data_6986

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

save_entry_information
   _Saveframe_category      entry_information

   _Entry_title            
;
NMR ASSIGNMENT OF THE PHOSPHOTYROSINE BINDING(PTB) DOMAIN OF TENSIN
;
   _BMRB_accession_number   6986
   _BMRB_flat_file_name     bmr6986.str
   _Entry_type              original
   _Submission_date         2006-02-14
   _Accession_date          2006-02-14
   _Entry_origination       author
   _NMR_STAR_version        2.1.1
   _Experimental_method     NMR
   _Details                'Chemical Shift Assignments: Backbone 1H, 13C and 15N; carbon beta 13C;  side-chains 1H'

   loop_
      _Author_ordinal
      _Author_family_name
      _Author_given_name
      _Author_middle_initials
      _Author_family_title

      1 Leone      Marilisa . . 
      2 Pellecchia Maurizio . . 

   stop_

   loop_
      _Saveframe_category_type
      _Saveframe_category_type_count

      assigned_chemical_shifts 1 

   stop_

   loop_
      _Data_type
      _Data_type_count

      "1H chemical shifts"  729 
      "13C chemical shifts" 385 
      "15N chemical shifts" 135 

   stop_

   loop_
      _Revision_date
      _Revision_keyword
      _Revision_author
      _Revision_detail

      2007-02-08 update   BMRB   'complete entry citation' 
      2006-06-28 original author 'original release'        

   stop_

save_


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

save_entry_citation
   _Saveframe_category           entry_citation

   _Citation_full                .
   _Citation_title              'NMR assignment of the phosphotyrosine binding (PTB) domain of tensin'
   _Citation_status              published
   _Citation_type                journal
   _CAS_abstract_code            .
   _MEDLINE_UI_code              .
   _PubMed_ID                    16705357

   loop_
      _Author_ordinal
      _Author_family_name
      _Author_given_name
      _Author_middle_initials
      _Author_family_title

      1 Leone      Marilisa .    . 
      2 Yu         Eric     C.W. . 
      3 Liddington Robert   .    . 
      4 Pellecchia Maurizio .    . 

   stop_

   _Journal_abbreviation        'J. Biomol. NMR'
   _Journal_volume               36
   _Journal_issue               'Suppl. 5'
   _Journal_CSD                  .
   _Book_chapter_title           .
   _Book_volume                  .
   _Book_series                  .
   _Book_ISBN                    .
   _Conference_state_province    .
   _Conference_abstract_number   .
   _Page_first                   40
   _Page_last                    40
   _Year                         2006
   _Details                      .

   loop_
      _Keyword

      'NMR ASSIGNMENT' 

   stop_

save_


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

save_assembly
   _Saveframe_category         molecular_system

   _Mol_system_name           'Phosphotyrosine binding domain of chicken tensin 1'
   _Enzyme_commission_number   .

   loop_
      _Mol_system_component_name
      _Mol_label

      'Phosphotyrosine binding domain of chicken tensin 1' $PTB_domain_of_tensin_1 

   stop_

   _System_molecular_weight    15650
   _System_physical_state      native
   _System_oligomer_state      protein
   _System_paramagnetic        no
   _System_thiol_state        'all free'

   loop_
      _Biological_function

      'Phosphotyrosine binding' 

   stop_

   _Database_query_date        .
   _Details                    .

save_


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

save_PTB_domain_of_tensin_1
   _Saveframe_category                          monomeric_polymer

   _Mol_type                                    polymer
   _Mol_polymer_class                           protein
   _Name_common                                'Phosphotyrosine Binding Domain of tensin'
   _Molecular_mass                              .
   _Mol_thiol_state                            'all free'
   _Details                                     .

   	##############################
   	#  Polymer residue sequence  #
   	##############################
   
      _Residue_count                               144
   _Mol_residue_sequence                       
;
GSHMGAACNVLFINSVEMES
LTGPQAISKAVAETLVADPT
PTATIVHFKVSAQGITLTDN
QRKLFFRRHYPLNTVTFCDL
DPQERKWTKTDGSGPAKLFG
FVARKQGSTTDNVCHLFAEL
DPDQPAAAIVNFVSRVMLGS
GQKR
;

   loop_
      _Residue_seq_code
      _Residue_label

        1 GLY    2 SER    3 HIS    4 MET    5 GLY 
        6 ALA    7 ALA    8 CYS    9 ASN   10 VAL 
       11 LEU   12 PHE   13 ILE   14 ASN   15 SER 
       16 VAL   17 GLU   18 MET   19 GLU   20 SER 
       21 LEU   22 THR   23 GLY   24 PRO   25 GLN 
       26 ALA   27 ILE   28 SER   29 LYS   30 ALA 
       31 VAL   32 ALA   33 GLU   34 THR   35 LEU 
       36 VAL   37 ALA   38 ASP   39 PRO   40 THR 
       41 PRO   42 THR   43 ALA   44 THR   45 ILE 
       46 VAL   47 HIS   48 PHE   49 LYS   50 VAL 
       51 SER   52 ALA   53 GLN   54 GLY   55 ILE 
       56 THR   57 LEU   58 THR   59 ASP   60 ASN 
       61 GLN   62 ARG   63 LYS   64 LEU   65 PHE 
       66 PHE   67 ARG   68 ARG   69 HIS   70 TYR 
       71 PRO   72 LEU   73 ASN   74 THR   75 VAL 
       76 THR   77 PHE   78 CYS   79 ASP   80 LEU 
       81 ASP   82 PRO   83 GLN   84 GLU   85 ARG 
       86 LYS   87 TRP   88 THR   89 LYS   90 THR 
       91 ASP   92 GLY   93 SER   94 GLY   95 PRO 
       96 ALA   97 LYS   98 LEU   99 PHE  100 GLY 
      101 PHE  102 VAL  103 ALA  104 ARG  105 LYS 
      106 GLN  107 GLY  108 SER  109 THR  110 THR 
      111 ASP  112 ASN  113 VAL  114 CYS  115 HIS 
      116 LEU  117 PHE  118 ALA  119 GLU  120 LEU 
      121 ASP  122 PRO  123 ASP  124 GLN  125 PRO 
      126 ALA  127 ALA  128 ALA  129 ILE  130 VAL 
      131 ASN  132 PHE  133 VAL  134 SER  135 ARG 
      136 VAL  137 MET  138 LEU  139 GLY  140 SER 
      141 GLY  142 GLN  143 LYS  144 ARG 

   stop_

   _Sequence_homology_query_date                .
   _Sequence_homology_query_revised_last_date   2015-01-28

   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  1WVH         "Crystal Structure Of Tensin1 Ptb Domain"                            93.06  134 100.00 100.00 1.16e-93  
      PDB  2GJY         "Nmr Solution Structure Of Tensin1 Ptb Domain"                      100.00  144 100.00 100.00 5.19e-102 
      EMBL CAA46992     "tensin, partial [Gallus gallus]"                                    97.22  276 100.00 100.00 1.09e-96  
      EMBL CAA79215     "tensin, partial [Gallus gallus]"                                    97.22 1792  99.29 100.00 3.92e-89  
      GB   AAA49087     "tensin [Gallus gallus]"                                             97.22 1733 100.00 100.00 8.95e-90  
      GB   AAA59053     "cardiac muscle tensin [Gallus gallus]"                              97.22 1744 100.00 100.00 8.23e-90  
      GB   AAA73949     "tensin, partial [Gallus gallus]"                                    97.22 1792  99.29 100.00 3.92e-89  
      GB   KFM04647     "Tensin, partial [Aptenodytes forsteri]"                             97.22 1733  98.57 100.00 4.73e-89  
      GB   KFO55064     "Tensin, partial [Corvus brachyrhynchos]"                            97.22 1640  99.29 100.00 9.71e-90  
      REF  NP_990786    "tensin [Gallus gallus]"                                             97.22 1733 100.00 100.00 8.95e-90  
      REF  XP_004176788 "PREDICTED: LOW QUALITY PROTEIN: tensin-like [Taeniopygia guttata]"  97.22 1909  99.29 100.00 6.29e-89  
      REF  XP_005010958 "PREDICTED: LOW QUALITY PROTEIN: tensin-like [Anas platyrhynchos]"   97.22 1086  99.29 100.00 3.57e-89  
      REF  XP_005049507 "PREDICTED: tensin-like isoform X1 [Ficedula albicollis]"            97.22 1900 100.00 100.00 1.59e-89  
      REF  XP_005049508 "PREDICTED: tensin-like isoform X2 [Ficedula albicollis]"            97.22 1888 100.00 100.00 1.89e-89  
      SP   Q04205       "RecName: Full=Tensin [Gallus gallus]"                               97.22 1744 100.00 100.00 8.23e-90  

   stop_

save_


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

save_natural_source
   _Saveframe_category   natural_source


   loop_
      _Mol_label
      _Organism_name_common
      _NCBI_taxonomy_ID
      _Superkingdom
      _Kingdom
      _Genus
      _Species

      $PTB_domain_of_tensin_1 Chicken 9031 Eukaryota Metazoa Gallus gallus 

   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

      $PTB_domain_of_tensin_1 'recombinant technology' 'E. coli' . . . . 

   stop_

save_


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

save_sample_1
   _Saveframe_category   sample

   _Sample_type          solution
   _Details              .

   loop_
      _Mol_label
      _Concentration_value
      _Concentration_value_units
      _Isotopic_labeling

      $PTB_domain_of_tensin_1   1 mM '[U- 13C; U- 15N]' 
      'potassium phosphate'    50 mM  .                 
       NaCl                   150 mM  .                 

   stop_

save_


save_sample_2
   _Saveframe_category   sample

   _Sample_type          solution
   _Details              .

   loop_
      _Mol_label
      _Concentration_value
      _Concentration_value_units
      _Isotopic_labeling

      $PTB_domain_of_tensin_1   1 mM [U-15N] 
      'Potassium phosphate'    50 mM .       
       NaCl                   150 mM .       

   stop_

save_


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

save_software_1
   _Saveframe_category   software

   _Name                 xwinnmr
   _Version              3.5

   loop_
      _Task

      'DATA PROCESSING' 

   stop_

   _Details              .

save_


save_software_2
   _Saveframe_category   software

   _Name                 XEASY
   _Version              1.3.13

   loop_
      _Task

      'DATA ANALYSIS' 

   stop_

   _Details              .

save_


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

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

save_spectrometer_1
   _Saveframe_category   NMR_spectrometer

   _Manufacturer         Bruker
   _Model                Avance
   _Field_strength       600
   _Details              .

save_


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

save_1H-15N_HSQC_1
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '1H-15N HSQC'
   _Sample_label         .

save_


save_1H-13C_HSQC_2
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '1H-13C HSQC'
   _Sample_label         .

save_


save_1H-1H-15N_NOESY_3
   _Saveframe_category   NMR_applied_experiment

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

save_


save_1H-1H-15N_TOCSY_4
   _Saveframe_category   NMR_applied_experiment

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

save_


save_1H-1H_NOESY_5
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '1H-1H NOESY'
   _Sample_label         .

save_


save_HNCA_6
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name      HNCA
   _Sample_label        $sample_1

save_


save_HNCACB_7
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name      HNCACB
   _Sample_label        $sample_2

save_


save_HCCH_TOCSY_8
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     'HCCH TOCSY'
   _Sample_label         .

save_


save_HNCO_9
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name      HNCO
   _Sample_label         .

save_


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

save_conditions_1
   _Saveframe_category   sample_conditions

   _Details              .

   loop_
      _Variable_type
      _Variable_value
      _Variable_value_error
      _Variable_value_units

      pH            7.0 0.1 pH 
      temperature 298.0 0.1 K  

   stop_

save_


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

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

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

save_chemical_shift_referencing
   _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
      _Indirect_shift_ratio_citation_label
      _Correction_value_citation_label

