data_5722

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

save_entry_information
   _Entry.Sf_category                    entry_information
   _Entry.Sf_framecode                   entry_information
   _Entry.ID                             5722
   _Entry.Title                         
;
Chemical Shift Assignmens of Ca2+/C-terminal Domain of Caltractin (1H, 13C, and 
15N) in Complex with the Cdc31p-Binding Domain from Kar1p (1H)
;
   _Entry.Type                           .
   _Entry.Version_type                   original
   _Entry.Submission_date                2003-03-10
   _Entry.Accession_date                 2003-03-10
   _Entry.Last_release_date              2003-06-25
   _Entry.Original_release_date          2003-06-25
   _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 Haitao Hu     . .  . 5722 
      2 Walter Chazin . J. . 5722 

   stop_

   loop_
      _Data_set.Type
      _Data_set.Count
      _Data_set.Entry_ID

      assigned_chemical_shifts 2 5722 

   stop_

   loop_
      _Datum.Type
      _Datum.Count
      _Datum.Entry_ID

      '1H chemical shifts'  686 5722 
      '13C chemical shifts' 317 5722 
      '15N chemical shifts'  79 5722 

   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 . . 2003-06-25 2003-03-10 original author . 5722 

   stop_

save_


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

save_entry_citation
   _Citation.Sf_category                  citations
   _Citation.Sf_framecode                 entry_citation
   _Citation.Entry_ID                     5722
   _Citation.ID                           1
   _Citation.Class                       'entry citation'
   _Citation.CAS_abstract_code            .
   _Citation.MEDLINE_UI_code              22727205
   _Citation.DOI                          .
   _Citation.PubMed_ID                    12842464
   _Citation.Full_citation                .
   _Citation.Title                       
;
Unique Features in the C-terminal Domain Provide Caltractin with Target 
Specificity
;
   _Citation.Status                       published
   _Citation.Type                         journal
   _Citation.Journal_abbrev              'J. Mol. Biol.'
   _Citation.Journal_name_full            .
   _Citation.Journal_volume               330
   _Citation.Journal_issue                3
   _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                   473
   _Citation.Page_last                    484
   _Citation.Year                         2003
   _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 Haitao Hu     . .  . 5722 1 
      2 Walter Chazin . J. . 5722 1 

   stop_

   loop_
      _Citation_keyword.Keyword
      _Citation_keyword.Entry_ID
      _Citation_keyword.Citation_ID

       caltractin                5722 1 
       centrin                   5722 1 
       kar1p                     5722 1 
      'caltractin/kar1p complex' 5722 1 
      'calcium signaling'        5722 1 

   stop_

save_


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

save_Ca2-CRC-C_-_K19_complex
   _Assembly.Sf_category                       assembly
   _Assembly.Sf_framecode                      Ca2-CRC-C_-_K19_complex
   _Assembly.Entry_ID                          5722
   _Assembly.ID                                1
   _Assembly.Name                             'complex between Ca2+/C-terminal domain of caltractin and 19-resiude peptide from Kar1p'
   _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                      'not present'
   _Assembly.Molecular_mass                    .
   _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

      monomeric 5722 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 'C-terminal domain of caltractin' 1 $CRC-C . . . native . . . . . 5722 1 
      2 '19-residue Kar1p peptide'        2 $K19   . . . native . . . . . 5722 1 
      3 'CALCIUM (II) ION'                3 $CA    . . . native . . . . . 5722 1 

   stop_

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

      'complex between Ca2+/C-terminal domain of caltractin and 19-resiude peptide from Kar1p' system       5722 1 
      'Ca2+/CRC-C - K19 complex'                                                               abbreviation 5722 1 

   stop_

save_


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

save_CRC-C
   _Entity.Sf_category                       entity
   _Entity.Sf_framecode                      CRC-C
   _Entity.Entry_ID                          5722
   _Entity.ID                                1
   _Entity.BMRB_code                         .
   _Entity.Name                             'C-terminal domain of caltractin'
   _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      
;
GSGERDSREEILKAFRLFDD
DNSGTITIKDLRRVAKELGE
NLTEEELQEMIAEADRNDDN
EIDEDEFIRIMKKTSLF
;
   _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                77
   _Entity.Number_of_nonpolymer_components   .
   _Entity.Paramagnetic                      .
   _Entity.Thiol_state                      'not present'
   _Entity.Src_method                        .
   _Entity.Parent_entity_ID                  1
   _Entity.Fragment                          .
   _Entity.Mutation                          .
   _Entity.EC_number                         .
   _Entity.Calc_isoelectric_point            .
   _Entity.Formula_weight                    8966
   _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  1OQP      . "Structure Of The Ca2+C-Terminal Domain Of Caltractin In Complex With The Cdc31p-Binding Domain From Kar1p" . . . . . 100.00  19 100.00 100.00 8.67e-03 . . . . 5722 1 
       2 no DBJ  GAA25914  . "K7_Kar1p [Saccharomyces cerevisiae Kyokai no. 7]"                                                          . . . . . 100.00 433 100.00 100.00 5.51e-03 . . . . 5722 1 
       3 no EMBL CAA96082  . "KAR1 [Saccharomyces cerevisiae]"                                                                           . . . . . 100.00 433 100.00 100.00 5.30e-03 . . . . 5722 1 
       4 no EMBL CAY82415  . "Kar1p [Saccharomyces cerevisiae EC1118]"                                                                   . . . . . 100.00 433 100.00 100.00 5.10e-03 . . . . 5722 1 
       5 no GB   AAA34716  . "KAR1 [Saccharomyces cerevisiae]"                                                                           . . . . . 100.00 433 100.00 100.00 5.30e-03 . . . . 5722 1 
       6 no GB   AAT92901  . "YNL188W [Saccharomyces cerevisiae]"                                                                        . . . . . 100.00 433 100.00 100.00 5.41e-03 . . . . 5722 1 
       7 no GB   AHY76913  . "Kar1p [Saccharomyces cerevisiae YJM993]"                                                                   . . . . . 100.00 433 100.00 100.00 5.30e-03 . . . . 5722 1 
       8 no GB   EDN62631  . "karyogamy protein [Saccharomyces cerevisiae YJM789]"                                                       . . . . . 100.00 433 100.00 100.00 5.30e-03 . . . . 5722 1 
       9 no GB   EDV12432  . "cell division control protein KAR1 [Saccharomyces cerevisiae RM11-1a]"                                     . . . . . 100.00 433 100.00 100.00 5.30e-03 . . . . 5722 1 
      10 no REF  NP_014211 . "Kar1p [Saccharomyces cerevisiae S288c]"                                                                    . . . . . 100.00 433 100.00 100.00 5.30e-03 . . . . 5722 1 
      11 no SP   P11927    . "RecName: Full=Cell division control protein KAR1 [Saccharomyces cerevisiae S288c]"                         . . . . . 100.00 433 100.00 100.00 5.30e-03 . . . . 5722 1 
      12 no TPG  DAA10365  . "TPA: Kar1p [Saccharomyces cerevisiae S288c]"                                                               . . . . . 100.00 433 100.00 100.00 5.30e-03 . . . . 5722 1 

   stop_

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

      'C-terminal domain of caltractin' common       5722 1 
       CRC-C                            abbreviation 5722 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  -2 GLY . 5722 1 
       2  -1 SER . 5722 1 
       3  95 GLY . 5722 1 
       4  96 GLU . 5722 1 
       5  97 ARG . 5722 1 
       6  98 ASP . 5722 1 
       7  99 SER . 5722 1 
       8 100 ARG . 5722 1 
       9 101 GLU . 5722 1 
      10 102 GLU . 5722 1 
      11 103 ILE . 5722 1 
      12 104 LEU . 5722 1 
      13 105 LYS . 5722 1 
      14 106 ALA . 5722 1 
      15 107 PHE . 5722 1 
      16 108 ARG . 5722 1 
      17 109 LEU . 5722 1 
      18 110 PHE . 5722 1 
      19 111 ASP . 5722 1 
      20 112 ASP . 5722 1 
      21 113 ASP . 5722 1 
      22 114 ASN . 5722 1 
      23 115 SER . 5722 1 
      24 116 GLY . 5722 1 
      25 117 THR . 5722 1 
      26 118 ILE . 5722 1 
      27 119 THR . 5722 1 
      28 120 ILE . 5722 1 
      29 121 LYS . 5722 1 
      30 122 ASP . 5722 1 
      31 123 LEU . 5722 1 
      32 124 ARG . 5722 1 
      33 125 ARG . 5722 1 
      34 126 VAL . 5722 1 
      35 127 ALA . 5722 1 
      36 128 LYS . 5722 1 
      37 129 GLU . 5722 1 
      38 130 LEU . 5722 1 
      39 131 GLY . 5722 1 
      40 132 GLU . 5722 1 
      41 133 ASN . 5722 1 
      42 134 LEU . 5722 1 
      43 135 THR . 5722 1 
      44 136 GLU . 5722 1 
      45 137 GLU . 5722 1 
      46 138 GLU . 5722 1 
      47 139 LEU . 5722 1 
      48 140 GLN . 5722 1 
      49 141 GLU . 5722 1 
      50 142 MET . 5722 1 
      51 143 ILE . 5722 1 
      52 144 ALA . 5722 1 
      53 145 GLU . 5722 1 
      54 146 ALA . 5722 1 
      55 147 ASP . 5722 1 
      56 148 ARG . 5722 1 
      57 149 ASN . 5722 1 
      58 150 ASP . 5722 1 
      59 151 ASP . 5722 1 
      60 152 ASN . 5722 1 
      61 153 GLU . 5722 1 
      62 154 ILE . 5722 1 
      63 155 ASP . 5722 1 
      64 156 GLU . 5722 1 
      65 157 ASP . 5722 1 
      66 158 GLU . 5722 1 
      67 159 PHE . 5722 1 
      68 160 ILE . 5722 1 
      69 161 ARG . 5722 1 
      70 162 ILE . 5722 1 
      71 163 MET . 5722 1 
      72 164 LYS . 5722 1 
      73 165 LYS . 5722 1 
      74 166 THR . 5722 1 
      75 167 SER . 5722 1 
      76 168 LEU . 5722 1 
      77 169 PHE . 5722 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

      . GLY  1  1 5722 1 
      . SER  2  2 5722 1 
      . GLY  3  3 5722 1 
      . GLU  4  4 5722 1 
      . ARG  5  5 5722 1 
      . ASP  6  6 5722 1 
      . SER  7  7 5722 1 
      . ARG  8  8 5722 1 
      . GLU  9  9 5722 1 
      . GLU 10 10 5722 1 
      . ILE 11 11 5722 1 
      . LEU 12 12 5722 1 
      . LYS 13 13 5722 1 
      . ALA 14 14 5722 1 
      . PHE 15 15 5722 1 
      . ARG 16 16 5722 1 
      . LEU 17 17 5722 1 
      . PHE 18 18 5722 1 
      . ASP 19 19 5722 1 
      . ASP 20 20 5722 1 
      . ASP 21 21 5722 1 
      . ASN 22 22 5722 1 
      . SER 23 23 5722 1 
      . GLY 24 24 5722 1 
      . THR 25 25 5722 1 
      . ILE 26 26 5722 1 
      . THR 27 27 5722 1 
      . ILE 28 28 5722 1 
      . LYS 29 29 5722 1 
      . ASP 30 30 5722 1 
      . LEU 31 31 5722 1 
      . ARG 32 32 5722 1 
      . ARG 33 33 5722 1 
      . VAL 34 34 5722 1 
      . ALA 35 35 5722 1 
      . LYS 36 36 5722 1 
      . GLU 37 37 5722 1 
      . LEU 38 38 5722 1 
      . GLY 39 39 5722 1 
      . GLU 40 40 5722 1 
      . ASN 41 41 5722 1 
      . LEU 42 42 5722 1 
      . THR 43 43 5722 1 
      . GLU 44 44 5722 1 
      . GLU 45 45 5722 1 
      . GLU 46 46 5722 1 
      . LEU 47 47 5722 1 
      . GLN 48 48 5722 1 
      . GLU 49 49 5722 1 
      . MET 50 50 5722 1 
      . ILE 51 51 5722 1 
      . ALA 52 52 5722 1 
      . GLU 53 53 5722 1 
      . ALA 54 54 5722 1 
      . ASP 55 55 5722 1 
      . ARG 56 56 5722 1 
      . ASN 57 57 5722 1 
      . ASP 58 58 5722 1 
      . ASP 59 59 5722 1 
      . ASN 60 60 5722 1 
      . GLU 61 61 5722 1 
      . ILE 62 62 5722 1 
      . ASP 63 63 5722 1 
      . GLU 64 64 5722 1 
      . ASP 65 65 5722 1 
      . GLU 66 66 5722 1 
      . PHE 67 67 5722 1 
      . ILE 68 68 5722 1 
      . ARG 69 69 5722 1 
      . ILE 70 70 5722 1 
      . MET 71 71 5722 1 
      . LYS 72 72 5722 1 
      . LYS 73 73 5722 1 
      . THR 74 74 5722 1 
      . SER 75 75 5722 1 
      . LEU 76 76 5722 1 
      . PHE 77 77 5722 1 

   stop_

save_


save_K19
   _Entity.Sf_category                       entity
   _Entity.Sf_framecode                      K19
   _Entity.Entry_ID                          5722
   _Entity.ID                                2
   _Entity.BMRB_code                         .
   _Entity.Name                             '19-residue cdc31p-binding domain from Kar1p'
   _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       KKRELIESKWHRLLFHDKK
   _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                      'not present'
   _Entity.Src_method                        .
   _Entity.Parent_entity_ID                  2
   _Entity.Fragment                          .
   _Entity.Mutation                          .
   _Entity.EC_number                         .
   _Entity.Calc_isoelectric_point            .
   _Entity.Formula_weight                    2492
   _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

      . . REF        NP_014211 . 'Essential protein involved in karyogamy during mating and in spindle pole body duplication during mitosis, localizes to the half-bridge of the spindle pole body, interacts with Spc72p during karyogamy, also interacts with Cdc31p; Kar1p [Saccharomyces cerevisiae]' . . . . . 100.00 433 100.00 100.00 1.43e-02 . . . . 5722 2 
      . . SWISS-PROT P11927    . 'Cell division control protein KAR1'                                                                                                                                                                                                                                     . . . . . 100.00 433 100.00 100.00 1.43e-02 . . . . 5722 2 
      . . GenBank    EDN62631  . 'karyogamy protein [Saccharomyces cerevisiae YJM789]'                                                                                                                                                                                                                    . . . . . 100.00 433 100.00 100.00 1.43e-02 . . . . 5722 2 
      . . GenBank    EDV12432  . 'cell division control protein KAR1 [Saccharomyces cerevisiae RM11-1a]'                                                                                                                                                                                                  . . . . . 100.00 433 100.00 100.00 1.43e-02 . . . . 5722 2 
      . . GenBank    AAA34716  .  KAR1                                                                                                                                                                                                                                                                    . . . . . 100.00 433 100.00 100.00 1.43e-02 . . . . 5722 2 
      . . GenBank    AAT92901  . 'YNL188W [Saccharomyces cerevisiae]'                                                                                                                                                                                                                                     . . . . . 100.00 433 100.00 100.00 1.46e-02 . . . . 5722 2 
      . . PDB        1OQP      . 'Structure Of The Ca2+C-Terminal Domain Of Caltractin In Complex With The Cdc31p-Binding Domain From Kar1p'                                                                                                                                                              . . . . . 100.00  19 100.00 100.00 1.47e-01 . . . . 5722 2 
      . . EMBL       CAA96082  . 'KAR1 [Saccharomyces cerevisiae]'                                                                                                                                                                                                                                        . . . . . 100.00 433 100.00 100.00 1.43e-02 . . . . 5722 2 

   stop_

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

      '19-residue cdc31p-binding domain from Kar1p' common       5722 2 
       K19                                          abbreviation 5722 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 . LYS . 5722 2 
       2 . LYS . 5722 2 
       3 . ARG . 5722 2 
       4 . GLU . 5722 2 
       5 . LEU . 5722 2 
       6 . ILE . 5722 2 
       7 . GLU . 5722 2 
       8 . SER . 5722 2 
       9 . LYS . 5722 2 
      10 . TRP . 5722 2 
      11 . HIS . 5722 2 
      12 . ARG . 5722 2 
      13 . LEU . 5722 2 
      14 . LEU . 5722 2 
      15 . PHE . 5722 2 
      16 . HIS . 5722 2 
      17 . ASP . 5722 2 
      18 . LYS . 5722 2 
      19 . LYS . 5722 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

      . LYS  1  1 5722 2 
      . LYS  2  2 5722 2 
      . ARG  3  3 5722 2 
      . GLU  4  4 5722 2 
      . LEU  5  5 5722 2 
      . ILE  6  6 5722 2 
      . GLU  7  7 5722 2 
      . SER  8  8 5722 2 
      . LYS  9  9 5722 2 
      . TRP 10 10 5722 2 
      . HIS 11 11 5722 2 
      . ARG 12 12 5722 2 
      . LEU 13 13 5722 2 
      . LEU 14 14 5722 2 
      . PHE 15 15 5722 2 
      . HIS 16 16 5722 2 
      . ASP 17 17 5722 2 
      . LYS 18 18 5722 2 
      . LYS 19 19 5722 2 

   stop_

save_


save_CA
   _Entity.Sf_category                       entity
   _Entity.Sf_framecode                      CA
   _Entity.Entry_ID                          5722
   _Entity.ID                                3
   _Entity.BMRB_code                         .
   _Entity.Name                              CA
   _Entity.Type                              non-polymer
   _Entity.Polymer_common_type               .
   _Entity.Polymer_type                      .
   _Entity.Polymer_type_details              .
   _Entity.Polymer_strand_ID                 .
   _Entity.Polymer_seq_one_letter_code_can   .
   _Entity.Polymer_seq_one_letter_code       .
   _Entity.Target_identifier                 .
   _Entity.Polymer_author_defined_seq        .
   _Entity.Polymer_author_seq_details        .
   _Entity.Ambiguous_conformational_states   no
   _Entity.Ambiguous_chem_comp_sites         no
   _Entity.Nstd_monomer                      .
   _Entity.Nstd_chirality                    no
   _Entity.Nstd_linkage                      no
   _Entity.Nonpolymer_comp_ID                CA
   _Entity.Nonpolymer_comp_label            $chem_comp_CA
   _Entity.Number_of_monomers                .
   _Entity.Number_of_nonpolymer_components   .
   _Entity.Paramagnetic                      .
   _Entity.Thiol_state                       .
   _Entity.Src_method                        .
   _Entity.Parent_entity_ID                  3
   _Entity.Fragment                          .
   _Entity.Mutation                          .
   _Entity.EC_number                         .
   _Entity.Calc_isoelectric_point            .
   _Entity.Formula_weight                    .
   _Entity.Formula_weight_exptl              .
   _Entity.Formula_weight_exptl_meth         .
   _Entity.Details                           .
   _Entity.DB_query_date                     .
   _Entity.DB_query_revised_last_date        .

