data_19125

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

save_entry_information
   _Saveframe_category      entry_information

   _Entry_title            
;
Molecular Basis of Histone Acetyllysine Recognition by the BRPF1 Bromodomain.
;
   _BMRB_accession_number   19125
   _BMRB_flat_file_name     bmr19125.str
   _Entry_type              original
   _Submission_date         2013-03-28
   _Accession_date          2013-03-28
   _Entry_origination       author
   _NMR_STAR_version        2.1.1
   _Experimental_method     NMR
   _Details                 .

   loop_
      _Author_ordinal
      _Author_family_name
      _Author_given_name
      _Author_middle_initials
      _Author_family_title

      1 Poplawski Amanda    .  . 
      2 Hu        Kaifeng   .  . 
      3 Lee       Woonghee  .  . 
      4 Peng      Danni     .  . 
      5 Carlson   Samuel    .  . 
      6 Neuhardt  Elizabeth .  . 
      7 Shi       Xiaobing  .  . 
      8 Markley   John      L. . 
      9 Glass     Karen     C. . 

   stop_

   loop_
      _Saveframe_category_type
      _Saveframe_category_type_count

      assigned_chemical_shifts 1 

   stop_

   loop_
      _Data_type
      _Data_type_count

      "1H chemical shifts"   99 
      "13C chemical shifts" 317 
      "15N chemical shifts"  99 

   stop_

   loop_
      _Revision_date
      _Revision_keyword
      _Revision_author
      _Revision_detail

      2014-05-04 update   BMRB   'update entry citation' 
      2014-02-12 original author 'original release'      

   stop_

save_


#############################
#  Citation for this entry  #
#############################

save_entry_citation
   _Saveframe_category           entry_citation

   _Citation_full                .
   _Citation_title              'Molecular Insights into the Recognition of N-Terminal Histone Modifications by the BRPF1 Bromodomain.'
   _Citation_status              published
   _Citation_type                journal
   _CAS_abstract_code            .
   _MEDLINE_UI_code              .
   _PubMed_ID                    24333487

   loop_
      _Author_ordinal
      _Author_family_name
      _Author_given_name
      _Author_middle_initials
      _Author_family_title

       1 Poplawski Amanda   .  . 
       2 Hu        Kaifeng  .  . 
       3 Lee       Woonghee .  . 
       4 Natesan   Senthil  .  . 
       5 Peng      Danni    .  . 
       6 Carlson   Samuel   .  . 
       7 Shi       Xiaobing .  . 
       8 Balaz     Stefan   .  . 
       9 Markley   John     L. . 
      10 Glass     Karen    C. . 

   stop_

   _Journal_abbreviation        'J. Mol. Biol.'
   _Journal_name_full           'Journal of molecular biology'
   _Journal_volume               426
   _Journal_issue                8
   _Journal_CSD                  .
   _Book_chapter_title           .
   _Book_volume                  .
   _Book_series                  .
   _Book_ISBN                    .
   _Conference_state_province    .
   _Conference_abstract_number   .
   _Page_first                   1661
   _Page_last                    1676
   _Year                         2014
   _Details                      .

   loop_
      _Keyword

      'binding affinity'           
       bromodomain                 
       Epigenetics                 
      'histone acetyltransferase'  
      'nuclear magnetic resonance' 

   stop_

save_


##################################
#  Molecular system description  #
##################################

save_assembly
   _Saveframe_category         molecular_system

   _Mol_system_name           'BRPF1 momomer'
   _Enzyme_commission_number   .

   loop_
      _Mol_system_component_name
      _Mol_label

      BRPF1 $BRPF1_bromodomain 

   stop_

   _System_molecular_weight    .
   _System_physical_state      native
   _System_oligomer_state      ?
   _System_paramagnetic        no
   _System_thiol_state         .
   _Database_query_date        .
   _Details                    .

save_


    ########################
    #  Monomeric polymers  #
    ########################

save_BRPF1_bromodomain
   _Saveframe_category                          monomeric_polymer

   _Mol_type                                    polymer
   _Mol_polymer_class                           protein
   _Name_common                                 BRPF1_bromodomain
   _Molecular_mass                              .
   _Mol_thiol_state                            'all free'
   _Details                                     .

   	##############################
   	#  Polymer residue sequence  #
   	##############################
   
      _Residue_count                               117
   _Mol_residue_sequence                       
;
GPLQLTPFLILLRKTLEQLQ
EKDTGNIFSEPVPLSEVPDY
LDHIKKPMDFFTMKQNLEAY
RYLNFDDFEEDFNLIVSNCL
KYNAKDTIFYRAAVRLREQG
GAVLRQARRQAEKMGID
;

   loop_
      _Residue_seq_code
      _Residue_author_seq_code
      _Residue_label

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

   stop_

   _Sequence_homology_query_date                .
   _Sequence_homology_query_revised_last_date   2015-10-14

   loop_
      _Database_name
      _Database_accession_code
      _Database_entry_mol_name
      _Sequence_query_to_submitted_percentage
      _Sequence_subject_length
      _Sequence_identity
      _Sequence_positive
      _Sequence_homology_expectation_value