      DSS C 13 'methyl protons' ppm 0.0 .        indirect . . . 0.251449530 $entry_citation $entry_citation 
      DSS H  1 'methyl protons' ppm 0.0 internal direct   . . . 1.0         $entry_citation $entry_citation 
      DSS N 15 'methyl protons' ppm 0.0 .        indirect . . . 0.101329118 $entry_citation $entry_citation 

   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_chem_shift_list_1
   _Saveframe_category               assigned_chemical_shifts

   _Details                          .

   loop_
      _Experiment_label

      '1H-15N HSQC'     
      '1H-13C HSQC'     
      '1H-1H-15N NOESY' 
      '1H-1H-15N TOCSY' 
      '1H-1H NOESY'     
       HNCA             
       HNCACB           
      'HCCH TOCSY'      
       HNCO             

   stop_

   loop_
      _Sample_label

      $sample_1 
      $sample_2 

   stop_

   _Sample_conditions_label         $conditions_1
   _Chem_shift_reference_set_label  $chemical_shift_referencing
   _Mol_system_component_name       'Phosphotyrosine binding domain of chicken tensin 1'
   _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   3   3 HIS HA   H   4.10 0.01 1 
         2   3   3 HIS HB2  H   3.06 0.01 1 
         3   3   3 HIS HB3  H   3.06 0.01 1 
         4   3   3 HIS C    C 174.8  1.00 1 
         5   4   4 MET H    H   8.39 0.01 1 
         6   4   4 MET HA   H   4.34 0.01 1 
         7   4   4 MET HB2  H   2.00 0.01 2 
         8   4   4 MET HB3  H   2.30 0.01 2 
         9   4   4 MET HG2  H   2.80 0.01 1 
        10   4   4 MET HG3  H   2.80 0.01 1 
        11   4   4 MET HE   H   2.09 0.01 1 
        12   4   4 MET C    C 173.3  1.00 1 
        13   4   4 MET CA   C  52.4  0.90 1 
        14   4   4 MET CB   C  29.5  0.90 1 
        15   4   4 MET N    N 120.8  0.20 1 
        16   5   5 GLY H    H   7.95 0.01 1 
        17   5   5 GLY HA2  H   3.63 0.01 2 
        18   5   5 GLY HA3  H   3.83 0.01 2 
        19   5   5 GLY C    C 174.4  1.00 1 
        20   5   5 GLY CA   C  42.5  0.90 1 
        21   5   5 GLY N    N 109.3  0.20 1 
        22   6   6 ALA H    H   7.78 0.01 1 
        23   6   6 ALA HA   H   4.06 0.01 1 
        24   6   6 ALA HB   H   0.54 0.01 1 
        25   6   6 ALA C    C 172.7  1.00 1 
        26   6   6 ALA CA   C  49.0  0.90 1 
        27   6   6 ALA CB   C  18.1  0.90 1 
        28   6   6 ALA N    N 121.3  0.20 1 
        29   7   7 ALA H    H   7.87 0.01 1 
        30   7   7 ALA HA   H   5.27 0.01 1 
        31   7   7 ALA HB   H   1.18 0.01 1 
        32   7   7 ALA C    C 173.5  1.00 1 
        33   7   7 ALA CA   C  48.7  0.90 1 
        34   7   7 ALA CB   C  19.3  0.90 1 
        35   7   7 ALA N    N 120.7  0.20 1 
        36   8   8 CYS H    H   8.53 0.01 1 
        37   8   8 CYS HA   H   4.71 0.01 1 
        38   8   8 CYS HB2  H   3.04 0.01 2 
        39   8   8 CYS HB3  H   2.89 0.01 2 
        40   8   8 CYS C    C 172.0  1.00 1 
        41   8   8 CYS CA   C  53.6  0.90 1 
        42   8   8 CYS CB   C  27.7  0.90 1 
        43   8   8 CYS N    N 116.1  0.20 1 
        44   9   9 ASN H    H   8.70 0.01 1 
        45   9   9 ASN HA   H   5.88 0.01 1 
        46   9   9 ASN HB2  H   2.32 0.01 2 
        47   9   9 ASN HB3  H   2.77 0.01 2 
        48   9   9 ASN HD21 H   7.48 0.01 2 
        49   9   9 ASN HD22 H   6.77 0.01 2 
        50   9   9 ASN C    C 172.0  1.00 1 
        51   9   9 ASN CA   C  50.0  0.90 1 
        52   9   9 ASN CB   C  37.0  0.90 1 
        53   9   9 ASN N    N 119.7  0.20 1 
        54   9   9 ASN ND2  N 111.9  0.20 1 
        55  10  10 VAL H    H   9.10 0.01 1 
        56  10  10 VAL HA   H   4.76 0.01 1 
        57  10  10 VAL HB   H   2.36 0.01 1 
        58  10  10 VAL HG1  H   1.08 0.01 2 
        59  10  10 VAL HG2  H   0.85 0.01 2 
        60  10  10 VAL C    C 171.5  1.00 1 
        61  10  10 VAL CA   C  56.9  0.90 1 
        62  10  10 VAL CB   C  33.7  0.90 1 
        63  10  10 VAL N    N 113.8  0.20 1 
        64  11  11 LEU H    H   8.63 0.01 1 
        65  11  11 LEU HA   H   4.92 0.01 1 
        66  11  11 LEU HB2  H   1.47 0.01 1 
        67  11  11 LEU HB3  H   1.47 0.01 1 
        68  11  11 LEU HG   H   1.69 0.01 1 
        69  11  11 LEU HD1  H   1.07 0.01 2 
        70  11  11 LEU HD2  H   0.67 0.01 2 
        71  11  11 LEU C    C 174.2  1.00 1 
        72  11  11 LEU CA   C  51.2  0.90 1 
        73  11  11 LEU CB   C  40.8  0.90 1 
        74  11  11 LEU N    N 118.9  0.20 1 
        75  12  12 PHE H    H   9.68 0.01 1 
        76  12  12 PHE HA   H   4.46 0.01 1 
        77  12  12 PHE HB2  H   3.06 0.01 2 
        78  12  12 PHE HB3  H   2.92 0.01 2 
        79  12  12 PHE HD1  H   6.63 0.01 1 
        80  12  12 PHE HD2  H   6.63 0.01 1 
        81  12  12 PHE HE1  H   6.92 0.01 1 
        82  12  12 PHE HE2  H   6.92 0.01 1 
        83  12  12 PHE HZ   H   7.30 0.01 1 
        84  12  12 PHE C    C 171.1  1.00 1 
        85  12  12 PHE CA   C  55.1  0.90 1 
        86  12  12 PHE CB   C  37.8  0.90 1 
        87  12  12 PHE N    N 124.9  0.20 1 
        88  13  13 ILE H    H   7.68 0.01 1 
        89  13  13 ILE HA   H   3.28 0.01 1 
        90  13  13 ILE HB   H   1.79 0.01 1 
        91  13  13 ILE HG12 H   0.52 0.01 1 
        92  13  13 ILE HG13 H   0.52 0.01 1 
        93  13  13 ILE HG2  H  -0.48 0.01 1 
        94  13  13 ILE HD1  H  -0.75 0.01 1 
        95  13  13 ILE C    C 170.7  1.00 1 
        96  13  13 ILE CA   C  57.6  0.90 1 
        97  13  13 ILE CB   C  35.0  0.90 1 
        98  13  13 ILE N    N 126.1  0.20 1 
        99  14  14 ASN H    H   6.09 0.01 1 
       100  14  14 ASN HA   H   4.33 0.01 1 
       101  14  14 ASN HB2  H   2.39 0.01 1 
       102  14  14 ASN HB3  H   2.39 0.01 1 
       103  14  14 ASN HD21 H   7.24 0.01 2 
       104  14  14 ASN HD22 H   7.12 0.01 2 
       105  14  14 ASN C    C 169.9  1.00 1 
       106  14  14 ASN CA   C  49.2  0.90 1 
       107  14  14 ASN CB   C  38.8  0.90 1 
       108  14  14 ASN N    N 109.1  0.20 1 
       109  14  14 ASN ND2  N 111.9  0.20 1 
       110  15  15 SER H    H   7.42 0.01 1 
       111  15  15 SER HA   H   5.17 0.01 1 
       112  15  15 SER HB2  H   3.38 0.01 1 
       113  15  15 SER HB3  H   3.38 0.01 1 
       114  15  15 SER C    C 170.2  1.00 1 
       115  15  15 SER CA   C  55.4  0.90 1 
       116  15  15 SER CB   C  61.1  0.90 1 
       117  15  15 SER N    N 117.5  0.20 1 
       118  16  16 VAL H    H   8.81 0.01 1 
       119  16  16 VAL HA   H   4.12 0.01 1 
       120  16  16 VAL HB   H   1.79 0.01 1 
       121  16  16 VAL HG1  H   0.81 0.01 2 
       122  16  16 VAL HG2  H   0.60 0.01 2 
       123  16  16 VAL C    C 172.5  1.00 1 
       124  16  16 VAL CA   C  58.1  0.90 1 
       125  16  16 VAL CB   C  32.6  0.90 1 
       126  16  16 VAL N    N 124.1  0.20 1 
       127  17  17 GLU H    H   8.94 0.01 1 
       128  17  17 GLU HA   H   3.97 0.01 1 
       129  17  17 GLU HB2  H   2.17 0.01 2 
       130  17  17 GLU HB3  H   1.89 0.01 2 
       131  17  17 GLU HG2  H   2.36 0.01 1 
       132  17  17 GLU HG3  H   2.36 0.01 1 
       133  17  17 GLU C    C 173.9  1.00 1 
       134  17  17 GLU CA   C  55.9  0.90 1 
       135  17  17 GLU CB   C  26.6  0.90 1 
       136  17  17 GLU N    N 129.3  0.20 1 
       137  18  18 MET H    H   8.12 0.01 1 
       138  18  18 MET HA   H   4.70 0.01 1 
       139  18  18 MET HB2  H   2.19 0.01 1 
       140  18  18 MET HB3  H   2.19 0.01 1 
       141  18  18 MET HG2  H   2.75 0.01 1 
       142  18  18 MET HG3  H   2.75 0.01 1 
       143  18  18 MET C    C 174.3  1.00 1 
       144  18  18 MET CA   C  50.3  0.90 1 
       145  18  18 MET CB   C  31.9  0.90 1 
       146  18  18 MET N    N 120.1  0.20 1 
       147  19  19 GLU H    H   8.92 0.01 1 
       148  19  19 GLU HA   H   3.90 0.01 1 
       149  19  19 GLU HB2  H   2.15 0.01 1 
       150  19  19 GLU HB3  H   2.15 0.01 1 
       151  19  19 GLU HG2  H   2.33 0.01 1 
       152  19  19 GLU HG3  H   2.33 0.01 1 
       153  19  19 GLU C    C 173.4  1.00 1 
       154  19  19 GLU CA   C  56.3  0.90 1 
       155  19  19 GLU CB   C  25.1  0.90 1 
       156  19  19 GLU N    N 121.6  0.20 1 
       157  20  20 SER H    H   8.04 0.01 1 
       158  20  20 SER HA   H   4.65 0.01 1 
