data_5217

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

save_entry_information
   _Saveframe_category      entry_information

   _Entry_title            
;
Solution Structure and DNA Binding Properties of the C-Terminal Domain of UvrC 
from E. coli
;
   _BMRB_accession_number   5217
   _BMRB_flat_file_name     bmr5217.str
   _Entry_type              original
   _Submission_date         2001-11-23
   _Accession_date          2001-11-26
   _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 Singh         Shanteri   .         . 
      2 Folkers       Gert       E         . 
      3 Bonvin        Alexandre 'M. J. J.' . 
      4 Wechselberger Rainer     .         . 
      5 Niztayev      Alidin     .         . 
      6 Boelens       Rolf       .         . 
      7 Kaptein       Robert     .         . 

   stop_

   loop_
      _Saveframe_category_type
      _Saveframe_category_type_count

      assigned_chemical_shifts 1 

   stop_

   loop_
      _Data_type
      _Data_type_count

      "1H chemical shifts"  373 
      "13C chemical shifts" 261 
      "15N chemical shifts"  67 

   stop_

   loop_
      _Revision_date
      _Revision_keyword
      _Revision_author
      _Revision_detail

      2003-01-14 original author . 

   stop_

   _Original_release_date   2003-01-14

save_


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

save_entry_citation
   _Saveframe_category           entry_citation

   _Citation_full                .
   _Citation_title              
;
Solution Structure and DNA-binding Properties of the C-Terminal Domain of UvrC 
from E. coli
;
   _Citation_status              published
   _Citation_type                journal
   _CAS_abstract_code            .
   _MEDLINE_UI_code              22313337
   _PubMed_ID                    12426397

   loop_
      _Author_ordinal
      _Author_family_name
      _Author_given_name
      _Author_middle_initials
      _Author_family_title

      1 Singh         Shanteri  .  . 
      2 Folkers       Gert      E. . 
      3 Bonvin        Alexandre M. . 
      4 Boelens       Rolf      .  . 
      5 Wechselberger Rainer    .  . 
      6 Niztayev      Alidin    .  . 
      7 Kaptein       Robert    .  . 

   stop_

   _Journal_abbreviation        'EMBO J.'
   _Journal_volume               21
   _Journal_issue                22
   _Journal_CSD                  .
   _Book_chapter_title           .
   _Book_volume                  .
   _Book_series                  .
   _Book_ISBN                    .
   _Conference_state_province    .
   _Conference_abstract_number   .
   _Page_first                   6257
   _Page_last                    6266
   _Year                         2002
   _Details                      .

   loop_
      _Keyword

      'DNA binding domain'        
      'Helix-hairpin-helix motif' 
      'NER Protein'               
      'UvrC CTD'                  

   stop_

save_


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

save_system_UvrC_CTD
   _Saveframe_category         molecular_system

   _Mol_system_name           'UvrC C-terminal domain'
   _Abbreviation_common       'UvrC CTD'
   _Enzyme_commission_number   .

   loop_
      _Mol_system_component_name
      _Mol_label

      'UvrC CTD' $UvrC 

   stop_

   _System_molecular_weight    .
   _System_physical_state      native
   _System_oligomer_state      monomer
   _System_paramagnetic        no
   _System_thiol_state        'not present'

   loop_
      _Biological_function

      'Binds to bubble DNA with minimum 6 unpaired bases in the middle'       
      'Non-Sequence Specific DNA binding'                                     
      'Participates in the 5- incision of the DNA in Nuclear Excision Repair' 

   stop_

   _Database_query_date        .
   _Details                    .

save_


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

save_UvrC
   _Saveframe_category                          monomeric_polymer

   _Mol_type                                    polymer
   _Mol_polymer_class                           protein
   _Name_common                                'UV Repair protein C'
   _Name_variant                                UvrC
   _Abbreviation_common                         Exi-nuclease
   _Molecular_mass                              8562.82
   _Mol_thiol_state                            'not present'
   _Details                                    
;
HhH domain, Binds to bubble type DNA with minimum 6 unpaired bubble
Structurally resembles HhH domains of RuvA protein and DNA Ligase protein.
;

   	##############################
   	#  Polymer residue sequence  #
   	##############################
   
      _Residue_count                               78
   _Mol_residue_sequence                       
;
MGSSHHHHHHSSGLVPRGSH
MNTSSLETIEGVGPKRRQML
LKYMGGLQGLRNASVEEIAK
VPGISQGLAEKIFWSLKH
;

   loop_
      _Residue_seq_code
      _Residue_label

       1 MET   2 GLY   3 SER   4 SER   5 HIS 
       6 HIS   7 HIS   8 HIS   9 HIS  10 HIS 
      11 SER  12 SER  13 GLY  14 LEU  15 VAL 
      16 PRO  17 ARG  18 GLY  19 SER  20 HIS 
      21 MET  22 ASN  23 THR  24 SER  25 SER 
      26 LEU  27 GLU  28 THR  29 ILE  30 GLU 
      31 GLY  32 VAL  33 GLY  34 PRO  35 LYS 
      36 ARG  37 ARG  38 GLN  39 MET  40 LEU 
      41 LEU  42 LYS  43 TYR  44 MET  45 GLY 
      46 GLY  47 LEU  48 GLN  49 GLY  50 LEU 
      51 ARG  52 ASN  53 ALA  54 SER  55 VAL 
      56 GLU  57 GLU  58 ILE  59 ALA  60 LYS 
      61 VAL  62 PRO  63 GLY  64 ILE  65 SER 
      66 GLN  67 GLY  68 LEU  69 ALA  70 GLU 
      71 LYS  72 ILE  73 PHE  74 TRP  75 SER 
      76 LEU  77 LYS  78 HIS 

   stop_

   _Sequence_homology_query_date                .
   _Sequence_homology_query_revised_last_date   2014-10-26

   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 1KFT         "Solution Structure Of The C-Terminal Domain Of Uvrc From E- Coli"                                     100.00 78 100.00 100.00 2.67e-47 
      GB  AHR43889     "excinuclease ABC subunit C [Salmonella enterica subsp. enterica serovar Enteritidis str. SA20095440]"  51.28 40 100.00 100.00 8.65e-19 
      GB  AHS24459     "excinuclease ABC subunit C [Salmonella enterica subsp. enterica serovar Enteritidis str. EC20120677]"  51.28 40 100.00 100.00 8.65e-19 
      GB  AHS50436     "excinuclease ABC subunit C [Salmonella enterica subsp. enterica serovar Enteritidis str. EC20121004]"  51.28 40 100.00 100.00 8.65e-19 
      GB  AHS52317     "excinuclease ABC subunit C [Salmonella enterica subsp. enterica serovar Enteritidis str. EC20121541]"  51.28 40 100.00 100.00 8.65e-19 
      GB  EFZ51080     "uvrABC system C domain protein [Shigella sonnei 53G]"                                                  51.28 40 100.00 100.00 8.65e-19 
      REF WP_001345512 "MULTISPECIES: excinuclease ABC subunit C [Enterobacteriaceae]"                                         51.28 40 100.00 100.00 8.65e-19 
      REF WP_023252848 "excinuclease ABC subunit C [Salmonella enterica]"                                                      64.10 50  98.00 100.00 4.51e-26 

   stop_

save_


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

save_natural_source
   _Saveframe_category   natural_source


   loop_
      _Mol_label
      _Organism_name_common
      _NCBI_taxonomy_ID
      _Superkingdom
      _Kingdom
      _Genus
      _Species
      _Strain
      _Plasmid
      _Gene_mnemonic
      _Details

      $UvrC 'Escherichia coli' 562 Eubacteria . Escherichia coli K-12 DE3 UvrC 'Nuclear Excision Repair protein C.' 