      PDB  4LC2         "Crystal Structure Of The Bromodomain Of Human Brpf1b"                                                                             96.58  116  99.12 100.00 8.58e-76 
      PDB  4QYD         "Crystal Structure Of The Human Brpf1 Bromodomain In Complex With A Histone H4k12ac Peptide"                                      100.00  117 100.00 100.00 2.66e-79 
      PDB  4QYL         "Crystal Structure Of The Human Brpf1 Bromodomain In Complex With A Histone H2ak5ac Peptide"                                      100.00  117 100.00 100.00 2.66e-79 
      PDB  4UYE         "Bromodomain Of Human Brpf1 With N-1,3-dimethyl-2-oxo-6-( Piperidin-1-yl)-2,3-dihydro-1h-1,3-benzodiazol-5-yl-2- Methoxybenzamid"  94.87  118  99.10 100.00 7.19e-74 
      PDB  5C7N         "Crystal Structure Of The Human Brpf1 Bromodomain In Complex With Bromosporine"                                                    96.58  116  99.12 100.00 8.58e-76 
      DBJ  BAC31528     "unnamed protein product [Mus musculus]"                                                                                           98.29  807  99.13 100.00 3.63e-70 
      DBJ  BAE33691     "unnamed protein product [Mus musculus]"                                                                                           98.29 1247  99.13 100.00 1.15e-69 
      DBJ  BAG10583     "peregrin [synthetic construct]"                                                                                                   98.29 1214  99.13 100.00 9.62e-70 
      DBJ  BAG57257     "unnamed protein product [Homo sapiens]"                                                                                           98.29 1119  99.13 100.00 4.62e-70 
      EMBL CAD28495     "hypothetical protein [Homo sapiens]"                                                                                              98.29 1213  99.13 100.00 9.57e-70 
      GB   AAB02119     "Br140 [Homo sapiens]"                                                                                                             98.29 1214  98.26 100.00 2.70e-69 
      GB   AAF19605     "putative 8-hydroxyguanine DNA glycosylase [Homo sapiens]"                                                                         98.29 1214  99.13 100.00 9.62e-70 
      GB   AAH05647     "Brpf1 protein, partial [Mus musculus]"                                                                                            98.29  706  99.13 100.00 3.85e-70 
      GB   AAH46521     "Bromodomain and PHD finger containing, 1 [Mus musculus]"                                                                          98.29 1246  99.13 100.00 1.15e-69 
      GB   AAI38362     "Brpf1 protein [Mus musculus]"                                                                                                     98.29 1212  99.13 100.00 1.05e-69 
      REF  NP_001178501 "peregrin [Rattus norvegicus]"                                                                                                     98.29 1246  99.13 100.00 1.15e-69 
      REF  NP_001269055 "peregrin isoform 1 [Mus musculus]"                                                                                                98.29 1247  99.13 100.00 1.15e-69 
      REF  NP_001269056 "peregrin isoform 3 [Mus musculus]"                                                                                                98.29 1212  99.13 100.00 1.05e-69 
      REF  NP_004625    "peregrin isoform 2 [Homo sapiens]"                                                                                                98.29 1214  99.13 100.00 9.62e-70 
      REF  NP_084454    "peregrin isoform 2 [Mus musculus]"                                                                                                98.29 1246  99.13 100.00 1.15e-69 
      SP   P55201       "RecName: Full=Peregrin; AltName: Full=Bromodomain and PHD finger-containing protein 1; AltName: Full=Protein Br140"               98.29 1214  99.13 100.00 9.62e-70 
      TPG  DAA17219     "TPA: bromodomain and PHD finger containing, 1-like isoform 2 [Bos taurus]"                                                        98.29 1213  99.13 100.00 1.06e-69 

   stop_

save_


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

save_natural_source
   _Saveframe_category   natural_source


   loop_
      _Mol_label
      _Organism_name_common
      _NCBI_taxonomy_ID
      _Superkingdom
      _Kingdom
      _Genus
      _Species

      $BRPF1_bromodomain Human 9606 Eukaryota Metazoa Homo sapiens 

   stop_

save_


    #########################
    #  Experimental source  #
    #########################

save_experimental_source
   _Saveframe_category   experimental_source


   loop_
      _Mol_label
      _Production_method
      _Host_organism_name_common
      _Genus
      _Species
      _Strain
      _Vector_name

      $BRPF1_bromodomain 'recombinant technology' . Escherichia coli . pDEST15 

   stop_

save_


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

save_sample_1
   _Saveframe_category   sample

   _Sample_type          solution
   _Details              .

   loop_
      _Mol_label
      _Concentration_value
      _Concentration_value_units
      _Isotopic_labeling

      'Tris HCl'          20 mM 'natural abundance' 
       NaCl              150 mM 'natural abundance' 
       DTT                10 mM 'natural abundance' 
      $BRPF1_bromodomain   0 mM '[U-13C; U-15N]'    
       H2O                90 %  'natural abundance' 
       D2O                10 %  'natural abundance' 

   stop_

save_


############################
#  Computer software used  #
############################

save_ADAPT-NMR
   _Saveframe_category   software

   _Name                 ADAPT-NMR
   _Version              .

   loop_
      _Vendor
      _Address
      _Electronic_address

      (ADAPT-NMR)-NMRFAM . . 

   stop_

   loop_
      _Task

      'chemical shift assignment' 
       collection                 
      'peak picking'              

   stop_

   _Details             'ADAPT-NMR on Bruker for reduced dimensionality'

save_


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

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

save_spectrometer_1
   _Saveframe_category   NMR_spectrometer

   _Manufacturer         Bruker
   _Model               'Avance III'
   _Field_strength       500
   _Details              .

save_


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

save_2D_1H-15N_HSQC_1
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '2D 1H-15N HSQC'
   _Sample_label        $sample_1

save_


save_3D_HNCO_2
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D HNCO'
   _Sample_label        $sample_1

save_


save_3D_HN(CO)CA_3
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D HN(CO)CA'
   _Sample_label        $sample_1

save_


save_3D_HNCA_4
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D HNCA'
   _Sample_label        $sample_1

save_


save_3D_HN(CO)CA_5
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D HN(CO)CA'
   _Sample_label        $sample_1

save_


save_3D_CBCA(CO)NH_6
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D CBCA(CO)NH'
   _Sample_label        $sample_1

save_


save_3D_C(CO)NH_7
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D C(CO)NH'
   _Sample_label        $sample_1

save_


save_3D_HN(CA)CO_8
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D HN(CA)CO'
   _Sample_label        $sample_1

save_


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

save_sample_conditions_1
   _Saveframe_category   sample_conditions

   _Details              .