       159  20  20 SER HB2  H   3.87 0.01 1 
       160  20  20 SER HB3  H   3.87 0.01 1 
       161  20  20 SER C    C 172.0  1.00 1 
       162  20  20 SER CA   C  56.1  0.90 1 
       163  20  20 SER CB   C  61.1  0.90 1 
       164  20  20 SER N    N 116.3  0.20 1 
       165  21  21 LEU H    H   7.74 0.01 1 
       166  21  21 LEU HA   H   4.07 0.01 1 
       167  21  21 LEU HB2  H   1.52 0.01 1 
       168  21  21 LEU HB3  H   1.52 0.01 1 
       169  21  21 LEU HG   H   1.45 0.01 1 
       170  21  21 LEU HD1  H   0.77 0.01 2 
       171  21  21 LEU HD2  H   0.77 0.01 2 
       172  21  21 LEU C    C 172.6  1.00 1 
       173  21  21 LEU CA   C  53.7  0.90 1 
       174  21  21 LEU CB   C  36.9  0.90 1 
       175  21  21 LEU N    N 124.9  0.20 1 
       176  22  22 THR H    H   7.57 0.01 1 
       177  22  22 THR HA   H   4.19 0.01 1 
       178  22  22 THR HB   H   3.85 0.01 1 
       179  22  22 THR HG2  H   1.03 0.01 1 
       180  22  22 THR C    C 171.1  1.00 1 
       181  22  22 THR CA   C  56.6  0.90 1 
       182  22  22 THR CB   C  67.6  0.90 1 
       183  22  22 THR N    N 113.4  0.20 1 
       184  23  23 GLY H    H   7.30 0.01 1 
       185  23  23 GLY HA2  H   3.77 0.01 1 
       186  23  23 GLY HA3  H   3.77 0.01 1 
       187  23  23 GLY CA   C  42.0  0.90 1 
       188  23  23 GLY N    N 106.4  0.20 1 
       189  24  24 PRO HA   H   4.68 0.01 1 
       190  24  24 PRO HB2  H   2.29 0.01 2 
       191  24  24 PRO HB3  H   2.37 0.01 2 
       192  24  24 PRO HG2  H   2.01 0.01 1 
       193  24  24 PRO HG3  H   2.01 0.01 1 
       194  24  24 PRO HD2  H   3.51 0.01 2 
       195  24  24 PRO HD3  H   3.60 0.01 2 
       196  24  24 PRO C    C 176.0  1.00 1 
       197  24  24 PRO CA   C  62.9  0.90 1 
       198  24  24 PRO CB   C  29.1  0.90 1 
       199  25  25 GLN H    H   8.47 0.01 1 
       200  25  25 GLN HA   H   3.94 0.01 1 
       201  25  25 GLN HB2  H   1.98 0.01 1 
       202  25  25 GLN HB3  H   1.98 0.01 1 
       203  25  25 GLN HG2  H   2.37 0.01 1 
       204  25  25 GLN HG3  H   2.37 0.01 1 
       205  25  25 GLN C    C 176.0  1.00 1 
       206  25  25 GLN CA   C  55.8  0.90 1 
       207  25  25 GLN CB   C  25.6  0.90 1 
       208  25  25 GLN N    N 114.4  0.20 1 
       209  26  26 ALA H    H   7.18 0.01 1 
       210  26  26 ALA HA   H   3.99 0.01 1 
       211  26  26 ALA HB   H   1.15 0.01 1 
       212  26  26 ALA C    C 175.6  1.00 1 
       213  26  26 ALA CA   C  51.8  0.90 1 
       214  26  26 ALA CB   C  15.9  0.90 1 
       215  26  26 ALA N    N 121.4  0.20 1 
       216  27  27 ILE H    H   7.01 0.01 1 
       217  27  27 ILE HA   H   3.70 0.01 1 
       218  27  27 ILE HB   H   1.95 0.01 1 
       219  27  27 ILE HG12 H   1.54 0.01 2 
       220  27  27 ILE HG13 H   1.21 0.01 2 
       221  27  27 ILE HG2  H   0.80 0.01 1 
       222  27  27 ILE HD1  H   0.71 0.01 1 
       223  27  27 ILE C    C 175.2  1.00 1 
       224  27  27 ILE CA   C  61.6  0.90 1 
       225  27  27 ILE CB   C  33.9  0.90 1 
       226  27  27 ILE N    N 115.3  0.20 1 
       227  28  28 SER H    H   8.27 0.01 1 
       228  28  28 SER HA   H   3.82 0.01 1 
       229  28  28 SER HB2  H   3.71 0.01 1 
       230  28  28 SER HB3  H   3.71 0.01 1 
       231  28  28 SER C    C 174.3  1.00 1 
       232  28  28 SER CA   C  58.7  0.90 1 
       233  28  28 SER CB   C  60.3  0.90 1 
       234  28  28 SER N    N 111.8  0.20 1 
       235  29  29 LYS H    H   7.79 0.01 1 
       236  29  29 LYS HA   H   4.00 0.01 1 
       237  29  29 LYS HB2  H   1.74 0.01 1 
       238  29  29 LYS HB3  H   1.74 0.01 1 
       239  29  29 LYS HG2  H   1.42 0.01 1 
       240  29  29 LYS HG3  H   1.42 0.01 1 
       241  29  29 LYS HE2  H   2.95 0.01 1 
       242  29  29 LYS HE3  H   2.95 0.01 1 
       243  29  29 LYS C    C 174.3  1.00 1 
       244  29  29 LYS CA   C  56.3  0.90 1 
       245  29  29 LYS CB   C  30.1  0.90 1 
       246  29  29 LYS N    N 120.6  0.20 1 
       247  30  30 ALA H    H   8.21 0.01 1 
       248  30  30 ALA HA   H   3.74 0.01 1 
       249  30  30 ALA HB   H   1.30 0.01 1 
       250  30  30 ALA C    C 178.2  1.00 1 
       251  30  30 ALA CA   C  52.5  0.90 1 
       252  30  30 ALA CB   C  16.3  0.90 1 
       253  30  30 ALA N    N 120.4  0.20 1 
       254  31  31 VAL H    H   8.55 0.01 1 
       255  31  31 VAL HA   H   4.04 0.01 1 
       256  31  31 VAL HB   H   2.11 0.01 1 
       257  31  31 VAL HG1  H   0.90 0.01 2 
       258  31  31 VAL HG2  H   0.90 0.01 2 
       259  31  31 VAL C    C 174.2  1.00 1 
       260  31  31 VAL CA   C  64.8  0.90 1 
       261  31  31 VAL CB   C  29.5  0.90 1 
       262  31  31 VAL N    N 121.2  0.20 1 
       263  32  32 ALA H    H   8.07 0.01 1 
       264  32  32 ALA HA   H   3.75 0.01 1 
       265  32  32 ALA HB   H   1.49 0.01 1 
       266  32  32 ALA C    C 178.4  1.00 1 
       267  32  32 ALA CA   C  53.3  0.90 1 
       268  32  32 ALA CB   C  15.5  0.90 1 
       269  32  32 ALA N    N 121.8  0.20 1 
       270  33  33 GLU H    H   8.19 0.01 1 
       271  33  33 GLU HA   H   3.86 0.01 1 
       272  33  33 GLU HB2  H   1.86 0.01 1 
       273  33  33 GLU HB3  H   1.86 0.01 1 
       274  33  33 GLU HG2  H   2.28 0.01 2 
       275  33  33 GLU HG3  H   2.14 0.01 2 
       276  33  33 GLU C    C 176.7  1.00 1 
       277  33  33 GLU CA   C  55.6  0.90 1 
       278  33  33 GLU CB   C  26.8  0.90 1 
       279  33  33 GLU N    N 114.2  0.20 1 
       280  34  34 THR H    H   7.72 0.01 1 
       281  34  34 THR HA   H   4.78 0.01 1 
       282  34  34 THR HB   H   4.11 0.01 1 
       283  34  34 THR HG2  H   0.92 0.01 1 
       284  34  34 THR C    C 173.1  1.00 1 
       285  34  34 THR CA   C  64.3  0.90 1 
       286  34  34 THR CB   C  65.6  0.90 1 
       287  34  34 THR N    N 117.5  0.20 1 
       288  35  35 LEU H    H   8.20 0.01 1 
       289  35  35 LEU HA   H   4.14 0.01 1 
       290  35  35 LEU HB2  H   1.51 0.01 2 
       291  35  35 LEU HB3  H   1.82 0.01 2 
       292  35  35 LEU HG   H   1.48 0.01 1 
       293  35  35 LEU HD1  H   0.89 0.01 2 
       294  35  35 LEU HD2  H   0.68 0.01 2 
       295  35  35 LEU C    C 175.3  1.00 1 
       296  35  35 LEU CA   C  54.8  0.90 1 
       297  35  35 LEU CB   C  38.8  0.90 1 
       298  35  35 LEU N    N 119.2  0.20 1 
       299  36  36 VAL H    H   6.81 0.01 1 
       300  36  36 VAL HA   H   4.45 0.01 1 
       301  36  36 VAL HB   H   2.30 0.01 1 
       302  36  36 VAL HG1  H   0.85 0.01 2 
       303  36  36 VAL HG2  H   0.85 0.01 2 
       304  36  36 VAL C    C 173.0  1.00 1 
       305  36  36 VAL CA   C  57.6  0.90 1 
       306  36  36 VAL CB   C  27.2  0.90 1 
       307  36  36 VAL N    N 108.3  0.20 1 
       308  37  37 ALA H    H   6.95 0.01 1 
       309  37  37 ALA HA   H   4.02 0.01 1 
       310  37  37 ALA HB   H   1.38 0.01 1 
       311  37  37 ALA C    C 173.3  1.00 1 
       312  37  37 ALA CA   C  50.7  0.90 1 
       313  37  37 ALA CB   C  16.2  0.90 1 
       314  37  37 ALA N    N 126.6  0.20 1 
       315  38  38 ASP H    H   8.03 0.01 1 
       316  38  38 ASP HA   H   4.67 0.01 1 
       317  38  38 ASP HB2  H   2.64 0.01 2 
       318  38  38 ASP HB3  H   2.38 0.01 2 
       319  38  38 ASP CA   C  48.1  0.90 1 
       320  38  38 ASP CB   C  40.9  0.90 1 
       321  38  38 ASP N    N 120.8  0.20 1 
       322  39  39 PRO HA   H   4.92 0.01 1 
       323  39  39 PRO HB2  H   2.32 0.01 2 
       324  39  39 PRO HB3  H   1.96 0.01 2 
       325  39  39 PRO HG2  H   1.55 0.01 2 
       326  39  39 PRO HG3  H   1.46 0.01 2 
       327  39  39 PRO HD2  H   3.46 0.01 1 
       328  39  39 PRO HD3  H   3.46 0.01 1 
       329  39  39 PRO C    C 173.5  1.00 1 
       330  39  39 PRO CA   C  60.2  0.90 1 
       331  39  39 PRO CB   C  31.7  0.90 1 
       332  40  40 THR H    H   8.43 0.01 1 
       333  40  40 THR HA   H   4.30 0.01 1 
       334  40  40 THR HB   H   3.93 0.01 1 
       335  40  40 THR HG2  H   1.40 0.01 1 
       336  40  40 THR CA   C  58.8  0.90 1 
       337  40  40 THR CB   C  67.4  0.90 1 
       338  40  40 THR N    N 118.3  0.20 1 
       339  41  41 PRO HA   H   4.67 0.01 1 