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

      1 . CA . 5722 3 

   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       5722
   _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 $CRC-C . 3055 organism . 'Chlamydomonas reinhardtii' 'green algae' . . Eukaryota .     Chlamydomonas reinhardtii . . . . . . . . . . . . . . . . . . . . . 5722 1 
      2 2 $K19   . 4932 organism . 'Saccharomyces cerevisiae'   yeast        . . Eukaryota Fungi Saccharomyces cerevisiae  . . . . . . . . . . . . . . . . . . . . . 5722 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       5722
   _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 $CRC-C . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli . . . . . . . . . . . . . . . . . . . . . . . 5722 1 
      2 2 $K19   . 'chemical synthesis'      .                  .        . . .           .    . . . . . . . . . . . . . . . . . . . . . . . 5722 1 

   stop_

save_


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

save_chem_comp_CA
   _Chem_comp.Sf_category                       chem_comp
   _Chem_comp.Sf_framecode                      chem_comp_CA
   _Chem_comp.Entry_ID                          5722
   _Chem_comp.ID                                CA
   _Chem_comp.Provenance                        .
   _Chem_comp.Name                             'CALCIUM ION'
   _Chem_comp.Type                              non-polymer
   _Chem_comp.BMRB_code                         .
   _Chem_comp.PDB_code                          CA
   _Chem_comp.Ambiguous_flag                    no
   _Chem_comp.Initial_date                      1999-07-08
   _Chem_comp.Modified_date                     2011-06-04
   _Chem_comp.Release_status                    REL
   _Chem_comp.Replaced_by                       .
   _Chem_comp.Replaces                          .
   _Chem_comp.One_letter_code                   .
   _Chem_comp.Three_letter_code                 CA
   _Chem_comp.Number_atoms_all                  .
   _Chem_comp.Number_atoms_nh                   .
   _Chem_comp.PubChem_code                      .
   _Chem_comp.Subcomponent_list                 .
   _Chem_comp.InChI_code                        .
   _Chem_comp.Mon_nstd_flag                     .
   _Chem_comp.Mon_nstd_class                    .
   _Chem_comp.Mon_nstd_details                  .
   _Chem_comp.Mon_nstd_parent                   .
   _Chem_comp.Mon_nstd_parent_comp_ID           .
   _Chem_comp.Std_deriv_one_letter_code         .
   _Chem_comp.Std_deriv_three_letter_code       .
   _Chem_comp.Std_deriv_BMRB_code               .
   _Chem_comp.Std_deriv_PDB_code                .
   _Chem_comp.Std_deriv_chem_comp_name          .
   _Chem_comp.Synonyms                          .
   _Chem_comp.Formal_charge                     2
   _Chem_comp.Paramagnetic                      .
   _Chem_comp.Aromatic                          no
   _Chem_comp.Formula                           Ca
   _Chem_comp.Formula_weight                    40.078
   _Chem_comp.Formula_mono_iso_wt_nat           .
   _Chem_comp.Formula_mono_iso_wt_13C           .
   _Chem_comp.Formula_mono_iso_wt_15N           .
   _Chem_comp.Formula_mono_iso_wt_13C_15N       .
   _Chem_comp.Image_file_name                   .
   _Chem_comp.Image_file_format                 .
   _Chem_comp.Topo_file_name                    .
   _Chem_comp.Topo_file_format                  .
   _Chem_comp.Struct_file_name                  .
   _Chem_comp.Struct_file_format                .
   _Chem_comp.Stereochem_param_file_name        .
   _Chem_comp.Stereochem_param_file_format      .
   _Chem_comp.Model_details                     .
   _Chem_comp.Model_erf                         .
   _Chem_comp.Model_source                      .
   _Chem_comp.Model_coordinates_details         .
   _Chem_comp.Model_coordinates_missing_flag    no
   _Chem_comp.Ideal_coordinates_details         .
   _Chem_comp.Ideal_coordinates_missing_flag    no
   _Chem_comp.Model_coordinates_db_code         .
   _Chem_comp.Processing_site                   RCSB
   _Chem_comp.Vendor                            .
   _Chem_comp.Vendor_product_code               .
   _Chem_comp.Details                          
;
Information obtained from PDB's Chemical Component Dictionary
at http://wwpdb-remediation.rutgers.edu/downloads.html
Downloaded on Fri Jun 10 15:27:54 2011
;
   _Chem_comp.DB_query_date                     .
   _Chem_comp.DB_last_query_revised_last_date   .

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

      [Ca+2]                      SMILES            ACDLabs                10.04  5722 CA 
      [Ca++]                      SMILES_CANONICAL  CACTVS                  3.341 5722 CA 
      [Ca++]                      SMILES            CACTVS                  3.341 5722 CA 
      [Ca+2]                      SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0     5722 CA 
      [Ca+2]                      SMILES           'OpenEye OEToolkits' 1.5.0     5722 CA 
      InChI=1S/Ca/q+2             InChI             InChI                   1.03  5722 CA 
      BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey          InChI                   1.03  5722 CA 

   stop_

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

       calcium             'SYSTEMATIC NAME'  ACDLabs                10.04 5722 CA 
      'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0    5722 CA 

   stop_

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

      CA . CA . . CA . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 5722 CA 

   stop_

save_


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

save_sample_1
   _Sample.Sf_category                      sample
   _Sample.Sf_framecode                     sample_1
   _Sample.Entry_ID                         5722
   _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 'C-terminal domain of caltractin'             '[U-13C; U-15N]' . . 1 $CRC-C . . 1.0 . . mM . . . . 5722 1 
      2 '19-residue cdc31p-binding domain from Kar1p'  .               . . 2 $K19   . . 1.2 . . mM . . . . 5722 1 

   stop_

save_


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

save_Ex-cond_1
   _Sample_condition_list.Sf_category    sample_conditions
   _Sample_condition_list.Sf_framecode   Ex-cond_1
   _Sample_condition_list.Entry_ID       5722
   _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 5722 1 
      temperature 298   0.1 K   5722 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         5722
   _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         5722
   _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       5722
   _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 . . . 5722 1 
      2 NMR_spectrometer_2 Bruker DRX . 800 . . . 5722 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       5722
   _Experiment_list.ID             1
   _Experiment_list.Details        .