   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

      $UvrC 'recombinant technology' . . . . . 

   stop_

save_


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

save_sample_1
   _Saveframe_category   sample

   _Sample_type          solution
   _Details             'A complete protease inhibitor was added to the sample.'

   loop_
      _Mol_label
      _Concentration_value
      _Concentration_value_units
      _Isotopic_labeling

      $UvrC                       1.0 mM [U-15N] 
       NaCl                     300   mM .       
      'sodium phosphate buffer'  50   mM .       

   stop_

save_


save_sample_2
   _Saveframe_category   sample

   _Sample_type          solution
   _Details             'A complete protease inhibitor was added to the sample.'

   loop_
      _Mol_label
      _Concentration_value
      _Concentration_value_units
      _Isotopic_labeling

      $UvrC                       1.0 mM '[U-15N; U-13C]' 
       NaCl                     300   mM  .               
      'sodium phosphate buffer'  50   mM  .               

   stop_

save_


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

save_NMRPipe
   _Saveframe_category   software

   _Name                 NMRPipe
   _Version              1.8

   loop_
      _Task

      'NMR data processing' 

   stop_

   _Details             'Delaglio, F., Grzesiek, S., Vuister, G., Zhu, G., Pfeifer, J., and Bax, A.'

save_


save_NmrView
   _Saveframe_category   software

   _Name                 NMRView
   _Version              4.1.3

   loop_
      _Task

      'NMR data analysis' 

   stop_

   _Details             'Bruce A. Johnson'

save_


save_ARIA
   _Saveframe_category   software

   _Name                 ARIA
   _Version              1.0

   loop_
      _Task

      'ambiguous NOE assignment' 
      'structure calculation'    

   stop_

   _Details             'S.,Jens Linge, Michael Nilges'

save_


save_CNS
   _Saveframe_category   software

   _Name                 CNS
   _Version              1.0

   loop_
      _Task

      'structure calculation' 

   stop_

   _Details             
;
A.T.Brunger, P.D.Adams, G.M.Clore, W.L.DeLano,P.Gros, R.W.Grosse-Kunstleve,
J.-S.Jiang,J.Kuszewski, M.Nilges, N.S.Pannu, R.J.Read, L.M.Rice, T.Simonson, 
G.L.Warren.
;

save_


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

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

save_NMR_spectrometer_1
   _Saveframe_category   NMR_spectrometer

   _Manufacturer         Bruker
   _Model                DRX
   _Field_strength       500
   _Details              .

save_


save_NMR_spectrometer_2
   _Saveframe_category   NMR_spectrometer

   _Manufacturer         Bruker
   _Model                AMX
   _Field_strength       600
   _Details              .

save_


save_NMR_spectrometer_3
   _Saveframe_category   NMR_spectrometer

   _Manufacturer         Varian
   _Model                INOVA
   _Field_strength       750
   _Details              .

save_


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

save_HNCA_1
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name      HNCA
   _Sample_label         .

save_


save_HNCO_2
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name      HNCO
   _Sample_label         .

save_


save_HN(CO)CA_3
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name      HN(CO)CA
   _Sample_label         .

save_


save_CBCANH_4
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name      CBCANH
   _Sample_label         .

save_


save_1H-15N_TOCSY_HSQC_5
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '1H-15N TOCSY HSQC'
   _Sample_label         .

save_


save_1H-15N_NOESY_HSQC_6
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '1H-15N NOESY HSQC'
   _Sample_label         .

save_


save_1H-13C-H(C)CH_TOCSY_7
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '1H-13C-H(C)CH TOCSY'
   _Sample_label         .

save_


save_1H-13C-(H)CCH_TOCSY_8
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '1H-13C-(H)CCH TOCSY'
   _Sample_label         .

save_


save_1H-15N_NOESY_HSQC_9
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '1H-15N NOESY HSQC'
   _Sample_label         .

save_


save_2D-NOESY_10
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name      2D-NOESY
   _Sample_label         .

save_


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

save_Ex-cond_1
   _Saveframe_category   sample_conditions

   _Details              .

   loop_
      _Variable_type
      _Variable_value
      _Variable_value_error
      _Variable_value_units

      'ionic strength'   0.3 0.05 M  
       pH                6.8 0.2  na 
       temperature     300   1.0  K  

   stop_

save_


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

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

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

save_chemical_shift_reference
   _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

      DSS C 13 'methyl protons' ppm 0.0  .        indirect . .        .        0.251449530 
      H2O H  1  protons         ppm 4.75 internal direct   . internal parallel 1.000000000 
      DSS N 15 'methyl protons' ppm 0.0  .        indirect . .        .        0.101329118 

   stop_

save_


	###################################
	#  Assigned chemical shift lists  #
	###################################

###################################################################
#       Chemical Shift Ambiguity Index Value Definitions          #
#                                                                 #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains.                              #
#                                                                 #
#   Index Value            Definition                             #
#                                                                 #
#      1             Unique (including isolated methyl protons,   #
#                         geminal atoms, and geminal methyl       #
#                         groups with identical chemical shifts)  #
#                         (e.g. ILE HD11, HD12, HD13 protons)     #
#      2             Ambiguity of geminal atoms or geminal methyl #
#                         proton groups (e.g. ASP HB2 and HB3     #
#                         protons, LEU CD1 and CD2 carbons, or    #
#                         LEU HD11, HD12, HD13 and HD21, HD22,    #
#                         HD23 methyl protons)                    #
#      3             Aromatic atoms on opposite sides of          #
#                         symmetrical rings (e.g. TYR HE1 and HE2 #
#                         protons)                                #
#      4             Intraresidue ambiguities (e.g. LYS HG and    #
#                         HD protons or TRP HZ2 and HZ3 protons)  #
#      5             Interresidue ambiguities (LYS 12 vs. LYS 27) #
#      6             Intermolecular ambiguities (e.g. ASP 31 CA   #
#                         in monomer 1 and ASP 31 CA in monomer 2 #
#                         of an asymmetrical homodimer, duplex    #
#                         DNA assignments, or other assignments   #
#                         that may apply to atoms in one or more  #
#                         molecule in the molecular assembly)     #
#      9             Ambiguous, specific ambiguity not defined    #
#                                                                 #
###################################################################
save_Shift_1
   _Saveframe_category               assigned_chemical_shifts