       340  41  41 PRO HB2  H   2.20 0.01 1 
       341  41  41 PRO HB3  H   2.20 0.01 1 
       342  41  41 PRO HG2  H   1.75 0.01 1 
       343  41  41 PRO HG3  H   1.75 0.01 1 
       344  41  41 PRO HD2  H   3.54 0.01 1 
       345  41  41 PRO HD3  H   3.54 0.01 1 
       346  41  41 PRO C    C 172.5  1.00 1 
       347  41  41 PRO CA   C  59.6  0.90 1 
       348  41  41 PRO CB   C  29.6  0.90 1 
       349  42  42 THR H    H   8.37 0.01 1 
       350  42  42 THR HA   H   4.21 0.01 1 
       351  42  42 THR HB   H   4.00 0.01 1 
       352  42  42 THR HG2  H   1.17 0.01 1 
       353  42  42 THR C    C 170.6  1.00 1 
       354  42  42 THR CA   C  59.3  0.90 1 
       355  42  42 THR CB   C  67.2  0.90 1 
       356  42  42 THR N    N 118.0  0.20 1 
       357  43  43 ALA H    H   8.49 0.01 1 
       358  43  43 ALA HA   H   4.63 0.01 1 
       359  43  43 ALA HB   H   1.18 0.01 1 
       360  43  43 ALA C    C 174.7  1.00 1 
       361  43  43 ALA CA   C  48.8  0.90 1 
       362  43  43 ALA CB   C  18.7  0.90 1 
       363  43  43 ALA N    N 129.8  0.20 1 
       364  44  44 THR H    H   8.37 0.01 1 
       365  44  44 THR HA   H   4.61 0.01 1 
       366  44  44 THR HB   H   3.79 0.01 1 
       367  44  44 THR HG2  H   1.11 0.01 1 
       368  44  44 THR C    C 170.3  1.00 1 
       369  44  44 THR CA   C  58.3  0.90 1 
       370  44  44 THR CB   C  69.2  0.90 1 
       371  44  44 THR N    N 115.9  0.20 1 
       372  45  45 ILE H    H   8.51 0.01 1 
       373  45  45 ILE HA   H   4.48 0.01 1 
       374  45  45 ILE HB   H   1.65 0.01 1 
       375  45  45 ILE HG12 H   1.15 0.01 1 
       376  45  45 ILE HG13 H   1.15 0.01 1 
       377  45  45 ILE HG2  H   0.85 0.01 1 
       378  45  45 ILE HD1  H   0.83 0.01 1 
       379  45  45 ILE C    C 173.5  1.00 1 
       380  45  45 ILE CA   C  60.6  0.90 1 
       381  45  45 ILE CB   C  35.5  0.90 1 
       382  45  45 ILE N    N 128.3  0.20 1 
       383  46  46 VAL H    H   9.34 0.01 1 
       384  46  46 VAL HA   H   5.16 0.01 1 
       385  46  46 VAL HB   H   2.08 0.01 1 
       386  46  46 VAL HG1  H   1.11 0.01 2 
       387  46  46 VAL HG2  H   1.11 0.01 2 
       388  46  46 VAL C    C 170.8  1.00 1 
       389  46  46 VAL CA   C  55.7  0.90 1 
       390  46  46 VAL CB   C  33.0  0.90 1 
       391  46  46 VAL N    N 121.7  0.20 1 
       392  47  47 HIS H    H   9.18 0.01 1 
       393  47  47 HIS HA   H   5.02 0.01 1 
       394  47  47 HIS HB2  H   3.12 0.01 1 
       395  47  47 HIS HB3  H   3.12 0.01 1 
       396  47  47 HIS HD2  H   6.60 0.01 1 
       397  47  47 HIS HE1  H   6.88 0.01 1 
       398  47  47 HIS C    C 170.8  1.00 1 
       399  47  47 HIS CA   C  54.4  0.90 1 
       400  47  47 HIS CB   C  29.2  0.90 1 
       401  47  47 HIS N    N 123.7  0.20 1 
       402  48  48 PHE H    H   9.09 0.01 1 
       403  48  48 PHE HA   H   4.53 0.01 1 
       404  48  48 PHE HB2  H   3.11 0.01 1 
       405  48  48 PHE HB3  H   3.11 0.01 1 
       406  48  48 PHE HD1  H   6.91 0.01 1 
       407  48  48 PHE HD2  H   6.91 0.01 1 
       408  48  48 PHE HE1  H   6.52 0.01 1 
       409  48  48 PHE HE2  H   6.52 0.01 1 
       410  48  48 PHE HZ   H   7.29 0.01 1 
       411  48  48 PHE C    C 170.0  1.00 1 
       412  48  48 PHE CA   C  53.7  0.90 1 
       413  48  48 PHE CB   C  39.7  0.90 1 
       414  48  48 PHE N    N 133.5  0.20 1 
       415  49  49 LYS H    H   8.41 0.01 1 
       416  49  49 LYS HA   H   5.02 0.01 1 
       417  49  49 LYS HB2  H   1.79 0.01 1 
       418  49  49 LYS HB3  H   1.79 0.01 1 
       419  49  49 LYS HG2  H   1.23 0.01 1 
       420  49  49 LYS HG3  H   1.23 0.01 1 
       421  49  49 LYS HD2  H   1.50 0.01 1 
       422  49  49 LYS HD3  H   1.50 0.01 1 
       423  49  49 LYS C    C 171.7  1.00 1 
       424  49  49 LYS CA   C  51.8  0.90 1 
       425  49  49 LYS CB   C  33.5  0.90 1 
       426  49  49 LYS N    N 127.5  0.20 1 
       427  50  50 VAL H    H   8.94 0.01 1 
       428  50  50 VAL HA   H   4.85 0.01 1 
       429  50  50 VAL HB   H   1.84 0.01 1 
       430  50  50 VAL HG1  H   0.89 0.01 2 
       431  50  50 VAL HG2  H   0.89 0.01 2 
       432  50  50 VAL C    C 170.7  1.00 1 
       433  50  50 VAL CA   C  57.3  0.90 1 
       434  50  50 VAL CB   C  31.5  0.90 1 
       435  50  50 VAL N    N 124.4  0.20 1 
       436  51  51 SER H    H   8.69 0.01 1 
       437  51  51 SER HA   H   4.81 0.01 1 
       438  51  51 SER HB2  H   3.84 0.01 1 
       439  51  51 SER HB3  H   3.84 0.01 1 
       440  51  51 SER C    C 171.2  1.00 1 
       441  51  51 SER CA   C  54.0  0.90 1 
       442  51  51 SER CB   C  64.7  0.90 1 
       443  51  51 SER N    N 121.9  0.20 1 
       444  52  52 ALA H    H   8.94 0.01 1 
       445  52  52 ALA HA   H   4.67 0.01 1 
       446  52  52 ALA HB   H   1.40 0.01 1 
       447  52  52 ALA C    C 175.3  1.00 1 
       448  52  52 ALA CA   C  51.8  0.90 1 
       449  52  52 ALA CB   C  15.5  0.90 1 
       450  52  52 ALA N    N 120.4  0.20 1 
       451  53  53 GLN H    H   7.90 0.01 1 
       452  53  53 GLN HA   H   4.28 0.01 1 
       453  53  53 GLN HB2  H   1.75 0.01 1 
       454  53  53 GLN HB3  H   1.75 0.01 1 
       455  53  53 GLN HG2  H   2.29 0.01 2 
       456  53  53 GLN HG3  H   2.11 0.01 2 
       457  53  53 GLN C    C 174.8  1.00 1 
       458  53  53 GLN CA   C  54.3  0.90 1 
       459  53  53 GLN CB   C  26.7  0.90 1 
       460  53  53 GLN N    N 112.0  0.20 1 
       461  54  54 GLY H    H   7.80 0.01 1 
       462  54  54 GLY HA2  H   4.67 0.01 1 
       463  54  54 GLY HA3  H   4.67 0.01 1 
       464  54  54 GLY C    C 171.9  1.00 1 
       465  54  54 GLY CA   C  42.0  0.90 1 
       466  54  54 GLY N    N 107.1  0.20 1 
       467  55  55 ILE H    H   8.08 0.01 1 
       468  55  55 ILE HA   H   4.70 0.01 1 
       469  55  55 ILE HB   H   1.81 0.01 1 
       470  55  55 ILE HG12 H   1.13 0.01 1 
       471  55  55 ILE HG13 H   1.13 0.01 1 
       472  55  55 ILE HG2  H  -0.22 0.01 1 
       473  55  55 ILE HD1  H  -0.26 0.01 1 
       474  55  55 ILE C    C 172.0  1.00 1 
       475  55  55 ILE CA   C  57.1  0.90 1 
       476  55  55 ILE CB   C  37.9  0.90 1 
       477  55  55 ILE N    N 121.8  0.20 1 
       478  56  56 THR H    H   9.26 0.01 1 
       479  56  56 THR HA   H   5.08 0.01 1 
       480  56  56 THR HB   H   3.68 0.01 1 
       481  56  56 THR HG2  H   0.96 0.01 1 
       482  56  56 THR C    C 170.7  1.00 1 
       483  56  56 THR CA   C  58.8  0.90 1 
       484  56  56 THR CB   C  68.1  0.90 1 
       485  56  56 THR N    N 123.8  0.20 1 
       486  57  57 LEU H    H   9.40 0.01 1 
       487  57  57 LEU HA   H   5.57 0.01 1 
       488  57  57 LEU HB2  H   1.65 0.01 1 
       489  57  57 LEU HB3  H   1.65 0.01 1 
       490  57  57 LEU HG   H   1.58 0.01 1 
       491  57  57 LEU HD1  H   0.50 0.01 2 
       492  57  57 LEU HD2  H   0.93 0.01 2 
       493  57  57 LEU C    C 173.8  1.00 1 
       494  57  57 LEU CA   C  49.5  0.90 1 
       495  57  57 LEU CB   C  42.2  0.90 1 
       496  57  57 LEU N    N 127.4  0.20 1 
       497  58  58 THR H    H   9.02 0.01 1 
       498  58  58 THR HA   H   5.17 0.01 1 
       499  58  58 THR HB   H   4.04 0.01 1 
       500  58  58 THR HG2  H   0.95 0.01 1 
       501  58  58 THR C    C 170.8  1.00 1 
       502  58  58 THR CA   C  58.8  0.90 1 
       503  58  58 THR CB   C  68.4  0.90 1 
       504  58  58 THR N    N 118.0  0.20 1 
       505  59  59 ASP H    H   8.69 0.01 1 
       506  59  59 ASP HA   H   4.66 0.01 1 
       507  59  59 ASP HB2  H   2.94 0.01 1 
       508  59  59 ASP HB3  H   2.94 0.01 1 
       509  59  59 ASP C    C 174.5  1.00 1 
       510  59  59 ASP CA   C  49.9  0.90 1 
       511  59  59 ASP CB   C  37.5  0.90 1 
       512  59  59 ASP N    N 126.9  0.20 1 
       513  60  60 ASN H    H   8.72 0.01 1 
       514  60  60 ASN HA   H   5.53 0.01 1 
       515  60  60 ASN HB2  H   2.70 0.01 1 
       516  60  60 ASN HB3  H   2.70 0.01 1 
       517  60  60 ASN C    C 174.2  1.00 1 
       518  60  60 ASN CA   C  53.4  0.90 1 
       519  60  60 ASN CB   C  35.8  0.90 1 
       520  60  60 ASN N    N 124.2  0.20 1 
       521  61  61 GLN H    H   8.38 0.01 1 