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

      1 . . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5722 1 

   stop_

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       5722
   _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         . . . 1 $entry_citation . . 1 $entry_citation 5722 1 
      N 15 DSS 'methyl protons' . . . . ppm 0.0 .        indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 5722 1 
      C 13 DSS 'methyl protons' . . . . ppm 0.0 .        indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 5722 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                      5722
   _Assigned_chem_shift_list.ID                            1
   _Assigned_chem_shift_list.Sample_condition_list_ID      1
   _Assigned_chem_shift_list.Sample_condition_list_label  $Ex-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 . 5722 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 GLY CA   C 13  43.50 0.40 . 1 . . . . . . . . 5722 1 
        2 . 1 1  1  1 GLY HA2  H  1   3.88 0.03 . 1 . . . . . . . . 5722 1 
        3 . 1 1  1  1 GLY HA3  H  1   3.88 0.03 . 1 . . . . . . . . 5722 1 
        4 . 1 1  2  2 SER C    C 13 175.21 0.40 . 1 . . . . . . . . 5722 1 
        5 . 1 1  2  2 SER CA   C 13  58.62 0.40 . 1 . . . . . . . . 5722 1 
        6 . 1 1  2  2 SER CB   C 13  63.90 0.40 . 1 . . . . . . . . 5722 1 
        7 . 1 1  2  2 SER HA   H  1   4.52 0.03 . 1 . . . . . . . . 5722 1 
        8 . 1 1  2  2 SER HB2  H  1   3.92 0.03 . 2 . . . . . . . . 5722 1 
        9 . 1 1  2  2 SER HB3  H  1   3.89 0.03 . 2 . . . . . . . . 5722 1 
       10 . 1 1  3  3 GLY C    C 13 174.45 0.40 . 1 . . . . . . . . 5722 1 
       11 . 1 1  3  3 GLY CA   C 13  45.49 0.40 . 1 . . . . . . . . 5722 1 
       12 . 1 1  3  3 GLY H    H  1   8.71 0.03 . 1 . . . . . . . . 5722 1 
       13 . 1 1  3  3 GLY HA2  H  1   3.99 0.03 . 1 . . . . . . . . 5722 1 
       14 . 1 1  3  3 GLY HA3  H  1   3.99 0.03 . 1 . . . . . . . . 5722 1 
       15 . 1 1  3  3 GLY N    N 15 112.17 0.20 . 1 . . . . . . . . 5722 1 
       16 . 1 1  4  4 GLU C    C 13 177.02 0.40 . 1 . . . . . . . . 5722 1 
       17 . 1 1  4  4 GLU CA   C 13  56.81 0.40 . 1 . . . . . . . . 5722 1 
       18 . 1 1  4  4 GLU CB   C 13  30.38 0.40 . 1 . . . . . . . . 5722 1 
       19 . 1 1  4  4 GLU CG   C 13  36.48 0.40 . 1 . . . . . . . . 5722 1 
       20 . 1 1  4  4 GLU H    H  1   8.32 0.03 . 1 . . . . . . . . 5722 1 
       21 . 1 1  4  4 GLU HA   H  1   4.29 0.03 . 1 . . . . . . . . 5722 1 
       22 . 1 1  4  4 GLU HB2  H  1   1.98 0.03 . 2 . . . . . . . . 5722 1 
       23 . 1 1  4  4 GLU HB3  H  1   2.07 0.03 . 2 . . . . . . . . 5722 1 
       24 . 1 1  4  4 GLU HG2  H  1   2.26 0.03 . 1 . . . . . . . . 5722 1 
       25 . 1 1  4  4 GLU HG3  H  1   2.26 0.03 . 1 . . . . . . . . 5722 1 
       26 . 1 1  4  4 GLU N    N 15 121.32 0.20 . 1 . . . . . . . . 5722 1 
       27 . 1 1  5  5 ARG C    C 13 176.15 0.40 . 1 . . . . . . . . 5722 1 
       28 . 1 1  5  5 ARG CA   C 13  56.65 0.40 . 1 . . . . . . . . 5722 1 
       29 . 1 1  5  5 ARG CB   C 13  30.72 0.40 . 1 . . . . . . . . 5722 1 
       30 . 1 1  5  5 ARG CD   C 13  43.36 0.40 . 1 . . . . . . . . 5722 1 
       31 . 1 1  5  5 ARG CG   C 13  27.07 0.40 . 1 . . . . . . . . 5722 1 
       32 . 1 1  5  5 ARG H    H  1   8.48 0.03 . 1 . . . . . . . . 5722 1 
       33 . 1 1  5  5 ARG HA   H  1   4.28 0.03 . 1 . . . . . . . . 5722 1 
       34 . 1 1  5  5 ARG HB2  H  1   1.83 0.03 . 1 . . . . . . . . 5722 1 
       35 . 1 1  5  5 ARG HB3  H  1   1.83 0.03 . 1 . . . . . . . . 5722 1 
       36 . 1 1  5  5 ARG HD2  H  1   3.18 0.03 . 1 . . . . . . . . 5722 1 
       37 . 1 1  5  5 ARG HD3  H  1   3.18 0.03 . 1 . . . . . . . . 5722 1 
       38 . 1 1  5  5 ARG HG2  H  1   1.62 0.03 . 1 . . . . . . . . 5722 1 
       39 . 1 1  5  5 ARG HG3  H  1   1.62 0.03 . 1 . . . . . . . . 5722 1 
       40 . 1 1  5  5 ARG N    N 15 122.36 0.20 . 1 . . . . . . . . 5722 1 
       41 . 1 1  6  6 ASP C    C 13 176.84 0.40 . 1 . . . . . . . . 5722 1 
       42 . 1 1  6  6 ASP CA   C 13  54.12 0.40 . 1 . . . . . . . . 5722 1 
       43 . 1 1  6  6 ASP CB   C 13  41.27 0.40 . 1 . . . . . . . . 5722 1 
       44 . 1 1  6  6 ASP H    H  1   8.47 0.03 . 1 . . . . . . . . 5722 1 
       45 . 1 1  6  6 ASP HA   H  1   4.65 0.03 . 1 . . . . . . . . 5722 1 
       46 . 1 1  6  6 ASP HB2  H  1   2.70 0.03 . 2 . . . . . . . . 5722 1 
       47 . 1 1  6  6 ASP HB3  H  1   2.76 0.03 . 2 . . . . . . . . 5722 1 
       48 . 1 1  6  6 ASP N    N 15 121.99 0.20 . 1 . . . . . . . . 5722 1 
       49 . 1 1  7  7 SER C    C 13 175.41 0.40 . 1 . . . . . . . . 5722 1 
       50 . 1 1  7  7 SER CA   C 13  59.42 0.40 . 1 . . . . . . . . 5722 1 
       51 . 1 1  7  7 SER CB   C 13  63.71 0.40 . 1 . . . . . . . . 5722 1 
       52 . 1 1  7  7 SER H    H  1   8.35 0.03 . 1 . . . . . . . . 5722 1 
       53 . 1 1  7  7 SER HA   H  1   4.42 0.03 . 1 . . . . . . . . 5722 1 
       54 . 1 1  7  7 SER HB2  H  1   4.03 0.03 . 2 . . . . . . . . 5722 1 
       55 . 1 1  7  7 SER HB3  H  1   3.98 0.03 . 2 . . . . . . . . 5722 1 
       56 . 1 1  7  7 SER N    N 15 118.41 0.20 . 1 . . . . . . . . 5722 1 
       57 . 1 1  8  8 ARG C    C 13 177.70 0.40 . 1 . . . . . . . . 5722 1 
       58 . 1 1  8  8 ARG CA   C 13  59.82 0.40 . 1 . . . . . . . . 5722 1 
       59 . 1 1  8  8 ARG CB   C 13  30.12 0.40 . 1 . . . . . . . . 5722 1 
       60 . 1 1  8  8 ARG CD   C 13  43.17 0.40 . 1 . . . . . . . . 5722 1 
       61 . 1 1  8  8 ARG CG   C 13  28.02 0.40 . 1 . . . . . . . . 5722 1 
       62 . 1 1  8  8 ARG H    H  1   8.41 0.03 . 1 . . . . . . . . 5722 1 
       63 . 1 1  8  8 ARG HA   H  1   3.86 0.03 . 1 . . . . . . . . 5722 1 
       64 . 1 1  8  8 ARG HB2  H  1   1.88 0.03 . 1 . . . . . . . . 5722 1 
       65 . 1 1  8  8 ARG HB3  H  1   1.88 0.03 . 1 . . . . . . . . 5722 1 
       66 . 1 1  8  8 ARG HD2  H  1   3.18 0.03 . 1 . . . . . . . . 5722 1 
       67 . 1 1  8  8 ARG HD3  H  1   3.18 0.03 . 1 . . . . . . . . 5722 1 
       68 . 1 1  8  8 ARG HG2  H  1   1.53 0.03 . 1 . . . . . . . . 5722 1 
       69 . 1 1  8  8 ARG HG3  H  1   1.53 0.03 . 1 . . . . . . . . 5722 1 
       70 . 1 1  8  8 ARG N    N 15 123.39 0.20 . 1 . . . . . . . . 5722 1 
       71 . 1 1  9  9 GLU C    C 13 179.45 0.40 . 1 . . . . . . . . 5722 1 
       72 . 1 1  9  9 GLU CA   C 13  59.67 0.40 . 1 . . . . . . . . 5722 1 
       73 . 1 1  9  9 GLU CB   C 13  29.27 0.40 . 1 . . . . . . . . 5722 1 
       74 . 1 1  9  9 GLU CG   C 13  36.52 0.40 . 1 . . . . . . . . 5722 1 
       75 . 1 1  9  9 GLU H    H  1   8.34 0.03 . 1 . . . . . . . . 5722 1 
       76 . 1 1  9  9 GLU HA   H  1   3.97 0.03 . 1 . . . . . . . . 5722 1 
       77 . 1 1  9  9 GLU HB2  H  1   2.07 0.03 . 1 . . . . . . . . 5722 1 
       78 . 1 1  9  9 GLU HB3  H  1   2.07 0.03 . 1 . . . . . . . . 5722 1 
       79 . 1 1  9  9 GLU HG2  H  1   2.33 0.03 . 1 . . . . . . . . 5722 1 
       80 . 1 1  9  9 GLU HG3  H  1   2.33 0.03 . 1 . . . . . . . . 5722 1 
       81 . 1 1  9  9 GLU N    N 15 117.90 0.20 . 1 . . . . . . . . 5722 1 
       82 . 1 1 10 10 GLU C    C 13 179.60 0.40 . 1 . . . . . . . . 5722 1 
       83 . 1 1 10 10 GLU CA   C 13  59.39 0.40 . 1 . . . . . . . . 5722 1 
       84 . 1 1 10 10 GLU CB   C 13  29.55 0.40 . 1 . . . . . . . . 5722 1 
       85 . 1 1 10 10 GLU CG   C 13  36.82 0.40 . 1 . . . . . . . . 5722 1 
       86 . 1 1 10 10 GLU H    H  1   7.99 0.03 . 1 . . . . . . . . 5722 1 
       87 . 1 1 10 10 GLU HA   H  1   4.09 0.03 . 1 . . . . . . . . 5722 1 
       88 . 1 1 10 10 GLU HB2  H  1   2.21 0.03 . 1 . . . . . . . . 5722 1 
       89 . 1 1 10 10 GLU HB3  H  1   2.21 0.03 . 1 . . . . . . . . 5722 1 
       90 . 1 1 10 10 GLU HG2  H  1   2.44 0.03 . 1 . . . . . . . . 5722 1 
       91 . 1 1 10 10 GLU HG3  H  1   2.44 0.03 . 1 . . . . . . . . 5722 1 
       92 . 1 1 10 10 GLU N    N 15 119.63 0.20 . 1 . . . . . . . . 5722 1 
       93 . 1 1 11 11 ILE C    C 13 178.59 0.40 . 1 . . . . . . . . 5722 1 
       94 . 1 1 11 11 ILE CA   C 13  65.42 0.40 . 1 . . . . . . . . 5722 1 
       95 . 1 1 11 11 ILE CB   C 13  37.42 0.40 . 1 . . . . . . . . 5722 1 
       96 . 1 1 11 11 ILE CD1  C 13  14.01 0.40 . 1 . . . . . . . . 5722 1 
       97 . 1 1 11 11 ILE CG1  C 13  29.32 0.40 . 1 . . . . . . . . 5722 1 
       98 . 1 1 11 11 ILE CG2  C 13  19.49 0.40 . 1 . . . . . . . . 5722 1 
       99 . 1 1 11 11 ILE H    H  1   8.11 0.03 . 1 . . . . . . . . 5722 1 
      100 . 1 1 11 11 ILE HA   H  1   3.40 0.03 . 1 . . . . . . . . 5722 1 
      101 . 1 1 11 11 ILE HB   H  1   1.81 0.03 . 1 . . . . . . . . 5722 1 
      102 . 1 1 11 11 ILE HD11 H  1   0.66 0.03 . 1 . . . . . . . . 5722 1 
      103 . 1 1 11 11 ILE HD12 H  1   0.66 0.03 . 1 . . . . . . . . 5722 1 
      104 . 1 1 11 11 ILE HD13 H  1   0.66 0.03 . 1 . . . . . . . . 5722 1 
      105 . 1 1 11 11 ILE HG12 H  1   1.51 0.03 . 2 . . . . . . . . 5722 1 
      106 . 1 1 11 11 ILE HG13 H  1   0.27 0.03 . 2 . . . . . . . . 5722 1 
      107 . 1 1 11 11 ILE HG21 H  1   0.84 0.03 . 1 . . . . . . . . 5722 1 
      108 . 1 1 11 11 ILE HG22 H  1   0.84 0.03 . 1 . . . . . . . . 5722 1 
      109 . 1 1 11 11 ILE HG23 H  1   0.84 0.03 . 1 . . . . . . . . 5722 1 
      110 . 1 1 11 11 ILE N    N 15 122.24 0.20 . 1 . . . . . . . . 5722 1 
      111 . 1 1 12 12 LEU C    C 13 179.46 0.40 . 1 . . . . . . . . 5722 1 
      112 . 1 1 12 12 LEU CA   C 13  57.52 0.40 . 1 . . . . . . . . 5722 1 
      113 . 1 1 12 12 LEU CB   C 13  40.72 0.40 . 1 . . . . . . . . 5722 1 
      114 . 1 1 12 12 LEU CD1  C 13  25.14 0.40 . 1 . . . . . . . . 5722 1 
      115 . 1 1 12 12 LEU CD2  C 13  22.12 0.40 . 1 . . . . . . . . 5722 1 
      116 . 1 1 12 12 LEU CG   C 13  26.92 0.40 . 1 . . . . . . . . 5722 1 
      117 . 1 1 12 12 LEU H    H  1   8.37 0.03 . 1 . . . . . . . . 5722 1 
      118 . 1 1 12 12 LEU HA   H  1   4.19 0.03 . 1 . . . . . . . . 5722 1 
      119 . 1 1 12 12 LEU HB2  H  1   1.88 0.03 . 2 . . . . . . . . 5722 1 
      120 . 1 1 12 12 LEU HB3  H  1   1.51 0.03 . 2 . . . . . . . . 5722 1 
      121 . 1 1 12 12 LEU HD11 H  1   0.81 0.03 . 1 . . . . . . . . 5722 1 
      122 . 1 1 12 12 LEU HD12 H  1   0.81 0.03 . 1 . . . . . . . . 5722 1 
      123 . 1 1 12 12 LEU HD13 H  1   0.81 0.03 . 1 . . . . . . . . 5722 1 
      124 . 1 1 12 12 LEU HD21 H  1   0.70 0.03 . 1 . . . . . . . . 5722 1 
      125 . 1 1 12 12 LEU HD22 H  1   0.70 0.03 . 1 . . . . . . . . 5722 1 
      126 . 1 1 12 12 LEU HD23 H  1   0.70 0.03 . 1 . . . . . . . . 5722 1 
      127 . 1 1 12 12 LEU HG   H  1   1.76 0.03 . 1 . . . . . . . . 5722 1 
      128 . 1 1 12 12 LEU N    N 15 120.53 0.20 . 1 . . . . . . . . 5722 1 
      129 . 1 1 13 13 LYS C    C 13 179.47 0.40 . 1 . . . . . . . . 5722 1 
      130 . 1 1 13 13 LYS CA   C 13  60.05 0.40 . 1 . . . . . . . . 5722 1 
      131 . 1 1 13 13 LYS CB   C 13  32.47 0.40 . 1 . . . . . . . . 5722 1 
      132 . 1 1 13 13 LYS CD   C 13  30.02 0.40 . 1 . . . . . . . . 5722 1 
      133 . 1 1 13 13 LYS CE   C 13  41.90 0.40 . 1 . . . . . . . . 5722 1 
      134 . 1 1 13 13 LYS CG   C 13  25.67 0.40 . 1 . . . . . . . . 5722 1 
      135 . 1 1 13 13 LYS H    H  1   7.82 0.03 . 1 . . . . . . . . 5722 1 
      136 . 1 1 13 13 LYS HA   H  1   3.99 0.03 . 1 . . . . . . . . 5722 1 
      137 . 1 1 13 13 LYS HB2  H  1   2.00 0.03 . 2 . . . . . . . . 5722 1 
      138 . 1 1 13 13 LYS HB3  H  1   1.93 0.03 . 2 . . . . . . . . 5722 1 
      139 . 1 1 13 13 LYS HD2  H  1   1.73 0.03 . 1 . . . . . . . . 5722 1 
      140 . 1 1 13 13 LYS HD3  H  1   1.73 0.03 . 1 . . . . . . . . 5722 1 
      141 . 1 1 13 13 LYS HE2  H  1   2.98 0.03 . 1 . . . . . . . . 5722 1 
      142 . 1 1 13 13 LYS HE3  H  1   2.98 0.03 . 1 . . . . . . . . 5722 1 
      143 . 1 1 13 13 LYS HG2  H  1   1.69 0.03 . 2 . . . . . . . . 5722 1 
      144 . 1 1 13 13 LYS HG3  H  1   1.43 0.03 . 2 . . . . . . . . 5722 1 
      145 . 1 1 13 13 LYS N    N 15 120.59 0.20 . 1 . . . . . . . . 5722 1 
      146 . 1 1 14 14 ALA C    C 13 178.63 0.40 . 1 . . . . . . . . 5722 1 
      147 . 1 1 14 14 ALA CA   C 13  54.72 0.40 . 1 . . . . . . . . 5722 1 
      148 . 1 1 14 14 ALA CB   C 13  17.82 0.40 . 1 . . . . . . . . 5722 1 
      149 . 1 1 14 14 ALA H    H  1   7.52 0.03 . 1 . . . . . . . . 5722 1 
      150 . 1 1 14 14 ALA HA   H  1   4.24 0.03 . 1 . . . . . . . . 5722 1 
      151 . 1 1 14 14 ALA HB1  H  1   1.81 0.03 . 1 . . . . . . . . 5722 1 
      152 . 1 1 14 14 ALA HB2  H  1   1.81 0.03 . 1 . . . . . . . . 5722 1 
      153 . 1 1 14 14 ALA HB3  H  1   1.81 0.03 . 1 . . . . . . . . 5722 1 
      154 . 1 1 14 14 ALA N    N 15 122.74 0.20 . 1 . . . . . . . . 5722 1 
      155 . 1 1 15 15 PHE C    C 13 177.29 0.40 . 1 . . . . . . . . 5722 1 
      156 . 1 1 15 15 PHE CA   C 13  61.64 0.40 . 1 . . . . . . . . 5722 1 
      157 . 1 1 15 15 PHE CB   C 13  39.22 0.40 . 1 . . . . . . . . 5722 1 
      158 . 1 1 15 15 PHE H    H  1   8.35 0.03 . 1 . . . . . . . . 5722 1 
      159 . 1 1 15 15 PHE HA   H  1   3.07 0.03 . 1 . . . . . . . . 5722 1 
      160 . 1 1 15 15 PHE HB2  H  1   3.26 0.03 . 2 . . . . . . . . 5722 1 
      161 . 1 1 15 15 PHE HB3  H  1   2.78 0.03 . 2 . . . . . . . . 5722 1 
      162 . 1 1 15 15 PHE HD1  H  1   6.59 0.03 . 3 . . . . . . . . 5722 1 
      163 . 1 1 15 15 PHE HE1  H  1   7.02 0.03 . 3 . . . . . . . . 5722 1 
      164 . 1 1 15 15 PHE HZ   H  1   7.13 0.03 . 1 . . . . . . . . 5722 1 
      165 . 1 1 15 15 PHE N    N 15 120.07 0.20 . 1 . . . . . . . . 5722 1 
      166 . 1 1 16 16 ARG C    C 13 177.80 0.40 . 1 . . . . . . . . 5722 1 
      167 . 1 1 16 16 ARG CA   C 13  58.22 0.40 . 1 . . . . . . . . 5722 1 
      168 . 1 1 16 16 ARG CB   C 13  30.04 0.40 . 1 . . . . . . . . 5722 1 
      169 . 1 1 16 16 ARG CD   C 13  43.52 0.40 . 1 . . . . . . . . 5722 1 
      170 . 1 1 16 16 ARG CG   C 13  28.42 0.40 . 1 . . . . . . . . 5722 1 
      171 . 1 1 16 16 ARG H    H  1   7.93 0.03 . 1 . . . . . . . . 5722 1 
      172 . 1 1 16 16 ARG HA   H  1   3.85 0.03 . 1 . . . . . . . . 5722 1 
      173 . 1 1 16 16 ARG HB2  H  1   1.92 0.03 . 1 . . . . . . . . 5722 1 
      174 . 1 1 16 16 ARG HB3  H  1   1.92 0.03 . 1 . . . . . . . . 5722 1 
      175 . 1 1 16 16 ARG HD2  H  1   3.29 0.03 . 2 . . . . . . . . 5722 1 
      176 . 1 1 16 16 ARG HD3  H  1   3.21 0.03 . 2 . . . . . . . . 5722 1 
