data_17482

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

save_entry_information
   _Saveframe_category      entry_information

   _Entry_title            
;
Structural Characterization of small heat shock protein (Hsp12)
;
   _BMRB_accession_number   17482
   _BMRB_flat_file_name     bmr17482.str
   _Entry_type              original
   _Submission_date         2011-02-22
   _Accession_date          2011-02-22
   _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 Singarapu Kiran   K. . 
      2 Tonelli   Marco   .  . 
      3 Westler   William M. . 
      4 Markley   John    L. . 

   stop_

   loop_
      _Saveframe_category_type
      _Saveframe_category_type_count

      assigned_chemical_shifts 1 

   stop_

   loop_
      _Data_type
      _Data_type_count

      "1H chemical shifts"  536 
      "13C chemical shifts" 391 
      "15N chemical shifts" 102 

   stop_

   loop_
      _Revision_date
      _Revision_keyword
      _Revision_author
      _Revision_detail

      2012-03-09 update   BMRB   'update entry citation' 
      2011-10-26 original author 'original release'      

   stop_

   loop_
      _Related_BMRB_accession_number
      _Relationship

      17483 'Hsp12 in aqueous solution' 

   stop_

save_


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

save_citations
   _Saveframe_category           entry_citation

   _Citation_full                .
   _Citation_title              'Structural characterization of Hsp12, the heat shock protein from Saccharomyces cerevisiae, in aqueous solution where it is intrinsically disordered and in detergent micelles where it is locally -helical.'
   _Citation_status              published
   _Citation_type                journal
   _CAS_abstract_code            .
   _MEDLINE_UI_code              .
   _PubMed_ID                    21998307

   loop_
      _Author_ordinal
      _Author_family_name
      _Author_given_name
      _Author_middle_initials
      _Author_family_title

      1 Singarapu Kiran   K. . 
      2 Tonelli   Marco   .  . 
      3 Chow      Darius  C. . 
      4 Frederick Ronnie  O. . 
      5 Westler   William M. . 
      6 Markley   John    L. . 

   stop_

   _Journal_abbreviation        'J. Biol. Chem.'
   _Journal_name_full           'The Journal of biological chemistry'
   _Journal_volume               286
   _Journal_issue                50
   _Journal_CSD                  .
   _Book_chapter_title           .
   _Book_volume                  .
   _Book_series                  .
   _Book_ISBN                    .
   _Conference_state_province    .
   _Conference_abstract_number   .
   _Page_first                   43447
   _Page_last                    43453
   _Year                         2011
   _Details                      .

save_


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

save_assembly
   _Saveframe_category         molecular_system

   _Mol_system_name            Hsp12
   _Enzyme_commission_number   .

   loop_
      _Mol_system_component_name
      _Mol_label

      Hsp12 $Hsp12 

   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_Hsp12
   _Saveframe_category                          monomeric_polymer

   _Mol_type                                    polymer
   _Mol_polymer_class                           protein
   _Name_common                                 entity
   _Molecular_mass                              11712.830
   _Mol_thiol_state                            'not present'
   _Details                                     .

   	##############################
   	#  Polymer residue sequence  #
   	##############################
   
      _Residue_count                               109
   _Mol_residue_sequence                       
;
MSDAGRKGFGEKASEALKPD
SQKSYAEQGKEYITDKADKV
AGKVQPEDNKGVFQGVHDSA
EKGKDNAEGQGESLADQARD
YMGAAKSKLNDAVEYVSGRV
HGEEDPTKK
;

   loop_
      _Residue_seq_code
      _Residue_label

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

   stop_

   _Sequence_homology_query_date                .
   _Sequence_homology_query_revised_last_date   2015-07-08

   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

      BMRB     17483  hsp12                                                                                                                  100.00 109 100.00 100.00 8.02e-70 
      BMRB     17948  Hsp12                                                                                                                  100.00 109 100.00 100.00 8.02e-70 
      BMRB     18523  HSP12_SDS                                                                                                              100.00 109 100.00 100.00 8.02e-70 
      PDB  2L9Q       "Structural Characterization Of Small Heat Shock Protein (Hsp12)"                                                       100.00 109 100.00 100.00 8.02e-70 
      PDB  2LJL       "Nmr Structure Of Hsp12 In The Presence Of Dpc"                                                                         100.00 109 100.00 100.00 8.02e-70 
      PDB  4AXP       "Nmr Structure Of Hsp12, A Protein Induced By And Required For Dietary Restriction-Induced Lifespan Extension In Yeast"  99.08 109 100.00 100.00 9.65e-69 
      DBJ  BAA09224   "12KD heat shock protein [Saccharomyces cerevisiae]"                                                                    100.00 109 100.00 100.00 8.02e-70 
      DBJ  BAA14033   "Sc-Hsp12p [Saccharomyces pastorianus]"                                                                                 100.00 109 100.00 100.00 8.02e-70 
      DBJ  GAA23069   "K7_Hsp12p [Saccharomyces cerevisiae Kyokai no. 7]"                                                                     100.00 109 100.00 100.00 8.02e-70 
      EMBL CAA39306   "hsp12 [Saccharomyces cerevisiae]"                                                                                      100.00 109 100.00 100.00 8.02e-70 
      EMBL CAA86349   "hsp12, glp1 [Saccharomyces cerevisiae]"                                                                                100.00 109 100.00 100.00 8.02e-70 
      EMBL CAY79436   "Hsp12p [Saccharomyces cerevisiae EC1118]"                                                                              100.00 109  99.08  99.08 1.20e-68 
      GB   AAA34647   "15 kD glucose and lipid regulated protein [Saccharomyces cerevisiae]"                                                  100.00 109 100.00 100.00 8.02e-70 
      GB   AAL06077   "12 kDa heat shock protein [Saccharomyces cerevisiae]"                                                                  100.00 109  99.08  99.08 1.20e-68 
      GB   AAS56790   "YFL014W [Saccharomyces cerevisiae]"                                                                                    100.00 109 100.00 100.00 8.02e-70 
      GB   AHY75775   "Hsp12p [Saccharomyces cerevisiae YJM993]"                                                                              100.00 109  98.17  98.17 1.59e-67 
      GB   AJP38487   "Hsp12p [Saccharomyces cerevisiae YJM1078]"                                                                             100.00 109  99.08  99.08 1.20e-68 
      REF  NP_116640  "lipid-binding protein HSP12 [Saccharomyces cerevisiae S288c]"                                                          100.00 109 100.00 100.00 8.02e-70 
      SP   P22943     "RecName: Full=12 kDa heat shock protein; AltName: Full=Glucose and lipid-regulated protein"                            100.00 109 100.00 100.00 8.02e-70 
      TPG  DAA12425   "TPA: lipid-binding protein HSP12 [Saccharomyces cerevisiae S288c]"                                                     100.00 109 100.00 100.00 8.02e-70 

   stop_

save_


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

save_natural_source
   _Saveframe_category   natural_source


   loop_
      _Mol_label
      _Organism_name_common
      _NCBI_taxonomy_ID
      _Superkingdom
      _Kingdom
      _Genus
      _Species

      $Hsp12 'baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae 

   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

      $Hsp12 'recombinant technology' . Escherichia coli . pvp68k 

   stop_

save_


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

save_sample_1
   _Saveframe_category   sample

   _Sample_type          solution
   _Details             '10mM MOPS, 100mM NaCl, 100mM SDS, 5mM DTT, 3mM NaN3'

   loop_
      _Mol_label
      _Concentration_value
      _Concentration_value_units
      _Isotopic_labeling

      $Hsp12   0.2 mM '[U-100% 15N]'             
      $Hsp12   1.0 mM '[U-100% 13C; U-100% 15N]' 
       MOPS   10   mM 'natural abundance'        
       NaCl  100   mM 'natural abundance'        
       SDS   100   mM 'natural abundance'        
       DTT     5   mM 'natural abundance'        
       NaN3    3   mM 'natural abundance'        
       H2O    95   mM 'natural abundance'        
       D2O     5   mM 'natural abundance'        

   stop_

save_


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

save_CYANA
   _Saveframe_category   software

   _Name                 CYANA
   _Version              .

   loop_
      _Vendor
      _Address
      _Electronic_address

      'Guntert, Mumenthaler and Wuthrich' . . 

   stop_

   loop_
      _Task

      'chemical shift assignment' 

   stop_

   _Details              .

save_


save_Molmol
   _Saveframe_category   software

   _Name                 Molmol
   _Version              .

   loop_
      _Vendor
      _Address
      _Electronic_address

      'Koradi, Billeter and Wuthrich' . . 

   stop_

   loop_
      _Task

      'structure solution' 

   stop_

   _Details              .

save_


save_VNMRJ
   _Saveframe_category   software

   _Name                 VNMRJ
   _Version              .

   loop_
      _Vendor
      _Address
      _Electronic_address

      Varian . . 

   stop_

   loop_
      _Task

      collection 

   stop_

   _Details              .

save_


save_NMRPipe
   _Saveframe_category   software

   _Name                 NMRPipe
   _Version              .

   loop_
      _Vendor
      _Address
      _Electronic_address

      'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 

   stop_

   loop_
      _Task

      processing 

   stop_

   _Details              .

save_


save_PINE
   _Saveframe_category   software

   _Name                 PINE
   _Version              .

   loop_
      _Vendor
      _Address
      _Electronic_address

      'Bahrami, Markley, Assadi, and Eghbalnia' . . 

   stop_

   loop_
      _Task

      'chemical shift assignment' 

   stop_

   _Details              .

save_


save_TALOS
   _Saveframe_category   software

   _Name                 TALOS
   _Version              .

   loop_
      _Vendor
      _Address
      _Electronic_address

      'Cornilescu, Delaglio and Bax' . . 