   _Details                         
;
The unassigned signals may correspond to the
residues from His-tag region.
;

   loop_
      _Sample_label

      $sample_1 
      $sample_2 

   stop_

   _Sample_conditions_label         $Ex-cond_1
   _Chem_shift_reference_set_label  $chemical_shift_reference
   _Mol_system_component_name       'UvrC CTD'
   _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 . 12 SER N    N 110.537 0.5  1 
        2 . 12 SER CA   C  58.600 0.5  1 
        3 . 12 SER CB   C  63.800 0.5  1 
        4 . 13 GLY N    N 110.539 0.5  1 
        5 . 13 GLY H    H   8.368 0.04 1 
        6 . 13 GLY CA   C  45.352 0.5  1 
        7 . 13 GLY HA3  H   3.936 0.04 2 
        8 . 14 LEU N    N 121.527 0.5  1 
        9 . 14 LEU H    H   8.018 0.04 1 
       10 . 14 LEU CA   C  55.133 0.5  1 
       11 . 14 LEU HA   H   4.327 0.04 1 
       12 . 14 LEU CB   C  42.324 0.5  1 
       13 . 14 LEU CG   C  24.614 0.5  1 
       14 . 14 LEU HG   H   1.527 0.04 1 
       15 . 14 LEU CD1  C  23.372 0.5  1 
       16 . 14 LEU HD1  H   0.830 0.04 2 
       17 . 14 LEU HD2  H   0.775 0.04 2 
       18 . 14 LEU C    C 173.844 0.5  1 
       19 . 15 VAL N    N 122.506 0.5  1 
       20 . 15 VAL H    H   8.045 0.04 1 
       21 . 15 VAL CA   C  59.681 0.5  1 
       22 . 15 VAL HA   H   4.344 0.04 1 
       23 . 15 VAL CB   C  32.645 0.5  1 
       24 . 15 VAL HB   H   2.028 0.04 1 
       25 . 15 VAL CG2  C  20.300 0.5  1 
       26 . 15 VAL HG2  H   0.889 0.04 2 
       27 . 15 VAL C    C 177.077 0.5  1 
       28 . 16 PRO CA   C  63.084 0.5  1 
       29 . 16 PRO CB   C  31.900 0.5  1 
       30 . 16 PRO HB3  H   2.227 0.04 2 
       31 . 16 PRO HB2  H   1.784 0.04 2 
       32 . 16 PRO CG   C  27.300 0.5  1 
       33 . 16 PRO CD   C  50.800 0.5  1 
       34 . 16 PRO HD3  H   3.820 0.04 2 
       35 . 16 PRO HD2  H   3.620 0.04 2 
       36 . 17 ARG N    N 122.016 0.5  1 
       37 . 17 ARG H    H   8.440 0.04 1 
       38 . 17 ARG CA   C  56.335 0.5  1 
       39 . 17 ARG HA   H   4.383 0.04 1 
       40 . 17 ARG CB   C  30.890 0.5  1 
       41 . 17 ARG HB3  H   1.795 0.04 2 
       42 . 17 ARG HB2  H   1.700 0.04 2 
       43 . 17 ARG CG   C  26.544 0.5  1 
       44 . 17 ARG CD   C  43.451 0.5  1 
       45 . 17 ARG HD3  H   3.207 0.04 2 
       46 . 17 ARG HD2  H   3.166 0.04 2 
       47 . 17 ARG C    C 176.870 0.5  1 
       48 . 18 GLY N    N 110.207 0.5  1 
       49 . 18 GLY H    H   8.453 0.04 1 
       50 . 18 GLY CA   C  45.500 0.5  1 
       51 . 18 GLY HA3  H   4.136 0.04 2 
       52 . 18 GLY HA2  H   3.615 0.04 2 
       53 . 18 GLY C    C 174.983 0.5  1 
       54 . 19 SER N    N 115.658 0.5  1 
       55 . 19 SER H    H   8.189 0.04 1 
       56 . 19 SER CA   C  58.300 0.5  1 
       57 . 19 SER HA   H   4.400 0.04 1 
       58 . 19 SER CB   C  63.900 0.5  1 
       59 . 19 SER HB3  H   3.777 0.04 1 
       60 . 19 SER HB2  H   3.777 0.04 1 
       61 . 21 MET CA   C  55.400 0.5  1 
       62 . 21 MET CB   C  32.800 0.5  1 
       63 . 22 ASN N    N 120.006 0.5  1 
       64 . 22 ASN CA   C  53.500 0.5  1 
       65 . 22 ASN CB   C  38.900 0.5  1 
       66 . 22 ASN HB3  H   2.872 0.04 2 
       67 . 22 ASN HB2  H   2.808 0.04 2 
       68 . 23 THR N    N 113.929 0.5  1 
       69 . 23 THR H    H   8.230 0.04 1 
       70 . 23 THR CA   C  62.200 0.5  1 
       71 . 23 THR CB   C  69.400 0.5  1 
       72 . 23 THR HB   H   4.265 0.04 1 
       73 . 23 THR HG2  H   1.162 0.04 1 
       74 . 24 SER N    N 118.280 0.5  1 
       75 . 24 SER H    H   8.391 0.04 1 
       76 . 24 SER CA   C  59.000 0.5  1 
       77 . 24 SER HA   H   4.274 0.04 1 
       78 . 24 SER CB   C  63.600 0.5  1 
       79 . 24 SER HB3  H   4.000 0.04 2 
       80 . 24 SER HB2  H   4.041 0.04 2 
       81 . 25 SER N    N 117.507 0.5  1 
       82 . 25 SER H    H   8.306 0.04 1 
       83 . 25 SER CA   C  59.011 0.5  1 
       84 . 25 SER HA   H   4.400 0.04 1 
       85 . 25 SER CB   C  63.641 0.5  1 
       86 . 25 SER HB3  H   3.793 0.04 1 
       87 . 25 SER HB2  H   3.793 0.04 1 
       88 . 25 SER C    C 174.973 0.5  1 
       89 . 26 LEU N    N 122.457 0.5  1 
       90 . 26 LEU H    H   8.279 0.04 1 
       91 . 26 LEU CA   C  56.605 0.5  1 
       92 . 26 LEU HA   H   4.143 0.04 1 
       93 . 26 LEU CB   C  42.216 0.5  1 
       94 . 26 LEU HB3  H   1.600 0.04 1 
       95 . 26 LEU HB2  H   1.600 0.04 1 
       96 . 26 LEU CG   C  27.500 0.5  1 
       97 . 26 LEU HG   H   1.625 0.04 1 
       98 . 26 LEU CD1  C  25.100 0.5  1 
       99 . 26 LEU HD1  H   0.865 0.04 2 
      100 . 26 LEU CD2  C  25.100 0.5  1 
      101 . 26 LEU HD2  H   0.805 0.04 2 
      102 . 26 LEU C    C 175.267 0.5  1 
      103 . 27 GLU N    N 116.497 0.5  1 
      104 . 27 GLU H    H   8.310 0.04 1 
      105 . 27 GLU CA   C  58.200 0.5  1 
      106 . 27 GLU HA   H   3.865 0.04 1 
      107 . 27 GLU CB   C  29.600 0.5  1 
      108 . 27 GLU HB3  H   1.981 0.04 2 
      109 . 27 GLU HB2  H   1.853 0.04 2 