      177 . 1 1 16 16 ARG HG2  H  1   1.86 0.03 . 2 . . . . . . . . 5722 1 
      178 . 1 1 16 16 ARG HG3  H  1   2.00 0.03 . 2 . . . . . . . . 5722 1 
      179 . 1 1 16 16 ARG N    N 15 116.16 0.20 . 1 . . . . . . . . 5722 1 
      180 . 1 1 17 17 LEU C    C 13 178.35 0.40 . 1 . . . . . . . . 5722 1 
      181 . 1 1 17 17 LEU CA   C 13  57.46 0.40 . 1 . . . . . . . . 5722 1 
      182 . 1 1 17 17 LEU CB   C 13  41.35 0.40 . 1 . . . . . . . . 5722 1 
      183 . 1 1 17 17 LEU CD1  C 13  24.58 0.40 . 1 . . . . . . . . 5722 1 
      184 . 1 1 17 17 LEU CD2  C 13  24.10 0.40 . 1 . . . . . . . . 5722 1 
      185 . 1 1 17 17 LEU CG   C 13  26.86 0.40 . 1 . . . . . . . . 5722 1 
      186 . 1 1 17 17 LEU H    H  1   7.29 0.03 . 1 . . . . . . . . 5722 1 
      187 . 1 1 17 17 LEU HA   H  1   3.95 0.03 . 1 . . . . . . . . 5722 1 
      188 . 1 1 17 17 LEU HB2  H  1   1.57 0.03 . 1 . . . . . . . . 5722 1 
      189 . 1 1 17 17 LEU HB3  H  1   1.57 0.03 . 1 . . . . . . . . 5722 1 
      190 . 1 1 17 17 LEU HD11 H  1   0.81 0.03 . 1 . . . . . . . . 5722 1 
      191 . 1 1 17 17 LEU HD12 H  1   0.81 0.03 . 1 . . . . . . . . 5722 1 
      192 . 1 1 17 17 LEU HD13 H  1   0.81 0.03 . 1 . . . . . . . . 5722 1 
      193 . 1 1 17 17 LEU HD21 H  1   0.67 0.03 . 1 . . . . . . . . 5722 1 
      194 . 1 1 17 17 LEU HD22 H  1   0.67 0.03 . 1 . . . . . . . . 5722 1 
      195 . 1 1 17 17 LEU HD23 H  1   0.67 0.03 . 1 . . . . . . . . 5722 1 
      196 . 1 1 17 17 LEU HG   H  1   1.41 0.03 . 1 . . . . . . . . 5722 1 
      197 . 1 1 17 17 LEU N    N 15 120.11 0.20 . 1 . . . . . . . . 5722 1 
      198 . 1 1 18 18 PHE C    C 13 176.26 0.40 . 1 . . . . . . . . 5722 1 
      199 . 1 1 18 18 PHE CA   C 13  59.82 0.40 . 1 . . . . . . . . 5722 1 
      200 . 1 1 18 18 PHE CB   C 13  40.62 0.40 . 1 . . . . . . . . 5722 1 
      201 . 1 1 18 18 PHE H    H  1   7.24 0.03 . 1 . . . . . . . . 5722 1 
      202 . 1 1 18 18 PHE HA   H  1   4.18 0.03 . 1 . . . . . . . . 5722 1 
      203 . 1 1 18 18 PHE HB2  H  1   2.80 0.03 . 2 . . . . . . . . 5722 1 
      204 . 1 1 18 18 PHE HB3  H  1   2.72 0.03 . 2 . . . . . . . . 5722 1 
      205 . 1 1 18 18 PHE HD1  H  1   7.24 0.03 . 3 . . . . . . . . 5722 1 
      206 . 1 1 18 18 PHE HE1  H  1   7.35 0.03 . 3 . . . . . . . . 5722 1 
      207 . 1 1 18 18 PHE HZ   H  1   7.30 0.03 . 1 . . . . . . . . 5722 1 
      208 . 1 1 18 18 PHE N    N 15 115.52 0.20 . 1 . . . . . . . . 5722 1 
      209 . 1 1 19 19 ASP CB   C 13  38.86 0.40 . 1 . . . . . . . . 5722 1 
      210 . 1 1 19 19 ASP H    H  1   7.98 0.03 . 1 . . . . . . . . 5722 1 
      211 . 1 1 19 19 ASP HA   H  1   4.75 0.03 . 1 . . . . . . . . 5722 1 
      212 . 1 1 19 19 ASP HB2  H  1   2.39 0.03 . 2 . . . . . . . . 5722 1 
      213 . 1 1 19 19 ASP HB3  H  1   1.52 0.03 . 2 . . . . . . . . 5722 1 
      214 . 1 1 19 19 ASP N    N 15 118.59 0.20 . 1 . . . . . . . . 5722 1 
      215 . 1 1 20 20 ASP CA   C 13  57.12 0.40 . 1 . . . . . . . . 5722 1 
      216 . 1 1 20 20 ASP CB   C 13  41.72 0.40 . 1 . . . . . . . . 5722 1 
      217 . 1 1 20 20 ASP H    H  1   7.77 0.03 . 1 . . . . . . . . 5722 1 
      218 . 1 1 20 20 ASP HA   H  1   4.21 0.03 . 1 . . . . . . . . 5722 1 
      219 . 1 1 20 20 ASP HB2  H  1   2.70 0.03 . 2 . . . . . . . . 5722 1 
      220 . 1 1 20 20 ASP HB3  H  1   2.61 0.03 . 2 . . . . . . . . 5722 1 
      221 . 1 1 20 20 ASP N    N 15 124.00 0.20 . 1 . . . . . . . . 5722 1 
      222 . 1 1 21 21 ASP C    C 13 176.51 0.40 . 1 . . . . . . . . 5722 1 
      223 . 1 1 21 21 ASP CA   C 13  52.07 0.40 . 1 . . . . . . . . 5722 1 
      224 . 1 1 21 21 ASP CB   C 13  39.52 0.40 . 1 . . . . . . . . 5722 1 
      225 . 1 1 21 21 ASP HA   H  1   4.59 0.03 . 1 . . . . . . . . 5722 1 
      226 . 1 1 21 21 ASP HB2  H  1   3.05 0.03 . 2 . . . . . . . . 5722 1 
      227 . 1 1 21 21 ASP HB3  H  1   2.60 0.03 . 2 . . . . . . . . 5722 1 
      228 . 1 1 22 22 ASN C    C 13 175.07 0.40 . 1 . . . . . . . . 5722 1 
      229 . 1 1 22 22 ASN CA   C 13  54.62 0.40 . 1 . . . . . . . . 5722 1 
      230 . 1 1 22 22 ASN CB   C 13  37.67 0.40 . 1 . . . . . . . . 5722 1 
      231 . 1 1 22 22 ASN H    H  1   8.14 0.03 . 1 . . . . . . . . 5722 1 
      232 . 1 1 22 22 ASN HA   H  1   4.34 0.03 . 1 . . . . . . . . 5722 1 
      233 . 1 1 22 22 ASN HB2  H  1   3.09 0.03 . 2 . . . . . . . . 5722 1 
      234 . 1 1 22 22 ASN HB3  H  1   2.62 0.03 . 2 . . . . . . . . 5722 1 
      235 . 1 1 22 22 ASN HD21 H  1   7.54 0.03 . 2 . . . . . . . . 5722 1 
      236 . 1 1 22 22 ASN HD22 H  1   6.74 0.03 . 2 . . . . . . . . 5722 1 
      237 . 1 1 22 22 ASN N    N 15 117.17 0.20 . 1 . . . . . . . . 5722 1 
      238 . 1 1 22 22 ASN ND2  N 15 111.31 0.03 . 1 . . . . . . . . 5722 1 
      239 . 1 1 23 23 SER C    C 13 176.28 0.40 . 1 . . . . . . . . 5722 1 
      240 . 1 1 23 23 SER CA   C 13  60.08 0.40 . 1 . . . . . . . . 5722 1 
      241 . 1 1 23 23 SER CB   C 13  64.62 0.40 . 1 . . . . . . . . 5722 1 
      242 . 1 1 23 23 SER H    H  1   8.96 0.03 . 1 . . . . . . . . 5722 1 
      243 . 1 1 23 23 SER HA   H  1   4.37 0.03 . 1 . . . . . . . . 5722 1 
      244 . 1 1 23 23 SER HB2  H  1   4.24 0.03 . 2 . . . . . . . . 5722 1 
      245 . 1 1 23 23 SER HB3  H  1   3.87 0.03 . 2 . . . . . . . . 5722 1 
      246 . 1 1 23 23 SER N    N 15 116.23 0.20 . 1 . . . . . . . . 5722 1 
      247 . 1 1 24 24 GLY C    C 13 173.63 0.40 . 1 . . . . . . . . 5722 1 
      248 . 1 1 24 24 GLY CA   C 13  45.31 0.40 . 1 . . . . . . . . 5722 1 
      249 . 1 1 24 24 GLY H    H  1  10.74 0.03 . 1 . . . . . . . . 5722 1 
      250 . 1 1 24 24 GLY HA2  H  1   4.59 0.03 . 2 . . . . . . . . 5722 1 
      251 . 1 1 24 24 GLY HA3  H  1   3.70 0.03 . 2 . . . . . . . . 5722 1 
      252 . 1 1 24 24 GLY N    N 15 116.66 0.20 . 1 . . . . . . . . 5722 1 
      253 . 1 1 25 25 THR C    C 13 173.03 0.40 . 1 . . . . . . . . 5722 1 
      254 . 1 1 25 25 THR CA   C 13  59.11 0.40 . 1 . . . . . . . . 5722 1 
      255 . 1 1 25 25 THR CB   C 13  73.35 0.40 . 1 . . . . . . . . 5722 1 
      256 . 1 1 25 25 THR CG2  C 13  22.73 0.40 . 1 . . . . . . . . 5722 1 
      257 . 1 1 25 25 THR H    H  1   7.39 0.03 . 1 . . . . . . . . 5722 1 
      258 . 1 1 25 25 THR HA   H  1   5.20 0.03 . 1 . . . . . . . . 5722 1 
      259 . 1 1 25 25 THR HB   H  1   3.96 0.03 . 1 . . . . . . . . 5722 1 
      260 . 1 1 25 25 THR HG21 H  1   1.20 0.03 . 1 . . . . . . . . 5722 1 
      261 . 1 1 25 25 THR HG22 H  1   1.20 0.03 . 1 . . . . . . . . 5722 1 
      262 . 1 1 25 25 THR HG23 H  1   1.20 0.03 . 1 . . . . . . . . 5722 1 
      263 . 1 1 25 25 THR N    N 15 107.19 0.20 . 1 . . . . . . . . 5722 1 
      264 . 1 1 26 26 ILE C    C 13 175.51 0.40 . 1 . . . . . . . . 5722 1 
      265 . 1 1 26 26 ILE CA   C 13  60.54 0.40 . 1 . . . . . . . . 5722 1 
      266 . 1 1 26 26 ILE CB   C 13  40.32 0.40 . 1 . . . . . . . . 5722 1 
      267 . 1 1 26 26 ILE CD1  C 13  16.19 0.40 . 1 . . . . . . . . 5722 1 
      268 . 1 1 26 26 ILE CG1  C 13  27.02 0.40 . 1 . . . . . . . . 5722 1 
      269 . 1 1 26 26 ILE CG2  C 13  17.64 0.40 . 1 . . . . . . . . 5722 1 
      270 . 1 1 26 26 ILE H    H  1   9.60 0.03 . 1 . . . . . . . . 5722 1 
      271 . 1 1 26 26 ILE HA   H  1   4.72 0.03 . 1 . . . . . . . . 5722 1 
      272 . 1 1 26 26 ILE HB   H  1   1.87 0.03 . 1 . . . . . . . . 5722 1 
      273 . 1 1 26 26 ILE HD11 H  1   0.38 0.03 . 1 . . . . . . . . 5722 1 
      274 . 1 1 26 26 ILE HD12 H  1   0.38 0.03 . 1 . . . . . . . . 5722 1 
      275 . 1 1 26 26 ILE HD13 H  1   0.38 0.03 . 1 . . . . . . . . 5722 1 
      276 . 1 1 26 26 ILE HG12 H  1   1.15 0.03 . 2 . . . . . . . . 5722 1 
      277 . 1 1 26 26 ILE HG13 H  1   0.48 0.03 . 2 . . . . . . . . 5722 1 
      278 . 1 1 26 26 ILE HG21 H  1   0.84 0.03 . 1 . . . . . . . . 5722 1 
      279 . 1 1 26 26 ILE HG22 H  1   0.84 0.03 . 1 . . . . . . . . 5722 1 
      280 . 1 1 26 26 ILE HG23 H  1   0.84 0.03 . 1 . . . . . . . . 5722 1 
      281 . 1 1 26 26 ILE N    N 15 124.76 0.20 . 1 . . . . . . . . 5722 1 
      282 . 1 1 27 27 THR C    C 13 176.58 0.40 . 1 . . . . . . . . 5722 1 
      283 . 1 1 27 27 THR CA   C 13  59.40 0.40 . 1 . . . . . . . . 5722 1 
      284 . 1 1 27 27 THR CB   C 13  73.17 0.40 . 1 . . . . . . . . 5722 1 
      285 . 1 1 27 27 THR CG2  C 13  21.68 0.40 . 1 . . . . . . . . 5722 1 
      286 . 1 1 27 27 THR H    H  1   9.29 0.03 . 1 . . . . . . . . 5722 1 
      287 . 1 1 27 27 THR HA   H  1   4.96 0.03 . 1 . . . . . . . . 5722 1 
      288 . 1 1 27 27 THR HB   H  1   4.77 0.03 . 1 . . . . . . . . 5722 1 
      289 . 1 1 27 27 THR HG21 H  1   1.21 0.03 . 1 . . . . . . . . 5722 1 
      290 . 1 1 27 27 THR HG22 H  1   1.21 0.03 . 1 . . . . . . . . 5722 1 
      291 . 1 1 27 27 THR HG23 H  1   1.21 0.03 . 1 . . . . . . . . 5722 1 
      292 . 1 1 27 27 THR N    N 15 116.96 0.20 . 1 . . . . . . . . 5722 1 
      293 . 1 1 28 28 ILE C    C 13 175.72 0.40 . 1 . . . . . . . . 5722 1 
      294 . 1 1 28 28 ILE CA   C 13  64.62 0.40 . 1 . . . . . . . . 5722 1 
      295 . 1 1 28 28 ILE CB   C 13  37.92 0.40 . 1 . . . . . . . . 5722 1 
      296 . 1 1 28 28 ILE CD1  C 13  14.82 0.40 . 1 . . . . . . . . 5722 1 
      297 . 1 1 28 28 ILE CG1  C 13  30.22 0.40 . 1 . . . . . . . . 5722 1 
      298 . 1 1 28 28 ILE CG2  C 13  17.27 0.40 . 1 . . . . . . . . 5722 1 
      299 . 1 1 28 28 ILE H    H  1   9.41 0.03 . 1 . . . . . . . . 5722 1 
      300 . 1 1 28 28 ILE HA   H  1   3.90 0.03 . 1 . . . . . . . . 5722 1 
      301 . 1 1 28 28 ILE HB   H  1   1.89 0.03 . 1 . . . . . . . . 5722 1 
      302 . 1 1 28 28 ILE HD11 H  1   0.90 0.03 . 1 . . . . . . . . 5722 1 
      303 . 1 1 28 28 ILE HD12 H  1   0.90 0.03 . 1 . . . . . . . . 5722 1 
      304 . 1 1 28 28 ILE HD13 H  1   0.90 0.03 . 1 . . . . . . . . 5722 1 
      305 . 1 1 28 28 ILE HG12 H  1   1.39 0.03 . 2 . . . . . . . . 5722 1 
      306 . 1 1 28 28 ILE HG13 H  1   1.35 0.03 . 2 . . . . . . . . 5722 1 
      307 . 1 1 28 28 ILE HG21 H  1   1.03 0.03 . 1 . . . . . . . . 5722 1 
      308 . 1 1 28 28 ILE HG22 H  1   1.03 0.03 . 1 . . . . . . . . 5722 1 
      309 . 1 1 28 28 ILE HG23 H  1   1.03 0.03 . 1 . . . . . . . . 5722 1 
      310 . 1 1 28 28 ILE N    N 15 121.75 0.20 . 1 . . . . . . . . 5722 1 
      311 . 1 1 29 29 LYS C    C 13 179.34 0.40 . 1 . . . . . . . . 5722 1 
      312 . 1 1 29 29 LYS CA   C 13  59.70 0.40 . 1 . . . . . . . . 5722 1 
      313 . 1 1 29 29 LYS CB   C 13  32.40 0.40 . 1 . . . . . . . . 5722 1 
      314 . 1 1 29 29 LYS CD   C 13  29.32 0.40 . 1 . . . . . . . . 5722 1 
      315 . 1 1 29 29 LYS CE   C 13  41.86 0.40 . 1 . . . . . . . . 5722 1 
      316 . 1 1 29 29 LYS CG   C 13  25.32 0.40 . 1 . . . . . . . . 5722 1 
      317 . 1 1 29 29 LYS H    H  1   7.49 0.03 . 1 . . . . . . . . 5722 1 
      318 . 1 1 29 29 LYS HA   H  1   3.98 0.03 . 1 . . . . . . . . 5722 1 
      319 . 1 1 29 29 LYS HB2  H  1   1.79 0.03 . 1 . . . . . . . . 5722 1 
      320 . 1 1 29 29 LYS HB3  H  1   1.79 0.03 . 1 . . . . . . . . 5722 1 
      321 . 1 1 29 29 LYS HD2  H  1   1.69 0.03 . 1 . . . . . . . . 5722 1 
      322 . 1 1 29 29 LYS HD3  H  1   1.69 0.03 . 1 . . . . . . . . 5722 1 
      323 . 1 1 29 29 LYS HE2  H  1   2.99 0.03 . 1 . . . . . . . . 5722 1 
      324 . 1 1 29 29 LYS HE3  H  1   2.99 0.03 . 1 . . . . . . . . 5722 1 
      325 . 1 1 29 29 LYS HG2  H  1   1.41 0.03 . 2 . . . . . . . . 5722 1 
      326 . 1 1 29 29 LYS HG3  H  1   1.49 0.03 . 2 . . . . . . . . 5722 1 
      327 . 1 1 29 29 LYS N    N 15 120.93 0.20 . 1 . . . . . . . . 5722 1 
      328 . 1 1 30 30 ASP C    C 13 177.94 0.40 . 1 . . . . . . . . 5722 1 
      329 . 1 1 30 30 ASP CA   C 13  57.15 0.40 . 1 . . . . . . . . 5722 1 
      330 . 1 1 30 30 ASP CB   C 13  42.05 0.40 . 1 . . . . . . . . 5722 1 
      331 . 1 1 30 30 ASP H    H  1   7.38 0.03 . 1 . . . . . . . . 5722 1 
      332 . 1 1 30 30 ASP HA   H  1   4.58 0.03 . 1 . . . . . . . . 5722 1 
      333 . 1 1 30 30 ASP HB2  H  1   3.47 0.03 . 2 . . . . . . . . 5722 1 
      334 . 1 1 30 30 ASP HB3  H  1   3.20 0.03 . 2 . . . . . . . . 5722 1 
      335 . 1 1 30 30 ASP N    N 15 119.74 0.20 . 1 . . . . . . . . 5722 1 
      336 . 1 1 31 31 LEU C    C 13 178.08 0.40 . 1 . . . . . . . . 5722 1 
      337 . 1 1 31 31 LEU CA   C 13  58.20 0.40 . 1 . . . . . . . . 5722 1 
      338 . 1 1 31 31 LEU CB   C 13  42.51 0.40 . 1 . . . . . . . . 5722 1 
      339 . 1 1 31 31 LEU CD1  C 13  26.03 0.40 . 1 . . . . . . . . 5722 1 
      340 . 1 1 31 31 LEU CD2  C 13  23.37 0.40 . 1 . . . . . . . . 5722 1 
      341 . 1 1 31 31 LEU CG   C 13  27.20 0.40 . 1 . . . . . . . . 5722 1 
      342 . 1 1 31 31 LEU H    H  1   7.59 0.03 . 1 . . . . . . . . 5722 1 
      343 . 1 1 31 31 LEU HA   H  1   3.95 0.03 . 1 . . . . . . . . 5722 1 
      344 . 1 1 31 31 LEU HB2  H  1   1.36 0.03 . 2 . . . . . . . . 5722 1 
      345 . 1 1 31 31 LEU HB3  H  1   1.79 0.03 . 2 . . . . . . . . 5722 1 
      346 . 1 1 31 31 LEU HD11 H  1   0.68 0.03 . 1 . . . . . . . . 5722 1 
      347 . 1 1 31 31 LEU HD12 H  1   0.68 0.03 . 1 . . . . . . . . 5722 1 
      348 . 1 1 31 31 LEU HD13 H  1   0.68 0.03 . 1 . . . . . . . . 5722 1 
      349 . 1 1 31 31 LEU HD21 H  1   0.53 0.03 . 1 . . . . . . . . 5722 1 
      350 . 1 1 31 31 LEU HD22 H  1   0.53 0.03 . 1 . . . . . . . . 5722 1 
      351 . 1 1 31 31 LEU HD23 H  1   0.53 0.03 . 1 . . . . . . . . 5722 1 
      352 . 1 1 31 31 LEU HG   H  1   1.59 0.03 . 1 . . . . . . . . 5722 1 
      353 . 1 1 31 31 LEU N    N 15 118.23 0.20 . 1 . . . . . . . . 5722 1 
      354 . 1 1 32 32 ARG C    C 13 179.10 0.40 . 1 . . . . . . . . 5722 1 
      355 . 1 1 32 32 ARG CA   C 13  59.54 0.40 . 1 . . . . . . . . 5722 1 
      356 . 1 1 32 32 ARG CB   C 13  30.96 0.40 . 1 . . . . . . . . 5722 1 
      357 . 1 1 32 32 ARG CD   C 13  43.54 0.40 . 1 . . . . . . . . 5722 1 
      358 . 1 1 32 32 ARG CG   C 13  28.02 0.40 . 1 . . . . . . . . 5722 1 
      359 . 1 1 32 32 ARG H    H  1   8.43 0.03 . 1 . . . . . . . . 5722 1 
      360 . 1 1 32 32 ARG HA   H  1   3.81 0.03 . 1 . . . . . . . . 5722 1 
      361 . 1 1 32 32 ARG HB2  H  1   1.84 0.03 . 1 . . . . . . . . 5722 1 
      362 . 1 1 32 32 ARG HB3  H  1   1.84 0.03 . 1 . . . . . . . . 5722 1 
      363 . 1 1 32 32 ARG HD2  H  1   3.11 0.03 . 2 . . . . . . . . 5722 1 
      364 . 1 1 32 32 ARG HD3  H  1   3.21 0.03 . 2 . . . . . . . . 5722 1 
      365 . 1 1 32 32 ARG HG2  H  1   1.74 0.03 . 2 . . . . . . . . 5722 1 