   stop_

   loop_
      _Task

      'chemical shift assignment' 

   stop_

   _Details              .

save_


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

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

save_spectrometer_1
   _Saveframe_category   NMR_spectrometer

   _Manufacturer         Varian
   _Model                INOVA
   _Field_strength       900
   _Details              .

save_


save_spectrometer_2
   _Saveframe_category   NMR_spectrometer

   _Manufacturer         Varian
   _Model                INOVA
   _Field_strength       600
   _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_CBCA(CO)NH_2
   _Saveframe_category   NMR_applied_experiment

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

save_


save_3D_HNCACB_3
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D HNCACB'
   _Sample_label        $sample_1

save_


save_2D_1H-13C_HSQC_aliphatic_4
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '2D 1H-13C HSQC aliphatic'
   _Sample_label        $sample_1

save_


save_2D_1H-13C_HSQC_aromatic_5
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '2D 1H-13C HSQC aromatic'
   _Sample_label        $sample_1

save_


save_3D_C(CO)NH_6
   _Saveframe_category   NMR_applied_experiment

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

save_


save_3D_HBHA(CO)NH_7
   _Saveframe_category   NMR_applied_experiment

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

save_


save_3D_HCCH-COSY_8
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D HCCH-COSY'
   _Sample_label        $sample_1

save_


save_3D_1H-13C_NOESY_aliphatic_9
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D 1H-13C NOESY aliphatic'
   _Sample_label        $sample_1

save_


save_3D_1H-15N_NOESY_10
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D 1H-15N NOESY'
   _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

      'ionic strength' 100   . mM  
       pH                7.0 . pH  
       pressure          1   . atm 
       temperature     313   . 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
      _Correction_value_citation_label

      DSS C 13 'methyl protons' ppm 0.00 .        indirect . . . 0.251449530 $citations 
      DSS H  1 'methyl protons' ppm 0.00 internal direct   . . . 1.000000000 $citations 
      DSS N 15 'methyl protons' ppm 0.00 .        indirect . . . 0.101329118 $citations 

   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 CBCA(CO)NH'             
      '3D HNCACB'                 
      '3D C(CO)NH'                
      '3D HBHA(CO)NH'             
      '3D HCCH-COSY'              
      '3D 1H-13C NOESY aliphatic' 
      '3D 1H-15N NOESY'           

