . . . . . . . 5185 1 
      1217 . 1 1 98 98 LYS HD3  H  1   1.73 0.02 . 1 . . . . . . . . 5185 1 
      1218 . 1 1 98 98 LYS HE2  H  1   3.06 0.02 . 1 . . . . . . . . 5185 1 
      1219 . 1 1 98 98 LYS HE3  H  1   3.06 0.02 . 1 . . . . . . . . 5185 1 
      1220 . 1 1 98 98 LYS C    C 13 175.16 0.20 . 1 . . . . . . . . 5185 1 
      1221 . 1 1 98 98 LYS CA   C 13  56.23 0.20 . 1 . . . . . . . . 5185 1 
      1222 . 1 1 98 98 LYS CB   C 13  33.26 0.20 . 1 . . . . . . . . 5185 1 
      1223 . 1 1 98 98 LYS CG   C 13  24.73 0.20 . 1 . . . . . . . . 5185 1 
      1224 . 1 1 98 98 LYS CD   C 13  28.99 0.20 . 1 . . . . . . . . 5185 1 
      1225 . 1 1 98 98 LYS CE   C 13  42.12 0.20 . 1 . . . . . . . . 5185 1 
      1226 . 1 1 98 98 LYS N    N 15 123.20 0.10 . 1 . . . . . . . . 5185 1 
      1227 . 1 1 99 99 ASP H    H  1   7.83 0.02 . 1 . . . . . . . . 5185 1 
      1228 . 1 1 99 99 ASP HA   H  1   4.39 0.02 . 1 . . . . . . . . 5185 1 
      1229 . 1 1 99 99 ASP HB2  H  1   2.69 0.02 . 2 . . . . . . . . 5185 1 
      1230 . 1 1 99 99 ASP HB3  H  1   2.58 0.02 . 2 . . . . . . . . 5185 1 
      1231 . 1 1 99 99 ASP C    C 13 180.72 0.20 . 1 . . . . . . . . 5185 1 
      1232 . 1 1 99 99 ASP CA   C 13  55.90 0.20 . 1 . . . . . . . . 5185 1 
      1233 . 1 1 99 99 ASP CB   C 13  42.45 0.20 . 1 . . . . . . . . 5185 1 
      1234 . 1 1 99 99 ASP N    N 15 127.09 0.10 . 1 . . . . . . . . 5185 1 

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