      366 . 1 1 32 32 ARG HG3  H  1   1.60 0.03 . 2 . . . . . . . . 5722 1 
      367 . 1 1 32 32 ARG N    N 15 117.70 0.20 . 1 . . . . . . . . 5722 1 
      368 . 1 1 33 33 ARG C    C 13 178.82 0.40 . 1 . . . . . . . . 5722 1 
      369 . 1 1 33 33 ARG CA   C 13  59.58 0.40 . 1 . . . . . . . . 5722 1 
      370 . 1 1 33 33 ARG CB   C 13  30.19 0.40 . 1 . . . . . . . . 5722 1 
      371 . 1 1 33 33 ARG CD   C 13  42.99 0.40 . 1 . . . . . . . . 5722 1 
      372 . 1 1 33 33 ARG CG   C 13  28.22 0.40 . 1 . . . . . . . . 5722 1 
      373 . 1 1 33 33 ARG H    H  1   7.46 0.03 . 1 . . . . . . . . 5722 1 
      374 . 1 1 33 33 ARG HA   H  1   4.04 0.03 . 1 . . . . . . . . 5722 1 
      375 . 1 1 33 33 ARG HB2  H  1   2.03 0.03 . 1 . . . . . . . . 5722 1 
      376 . 1 1 33 33 ARG HB3  H  1   2.03 0.03 . 1 . . . . . . . . 5722 1 
      377 . 1 1 33 33 ARG HD2  H  1   3.31 0.03 . 2 . . . . . . . . 5722 1 
      378 . 1 1 33 33 ARG HD3  H  1   3.23 0.03 . 2 . . . . . . . . 5722 1 
      379 . 1 1 33 33 ARG HG2  H  1   1.56 0.03 . 2 . . . . . . . . 5722 1 
      380 . 1 1 33 33 ARG HG3  H  1   1.77 0.03 . 2 . . . . . . . . 5722 1 
      381 . 1 1 33 33 ARG N    N 15 119.58 0.20 . 1 . . . . . . . . 5722 1 
      382 . 1 1 34 34 VAL C    C 13 177.69 0.40 . 1 . . . . . . . . 5722 1 
      383 . 1 1 34 34 VAL CA   C 13  66.56 0.40 . 1 . . . . . . . . 5722 1 
      384 . 1 1 34 34 VAL CB   C 13  32.07 0.40 . 1 . . . . . . . . 5722 1 
      385 . 1 1 34 34 VAL CG1  C 13  21.68 0.40 . 1 . . . . . . . . 5722 1 
      386 . 1 1 34 34 VAL CG2  C 13  23.34 0.40 . 1 . . . . . . . . 5722 1 
      387 . 1 1 34 34 VAL H    H  1   8.32 0.03 . 1 . . . . . . . . 5722 1 
      388 . 1 1 34 34 VAL HA   H  1   3.62 0.03 . 1 . . . . . . . . 5722 1 
      389 . 1 1 34 34 VAL HB   H  1   2.00 0.03 . 1 . . . . . . . . 5722 1 
      390 . 1 1 34 34 VAL HG11 H  1   0.77 0.03 . 1 . . . . . . . . 5722 1 
      391 . 1 1 34 34 VAL HG12 H  1   0.77 0.03 . 1 . . . . . . . . 5722 1 
      392 . 1 1 34 34 VAL HG13 H  1   0.77 0.03 . 1 . . . . . . . . 5722 1 
      393 . 1 1 34 34 VAL HG21 H  1   0.98 0.03 . 1 . . . . . . . . 5722 1 
      394 . 1 1 34 34 VAL HG22 H  1   0.98 0.03 . 1 . . . . . . . . 5722 1 
      395 . 1 1 34 34 VAL HG23 H  1   0.98 0.03 . 1 . . . . . . . . 5722 1 
      396 . 1 1 34 34 VAL N    N 15 120.86 0.20 . 1 . . . . . . . . 5722 1 
      397 . 1 1 35 35 ALA C    C 13 179.33 0.40 . 1 . . . . . . . . 5722 1 
      398 . 1 1 35 35 ALA CA   C 13  56.14 0.40 . 1 . . . . . . . . 5722 1 
      399 . 1 1 35 35 ALA CB   C 13  17.61 0.40 . 1 . . . . . . . . 5722 1 
      400 . 1 1 35 35 ALA H    H  1   8.59 0.03 . 1 . . . . . . . . 5722 1 
      401 . 1 1 35 35 ALA HA   H  1   3.80 0.03 . 1 . . . . . . . . 5722 1 
      402 . 1 1 35 35 ALA HB1  H  1   1.49 0.03 . 1 . . . . . . . . 5722 1 
      403 . 1 1 35 35 ALA HB2  H  1   1.49 0.03 . 1 . . . . . . . . 5722 1 
      404 . 1 1 35 35 ALA HB3  H  1   1.49 0.03 . 1 . . . . . . . . 5722 1 
      405 . 1 1 35 35 ALA N    N 15 120.96 0.20 . 1 . . . . . . . . 5722 1 
      406 . 1 1 36 36 LYS C    C 13 180.63 0.40 . 1 . . . . . . . . 5722 1 
      407 . 1 1 36 36 LYS CA   C 13  59.14 0.40 . 1 . . . . . . . . 5722 1 
      408 . 1 1 36 36 LYS CB   C 13  32.22 0.40 . 1 . . . . . . . . 5722 1 
      409 . 1 1 36 36 LYS CD   C 13  29.32 0.40 . 1 . . . . . . . . 5722 1 
      410 . 1 1 36 36 LYS CE   C 13  41.90 0.40 . 1 . . . . . . . . 5722 1 
      411 . 1 1 36 36 LYS CG   C 13  25.12 0.40 . 1 . . . . . . . . 5722 1 
      412 . 1 1 36 36 LYS H    H  1   7.58 0.03 . 1 . . . . . . . . 5722 1 
      413 . 1 1 36 36 LYS HA   H  1   4.14 0.03 . 1 . . . . . . . . 5722 1 
      414 . 1 1 36 36 LYS HB2  H  1   2.00 0.03 . 1 . . . . . . . . 5722 1 
      415 . 1 1 36 36 LYS HB3  H  1   2.00 0.03 . 1 . . . . . . . . 5722 1 
      416 . 1 1 36 36 LYS HD2  H  1   1.72 0.03 . 1 . . . . . . . . 5722 1 
      417 . 1 1 36 36 LYS HD3  H  1   1.72 0.03 . 1 . . . . . . . . 5722 1 
      418 . 1 1 36 36 LYS HE2  H  1   3.00 0.03 . 1 . . . . . . . . 5722 1 
      419 . 1 1 36 36 LYS HE3  H  1   3.00 0.03 . 1 . . . . . . . . 5722 1 
      420 . 1 1 36 36 LYS HG2  H  1   1.56 0.03 . 2 . . . . . . . . 5722 1 
      421 . 1 1 36 36 LYS HG3  H  1   1.47 0.03 . 2 . . . . . . . . 5722 1 
      422 . 1 1 36 36 LYS N    N 15 116.99 0.20 . 1 . . . . . . . . 5722 1 
      423 . 1 1 37 37 GLU C    C 13 178.92 0.40 . 1 . . . . . . . . 5722 1 
      424 . 1 1 37 37 GLU CA   C 13  59.24 0.40 . 1 . . . . . . . . 5722 1 
      425 . 1 1 37 37 GLU CB   C 13  29.41 0.40 . 1 . . . . . . . . 5722 1 
      426 . 1 1 37 37 GLU CG   C 13  36.32 0.40 . 1 . . . . . . . . 5722 1 
      427 . 1 1 37 37 GLU H    H  1   8.28 0.03 . 1 . . . . . . . . 5722 1 
      428 . 1 1 37 37 GLU HA   H  1   4.00 0.03 . 1 . . . . . . . . 5722 1 
      429 . 1 1 37 37 GLU HB2  H  1   2.08 0.03 . 2 . . . . . . . . 5722 1 
      430 . 1 1 37 37 GLU HB3  H  1   2.21 0.03 . 2 . . . . . . . . 5722 1 
      431 . 1 1 37 37 GLU HG2  H  1   2.29 0.03 . 2 . . . . . . . . 5722 1 
      432 . 1 1 37 37 GLU HG3  H  1   2.39 0.03 . 2 . . . . . . . . 5722 1 
      433 . 1 1 37 37 GLU N    N 15 122.31 0.20 . 1 . . . . . . . . 5722 1 
      434 . 1 1 38 38 LEU C    C 13 177.38 0.40 . 1 . . . . . . . . 5722 1 
      435 . 1 1 38 38 LEU CA   C 13  54.92 0.40 . 1 . . . . . . . . 5722 1 
      436 . 1 1 38 38 LEU CB   C 13  42.47 0.40 . 1 . . . . . . . . 5722 1 
      437 . 1 1 38 38 LEU CD1  C 13  26.52 0.40 . 1 . . . . . . . . 5722 1 
      438 . 1 1 38 38 LEU CD2  C 13  22.37 0.40 . 1 . . . . . . . . 5722 1 
      439 . 1 1 38 38 LEU CG   C 13  26.72 0.40 . 1 . . . . . . . . 5722 1 
      440 . 1 1 38 38 LEU H    H  1   8.04 0.03 . 1 . . . . . . . . 5722 1 
      441 . 1 1 38 38 LEU HA   H  1   4.19 0.03 . 1 . . . . . . . . 5722 1 
      442 . 1 1 38 38 LEU HB2  H  1   1.35 0.03 . 2 . . . . . . . . 5722 1 
      443 . 1 1 38 38 LEU HB3  H  1   1.63 0.03 . 2 . . . . . . . . 5722 1 
      444 . 1 1 38 38 LEU HD11 H  1   0.79 0.03 . 1 . . . . . . . . 5722 1 
      445 . 1 1 38 38 LEU HD12 H  1   0.79 0.03 . 1 . . . . . . . . 5722 1 
      446 . 1 1 38 38 LEU HD13 H  1   0.79 0.03 . 1 . . . . . . . . 5722 1 
      447 . 1 1 38 38 LEU HD21 H  1   0.65 0.03 . 1 . . . . . . . . 5722 1 
      448 . 1 1 38 38 LEU HD22 H  1   0.65 0.03 . 1 . . . . . . . . 5722 1 
      449 . 1 1 38 38 LEU HD23 H  1   0.65 0.03 . 1 . . . . . . . . 5722 1 
      450 . 1 1 38 38 LEU HG   H  1   1.82 0.03 . 1 . . . . . . . . 5722 1 
      451 . 1 1 38 38 LEU N    N 15 117.11 0.20 . 1 . . . . . . . . 5722 1 
      452 . 1 1 39 39 GLY C    C 13 175.07 0.40 . 1 . . . . . . . . 5722 1 
      453 . 1 1 39 39 GLY CA   C 13  46.07 0.40 . 1 . . . . . . . . 5722 1 
      454 . 1 1 39 39 GLY H    H  1   7.81 0.03 . 1 . . . . . . . . 5722 1 
      455 . 1 1 39 39 GLY HA2  H  1   4.01 0.03 . 2 . . . . . . . . 5722 1 
      456 . 1 1 39 39 GLY HA3  H  1   3.81 0.03 . 2 . . . . . . . . 5722 1 
      457 . 1 1 39 39 GLY N    N 15 108.77 0.20 . 1 . . . . . . . . 5722 1 
      458 . 1 1 40 40 GLU C    C 13 175.93 0.40 . 1 . . . . . . . . 5722 1 
      459 . 1 1 40 40 GLU CA   C 13  54.79 0.40 . 1 . . . . . . . . 5722 1 
      460 . 1 1 40 40 GLU CB   C 13  30.95 0.40 . 1 . . . . . . . . 5722 1 
      461 . 1 1 40 40 GLU CG   C 13  35.39 0.40 . 1 . . . . . . . . 5722 1 
      462 . 1 1 40 40 GLU H    H  1   8.13 0.03 . 1 . . . . . . . . 5722 1 
      463 . 1 1 40 40 GLU HA   H  1   4.36 0.03 . 1 . . . . . . . . 5722 1 
      464 . 1 1 40 40 GLU HB2  H  1   1.89 0.03 . 2 . . . . . . . . 5722 1 
      465 . 1 1 40 40 GLU HB3  H  1   1.65 0.03 . 2 . . . . . . . . 5722 1 
      466 . 1 1 40 40 GLU HG2  H  1   2.12 0.03 . 1 . . . . . . . . 5722 1 
      467 . 1 1 40 40 GLU HG3  H  1   2.12 0.03 . 1 . . . . . . . . 5722 1 
      468 . 1 1 40 40 GLU N    N 15 119.84 0.20 . 1 . . . . . . . . 5722 1 
      469 . 1 1 41 41 ASN C    C 13 174.84 0.40 . 1 . . . . . . . . 5722 1 
      470 . 1 1 41 41 ASN CA   C 13  52.84 0.40 . 1 . . . . . . . . 5722 1 
      471 . 1 1 41 41 ASN CB   C 13  37.73 0.40 . 1 . . . . . . . . 5722 1 
      472 . 1 1 41 41 ASN H    H  1   8.86 0.03 . 1 . . . . . . . . 5722 1 
      473 . 1 1 41 41 ASN HA   H  1   4.69 0.03 . 1 . . . . . . . . 5722 1 
      474 . 1 1 41 41 ASN HB2  H  1   2.78 0.03 . 2 . . . . . . . . 5722 1 
      475 . 1 1 41 41 ASN HB3  H  1   2.71 0.03 . 2 . . . . . . . . 5722 1 
      476 . 1 1 41 41 ASN HD21 H  1   7.56 0.03 . 2 . . . . . . . . 5722 1 
      477 . 1 1 41 41 ASN HD22 H  1   6.80 0.03 . 2 . . . . . . . . 5722 1 
      478 . 1 1 41 41 ASN N    N 15 124.44 0.20 . 1 . . . . . . . . 5722 1 
      479 . 1 1 41 41 ASN ND2  N 15 111.57 0.03 . 1 . . . . . . . . 5722 1 
      480 . 1 1 42 42 LEU C    C 13 177.16 0.40 . 1 . . . . . . . . 5722 1 
      481 . 1 1 42 42 LEU CA   C 13  54.20 0.40 . 1 . . . . . . . . 5722 1 
      482 . 1 1 42 42 LEU CB   C 13  44.22 0.40 . 1 . . . . . . . . 5722 1 
      483 . 1 1 42 42 LEU CD1  C 13  26.74 0.40 . 1 . . . . . . . . 5722 1 
      484 . 1 1 42 42 LEU CD2  C 13  24.81 0.40 . 1 . . . . . . . . 5722 1 
      485 . 1 1 42 42 LEU CG   C 13  27.99 0.40 . 1 . . . . . . . . 5722 1 
      486 . 1 1 42 42 LEU H    H  1   7.58 0.03 . 1 . . . . . . . . 5722 1 
      487 . 1 1 42 42 LEU HA   H  1   4.68 0.03 . 1 . . . . . . . . 5722 1 
      488 . 1 1 42 42 LEU HB2  H  1   1.34 0.03 . 2 . . . . . . . . 5722 1 
      489 . 1 1 42 42 LEU HB3  H  1   1.30 0.03 . 2 . . . . . . . . 5722 1 
      490 . 1 1 42 42 LEU HD11 H  1   0.67 0.03 . 1 . . . . . . . . 5722 1 
      491 . 1 1 42 42 LEU HD12 H  1   0.67 0.03 . 1 . . . . . . . . 5722 1 
      492 . 1 1 42 42 LEU HD13 H  1   0.67 0.03 . 1 . . . . . . . . 5722 1 
      493 . 1 1 42 42 LEU HD21 H  1   0.76 0.03 . 1 . . . . . . . . 5722 1 
      494 . 1 1 42 42 LEU HD22 H  1   0.76 0.03 . 1 . . . . . . . . 5722 1 
      495 . 1 1 42 42 LEU HD23 H  1   0.76 0.03 . 1 . . . . . . . . 5722 1 
      496 . 1 1 42 42 LEU HG   H  1   1.49 0.03 . 1 . . . . . . . . 5722 1 
      497 . 1 1 42 42 LEU N    N 15 125.29 0.20 . 1 . . . . . . . . 5722 1 
      498 . 1 1 43 43 THR C    C 13 175.18 0.40 . 1 . . . . . . . . 5722 1 
      499 . 1 1 43 43 THR CA   C 13  60.59 0.40 . 1 . . . . . . . . 5722 1 
      500 . 1 1 43 43 THR CB   C 13  71.43 0.40 . 1 . . . . . . . . 5722 1 
      501 . 1 1 43 43 THR CG2  C 13  21.79 0.40 . 1 . . . . . . . . 5722 1 
      502 . 1 1 43 43 THR H    H  1   9.41 0.03 . 1 . . . . . . . . 5722 1 
      503 . 1 1 43 43 THR HA   H  1   4.38 0.03 . 1 . . . . . . . . 5722 1 
      504 . 1 1 43 43 THR HB   H  1   4.76 0.03 . 1 . . . . . . . . 5722 1 
      505 . 1 1 43 43 THR HG21 H  1   1.33 0.03 . 1 . . . . . . . . 5722 1 
      506 . 1 1 43 43 THR HG22 H  1   1.33 0.03 . 1 . . . . . . . . 5722 1 
      507 . 1 1 43 43 THR HG23 H  1   1.33 0.03 . 1 . . . . . . . . 5722 1 
      508 . 1 1 43 43 THR N    N 15 116.41 0.20 . 1 . . . . . . . . 5722 1 
      509 . 1 1 44 44 GLU C    C 13 178.69 0.40 . 1 . . . . . . . . 5722 1 
      510 . 1 1 44 44 GLU CA   C 13  59.82 0.40 . 1 . . . . . . . . 5722 1 
      511 . 1 1 44 44 GLU CB   C 13  29.13 0.40 . 1 . . . . . . . . 5722 1 
      512 . 1 1 44 44 GLU CG   C 13  35.72 0.40 . 1 . . . . . . . . 5722 1 
      513 . 1 1 44 44 GLU H    H  1   8.86 0.03 . 1 . . . . . . . . 5722 1 
      514 . 1 1 44 44 GLU HA   H  1   3.94 0.03 . 1 . . . . . . . . 5722 1 
      515 . 1 1 44 44 GLU HB2  H  1   2.00 0.03 . 2 . . . . . . . . 5722 1 
      516 . 1 1 44 44 GLU HB3  H  1   2.06 0.03 . 2 . . . . . . . . 5722 1 
      517 . 1 1 44 44 GLU HG2  H  1   2.32 0.03 . 2 . . . . . . . . 5722 1 
      518 . 1 1 44 44 GLU HG3  H  1   2.36 0.03 . 2 . . . . . . . . 5722 1 
      519 . 1 1 44 44 GLU N    N 15 121.30 0.20 . 1 . . . . . . . . 5722 1 
      520 . 1 1 45 45 GLU C    C 13 179.64 0.40 . 1 . . . . . . . . 5722 1 
      521 . 1 1 45 45 GLU CA   C 13  60.45 0.40 . 1 . . . . . . . . 5722 1 
      522 . 1 1 45 45 GLU CB   C 13  29.01 0.40 . 1 . . . . . . . . 5722 1 
      523 . 1 1 45 45 GLU CG   C 13  37.42 0.40 . 1 . . . . . . . . 5722 1 
      524 . 1 1 45 45 GLU H    H  1   8.56 0.03 . 1 . . . . . . . . 5722 1 
      525 . 1 1 45 45 GLU HA   H  1   3.95 0.03 . 1 . . . . . . . . 5722 1 
      526 . 1 1 45 45 GLU HB2  H  1   2.04 0.03 . 2 . . . . . . . . 5722 1 
      527 . 1 1 45 45 GLU HB3  H  1   1.92 0.03 . 2 . . . . . . . . 5722 1 
      528 . 1 1 45 45 GLU HG2  H  1   2.38 0.03 . 2 . . . . . . . . 5722 1 
      529 . 1 1 45 45 GLU HG3  H  1   2.25 0.03 . 2 . . . . . . . . 5722 1 
      530 . 1 1 45 45 GLU N    N 15 118.09 0.20 . 1 . . . . . . . . 5722 1 
      531 . 1 1 46 46 GLU C    C 13 179.43 0.40 . 1 . . . . . . . . 5722 1 
      532 . 1 1 46 46 GLU CA   C 13  59.44 0.40 . 1 . . . . . . . . 5722 1 
      533 . 1 1 46 46 GLU CB   C 13  30.49 0.40 . 1 . . . . . . . . 5722 1 
      534 . 1 1 46 46 GLU CG   C 13  38.60 0.40 . 1 . . . . . . . . 5722 1 
      535 . 1 1 46 46 GLU H    H  1   7.80 0.03 . 1 . . . . . . . . 5722 1 
      536 . 1 1 46 46 GLU HA   H  1   3.92 0.03 . 1 . . . . . . . . 5722 1 
      537 . 1 1 46 46 GLU HB2  H  1   2.44 0.03 . 2 . . . . . . . . 5722 1 
      538 . 1 1 46 46 GLU HB3  H  1   1.64 0.03 . 2 . . . . . . . . 5722 1 
      539 . 1 1 46 46 GLU HG2  H  1   2.07 0.03 . 2 . . . . . . . . 5722 1 
      540 . 1 1 46 46 GLU HG3  H  1   2.45 0.03 . 2 . . . . . . . . 5722 1 
      541 . 1 1 46 46 GLU N    N 15 121.26 0.20 . 1 . . . . . . . . 5722 1 
      542 . 1 1 47 47 LEU C    C 13 179.10 0.40 . 1 . . . . . . . . 5722 1 
      543 . 1 1 47 47 LEU CA   C 13  57.80 0.40 . 1 . . . . . . . . 5722 1 
      544 . 1 1 47 47 LEU CB   C 13  41.57 0.40 . 1 . . . . . . . . 5722 1 
      545 . 1 1 47 47 LEU CD1  C 13  26.32 0.40 . 1 . . . . . . . . 5722 1 
      546 . 1 1 47 47 LEU CD2  C 13  24.02 0.40 . 1 . . . . . . . . 5722 1 
      547 . 1 1 47 47 LEU CG   C 13  26.05 0.40 . 1 . . . . . . . . 5722 1 
      548 . 1 1 47 47 LEU H    H  1   8.25 0.03 . 1 . . . . . . . . 5722 1 
      549 . 1 1 47 47 LEU HA   H  1   3.95 0.03 . 1 . . . . . . . . 5722 1 
      550 . 1 1 47 47 LEU HB2  H  1   2.05 0.03 . 2 . . . . . . . . 5722 1 
      551 . 1 1 47 47 LEU HB3  H  1   1.14 0.03 . 2 . . . . . . . . 5722 1 
      552 . 1 1 47 47 LEU HD11 H  1   0.71 0.03 . 1 . . . . . . . . 5722 1 
      553 . 1 1 47 47 LEU HD12 H  1   0.71 0.03 . 1 . . . . . . . . 5722 1 