   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        Hsp12
   _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 SER HA   H   4.546 0.000 1 
         2   2   2 SER HB2  H   3.852 0.000 2 
         3   2   2 SER HB3  H   3.945 0.000 2 
         4   2   2 SER CA   C  58.499 0.000 1 
         5   2   2 SER CB   C  64.011 0.000 1 
         6   3   3 ASP HA   H   4.602 0.000 1 
         7   3   3 ASP HB2  H   2.638 0.000 2 
         8   3   3 ASP HB3  H   2.695 0.000 2 
         9   3   3 ASP C    C 176.010 0.000 1 
        10   3   3 ASP CA   C  54.736 0.000 1 
        11   3   3 ASP CB   C  41.269 0.000 1 
        12   4   4 ALA H    H   8.095 0.000 1 
        13   4   4 ALA HA   H   4.326 0.000 1 
        14   4   4 ALA HB   H   1.409 0.000 1 
        15   4   4 ALA C    C 178.097 0.000 1 
        16   4   4 ALA CA   C  52.847 0.000 1 
        17   4   4 ALA CB   C  19.323 0.000 1 
        18   4   4 ALA N    N 123.253 0.000 1 
        19   5   5 GLY H    H   8.167 0.000 1 
        20   5   5 GLY HA2  H   3.945 0.000 2 
        21   5   5 GLY HA3  H   3.973 0.000 2 
        22   5   5 GLY C    C 174.828 0.000 1 
        23   5   5 GLY CA   C  45.448 0.000 1 
        24   5   5 GLY N    N 107.651 0.000 1 
        25   6   6 ARG H    H   8.060 0.000 1 
        26   6   6 ARG HA   H   4.349 0.000 1 
        27   6   6 ARG HB2  H   1.810 0.000 2 
        28   6   6 ARG HB3  H   1.924 0.000 2 
        29   6   6 ARG HG2  H   1.677 0.000 2 
        30   6   6 ARG HG3  H   1.655 0.000 2 
        31   6   6 ARG HD2  H   3.206 0.000 2 
        32   6   6 ARG HD3  H   3.189 0.000 2 
        33   6   6 ARG C    C 176.562 0.000 1 
        34   6   6 ARG CA   C  56.399 0.000 1 
        35   6   6 ARG CB   C  30.831 0.000 1 
        36   6   6 ARG CG   C  27.408 0.000 1 
        37   6   6 ARG CD   C  43.544 0.000 1 
        38   6   6 ARG N    N 120.230 0.000 1 
        39   7   7 LYS H    H   8.181 0.000 1 
        40   7   7 LYS HA   H   4.257 0.000 1 
        41   7   7 LYS HB2  H   1.772 0.000 2 
        42   7   7 LYS HB3  H   1.790 0.000 2 
        43   7   7 LYS HG2  H   1.469 0.000 2 
        44   7   7 LYS HG3  H   1.457 0.000 2 
        45   7   7 LYS HD2  H   1.660 0.000 2 
        46   7   7 LYS HD3  H   1.664 0.000 2 
        47   7   7 LYS C    C 177.010 0.000 1 
        48   7   7 LYS CA   C  56.920 0.000 1 
        49   7   7 LYS CB   C  32.831 0.000 1 
        50   7   7 LYS CG   C  24.882 0.000 1 
        51   7   7 LYS CD   C  28.911 0.000 1 
        52   7   7 LYS N    N 121.076 0.000 1 
        53   8   8 GLY H    H   8.141 0.000 1 
        54   8   8 GLY HA2  H   3.947 0.000 2 
        55   8   8 GLY HA3  H   3.971 0.000 2 
        56   8   8 GLY C    C 174.828 0.000 1 
        57   8   8 GLY CA   C  45.829 0.000 1 
        58   8   8 GLY N    N 108.196 0.000 1 
        59   9   9 PHE H    H   8.072 0.000 1 
        60   9   9 PHE HA   H   4.392 0.000 1 
        61   9   9 PHE HB2  H   3.111 0.000 2 
        62   9   9 PHE HB3  H   3.152 0.000 2 
        63   9   9 PHE C    C 176.898 0.000 1 
        64   9   9 PHE CA   C  59.980 0.000 1 
        65   9   9 PHE CB   C  39.553 0.000 1 
        66   9   9 PHE N    N 120.374 0.000 1 
        67  10  10 GLY H    H   8.431 0.000 1 
        68  10  10 GLY HA2  H   3.708 0.000 2 
        69  10  10 GLY HA3  H   3.996 0.000 2 
        70  10  10 GLY C    C 175.441 0.000 1 
        71  10  10 GLY CA   C  46.822 0.000 1 
        72  10  10 GLY N    N 107.944 0.000 1 
        73  11  11 GLU H    H   8.003 0.000 1 
        74  11  11 GLU HA   H   4.100 0.000 1 
        75  11  11 GLU HB2  H   2.062 0.000 2 
        76  11  11 GLU HB3  H   2.060 0.000 2 
        77  11  11 GLU HG2  H   2.322 0.000 2 
        78  11  11 GLU HG3  H   2.235 0.000 2 
        79  11  11 GLU C    C 175.234 0.000 1 
        80  11  11 GLU CA   C  58.971 0.000 1 
        81  11  11 GLU CB   C  29.898 0.000 1 
        82  11  11 GLU CG   C  36.455 0.000 1 
        83  11  11 GLU N    N 121.098 0.000 1 
        84  12  12 LYS H    H   7.930 0.000 1 
        85  12  12 LYS HA   H   4.144 0.000 1 
        86  12  12 LYS HB2  H   1.840 0.000 2 
        87  12  12 LYS HB3  H   1.877 0.000 2 
        88  12  12 LYS HG2  H   1.460 0.000 2 
        89  12  12 LYS HG3  H   1.531 0.000 2 
        90  12  12 LYS HD2  H   1.683 0.000 2 
        91  12  12 LYS HD3  H   1.653 0.000 2 
        92  12  12 LYS C    C 178.520 0.000 1 
        93  12  12 LYS CA   C  58.337 0.000 1 
        94  12  12 LYS CB   C  32.394 0.000 1 
        95  12  12 LYS CG   C  25.211 0.000 1 
        96  12  12 LYS CD   C  28.911 0.000 1 
        97  12  12 LYS N    N 119.103 0.000 1 
        98  13  13 ALA H    H   8.216 0.000 1 
        99  13  13 ALA HA   H   4.011 0.000 1 
       100  13  13 ALA HB   H   1.323 0.000 1 
       101  13  13 ALA C    C 178.364 0.000 1 
       102  13  13 ALA CA   C  54.728 0.000 1 
       103  13  13 ALA CB   C  18.460 0.000 1 
       104  13  13 ALA N    N 121.534 0.000 1 
       105  14  14 SER H    H   8.000 0.000 1 
       106  14  14 SER HA   H   4.114 0.000 1 
       107  14  14 SER HB2  H   3.944 0.000 2 
       108  14  14 SER HB3  H   4.000 0.000 2 
       109  14  14 SER C    C 176.148 0.000 1 
       110  14  14 SER CA   C  61.159 0.000 1 
       111  14  14 SER CB   C  63.250 0.000 1 
       112  14  14 SER N    N 111.263 0.000 1 
       113  15  15 GLU H    H   7.724 0.000 1 
       114  15  15 GLU HA   H   4.166 0.000 1 
       115  15  15 GLU HB2  H   2.093 0.000 2 
       116  15  15 GLU HB3  H   2.114 0.000 2 
       117  15  15 GLU HG2  H   2.396 0.000 2 
       118  15  15 GLU HG3  H   2.302 0.000 2 
       119  15  15 GLU C    C 177.493 0.000 1 
       120  15  15 GLU CA   C  58.013 0.000 1 
       121  15  15 GLU CB   C  29.941 0.000 1 
       122  15  15 GLU CG   C  36.379 0.000 1 
       123  15  15 GLU N    N 119.902 0.000 1 
       124  16  16 ALA H    H   7.726 0.000 1 
       125  16  16 ALA HA   H   4.261 0.000 1 
       126  16  16 ALA HB   H   1.440 0.000 1 
       127  16  16 ALA C    C 177.933 0.000 1 
       128  16  16 ALA CA   C  53.775 0.000 1 
       129  16  16 ALA CB   C  19.544 0.000 1 
       130  16  16 ALA N    N 120.687 0.000 1 
       131  17  17 LEU H    H   7.634 0.000 1 
       132  17  17 LEU HA   H   4.359 0.000 1 
       133  17  17 LEU HB2  H   1.602 0.000 2 
       134  17  17 LEU HB3  H   1.723 0.000 2 
       135  17  17 LEU HG   H   1.724 0.000 1 
       136  17  17 LEU HD1  H   0.867 0.000 2 
       137  17  17 LEU HD2  H   0.838 0.000 2 
       138  17  17 LEU C    C 176.277 0.000 1 
       139  17  17 LEU CA   C  54.934 0.000 1 
       140  17  17 LEU CB   C  42.564 0.000 1 
       141  17  17 LEU CG   C  27.179 0.000 1 
       142  17  17 LEU CD1  C  25.538 0.000 1 
       143  17  17 LEU CD2  C  23.528 0.000 1 
       144  17  17 LEU N    N 116.559 0.000 1 
       145  18  18 LYS H    H   7.761 0.000 1 
       146  18  18 LYS HA   H   4.567 0.000 1 
       147  18  18 LYS HB2  H   1.822 0.000 2 
       148  18  18 LYS HB3  H   1.859 0.000 2 
       149  18  18 LYS HG2  H   1.485 0.000 2 
       150  18  18 LYS HG3  H   1.457 0.000 2 
       151  18  18 LYS HD2  H   1.691 0.000 2 
       152  18  18 LYS HD3  H   1.684 0.000 2 
       153  18  18 LYS HE2  H   3.003 0.000 1 
       154  18  18 LYS HE3  H   3.002 0.000 1 
       155  18  18 LYS CA   C  54.489 0.000 1 
       156  18  18 LYS CB   C  32.520 0.000 1 
       157  18  18 LYS CG   C  24.737 0.000 1 
       158  18  18 LYS CD   C  29.095 0.000 1 
       159  18  18 LYS CE   C  42.308 0.000 1 
       160  18  18 LYS N    N 120.269 0.000 1 
       161  19  19 PRO HA   H   4.443 0.000 1 
       162  19  19 PRO HB2  H   1.984 0.000 2 
       163  19  19 PRO HB3  H   2.292 0.000 2 
       164  19  19 PRO HG2  H   1.989 0.000 2 
       165  19  19 PRO HG3  H   2.053 0.000 2 
       166  19  19 PRO HD2  H   3.813 0.000 2 
       167  19  19 PRO HD3  H   3.700 0.000 2 
       168  19  19 PRO C    C 176.984 0.000 1 
       169  19  19 PRO CA   C  63.833 0.000 1 
       170  19  19 PRO CB   C  32.247 0.000 1 
