data_10265

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

save_entry_information
   _Saveframe_category      entry_information

   _Entry_title            
;
Solution structures of the fn3 domain of human receptor-type tyrosine-protein 
phosphatase F 
;
   _BMRB_accession_number   10265
   _BMRB_flat_file_name     bmr10265.str
   _Entry_type              new
   _Submission_date         2008-12-15
   _Accession_date          2008-12-15
   _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 Sato     M. . . 
      2 Koshiba  S. . . 
      3 Inoue    M. . . 
      4 Kigawa   T. . . 
      5 Yokoyama S. . . 

   stop_

   loop_
      _Saveframe_category_type
      _Saveframe_category_type_count

      assigned_chemical_shifts 1 

   stop_

   loop_
      _Data_type
      _Data_type_count

      "1H chemical shifts"  671 
      "13C chemical shifts" 511 
      "15N chemical shifts" 122 

   stop_

   loop_
      _Revision_date
      _Revision_keyword
      _Revision_author
      _Revision_detail

      2009-12-14 original author . 

   stop_

save_


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

save_citation_1
   _Saveframe_category           entry_citation

   _Citation_full                .
   _Citation_title              
;
Solution structures of the fn3 domain of human receptor-type tyrosine-protein 
phosphatase F 
;
   _Citation_status             'in preparation'
   _Citation_type                journal
   _CAS_abstract_code            .
   _MEDLINE_UI_code              .
   _PubMed_ID                    ?

   loop_
      _Author_ordinal
      _Author_family_name
      _Author_given_name
      _Author_middle_initials
      _Author_family_title

      1 Sato     M. . . 
      2 Koshiba  S. . . 
      3 Inoue    M. . . 
      4 Kigawa   T. . . 
      5 Yokoyama S. . . 

   stop_

   _Journal_abbreviation         .
   _Journal_volume               .
   _Journal_issue                .
   _Journal_CSD                  .
   _Book_chapter_title           .
   _Book_volume                  .
   _Book_series                  .
   _Book_ISBN                    .
   _Conference_state_province    .
   _Conference_abstract_number   .
   _Page_first                   .
   _Page_last                    .
   _Year                         .
   _Details                      .

save_


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

save_assembly
   _Saveframe_category         molecular_system

   _Mol_system_name           'Protein tyrosine phosphatase, receptor type, F'
   _Enzyme_commission_number   E.C.3.1.3.48

   loop_
      _Mol_system_component_name
      _Mol_label

      'Fibronectin type III domain' $entity_1 

   stop_

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

save_


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

save_entity_1
   _Saveframe_category                          monomeric_polymer

   _Mol_type                                    polymer
   _Mol_polymer_class                           protein
   _Name_common                                'Fibronectin type III domain'
   _Molecular_mass                              .
   _Mol_thiol_state                            'all free'
   _Details                                     .

   	##############################
   	#  Polymer residue sequence  #
   	##############################
   
      _Residue_count                               134
   _Mol_residue_sequence                       
;
GSSGSSGTIEARTAQSTPSA
PPQKVMCVSMGSTTVRVSWV
PPPADSRNGVITQYSVAYEA
VDGEDRGRHVVDGISREHSS
WDLVGLEKWTEYRVWVRAHT
DVGPGPESSPVLVRTDEDVP
SGPPRKVESGPSSG
;

   loop_
      _Residue_seq_code
      _Residue_label

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

   stop_

   _Sequence_homology_query_date                .
   _Sequence_homology_query_revised_last_date   2015-06-23

   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 2EDX "Solution Structures Of The Fn3 Domain Of Human Receptor- Type Tyrosine-Protein Phosphatase F"                       100.00 134 100.00 100.00 1.99e-87 
      PDB 4N5U "Crystal Structure Of The 4th Fn3 Domain Of Human Protein Tyrosine Phosphatase, Receptor Type F [psi-nysgrc-006240]"  78.36 117 100.00 100.00 7.66e-68 

   stop_

save_


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

save_natural_source
   _Saveframe_category   natural_source


   loop_
      _Mol_label
      _Organism_name_common
      _NCBI_taxonomy_ID
      _Superkingdom
      _Kingdom
      _Genus
      _Species

      $entity_1 human 9606 Eukaryota Metazoa Homo sapiens 

   stop_

save_


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

save_experimental_source
   _Saveframe_category   experimental_source


   loop_
      _Mol_label
      _Production_method
      _Host_organism_name_common
      _Genus
      _Species
      _Strain
      _Vector_type
      _Vector_name