       522  61  61 GLN HA   H   4.26 0.01 1 
       523  61  61 GLN HB2  H   2.09 0.01 1 
       524  61  61 GLN HB3  H   2.09 0.01 1 
       525  61  61 GLN HG2  H   2.31 0.01 1 
       526  61  61 GLN HG3  H   2.31 0.01 1 
       527  61  61 GLN HE21 H   7.62 0.01 2 
       528  61  61 GLN HE22 H   6.79 0.01 2 
       529  61  61 GLN C    C 172.7  1.00 1 
       530  61  61 GLN CA   C  53.5  0.90 1 
       531  61  61 GLN CB   C  26.6  0.90 1 
       532  61  61 GLN N    N 116.2  0.20 1 
       533  61  61 GLN NE2  N 112.2  0.20 1 
       534  62  62 ARG H    H   7.86 0.01 1 
       535  62  62 ARG HA   H   4.04 0.01 1 
       536  62  62 ARG HB2  H   1.67 0.01 1 
       537  62  62 ARG HB3  H   1.67 0.01 1 
       538  62  62 ARG HG2  H   1.48 0.01 1 
       539  62  62 ARG HG3  H   1.48 0.01 1 
       540  62  62 ARG HD2  H   2.95 0.01 2 
       541  62  62 ARG C    C 173.3  1.00 1 
       542  62  62 ARG CA   C  53.5  0.90 1 
       543  62  62 ARG CB   C  24.6  0.90 1 
       544  62  62 ARG N    N 117.7  0.20 1 
       545  63  63 LYS H    H   8.03 0.01 1 
       546  63  63 LYS HA   H   3.99 0.01 1 
       547  63  63 LYS HB2  H   1.72 0.01 1 
       548  63  63 LYS HB3  H   1.72 0.01 1 
       549  63  63 LYS HG2  H   1.36 0.01 1 
       550  63  63 LYS HG3  H   1.36 0.01 1 
       551  63  63 LYS CA   C  56.4  0.90 1 
       552  63  63 LYS CB   C  30.1  0.90 1 
       553  63  63 LYS N    N 119.9  0.20 1 
       554  66  66 PHE HB2  H   3.08 0.01 1 
       555  66  66 PHE HB3  H   3.08 0.01 1 
       556  66  66 PHE C    C 176.1  1.00 1 
       557  67  67 ARG H    H   7.76 0.01 1 
       558  67  67 ARG HA   H   5.45 0.01 1 
       559  67  67 ARG C    C 173.0  1.00 1 
       560  67  67 ARG CA   C  51.9  0.90 1 
       561  67  67 ARG CB   C  30.9  0.90 1 
       562  67  67 ARG N    N 118.6  0.20 1 
       563  68  68 ARG H    H   8.86 0.01 1 
       564  68  68 ARG HA   H   4.28 0.01 1 
       565  68  68 ARG HB2  H   1.87 0.01 1 
       566  68  68 ARG HB3  H   1.87 0.01 1 
       567  68  68 ARG C    C 170.5  1.00 1 
       568  68  68 ARG CA   C  52.2  0.90 1 
       569  68  68 ARG CB   C  32.2  0.90 1 
       570  68  68 ARG N    N 124.6  0.20 1 
       571  69  69 HIS H    H   8.22 0.01 1 
       572  69  69 HIS HA   H   5.16 0.01 1 
       573  69  69 HIS HB2  H   2.69 0.01 2 
       574  69  69 HIS HB3  H   2.57 0.01 2 
       575  69  69 HIS HD2  H   6.59 0.01 1 
       576  69  69 HIS C    C 170.3  1.00 1 
       577  69  69 HIS CA   C  52.4  0.90 1 
       578  69  69 HIS CB   C  30.5  0.90 1 
       579  69  69 HIS N    N 121.7  0.20 1 
       580  70  70 TYR H    H   8.52 0.01 1 
       581  70  70 TYR HA   H   4.41 0.01 1 
       582  70  70 TYR HB2  H   2.40 0.01 1 
       583  70  70 TYR HB3  H   2.40 0.01 1 
       584  70  70 TYR HD1  H   6.87 0.01 1 
       585  70  70 TYR HD2  H   6.87 0.01 1 
       586  70  70 TYR HE1  H   6.30 0.01 1 
       587  70  70 TYR HE2  H   6.30 0.01 1 
       588  70  70 TYR CA   C  51.3  0.90 1 
       589  70  70 TYR CB   C  35.9  0.90 1 
       590  70  70 TYR N    N 126.1  0.20 1 
       591  71  71 PRO HA   H   4.48 0.01 1 
       592  71  71 PRO HB2  H   2.15 0.01 1 
       593  71  71 PRO HB3  H   2.15 0.01 1 
       594  71  71 PRO HG2  H   1.96 0.01 1 
       595  71  71 PRO HG3  H   1.96 0.01 1 
       596  71  71 PRO HD2  H   3.56 0.01 1 
       597  71  71 PRO HD3  H   3.56 0.01 1 
       598  71  71 PRO C    C 176.6  1.00 1 
       599  71  71 PRO CA   C  60.6  0.90 1 
       600  71  71 PRO CB   C  29.6  0.90 1 
       601  72  72 LEU H    H   8.37 0.01 1 
       602  72  72 LEU HA   H   4.67 0.01 1 
       603  72  72 LEU HB2  H   1.68 0.01 1 
       604  72  72 LEU HB3  H   1.68 0.01 1 
       605  72  72 LEU HG   H   1.65 0.01 1 
       606  72  72 LEU HD1  H   0.72 0.01 2 
       607  72  72 LEU HD2  H   1.13 0.01 2 
       608  72  72 LEU C    C 175.2  1.00 1 
       609  72  72 LEU CA   C  55.6  0.90 1 
       610  72  72 LEU CB   C  38.6  0.90 1 
       611  72  72 LEU N    N 127.0  0.20 1 
       612  73  73 ASN H    H   8.53 0.01 1 
       613  73  73 ASN HA   H   4.69 0.01 1 
       614  73  73 ASN HB2  H   2.75 0.01 2 
       615  73  73 ASN HB3  H   2.97 0.01 2 
       616  73  73 ASN HD21 H   7.52 0.01 2 
       617  73  73 ASN HD22 H   6.63 0.01 2 
       618  73  73 ASN C    C 173.4  1.00 1 
       619  73  73 ASN CA   C  52.4  0.90 1 
       620  73  73 ASN CB   C  34.2  0.90 1 
       621  73  73 ASN N    N 112.8  0.20 1 
       622  73  73 ASN ND2  N 111.0  0.20 1 
       623  74  74 THR H    H   8.14 0.01 1 
       624  74  74 THR HA   H   4.49 0.01 1 
       625  74  74 THR HB   H   3.73 0.01 1 
       626  74  74 THR HG2  H   1.25 0.01 1 
       627  74  74 THR C    C 171.1  1.00 1 
       628  74  74 THR CA   C  59.2  0.90 1 
       629  74  74 THR CB   C  68.2  0.90 1 
       630  74  74 THR N    N 109.1  0.20 1 
       631  75  75 VAL H    H   7.63 0.01 1 
       632  75  75 VAL HA   H   4.48 0.01 1 
       633  75  75 VAL HB   H   2.19 0.01 1 
       634  75  75 VAL HG1  H   0.72 0.01 2 
       635  75  75 VAL HG2  H   0.72 0.01 2 
       636  75  75 VAL C    C 173.3  1.00 1 
       637  75  75 VAL CA   C  60.0  0.90 1 
       638  75  75 VAL CB   C  29.2  0.90 1 
       639  75  75 VAL N    N 125.3  0.20 1 
       640  76  76 THR H    H   8.69 0.01 1 
       641  76  76 THR HA   H   4.53 0.01 1 
       642  76  76 THR HB   H   4.23 0.01 1 
       643  76  76 THR HG2  H   1.09 0.01 1 
       644  76  76 THR C    C 173.3  1.00 1 
       645  76  76 THR CA   C  59.0  0.90 1 
       646  76  76 THR CB   C  67.4  0.90 1 
       647  76  76 THR N    N 114.6  0.20 1 
       648  77  77 PHE H    H   7.41 0.01 1 
       649  77  77 PHE HA   H   4.54 0.01 1 
       650  77  77 PHE HB2  H   2.66 0.01 1 
       651  77  77 PHE HB3  H   2.66 0.01 1 
       652  77  77 PHE HD1  H   7.09 0.01 1 
       653  77  77 PHE HD2  H   7.09 0.01 1 
       654  77  77 PHE HE1  H   7.30 0.01 1 
       655  77  77 PHE HE2  H   7.30 0.01 1 
       656  77  77 PHE HZ   H   7.47 0.01 1 
       657  77  77 PHE C    C 170.8  1.00 1 
       658  77  77 PHE CA   C  56.8  0.90 1 
       659  77  77 PHE CB   C  40.6  0.90 1 
       660  77  77 PHE N    N 120.2  0.20 1 
       661  78  78 CYS H    H   8.07 0.01 1 
       662  78  78 CYS HA   H   5.07 0.01 1 
       663  78  78 CYS HB2  H   2.66 0.01 1 
       664  78  78 CYS HB3  H   2.66 0.01 1 
       665  78  78 CYS C    C 170.0  1.00 1 
       666  78  78 CYS CA   C  55.1  0.90 1 
       667  78  78 CYS CB   C  25.6  0.90 1 
       668  78  78 CYS N    N 128.2  0.20 1 
       669  79  79 ASP H    H   8.49 0.01 1 
       670  79  79 ASP HA   H   4.68 0.01 1 
       671  79  79 ASP HB2  H   2.74 0.01 1 
       672  79  79 ASP HB3  H   2.74 0.01 1 
       673  79  79 ASP C    C 173.0  1.00 1 
       674  79  79 ASP CA   C  50.7  0.90 1 
       675  79  79 ASP CB   C  42.2  0.90 1 
       676  79  79 ASP N    N 124.2  0.20 1 
       677  80  80 LEU H    H   9.65 0.01 1 
       678  80  80 LEU HA   H   4.37 0.01 1 
       679  80  80 LEU HB2  H   1.70 0.01 1 
       680  80  80 LEU HB3  H   1.70 0.01 1 
       681  80  80 LEU HG   H   1.52 0.01 1 
       682  80  80 LEU HD1  H   0.79 0.01 2 
       683  80  80 LEU HD2  H   0.62 0.01 2 
       684  80  80 LEU C    C 174.2  1.00 1 
       685  80  80 LEU CA   C  52.4  0.90 1 
       686  80  80 LEU CB   C  40.9  0.90 1 
       687  80  80 LEU N    N 119.2  0.20 1 
       688  81  81 ASP H    H   7.21 0.01 1 
       689  81  81 ASP HA   H   4.97 0.01 1 
       690  81  81 ASP HB2  H   2.80 0.01 1 
       691  81  81 ASP HB3  H   2.80 0.01 1 
       692  81  81 ASP CA   C  49.7  0.90 1 
       693  81  81 ASP CB   C  40.5  0.90 1 
       694  81  81 ASP N    N 118.0  0.20 1 
       695  82  82 PRO C    C 174.9  1.00 1 
       696  82  82 PRO CA   C  62.2  0.90 1 
       697  82  82 PRO CB   C  29.6  0.90 1 
       698  83  83 GLN H    H   7.19 0.01 1 
       699  83  83 GLN HA   H   4.33 0.01 1 
       700  83  83 GLN HB2  H   1.84 0.01 1 
       701  83  83 GLN HB3  H   1.84 0.01 1 
       702  83  83 GLN HG2  H   2.25 0.01 1 
       703  83  83 GLN HG3  H   2.25 0.01 1 