       171  19  19 PRO CG   C  27.472 0.000 1 
       172  19  19 PRO CD   C  50.728 0.000 1 
       173  20  20 ASP H    H   8.383 0.000 1 
       174  20  20 ASP HA   H   4.602 0.000 1 
       175  20  20 ASP HB2  H   2.683 0.000 2 
       176  20  20 ASP HB3  H   2.732 0.000 2 
       177  20  20 ASP C    C 176.639 0.000 1 
       178  20  20 ASP CA   C  54.497 0.000 1 
       179  20  20 ASP CB   C  41.231 0.000 1 
       180  20  20 ASP N    N 119.103 0.000 1 
       181  21  21 SER H    H   8.054 0.000 1 
       182  21  21 SER HA   H   4.376 0.000 1 
       183  21  21 SER HB2  H   3.887 0.000 2 
       184  21  21 SER HB3  H   3.971 0.000 2 
       185  21  21 SER C    C 174.889 0.000 1 
       186  21  21 SER CA   C  59.093 0.000 1 
       187  21  21 SER CB   C  63.860 0.000 1 
       188  21  21 SER N    N 115.970 0.000 1 
       189  22  22 GLN H    H   8.452 0.000 1 
       190  22  22 GLN HA   H   4.278 0.000 1 
       191  22  22 GLN HB2  H   2.024 0.000 2 
       192  22  22 GLN HB3  H   2.175 0.000 2 
       193  22  22 GLN HG2  H   2.358 0.000 2 
       194  22  22 GLN HG3  H   2.347 0.000 2 
       195  22  22 GLN C    C 175.984 0.000 1 
       196  22  22 GLN CA   C  56.739 0.000 1 
       197  22  22 GLN CB   C  29.191 0.000 1 
       198  22  22 GLN CG   C  33.922 0.000 1 
       199  22  22 GLN N    N 120.766 0.000 1 
       200  23  23 LYS H    H   7.935 0.000 1 
       201  23  23 LYS HA   H   4.337 0.000 1 
       202  23  23 LYS HB2  H   1.648 0.000 2 
       203  23  23 LYS HB3  H   1.640 0.000 2 
       204  23  23 LYS HG2  H   1.371 0.000 2 
       205  23  23 LYS HG3  H   1.342 0.000 2 
       206  23  23 LYS HD2  H   1.605 0.000 2 
       207  23  23 LYS HD3  H   1.614 0.000 2 
       208  23  23 LYS HE2  H   2.941 0.000 2 
       209  23  23 LYS HE3  H   2.955 0.000 2 
       210  23  23 LYS C    C 176.191 0.000 1 
       211  23  23 LYS CA   C  56.208 0.000 1 
       212  23  23 LYS CB   C  33.736 0.000 1 
       213  23  23 LYS CG   C  24.971 0.000 1 
       214  23  23 LYS CD   C  29.286 0.000 1 
       215  23  23 LYS CE   C  42.319 0.000 1 
       216  23  23 LYS N    N 120.410 0.000 1 
       217  24  24 SER H    H   8.365 0.000 1 
       218  24  24 SER HA   H   4.492 0.000 1 
       219  24  24 SER HB2  H   3.929 0.000 2 
       220  24  24 SER HB3  H   4.126 0.000 2 
       221  24  24 SER C    C 175.717 0.000 1 
       222  24  24 SER CA   C  58.145 0.000 1 
       223  24  24 SER CB   C  63.815 0.000 1 
       224  24  24 SER N    N 117.302 0.000 1 
       225  25  25 TYR H    H   8.205 0.000 1 
       226  25  25 TYR HA   H   4.382 0.000 1 
       227  25  25 TYR HB2  H   3.012 0.000 2 
       228  25  25 TYR HB3  H   3.038 0.000 2 
       229  25  25 TYR C    C 177.752 0.000 1 
       230  25  25 TYR CA   C  60.945 0.000 1 
       231  25  25 TYR CB   C  37.821 0.000 1 
       232  25  25 TYR N    N 121.904 0.000 1 
       233  26  26 ALA H    H   8.233 0.000 1 
       234  26  26 ALA HA   H   4.057 0.000 1 
       235  26  26 ALA HB   H   1.487 0.000 1 
       236  26  26 ALA C    C 179.037 0.000 1 
       237  26  26 ALA CA   C  55.537 0.000 1 
       238  26  26 ALA CB   C  18.474 0.000 1 
       239  26  26 ALA N    N 121.123 0.000 1 
       240  27  27 GLU H    H   7.922 0.000 1 
       241  27  27 GLU HA   H   4.017 0.000 1 
       242  27  27 GLU HB2  H   2.076 0.000 2 
       243  27  27 GLU HB3  H   2.151 0.000 2 
       244  27  27 GLU HG2  H   2.285 0.000 2 
       245  27  27 GLU HG3  H   2.293 0.000 2 
       246  27  27 GLU C    C 179.166 0.000 1 
       247  27  27 GLU CA   C  59.478 0.000 1 
       248  27  27 GLU CB   C  29.866 0.000 1 
       249  27  27 GLU CG   C  36.551 0.000 1 
       250  27  27 GLU N    N 117.313 0.000 1 
       251  28  28 GLN H    H   8.179 0.000 1 
       252  28  28 GLN HA   H   4.188 0.000 1 
       253  28  28 GLN HB2  H   2.189 0.000 2 
       254  28  28 GLN HB3  H   2.201 0.000 2 
       255  28  28 GLN HG2  H   2.373 0.000 2 
       256  28  28 GLN HG3  H   2.489 0.000 2 
       257  28  28 GLN C    C 179.132 0.000 1 
       258  28  28 GLN CA   C  58.845 0.000 1 
       259  28  28 GLN CB   C  29.382 0.000 1 
       260  28  28 GLN CG   C  34.721 0.000 1 
       261  28  28 GLN N    N 118.602 0.000 1 
       262  29  29 GLY H    H   8.804 0.000 1 
       263  29  29 GLY HA2  H   3.691 0.000 2 
       264  29  29 GLY HA3  H   3.882 0.000 2 
       265  29  29 GLY C    C 174.518 0.000 1 
       266  29  29 GLY CA   C  47.586 0.000 1 
       267  29  29 GLY N    N 107.984 0.000 1 
       268  30  30 LYS H    H   8.406 0.000 1 
       269  30  30 LYS HA   H   3.961 0.000 1 
       270  30  30 LYS HB2  H   1.951 0.000 2 
       271  30  30 LYS HB3  H   2.022 0.000 2 
       272  30  30 LYS HG2  H   1.584 0.000 2 
       273  30  30 LYS HG3  H   1.428 0.000 2 
       274  30  30 LYS HD2  H   1.748 0.000 2 
       275  30  30 LYS HD3  H   1.761 0.000 2 
       276  30  30 LYS HE2  H   2.967 0.000 2 
       277  30  30 LYS HE3  H   2.950 0.000 2 
       278  30  30 LYS C    C 178.925 0.000 1 
       279  30  30 LYS CA   C  60.400 0.000 1 
       280  30  30 LYS CB   C  32.427 0.000 1 
       281  30  30 LYS CG   C  25.662 0.000 1 
       282  30  30 LYS CD   C  29.547 0.000 1 
       283  30  30 LYS CE   C  42.293 0.000 1 
       284  30  30 LYS N    N 121.339 0.000 1 
       285  31  31 GLU H    H   8.090 0.000 1 
       286  31  31 GLU HA   H   4.040 0.000 1 
       287  31  31 GLU HB2  H   2.156 0.000 2 
       288  31  31 GLU HB3  H   2.154 0.000 2 
       289  31  31 GLU HG2  H   2.302 0.000 1 
       290  31  31 GLU HG3  H   2.302 0.000 1 
       291  31  31 GLU C    C 177.761 0.000 1 
       292  31  31 GLU CA   C  59.531 0.000 1 
       293  31  31 GLU CB   C  29.531 0.000 1 
       294  31  31 GLU CG   C  36.492 0.000 1 
       295  31  31 GLU N    N 119.880 0.000 1 
       296  32  32 TYR H    H   8.052 0.000 1 
       297  32  32 TYR HA   H   4.271 0.000 1 
       298  32  32 TYR HB2  H   3.220 0.000 2 
       299  32  32 TYR HB3  H   3.241 0.000 2 
       300  32  32 TYR C    C 178.054 0.000 1 
       301  32  32 TYR CA   C  61.720 0.000 1 
       302  32  32 TYR CB   C  38.931 0.000 1 
       303  32  32 TYR N    N 119.786 0.000 1 
       304  33  33 ILE H    H   8.249 0.000 1 
       305  33  33 ILE HA   H   3.792 0.000 1 
       306  33  33 ILE HB   H   2.070 0.000 1 
       307  33  33 ILE HG12 H   1.423 0.000 2 
       308  33  33 ILE HG13 H   1.819 0.000 2 
       309  33  33 ILE HG2  H   0.999 0.000 1 
       310  33  33 ILE HD1  H   0.918 0.000 1 
       311  33  33 ILE C    C 177.519 0.000 1 
       312  33  33 ILE CA   C  64.019 0.000 1 
       313  33  33 ILE CB   C  38.111 0.000 1 
       314  33  33 ILE CG1  C  28.999 0.000 1 
       315  33  33 ILE CG2  C  18.082 0.000 1 
       316  33  33 ILE CD1  C  13.171 0.000 1 
       317  33  33 ILE N    N 116.856 0.000 1 
       318  34  34 THR H    H   8.254 0.000 1 
       319  34  34 THR HA   H   3.934 0.000 1 
       320  34  34 THR HB   H   4.299 0.000 1 
       321  34  34 THR HG2  H   1.329 0.000 1 
       322  34  34 THR C    C 176.579 0.000 1 
       323  34  34 THR CA   C  66.459 0.000 1 
       324  34  34 THR CB   C  68.845 0.000 1 
       325  34  34 THR CG2  C  21.891 0.000 1 
       326  34  34 THR N    N 114.203 0.000 1 
       327  35  35 ASP H    H   7.880 0.000 1 
       328  35  35 ASP HA   H   4.496 0.000 1 
       329  35  35 ASP HB2  H   2.645 0.000 2 
       330  35  35 ASP HB3  H   2.841 0.000 2 
       331  35  35 ASP C    C 177.933 0.000 1 
       332  35  35 ASP CA   C  57.062 0.000 1 
       333  35  35 ASP CB   C  41.828 0.000 1 
       334  35  35 ASP N    N 121.116 0.000 1 
       335  36  36 LYS H    H   7.677 0.000 1 
       336  36  36 LYS HA   H   4.157 0.000 1 
       337  36  36 LYS HB2  H   1.807 0.000 2 
       338  36  36 LYS HB3  H   1.833 0.000 2 
       339  36  36 LYS HG2  H   1.236 0.000 2 
       340  36  36 LYS HG3  H   1.444 0.000 2 
       341  36  36 LYS HD2  H   1.479 0.000 2 
       342  36  36 LYS HD3  H   1.494 0.000 2 