      554 . 1 1 47 47 LEU HD13 H  1   0.71 0.03 . 1 . . . . . . . . 5722 1 
      555 . 1 1 47 47 LEU HD21 H  1   0.61 0.03 . 1 . . . . . . . . 5722 1 
      556 . 1 1 47 47 LEU HD22 H  1   0.61 0.03 . 1 . . . . . . . . 5722 1 
      557 . 1 1 47 47 LEU HD23 H  1   0.61 0.03 . 1 . . . . . . . . 5722 1 
      558 . 1 1 47 47 LEU HG   H  1   1.75 0.03 . 1 . . . . . . . . 5722 1 
      559 . 1 1 47 47 LEU N    N 15 120.29 0.20 . 1 . . . . . . . . 5722 1 
      560 . 1 1 48 48 GLN C    C 13 179.34 0.40 . 1 . . . . . . . . 5722 1 
      561 . 1 1 48 48 GLN CA   C 13  58.86 0.40 . 1 . . . . . . . . 5722 1 
      562 . 1 1 48 48 GLN CB   C 13  27.73 0.40 . 1 . . . . . . . . 5722 1 
      563 . 1 1 48 48 GLN CG   C 13  33.70 0.40 . 1 . . . . . . . . 5722 1 
      564 . 1 1 48 48 GLN H    H  1   8.31 0.03 . 1 . . . . . . . . 5722 1 
      565 . 1 1 48 48 GLN HA   H  1   3.92 0.03 . 1 . . . . . . . . 5722 1 
      566 . 1 1 48 48 GLN HB2  H  1   2.18 0.03 . 2 . . . . . . . . 5722 1 
      567 . 1 1 48 48 GLN HB3  H  1   2.11 0.03 . 2 . . . . . . . . 5722 1 
      568 . 1 1 48 48 GLN HE21 H  1   7.48 0.03 . 2 . . . . . . . . 5722 1 
      569 . 1 1 48 48 GLN HE22 H  1   6.91 0.03 . 2 . . . . . . . . 5722 1 
      570 . 1 1 48 48 GLN HG2  H  1   2.51 0.03 . 2 . . . . . . . . 5722 1 
      571 . 1 1 48 48 GLN HG3  H  1   2.42 0.03 . 2 . . . . . . . . 5722 1 
      572 . 1 1 48 48 GLN N    N 15 118.31 0.20 . 1 . . . . . . . . 5722 1 
      573 . 1 1 48 48 GLN NE2  N 15 110.74 0.03 . 1 . . . . . . . . 5722 1 
      574 . 1 1 49 49 GLU C    C 13 179.10 0.40 . 1 . . . . . . . . 5722 1 
      575 . 1 1 49 49 GLU CA   C 13  59.26 0.40 . 1 . . . . . . . . 5722 1 
      576 . 1 1 49 49 GLU CB   C 13  29.66 0.40 . 1 . . . . . . . . 5722 1 
      577 . 1 1 49 49 GLU CG   C 13  36.49 0.40 . 1 . . . . . . . . 5722 1 
      578 . 1 1 49 49 GLU H    H  1   7.99 0.03 . 1 . . . . . . . . 5722 1 
      579 . 1 1 49 49 GLU HA   H  1   4.09 0.03 . 1 . . . . . . . . 5722 1 
      580 . 1 1 49 49 GLU HB2  H  1   2.09 0.03 . 2 . . . . . . . . 5722 1 
      581 . 1 1 49 49 GLU HB3  H  1   2.21 0.03 . 2 . . . . . . . . 5722 1 
      582 . 1 1 49 49 GLU HG2  H  1   2.48 0.03 . 2 . . . . . . . . 5722 1 
      583 . 1 1 49 49 GLU HG3  H  1   2.23 0.03 . 2 . . . . . . . . 5722 1 
      584 . 1 1 49 49 GLU N    N 15 121.28 0.20 . 1 . . . . . . . . 5722 1 
      585 . 1 1 50 50 MET C    C 13 179.57 0.40 . 1 . . . . . . . . 5722 1 
      586 . 1 1 50 50 MET CA   C 13  59.66 0.40 . 1 . . . . . . . . 5722 1 
      587 . 1 1 50 50 MET CB   C 13  33.42 0.40 . 1 . . . . . . . . 5722 1 
      588 . 1 1 50 50 MET CE   C 13  15.47 0.40 . 1 . . . . . . . . 5722 1 
      589 . 1 1 50 50 MET CG   C 13  33.02 0.40 . 1 . . . . . . . . 5722 1 
      590 . 1 1 50 50 MET H    H  1   7.76 0.03 . 1 . . . . . . . . 5722 1 
      591 . 1 1 50 50 MET HA   H  1   4.05 0.03 . 1 . . . . . . . . 5722 1 
      592 . 1 1 50 50 MET HB2  H  1   1.43 0.03 . 2 . . . . . . . . 5722 1 
      593 . 1 1 50 50 MET HB3  H  1   2.02 0.03 . 2 . . . . . . . . 5722 1 
      594 . 1 1 50 50 MET HE1  H  1   0.45 0.03 . 1 . . . . . . . . 5722 1 
      595 . 1 1 50 50 MET HE2  H  1   0.45 0.03 . 1 . . . . . . . . 5722 1 
      596 . 1 1 50 50 MET HE3  H  1   0.45 0.03 . 1 . . . . . . . . 5722 1 
      597 . 1 1 50 50 MET HG2  H  1   1.72 0.03 . 2 . . . . . . . . 5722 1 
      598 . 1 1 50 50 MET HG3  H  1   2.47 0.03 . 2 . . . . . . . . 5722 1 
      599 . 1 1 50 50 MET N    N 15 120.15 0.20 . 1 . . . . . . . . 5722 1 
      600 . 1 1 51 51 ILE C    C 13 177.44 0.40 . 1 . . . . . . . . 5722 1 
      601 . 1 1 51 51 ILE CA   C 13  63.77 0.40 . 1 . . . . . . . . 5722 1 
      602 . 1 1 51 51 ILE CB   C 13  36.34 0.40 . 1 . . . . . . . . 5722 1 
      603 . 1 1 51 51 ILE CD1  C 13  10.99 0.40 . 1 . . . . . . . . 5722 1 
      604 . 1 1 51 51 ILE CG1  C 13  27.73 0.40 . 1 . . . . . . . . 5722 1 
      605 . 1 1 51 51 ILE CG2  C 13  16.22 0.40 . 1 . . . . . . . . 5722 1 
      606 . 1 1 51 51 ILE H    H  1   7.57 0.03 . 1 . . . . . . . . 5722 1 
      607 . 1 1 51 51 ILE HA   H  1   3.79 0.03 . 1 . . . . . . . . 5722 1 
      608 . 1 1 51 51 ILE HB   H  1   2.20 0.03 . 1 . . . . . . . . 5722 1 
      609 . 1 1 51 51 ILE HD11 H  1   0.69 0.03 . 1 . . . . . . . . 5722 1 
      610 . 1 1 51 51 ILE HD12 H  1   0.69 0.03 . 1 . . . . . . . . 5722 1 
      611 . 1 1 51 51 ILE HD13 H  1   0.69 0.03 . 1 . . . . . . . . 5722 1 
      612 . 1 1 51 51 ILE HG12 H  1   1.55 0.03 . 2 . . . . . . . . 5722 1 
      613 . 1 1 51 51 ILE HG13 H  1   1.38 0.03 . 2 . . . . . . . . 5722 1 
      614 . 1 1 51 51 ILE HG21 H  1   0.82 0.03 . 1 . . . . . . . . 5722 1 
      615 . 1 1 51 51 ILE HG22 H  1   0.82 0.03 . 1 . . . . . . . . 5722 1 
      616 . 1 1 51 51 ILE HG23 H  1   0.82 0.03 . 1 . . . . . . . . 5722 1 
      617 . 1 1 51 51 ILE N    N 15 119.47 0.20 . 1 . . . . . . . . 5722 1 
      618 . 1 1 52 52 ALA C    C 13 180.30 0.40 . 1 . . . . . . . . 5722 1 
      619 . 1 1 52 52 ALA CA   C 13  54.99 0.40 . 1 . . . . . . . . 5722 1 
      620 . 1 1 52 52 ALA CB   C 13  18.30 0.40 . 1 . . . . . . . . 5722 1 
      621 . 1 1 52 52 ALA H    H  1   8.38 0.03 . 1 . . . . . . . . 5722 1 
      622 . 1 1 52 52 ALA HA   H  1   4.24 0.03 . 1 . . . . . . . . 5722 1 
      623 . 1 1 52 52 ALA HB1  H  1   1.54 0.03 . 1 . . . . . . . . 5722 1 
      624 . 1 1 52 52 ALA HB2  H  1   1.54 0.03 . 1 . . . . . . . . 5722 1 
      625 . 1 1 52 52 ALA HB3  H  1   1.54 0.03 . 1 . . . . . . . . 5722 1 
      626 . 1 1 52 52 ALA N    N 15 121.46 0.20 . 1 . . . . . . . . 5722 1 
      627 . 1 1 53 53 GLU C    C 13 177.47 0.40 . 1 . . . . . . . . 5722 1 
      628 . 1 1 53 53 GLU CA   C 13  58.40 0.40 . 1 . . . . . . . . 5722 1 
      629 . 1 1 53 53 GLU CB   C 13  30.43 0.40 . 1 . . . . . . . . 5722 1 
      630 . 1 1 53 53 GLU CG   C 13  36.49 0.40 . 1 . . . . . . . . 5722 1 
      631 . 1 1 53 53 GLU H    H  1   8.12 0.03 . 1 . . . . . . . . 5722 1 
      632 . 1 1 53 53 GLU HA   H  1   4.10 0.03 . 1 . . . . . . . . 5722 1 
      633 . 1 1 53 53 GLU HB2  H  1   2.18 0.03 . 2 . . . . . . . . 5722 1 
      634 . 1 1 53 53 GLU HB3  H  1   2.29 0.03 . 2 . . . . . . . . 5722 1 
      635 . 1 1 53 53 GLU HG2  H  1   2.44 0.03 . 2 . . . . . . . . 5722 1 
      636 . 1 1 53 53 GLU HG3  H  1   2.36 0.03 . 2 . . . . . . . . 5722 1 
      637 . 1 1 53 53 GLU N    N 15 115.77 0.20 . 1 . . . . . . . . 5722 1 
      638 . 1 1 54 54 ALA C    C 13 177.23 0.40 . 1 . . . . . . . . 5722 1 
      639 . 1 1 54 54 ALA CA   C 13  51.87 0.40 . 1 . . . . . . . . 5722 1 
      640 . 1 1 54 54 ALA CB   C 13  21.38 0.40 . 1 . . . . . . . . 5722 1 
      641 . 1 1 54 54 ALA H    H  1   7.33 0.03 . 1 . . . . . . . . 5722 1 
      642 . 1 1 54 54 ALA HA   H  1   4.41 0.03 . 1 . . . . . . . . 5722 1 
      643 . 1 1 54 54 ALA HB1  H  1   1.41 0.03 . 1 . . . . . . . . 5722 1 
      644 . 1 1 54 54 ALA HB2  H  1   1.41 0.03 . 1 . . . . . . . . 5722 1 
      645 . 1 1 54 54 ALA HB3  H  1   1.41 0.03 . 1 . . . . . . . . 5722 1 
      646 . 1 1 54 54 ALA N    N 15 119.12 0.20 . 1 . . . . . . . . 5722 1 
      647 . 1 1 55 55 ASP C    C 13 176.73 0.40 . 1 . . . . . . . . 5722 1 
      648 . 1 1 55 55 ASP CA   C 13  55.18 0.40 . 1 . . . . . . . . 5722 1 
      649 . 1 1 55 55 ASP CB   C 13  40.84 0.40 . 1 . . . . . . . . 5722 1 
      650 . 1 1 55 55 ASP H    H  1   8.30 0.03 . 1 . . . . . . . . 5722 1 
      651 . 1 1 55 55 ASP HA   H  1   4.36 0.03 . 1 . . . . . . . . 5722 1 
      652 . 1 1 55 55 ASP HB2  H  1   2.88 0.03 . 2 . . . . . . . . 5722 1 
      653 . 1 1 55 55 ASP HB3  H  1   2.67 0.03 . 2 . . . . . . . . 5722 1 
      654 . 1 1 55 55 ASP N    N 15 120.10 0.20 . 1 . . . . . . . . 5722 1 
      655 . 1 1 56 56 ARG C    C 13 176.65 0.40 . 1 . . . . . . . . 5722 1 
      656 . 1 1 56 56 ARG CA   C 13  55.86 0.40 . 1 . . . . . . . . 5722 1 
      657 . 1 1 56 56 ARG CB   C 13  31.68 0.40 . 1 . . . . . . . . 5722 1 
      658 . 1 1 56 56 ARG CD   C 13  43.00 0.40 . 1 . . . . . . . . 5722 1 
      659 . 1 1 56 56 ARG CG   C 13  27.12 0.40 . 1 . . . . . . . . 5722 1 
      660 . 1 1 56 56 ARG H    H  1   8.94 0.03 . 1 . . . . . . . . 5722 1 
      661 . 1 1 56 56 ARG HA   H  1   4.57 0.03 . 1 . . . . . . . . 5722 1 
      662 . 1 1 56 56 ARG HB2  H  1   1.82 0.03 . 2 . . . . . . . . 5722 1 
      663 . 1 1 56 56 ARG HB3  H  1   2.12 0.03 . 2 . . . . . . . . 5722 1 
      664 . 1 1 56 56 ARG HD2  H  1   3.31 0.03 . 2 . . . . . . . . 5722 1 
      665 . 1 1 56 56 ARG HD3  H  1   3.21 0.03 . 2 . . . . . . . . 5722 1 
      666 . 1 1 56 56 ARG HG2  H  1   1.74 0.03 . 2 . . . . . . . . 5722 1 
      667 . 1 1 56 56 ARG HG3  H  1   1.81 0.03 . 2 . . . . . . . . 5722 1 
      668 . 1 1 56 56 ARG N    N 15 126.71 0.20 . 1 . . . . . . . . 5722 1 
      669 . 1 1 57 57 ASN C    C 13 174.61 0.40 . 1 . . . . . . . . 5722 1 
      670 . 1 1 57 57 ASN CA   C 13  51.75 0.40 . 1 . . . . . . . . 5722 1 
      671 . 1 1 57 57 ASN CB   C 13  37.32 0.40 . 1 . . . . . . . . 5722 1 
      672 . 1 1 57 57 ASN H    H  1   8.03 0.03 . 1 . . . . . . . . 5722 1 
      673 . 1 1 57 57 ASN HA   H  1   4.89 0.03 . 1 . . . . . . . . 5722 1 
      674 . 1 1 57 57 ASN HB2  H  1   3.23 0.03 . 2 . . . . . . . . 5722 1 
      675 . 1 1 57 57 ASN HB3  H  1   2.69 0.03 . 2 . . . . . . . . 5722 1 
      676 . 1 1 57 57 ASN HD21 H  1   7.83 0.03 . 2 . . . . . . . . 5722 1 
      677 . 1 1 57 57 ASN HD22 H  1   6.68 0.03 . 2 . . . . . . . . 5722 1 
      678 . 1 1 57 57 ASN N    N 15 117.87 0.20 . 1 . . . . . . . . 5722 1 
      679 . 1 1 57 57 ASN ND2  N 15 112.53 0.03 . 1 . . . . . . . . 5722 1 
      680 . 1 1 58 58 ASP C    C 13 174.76 0.40 . 1 . . . . . . . . 5722 1 
      681 . 1 1 58 58 ASP CA   C 13  56.02 0.40 . 1 . . . . . . . . 5722 1 
      682 . 1 1 58 58 ASP CB   C 13  39.85 0.40 . 1 . . . . . . . . 5722 1 
      683 . 1 1 58 58 ASP H    H  1   8.05 0.03 . 1 . . . . . . . . 5722 1 
      684 . 1 1 58 58 ASP HA   H  1   4.39 0.03 . 1 . . . . . . . . 5722 1 
      685 . 1 1 58 58 ASP HB2  H  1   2.99 0.03 . 2 . . . . . . . . 5722 1 
      686 . 1 1 58 58 ASP HB3  H  1   2.55 0.03 . 2 . . . . . . . . 5722 1 
      687 . 1 1 58 58 ASP N    N 15 117.11 0.20 . 1 . . . . . . . . 5722 1 
      688 . 1 1 59 59 ASP C    C 13 177.27 0.40 . 1 . . . . . . . . 5722 1 
      689 . 1 1 59 59 ASP CA   C 13  52.72 0.40 . 1 . . . . . . . . 5722 1 
      690 . 1 1 59 59 ASP CB   C 13  40.78 0.40 . 1 . . . . . . . . 5722 1 
      691 . 1 1 59 59 ASP H    H  1   8.22 0.03 . 1 . . . . . . . . 5722 1 
      692 . 1 1 59 59 ASP HA   H  1   4.78 0.03 . 1 . . . . . . . . 5722 1 
      693 . 1 1 59 59 ASP HB2  H  1   3.11 0.03 . 2 . . . . . . . . 5722 1 
      694 . 1 1 59 59 ASP HB3  H  1   2.38 0.03 . 2 . . . . . . . . 5722 1 
      695 . 1 1 59 59 ASP N    N 15 117.66 0.20 . 1 . . . . . . . . 5722 1 
      696 . 1 1 60 60 ASN C    C 13 172.71 0.40 . 1 . . . . . . . . 5722 1 
      697 . 1 1 60 60 ASN CA   C 13  54.87 0.40 . 1 . . . . . . . . 5722 1 
      698 . 1 1 60 60 ASN CB   C 13  38.16 0.40 . 1 . . . . . . . . 5722 1 
      699 . 1 1 60 60 ASN H    H  1  10.03 0.03 . 1 . . . . . . . . 5722 1 
      700 . 1 1 60 60 ASN HA   H  1   3.95 0.03 . 1 . . . . . . . . 5722 1 
      701 . 1 1 60 60 ASN HB2  H  1   3.13 0.03 . 2 . . . . . . . . 5722 1 
      702 . 1 1 60 60 ASN HB3  H  1   2.97 0.03 . 2 . . . . . . . . 5722 1 
      703 . 1 1 60 60 ASN HD21 H  1   7.49 0.03 . 2 . . . . . . . . 5722 1 
      704 . 1 1 60 60 ASN HD22 H  1   6.95 0.03 . 2 . . . . . . . . 5722 1 
      705 . 1 1 60 60 ASN N    N 15 117.65 0.20 . 1 . . . . . . . . 5722 1 
      706 . 1 1 60 60 ASN ND2  N 15 112.58 0.03 . 1 . . . . . . . . 5722 1 
      707 . 1 1 61 61 GLU C    C 13 175.50 0.40 . 1 . . . . . . . . 5722 1 
      708 . 1 1 61 61 GLU CA   C 13  53.92 0.40 . 1 . . . . . . . . 5722 1 
      709 . 1 1 61 61 GLU CB   C 13  33.02 0.40 . 1 . . . . . . . . 5722 1 
      710 . 1 1 61 61 GLU CG   C 13  36.07 0.40 . 1 . . . . . . . . 5722 1 
      711 . 1 1 61 61 GLU H    H  1   8.04 0.03 . 1 . . . . . . . . 5722 1 
      712 . 1 1 61 61 GLU HA   H  1   4.91 0.03 . 1 . . . . . . . . 5722 1 
      713 . 1 1 61 61 GLU HB2  H  1   1.77 0.03 . 1 . . . . . . . . 5722 1 
      714 . 1 1 61 61 GLU HB3  H  1   1.77 0.03 . 1 . . . . . . . . 5722 1 
      715 . 1 1 61 61 GLU HG2  H  1   2.32 0.03 . 2 . . . . . . . . 5722 1 
      716 . 1 1 61 61 GLU HG3  H  1   2.02 0.03 . 2 . . . . . . . . 5722 1 
      717 . 1 1 61 61 GLU N    N 15 115.36 0.20 . 1 . . . . . . . . 5722 1 
      718 . 1 1 62 62 ILE C    C 13 175.88 0.40 . 1 . . . . . . . . 5722 1 
      719 . 1 1 62 62 ILE CA   C 13  58.89 0.40 . 1 . . . . . . . . 5722 1 
      720 . 1 1 62 62 ILE CB   C 13  38.04 0.40 . 1 . . . . . . . . 5722 1 
      721 . 1 1 62 62 ILE CD1  C 13  13.17 0.40 . 1 . . . . . . . . 5722 1 
      722 . 1 1 62 62 ILE CG1  C 13  26.92 0.40 . 1 . . . . . . . . 5722 1 
      723 . 1 1 62 62 ILE CG2  C 13  18.41 0.40 . 1 . . . . . . . . 5722 1 
      724 . 1 1 62 62 ILE H    H  1   9.67 0.03 . 1 . . . . . . . . 5722 1 
      725 . 1 1 62 62 ILE HA   H  1   5.25 0.03 . 1 . . . . . . . . 5722 1 
      726 . 1 1 62 62 ILE HB   H  1   2.26 0.03 . 1 . . . . . . . . 5722 1 
      727 . 1 1 62 62 ILE HD11 H  1   1.03 0.03 . 1 . . . . . . . . 5722 1 
      728 . 1 1 62 62 ILE HD12 H  1   1.03 0.03 . 1 . . . . . . . . 5722 1 
      729 . 1 1 62 62 ILE HD13 H  1   1.03 0.03 . 1 . . . . . . . . 5722 1 
      730 . 1 1 62 62 ILE HG12 H  1   1.28 0.03 . 2 . . . . . . . . 5722 1 
      731 . 1 1 62 62 ILE HG13 H  1   1.55 0.03 . 2 . . . . . . . . 5722 1 
      732 . 1 1 62 62 ILE HG21 H  1   1.16 0.03 . 1 . . . . . . . . 5722 1 
      733 . 1 1 62 62 ILE HG22 H  1   1.16 0.03 . 1 . . . . . . . . 5722 1 
      734 . 1 1 62 62 ILE HG23 H  1   1.16 0.03 . 1 . . . . . . . . 5722 1 
      735 . 1 1 62 62 ILE N    N 15 125.58 0.20 . 1 . . . . . . . . 5722 1 
      736 . 1 1 63 63 ASP C    C 13 175.73 0.40 . 1 . . . . . . . . 5722 1 
      737 . 1 1 63 63 ASP CA   C 13  52.29 0.40 . 1 . . . . . . . . 5722 1 
      738 . 1 1 63 63 ASP CB   C 13  41.73 0.40 . 1 . . . . . . . . 5722 1 
      739 . 1 1 63 63 ASP H    H  1   9.20 0.03 . 1 . . . . . . . . 5722 1 
      740 . 1 1 63 63 ASP HA   H  1   5.19 0.03 . 1 . . . . . . . . 5722 1 
      741 . 1 1 63 63 ASP HB2  H  1   3.39 0.03 . 2 . . . . . . . . 5722 1 
      742 . 1 1 63 63 ASP HB3  H  1   2.63 0.03 . 2 . . . . . . . . 5722 1 