      110 . 27 GLU CG   C  36.900 0.5  1 
      111 . 27 GLU HG3  H   2.294 0.04 2 
      112 . 27 GLU HG2  H   2.218 0.04 2 
      113 . 27 GLU C    C 177.537 0.5  1 
      114 . 28 THR N    N 109.239 0.5  1 
      115 . 28 THR H    H   7.621 0.04 1 
      116 . 28 THR CA   C  61.838 0.5  1 
      117 . 28 THR HA   H   4.300 0.04 1 
      118 . 28 THR CB   C  69.134 0.5  1 
      119 . 28 THR HB   H   4.350 0.04 1 
      120 . 28 THR CG2  C  21.800 0.5  1 
      121 . 28 THR HG2  H   1.177 0.04 1 
      122 . 28 THR C    C 176.808 0.5  1 
      123 . 29 ILE N    N 123.557 0.5  1 
      124 . 29 ILE H    H   7.566 0.04 1 
      125 . 29 ILE CA   C  61.583 0.5  1 
      126 . 29 ILE HA   H   4.007 0.04 1 
      127 . 29 ILE CB   C  38.182 0.5  1 
      128 . 29 ILE HB   H   1.743 0.04 1 
      129 . 29 ILE CG1  C  27.300 0.5  2 
      130 . 29 ILE HG13 H   1.000 0.04 1 
      131 . 29 ILE HG12 H   1.755 0.04 1 
      132 . 29 ILE CD1  C  14.600 0.5  1 
      133 . 29 ILE HD1  H   0.845 0.04 1 
      134 . 29 ILE CG2  C  17.600 0.5  1 
      135 . 29 ILE HG2  H   0.815 0.04 1 
      136 . 29 ILE C    C 174.498 0.5  1 
      137 . 30 GLU N    N 130.032 0.5  1 
      138 . 30 GLU H    H   8.686 0.04 1 
      139 . 30 GLU CA   C  58.144 0.5  1 
      140 . 30 GLU HA   H   4.004 0.04 1 
      141 . 30 GLU CB   C  29.688 0.5  1 
      142 . 30 GLU HB3  H   1.958 0.04 1 
      143 . 30 GLU HB2  H   1.958 0.04 1 
      144 . 30 GLU CG   C  36.100 0.5  1 
      145 . 30 GLU HG3  H   2.290 0.04 2 
      146 . 30 GLU HG2  H   2.225 0.04 2 
      147 . 30 GLU C    C 175.956 0.5  1 
      148 . 31 GLY N    N 111.124 0.5  1 
      149 . 31 GLY H    H   8.582 0.04 1 
      150 . 31 GLY CA   C  44.987 0.5  1 
      151 . 31 GLY HA3  H   4.231 0.04 2 
      152 . 31 GLY HA2  H   3.717 0.04 2 
      153 . 31 GLY C    C 176.813 0.5  1 
      154 . 32 VAL N    N 119.904 0.5  1 
      155 . 32 VAL H    H   7.754 0.04 1 
      156 . 32 VAL CA   C  62.451 0.5  1 
      157 . 32 VAL HA   H   4.077 0.04 1 
      158 . 32 VAL CB   C  30.975 0.5  1 
      159 . 32 VAL HB   H   2.290 0.04 1 
      160 . 32 VAL CG2  C  22.160 0.5  1 
      161 . 32 VAL HG2  H   0.848 0.04 2 
      162 . 32 VAL CG1  C  22.400 0.5  1 
      163 . 32 VAL HG1  H   0.756 0.04 2 
      164 . 32 VAL C    C 174.158 0.5  1 
      165 . 33 GLY N    N 111.949 0.5  1 
      166 . 33 GLY H    H   7.967 0.04 1 
      167 . 33 GLY CA   C  44.980 0.5  1 
      168 . 33 GLY HA3  H   4.320 0.04 2 
      169 . 33 GLY HA2  H   4.187 0.04 2 
      170 . 33 GLY C    C 175.289 0.5  1 
      171 . 34 PRO CA   C  65.900 0.5  1 
      172 . 34 PRO HA   H   4.411 0.04 1 
      173 . 34 PRO CB   C  32.300 0.5  1 
      174 . 34 PRO HB3  H   2.375 0.04 2 
      175 . 34 PRO HB2  H   1.987 0.04 2 
      176 . 34 PRO CG   C  27.400 0.5  1 
      177 . 34 PRO HG3  H   2.162 0.04 2 
      178 . 34 PRO HG2  H   2.050 0.04 2 
      179 . 34 PRO CD   C  49.500 0.5  1 
      180 . 34 PRO HD3  H   3.660 0.04 2 
      181 . 34 PRO HD2  H   3.825 0.04 2 
      182 . 35 LYS N    N 118.766 0.5  1 
      183 . 35 LYS H    H   8.203 0.04 1 
      184 . 35 LYS CA   C  59.521 0.5  1 
      185 . 35 LYS HA   H   4.158 0.04 1 
      186 . 35 LYS CB   C  31.817 0.5  1 
      187 . 35 LYS HB3  H   1.963 0.04 2 
      188 . 35 LYS HB2  H   1.885 0.04 2 
      189 . 35 LYS CG   C  29.200 0.5  1 
      190 . 35 LYS HG3  H   1.720 0.04 1 
      191 . 35 LYS HG2  H   1.720 0.04 1 
      192 . 35 LYS CD   C  25.200 0.5  1 
      193 . 35 LYS HD3  H   1.400 0.04 2 
      194 . 35 LYS HD2  H   1.510 0.04 2 
      195 . 35 LYS CE   C  42.200 0.5  1 
      196 . 35 LYS HE3  H   3.000 0.04 1 
      197 . 35 LYS HE2  H   3.000 0.04 1 
      198 . 35 LYS C    C 179.206 0.5  1 
      199 . 36 ARG N    N 120.327 0.5  1 
      200 . 36 ARG H    H   8.099 0.04 1 
      201 . 36 ARG CA   C  59.466 0.5  1 
      202 . 36 ARG HA   H   4.074 0.04 1 
      203 . 36 ARG CB   C  30.269 0.5  1 
      204 . 36 ARG HB3  H   1.913 0.04 2 
      205 . 36 ARG HB2  H   1.585 0.04 2 
      206 . 36 ARG CG   C  28.800 0.5  1 
      207 . 36 ARG HG3  H   1.583 0.04 2 
      208 . 36 ARG HG2  H   1.878 0.04 2 
      209 . 36 ARG CD   C  43.636 0.5  1 
      210 . 36 ARG HD3  H   3.420 0.04 2 
      211 . 36 ARG HD2  H   3.050 0.04 2 
      212 . 36 ARG C    C 179.592 0.5  1 
      213 . 37 ARG N    N 119.188 0.5  1 
      214 . 37 ARG H    H   8.544 0.04 1 
      215 . 37 ARG CA   C  60.594 0.5  1 
      216 . 37 ARG HA   H   3.671 0.04 1 
      217 . 37 ARG CB   C  29.903 0.5  1 
      218 . 37 ARG HB3  H   1.889 0.04 2 
      219 . 37 ARG HB2  H   1.831 0.04 2 
      220 . 37 ARG CG   C  27.700 0.5  1 
      221 . 37 ARG HG3  H   1.580 0.04 2 
      222 . 37 ARG HG2  H   1.450 0.04 2 
      223 . 37 ARG CD   C  43.800 0.5  1 
      224 . 37 ARG HD3  H   3.180 0.04 2 
      225 . 37 ARG HD2  H   3.132 0.04 2 
      226 . 37 ARG C    C 178.213 0.5  1 
      227 . 38 GLN N    N 116.587 0.5  1 
      228 . 38 GLN H    H   7.780 0.04 1 