       343  36  36 LYS HE2  H   2.963 0.000 2 
       344  36  36 LYS HE3  H   2.713 0.000 2 
       345  36  36 LYS C    C 177.968 0.000 1 
       346  36  36 LYS CA   C  56.871 0.000 1 
       347  36  36 LYS CB   C  31.913 0.000 1 
       348  36  36 LYS CG   C  24.295 0.000 1 
       349  36  36 LYS CD   C  27.733 0.000 1 
       350  36  36 LYS CE   C  42.515 0.000 1 
       351  36  36 LYS N    N 116.457 0.000 1 
       352  37  37 ALA H    H   8.296 0.000 1 
       353  37  37 ALA HA   H   4.005 0.000 1 
       354  37  37 ALA HB   H   1.503 0.000 1 
       355  37  37 ALA C    C 178.795 0.000 1 
       356  37  37 ALA CA   C  55.331 0.000 1 
       357  37  37 ALA CB   C  18.474 0.000 1 
       358  37  37 ALA N    N 121.588 0.000 1 
       359  38  38 ASP H    H   8.046 0.000 1 
       360  38  38 ASP HA   H   4.409 0.000 1 
       361  38  38 ASP HB2  H   2.701 0.000 2 
       362  38  38 ASP HB3  H   2.811 0.000 2 
       363  38  38 ASP C    C 178.347 0.000 1 
       364  38  38 ASP CA   C  56.729 0.000 1 
       365  38  38 ASP CB   C  41.048 0.000 1 
       366  38  38 ASP N    N 116.490 0.000 1 
       367  39  39 LYS H    H   7.757 0.000 1 
       368  39  39 LYS HA   H   4.148 0.000 1 
       369  39  39 LYS HB2  H   1.949 0.000 2 
       370  39  39 LYS HB3  H   1.972 0.000 2 
       371  39  39 LYS HG2  H   1.512 0.000 2 
       372  39  39 LYS HG3  H   1.602 0.000 2 
       373  39  39 LYS HD2  H   1.826 0.000 2 
       374  39  39 LYS HD3  H   1.689 0.000 2 
       375  39  39 LYS HE2  H   2.700 0.000 2 
       376  39  39 LYS HE3  H   2.955 0.000 2 
       377  39  39 LYS C    C 178.588 0.000 1 
       378  39  39 LYS CA   C  58.226 0.000 1 
       379  39  39 LYS CB   C  32.657 0.000 1 
       380  39  39 LYS CG   C  24.227 0.000 1 
       381  39  39 LYS CD   C  27.705 0.000 1 
       382  39  39 LYS CE   C  42.547 0.000 1 
       383  39  39 LYS N    N 118.627 0.000 1 
       384  40  40 VAL H    H   7.792 0.000 1 
       385  40  40 VAL HA   H   3.909 0.000 1 
       386  40  40 VAL HB   H   2.203 0.000 1 
       387  40  40 VAL HG1  H   0.952 0.000 2 
       388  40  40 VAL HG2  H   1.022 0.000 2 
       389  40  40 VAL C    C 176.683 0.000 1 
       390  40  40 VAL CA   C  64.408 0.000 1 
       391  40  40 VAL CB   C  32.334 0.000 1 
       392  40  40 VAL CG1  C  21.872 0.000 1 
       393  40  40 VAL CG2  C  21.978 0.000 1 
       394  40  40 VAL N    N 116.146 0.000 1 
       395  41  41 ALA H    H   8.094 0.000 1 
       396  41  41 ALA HA   H   4.123 0.000 1 
       397  41  41 ALA HB   H   1.479 0.000 1 
       398  41  41 ALA C    C 179.106 0.000 1 
       399  41  41 ALA CA   C  54.529 0.000 1 
       400  41  41 ALA CB   C  18.601 0.000 1 
       401  41  41 ALA N    N 122.561 0.000 1 
       402  42  42 GLY H    H   8.044 0.000 1 
       403  42  42 GLY HA2  H   3.940 0.000 2 
       404  42  42 GLY HA3  H   3.972 0.000 2 
       405  42  42 GLY C    C 174.941 0.000 1 
       406  42  42 GLY CA   C  46.027 0.000 1 
       407  42  42 GLY N    N 105.072 0.000 1 
       408  43  43 LYS H    H   7.834 0.000 1 
       409  43  43 LYS HA   H   4.341 0.000 1 
       410  43  43 LYS HB2  H   1.920 0.000 2 
       411  43  43 LYS HB3  H   1.936 0.000 2 
       412  43  43 LYS HG2  H   1.504 0.000 2 
       413  43  43 LYS HG3  H   1.488 0.000 2 
       414  43  43 LYS HD2  H   1.698 0.000 2 
       415  43  43 LYS HD3  H   1.710 0.000 2 
       416  43  43 LYS C    C 176.631 0.000 1 
       417  43  43 LYS CA   C  56.797 0.000 1 
       418  43  43 LYS CB   C  33.396 0.000 1 
       419  43  43 LYS CG   C  24.946 0.000 1 
       420  43  43 LYS CD   C  28.866 0.000 1 
       421  43  43 LYS N    N 119.123 0.000 1 
       422  44  44 VAL H    H   7.650 0.000 1 
       423  44  44 VAL HA   H   4.146 0.000 1 
       424  44  44 VAL HB   H   2.160 0.000 1 
       425  44  44 VAL HG1  H   0.956 0.000 2 
       426  44  44 VAL HG2  H   0.928 0.000 2 
       427  44  44 VAL C    C 175.018 0.000 1 
       428  44  44 VAL CA   C  62.331 0.000 1 
       429  44  44 VAL CB   C  32.641 0.000 1 
       430  44  44 VAL CG1  C  20.871 0.000 1 
       431  44  44 VAL CG2  C  21.658 0.000 1 
       432  44  44 VAL N    N 116.413 0.000 1 
       433  45  45 GLN H    H   8.154 0.000 1 
       434  45  45 GLN HA   H   4.659 0.000 1 
       435  45  45 GLN HB2  H   2.111 0.000 2 
       436  45  45 GLN HB3  H   1.977 0.000 2 
       437  45  45 GLN HG2  H   2.356 0.000 2 
       438  45  45 GLN HG3  H   2.349 0.000 2 
       439  45  45 GLN CA   C  53.664 0.000 1 
       440  45  45 GLN CB   C  29.329 0.000 1 
       441  45  45 GLN CG   C  33.883 0.000 1 
       442  45  45 GLN N    N 122.078 0.000 1 
       443  46  46 PRO HA   H   4.433 0.000 1 
       444  46  46 PRO HB2  H   1.987 0.000 2 
       445  46  46 PRO HB3  H   2.292 0.000 2 
       446  46  46 PRO HG2  H   1.958 0.000 2 
       447  46  46 PRO HG3  H   2.047 0.000 2 
       448  46  46 PRO HD2  H   3.725 0.000 1 
       449  46  46 PRO HD3  H   3.725 0.000 1 
       450  46  46 PRO C    C 177.329 0.000 1 
       451  46  46 PRO CA   C  63.754 0.000 1 
       452  46  46 PRO CB   C  32.231 0.000 1 
       453  46  46 PRO CG   C  27.520 0.000 1 
       454  46  46 PRO CD   C  50.688 0.000 1 
       455  47  47 GLU H    H   8.491 0.000 1 
       456  47  47 GLU HA   H   4.211 0.000 1 
       457  47  47 GLU HB2  H   1.970 0.000 2 
       458  47  47 GLU HB3  H   2.051 0.000 2 
       459  47  47 GLU HG2  H   2.265 0.000 2 
       460  47  47 GLU HG3  H   2.289 0.000 2 
       461  47  47 GLU C    C 176.484 0.000 1 
       462  47  47 GLU CA   C  57.468 0.000 1 
       463  47  47 GLU CB   C  30.329 0.000 1 
       464  47  47 GLU CG   C  36.414 0.000 1 
       465  47  47 GLU N    N 119.456 0.000 1 
       466  48  48 ASP H    H   8.137 0.000 1 
       467  48  48 ASP HA   H   4.585 0.000 1 
       468  48  48 ASP HB2  H   2.618 0.000 2 
       469  48  48 ASP HB3  H   2.721 0.000 2 
       470  48  48 ASP C    C 175.863 0.000 1 
       471  48  48 ASP CA   C  54.579 0.000 1 
       472  48  48 ASP CB   C  41.131 0.000 1 
       473  48  48 ASP N    N 119.108 0.000 1 
       474  49  49 ASN H    H   8.173 0.000 1 
       475  49  49 ASN HA   H   4.665 0.000 1 
       476  49  49 ASN HB2  H   2.776 0.000 2 
       477  49  49 ASN HB3  H   2.860 0.000 2 
       478  49  49 ASN C    C 174.975 0.000 1 
       479  49  49 ASN CA   C  53.728 0.000 1 
       480  49  49 ASN CB   C  39.131 0.000 1 
       481  49  49 ASN N    N 117.714 0.000 1 
       482  50  50 LYS H    H   8.098 0.000 1 
       483  50  50 LYS HA   H   4.308 0.000 1 
       484  50  50 LYS HB2  H   1.813 0.000 2 
       485  50  50 LYS HB3  H   1.880 0.000 2 
       486  50  50 LYS C    C 176.950 0.000 1 
       487  50  50 LYS CA   C  56.828 0.000 1 
       488  50  50 LYS CB   C  33.031 0.000 1 
       489  50  50 LYS N    N 120.215 0.000 1 
       490  51  51 GLY H    H   8.295 0.000 1 
       491  51  51 GLY HA2  H   4.025 0.000 2 
       492  51  51 GLY HA3  H   4.053 0.000 2 
       493  51  51 GLY C    C 175.251 0.000 1 
       494  51  51 GLY CA   C  45.913 0.000 1 
       495  51  51 GLY N    N 109.286 0.000 1 
       496  52  52 VAL H    H   7.940 0.000 1 
       497  52  52 VAL HA   H   3.864 0.000 1 
       498  52  52 VAL HB   H   1.916 0.000 1 
       499  52  52 VAL HG1  H   0.805 0.000 2 
       500  52  52 VAL HG2  H   0.646 0.000 2 
       501  52  52 VAL C    C 176.372 0.000 1 
       502  52  52 VAL CA   C  64.346 0.000 1 
       503  52  52 VAL CB   C  32.230 0.000 1 
       504  52  52 VAL CG1  C  21.194 0.000 1 
       505  52  52 VAL CG2  C  21.000 0.000 1 
       506  52  52 VAL N    N 119.528 0.000 1 
       507  53  53 PHE H    H   8.046 0.000 1 
       508  53  53 PHE HA   H   4.593 0.000 1 
       509  53  53 PHE HB2  H   3.065 0.000 2 
       510  53  53 PHE HB3  H   3.283 0.000 2 
       511  53  53 PHE C    C 176.441 0.000 1 
       512  53  53 PHE CA   C  58.676 0.000 1 
       513  53  53 PHE CB   C  38.635 0.000 1 
       514  53  53 PHE N    N 118.265 0.000 1 