   loop_
      _Variable_type
      _Variable_value
      _Variable_value_error
      _Variable_value_units

      pH            6.8 . pH  
      pressure      1   . atm 
      temperature 298   . K   

   stop_

save_


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

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

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

save_chemical_shift_reference_1
   _Saveframe_category   chemical_shift_reference

   _Details              .

   loop_
      _Mol_common_name
      _Atom_type
      _Atom_isotope_number
      _Atom_group
      _Chem_shift_units
      _Chem_shift_value
      _Reference_method
      _Reference_type
      _External_reference_sample_geometry
      _External_reference_location
      _External_reference_axis
      _Indirect_shift_ratio

      water C 13 'methyl carbons' ppm 0.00 internal direct . . . 1.00000 
      water H  1  protons         ppm 0.00 internal direct . . . 1.00000 
      water N 15  nitrogen        ppm 0.00 internal direct . . . 1.00000 

   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_assigned_chem_shift_list_1
   _Saveframe_category               assigned_chemical_shifts

   _Details                          .

   loop_
      _Experiment_label

      '2D 1H-15N HSQC' 
      '3D HNCO'        
      '3D HN(CO)CA'    
      '3D HNCA'        
      '3D CBCA(CO)NH'  
      '3D HN(CA)CO'    

   stop_

   loop_
      _Sample_label

      $sample_1 

   stop_

   _Sample_conditions_label         $sample_conditions_1
   _Chem_shift_reference_set_label  $chemical_shift_reference_1
   _Mol_system_component_name        BRPF1
   _Text_data_format                 .
   _Text_data                        .

   loop_
      _Atom_shift_assign_ID
      _Residue_author_seq_code
      _Residue_seq_code
      _Residue_label
      _Atom_name
      _Atom_type
      _Chem_shift_value
      _Chem_shift_value_error
      _Chem_shift_ambiguity_code