      229 . 38 GLN CA   C  59.000 0.5  1 
      230 . 38 GLN HA   H   4.014 0.04 1 
      231 . 38 GLN CB   C  28.412 0.5  1 
      232 . 38 GLN HB3  H   2.211 0.04 1 
      233 . 38 GLN HB2  H   2.211 0.04 1 
      234 . 38 GLN CG   C  33.900 0.5  1 
      235 . 38 GLN HG3  H   2.570 0.04 2 
      236 . 38 GLN HG2  H   2.435 0.04 2 
      237 . 38 GLN NE2  N 111.670 0.5  1 
      238 . 38 GLN HE21 H   7.409 0.04 2 
      239 . 38 GLN HE22 H   6.847 0.04 2 
      240 . 38 GLN C    C 177.215 0.5  1 
      241 . 39 MET N    N 119.254 0.5  1 
      242 . 39 MET H    H   7.902 0.04 1 
      243 . 39 MET CA   C  59.032 0.5  1 
      244 . 39 MET HA   H   4.284 0.04 1 
      245 . 39 MET CB   C  32.304 0.5  1 
      246 . 39 MET HB3  H   2.747 0.04 2 
      247 . 39 MET HB2  H   2.675 0.04 2 
      248 . 39 MET CG   C  32.304 0.5  1 
      249 . 39 MET HG3  H   2.225 0.04 2 
      250 . 39 MET HG2  H   2.090 0.04 2 
      251 . 39 MET C    C 178.950 0.5  1 
      252 . 40 LEU N    N 120.411 0.5  1 
      253 . 40 LEU H    H   8.487 0.04 1 
      254 . 40 LEU CA   C  58.605 0.5  1 
      255 . 40 LEU HA   H   3.960 0.04 1 
      256 . 40 LEU CB   C  42.756 0.5  1 
      257 . 40 LEU HB3  H   1.908 0.04 2 
      258 . 40 LEU HB2  H   1.593 0.04 2 
      259 . 40 LEU CG   C  27.300 0.5  1 
      260 . 40 LEU HG   H   1.672 0.04 1 
      261 . 40 LEU CD1  C  25.810 0.5  1 
      262 . 40 LEU HD1  H   0.860 0.04 2 
      263 . 40 LEU CD2  C  25.200 0.5  1 
      264 . 40 LEU HD2  H   0.870 0.04 2 
      265 . 40 LEU C    C 178.302 0.5  1 
      266 . 41 LEU N    N 116.672 0.5  1 
      267 . 41 LEU H    H   7.994 0.04 1 
      268 . 41 LEU CA   C  58.270 0.5  1 
      269 . 41 LEU HA   H   3.774 0.04 1 
      270 . 41 LEU CB   C  41.242 0.5  1 
      271 . 41 LEU HB3  H   1.885 0.04 2 
      272 . 41 LEU HB2  H   1.460 0.04 2 
      273 . 41 LEU CG   C  27.100 0.5  1 
      274 . 41 LEU HG   H   1.765 0.04 1 
      275 . 41 LEU CD1  C  25.300 0.5  1 
      276 . 41 LEU HD1  H   0.859 0.04 2 
      277 . 41 LEU CD2  C  22.500 0.5  1 
      278 . 41 LEU HD2  H   0.692 0.04 2 
      279 . 41 LEU C    C 178.198 0.5  1 
      280 . 42 LYS N    N 120.081 0.5  1 
      281 . 42 LYS H    H   8.119 0.04 1 
      282 . 42 LYS CA   C  59.373 0.5  1 
      283 . 42 LYS HA   H   4.093 0.04 1 
      284 . 42 LYS CB   C  32.600 0.5  1 
      285 . 42 LYS HB3  H   2.000 0.04 1 
      286 . 42 LYS HB2  H   2.000 0.04 1 
      287 . 42 LYS CG   C  29.230 0.5  1 
      288 . 42 LYS HG3  H   1.647 0.04 1 
      289 . 42 LYS HG2  H   1.647 0.04 1 
      290 . 42 LYS CD   C  24.700 0.5  1 
      291 . 42 LYS HD3  H   1.450 0.04 2 
      292 . 42 LYS HD2  H   1.274 0.04 2 
      293 . 42 LYS CE   C  42.300 0.5  1 
      294 . 42 LYS HE3  H   3.000 0.04 1 
      295 . 42 LYS HE2  H   3.000 0.04 1 
      296 . 42 LYS C    C 175.651 0.5  1 
      297 . 43 TYR N    N 118.667 0.5  1 
      298 . 43 TYR H    H   8.612 0.04 1 
      299 . 43 TYR CA   C  61.726 0.5  1 
      300 . 43 TYR HA   H   4.118 0.04 1 
      301 . 43 TYR CB   C  39.203 0.5  1 
      302 . 43 TYR HB3  H   3.181 0.04 2 
      303 . 43 TYR HB2  H   3.031 0.04 2 
      304 . 43 TYR HD1  H   7.309 0.04 1 
      305 . 43 TYR HE1  H   6.876 0.04 1 
      306 . 43 TYR HE2  H   6.876 0.04 1 
      307 . 43 TYR HD2  H   7.309 0.04 1 
      308 . 43 TYR C    C 179.482 0.5  1 
      309 . 44 MET N    N 112.842 0.5  1 
      310 . 44 MET H    H   7.931 0.04 1 
      311 . 44 MET CA   C  54.370 0.5  1 
      312 . 44 MET HA   H   4.665 0.04 1 
      313 . 44 MET CB   C  32.583 0.5  1 
      314 . 44 MET HB3  H   1.970 0.04 2 
      315 . 44 MET HB2  H   2.110 0.04 2 
      316 . 44 MET CG   C  33.800 0.5  1 
      317 . 44 MET HG3  H   2.615 0.04 2 
      318 . 44 MET HG2  H   2.656 0.04 2 
      319 . 44 MET HE   H   1.981 0.04 1 
      320 . 44 MET C    C 178.101 0.5  1 
      321 . 45 GLY N    N 107.234 0.5  1 
      322 . 45 GLY H    H   7.536 0.04 1 
      323 . 45 GLY CA   C  46.381 0.5  1 
      324 . 45 GLY HA3  H   4.100 0.04 2 
      325 . 45 GLY HA2  H   3.900 0.04 2 
      326 . 45 GLY C    C 176.266 0.5  1 
      327 . 46 GLY N    N 108.188 0.5  1 
      328 . 46 GLY H    H   8.526 0.04 1 
      329 . 46 GLY CA   C  43.889 0.5  1 
      330 . 46 GLY HA3  H   4.533 0.04 2 
      331 . 46 GLY HA2  H   3.688 0.04 2 
      332 . 46 GLY C    C 175.537 0.5  1 
      333 . 47 LEU N    N 121.189 0.5  1 
      334 . 47 LEU H    H   8.674 0.04 1 
      335 . 47 LEU CA   C  58.055 0.5  1 
      336 . 47 LEU HA   H   3.875 0.04 1 
      337 . 47 LEU CB   C  41.770 0.5  1 
      338 . 47 LEU HB3  H   1.683 0.04 2 
      339 . 47 LEU HB2  H   1.543 0.04 2 
      340 . 47 LEU CG   C  27.200 0.5  1 
      341 . 47 LEU HG   H   1.540 0.04 1 
      342 . 47 LEU CD1  C  25.100 0.5  1 
      343 . 47 LEU HD1  H   0.850 0.04 2 
      344 . 47 LEU CD2  C  23.600 0.5  1 
      345 . 47 LEU HD2  H   0.920 0.04 2 
      346 . 47 LEU C    C 173.199 0.5  1 