       515  54  54 GLN H    H   7.978 0.000 1 
       516  54  54 GLN HA   H   4.171 0.000 1 
       517  54  54 GLN HB2  H   2.113 0.000 2 
       518  54  54 GLN HB3  H   2.141 0.000 2 
       519  54  54 GLN HG2  H   2.327 0.000 2 
       520  54  54 GLN HG3  H   2.445 0.000 2 
       521  54  54 GLN C    C 177.166 0.000 1 
       522  54  54 GLN CA   C  57.549 0.000 1 
       523  54  54 GLN CB   C  29.499 0.000 1 
       524  54  54 GLN CG   C  34.600 0.000 1 
       525  54  54 GLN N    N 119.441 0.000 1 
       526  55  55 GLY H    H   8.120 0.000 1 
       527  55  55 GLY HA2  H   3.954 0.000 2 
       528  55  55 GLY HA3  H   3.974 0.000 2 
       529  55  55 GLY C    C 175.294 0.000 1 
       530  55  55 GLY CA   C  46.188 0.000 1 
       531  55  55 GLY N    N 107.822 0.000 1 
       532  56  56 VAL H    H   7.774 0.000 1 
       533  56  56 VAL HA   H   3.972 0.000 1 
       534  56  56 VAL HB   H   2.124 0.000 1 
       535  56  56 VAL HG1  H   0.967 0.000 2 
       536  56  56 VAL HG2  H   0.898 0.000 2 
       537  56  56 VAL C    C 176.527 0.000 1 
       538  56  56 VAL CA   C  64.004 0.000 1 
       539  56  56 VAL CB   C  32.192 0.000 1 
       540  56  56 VAL CG1  C  21.424 0.000 1 
       541  56  56 VAL CG2  C  21.375 0.000 1 
       542  56  56 VAL N    N 119.174 0.000 1 
       543  57  57 HIS H    H   8.201 0.000 1 
       544  57  57 HIS HA   H   4.542 0.000 1 
       545  57  57 HIS HB2  H   3.112 0.000 2 
       546  57  57 HIS HB3  H   3.290 0.000 2 
       547  57  57 HIS CA   C  56.973 0.000 1 
       548  57  57 HIS CB   C  29.608 0.000 1 
       549  57  57 HIS N    N 119.221 0.000 1 
       550  58  58 ASP HA   H   4.580 0.000 1 
       551  58  58 ASP HB2  H   2.690 0.000 2 
       552  58  58 ASP HB3  H   2.711 0.000 2 
       553  58  58 ASP C    C 177.097 0.000 1 
       554  58  58 ASP CA   C  55.021 0.000 1 
       555  58  58 ASP CB   C  41.236 0.000 1 
       556  59  59 SER H    H   8.134 0.000 1 
       557  59  59 SER HA   H   4.372 0.000 1 
       558  59  59 SER HB2  H   3.887 0.000 2 
       559  59  59 SER HB3  H   3.974 0.000 2 
       560  59  59 SER C    C 175.087 0.000 1 
       561  59  59 SER CA   C  59.207 0.000 1 
       562  59  59 SER CB   C  63.780 0.000 1 
       563  59  59 SER N    N 116.347 0.000 1 
       564  60  60 ALA H    H   8.203 0.000 1 
       565  60  60 ALA HA   H   4.253 0.000 1 
       566  60  60 ALA HB   H   1.429 0.000 1 
       567  60  60 ALA C    C 178.192 0.000 1 
       568  60  60 ALA CA   C  53.561 0.000 1 
       569  60  60 ALA CB   C  19.078 0.000 1 
       570  60  60 ALA N    N 125.097 0.000 1 
       571  61  61 GLU H    H   8.095 0.000 1 
       572  61  61 GLU HA   H   4.200 0.000 1 
       573  61  61 GLU HB2  H   2.077 0.000 2 
       574  61  61 GLU HB3  H   1.966 0.000 2 
       575  61  61 GLU HG2  H   2.302 0.000 2 
       576  61  61 GLU HG3  H   2.267 0.000 2 
       577  61  61 GLU C    C 177.036 0.000 1 
       578  61  61 GLU CA   C  57.224 0.000 1 
       579  61  61 GLU CB   C  30.228 0.000 1 
       580  61  61 GLU CG   C  36.357 0.000 1 
       581  61  61 GLU N    N 118.432 0.000 1 
       582  62  62 LYS H    H   7.969 0.000 1 
       583  62  62 LYS HA   H   4.297 0.000 1 
       584  62  62 LYS HB2  H   1.820 0.000 2 
       585  62  62 LYS HB3  H   1.882 0.000 2 
       586  62  62 LYS HG2  H   1.379 0.000 2 
       587  62  62 LYS HG3  H   1.362 0.000 2 
       588  62  62 LYS C    C 177.450 0.000 1 
       589  62  62 LYS CA   C  56.826 0.000 1 
       590  62  62 LYS CB   C  32.943 0.000 1 
       591  62  62 LYS CG   C  24.875 0.000 1 
       592  62  62 LYS N    N 120.770 0.000 1 
       593  63  63 GLY H    H   8.287 0.000 1 
       594  63  63 GLY HA2  H   3.924 0.000 2 
       595  63  63 GLY HA3  H   3.962 0.000 2 
       596  63  63 GLY C    C 174.432 0.000 1 
       597  63  63 GLY CA   C  45.751 0.000 1 
       598  63  63 GLY N    N 108.912 0.000 1 
       599  64  64 LYS H    H   8.019 0.000 1 
       600  64  64 LYS HA   H   4.298 0.000 1 
       601  64  64 LYS HB2  H   1.771 0.000 2 
       602  64  64 LYS HB3  H   1.866 0.000 2 
       603  64  64 LYS HG2  H   1.409 0.000 2 
       604  64  64 LYS HG3  H   1.362 0.000 2 
       605  64  64 LYS C    C 176.622 0.000 1 
       606  64  64 LYS CA   C  56.731 0.000 1 
       607  64  64 LYS CB   C  33.117 0.000 1 
       608  64  64 LYS CG   C  24.882 0.000 1 
       609  64  64 LYS N    N 120.529 0.000 1 
       610  65  65 ASP H    H   8.296 0.000 1 
       611  65  65 ASP HA   H   4.580 0.000 1 
       612  65  65 ASP HB2  H   2.628 0.000 2 
       613  65  65 ASP HB3  H   2.703 0.000 2 
       614  65  65 ASP C    C 176.226 0.000 1 
       615  65  65 ASP CA   C  54.783 0.000 1 
       616  65  65 ASP CB   C  41.172 0.000 1 
       617  65  65 ASP N    N 120.673 0.000 1 
       618  66  66 ASN H    H   8.212 0.000 1 
       619  66  66 ASN HA   H   4.690 0.000 1 
       620  66  66 ASN HB2  H   2.768 0.000 2 
       621  66  66 ASN HB3  H   2.842 0.000 2 
       622  66  66 ASN C    C 175.217 0.000 1 
       623  66  66 ASN CA   C  53.475 0.000 1 
       624  66  66 ASN CB   C  39.117 0.000 1 
       625  66  66 ASN N    N 118.902 0.000 1 
       626  67  67 ALA H    H   8.212 0.000 1 
       627  67  67 ALA HA   H   4.300 0.000 1 
       628  67  67 ALA HB   H   1.400 0.000 1 
       629  67  67 ALA C    C 177.890 0.000 1 
       630  67  67 ALA CA   C  53.053 0.000 1 
       631  67  67 ALA CB   C  19.427 0.000 1 
       632  67  67 ALA N    N 124.149 0.000 1 
       633  68  68 GLU H    H   8.286 0.000 1 
       634  68  68 GLU HA   H   4.271 0.000 1 
       635  68  68 GLU HB2  H   1.980 0.000 2 
       636  68  68 GLU HB3  H   2.079 0.000 2 
       637  68  68 GLU HG2  H   2.298 0.000 2 
       638  68  68 GLU HG3  H   2.277 0.000 2 
       639  68  68 GLU C    C 177.243 0.000 1 
       640  68  68 GLU CA   C  56.797 0.000 1 
       641  68  68 GLU CB   C  30.159 0.000 1 
       642  68  68 GLU CG   C  36.362 0.000 1 
       643  68  68 GLU N    N 119.216 0.000 1 
       644  69  69 GLY H    H   8.293 0.000 1 
       645  69  69 GLY HA2  H   3.976 0.000 2 
       646  69  69 GLY HA3  H   3.996 0.000 2 
       647  69  69 GLY C    C 174.371 0.000 1 
       648  69  69 GLY CA   C  45.634 0.000 1 
       649  69  69 GLY N    N 109.637 0.000 1 
       650  70  70 GLN H    H   8.201 0.000 1 
       651  70  70 GLN HA   H   4.393 0.000 1 
       652  70  70 GLN HB2  H   2.008 0.000 2 
       653  70  70 GLN HB3  H   2.174 0.000 2 
       654  70  70 GLN HG2  H   2.358 0.000 2 
       655  70  70 GLN HG3  H   2.367 0.000 2 
       656  70  70 GLN C    C 176.502 0.000 1 
       657  70  70 GLN CA   C  56.046 0.000 1 
       658  70  70 GLN CB   C  29.627 0.000 1 
       659  70  70 GLN CG   C  33.911 0.000 1 
       660  70  70 GLN N    N 119.629 0.000 1 
       661  71  71 GLY H    H   8.424 0.000 1 
       662  71  71 GLY HA2  H   3.948 0.000 2 
       663  71  71 GLY HA3  H   3.972 0.000 2 
       664  71  71 GLY C    C 173.992 0.000 1 
       665  71  71 GLY CA   C  45.634 0.000 1 
       666  71  71 GLY N    N 109.977 0.000 1 
       667  72  72 GLU H    H   8.244 0.000 1 
       668  72  72 GLU HA   H   4.411 0.000 1 
       669  72  72 GLU HB2  H   1.945 0.000 2 
       670  72  72 GLU HB3  H   2.094 0.000 2 
       671  72  72 GLU HG2  H   2.278 0.000 2 
       672  72  72 GLU HG3  H   2.262 0.000 2 
       673  72  72 GLU C    C 176.639 0.000 1 
       674  72  72 GLU CA   C  56.618 0.000 1 
       675  72  72 GLU CB   C  30.731 0.000 1 
       676  72  72 GLU CG   C  36.325 0.000 1 
       677  72  72 GLU N    N 120.532 0.000 1 
       678  73  73 SER H    H   8.689 0.000 1 
       679  73  73 SER HA   H   4.589 0.000 1 
       680  73  73 SER HB2  H   3.991 0.000 2 
       681  73  73 SER HB3  H   4.221 0.000 2 
       682  73  73 SER C    C 175.475 0.000 1 
       683  73  73 SER CA   C  58.064 0.000 1 
       684  73  73 SER CB   C  64.761 0.000 1 
       685  73  73 SER N    N 117.827 0.000 1 