      743 . 1 1 63 63 ASP N    N 15 129.28 0.20 . 1 . . . . . . . . 5722 1 
      744 . 1 1 64 64 GLU C    C 13 177.78 0.40 . 1 . . . . . . . . 5722 1 
      745 . 1 1 64 64 GLU CA   C 13  60.74 0.40 . 1 . . . . . . . . 5722 1 
      746 . 1 1 64 64 GLU CB   C 13  30.24 0.40 . 1 . . . . . . . . 5722 1 
      747 . 1 1 64 64 GLU CG   C 13  36.97 0.40 . 1 . . . . . . . . 5722 1 
      748 . 1 1 64 64 GLU H    H  1   8.30 0.03 . 1 . . . . . . . . 5722 1 
      749 . 1 1 64 64 GLU HA   H  1   2.96 0.03 . 1 . . . . . . . . 5722 1 
      750 . 1 1 64 64 GLU HB2  H  1   1.58 0.03 . 1 . . . . . . . . 5722 1 
      751 . 1 1 64 64 GLU HB3  H  1   1.58 0.03 . 1 . . . . . . . . 5722 1 
      752 . 1 1 64 64 GLU HG2  H  1   1.38 0.03 . 2 . . . . . . . . 5722 1 
      753 . 1 1 64 64 GLU HG3  H  1   1.59 0.03 . 2 . . . . . . . . 5722 1 
      754 . 1 1 64 64 GLU N    N 15 118.02 0.20 . 1 . . . . . . . . 5722 1 
      755 . 1 1 65 65 ASP C    C 13 179.65 0.40 . 1 . . . . . . . . 5722 1 
      756 . 1 1 65 65 ASP CA   C 13  57.80 0.40 . 1 . . . . . . . . 5722 1 
      757 . 1 1 65 65 ASP CB   C 13  41.58 0.40 . 1 . . . . . . . . 5722 1 
      758 . 1 1 65 65 ASP H    H  1   7.89 0.03 . 1 . . . . . . . . 5722 1 
      759 . 1 1 65 65 ASP HA   H  1   4.33 0.03 . 1 . . . . . . . . 5722 1 
      760 . 1 1 65 65 ASP HB2  H  1   2.70 0.03 . 2 . . . . . . . . 5722 1 
      761 . 1 1 65 65 ASP HB3  H  1   2.65 0.03 . 2 . . . . . . . . 5722 1 
      762 . 1 1 65 65 ASP N    N 15 118.84 0.20 . 1 . . . . . . . . 5722 1 
      763 . 1 1 66 66 GLU C    C 13 180.03 0.40 . 1 . . . . . . . . 5722 1 
      764 . 1 1 66 66 GLU CA   C 13  58.77 0.40 . 1 . . . . . . . . 5722 1 
      765 . 1 1 66 66 GLU CB   C 13  30.22 0.40 . 1 . . . . . . . . 5722 1 
      766 . 1 1 66 66 GLU CG   C 13  37.87 0.40 . 1 . . . . . . . . 5722 1 
      767 . 1 1 66 66 GLU H    H  1   8.94 0.03 . 1 . . . . . . . . 5722 1 
      768 . 1 1 66 66 GLU HA   H  1   3.95 0.03 . 1 . . . . . . . . 5722 1 
      769 . 1 1 66 66 GLU HB2  H  1   2.13 0.03 . 2 . . . . . . . . 5722 1 
      770 . 1 1 66 66 GLU HB3  H  1   2.51 0.03 . 2 . . . . . . . . 5722 1 
      771 . 1 1 66 66 GLU HG2  H  1   2.28 0.03 . 2 . . . . . . . . 5722 1 
      772 . 1 1 66 66 GLU HG3  H  1   3.01 0.03 . 2 . . . . . . . . 5722 1 
      773 . 1 1 66 66 GLU N    N 15 121.44 0.20 . 1 . . . . . . . . 5722 1 
      774 . 1 1 67 67 PHE C    C 13 176.63 0.40 . 1 . . . . . . . . 5722 1 
      775 . 1 1 67 67 PHE CA   C 13  61.32 0.40 . 1 . . . . . . . . 5722 1 
      776 . 1 1 67 67 PHE CB   C 13  40.28 0.40 . 1 . . . . . . . . 5722 1 
      777 . 1 1 67 67 PHE H    H  1   8.95 0.03 . 1 . . . . . . . . 5722 1 
      778 . 1 1 67 67 PHE HA   H  1   3.85 0.03 . 1 . . . . . . . . 5722 1 
      779 . 1 1 67 67 PHE HB2  H  1   3.11 0.03 . 1 . . . . . . . . 5722 1 
      780 . 1 1 67 67 PHE HB3  H  1   3.11 0.03 . 1 . . . . . . . . 5722 1 
      781 . 1 1 67 67 PHE HD1  H  1   6.72 0.03 . 3 . . . . . . . . 5722 1 
      782 . 1 1 67 67 PHE HE1  H  1   7.10 0.03 . 3 . . . . . . . . 5722 1 
      783 . 1 1 67 67 PHE HZ   H  1   7.06 0.03 . 1 . . . . . . . . 5722 1 
      784 . 1 1 67 67 PHE N    N 15 123.05 0.20 . 1 . . . . . . . . 5722 1 
      785 . 1 1 68 68 ILE C    C 13 177.72 0.40 . 1 . . . . . . . . 5722 1 
      786 . 1 1 68 68 ILE CA   C 13  66.30 0.40 . 1 . . . . . . . . 5722 1 
      787 . 1 1 68 68 ILE CB   C 13  38.10 0.40 . 1 . . . . . . . . 5722 1 
      788 . 1 1 68 68 ILE CD1  C 13  14.01 0.40 . 1 . . . . . . . . 5722 1 
      789 . 1 1 68 68 ILE CG1  C 13  30.42 0.40 . 1 . . . . . . . . 5722 1 
      790 . 1 1 68 68 ILE CG2  C 13  17.57 0.40 . 1 . . . . . . . . 5722 1 
      791 . 1 1 68 68 ILE H    H  1   8.73 0.03 . 1 . . . . . . . . 5722 1 
      792 . 1 1 68 68 ILE HA   H  1   3.33 0.03 . 1 . . . . . . . . 5722 1 
      793 . 1 1 68 68 ILE HB   H  1   1.93 0.03 . 1 . . . . . . . . 5722 1 
      794 . 1 1 68 68 ILE HD11 H  1   0.85 0.03 . 1 . . . . . . . . 5722 1 
      795 . 1 1 68 68 ILE HD12 H  1   0.85 0.03 . 1 . . . . . . . . 5722 1 
      796 . 1 1 68 68 ILE HD13 H  1   0.85 0.03 . 1 . . . . . . . . 5722 1 
      797 . 1 1 68 68 ILE HG12 H  1   0.90 0.03 . 2 . . . . . . . . 5722 1 
      798 . 1 1 68 68 ILE HG13 H  1   1.91 0.03 . 2 . . . . . . . . 5722 1 
      799 . 1 1 68 68 ILE HG21 H  1   0.84 0.03 . 1 . . . . . . . . 5722 1 
      800 . 1 1 68 68 ILE HG22 H  1   0.84 0.03 . 1 . . . . . . . . 5722 1 
      801 . 1 1 68 68 ILE HG23 H  1   0.84 0.03 . 1 . . . . . . . . 5722 1 
      802 . 1 1 68 68 ILE N    N 15 120.93 0.20 . 1 . . . . . . . . 5722 1 
      803 . 1 1 69 69 ARG C    C 13 179.59 0.40 . 1 . . . . . . . . 5722 1 
      804 . 1 1 69 69 ARG CA   C 13  59.72 0.40 . 1 . . . . . . . . 5722 1 
      805 . 1 1 69 69 ARG CB   C 13  30.02 0.40 . 1 . . . . . . . . 5722 1 
      806 . 1 1 69 69 ARG CD   C 13  43.56 0.40 . 1 . . . . . . . . 5722 1 
      807 . 1 1 69 69 ARG CG   C 13  28.28 0.40 . 1 . . . . . . . . 5722 1 
      808 . 1 1 69 69 ARG H    H  1   7.74 0.03 . 1 . . . . . . . . 5722 1 
      809 . 1 1 69 69 ARG HA   H  1   3.86 0.03 . 1 . . . . . . . . 5722 1 
      810 . 1 1 69 69 ARG HB2  H  1   1.78 0.03 . 1 . . . . . . . . 5722 1 
      811 . 1 1 69 69 ARG HB3  H  1   1.78 0.03 . 1 . . . . . . . . 5722 1 
      812 . 1 1 69 69 ARG HD2  H  1   3.07 0.03 . 1 . . . . . . . . 5722 1 
      813 . 1 1 69 69 ARG HD3  H  1   3.07 0.03 . 1 . . . . . . . . 5722 1 
      814 . 1 1 69 69 ARG HG2  H  1   1.49 0.03 . 1 . . . . . . . . 5722 1 
      815 . 1 1 69 69 ARG HG3  H  1   1.49 0.03 . 1 . . . . . . . . 5722 1 
      816 . 1 1 69 69 ARG N    N 15 116.71 0.20 . 1 . . . . . . . . 5722 1 
      817 . 1 1 70 70 ILE C    C 13 177.93 0.40 . 1 . . . . . . . . 5722 1 
      818 . 1 1 70 70 ILE CA   C 13  61.42 0.40 . 1 . . . . . . . . 5722 1 
      819 . 1 1 70 70 ILE CB   C 13  37.44 0.40 . 1 . . . . . . . . 5722 1 
      820 . 1 1 70 70 ILE CD1  C 13  13.45 0.40 . 1 . . . . . . . . 5722 1 
      821 . 1 1 70 70 ILE CG1  C 13  28.76 0.40 . 1 . . . . . . . . 5722 1 
      822 . 1 1 70 70 ILE CG2  C 13  18.12 0.40 . 1 . . . . . . . . 5722 1 
      823 . 1 1 70 70 ILE H    H  1   7.59 0.03 . 1 . . . . . . . . 5722 1 
      824 . 1 1 70 70 ILE HA   H  1   4.12 0.03 . 1 . . . . . . . . 5722 1 
      825 . 1 1 70 70 ILE HB   H  1   1.60 0.03 . 1 . . . . . . . . 5722 1 
      826 . 1 1 70 70 ILE HD11 H  1   0.58 0.03 . 1 . . . . . . . . 5722 1 
      827 . 1 1 70 70 ILE HD12 H  1   0.58 0.03 . 1 . . . . . . . . 5722 1 
      828 . 1 1 70 70 ILE HD13 H  1   0.58 0.03 . 1 . . . . . . . . 5722 1 
      829 . 1 1 70 70 ILE HG12 H  1   0.99 0.03 . 2 . . . . . . . . 5722 1 
      830 . 1 1 70 70 ILE HG13 H  1   0.94 0.03 . 2 . . . . . . . . 5722 1 
      831 . 1 1 70 70 ILE HG21 H  1   0.35 0.03 . 1 . . . . . . . . 5722 1 
      832 . 1 1 70 70 ILE HG22 H  1   0.35 0.03 . 1 . . . . . . . . 5722 1 
      833 . 1 1 70 70 ILE HG23 H  1   0.35 0.03 . 1 . . . . . . . . 5722 1 
      834 . 1 1 70 70 ILE N    N 15 118.23 0.20 . 1 . . . . . . . . 5722 1 
      835 . 1 1 71 71 MET C    C 13 179.13 0.40 . 1 . . . . . . . . 5722 1 
      836 . 1 1 71 71 MET CA   C 13  57.02 0.40 . 1 . . . . . . . . 5722 1 
      837 . 1 1 71 71 MET CB   C 13  32.72 0.40 . 1 . . . . . . . . 5722 1 
      838 . 1 1 71 71 MET CE   C 13  19.30 0.40 . 1 . . . . . . . . 5722 1 
      839 . 1 1 71 71 MET CG   C 13  33.12 0.40 . 1 . . . . . . . . 5722 1 
      840 . 1 1 71 71 MET H    H  1   8.00 0.03 . 1 . . . . . . . . 5722 1 
      841 . 1 1 71 71 MET HA   H  1   4.17 0.03 . 1 . . . . . . . . 5722 1 
      842 . 1 1 71 71 MET HB2  H  1   1.61 0.03 . 2 . . . . . . . . 5722 1 
      843 . 1 1 71 71 MET HB3  H  1   1.76 0.03 . 2 . . . . . . . . 5722 1 
      844 . 1 1 71 71 MET HE1  H  1   1.26 0.03 . 1 . . . . . . . . 5722 1 
      845 . 1 1 71 71 MET HE2  H  1   1.26 0.03 . 1 . . . . . . . . 5722 1 
      846 . 1 1 71 71 MET HE3  H  1   1.26 0.03 . 1 . . . . . . . . 5722 1 
      847 . 1 1 71 71 MET HG2  H  1   1.36 0.03 . 2 . . . . . . . . 5722 1 
      848 . 1 1 71 71 MET HG3  H  1   1.81 0.03 . 2 . . . . . . . . 5722 1 
      849 . 1 1 71 71 MET N    N 15 123.60 0.20 . 1 . . . . . . . . 5722 1 
      850 . 1 1 72 72 LYS C    C 13 178.82 0.40 . 1 . . . . . . . . 5722 1 
      851 . 1 1 72 72 LYS CA   C 13  58.44 0.40 . 1 . . . . . . . . 5722 1 
      852 . 1 1 72 72 LYS CB   C 13  32.04 0.40 . 1 . . . . . . . . 5722 1 
      853 . 1 1 72 72 LYS CD   C 13  28.94 0.40 . 1 . . . . . . . . 5722 1 
      854 . 1 1 72 72 LYS CE   C 13  41.68 0.40 . 1 . . . . . . . . 5722 1 
      855 . 1 1 72 72 LYS CG   C 13  25.43 0.40 . 1 . . . . . . . . 5722 1 
      856 . 1 1 72 72 LYS H    H  1   8.14 0.03 . 1 . . . . . . . . 5722 1 
      857 . 1 1 72 72 LYS HA   H  1   4.18 0.03 . 1 . . . . . . . . 5722 1 
      858 . 1 1 72 72 LYS HB2  H  1   1.84 0.03 . 1 . . . . . . . . 5722 1 
      859 . 1 1 72 72 LYS HB3  H  1   1.84 0.03 . 1 . . . . . . . . 5722 1 
      860 . 1 1 72 72 LYS HD2  H  1   1.59 0.03 . 1 . . . . . . . . 5722 1 
      861 . 1 1 72 72 LYS HD3  H  1   1.59 0.03 . 1 . . . . . . . . 5722 1 
      862 . 1 1 72 72 LYS HE2  H  1   2.84 0.03 . 1 . . . . . . . . 5722 1 
      863 . 1 1 72 72 LYS HE3  H  1   2.84 0.03 . 1 . . . . . . . . 5722 1 
      864 . 1 1 72 72 LYS HG2  H  1   1.55 0.03 . 2 . . . . . . . . 5722 1 
      865 . 1 1 72 72 LYS HG3  H  1   1.39 0.03 . 2 . . . . . . . . 5722 1 
      866 . 1 1 72 72 LYS N    N 15 119.48 0.20 . 1 . . . . . . . . 5722 1 
      867 . 1 1 73 73 LYS C    C 13 177.78 0.40 . 1 . . . . . . . . 5722 1 
      868 . 1 1 73 73 LYS CA   C 13  58.30 0.40 . 1 . . . . . . . . 5722 1 
      869 . 1 1 73 73 LYS CB   C 13  32.90 0.40 . 1 . . . . . . . . 5722 1 
      870 . 1 1 73 73 LYS CD   C 13  29.33 0.40 . 1 . . . . . . . . 5722 1 
      871 . 1 1 73 73 LYS CE   C 13  41.91 0.40 . 1 . . . . . . . . 5722 1 
      872 . 1 1 73 73 LYS CG   C 13  25.01 0.40 . 1 . . . . . . . . 5722 1 
      873 . 1 1 73 73 LYS H    H  1   7.83 0.03 . 1 . . . . . . . . 5722 1 
      874 . 1 1 73 73 LYS HA   H  1   4.22 0.03 . 1 . . . . . . . . 5722 1 
      875 . 1 1 73 73 LYS HB2  H  1   1.96 0.03 . 1 . . . . . . . . 5722 1 
      876 . 1 1 73 73 LYS HB3  H  1   1.96 0.03 . 1 . . . . . . . . 5722 1 
      877 . 1 1 73 73 LYS HD2  H  1   1.68 0.03 . 1 . . . . . . . . 5722 1 
      878 . 1 1 73 73 LYS HD3  H  1   1.68 0.03 . 1 . . . . . . . . 5722 1 
      879 . 1 1 73 73 LYS HE2  H  1   2.97 0.03 . 1 . . . . . . . . 5722 1 
      880 . 1 1 73 73 LYS HE3  H  1   2.97 0.03 . 1 . . . . . . . . 5722 1 
      881 . 1 1 73 73 LYS HG2  H  1   1.57 0.03 . 2 . . . . . . . . 5722 1 
      882 . 1 1 73 73 LYS HG3  H  1   1.48 0.03 . 2 . . . . . . . . 5722 1 
      883 . 1 1 73 73 LYS N    N 15 120.16 0.20 . 1 . . . . . . . . 5722 1 
      884 . 1 1 74 74 THR C    C 13 174.75 0.40 . 1 . . . . . . . . 5722 1 
      885 . 1 1 74 74 THR CA   C 13  62.67 0.40 . 1 . . . . . . . . 5722 1 
      886 . 1 1 74 74 THR CB   C 13  70.62 0.40 . 1 . . . . . . . . 5722 1 
      887 . 1 1 74 74 THR CG2  C 13  21.82 0.40 . 1 . . . . . . . . 5722 1 
      888 . 1 1 74 74 THR H    H  1   7.73 0.03 . 1 . . . . . . . . 5722 1 
      889 . 1 1 74 74 THR HA   H  1   4.37 0.03 . 1 . . . . . . . . 5722 1 
      890 . 1 1 74 74 THR HB   H  1   4.31 0.03 . 1 . . . . . . . . 5722 1 
      891 . 1 1 74 74 THR HG21 H  1   1.33 0.03 . 1 . . . . . . . . 5722 1 
      892 . 1 1 74 74 THR HG22 H  1   1.33 0.03 . 1 . . . . . . . . 5722 1 
      893 . 1 1 74 74 THR HG23 H  1   1.33 0.03 . 1 . . . . . . . . 5722 1 
      894 . 1 1 74 74 THR N    N 15 110.58 0.20 . 1 . . . . . . . . 5722 1 
      895 . 1 1 75 75 SER C    C 13 174.44 0.40 . 1 . . . . . . . . 5722 1 
      896 . 1 1 75 75 SER CA   C 13  59.14 0.40 . 1 . . . . . . . . 5722 1 
      897 . 1 1 75 75 SER CB   C 13  63.07 0.40 . 1 . . . . . . . . 5722 1 
      898 . 1 1 75 75 SER H    H  1   8.06 0.03 . 1 . . . . . . . . 5722 1 
      899 . 1 1 75 75 SER HA   H  1   4.36 0.03 . 1 . . . . . . . . 5722 1 
      900 . 1 1 75 75 SER HB2  H  1   3.98 0.03 . 1 . . . . . . . . 5722 1 
      901 . 1 1 75 75 SER HB3  H  1   3.98 0.03 . 1 . . . . . . . . 5722 1 
      902 . 1 1 75 75 SER N    N 15 115.55 0.20 . 1 . . . . . . . . 5722 1 
      903 . 1 1 76 76 LEU C    C 13 176.05 0.40 . 1 . . . . . . . . 5722 1 
      904 . 1 1 76 76 LEU CA   C 13  56.12 0.40 . 1 . . . . . . . . 5722 1 
      905 . 1 1 76 76 LEU CB   C 13  42.52 0.40 . 1 . . . . . . . . 5722 1 
      906 . 1 1 76 76 LEU CD1  C 13  25.51 0.40 . 1 . . . . . . . . 5722 1 
      907 . 1 1 76 76 LEU CD2  C 13  23.58 0.40 . 1 . . . . . . . . 5722 1 
      908 . 1 1 76 76 LEU CG   C 13  27.12 0.40 . 1 . . . . . . . . 5722 1 
      909 . 1 1 76 76 LEU H    H  1   7.88 0.03 . 1 . . . . . . . . 5722 1 
      910 . 1 1 76 76 LEU HA   H  1   4.10 0.03 . 1 . . . . . . . . 5722 1 
      911 . 1 1 76 76 LEU HB2  H  1   1.62 0.03 . 2 . . . . . . . . 5722 1 
      912 . 1 1 76 76 LEU HB3  H  1   1.25 0.03 . 2 . . . . . . . . 5722 1 
      913 . 1 1 76 76 LEU HD11 H  1   0.84 0.03 . 1 . . . . . . . . 5722 1 
      914 . 1 1 76 76 LEU HD12 H  1   0.84 0.03 . 1 . . . . . . . . 5722 1 
      915 . 1 1 76 76 LEU HD13 H  1   0.84 0.03 . 1 . . . . . . . . 5722 1 
      916 . 1 1 76 76 LEU HD21 H  1   0.76 0.03 . 1 . . . . . . . . 5722 1 
      917 . 1 1 76 76 LEU HD22 H  1   0.76 0.03 . 1 . . . . . . . . 5722 1 
      918 . 1 1 76 76 LEU HD23 H  1   0.76 0.03 . 1 . . . . . . . . 5722 1 
      919 . 1 1 76 76 LEU HG   H  1   1.53 0.03 . 1 . . . . . . . . 5722 1 
      920 . 1 1 76 76 LEU N    N 15 122.31 0.20 . 1 . . . . . . . . 5722 1 
      921 . 1 1 77 77 PHE CA   C 13  59.11 0.40 . 1 . . . . . . . . 5722 1 
      922 . 1 1 77 77 PHE CB   C 13  41.82 0.40 . 1 . . . . . . . . 5722 1 
      923 . 1 1 77 77 PHE H    H  1   7.51 0.03 . 1 . . . . . . . . 5722 1 
      924 . 1 1 77 77 PHE HA   H  1   4.32 0.03 . 1 . . . . . . . . 5722 1 
      925 . 1 1 77 77 PHE HB2  H  1   3.13 0.03 . 2 . . . . . . . . 5722 1 
      926 . 1 1 77 77 PHE HB3  H  1   2.59 0.03 . 2 . . . . . . . . 5722 1 
      927 . 1 1 77 77 PHE HD1  H  1   7.15 0.03 . 3 . . . . . . . . 5722 1 
      928 . 1 1 77 77 PHE HE1  H  1   7.28 0.03 . 3 . . . . . . . . 5722 1 
      929 . 1 1 77 77 PHE HZ   H  1   7.20 0.03 . 1 . . . . . . . . 5722 1 
      930 . 1 1 77 77 PHE N    N 15 122.74 0.20 . 1 . . . . . . . . 5722 1 