       704  83  83 GLN HE21 H   7.30 0.01 2 
       705  83  83 GLN HE22 H   6.66 0.01 2 
       706  83  83 GLN C    C 172.3  1.00 1 
       707  83  83 GLN CA   C  52.8  0.90 1 
       708  83  83 GLN CB   C  25.9  0.90 1 
       709  83  83 GLN N    N 113.4  0.20 1 
       710  83  83 GLN NE2  N 111.0  0.20 1 
       711  84  84 GLU H    H   8.01 0.01 1 
       712  84  84 GLU HA   H   4.17 0.01 1 
       713  84  84 GLU HB2  H   2.08 0.01 1 
       714  84  84 GLU HB3  H   2.08 0.01 1 
       715  84  84 GLU HG2  H   2.36 0.01 1 
       716  84  84 GLU HG3  H   2.36 0.01 1 
       717  84  84 GLU C    C 173.2  1.00 1 
       718  84  84 GLU CA   C  54.8  0.90 1 
       719  84  84 GLU CB   C  24.7  0.90 1 
       720  84  84 GLU N    N 115.1  0.20 1 
       721  85  85 ARG H    H   9.08 0.01 1 
       722  85  85 ARG HA   H   4.22 0.01 1 
       723  85  85 ARG HB2  H   1.89 0.01 2 
       724  85  85 ARG HB3  H   1.74 0.01 2 
       725  85  85 ARG HG2  H   1.42 0.01 1 
       726  85  85 ARG HG3  H   1.42 0.01 1 
       727  85  85 ARG HD2  H   3.11 0.01 1 
       728  85  85 ARG HD3  H   3.11 0.01 1 
       729  85  85 ARG C    C 173.7  1.00 1 
       730  85  85 ARG CA   C  54.5  0.90 1 
       731  85  85 ARG CB   C  27.8  0.90 1 
       732  85  85 ARG N    N 118.4  0.20 1 
       733  86  86 LYS H    H   8.29 0.01 1 
       734  86  86 LYS HA   H   4.90 0.01 1 
       735  86  86 LYS HB2  H   1.86 0.01 1 
       736  86  86 LYS HB3  H   1.86 0.01 1 
       737  86  86 LYS HG2  H   1.53 0.01 1 
       738  86  86 LYS HG3  H   1.53 0.01 1 
       739  86  86 LYS HD2  H   1.59 0.01 1 
       740  86  86 LYS HD3  H   1.59 0.01 1 
       741  86  86 LYS HE2  H   3.12 0.01 1 
       742  86  86 LYS HE3  H   3.12 0.01 1 
       743  86  86 LYS C    C 172.5  1.00 1 
       744  86  86 LYS CA   C  51.9  0.90 1 
       745  86  86 LYS CB   C  33.2  0.90 1 
       746  86  86 LYS N    N 117.3  0.20 1 
       747  87  87 TRP H    H   9.49 0.01 1 
       748  87  87 TRP HA   H   4.68 0.01 1 
       749  87  87 TRP HB2  H   3.01 0.01 2 
       750  87  87 TRP HB3  H   2.97 0.01 2 
       751  87  87 TRP HD1  H   6.63 0.01 1 
       752  87  87 TRP HE1  H  10.25 0.01 1 
       753  87  87 TRP HZ2  H   7.38 0.01 1 
       754  87  87 TRP CA   C  52.7  0.90 1 
       755  87  87 TRP CB   C  29.3  0.90 1 
       756  87  87 TRP N    N 122.7  0.20 1 
       757  87  87 TRP NE1  N 129.6  0.20 1 
       758  88  88 THR C    C 173.6  1.00 1 
       759  89  89 LYS H    H   7.73 0.01 1 
       760  89  89 LYS HA   H   3.89 0.01 1 
       761  89  89 LYS HB2  H   1.72 0.01 1 
       762  89  89 LYS HB3  H   1.72 0.01 1 
       763  89  89 LYS HG2  H   1.47 0.01 1 
       764  89  89 LYS HG3  H   1.47 0.01 1 
       765  89  89 LYS HE2  H   2.99 0.01 1 
       766  89  89 LYS HE3  H   2.99 0.01 1 
       767  89  89 LYS CA   C  56.4  0.90 1 
       768  89  89 LYS CB   C  27.3  0.90 1 
       769  89  89 LYS N    N 120.1  0.20 1 
       770  90  90 THR HA   H   4.48 0.01 1 
       771  90  90 THR HB   H   4.16 0.01 1 
       772  90  90 THR C    C 171.9  1.00 1 
       773  91  91 ASP H    H   8.08 0.01 1 
       774  91  91 ASP HA   H   4.70 0.01 1 
       775  91  91 ASP HB2  H   2.62 0.01 1 
       776  91  91 ASP HB3  H   2.62 0.01 1 
       777  91  91 ASP C    C 174.6  1.00 1 
       778  91  91 ASP CA   C  51.4  0.90 1 
       779  91  91 ASP CB   C  37.9  0.90 1 
       780  91  91 ASP N    N 121.7  0.20 1 
       781  92  92 GLY H    H   8.05 0.01 1 
       782  92  92 GLY HA2  H   3.75 0.01 1 
       783  92  92 GLY HA3  H   3.75 0.01 1 
       784  92  92 GLY C    C 172.4  1.00 1 
       785  92  92 GLY CA   C  42.9  0.90 1 
       786  92  92 GLY N    N 108.6  0.20 1 
       787  93  93 SER H    H   7.91 0.01 1 
       788  93  93 SER HA   H   4.36 0.01 1 
       789  93  93 SER HB2  H   3.96 0.01 1 
       790  93  93 SER HB3  H   3.96 0.01 1 
       791  93  93 SER C    C 172.2  1.00 1 
       792  93  93 SER CA   C  56.4  0.90 1 
       793  93  93 SER CB   C  61.4  0.90 1 
       794  93  93 SER N    N 114.8  0.20 1 
       795  94  94 GLY H    H   8.48 0.01 1 
       796  94  94 GLY HA2  H   4.67 0.01 2 
       797  94  94 GLY HA3  H   4.21 0.01 2 
       798  94  94 GLY CA   C  42.2  0.90 1 
       799  94  94 GLY N    N 111.2  0.20 1 
       800  95  95 PRO HA   H   4.66 0.01 1 
       801  95  95 PRO HB2  H   2.23 0.01 1 
       802  95  95 PRO HB3  H   2.23 0.01 1 
       803  95  95 PRO HG2  H   1.99 0.01 1 
       804  95  95 PRO HG3  H   1.99 0.01 1 
       805  95  95 PRO HD2  H   3.56 0.01 1 
       806  95  95 PRO HD3  H   3.56 0.01 1 
       807  95  95 PRO C    C 174.4  1.00 1 
       808  95  95 PRO CA   C  60.2  0.90 1 
       809  95  95 PRO CB   C  30.0  0.90 1 
       810  96  96 ALA H    H   8.81 0.01 1 
       811  96  96 ALA HA   H   4.90 0.01 1 
       812  96  96 ALA HB   H   1.66 0.01 1 
       813  96  96 ALA C    C 174.3  1.00 1 
       814  96  96 ALA CA   C  48.2  0.90 1 
       815  96  96 ALA CB   C  20.9  0.90 1 
       816  96  96 ALA N    N 126.3  0.20 1 
       817  97  97 LYS H    H   8.82 0.01 1 
       818  97  97 LYS HA   H   4.04 0.01 1 
       819  97  97 LYS HB2  H   1.77 0.01 1 
       820  97  97 LYS HB3  H   1.77 0.01 1 
       821  97  97 LYS HG2  H   1.40 0.01 1 
       822  97  97 LYS HG3  H   1.40 0.01 1 
       823  97  97 LYS HD2  H   1.63 0.01 1 
       824  97  97 LYS HD3  H   1.63 0.01 1 
       825  97  97 LYS HE2  H   2.94 0.01 1 
       826  97  97 LYS HE3  H   2.94 0.01 1 
       827  97  97 LYS C    C 173.4  1.00 1 
       828  97  97 LYS CA   C  56.6  0.90 1 
       829  97  97 LYS CB   C  30.8  0.90 1 
       830  97  97 LYS N    N 123.0  0.20 1 
       831  98  98 LEU H    H   7.49 0.01 1 
       832  98  98 LEU HA   H   5.28 0.01 1 
       833  98  98 LEU HB2  H   1.79 0.01 1 
       834  98  98 LEU HB3  H   1.79 0.01 1 
       835  98  98 LEU HG   H   1.62 0.01 1 
       836  98  98 LEU HD1  H   1.18 0.01 2 
       837  98  98 LEU HD2  H   0.76 0.01 2 
       838  98  98 LEU C    C 174.7  1.00 1 
       839  98  98 LEU CA   C  51.6  0.90 1 
       840  98  98 LEU CB   C  43.1  0.90 1 
       841  98  98 LEU N    N 121.1  0.20 1 
       842  99  99 PHE H    H   9.15 0.01 1 
       843  99  99 PHE HA   H   4.92 0.01 1 
       844  99  99 PHE HB2  H   2.82 0.01 1 
       845  99  99 PHE HB3  H   2.82 0.01 1 
       846  99  99 PHE HD1  H   7.22 0.01 1 
       847  99  99 PHE HD2  H   7.24 0.01 1 
       848  99  99 PHE HE1  H   6.40 0.01 1 
       849  99  99 PHE HE2  H   6.40 0.01 1 
       850  99  99 PHE HZ   H   6.16 0.01 1 
       851  99  99 PHE C    C 170.0  1.00 1 
       852  99  99 PHE CA   C  53.0  0.90 1 
       853  99  99 PHE CB   C  40.0  0.90 1 
       854  99  99 PHE N    N 117.9  0.20 1 
       855 100 100 GLY H    H   8.83 0.01 1 
       856 100 100 GLY HA2  H   3.94 0.01 2 
       857 100 100 GLY HA3  H   5.11 0.01 2 
       858 100 100 GLY C    C 169.3  1.00 1 
       859 100 100 GLY CA   C  43.9  0.90 1 
       860 100 100 GLY N    N 104.4  0.20 1 
       861 101 101 PHE HA   H   5.73 0.01 1 
       862 101 101 PHE HB2  H   3.36 0.01 2 
       863 101 101 PHE HB3  H   3.08 0.01 2 
       864 101 101 PHE HD1  H   6.92 0.01 1 
       865 101 101 PHE HD2  H   6.92 0.01 1 
       866 101 101 PHE HE1  H   6.62 0.01 1 
       867 101 101 PHE HE2  H   6.62 0.01 1 
       868 101 101 PHE HZ   H   6.56 0.01 1 
       869 101 101 PHE C    C 171.1  1.00 1 
       870 101 101 PHE CA   C  53.3  0.90 1 
       871 101 101 PHE CB   C  39.8  0.90 1 
       872 101 101 PHE N    N 112.4  0.20 1 
       873 102 102 VAL H    H   9.05 0.01 1 
       874 102 102 VAL HA   H   4.67 0.01 1 
       875 102 102 VAL HB   H   2.14 0.01 1 
       876 102 102 VAL HG1  H   0.88 0.01 2 
       877 102 102 VAL HG2  H   0.88 0.01 2 
       878 102 102 VAL C    C 171.7  1.00 1 
       879 102 102 VAL CA   C  58.2  0.90 1 
       880 102 102 VAL CB   C  30.2  0.90 1 
       881 102 102 VAL N    N 122.7  0.20 1 
       882 103 103 ALA H    H   9.09 0.01 1 
       883 103 103 ALA HA   H   5.73 0.01 1 
       884 103 103 ALA HB   H   1.52 0.01 1 
       885 103 103 ALA C    C 174.2  1.00 1 