       686  74  74 LEU H    H   8.514 0.000 1 
       687  74  74 LEU HA   H   4.201 0.000 1 
       688  74  74 LEU HB2  H   1.608 0.000 2 
       689  74  74 LEU HB3  H   1.825 0.000 2 
       690  74  74 LEU HG   H   1.746 0.000 1 
       691  74  74 LEU HD1  H   0.981 0.000 2 
       692  74  74 LEU HD2  H   0.923 0.000 2 
       693  74  74 LEU C    C 178.735 0.000 1 
       694  74  74 LEU CA   C  57.895 0.000 1 
       695  74  74 LEU CB   C  41.934 0.000 1 
       696  74  74 LEU CG   C  27.403 0.000 1 
       697  74  74 LEU CD1  C  24.955 0.000 1 
       698  74  74 LEU CD2  C  24.339 0.000 1 
       699  74  74 LEU N    N 124.414 0.000 1 
       700  75  75 ALA H    H   8.160 0.000 1 
       701  75  75 ALA HA   H   3.990 0.000 1 
       702  75  75 ALA HB   H   1.429 0.000 1 
       703  75  75 ALA C    C 179.046 0.000 1 
       704  75  75 ALA CA   C  55.267 0.000 1 
       705  75  75 ALA CB   C  18.594 0.000 1 
       706  75  75 ALA N    N 120.291 0.000 1 
       707  76  76 ASP H    H   7.773 0.000 1 
       708  76  76 ASP HA   H   4.406 0.000 1 
       709  76  76 ASP HB2  H   2.740 0.000 2 
       710  76  76 ASP HB3  H   2.809 0.000 2 
       711  76  76 ASP C    C 178.476 0.000 1 
       712  76  76 ASP CA   C  57.133 0.000 1 
       713  76  76 ASP CB   C  40.652 0.000 1 
       714  76  76 ASP N    N 117.288 0.000 1 
       715  77  77 GLN H    H   7.994 0.000 1 
       716  77  77 GLN HA   H   4.162 0.000 1 
       717  77  77 GLN HB2  H   2.162 0.000 2 
       718  77  77 GLN HB3  H   2.169 0.000 2 
       719  77  77 GLN HG2  H   2.311 0.000 2 
       720  77  77 GLN HG3  H   2.306 0.000 2 
       721  77  77 GLN C    C 178.037 0.000 1 
       722  77  77 GLN CA   C  58.381 0.000 1 
       723  77  77 GLN CB   C  29.480 0.000 1 
       724  77  77 GLN CG   C  34.640 0.000 1 
       725  77  77 GLN N    N 119.454 0.000 1 
       726  78  78 ALA H    H   8.498 0.000 1 
       727  78  78 ALA HA   H   4.149 0.000 1 
       728  78  78 ALA HB   H   1.500 0.000 1 
       729  78  78 ALA C    C 178.977 0.000 1 
       730  78  78 ALA CA   C  55.131 0.000 1 
       731  78  78 ALA CB   C  18.655 0.000 1 
       732  78  78 ALA N    N 121.577 0.000 1 
       733  79  79 ARG H    H   8.101 0.000 1 
       734  79  79 ARG HA   H   4.012 0.000 1 
       735  79  79 ARG HB2  H   1.922 0.000 2 
       736  79  79 ARG HB3  H   1.972 0.000 2 
       737  79  79 ARG HG2  H   1.643 0.000 2 
       738  79  79 ARG HG3  H   1.875 0.000 2 
       739  79  79 ARG HD2  H   3.281 0.000 2 
       740  79  79 ARG HD3  H   3.233 0.000 2 
       741  79  79 ARG C    C 175.449 0.000 1 
       742  79  79 ARG CA   C  59.503 0.000 1 
       743  79  79 ARG CB   C  30.146 0.000 1 
       744  79  79 ARG CG   C  28.414 0.000 1 
       745  79  79 ARG CD   C  43.481 0.000 1 
       746  79  79 ARG N    N 117.138 0.000 1 
       747  80  80 ASP H    H   8.000 0.000 1 
       748  80  80 ASP HA   H   4.513 0.000 1 
       749  80  80 ASP HB2  H   2.612 0.000 2 
       750  80  80 ASP HB3  H   2.708 0.000 2 
       751  80  80 ASP C    C 178.882 0.000 1 
       752  80  80 ASP CA   C  56.876 0.000 1 
       753  80  80 ASP CB   C  40.328 0.000 1 
       754  80  80 ASP N    N 120.784 0.000 1 
       755  81  81 TYR H    H   8.127 0.000 1 
       756  81  81 TYR HA   H   4.431 0.000 1 
       757  81  81 TYR HB2  H   3.092 0.000 2 
       758  81  81 TYR HB3  H   3.104 0.000 2 
       759  81  81 TYR C    C 177.855 0.000 1 
       760  81  81 TYR CA   C  60.834 0.000 1 
       761  81  81 TYR CB   C  38.478 0.000 1 
       762  81  81 TYR N    N 120.298 0.000 1 
       763  82  82 MET H    H   8.382 0.000 1 
       764  82  82 MET HA   H   4.239 0.000 1 
       765  82  82 MET HB2  H   2.186 0.000 2 
       766  82  82 MET HB3  H   2.262 0.000 2 
       767  82  82 MET HG2  H   2.612 0.000 2 
       768  82  82 MET HG3  H   2.743 0.000 2 
       769  82  82 MET C    C 178.175 0.000 1 
       770  82  82 MET CA   C  58.757 0.000 1 
       771  82  82 MET CB   C  32.631 0.000 1 
       772  82  82 MET CG   C  32.969 0.000 1 
       773  82  82 MET N    N 118.452 0.000 1 
       774  83  83 GLY H    H   8.308 0.000 1 
       775  83  83 GLY HA2  H   3.863 0.000 2 
       776  83  83 GLY HA3  H   4.014 0.000 2 
       777  83  83 GLY C    C 176.717 0.000 1 
       778  83  83 GLY CA   C  47.331 0.000 1 
       779  83  83 GLY N    N 106.740 0.000 1 
       780  84  84 ALA H    H   7.905 0.000 1 
       781  84  84 ALA HA   H   4.287 0.000 1 
       782  84  84 ALA HB   H   1.576 0.000 1 
       783  84  84 ALA C    C 180.149 0.000 1 
       784  84  84 ALA CA   C  54.648 0.000 1 
       785  84  84 ALA CB   C  18.541 0.000 1 
       786  84  84 ALA N    N 125.357 0.000 1 
       787  85  85 ALA H    H   8.341 0.000 1 
       788  85  85 ALA HA   H   4.025 0.000 1 
       789  85  85 ALA HB   H   1.525 0.000 1 
       790  85  85 ALA C    C 178.847 0.000 1 
       791  85  85 ALA CA   C  55.283 0.000 1 
       792  85  85 ALA CB   C  18.487 0.000 1 
       793  85  85 ALA N    N 121.332 0.000 1 
       794  86  86 LYS H    H   8.360 0.000 1 
       795  86  86 LYS HA   H   3.872 0.000 1 
       796  86  86 LYS HB2  H   1.956 0.000 2 
       797  86  86 LYS HB3  H   2.028 0.000 2 
       798  86  86 LYS HG2  H   1.607 0.000 2 
       799  86  86 LYS HG3  H   1.515 0.000 2 
       800  86  86 LYS HD2  H   1.800 0.000 2 
       801  86  86 LYS HD3  H   1.743 0.000 2 
       802  86  86 LYS C    C 178.485 0.000 1 
       803  86  86 LYS CA   C  60.193 0.000 1 
       804  86  86 LYS CB   C  32.331 0.000 1 
       805  86  86 LYS CG   C  25.376 0.000 1 
       806  86  86 LYS CD   C  29.568 0.000 1 
       807  86  86 LYS N    N 116.980 0.000 1 
       808  87  87 SER H    H   7.863 0.000 1 
       809  87  87 SER HA   H   4.299 0.000 1 
       810  87  87 SER HB2  H   4.056 0.000 2 
       811  87  87 SER HB3  H   4.042 0.000 2 
       812  87  87 SER C    C 176.467 0.000 1 
       813  87  87 SER CA   C  61.614 0.000 1 
       814  87  87 SER CB   C  63.064 0.000 1 
       815  87  87 SER N    N 113.632 0.000 1 
       816  88  88 LYS H    H   7.843 0.000 1 
       817  88  88 LYS HA   H   4.345 0.000 1 
       818  88  88 LYS HB2  H   1.929 0.000 2 
       819  88  88 LYS HB3  H   2.012 0.000 2 
       820  88  88 LYS HG2  H   1.615 0.000 2 
       821  88  88 LYS HG3  H   1.569 0.000 2 
       822  88  88 LYS HD2  H   1.710 0.000 2 
       823  88  88 LYS HD3  H   1.808 0.000 2 
       824  88  88 LYS HE2  H   2.990 0.000 2 
       825  88  88 LYS HE3  H   2.998 0.000 2 
       826  88  88 LYS C    C 178.502 0.000 1 
       827  88  88 LYS CA   C  57.696 0.000 1 
       828  88  88 LYS CB   C  32.011 0.000 1 
       829  88  88 LYS CG   C  24.875 0.000 1 
       830  88  88 LYS CD   C  28.366 0.000 1 
       831  88  88 LYS CE   C  42.349 0.000 1 
       832  88  88 LYS N    N 120.925 0.000 1 
       833  89  89 LEU H    H   8.174 0.000 1 
       834  89  89 LEU HA   H   4.105 0.000 1 
       835  89  89 LEU HB2  H   1.822 0.000 2 
       836  89  89 LEU HB3  H   1.812 0.000 2 
       837  89  89 LEU HG   H   1.808 0.000 1 
       838  89  89 LEU HD1  H   0.932 0.000 2 
       839  89  89 LEU HD2  H   0.920 0.000 2 
       840  89  89 LEU C    C 178.209 0.000 1 
       841  89  89 LEU CA   C  58.197 0.000 1 
       842  89  89 LEU CB   C  41.631 0.000 1 
       843  89  89 LEU CG   C  27.169 0.000 1 
       844  89  89 LEU CD1  C  24.760 0.000 1 
       845  89  89 LEU CD2  C  24.711 0.000 1 
       846  89  89 LEU N    N 119.955 0.000 1 
       847  90  90 ASN H    H   8.223 0.000 1 
       848  90  90 ASN HA   H   4.393 0.000 1 
       849  90  90 ASN HB2  H   2.947 0.000 2 
       850  90  90 ASN HB3  H   2.927 0.000 2 
       851  90  90 ASN C    C 174.164 0.000 1 
       852  90  90 ASN CA   C  57.166 0.000 1 
       853  90  90 ASN CB   C  38.952 0.000 1 
       854  90  90 ASN N    N 117.013 0.000 1 
       855  91  91 ASP H    H   8.043 0.000 1 
       856  91  91 ASP HA   H   4.457 0.000 1 
       857  91  91 ASP HB2  H   2.945 0.000 2 