      347 . 48 GLN N    N 117.348 0.5  1 
      348 . 48 GLN H    H   8.714 0.04 1 
      349 . 48 GLN CA   C  58.909 0.5  1 
      350 . 48 GLN HA   H   3.906 0.04 1 
      351 . 48 GLN CB   C  27.818 0.5  1 
      352 . 48 GLN HB3  H   2.005 0.04 2 
      353 . 48 GLN HB2  H   2.075 0.04 2 
      354 . 48 GLN CG   C  33.800 0.5  1 
      355 . 48 GLN HG3  H   2.391 0.04 1 
      356 . 48 GLN HG2  H   2.391 0.04 1 
      357 . 48 GLN NE2  N 113.123 0.5  1 
      358 . 48 GLN HE21 H   7.475 0.04 2 
      359 . 48 GLN HE22 H   6.932 0.04 2 
      360 . 48 GLN C    C 178.603 0.5  1 
      361 . 49 GLY N    N 106.202 0.5  1 
      362 . 49 GLY H    H   7.379 0.04 1 
      363 . 49 GLY CA   C  46.510 0.5  1 
      364 . 49 GLY HA3  H   4.154 0.04 2 
      365 . 49 GLY HA2  H   3.837 0.04 2 
      366 . 49 GLY C    C 178.375 0.5  1 
      367 . 50 LEU N    N 123.135 0.5  1 
      368 . 50 LEU H    H   7.951 0.04 1 
      369 . 50 LEU CA   C  57.704 0.5  1 
      370 . 50 LEU HA   H   4.100 0.04 1 
      371 . 50 LEU CB   C  41.756 0.5  1 
      372 . 50 LEU HB3  H   1.960 0.04 2 
      373 . 50 LEU HB2  H   1.285 0.04 2 
      374 . 50 LEU CG   C  27.100 0.5  1 
      375 . 50 LEU HG   H   1.554 0.04 1 
      376 . 50 LEU CD1  C  27.100 0.5  1 
      377 . 50 LEU HD1  H   0.790 0.04 2 
      378 . 50 LEU CD2  C  24.100 0.5  1 
      379 . 50 LEU HD2  H   0.880 0.04 2 
      380 . 50 LEU C    C 177.365 0.5  1 
      381 . 51 ARG N    N 116.649 0.5  1 
      382 . 51 ARG H    H   8.338 0.04 1 
      383 . 51 ARG CA   C  59.316 0.5  1 
      384 . 51 ARG HA   H   3.840 0.04 1 
      385 . 51 ARG CB   C  30.300 0.5  1 
      386 . 51 ARG HB3  H   1.830 0.04 1 
      387 . 51 ARG HB2  H   1.830 0.04 1 
      388 . 51 ARG CG   C  28.800 0.5  1 
      389 . 51 ARG HG3  H   1.830 0.04 2 
      390 . 51 ARG HG2  H   1.575 0.04 2 
      391 . 51 ARG CD   C  43.800 0.5  1 
      392 . 51 ARG HD3  H   3.114 0.04 1 
      393 . 51 ARG HD2  H   3.114 0.04 1 
      394 . 51 ARG C    C 178.322 0.5  1 
      395 . 52 ASN N    N 114.780 0.5  1 
      396 . 52 ASN H    H   7.331 0.04 1 
      397 . 52 ASN CA   C  52.776 0.5  1 
      398 . 52 ASN HA   H   4.815 0.04 1 
      399 . 52 ASN CB   C  39.801 0.5  1 
      400 . 52 ASN HB3  H   3.002 0.04 2 
      401 . 52 ASN HB2  H   2.700 0.04 2 
      402 . 52 ASN ND2  N 112.640 0.5  1 
      403 . 52 ASN HD21 H   7.598 0.04 2 
      404 . 52 ASN HD22 H   6.883 0.04 2 
      405 . 52 ASN C    C 176.524 0.5  1 
      406 . 53 ALA N    N 124.021 0.5  1 
      407 . 53 ALA H    H   7.290 0.04 1 
      408 . 53 ALA CA   C  52.316 0.5  1 
      409 . 53 ALA HA   H   4.546 0.04 1 
      410 . 53 ALA CB   C  20.665 0.5  1 
      411 . 53 ALA HB   H   1.596 0.04 1 
      412 . 53 ALA C    C 174.578 0.5  1 
      413 . 54 SER N    N 116.936 0.5  1 
      414 . 54 SER H    H   8.568 0.04 1 
      415 . 54 SER CA   C  56.555 0.5  1 
      416 . 54 SER HA   H   4.620 0.04 1 
      417 . 54 SER CB   C  65.817 0.5  1 
      418 . 54 SER HB3  H   4.240 0.04 2 
      419 . 54 SER HB2  H   3.980 0.04 2 
      420 . 54 SER C    C 177.335 0.5  1 
      421 . 55 VAL N    N 120.830 0.5  1 
      422 . 55 VAL H    H   8.163 0.04 1 
      423 . 55 VAL CA   C  67.294 0.5  1 
      424 . 55 VAL HA   H   3.244 0.04 1 
      425 . 55 VAL CB   C  31.345 0.5  1 
      426 . 55 VAL HB   H   1.448 0.04 1 
      427 . 55 VAL CG2  C  21.500 0.5  1 
      428 . 55 VAL HG2  H   0.715 0.04 2 
      429 . 55 VAL CG1  C  22.800 0.5  1 
      430 . 55 VAL HG1  H   0.419 0.04 2 
      431 . 55 VAL C    C 175.091 0.5  1 
      432 . 56 GLU N    N 116.610 0.5  1 
      433 . 56 GLU H    H   8.241 0.04 1 
      434 . 56 GLU CA   C  59.605 0.5  1 
      435 . 56 GLU HA   H   3.865 0.04 1 
      436 . 56 GLU CB   C  29.090 0.5  1 
      437 . 56 GLU HB3  H   1.820 0.04 2 
      438 . 56 GLU HB2  H   1.950 0.04 2 
      439 . 56 GLU CG   C  37.100 0.5  1 
      440 . 56 GLU HG3  H   2.295 0.04 2 
      441 . 56 GLU HG2  H   2.250 0.04 2 
      442 . 56 GLU C    C 176.965 0.5  1 
      443 . 57 GLU N    N 117.791 0.5  1 
      444 . 57 GLU H    H   7.493 0.04 1 
      445 . 57 GLU CA   C  59.062 0.5  1 
      446 . 57 GLU HA   H   3.903 0.04 1 
      447 . 57 GLU CB   C  30.092 0.5  1 
      448 . 57 GLU HB3  H   2.306 0.04 2 
      449 . 57 GLU HB2  H   2.006 0.04 2 
      450 . 57 GLU CG   C  36.900 0.5  1 
      451 . 57 GLU HG3  H   2.290 0.04 2 
      452 . 57 GLU HG2  H   2.210 0.04 2 
      453 . 57 GLU C    C 178.867 0.5  1 
      454 . 58 ILE N    N 121.646 0.5  1 
      455 . 58 ILE H    H   8.018 0.04 1 
      456 . 58 ILE CA   C  65.555 0.5  1 
      457 . 58 ILE HA   H   3.485 0.04 1 
      458 . 58 ILE CB   C  38.323 0.5  1 
      459 . 58 ILE HB   H   1.825 0.04 1 
      460 . 58 ILE CG1  C  29.900 0.5  2 
      461 . 58 ILE HG13 H   2.040 0.04 1 
      462 . 58 ILE HG12 H   0.634 0.04 1 
      463 . 58 ILE CD1  C  13.600 0.5  1 
      464 . 58 ILE HD1  H   0.958 0.04 1 