        1   2   2 PRO C  C 174.324 0.20  1 
        2   2   2 PRO CA C  60.300 0.200 1 
        3   2   2 PRO CB C  29.300 0.200 1 
        4   3   3 LEU H  H   8.376 0.02  1 
        5   3   3 LEU C  C 174.828 0.20  1 
        6   3   3 LEU CA C  52.900 0.200 1 
        7   3   3 LEU CB C  39.300 0.200 1 
        8   3   3 LEU N  N 122.392 0.20  1 
        9   4   4 GLN H  H   8.243 0.02  1 
       10   4   4 GLN C  C 172.963 0.20  1 
       11   4   4 GLN CA C  52.700 0.200 1 
       12   4   4 GLN CB C  26.200 0.200 1 
       13   4   4 GLN N  N 121.278 0.20  1 
       14   5   5 LEU H  H   8.149 0.02  1 
       15   5   5 LEU C  C 174.185 0.20  1 
       16   5   5 LEU CA C  55.500 0.200 1 
       17   5   5 LEU N  N 123.013 0.20  1 
       18   6   6 THR H  H   8.016 0.02  1 
       19   6   6 THR N  N 119.734 0.20  1 
       20   8   8 PHE C  C 174.986 0.20  1 
       21   8   8 PHE CA C  62.400 0.200 1 
       22   8   8 PHE CB C  36.200 0.200 1 
       23   9   9 LEU H  H   8.181 0.02  1 
       24   9   9 LEU C  C 175.589 0.20  1 
       25   9   9 LEU CA C  57.200 0.200 1 
       26   9   9 LEU CB C  37.900 0.200 1 
       27   9   9 LEU N  N 116.478 0.20  1 
       28  10  10 ILE H  H   7.930 0.02  1 
       29  10  10 ILE C  C 175.297 0.20  1 
       30  10  10 ILE CA C  60.400 0.200 1 
       31  10  10 ILE CB C  36.700 0.200 1 
       32  10  10 ILE N  N 122.803 0.20  1 
       33  11  11 LEU H  H   8.048 0.02  1 
       34  11  11 LEU C  C 175.284 0.20  1 
       35  11  11 LEU CA C  52.400 0.200 1 
       36  11  11 LEU CB C  36.900 0.200 1 
       37  11  11 LEU N  N 113.191 0.20  1 
       38  12  12 LEU H  H   7.539 0.02  1 
       39  12  12 LEU C  C 176.228 0.20  1 
       40  12  12 LEU CA C  55.600 0.200 1 
       41  12  12 LEU CB C  38.600 0.200 1 
       42  12  12 LEU N  N 118.456 0.20  1 
       43  13  13 ARG H  H   8.189 0.02  1 
       44  13  13 ARG C  C 176.483 0.20  1 
       45  13  13 ARG CA C  57.400 0.200 1 
       46  13  13 ARG CB C  27.200 0.200 1 
       47  13  13 ARG CD C  43.300 0.200 1 
       48  13  13 ARG N  N 119.449 0.20  1 
       49  14  14 LYS H  H   7.915 0.02  1 
       50  14  14 LYS C  C 176.149 0.20  1 
       51  14  14 LYS CA C  55.700 0.200 1 
       52  14  14 LYS CB C  28.900 0.200 1 
       53  14  14 LYS CE C  42.100 0.200 1 
       54  14  14 LYS N  N 119.273 0.20  1 
       55  15  15 THR H  H   8.212 0.02  1 
       56  15  15 THR C  C 173.010 0.20  1 
       57  15  15 THR CA C  64.200 0.200 1 
       58  15  15 THR CB C  64.800 0.200 1 
       59  15  15 THR N  N 117.210 0.20  1 
       60  16  16 LEU H  H   8.752 0.02  1 
       61  16  16 LEU C  C 175.411 0.20  1 
       62  16  16 LEU CA C  55.800 0.200 1 
       63  16  16 LEU CB C  38.700 0.200 1 
       64  16  16 LEU N  N 122.936 0.20  1 
       65  17  17 GLU H  H   7.696 0.02  1 
       66  17  17 GLU C  C 176.990 0.20  1 
       67  17  17 GLU CA C  56.900 0.200 1 
       68  17  17 GLU CB C  26.600 0.200 1 
       69  17  17 GLU N  N 118.162 0.20  1 
       70  18  18 GLN H  H   7.868 0.02  1 
       71  18  18 GLN C  C 176.470 0.20  1 
       72  18  18 GLN CA C  56.100 0.200 1 
       73  18  18 GLN CB C  27.000 0.200 1 
       74  18  18 GLN N  N 118.507 0.20  1 
       75  19  19 LEU H  H   8.259 0.02  1 
       76  19  19 LEU C  C 175.642 0.20  1 
       77  19  19 LEU CA C  55.000 0.200 1 
       78  19  19 LEU CB C  39.600 0.200 1 
       79  19  19 LEU N  N 119.926 0.20  1 
       80  20  20 GLN H  H   8.063 0.02  1 
       81  20  20 GLN C  C 176.993 0.20  1 
       82  20  20 GLN CA C  56.600 0.200 1 
       83  20  20 GLN CB C  25.500 0.200 1 
       84  20  20 GLN N  N 117.247 0.20  1 
       85  21  21 GLU H  H   7.657 0.02  1 
       86  21  21 GLU C  C 175.659 0.20  1 
       87  21  21 GLU CA C  55.600 0.200 1 
       88  21  21 GLU CB C  31.200 0.200 1 
       89  21  21 GLU N  N 118.967 0.20  1 
       90  22  22 LYS H  H   7.367 0.02  1 
       91  22  22 LYS C  C 174.978 0.20  1 
       92  22  22 LYS CA C  52.100 0.200 1 
       93  22  22 LYS CB C  32.800 0.200 1 
       94  22  22 LYS CE C  42.100 0.200 1 
       95  22  22 LYS N  N 113.145 0.20  1 
       96  23  23 ASP H  H   7.649 0.02  1 
       97  23  23 ASP C  C 174.419 0.20  1 
       98  23  23 ASP CA C  49.200 0.200 1 
       99  23  23 ASP CB C  37.300 0.200 1 
      100  23  23 ASP N  N 121.218 0.20  1 
      101  24  24 THR H  H   7.813 0.02  1 
      102  24  24 THR C  C 173.773 0.20  1 
      103  24  24 THR CA C  61.600 0.200 1 