       886 103 103 ALA CA   C  50.0  0.90 1 
       887 103 103 ALA CB   C  20.5  0.90 1 
       888 103 103 ALA N    N 128.7  0.20 1 
       889 104 104 ARG H    H   8.71 0.01 1 
       890 104 104 ARG HA   H   5.30 0.01 1 
       891 104 104 ARG HB2  H   1.94 0.01 2 
       892 104 104 ARG HB3  H   1.74 0.01 2 
       893 104 104 ARG HG2  H   1.47 0.01 1 
       894 104 104 ARG HG3  H   1.47 0.01 1 
       895 104 104 ARG HD2  H   3.24 0.01 2 
       896 104 104 ARG HD3  H   2.89 0.01 2 
       897 104 104 ARG C    C 174.6  1.00 1 
       898 104 104 ARG CA   C  53.2  0.90 1 
       899 104 104 ARG CB   C  28.1  0.90 1 
       900 104 104 ARG N    N 122.0  0.20 1 
       901 105 105 LYS H    H   8.78 0.01 1 
       902 105 105 LYS HA   H   4.68 0.01 1 
       903 105 105 LYS HB2  H   1.95 0.01 1 
       904 105 105 LYS HB3  H   1.95 0.01 1 
       905 105 105 LYS HG2  H   1.37 0.01 1 
       906 105 105 LYS HG3  H   1.37 0.01 1 
       907 105 105 LYS HD2  H   1.67 0.01 1 
       908 105 105 LYS HD3  H   1.67 0.01 1 
       909 105 105 LYS C    C 173.6  1.00 1 
       910 105 105 LYS CA   C  53.9  0.90 1 
       911 105 105 LYS CB   C  31.0  0.90 1 
       912 105 105 LYS N    N 126.0  0.20 1 
       913 106 106 GLN H    H   8.57 0.01 1 
       914 106 106 GLN HA   H   4.12 0.01 1 
       915 106 106 GLN HB2  H   2.35 0.01 1 
       916 106 106 GLN HB3  H   2.35 0.01 1 
       917 106 106 GLN HG2  H   2.01 0.01 1 
       918 106 106 GLN HG3  H   2.01 0.01 1 
       919 106 106 GLN HE21 H   7.44 0.01 2 
       920 106 106 GLN HE22 H   6.78 0.01 2 
       921 106 106 GLN CA   C  55.2  0.90 1 
       922 106 106 GLN CB   C  25.7  0.90 1 
       923 106 106 GLN N    N 125.4  0.20 1 
       924 106 106 GLN NE2  N 111.5  0.20 1 
       925 107 107 GLY C    C 174.9  1.00 1 
       926 108 108 SER H    H   8.07 0.01 1 
       927 108 108 SER HA   H   4.68 0.01 1 
       928 108 108 SER HB2  H   3.89 0.01 1 
       929 108 108 SER HB3  H   3.89 0.01 1 
       930 108 108 SER CA   C  53.9  0.90 1 
       931 108 108 SER CB   C  62.4  0.90 1 
       932 108 108 SER N    N 114.1  0.20 1 
       933 109 109 THR C    C 172.4  1.00 1 
       934 110 110 THR H    H   8.03 0.01 1 
       935 110 110 THR HA   H   4.37 0.01 1 
       936 110 110 THR HB   H   4.17 0.01 1 
       937 110 110 THR HG2  H   1.03 0.01 1 
       938 110 110 THR C    C 171.1  1.00 1 
       939 110 110 THR CA   C  59.2  0.90 1 
       940 110 110 THR CB   C  68.0  0.90 1 
       941 110 110 THR N    N 110.3  0.20 1 
       942 111 111 ASP H    H   7.89 0.01 1 
       943 111 111 ASP HA   H   4.68 0.01 1 
       944 111 111 ASP HB2  H   2.62 0.01 2 
       945 111 111 ASP HB3  H   2.38 0.01 2 
       946 111 111 ASP C    C 172.1  1.00 1 
       947 111 111 ASP CA   C  51.5  0.90 1 
       948 111 111 ASP CB   C  39.4  0.90 1 
       949 111 111 ASP N    N 122.4  0.20 1 
       950 112 112 ASN H    H   8.95 0.01 1 
       951 112 112 ASN HA   H   5.31 0.01 1 
       952 112 112 ASN HB2  H   2.13 0.01 2 
       953 112 112 ASN HB3  H   2.54 0.01 2 
       954 112 112 ASN HD21 H   6.48 0.01 2 
       955 112 112 ASN HD22 H   6.71 0.01 2 
       956 112 112 ASN C    C 172.3  1.00 1 
       957 112 112 ASN CA   C  49.4  0.90 1 
       958 112 112 ASN CB   C  39.3  0.90 1 
       959 112 112 ASN N    N 118.4  0.20 1 
       960 112 112 ASN ND2  N 111.2  0.20 1 
       961 113 113 VAL H    H   9.07 0.01 1 
       962 113 113 VAL HA   H   4.16 0.01 1 
       963 113 113 VAL HB   H   1.57 0.01 1 
       964 113 113 VAL HG1  H   0.74 0.01 2 
       965 113 113 VAL HG2  H   0.20 0.01 2 
       966 113 113 VAL C    C 170.6  1.00 1 
       967 113 113 VAL CA   C  58.3  0.90 1 
       968 113 113 VAL CB   C  32.6  0.90 1 
       969 113 113 VAL N    N 121.3  0.20 1 
       970 114 114 CYS H    H   8.68 0.01 1 
       971 114 114 CYS HA   H   4.80 0.01 1 
       972 114 114 CYS HB2  H   2.37 0.01 2 
       973 114 114 CYS HB3  H   2.16 0.01 2 
       974 114 114 CYS C    C 169.3  1.00 1 
       975 114 114 CYS CA   C  53.4  0.90 1 
       976 114 114 CYS CB   C  26.4  0.90 1 
       977 114 114 CYS N    N 124.9  0.20 1 
       978 115 115 HIS H    H   8.58 0.01 1 
       979 115 115 HIS HA   H   4.59 0.01 1 
       980 115 115 HIS HB2  H   2.85 0.01 1 
       981 115 115 HIS HB3  H   2.85 0.01 1 
       982 115 115 HIS HD2  H   6.68 0.01 1 
       983 115 115 HIS HE1  H   7.46 0.01 1 
       984 115 115 HIS C    C 170.0  1.00 1 
       985 115 115 HIS CA   C  52.6  0.90 1 
       986 115 115 HIS CB   C  29.5  0.90 1 
       987 115 115 HIS N    N 131.4  0.20 1 
       988 116 116 LEU H    H   8.51 0.01 1 
       989 116 116 LEU HA   H   4.61 0.01 1 
       990 116 116 LEU HB2  H   1.57 0.01 1 
       991 116 116 LEU HB3  H   1.57 0.01 1 
       992 116 116 LEU HD1  H   0.98 0.01 2 
       993 116 116 LEU HD2  H   0.51 0.01 2 
       994 116 116 LEU C    C 171.3  1.00 1 
       995 116 116 LEU CA   C  50.6  0.90 1 
       996 116 116 LEU CB   C  43.7  0.90 1 
       997 116 116 LEU N    N 123.3  0.20 1 
       998 117 117 PHE H    H   8.67 0.01 1 
       999 117 117 PHE HA   H   4.98 0.01 1 
      1000 117 117 PHE HB2  H   2.89 0.01 1 
      1001 117 117 PHE HB3  H   2.89 0.01 1 
      1002 117 117 PHE C    C 170.2  1.00 1 
      1003 117 117 PHE CA   C  52.8  0.90 1 
      1004 117 117 PHE CB   C  41.9  0.90 1 
      1005 117 117 PHE N    N 119.9  0.20 1 
      1006 118 118 ALA H    H   9.11 0.01 1 
      1007 118 118 ALA HA   H   5.53 0.01 1 
      1008 118 118 ALA HB   H   1.09 0.01 1 
      1009 118 118 ALA C    C 173.9  1.00 1 
      1010 118 118 ALA CA   C  46.9  0.90 1 
      1011 118 118 ALA CB   C  20.5  0.90 1 
      1012 118 118 ALA N    N 118.5  0.20 1 
      1013 119 119 GLU H    H   7.93 0.01 1 
      1014 119 119 GLU HA   H   4.17 0.01 1 
      1015 119 119 GLU HB2  H   2.14 0.01 1 
      1016 119 119 GLU HB3  H   2.14 0.01 1 
      1017 119 119 GLU HG2  H   2.30 0.01 1 
      1018 119 119 GLU HG3  H   2.30 0.01 1 
      1019 119 119 GLU C    C 171.3  1.00 1 
      1020 119 119 GLU CA   C  54.3  0.90 1 
      1021 119 119 GLU CB   C  29.4  0.90 1 
      1022 119 119 GLU N    N 119.5  0.20 1 
      1023 120 120 LEU H    H   9.09 0.01 1 
      1024 120 120 LEU HA   H   4.41 0.01 1 
      1025 120 120 LEU HB2  H   1.71 0.01 1 
      1026 120 120 LEU HB3  H   1.71 0.01 1 
      1027 120 120 LEU HG   H   1.52 0.01 1 
      1028 120 120 LEU HD1  H   0.80 0.01 2 
      1029 120 120 LEU HD2  H   0.80 0.01 2 
      1030 120 120 LEU C    C 173.9  1.00 1 
      1031 120 120 LEU CA   C  53.2  0.90 1 
      1032 120 120 LEU CB   C  43.5  0.90 1 
      1033 120 120 LEU N    N 123.6  0.20 1 
      1034 121 121 ASP H    H   8.11 0.01 1 
      1035 121 121 ASP HA   H   4.89 0.01 1 
      1036 121 121 ASP HB2  H   2.77 0.01 2 
      1037 121 121 ASP HB3  H   2.60 0.01 2 
      1038 121 121 ASP CA   C  48.7  0.90 1 
      1039 121 121 ASP CB   C  40.6  0.90 1 
      1040 121 121 ASP N    N 120.4  0.20 1 
      1041 122 122 PRO HA   H   4.23 0.01 1 
      1042 122 122 PRO HB2  H   2.28 0.01 2 
      1043 122 122 PRO HB3  H   2.13 0.01 2 
      1044 122 122 PRO HG2  H   1.92 0.01 1 
      1045 122 122 PRO HG3  H   1.92 0.01 1 
      1046 122 122 PRO HD2  H   3.86 0.01 1 
      1047 122 122 PRO HD3  H   3.86 0.01 1 
      1048 122 122 PRO C    C 176.7  1.00 1 
      1049 122 122 PRO CA   C  61.5  0.90 1 
      1050 122 122 PRO CB   C  29.4  0.90 1 
      1051 123 123 ASP H    H   8.53 0.01 1 
      1052 123 123 ASP HA   H   4.62 0.01 1 
      1053 123 123 ASP HB2  H   2.63 0.01 1 
      1054 123 123 ASP HB3  H   2.63 0.01 1 
      1055 123 123 ASP C    C 173.4  1.00 1 
      1056 123 123 ASP CA   C  52.0  0.90 1 
      1057 123 123 ASP CB   C  38.1  0.90 1 
      1058 123 123 ASP N    N 116.2  0.20 1 
      1059 124 124 GLN H    H   7.80 0.01 1 
      1060 124 124 GLN HA   H   4.68 0.01 1 
      1061 124 124 GLN HB2  H   1.94 0.01 1 
      1062 124 124 GLN HB3  H   1.94 0.01 1 
      1063 124 124 GLN HG2  H   2.21 0.01 1 
      1064 124 124 GLN HG3  H   2.21 0.01 1 
      1065 124 124 GLN CA   C  50.6  0.90 1 
      1066 124 124 GLN CB   C  27.1  0.90 1 
      1067 124 124 GLN N    N 120.3  0.20 1 