   stop_

save_


save_shift_set_2
   _Assigned_chem_shift_list.Sf_category                   assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                  shift_set_2
   _Assigned_chem_shift_list.Entry_ID                      5722
   _Assigned_chem_shift_list.ID                            2
   _Assigned_chem_shift_list.Sample_condition_list_ID      1
   _Assigned_chem_shift_list.Sample_condition_list_label  $Ex-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 . 5722 2 

   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 . 2 2  1  1 LYS HA   H 1  3.76 0.03 . 1 . . . . . . . . 5722 2 
        2 . 2 2  1  1 LYS HB2  H 1  1.90 0.03 . 1 . . . . . . . . 5722 2 
        3 . 2 2  1  1 LYS HB3  H 1  1.90 0.03 . 1 . . . . . . . . 5722 2 
        4 . 2 2  1  1 LYS HD2  H 1  1.72 0.03 . 1 . . . . . . . . 5722 2 
        5 . 2 2  1  1 LYS HD3  H 1  1.72 0.03 . 1 . . . . . . . . 5722 2 
        6 . 2 2  1  1 LYS HE2  H 1  3.03 0.03 . 1 . . . . . . . . 5722 2 
        7 . 2 2  1  1 LYS HE3  H 1  3.03 0.03 . 1 . . . . . . . . 5722 2 
        8 . 2 2  1  1 LYS HG2  H 1  1.50 0.03 . 2 . . . . . . . . 5722 2 
        9 . 2 2  1  1 LYS HG3  H 1  1.44 0.03 . 2 . . . . . . . . 5722 2 
       10 . 2 2  2  2 LYS HA   H 1  4.33 0.03 . 1 . . . . . . . . 5722 2 
       11 . 2 2  2  2 LYS HB2  H 1  1.78 0.03 . 2 . . . . . . . . 5722 2 
       12 . 2 2  2  2 LYS HB3  H 1  1.83 0.03 . 2 . . . . . . . . 5722 2 
       13 . 2 2  2  2 LYS HD2  H 1  1.69 0.03 . 1 . . . . . . . . 5722 2 
       14 . 2 2  2  2 LYS HD3  H 1  1.69 0.03 . 1 . . . . . . . . 5722 2 
       15 . 2 2  2  2 LYS HE2  H 1  3.00 0.03 . 1 . . . . . . . . 5722 2 
       16 . 2 2  2  2 LYS HE3  H 1  3.00 0.03 . 1 . . . . . . . . 5722 2 
       17 . 2 2  2  2 LYS HG2  H 1  1.45 0.03 . 1 . . . . . . . . 5722 2 
       18 . 2 2  2  2 LYS HG3  H 1  1.45 0.03 . 1 . . . . . . . . 5722 2 
       19 . 2 2  3  3 ARG H    H 1  8.57 0.03 . 1 . . . . . . . . 5722 2 
       20 . 2 2  3  3 ARG HA   H 1  4.27 0.03 . 1 . . . . . . . . 5722 2 
       21 . 2 2  3  3 ARG HB2  H 1  1.80 0.03 . 1 . . . . . . . . 5722 2 
       22 . 2 2  3  3 ARG HB3  H 1  1.80 0.03 . 1 . . . . . . . . 5722 2 
       23 . 2 2  3  3 ARG HD2  H 1  3.19 0.03 . 1 . . . . . . . . 5722 2 
       24 . 2 2  3  3 ARG HD3  H 1  3.19 0.03 . 1 . . . . . . . . 5722 2 
       25 . 2 2  3  3 ARG HG2  H 1  1.66 0.03 . 2 . . . . . . . . 5722 2 
       26 . 2 2  3  3 ARG HG3  H 1  1.60 0.03 . 2 . . . . . . . . 5722 2 
       27 . 2 2  4  4 GLU H    H 1  8.64 0.03 . 1 . . . . . . . . 5722 2 
       28 . 2 2  4  4 GLU HA   H 1  4.29 0.03 . 1 . . . . . . . . 5722 2 
       29 . 2 2  4  4 GLU HB2  H 1  2.05 0.03 . 2 . . . . . . . . 5722 2 
       30 . 2 2  4  4 GLU HB3  H 1  1.92 0.03 . 2 . . . . . . . . 5722 2 
       31 . 2 2  4  4 GLU HG2  H 1  2.28 0.03 . 1 . . . . . . . . 5722 2 
       32 . 2 2  4  4 GLU HG3  H 1  2.28 0.03 . 1 . . . . . . . . 5722 2 
       33 . 2 2  5  5 LEU H    H 1  8.28 0.03 . 1 . . . . . . . . 5722 2 
       34 . 2 2  5  5 LEU HA   H 1  4.34 0.03 . 1 . . . . . . . . 5722 2 
       35 . 2 2  5  5 LEU HB2  H 1  1.69 0.03 . 1 . . . . . . . . 5722 2 
       36 . 2 2  5  5 LEU HB3  H 1  1.69 0.03 . 1 . . . . . . . . 5722 2 
       37 . 2 2  5  5 LEU HD11 H 1  0.88 0.03 . 2 . . . . . . . . 5722 2 
       38 . 2 2  5  5 LEU HD12 H 1  0.88 0.03 . 2 . . . . . . . . 5722 2 
       39 . 2 2  5  5 LEU HD13 H 1  0.88 0.03 . 2 . . . . . . . . 5722 2 
       40 . 2 2  5  5 LEU HD21 H 1  0.93 0.03 . 2 . . . . . . . . 5722 2 
       41 . 2 2  5  5 LEU HD22 H 1  0.93 0.03 . 2 . . . . . . . . 5722 2 
       42 . 2 2  5  5 LEU HD23 H 1  0.93 0.03 . 2 . . . . . . . . 5722 2 
       43 . 2 2  5  5 LEU HG   H 1  1.62 0.03 . 1 . . . . . . . . 5722 2 
       44 . 2 2  6  6 ILE H    H 1  8.16 0.03 . 1 . . . . . . . . 5722 2 
       45 . 2 2  6  6 ILE HA   H 1  4.04 0.03 . 1 . . . . . . . . 5722 2 
       46 . 2 2  6  6 ILE HB   H 1  1.90 0.03 . 1 . . . . . . . . 5722 2 
       47 . 2 2  6  6 ILE HD11 H 1  0.83 0.03 . 1 . . . . . . . . 5722 2 
       48 . 2 2  6  6 ILE HD12 H 1  0.83 0.03 . 1 . . . . . . . . 5722 2 
       49 . 2 2  6  6 ILE HD13 H 1  0.83 0.03 . 1 . . . . . . . . 5722 2 
       50 . 2 2  6  6 ILE HG12 H 1  1.49 0.03 . 2 . . . . . . . . 5722 2 
       51 . 2 2  6  6 ILE HG13 H 1  1.19 0.03 . 2 . . . . . . . . 5722 2 
       52 . 2 2  6  6 ILE HG21 H 1  0.93 0.03 . 1 . . . . . . . . 5722 2 
       53 . 2 2  6  6 ILE HG22 H 1  0.93 0.03 . 1 . . . . . . . . 5722 2 
       54 . 2 2  6  6 ILE HG23 H 1  0.93 0.03 . 1 . . . . . . . . 5722 2 
       55 . 2 2  7  7 GLU H    H 1  8.64 0.03 . 1 . . . . . . . . 5722 2 
       56 . 2 2  7  7 GLU HA   H 1  4.23 0.03 . 1 . . . . . . . . 5722 2 
       57 . 2 2  7  7 GLU HB2  H 1  1.97 0.03 . 2 . . . . . . . . 5722 2 
       58 . 2 2  7  7 GLU HB3  H 1  2.02 0.03 . 2 . . . . . . . . 5722 2 
       59 . 2 2  7  7 GLU HG2  H 1  2.23 0.03 . 1 . . . . . . . . 5722 2 
       60 . 2 2  7  7 GLU HG3  H 1  2.23 0.03 . 1 . . . . . . . . 5722 2 
       61 . 2 2  8  8 SER H    H 1  8.24 0.03 . 1 . . . . . . . . 5722 2 
       62 . 2 2  8  8 SER HA   H 1  4.55 0.03 . 1 . . . . . . . . 5722 2 
       63 . 2 2  8  8 SER HB2  H 1  3.91 0.03 . 2 . . . . . . . . 5722 2 
       64 . 2 2  8  8 SER HB3  H 1  4.21 0.03 . 2 . . . . . . . . 5722 2 
       65 . 2 2  9  9 LYS HA   H 1  3.91 0.03 . 1 . . . . . . . . 5722 2 
       66 . 2 2  9  9 LYS HB2  H 1  1.84 0.03 . 1 . . . . . . . . 5722 2 
       67 . 2 2  9  9 LYS HB3  H 1  1.84 0.03 . 1 . . . . . . . . 5722 2 
       68 . 2 2  9  9 LYS HD2  H 1  1.70 0.03 . 1 . . . . . . . . 5722 2 
       69 . 2 2  9  9 LYS HD3  H 1  1.70 0.03 . 1 . . . . . . . . 5722 2 
       70 . 2 2  9  9 LYS HE2  H 1  3.01 0.03 . 1 . . . . . . . . 5722 2 
       71 . 2 2  9  9 LYS HE3  H 1  3.01 0.03 . 1 . . . . . . . . 5722 2 
       72 . 2 2  9  9 LYS HG2  H 1  1.44 0.03 . 1 . . . . . . . . 5722 2 
       73 . 2 2  9  9 LYS HG3  H 1  1.44 0.03 . 1 . . . . . . . . 5722 2 
       74 . 2 2 10 10 TRP H    H 1  7.87 0.03 . 1 . . . . . . . . 5722 2 
       75 . 2 2 10 10 TRP HA   H 1  4.09 0.03 . 1 . . . . . . . . 5722 2 
       76 . 2 2 10 10 TRP HB2  H 1  3.06 0.03 . 2 . . . . . . . . 5722 2 
       77 . 2 2 10 10 TRP HB3  H 1  3.12 0.03 . 2 . . . . . . . . 5722 2 
       78 . 2 2 10 10 TRP HD1  H 1  7.38 0.03 . 1 . . . . . . . . 5722 2 
       79 . 2 2 10 10 TRP HE1  H 1 10.57 0.03 . 1 . . . . . . . . 5722 2 
       80 . 2 2 10 10 TRP HE3  H 1  7.26 0.03 . 1 . . . . . . . . 5722 2 
       81 . 2 2 10 10 TRP HH2  H 1  6.72 0.03 . 1 . . . . . . . . 5722 2 
       82 . 2 2 10 10 TRP HZ2  H 1  7.09 0.03 . 1 . . . . . . . . 5722 2 
       83 . 2 2 10 10 TRP HZ3  H 1  6.31 0.03 . 1 . . . . . . . . 5722 2 
       84 . 2 2 11 11 HIS H    H 1  8.16 0.03 . 1 . . . . . . . . 5722 2 
       85 . 2 2 11 11 HIS HA   H 1  4.19 0.03 . 1 . . . . . . . . 5722 2 
       86 . 2 2 11 11 HIS HB2  H 1  3.35 0.03 . 1 . . . . . . . . 5722 2 
       87 . 2 2 11 11 HIS HB3  H 1  3.35 0.03 . 1 . . . . . . . . 5722 2 
       88 . 2 2 11 11 HIS HE1  H 1  7.78 0.03 . 1 . . . . . . . . 5722 2 
       89 . 2 2 12 12 ARG H    H 1  7.70 0.03 . 1 . . . . . . . . 5722 2 
       90 . 2 2 12 12 ARG HA   H 1  4.12 0.03 . 1 . . . . . . . . 5722 2 
       91 . 2 2 12 12 ARG HB2  H 1  1.92 0.03 . 1 . . . . . . . . 5722 2 
       92 . 2 2 12 12 ARG HB3  H 1  1.92 0.03 . 1 . . . . . . . . 5722 2 
       93 . 2 2 12 12 ARG HG2  H 1  1.70 0.03 . 2 . . . . . . . . 5722 2 
       94 . 2 2 12 12 ARG HG3  H 1  1.77 0.03 . 2 . . . . . . . . 5722 2 
       95 . 2 2 13 13 LEU H    H 1  7.30 0.03 . 1 . . . . . . . . 5722 2 
       96 . 2 2 13 13 LEU HA   H 1  4.38 0.03 . 1 . . . . . . . . 5722 2 
       97 . 2 2 13 13 LEU HB2  H 1  1.92 0.03 . 1 . . . . . . . . 5722 2 
       98 . 2 2 13 13 LEU HB3  H 1  1.92 0.03 . 1 . . . . . . . . 5722 2 
       99 . 2 2 13 13 LEU HD11 H 1  0.68 0.03 . 1 . . . . . . . . 5722 2 
      100 . 2 2 13 13 LEU HD12 H 1  0.68 0.03 . 1 . . . . . . . . 5722 2 
      101 . 2 2 13 13 LEU HD13 H 1  0.68 0.03 . 1 . . . . . . . . 5722 2 
      102 . 2 2 13 13 LEU HD21 H 1  0.68 0.03 . 1 . . . . . . . . 5722 2 
      103 . 2 2 13 13 LEU HD22 H 1  0.68 0.03 . 1 . . . . . . . . 5722 2 
      104 . 2 2 13 13 LEU HD23 H 1  0.68 0.03 . 1 . . . . . . . . 5722 2 
      105 . 2 2 13 13 LEU HG   H 1  1.70 0.03 . 1 . . . . . . . . 5722 2 
      106 . 2 2 14 14 LEU H    H 1  7.74 0.03 . 1 . . . . . . . . 5722 2 
      107 . 2 2 14 14 LEU HA   H 1  4.29 0.03 . 1 . . . . . . . . 5722 2 
      108 . 2 2 14 14 LEU HB2  H 1  1.55 0.03 . 2 . . . . . . . . 5722 2 
      109 . 2 2 14 14 LEU HB3  H 1  1.09 0.03 . 2 . . . . . . . . 5722 2 
      110 . 2 2 14 14 LEU HD11 H 1  1.02 0.03 . 2 . . . . . . . . 5722 2 
      111 . 2 2 14 14 LEU HD12 H 1  1.02 0.03 . 2 . . . . . . . . 5722 2 
      112 . 2 2 14 14 LEU HD13 H 1  1.02 0.03 . 2 . . . . . . . . 5722 2 
      113 . 2 2 14 14 LEU HD21 H 1  0.96 0.03 . 2 . . . . . . . . 5722 2 
      114 . 2 2 14 14 LEU HD22 H 1  0.96 0.03 . 2 . . . . . . . . 5722 2 
      115 . 2 2 14 14 LEU HD23 H 1  0.96 0.03 . 2 . . . . . . . . 5722 2 
      116 . 2 2 14 14 LEU HG   H 1  1.90 0.03 . 1 . . . . . . . . 5722 2 
      117 . 2 2 15 15 PHE H    H 1  8.09 0.03 . 1 . . . . . . . . 5722 2 
      118 . 2 2 15 15 PHE HA   H 1  4.67 0.03 . 1 . . . . . . . . 5722 2 
      119 . 2 2 15 15 PHE HB2  H 1  2.72 0.03 . 2 . . . . . . . . 5722 2 
      120 . 2 2 15 15 PHE HB3  H 1  3.15 0.03 . 2 . . . . . . . . 5722 2 
      121 . 2 2 15 15 PHE HD1  H 1  7.13 0.03 . 3 . . . . . . . . 5722 2 
      122 . 2 2 15 15 PHE HE1  H 1  7.20 0.03 . 3 . . . . . . . . 5722 2 
      123 . 2 2 15 15 PHE HZ   H 1  7.05 0.03 . 1 . . . . . . . . 5722 2 
      124 . 2 2 16 16 HIS H    H 1  7.82 0.03 . 1 . . . . . . . . 5722 2 
      125 . 2 2 16 16 HIS HA   H 1  4.55 0.03 . 1 . . . . . . . . 5722 2 
      126 . 2 2 16 16 HIS HB2  H 1  3.22 0.03 . 2 . . . . . . . . 5722 2 
      127 . 2 2 16 16 HIS HB3  H 1  3.27 0.03 . 2 . . . . . . . . 5722 2 
      128 . 2 2 16 16 HIS HD2  H 1  7.21 0.03 . 1 . . . . . . . . 5722 2 
      129 . 2 2 17 17 ASP H    H 1  8.44 0.03 . 1 . . . . . . . . 5722 2 
      130 . 2 2 17 17 ASP HA   H 1  4.60 0.03 . 1 . . . . . . . . 5722 2 
      131 . 2 2 17 17 ASP HB2  H 1  2.61 0.03 . 2 . . . . . . . . 5722 2 
      132 . 2 2 17 17 ASP HB3  H 1  2.68 0.03 . 2 . . . . . . . . 5722 2 
      133 . 2 2 18 18 LYS H    H 1  8.27 0.03 . 1 . . . . . . . . 5722 2 
      134 . 2 2 18 18 LYS HA   H 1  4.37 0.03 . 1 . . . . . . . . 5722 2 
      135 . 2 2 18 18 LYS HB2  H 1  1.91 0.03 . 2 . . . . . . . . 5722 2 
      136 . 2 2 18 18 LYS HB3  H 1  1.78 0.03 . 2 . . . . . . . . 5722 2 
      137 . 2 2 18 18 LYS HD2  H 1  1.67 0.03 . 1 . . . . . . . . 5722 2 
      138 . 2 2 18 18 LYS HD3  H 1  1.67 0.03 . 1 . . . . . . . . 5722 2 
      139 . 2 2 18 18 LYS HE2  H 1  3.00 0.03 . 1 . . . . . . . . 5722 2 
      140 . 2 2 18 18 LYS HE3  H 1  3.00 0.03 . 1 . . . . . . . . 5722 2 
      141 . 2 2 18 18 LYS HG2  H 1  1.47 0.03 . 1 . . . . . . . . 5722 2 
      142 . 2 2 18 18 LYS HG3  H 1  1.47 0.03 . 1 . . . . . . . . 5722 2 
      143 . 2 2 19 19 LYS H    H 1  7.99 0.03 . 1 . . . . . . . . 5722 2 
      144 . 2 2 19 19 LYS HA   H 1  4.16 0.03 . 1 . . . . . . . . 5722 2 
      145 . 2 2 19 19 LYS HB2  H 1  1.73 0.03 . 2 . . . . . . . . 5722 2 
      146 . 2 2 19 19 LYS HB3  H 1  1.83 0.03 . 2 . . . . . . . . 5722 2 
      147 . 2 2 19 19 LYS HD2  H 1  1.67 0.03 . 1 . . . . . . . . 5722 2 
      148 . 2 2 19 19 LYS HD3  H 1  1.67 0.03 . 1 . . . . . . . . 5722 2 
      149 . 2 2 19 19 LYS HE2  H 1  3.00 0.03 . 1 . . . . . . . . 5722 2 
      150 . 2 2 19 19 LYS HE3  H 1  3.00 0.03 . 1 . . . . . . . . 5722 2 
      151 . 2 2 19 19 LYS HG2  H 1  1.41 0.03 . 1 . . . . . . . . 5722 2 
      152 . 2 2 19 19 LYS HG3  H 1  1.41 0.03 . 1 . . . . . . . . 5722 2 

   stop_

save_