       858  91  91 ASP HB3  H   2.737 0.000 2 
       859  91  91 ASP C    C 178.804 0.000 1 
       860  91  91 ASP CA   C  57.438 0.000 1 
       861  91  91 ASP CB   C  40.179 0.000 1 
       862  91  91 ASP N    N 119.959 0.000 1 
       863  92  92 ALA H    H   8.256 0.000 1 
       864  92  92 ALA HA   H   4.203 0.000 1 
       865  92  92 ALA HB   H   1.594 0.000 1 
       866  92  92 ALA C    C 178.951 0.000 1 
       867  92  92 ALA CA   C  55.537 0.000 1 
       868  92  92 ALA CB   C  18.504 0.000 1 
       869  92  92 ALA N    N 123.900 0.000 1 
       870  93  93 VAL H    H   8.449 0.000 1 
       871  93  93 VAL HA   H   3.594 0.000 1 
       872  93  93 VAL HB   H   2.311 0.000 1 
       873  93  93 VAL HG1  H   1.141 0.000 2 
       874  93  93 VAL HG2  H   1.006 0.000 2 
       875  93  93 VAL C    C 178.761 0.000 1 
       876  93  93 VAL CA   C  67.157 0.000 1 
       877  93  93 VAL CB   C  31.795 0.000 1 
       878  93  93 VAL CG1  C  23.139 0.000 1 
       879  93  93 VAL CG2  C  21.432 0.000 1 
       880  93  93 VAL N    N 118.228 0.000 1 
       881  94  94 GLU H    H   8.175 0.000 1 
       882  94  94 GLU HA   H   4.045 0.000 1 
       883  94  94 GLU HB2  H   2.162 0.000 2 
       884  94  94 GLU HB3  H   2.154 0.000 2 
       885  94  94 GLU HG2  H   2.280 0.000 2 
       886  94  94 GLU HG3  H   2.443 0.000 2 
       887  94  94 GLU C    C 179.347 0.000 1 
       888  94  94 GLU CA   C  59.631 0.000 1 
       889  94  94 GLU CB   C  29.531 0.000 1 
       890  94  94 GLU CG   C  36.502 0.000 1 
       891  94  94 GLU N    N 120.485 0.000 1 
       892  95  95 TYR H    H   8.197 0.000 1 
       893  95  95 TYR HA   H   4.228 0.000 1 
       894  95  95 TYR HB2  H   3.260 0.000 2 
       895  95  95 TYR HB3  H   3.272 0.000 2 
       896  95  95 TYR C    C 178.407 0.000 1 
       897  95  95 TYR CA   C  61.561 0.000 1 
       898  95  95 TYR CB   C  38.631 0.000 1 
       899  95  95 TYR N    N 120.806 0.000 1 
       900  96  96 VAL H    H   8.525 0.000 1 
       901  96  96 VAL HA   H   3.483 0.000 1 
       902  96  96 VAL HB   H   2.222 0.000 1 
       903  96  96 VAL HG1  H   1.229 0.000 2 
       904  96  96 VAL HG2  H   0.999 0.000 2 
       905  96  96 VAL C    C 177.752 0.000 1 
       906  96  96 VAL CA   C  66.680 0.000 1 
       907  96  96 VAL CB   C  32.022 0.000 1 
       908  96  96 VAL CG1  C  23.253 0.000 1 
       909  96  96 VAL CG2  C  22.260 0.000 1 
       910  96  96 VAL N    N 118.584 0.000 1 
       911  97  97 SER H    H   8.642 0.000 1 
       912  97  97 SER HA   H   4.080 0.000 1 
       913  97  97 SER HB2  H   3.989 0.000 2 
       914  97  97 SER HB3  H   3.975 0.000 2 
       915  97  97 SER C    C 176.803 0.000 1 
       916  97  97 SER CA   C  61.800 0.000 1 
       917  97  97 SER CB   C  63.258 0.000 1 
       918  97  97 SER N    N 114.566 0.000 1 
       919  98  98 GLY H    H   7.926 0.000 1 
       920  98  98 GLY HA2  H   3.898 0.000 2 
       921  98  98 GLY HA3  H   3.971 0.000 2 
       922  98  98 GLY C    C 175.553 0.000 1 
       923  98  98 GLY CA   C  46.556 0.000 1 
       924  98  98 GLY N    N 107.586 0.000 1 
       925  99  99 ARG H    H   7.611 0.000 1 
       926  99  99 ARG HA   H   4.203 0.000 1 
       927  99  99 ARG HB2  H   1.772 0.000 2 
       928  99  99 ARG HB3  H   1.860 0.000 2 
       929  99  99 ARG HG2  H   1.496 0.000 2 
       930  99  99 ARG HG3  H   1.499 0.000 2 
       931  99  99 ARG HD2  H   2.967 0.000 2 
       932  99  99 ARG HD3  H   3.095 0.000 2 
       933  99  99 ARG C    C 177.830 0.000 1 
       934  99  99 ARG CA   C  57.129 0.000 1 
       935  99  99 ARG CB   C  30.212 0.000 1 
       936  99  99 ARG CG   C  27.128 0.000 1 
       937  99  99 ARG CD   C  42.747 0.000 1 
       938  99  99 ARG N    N 119.948 0.000 1 
       939 100 100 VAL H    H   7.906 0.000 1 
       940 100 100 VAL HA   H   3.940 0.000 1 
       941 100 100 VAL HB   H   2.018 0.000 1 
       942 100 100 VAL HG1  H   0.894 0.000 2 
       943 100 100 VAL HG2  H   0.762 0.000 2 
       944 100 100 VAL C    C 176.381 0.000 1 
       945 100 100 VAL CA   C  63.931 0.000 1 
       946 100 100 VAL CB   C  32.331 0.000 1 
       947 100 100 VAL CG1  C  21.296 0.000 1 
       948 100 100 VAL CG2  C  21.179 0.000 1 
       949 100 100 VAL N    N 116.709 0.000 1 
       950 101 101 HIS H    H   8.061 0.000 1 
       951 101 101 HIS HA   H   4.775 0.000 1 
       952 101 101 HIS HB2  H   3.193 0.000 2 
       953 101 101 HIS HB3  H   3.340 0.000 2 
       954 101 101 HIS C    C 175.484 0.000 1 
       955 101 101 HIS CA   C  55.862 0.000 1 
       956 101 101 HIS CB   C  29.517 0.000 1 
       957 101 101 HIS N    N 117.584 0.000 1 
       958 102 102 GLY H    H   7.990 0.000 1 
       959 102 102 GLY HA2  H   3.968 0.000 2 
       960 102 102 GLY HA3  H   4.053 0.000 2 
       961 102 102 GLY C    C 174.121 0.000 1 
       962 102 102 GLY CA   C  45.719 0.000 1 
       963 102 102 GLY N    N 109.164 0.000 1 
       964 103 103 GLU H    H   8.320 0.000 1 
       965 103 103 GLU HA   H   4.315 0.000 1 
       966 103 103 GLU HB2  H   1.904 0.000 2 
       967 103 103 GLU HB3  H   2.050 0.000 2 
       968 103 103 GLU HG2  H   2.292 0.000 2 
       969 103 103 GLU HG3  H   2.286 0.000 2 
       970 103 103 GLU C    C 176.467 0.000 1 
       971 103 103 GLU CA   C  56.451 0.000 1 
       972 103 103 GLU CB   C  30.731 0.000 1 
       973 103 103 GLU CG   C  36.353 0.000 1 
       974 103 103 GLU N    N 120.493 0.000 1 
       975 104 104 GLU H    H   8.358 0.000 1 
       976 104 104 GLU HA   H   4.263 0.000 1 
       977 104 104 GLU HB2  H   1.912 0.000 2 
       978 104 104 GLU HB3  H   2.001 0.000 2 
       979 104 104 GLU C    C 175.820 0.000 1 
       980 104 104 GLU CA   C  56.480 0.000 1 
       981 104 104 GLU CB   C  30.654 0.000 1 
       982 104 104 GLU N    N 122.018 0.000 1 
       983 105 105 ASP H    H   8.350 0.000 1 
       984 105 105 ASP HA   H   4.898 0.000 1 
       985 105 105 ASP HB2  H   2.796 0.000 2 
       986 105 105 ASP HB3  H   2.585 0.000 2 
       987 105 105 ASP CA   C  51.728 0.000 1 
       988 105 105 ASP CB   C  41.614 0.000 1 
       989 105 105 ASP N    N 122.625 0.000 1 
       990 106 106 PRO HA   H   4.466 0.000 1 
       991 106 106 PRO HB2  H   2.027 0.000 2 
       992 106 106 PRO HB3  H   2.316 0.000 2 
       993 106 106 PRO HG2  H   1.996 0.000 2 
       994 106 106 PRO HG3  H   2.052 0.000 2 
       995 106 106 PRO HD2  H   3.906 0.000 2 
       996 106 106 PRO HD3  H   3.896 0.000 2 
       997 106 106 PRO C    C 177.605 0.000 1 
       998 106 106 PRO CA   C  63.921 0.000 1 
       999 106 106 PRO CB   C  32.296 0.000 1 
      1000 106 106 PRO CG   C  27.068 0.000 1 
      1001 106 106 PRO CD   C  51.021 0.000 1 
      1002 107 107 THR H    H   8.355 0.000 1 
      1003 107 107 THR HA   H   4.281 0.000 1 
      1004 107 107 THR HB   H   4.262 0.000 1 
      1005 107 107 THR HG2  H   1.236 0.000 1 
      1006 107 107 THR C    C 174.889 0.000 1 
      1007 107 107 THR CA   C  62.896 0.000 1 
      1008 107 107 THR CB   C  69.593 0.000 1 
      1009 107 107 THR CG2  C  21.843 0.000 1 
      1010 107 107 THR N    N 111.954 0.000 1 
      1011 108 108 LYS H    H   7.739 0.000 1 
      1012 108 108 LYS HA   H   4.355 0.000 1 
      1013 108 108 LYS HB2  H   1.751 0.000 2 
      1014 108 108 LYS HB3  H   1.912 0.000 2 
      1015 108 108 LYS HG2  H   1.371 0.000 2 
      1016 108 108 LYS HG3  H   1.407 0.000 2 
      1017 108 108 LYS C    C 175.406 0.000 1 
      1018 108 108 LYS CA   C  56.252 0.000 1 
      1019 108 108 LYS CB   C  32.964 0.000 1 
      1020 108 108 LYS CG   C  24.857 0.000 1 
      1021 108 108 LYS N    N 123.177 0.000 1 
      1022 109 109 LYS H    H   7.653 0.000 1 
      1023 109 109 LYS HB2  H   1.820 0.000 2 
      1024 109 109 LYS HB3  H   1.695 0.000 2 
      1025 109 109 LYS HG2  H   1.379 0.000 2 
      1026 109 109 LYS HG3  H   1.362 0.000 2 
      1027 109 109 LYS CB   C  33.856 0.000 1 
      1028 109 109 LYS CG   C  24.839 0.000 1 
      1029 109 109 LYS N    N 127.535 0.000 1 

   stop_

save_