      104  24  24 THR CB C  65.600 0.200 1 
      105  24  24 THR N  N 116.759 0.20  1 
      106  25  25 GLY H  H   8.815 0.02  1 
      107  25  25 GLY C  C 175.297 0.20  1 
      108  25  25 GLY CA C  42.000 0.200 1 
      109  25  25 GLY N  N 109.309 0.20  1 
      110  26  26 ASN H  H   8.056 0.02  1 
      111  26  26 ASN C  C 172.710 0.20  1 
      112  26  26 ASN CA C  51.800 0.200 1 
      113  26  26 ASN CB C  34.100 0.200 1 
      114  26  26 ASN N  N 118.539 0.20  1 
      115  27  27 ILE H  H   9.323 0.02  1 
      116  27  27 ILE C  C 175.451 0.20  1 
      117  27  27 ILE CA C  59.800 0.200 1 
      118  27  27 ILE CB C  35.500 0.200 1 
      119  27  27 ILE N  N 120.609 0.20  1 
      120  28  28 PHE H  H  10.145 0.02  1 
      121  28  28 PHE C  C 172.530 0.20  1 
      122  28  28 PHE CA C  54.400 0.200 1 
      123  28  28 PHE CB C  36.500 0.200 1 
      124  28  28 PHE N  N 122.311 0.20  1 
      125  29  29 SER H  H   7.328 0.02  1 
      126  29  29 SER C  C 170.606 0.20  1 
      127  29  29 SER CA C  59.200 0.200 1 
      128  29  29 SER CB C  61.500 0.200 1 
      129  29  29 SER N  N 114.799 0.20  1 
      130  30  30 GLU H  H   8.095 0.02  1 
      131  30  30 GLU CA C  58.900 0.200 1 
      132  30  30 GLU CB C  27.700 0.200 1 
      133  30  30 GLU N  N 118.788 0.20  1 
      134  31  31 PRO CB C  30.100 0.200 1 
      135  33  33 PRO C  C 174.378 0.20  1 
      136  33  33 PRO CA C  63.000 0.200 1 
      137  33  33 PRO CB C  28.000 0.200 1 
      138  34  34 LEU H  H   8.079 0.02  1 
      139  34  34 LEU C  C 176.056 0.20  1 
      140  34  34 LEU CA C  54.000 0.200 1 
      141  34  34 LEU CB C  37.900 0.200 1 
      142  34  34 LEU N  N 128.228 0.20  1 
      143  35  35 SER H  H   8.149 0.02  1 
      144  35  35 SER C  C 172.980 0.20  1 
      145  35  35 SER CA C  57.600 0.200 1 
      146  35  35 SER CB C  59.300 0.200 1 
      147  35  35 SER N  N 111.324 0.20  1 
      148  36  36 GLU H  H   7.250 0.02  1 
      149  36  36 GLU C  C 173.716 0.20  1 
      150  36  36 GLU CA C  53.700 0.200 1 
      151  36  36 GLU CB C  28.200 0.200 1 
      152  36  36 GLU N  N 118.869 0.20  1 
      153  37  37 VAL H  H   7.250 0.02  1 
      154  37  37 VAL N  N 117.135 0.20  1 
      155  38  38 PRO C  C 173.664 0.20  1 
      156  38  38 PRO CA C  62.800 0.200 1 
      157  39  39 ASP H  H   8.259 0.02  1 
      158  39  39 ASP CB C  39.200 0.200 1 
      159  39  39 ASP N  N 119.926 0.20  1 
      160  40  40 TYR C  C 174.986 0.20  1 
      161  40  40 TYR CA C  54.600 0.200 1 
      162  40  40 TYR CB C  38.300 0.200 1 
      163  41  41 LEU H  H   6.663 0.02  1 
      164  41  41 LEU C  C 172.909 0.20  1 
      165  41  41 LEU CA C  57.400 0.200 1 
      166  41  41 LEU CB C  36.700 0.200 1 
      167  41  41 LEU N  N 120.025 0.20  1 
      168  42  42 ASP H  H   8.439 0.02  1 
      169  42  42 ASP C  C 175.000 0.20  1 
      170  42  42 ASP CA C  57.400 0.200 1 
      171  42  42 ASP N  N 119.769 0.20  1 
      172  43  43 HIS H  H   8.353 0.02  1 
      173  43  43 HIS C  C 176.564 0.20  1 
      174  43  43 HIS CA C  56.600 0.200 1 
      175  43  43 HIS CB C  26.100 0.200 1 
      176  43  43 HIS N  N 117.504 0.20  1 
      177  44  44 ILE H  H   6.921 0.02  1 
      178  44  44 ILE C  C 175.000 0.20  1 
      179  44  44 ILE CA C  54.600 0.200 1 
      180  44  44 ILE CB C  35.400 0.200 1 
      181  44  44 ILE N  N 120.578 0.20  1 
      182  45  45 LYS H  H   7.336 0.02  1 
      183  45  45 LYS C  C 173.769 0.20  1 
      184  45  45 LYS CA C  58.800 0.200 1 
      185  45  45 LYS CB C  35.200 0.200 1 
      186  45  45 LYS CE C  42.100 0.200 1 
      187  45  45 LYS N  N 120.481 0.20  1 
      188  46  46 LYS H  H   8.533 0.02  1 
      189  46  46 LYS CB C  32.700 0.200 1 
      190  46  46 LYS CE C  42.100 0.200 1 
      191  46  46 LYS N  N 115.945 0.20  1 
      192  47  47 PRO C  C 174.361 0.20  1 
      193  47  47 PRO CA C  59.900 0.200 1 
      194  47  47 PRO CB C  28.900 0.200 1 
      195  48  48 MET H  H   8.298 0.02  1 
      196  48  48 MET CA C  55.900 0.200 1 
      197  48  48 MET CB C  34.600 0.200 1 
      198  48  48 MET N  N 126.739 0.20  1 
      199  49  49 ASP C  C 175.284 0.20  1 
      200  49  49 ASP CA C  52.400 0.200 1 
      201  49  49 ASP CB C  34.600 0.200 1 
      202  50  50 PHE H  H   7.539 0.02  1 
      203  50  50 PHE C  C 171.335 0.20  1 
      204  50  50 PHE CA C  54.400 0.200 1 
      205  50  50 PHE CB C  39.900 0.200 1 
      206  50  50 PHE N  N 118.456 0.20  1 