      465 . 58 ILE CG2  C  18.700 0.5  1 
      466 . 58 ILE HG2  H   0.880 0.04 1 
      467 . 58 ILE C    C 179.599 0.5  1 
      468 . 59 ALA N    N 116.806 0.5  1 
      469 . 59 ALA H    H   7.994 0.04 1 
      470 . 59 ALA CA   C  52.916 0.5  1 
      471 . 59 ALA HA   H   3.886 0.04 1 
      472 . 59 ALA CB   C  17.894 0.5  1 
      473 . 59 ALA HB   H   1.270 0.04 1 
      474 . 59 ALA C    C 176.571 0.5  1 
      475 . 60 LYS N    N 115.965 0.5  1 
      476 . 60 LYS H    H   7.037 0.04 1 
      477 . 60 LYS CA   C  56.396 0.5  1 
      478 . 60 LYS HA   H   4.164 0.04 1 
      479 . 60 LYS CB   C  32.791 0.5  1 
      480 . 60 LYS HB3  H   1.949 0.04 2 
      481 . 60 LYS HB2  H   1.800 0.04 2 
      482 . 60 LYS CG   C  29.300 0.5  1 
      483 . 60 LYS HG3  H   1.710 0.04 1 
      484 . 60 LYS HG2  H   1.710 0.04 1 
      485 . 60 LYS CD   C  25.300 0.5  1 
      486 . 60 LYS HD3  H   1.515 0.04 2 
      487 . 60 LYS HD2  H   1.420 0.04 2 
      488 . 60 LYS CE   C  42.300 0.5  1 
      489 . 60 LYS HE3  H   2.931 0.04 1 
      490 . 60 LYS HE2  H   2.931 0.04 1 
      491 . 60 LYS C    C 177.126 0.5  1 
      492 . 61 VAL N    N 124.962 0.5  1 
      493 . 61 VAL H    H   7.544 0.04 1 
      494 . 61 VAL CA   C  61.193 0.5  1 
      495 . 61 VAL HA   H   3.417 0.04 1 
      496 . 61 VAL CB   C  31.441 0.5  1 
      497 . 61 VAL HB   H   2.053 0.04 1 
      498 . 61 VAL CG2  C  23.330 0.5  1 
      499 . 61 VAL HG2  H   0.826 0.04 2 
      500 . 61 VAL CG1  C  19.910 0.5  1 
      501 . 61 VAL HG1  H   0.600 0.04 2 
      502 . 61 VAL C    C 177.450 0.5  1 
      503 . 62 PRO CA   C  64.050 0.5  1 
      504 . 62 PRO HA   H   4.400 0.04 1 
      505 . 62 PRO CB   C  31.700 0.5  1 
      506 . 62 PRO HB3  H   2.220 0.04 2 
      507 . 62 PRO HB2  H   1.757 0.04 2 
      508 . 62 PRO CG   C  27.800 0.5  1 
      509 . 62 PRO HG3  H   2.011 0.04 2 
      510 . 62 PRO HG2  H   1.887 0.04 2 
      511 . 62 PRO CD   C  51.100 0.5  1 
      512 . 62 PRO HD3  H   3.644 0.04 2 
      513 . 62 PRO HD2  H   2.936 0.04 2 
      514 . 63 GLY N    N 109.923 0.5  1 
      515 . 63 GLY H    H   8.399 0.04 1 
      516 . 63 GLY CA   C  45.224 0.5  1 
      517 . 63 GLY HA3  H   4.138 0.04 2 
      518 . 63 GLY HA2  H   3.648 0.04 2 
      519 . 63 GLY C    C 176.742 0.5  1 
      520 . 64 ILE N    N 121.746 0.5  1 
      521 . 64 ILE H    H   7.658 0.04 1 
      522 . 64 ILE CA   C  58.876 0.5  1 
      523 . 64 ILE HA   H   4.168 0.04 1 
      524 . 64 ILE CB   C  35.231 0.5  1 
      525 . 64 ILE HB   H   2.379 0.04 1 
      526 . 64 ILE CG1  C  26.600 0.5  2 
      527 . 64 ILE HG13 H   1.215 0.04 1 
      528 . 64 ILE HG12 H   1.124 0.04 1 
      529 . 64 ILE CD1  C   9.930 0.5  1 
      530 . 64 ILE HD1  H   0.570 0.04 1 
      531 . 64 ILE CG2  C  17.300 0.5  1 
      532 . 64 ILE HG2  H   0.772 0.04 1 
      533 . 64 ILE C    C 174.358 0.5  1 
      534 . 65 SER N    N 121.391 0.5  1 
      535 . 65 SER H    H   7.614 0.04 1 
      536 . 65 SER CA   C  57.046 0.5  1 
      537 . 65 SER HA   H   4.510 0.04 1 
      538 . 65 SER CB   C  65.538 0.5  1 
      539 . 65 SER HB3  H   4.325 0.04 2 
      540 . 65 SER HB2  H   4.060 0.04 2 
      541 . 65 SER C    C 173.958 0.5  1 
      542 . 66 GLN N    N 121.071 0.5  1 
      543 . 66 GLN H    H   8.924 0.04 1 
      544 . 66 GLN CA   C  59.638 0.5  1 
      545 . 66 GLN HA   H   3.803 0.04 1 
      546 . 66 GLN CB   C  27.778 0.5  1 
      547 . 66 GLN HB3  H   2.210 0.04 1 
      548 . 66 GLN HB2  H   2.210 0.04 1 
      549 . 66 GLN CG   C  32.200 0.5  1 
      550 . 66 GLN HG3  H   2.325 0.04 1 
      551 . 66 GLN HG2  H   2.325 0.04 1 
      552 . 66 GLN NE2  N 111.670 0.5  1 
      553 . 66 GLN HE21 H   7.754 0.04 2 
      554 . 66 GLN HE22 H   6.439 0.04 2 
      555 . 66 GLN C    C 174.278 0.5  1 
      556 . 67 GLY N    N 104.866 0.5  1 
      557 . 67 GLY H    H   8.586 0.04 1 
      558 . 67 GLY CA   C  46.765 0.5  1 
      559 . 67 GLY HA3  H   3.826 0.04 1 
      560 . 67 GLY HA2  H   3.826 0.04 1 
      561 . 67 GLY C    C 178.092 0.5  1 
      562 . 68 LEU N    N 124.593 0.5  1 
      563 . 68 LEU H    H   7.810 0.04 1 
      564 . 68 LEU CA   C  57.135 0.5  1 
      565 . 68 LEU HA   H   4.249 0.04 1 
      566 . 68 LEU CB   C  41.483 0.5  1 
      567 . 68 LEU HB3  H   1.806 0.04 2 
      568 . 68 LEU HB2  H   1.594 0.04 2 
      569 . 68 LEU CG   C  26.500 0.5  1 
      570 . 68 LEU HG   H   0.971 0.04 1 
      571 . 68 LEU CD1  C  23.100 0.5  1 
      572 . 68 LEU HD1  H   0.979 0.04 1 
      573 . 68 LEU CD2  C  23.100 0.5  1 
      574 . 68 LEU HD2  H   0.979 0.04 1 
      575 . 68 LEU C    C 177.111 0.5  1 
      576 . 69 ALA N    N 122.621 0.5  1 
      577 . 69 ALA H    H   8.724 0.04 1 
      578 . 69 ALA CA   C  55.696 0.5  1 
      579 . 69 ALA HA   H   3.800 0.04 1 
      580 . 69 ALA CB   C  18.667 0.5  1 
      581 . 69 ALA HB   H   1.450 0.04 1 
      582 . 69 ALA C    C 178.135 0.5  1 
      583 . 70 GLU N    N 116.169 0.5  1 