      1068 124 124 GLN HE21 H   7.60 0.01 2 
      1069 124 124 GLN HE22 H   6.64 0.01 2 
      1070 124 124 GLN NE2  N 110.7  0.20 1 
      1071 125 125 PRO HA   H   4.32 0.01 1 
      1072 125 125 PRO HB2  H   2.25 0.01 1 
      1073 125 125 PRO HB3  H   2.25 0.01 1 
      1074 125 125 PRO HG2  H   1.98 0.01 1 
      1075 125 125 PRO HG3  H   1.98 0.01 1 
      1076 125 125 PRO HD2  H   3.33 0.01 2 
      1077 125 125 PRO HD3  H   3.13 0.01 2 
      1078 125 125 PRO C    C 175.6  1.00 1 
      1079 125 125 PRO CA   C  60.0  0.90 1 
      1080 125 125 PRO CB   C  30.0  0.90 1 
      1081 126 126 ALA H    H  10.07 0.01 1 
      1082 126 126 ALA HA   H   4.37 0.01 1 
      1083 126 126 ALA HB   H   0.88 0.01 1 
      1084 126 126 ALA C    C 175.6  1.00 1 
      1085 126 126 ALA CA   C  52.0  0.90 1 
      1086 126 126 ALA CB   C  16.4  0.90 1 
      1087 126 126 ALA N    N 125.1  0.20 1 
      1088 127 127 ALA H    H   8.81 0.01 1 
      1089 127 127 ALA HA   H   3.63 0.01 1 
      1090 127 127 ALA HB   H   1.24 0.01 1 
      1091 127 127 ALA C    C 176.5  1.00 1 
      1092 127 127 ALA CA   C  52.5  0.90 1 
      1093 127 127 ALA CB   C  15.5  0.90 1 
      1094 127 127 ALA N    N 116.3  0.20 1 
      1095 128 128 ALA H    H   6.82 0.01 1 
      1096 128 128 ALA HA   H   3.95 0.01 1 
      1097 128 128 ALA HB   H   1.28 0.01 1 
      1098 128 128 ALA CA   C  51.6  0.90 1 
      1099 128 128 ALA CB   C  15.5  0.90 1 
      1100 128 128 ALA N    N 117.7  0.20 1 
      1101 129 129 ILE H    H   6.92 0.01 1 
      1102 129 129 ILE HA   H   3.31 0.01 1 
      1103 129 129 ILE HB   H   1.77 0.01 1 
      1104 129 129 ILE HG12 H   1.25 0.01 1 
      1105 129 129 ILE HG13 H   1.25 0.01 1 
      1106 129 129 ILE HG2  H   0.15 0.01 1 
      1107 129 129 ILE HD1  H   0.00 0.01 1 
      1108 129 129 ILE C    C 174.8  1.00 1 
      1109 129 129 ILE CA   C  61.3  0.90 1 
      1110 129 129 ILE CB   C  35.0  0.90 1 
      1111 129 129 ILE N    N 119.9  0.20 1 
      1112 130 130 VAL H    H   7.68 0.01 1 
      1113 130 130 VAL HA   H   3.27 0.01 1 
      1114 130 130 VAL HB   H   1.81 0.01 1 
      1115 130 130 VAL HG1  H   0.74 0.01 2 
      1116 130 130 VAL HG2  H   0.59 0.01 2 
      1117 130 130 VAL C    C 176.1  1.00 1 
      1118 130 130 VAL CA   C  63.3  0.90 1 
      1119 130 130 VAL CB   C  28.8  0.90 1 
      1120 130 130 VAL N    N 117.5  0.20 1 
      1121 131 131 ASN H    H   7.77 0.01 1 
      1122 131 131 ASN HA   H   4.33 0.01 1 
      1123 131 131 ASN HB2  H   2.74 0.01 2 
      1124 131 131 ASN HB3  H   2.63 0.01 2 
      1125 131 131 ASN C    C 174.6  1.00 1 
      1126 131 131 ASN CA   C  53.5  0.90 1 
      1127 131 131 ASN CB   C  35.7  0.90 1 
      1128 131 131 ASN N    N 118.2  0.20 1 
      1129 132 132 PHE H    H   7.83 0.01 1 
      1130 132 132 PHE HA   H   4.12 0.01 1 
      1131 132 132 PHE HB2  H   3.13 0.01 2 
      1132 132 132 PHE HB3  H   2.92 0.01 2 
      1133 132 132 PHE HD1  H   6.89 0.01 1 
      1134 132 132 PHE HD2  H   6.89 0.01 1 
      1135 132 132 PHE HE1  H   6.84 0.01 1 
      1136 132 132 PHE HE2  H   6.84 0.01 1 
      1137 132 132 PHE HZ   H   6.56 0.01 1 
      1138 132 132 PHE C    C 175.2  1.00 1 
      1139 132 132 PHE CA   C  58.9  0.90 1 
      1140 132 132 PHE CB   C  36.0  0.90 1 
      1141 132 132 PHE N    N 121.2  0.20 1 
      1142 133 133 VAL H    H   8.34 0.01 1 
      1143 133 133 VAL HA   H   3.30 0.01 1 
      1144 133 133 VAL HB   H   1.99 0.01 1 
      1145 133 133 VAL HG1  H   0.99 0.01 2 
      1146 133 133 VAL HG2  H   0.71 0.01 2 
      1147 133 133 VAL C    C 174.8  1.00 1 
      1148 133 133 VAL CA   C  64.1  0.90 1 
      1149 133 133 VAL CB   C  28.8  0.90 1 
      1150 133 133 VAL N    N 118.4  0.20 1 
      1151 134 134 SER H    H   8.07 0.01 1 
      1152 134 134 SER HA   H   4.02 0.01 1 
      1153 134 134 SER HB2  H   3.87 0.01 1 
      1154 134 134 SER HB3  H   3.87 0.01 1 
      1155 134 134 SER C    C 173.6  1.00 1 
      1156 134 134 SER CA   C  59.0  0.90 1 
      1157 134 134 SER CB   C  60.0  0.90 1 
      1158 134 134 SER N    N 113.6  0.20 1 
      1159 135 135 ARG H    H   7.73 0.01 1 
      1160 135 135 ARG HA   H   3.92 0.01 1 
      1161 135 135 ARG HB2  H   1.67 0.01 1 
      1162 135 135 ARG HB3  H   1.67 0.01 1 
      1163 135 135 ARG HG2  H   1.48 0.01 1 
      1164 135 135 ARG HG3  H   1.48 0.01 1 
      1165 135 135 ARG HD2  H   3.28 0.01 1 
      1166 135 135 ARG HD3  H   3.28 0.01 1 
      1167 135 135 ARG C    C 176.7  1.00 1 
      1168 135 135 ARG CA   C  56.6  0.90 1 
      1169 135 135 ARG CB   C  27.2  0.90 1 
      1170 135 135 ARG N    N 119.8  0.20 1 
      1171 136 136 VAL H    H   7.65 0.01 1 
      1172 136 136 VAL HA   H   3.80 0.01 1 
      1173 136 136 VAL HB   H   2.01 0.01 1 
      1174 136 136 VAL HG1  H   0.67 0.01 2 
      1175 136 136 VAL HG2  H   0.67 0.01 2 
      1176 136 136 VAL C    C 175.8  1.00 1 
      1177 136 136 VAL CA   C  62.2  0.90 1 
      1178 136 136 VAL CB   C  28.7  0.90 1 
      1179 136 136 VAL N    N 116.9  0.20 1 
      1180 137 137 MET H    H   8.10 0.01 1 
      1181 137 137 MET HA   H   3.91 0.01 1 
      1182 137 137 MET HB2  H   2.04 0.01 1 
      1183 137 137 MET HB3  H   2.04 0.01 1 
      1184 137 137 MET HG2  H   2.52 0.01 1 
      1185 137 137 MET HG3  H   2.52 0.01 1 
      1186 137 137 MET C    C 175.3  1.00 1 
      1187 137 137 MET CA   C  56.3  0.90 1 
      1188 137 137 MET CB   C  30.6  0.90 1 
      1189 137 137 MET N    N 119.8  0.20 1 
      1190 138 138 LEU H    H   7.86 0.01 1 
      1191 138 138 LEU HA   H   4.65 0.01 1 
      1192 138 138 LEU HB2  H   1.71 0.01 1 
      1193 138 138 LEU HB3  H   1.71 0.01 1 
      1194 138 138 LEU HG   H   1.55 0.01 1 
      1195 138 138 LEU HD1  H   0.76 0.01 2 
      1196 138 138 LEU HD2  H   0.76 0.01 2 
      1197 138 138 LEU C    C 176.3  1.00 1 
      1198 138 138 LEU CA   C  53.8  0.90 1 
      1199 138 138 LEU CB   C  39.3  0.90 1 
      1200 138 138 LEU N    N 119.2  0.20 1 
      1201 139 139 GLY H    H   7.78 0.01 1 
      1202 139 139 GLY HA2  H   3.92 0.01 1 
      1203 139 139 GLY HA3  H   3.92 0.01 1 
      1204 139 139 GLY C    C 172.2  1.00 1 
      1205 139 139 GLY CA   C  43.1  0.90 1 
      1206 139 139 GLY N    N 107.0  0.20 1 
      1207 140 140 SER H    H   7.91 0.01 1 
      1208 140 140 SER HA   H   4.39 0.01 1 
      1209 140 140 SER HB2  H   3.91 0.01 1 
      1210 140 140 SER HB3  H   3.91 0.01 1 
      1211 140 140 SER C    C 172.6  1.00 1 
      1212 140 140 SER CA   C  56.3  0.90 1 
      1213 140 140 SER CB   C  61.2  0.90 1 
      1214 140 140 SER N    N 115.3  0.20 1 
      1215 141 141 GLY H    H   8.24 0.01 1 
      1216 141 141 GLY HA2  H   4.67 0.01 1 
      1217 141 141 GLY HA3  H   4.67 0.01 1 
      1218 141 141 GLY C    C 171.5  1.00 1 
      1219 141 141 GLY CA   C  42.8  0.90 1 
      1220 141 141 GLY N    N 110.4  0.20 1 
      1221 142 142 GLN H    H   8.00 0.01 1 
      1222 142 142 GLN HA   H   4.26 0.01 1 
      1223 142 142 GLN HB2  H   1.85 0.01 1 
      1224 142 142 GLN HB3  H   1.85 0.01 1 
      1225 142 142 GLN HG2  H   2.20 0.01 1 
      1226 142 142 GLN HG3  H   2.20 0.01 1 
      1227 142 142 GLN C    C 173.0  1.00 1 
      1228 142 142 GLN CA   C  53.1  0.90 1 
      1229 142 142 GLN CB   C  26.8  0.90 1 
      1230 142 142 GLN N    N 119.4  0.20 1 
      1231 143 143 LYS H    H   8.25 0.01 1 
      1232 143 143 LYS HA   H   4.21 0.01 1 
      1233 143 143 LYS HB2  H   1.72 0.01 1 
      1234 143 143 LYS HB3  H   1.72 0.01 1 
      1235 143 143 LYS HG2  H   1.37 0.01 1 
      1236 143 143 LYS HG3  H   1.37 0.01 1 
      1237 143 143 LYS C    C 172.8  1.00 1 
      1238 143 143 LYS CA   C  53.7  0.90 1 
      1239 143 143 LYS CB   C  30.3  0.90 1 
      1240 143 143 LYS N    N 123.3  0.20 1 
      1241 144 144 ARG H    H   7.96 0.01 1 
      1242 144 144 ARG HA   H   4.07 0.01 1 
      1243 144 144 ARG HB2  H   1.81 0.01 1 
      1244 144 144 ARG HB3  H   1.81 0.01 1 
      1245 144 144 ARG HG2  H   1.62 0.01 1 
      1246 144 144 ARG HG3  H   1.62 0.01 1 
      1247 144 144 ARG CA   C  54.6  0.90 1 
      1248 144 144 ARG CB   C  28.8  0.90 1 
      1249 144 144 ARG N    N 128.3  0.20 1 

   stop_

save_