      207  51  51 PHE H  H   8.267 0.02  1 
      208  51  51 PHE C  C 174.185 0.20  1 
      209  51  51 PHE CA C  63.800 0.200 1 
      210  51  51 PHE CB C  38.700 0.200 1 
      211  51  51 PHE N  N 122.945 0.20  1 
      212  52  52 THR H  H   8.016 0.02  1 
      213  52  52 THR CA C  63.100 0.200 1 
      214  52  52 THR N  N 119.734 0.20  1 
      215  53  53 MET C  C 171.468 0.20  1 
      216  53  53 MET CA C  53.900 0.200 1 
      217  53  53 MET CB C  30.100 0.200 1 
      218  54  54 LYS H  H   7.766 0.02  1 
      219  54  54 LYS C  C 171.271 0.20  1 
      220  54  54 LYS CA C  55.000 0.200 1 
      221  54  54 LYS CB C  33.300 0.200 1 
      222  54  54 LYS CE C  42.100 0.200 1 
      223  54  54 LYS N  N 121.540 0.20  1 
      224  55  55 GLN H  H   7.782 0.02  1 
      225  55  55 GLN C  C 174.443 0.20  1 
      226  55  55 GLN CA C  54.000 0.200 1 
      227  55  55 GLN CB C  29.800 0.200 1 
      228  55  55 GLN N  N 123.689 0.20  1 
      229  56  56 ASN H  H   8.275 0.02  1 
      230  56  56 ASN C  C 175.284 0.20  1 
      231  56  56 ASN CA C  52.700 0.200 1 
      232  56  56 ASN N  N 120.474 0.20  1 
      233  57  57 LEU H  H   7.539 0.02  1 
      234  57  57 LEU C  C 174.234 0.20  1 
      235  57  57 LEU CA C  53.400 0.200 1 
      236  57  57 LEU N  N 118.456 0.20  1 
      237  58  58 GLU H  H   7.273 0.02  1 
      238  58  58 GLU CA C  53.800 0.200 1 
      239  58  58 GLU CB C  30.200 0.200 1 
      240  58  58 GLU N  N 115.346 0.20  1 
      241  59  59 ALA C  C 173.501 0.20  1 
      242  59  59 ALA CA C  48.300 0.200 1 
      243  59  59 ALA CB C  15.500 0.200 1 
      244  60  60 TYR H  H   7.610 0.02  1 
      245  60  60 TYR C  C 173.065 0.20  1 
      246  60  60 TYR CA C  56.100 0.200 1 
      247  60  60 TYR CB C  30.600 0.200 1 
      248  60  60 TYR N  N 113.721 0.20  1 
      249  61  61 ARG H  H   7.782 0.02  1 
      250  61  61 ARG C  C 171.335 0.20  1 
      251  61  61 ARG CA C  60.100 0.200 1 
      252  61  61 ARG CB C  29.300 0.200 1 
      253  61  61 ARG CD C  43.300 0.200 1 
      254  61  61 ARG N  N 112.782 0.20  1 
      255  62  62 TYR H  H   8.259 0.02  1 
      256  62  62 TYR C  C 171.511 0.20  1 
      257  62  62 TYR CA C  52.400 0.200 1 
      258  62  62 TYR CB C  35.400 0.200 1 
      259  62  62 TYR N  N 118.217 0.20  1 
      260  63  63 LEU H  H   9.198 0.02  1 
      261  63  63 LEU C  C 173.406 0.20  1 
      262  63  63 LEU CA C  51.500 0.200 1 
      263  63  63 LEU CB C  39.300 0.200 1 
      264  63  63 LEU N  N 123.251 0.20  1 
      265  64  64 ASN H  H   7.883 0.02  1 
      266  64  64 ASN C  C 171.839 0.20  1 
      267  64  64 ASN CA C  49.100 0.200 1 
      268  64  64 ASN CB C  37.600 0.200 1 
      269  64  64 ASN N  N 112.793 0.20  1 
      270  65  65 PHE H  H   9.409 0.02  1 
      271  65  65 PHE C  C 174.307 0.20  1 
      272  65  65 PHE CA C  60.000 0.200 1 
      273  65  65 PHE CB C  37.600 0.200 1 
      274  65  65 PHE N  N 120.268 0.20  1 
      275  66  66 ASP H  H   8.314 0.02  1 
      276  66  66 ASP C  C 175.760 0.20  1 
      277  66  66 ASP CA C  55.400 0.200 1 
      278  66  66 ASP CB C  36.700 0.200 1 
      279  66  66 ASP N  N 119.194 0.20  1 
      280  67  67 ASP H  H   8.439 0.02  1 
      281  67  67 ASP C  C 174.963 0.20  1 
      282  67  67 ASP CA C  55.600 0.200 1 
      283  67  67 ASP CB C  38.700 0.200 1 
      284  67  67 ASP N  N 119.424 0.20  1 
      285  68  68 PHE H  H   8.016 0.02  1 
      286  68  68 PHE C  C 175.612 0.20  1 
      287  68  68 PHE CA C  58.200 0.200 1 
      288  68  68 PHE N  N 119.734 0.20  1 
      289  69  69 GLU H  H   8.142 0.02  1 
      290  69  69 GLU C  C 175.589 0.20  1 
      291  69  69 GLU CA C  57.200 0.200 1 
      292  69  69 GLU CB C  29.100 0.200 1 
      293  69  69 GLU N  N 120.959 0.20  1 
      294  70  70 GLU H  H   7.923 0.02  1 
      295  70  70 GLU C  C 176.914 0.20  1 
      296  70  70 GLU CA C  55.700 0.200 1 
      297  70  70 GLU CB C  25.800 0.200 1 
      298  70  70 GLU N  N 118.012 0.20  1 
      299  71  71 ASP H  H   8.548 0.02  1 
      300  71  71 ASP C  C 173.969 0.20  1 
      301  71  71 ASP CA C  52.400 0.200 1 
      302  71  71 ASP CB C  34.600 0.200 1 
      303  71  71 ASP N  N 119.352 0.20  1 
      304  72  72 PHE H  H   8.689 0.02  1 
      305  72  72 PHE CA C  55.300 0.200 1 
      306  72  72 PHE CB C  39.900 0.200 1 
      307  72  72 PHE N  N 123.818 0.20  1 
      308  73  73 ASN C  C 169.565 0.20  1 
      309  73  73 ASN CA C  50.300 0.200 1 