      584 . 70 GLU H    H   7.949 0.04 1 
      585 . 70 GLU CA   C  59.919 0.5  1 
      586 . 70 GLU HA   H   3.946 0.04 1 
      587 . 70 GLU CB   C  29.729 0.5  1 
      588 . 70 GLU HB3  H   2.204 0.04 2 
      589 . 70 GLU HB2  H   2.180 0.04 2 
      590 . 70 GLU CG   C  37.000 0.5  1 
      591 . 70 GLU HG3  H   2.586 0.04 2 
      592 . 70 GLU HG2  H   2.340 0.04 2 
      593 . 70 GLU C    C 179.305 0.5  1 
      594 . 71 LYS N    N 119.355 0.5  1 
      595 . 71 LYS H    H   7.567 0.04 1 
      596 . 71 LYS CA   C  59.648 0.5  1 
      597 . 71 LYS HA   H   4.265 0.04 1 
      598 . 71 LYS CB   C  32.672 0.5  1 
      599 . 71 LYS HB3  H   2.070 0.04 2 
      600 . 71 LYS HB2  H   2.040 0.04 2 
      601 . 71 LYS CG   C  29.300 0.5  1 
      602 . 71 LYS HG3  H   1.688 0.04 2 
      603 . 71 LYS HG2  H   1.710 0.04 2 
      604 . 71 LYS CD   C  24.800 0.5  1 
      605 . 71 LYS HD3  H   1.470 0.04 2 
      606 . 71 LYS HD2  H   1.656 0.04 2 
      607 . 71 LYS CE   C  42.300 0.5  1 
      608 . 71 LYS HE3  H   2.983 0.04 1 
      609 . 71 LYS HE2  H   2.983 0.04 1 
      610 . 71 LYS C    C 178.138 0.5  1 
      611 . 72 ILE N    N 121.661 0.5  1 
      612 . 72 ILE H    H   8.940 0.04 1 
      613 . 72 ILE CA   C  65.640 0.5  1 
      614 . 72 ILE HA   H   3.515 0.04 1 
      615 . 72 ILE CB   C  38.370 0.5  1 
      616 . 72 ILE HB   H   1.920 0.04 1 
      617 . 72 ILE CG1  C  29.500 0.5  2 
      618 . 72 ILE HG13 H   1.900 0.04 1 
      619 . 72 ILE HG12 H   0.800 0.04 1 
      620 . 72 ILE CD1  C  15.000 0.5  1 
      621 . 72 ILE HD1  H   0.720 0.04 1 
      622 . 72 ILE CG2  C  17.300 0.5  1 
      623 . 72 ILE HG2  H   0.830 0.04 1 
      624 . 72 ILE C    C 180.448 0.5  1 
      625 . 73 PHE N    N 119.403 0.5  1 
      626 . 73 PHE H    H   8.515 0.04 1 
      627 . 73 PHE CA   C  61.864 0.5  1 
      628 . 73 PHE HA   H   3.864 0.04 1 
      629 . 73 PHE CB   C  40.630 0.5  1 
      630 . 73 PHE HB3  H   3.062 0.04 2 
      631 . 73 PHE HB2  H   2.938 0.04 2 
      632 . 73 PHE HD1  H   6.493 0.04 1 
      633 . 73 PHE HE1  H   6.858 0.04 1 
      634 . 73 PHE HZ   H   7.063 0.04 1 
      635 . 73 PHE HE2  H   6.858 0.04 1 
      636 . 73 PHE HD2  H   6.493 0.04 1 
      637 . 73 PHE C    C 176.784 0.5  1 
      638 . 74 TRP N    N 116.497 0.5  1 
      639 . 74 TRP H    H   8.310 0.04 1 
      640 . 74 TRP CA   C  60.100 0.5  1 
      641 . 74 TRP HA   H   4.352 0.04 1 
      642 . 74 TRP CB   C  29.300 0.5  1 
      643 . 74 TRP HB3  H   3.477 0.04 2 
      644 . 74 TRP HB2  H   3.357 0.04 2 
      645 . 74 TRP HD1  H   7.517 0.04 1 
      646 . 74 TRP NE1  N 129.057 0.5  1 
      647 . 74 TRP HE1  H  10.383 0.04 4 
      648 . 74 TRP HZ2  H   7.473 0.04 4 
      649 . 74 TRP HH2  H   7.285 0.04 1 
      650 . 74 TRP HZ3  H   7.181 0.04 4 
      651 . 74 TRP HE3  H   7.672 0.04 4 
      652 . 74 TRP C    C 179.287 0.5  1 
      653 . 75 SER N    N 116.497 0.5  1 
      654 . 75 SER H    H   8.310 0.04 1 
      655 . 75 SER CA   C  61.861 0.5  1 
      656 . 75 SER HA   H   4.368 0.04 1 
      657 . 75 SER CB   C  62.925 0.5  1 
      658 . 75 SER HB3  H   3.486 0.04 2 
      659 . 75 SER HB2  H   3.362 0.04 2 
      660 . 75 SER C    C 177.553 0.5  1 
      661 . 76 LEU N    N 119.018 0.5  1 
      662 . 76 LEU H    H   7.382 0.04 1 
      663 . 76 LEU CA   C  55.452 0.5  1 
      664 . 76 LEU HA   H   4.198 0.04 1 
      665 . 76 LEU CB   C  42.070 0.5  1 
      666 . 76 LEU HB3  H   1.712 0.04 2 
      667 . 76 LEU HB2  H   1.380 0.04 2 
      668 . 76 LEU CG   C  26.400 0.5  1 
      669 . 76 LEU HG   H   1.830 0.04 1 
      670 . 76 LEU CD1  C  22.700 0.5  1 
      671 . 76 LEU HD1  H   0.699 0.04 2 
      672 . 76 LEU CD2  C  26.600 0.5  1 
      673 . 76 LEU HD2  H   0.655 0.04 2 
      674 . 76 LEU C    C 175.651 0.5  1 
      675 . 77 LYS N    N 118.240 0.5  1 
      676 . 77 LYS H    H   7.175 0.04 1 
      677 . 77 LYS CA   C  55.748 0.5  1 
      678 . 77 LYS HA   H   4.144 0.04 1 
      679 . 77 LYS CB   C  32.718 0.5  1 
      680 . 77 LYS HB3  H   1.740 0.04 2 
      681 . 77 LYS HB2  H   1.596 0.04 2 
      682 . 77 LYS CG   C  28.400 0.5  1 
      683 . 77 LYS HG3  H   1.319 0.04 1 
      684 . 77 LYS HG2  H   1.319 0.04 1 
      685 . 77 LYS CD   C  24.200 0.5  1 
      686 . 77 LYS HD3  H   1.150 0.04 1 
      687 . 77 LYS HD2  H   1.150 0.04 1 
      688 . 77 LYS CE   C  42.200 0.5  1 
      689 . 77 LYS HE3  H   2.610 0.04 2 
      690 . 77 LYS HE2  H   2.290 0.04 2 
      691 . 77 LYS C    C 177.227 0.5  1 
      692 . 78 HIS N    N 124.116 0.5  1 
      693 . 78 HIS H    H   7.601 0.04 1 
      694 . 78 HIS CA   C  57.214 0.5  1 
      695 . 78 HIS HA   H   4.381 0.04 1 
      696 . 78 HIS CB   C  30.397 0.5  1 
      697 . 78 HIS HB3  H   3.173 0.04 2 
      698 . 78 HIS HB2  H   2.796 0.04 2 
      699 . 78 HIS HD2  H   6.442 0.04 4 
      700 . 78 HIS HE1  H   7.762 0.04 4 
      701 . 78 HIS C    C 175.548 0.5  1 

   stop_

save_