      310  74  74 LEU H  H   7.179 0.02  1 
      311  74  74 LEU C  C 172.705 0.20  1 
      312  74  74 LEU CA C  50.600 0.200 1 
      313  74  74 LEU CB C  41.000 0.200 1 
      314  74  74 LEU N  N 118.024 0.20  1 
      315  75  75 ILE H  H   9.026 0.02  1 
      316  75  75 ILE C  C 174.730 0.20  1 
      317  75  75 ILE CA C  59.600 0.200 1 
      318  75  75 ILE CB C  35.900 0.200 1 
      319  75  75 ILE N  N 117.670 0.20  1 
      320  76  76 VAL H  H   8.799 0.02  1 
      321  76  76 VAL C  C 173.442 0.20  1 
      322  76  76 VAL CA C  59.400 0.200 1 
      323  76  76 VAL CB C  35.600 0.200 1 
      324  76  76 VAL N  N 125.774 0.20  1 
      325  77  77 SER H  H   6.874 0.02  1 
      326  77  77 SER C  C 175.051 0.20  1 
      327  77  77 SER CA C  59.400 0.200 1 
      328  77  77 SER N  N 111.899 0.20  1 
      329  78  78 ASN H  H   8.963 0.02  1 
      330  78  78 ASN C  C 173.442 0.20  1 
      331  78  78 ASN CA C  52.300 0.200 1 
      332  78  78 ASN CB C  34.900 0.200 1 
      333  78  78 ASN N  N 121.337 0.20  1 
      334  79  79 CYS H  H   6.874 0.02  1 
      335  79  79 CYS C  C 174.978 0.20  1 
      336  79  79 CYS CA C  54.800 0.200 1 
      337  79  79 CYS N  N 119.207 0.20  1 
      338  80  80 LEU H  H   7.641 0.02  1 
      339  80  80 LEU C  C 174.937 0.20  1 
      340  80  80 LEU CA C  53.800 0.200 1 
      341  80  80 LEU CB C  37.800 0.200 1 
      342  80  80 LEU N  N 120.126 0.20  1 
      343  81  81 LYS H  H   7.711 0.02  1 
      344  81  81 LYS C  C 175.517 0.20  1 
      345  81  81 LYS CA C  59.500 0.200 1 
      346  81  81 LYS CB C  30.100 0.200 1 
      347  81  81 LYS CE C  42.100 0.200 1 
      348  81  81 LYS N  N 116.997 0.20  1 
      349  82  82 TYR H  H   7.993 0.02  1 
      350  82  82 TYR C  C 172.663 0.20  1 
      351  82  82 TYR CA C  58.500 0.200 1 
      352  82  82 TYR CB C  37.900 0.200 1 
      353  82  82 TYR N  N 116.810 0.20  1 
      354  83  83 ASN H  H   7.750 0.02  1 
      355  83  83 ASN C  C 170.997 0.20  1 
      356  83  83 ASN CA C  50.400 0.200 1 
      357  83  83 ASN CB C  39.200 0.200 1 
      358  83  83 ASN N  N 114.040 0.20  1 
      359  84  84 ALA H  H   8.525 0.02  1 
      360  84  84 ALA C  C 175.022 0.20  1 
      361  84  84 ALA CA C  48.900 0.200 1 
      362  84  84 ALA CB C  16.600 0.200 1 
      363  84  84 ALA N  N 121.639 0.20  1 
      364  85  85 LYS H  H   8.126 0.02  1 
      365  85  85 LYS CA C  54.600 0.200 1 
      366  85  85 LYS CE C  42.100 0.200 1 
      367  85  85 LYS N  N 119.400 0.20  1 
      368  86  86 ASP C  C 173.413 0.20  1 
      369  86  86 ASP CA C  51.200 0.200 1 
      370  86  86 ASP CB C  36.600 0.200 1 
      371  87  87 THR H  H   7.508 0.02  1 
      372  87  87 THR C  C 173.081 0.20  1 
      373  87  87 THR CA C  58.100 0.200 1 
      374  87  87 THR CB C  71.300 0.200 1 
      375  87  87 THR N  N 108.424 0.20  1 
      376  88  88 ILE H  H   8.674 0.02  1 
      377  88  88 ILE CA C  61.400 0.200 1 
      378  88  88 ILE N  N 119.977 0.20  1 
      379  89  89 PHE C  C 173.148 0.20  1 
      380  89  89 PHE CA C  58.300 0.200 1 
      381  89  89 PHE CB C  36.900 0.200 1 
      382  90  90 TYR H  H   7.962 0.02  1 
      383  90  90 TYR CA C  55.800 0.200 1 
      384  90  90 TYR CB C  38.600 0.200 1 
      385  90  90 TYR N  N 119.807 0.20  1 
      386  91  91 ARG C  C 176.760 0.20  1 
      387  91  91 ARG CA C  57.000 0.200 1 
      388  91  91 ARG CB C  27.600 0.200 1 
      389  91  91 ARG CD C  43.300 0.200 1 
      390  92  92 ALA H  H   8.212 0.02  1 
      391  92  92 ALA C  C 178.101 0.20  1 
      392  92  92 ALA CA C  52.200 0.200 1 
      393  92  92 ALA CB C  15.900 0.200 1 
      394  92  92 ALA N  N 121.417 0.20  1 
      395  93  93 ALA H  H   8.415 0.02  1 
      396  93  93 ALA C  C 176.091 0.20  1 
      397  93  93 ALA CA C  52.500 0.200 1 
      398  93  93 ALA CB C  15.600 0.200 1 
      399  93  93 ALA N  N 123.221 0.20  1 
      400  94  94 VAL H  H   8.032 0.02  1 
      401  94  94 VAL C  C 176.242 0.20  1 
      402  94  94 VAL CA C  64.600 0.200 1 
      403  94  94 VAL CB C  36.400 0.200 1 
      404  94  94 VAL N  N 119.183 0.20  1 
      405  95  95 ARG H  H   7.602 0.02  1 
      406  95  95 ARG C  C 175.589 0.20  1 
      407  95  95 ARG CA C  56.700 0.200 1 
      408  95  95 ARG CB C  27.100 0.200 1 
      409  95  95 ARG CD C  43.300 0.200 1 
      410  95  95 ARG N  N 119.248 0.20  1 
      411  96  96 LEU H  H   8.345 0.02  1 
      412  96  96 LEU C  C 176.903 0.20  1 
      413  96  96 LEU CA C  55.200 0.200 1 
      414  96  96 LEU CB C  39.000 0.200 1 
      415  96  96 LEU N  N 121.143 0.20  1 
      416  97  97 ARG H  H   8.603 0.02  1 
      417  97  97 ARG C  C 176.694 0.20  1 
      418  97  97 ARG CA C  57.200 0.200 1 
      419  97  97 ARG CB C  27.300 0.200 1 
      420  97  97 ARG CD C  43.300 0.200 1 
      421  97  97 ARG N  N 120.546 0.20  1 
      422  98  98 GLU H  H   7.829 0.02  1 
      423  98  98 GLU C  C 177.038 0.20  1 
      424  98  98 GLU CA C  56.400 0.200 1 
      425  98  98 GLU CB C  27.100 0.200 1 
      426  98  98 GLU N  N 118.956 0.20  1 
      427  99  99 GLN H  H   8.955 0.02  1 
      428  99  99 GLN C  C 176.920 0.20  1 
      429  99  99 GLN CA C  55.700 0.200 1 
      430  99  99 GLN CB C  26.700 0.200 1 
      431  99  99 GLN N  N 117.784 0.20  1 
      432 100 100 GLY H  H   9.417 0.02  1 
      433 100 100 GLY C  C 172.576 0.20  1 
      434 100 100 GLY CA C  43.400 0.200 1 
      435 100 100 GLY N  N 108.845 0.20  1 
      436 101 101 GLY H  H   7.680 0.02  1 
      437 101 101 GLY C  C 173.297 0.20  1 
      438 101 101 GLY CA C  44.900 0.200 1 
      439 101 101 GLY N  N 108.347 0.20  1 
      440 102 102 ALA H  H   7.320 0.02  1 
      441 102 102 ALA C  C 177.734 0.20  1 
      442 102 102 ALA CA C  52.500 0.200 1 
      443 102 102 ALA CB C  15.400 0.200 1 
      444 102 102 ALA N  N 122.453 0.20  1 
      445 103 103 VAL H  H   7.015 0.02  1 
      446 103 103 VAL C  C 178.320 0.20  1 
      447 103 103 VAL CA C  62.800 0.200 1 
      448 103 103 VAL CB C  33.700 0.200 1 
      449 103 103 VAL N  N 118.962 0.20  1 
      450 104 104 LEU H  H   7.594 0.02  1 
      451 104 104 LEU C  C 175.589 0.20  1 
      452 104 104 LEU CA C  55.100 0.200 1 
      453 104 104 LEU CB C  38.000 0.200 1 
      454 104 104 LEU N  N 121.407 0.20  1 
      455 105 105 ARG H  H   8.353 0.02  1 
      456 105 105 ARG C  C 176.491 0.20  1 
      457 105 105 ARG CA C  57.200 0.200 1 
      458 105 105 ARG CB C  26.800 0.200 1 
      459 105 105 ARG CD C  43.300 0.200 1 
      460 105 105 ARG N  N 119.983 0.20  1 
      461 106 106 GLN H  H   7.383 0.02  1 
      462 106 106 GLN C  C 175.605 0.20  1 
      463 106 106 GLN CA C  55.600 0.200 1 
      464 106 106 GLN CB C  25.100 0.200 1 
      465 106 106 GLN N  N 117.527 0.20  1 
      466 107 107 ALA H  H   8.103 0.02  1 
      467 107 107 ALA C  C 176.145 0.20  1 
      468 107 107 ALA CA C  52.300 0.200 1 
      469 107 107 ALA CB C  16.800 0.200 1 
      470 107 107 ALA N  N 123.630 0.20  1 
      471 108 108 ARG H  H   8.118 0.02  1 
      472 108 108 ARG C  C 175.753 0.20  1 
      473 108 108 ARG CA C  56.600 0.200 1 
      474 108 108 ARG CB C  27.300 0.200 1 
      475 108 108 ARG CD C  43.300 0.200 1 
      476 108 108 ARG N  N 118.914 0.20  1 
      477 109 109 ARG H  H   7.148 0.02  1 
      478 109 109 ARG CA C  55.900 0.200 1 
      479 109 109 ARG CD C  43.300 0.200 1 
      480 109 109 ARG N  N 116.967 0.20  1 
      481 110 110 GLN C  C 175.861 0.20  1 
      482 110 110 GLN CA C  55.900 0.200 1 
      483 110 110 GLN CB C  25.700 0.200 1 
      484 111 111 ALA H  H   8.267 0.02  1 
      485 111 111 ALA C  C 177.157 0.20  1 
      486 111 111 ALA CA C  52.200 0.200 1 
      487 111 111 ALA CB C  14.900 0.200 1 
      488 111 111 ALA N  N 122.945 0.20  1 
      489 112 112 GLU H  H   8.056 0.02  1 
      490 112 112 GLU C  C 176.805 0.20  1 
      491 112 112 GLU CA C  55.900 0.200 1 
      492 112 112 GLU CB C  26.600 0.200 1 
      493 112 112 GLU N  N 117.767 0.20  1 
      494 113 113 LYS H  H   7.555 0.02  1 
      495 113 113 LYS C  C 174.978 0.20  1 
      496 113 113 LYS CA C  54.800 0.200 1 
      497 113 113 LYS CB C  29.500 0.200 1 
      498 113 113 LYS CE C  42.100 0.200 1 
      499 113 113 LYS N  N 118.698 0.20  1 
      500 114 114 MET H  H   7.633 0.02  1 
      501 114 114 MET C  C 173.498 0.20  1 
      502 114 114 MET CA C  53.700 0.200 1 
      503 114 114 MET CB C  30.800 0.200 1 
      504 114 114 MET N  N 117.105 0.20  1 
      505 115 115 GLY H  H   7.915 0.02  1 
      506 115 115 GLY C  C 171.468 0.20  1 
      507 115 115 GLY CA C  43.000 0.200 1 
      508 115 115 GLY N  N 108.310 0.20  1 
      509 116 116 ILE H  H   7.774 0.02  1 
      510 116 116 ILE C  C 171.885 0.20  1 
      511 116 116 ILE CA C  58.000 0.200 1 
      512 116 116 ILE CB C  35.600 0.200 1 
      513 116 116 ILE N  N 119.095 0.20  1 
      514 117 117 ASP H  H   7.883 0.02  1 
      515 117 117 ASP N  N 129.346 0.20  1 

   stop_

save_