      $entity_1 'cell free synthesis' . . . . plasmid P051003-06 

   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

      $entity_1      0.7  mM '[U-13C; U-15N]' 
      'd-Tris HCl'  20    mM  .               
       NaCl        100    mM  .               
       d-DTT         1    mM  .               
       NaN3          0.02 %   .               
       H2O          90    %   .               
       D2O          10    %   .               

   stop_

save_


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

save_software_1
   _Saveframe_category   software

   _Name                 XWINNMR
   _Version              3.5

   loop_
      _Vendor
      _Address
      _Electronic_address

      Bruker . . 

   stop_

   loop_
      _Task

      collection 

   stop_

   _Details              .

save_


save_software_2
   _Saveframe_category   software

   _Name                 NMRPipe
   _Version              20031121

   loop_
      _Vendor
      _Address
      _Electronic_address

      'Delaglio, F.' . . 

   stop_

   loop_
      _Task

      processing 

   stop_

   _Details              .

save_


save_software_3
   _Saveframe_category   software

   _Name                 NMRView
   _Version              5.0.4

   loop_
      _Vendor
      _Address
      _Electronic_address

      'Johnson, B.A.' . . 

   stop_

   loop_
      _Task

      'data analysis' 

   stop_

   _Details              .

save_


save_software_4
   _Saveframe_category   software

   _Name                 Kujira
   _Version              0.932

   loop_
      _Vendor
      _Address
      _Electronic_address

      'Kobayashi, N.' . . 

   stop_

   loop_
      _Task

      'data analysis' 

   stop_

   _Details              .

save_


save_software_5
   _Saveframe_category   software

   _Name                 CYANA
   _Version              2.0.17

   loop_
      _Vendor
      _Address
      _Electronic_address

      'Guntert, P.' . . 

   stop_

   loop_
      _Task

      'structure solution' 
       refinement          

   stop_

   _Details              .

save_


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

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

save_spectrometer_1
   _Saveframe_category   NMR_spectrometer

   _Manufacturer         Bruker
   _Model                AVANCE
   _Field_strength       700
   _Details              .

save_


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

save_3D_13C-separated_NOESY_1
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D 13C-separated NOESY'
   _Sample_label        $sample_1

save_


save_3D_15N-separated_NOESY_2
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D 15N-separated NOESY'
   _Sample_label        $sample_1

save_


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

save_condition_1
   _Saveframe_category   sample_conditions

   _Details              .

   loop_
      _Variable_type
      _Variable_value
      _Variable_value_error
      _Variable_value_units

      'ionic strength' 120   0.1   mM  
       pH                7.0 0.05  pH  
       pressure          1   0.001 atm 
       temperature     298   0.1   K   

   stop_

save_


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

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

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

save_reference_1
   _Saveframe_category   chemical_shift_reference

   _Details             
;
Chemical shift reference of 1H was based on the proton of water (4.784ppm at 
298K) and then those of 15N and 13C were calculated based on their gyromagnetic 
ratios.
;

   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 H  1 'methyl protons' ppm 0.0 . indirect . . . 1.0         
      DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 
      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_chemical_shift_1
   _Saveframe_category               assigned_chemical_shifts

   _Details                          .

   loop_
      _Experiment_label

      '3D 13C-separated NOESY' 
      '3D 15N-separated NOESY' 

   stop_

   loop_
      _Sample_label

      $sample_1 

   stop_

   _Sample_conditions_label         $condition_1
   _Chem_shift_reference_set_label  $reference_1
   _Mol_system_component_name       'Fibronectin type III domain'
   _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   6   6 SER HA   H   4.489 0.030 1 
         2   6   6 SER HB2  H   3.905 0.030 2 
         3   6   6 SER C    C 175.028 0.300 1 
         4   6   6 SER CA   C  58.777 0.300 1 
         5   6   6 SER CB   C  63.463 0.300 1 
         6   7   7 GLY H    H   8.285 0.030 1 
         7   7   7 GLY HA2  H   3.983 0.030 1 
         8   7   7 GLY HA3  H   3.983 0.030 1 
         9   7   7 GLY C    C 174.254 0.300 1 
        10   7   7 GLY CA   C  45.378 0.300 1 
        11   7   7 GLY N    N 110.747 0.300 1 
        12   8   8 THR H    H   8.029 0.030 1 
        13   8   8 THR HA   H   4.325 0.030 1 
        14   8   8 THR HB   H   4.164 0.030 1 
        15   8   8 THR HG2  H   1.180 0.030 1 
        16   8   8 THR C    C 174.656 0.300 1 
        17   8   8 THR CA   C  61.863 0.300 1 
        18   8   8 THR CB   C  69.955 0.300 1 
        19   8   8 THR CG2  C  21.610 0.300 1 
        20   8   8 THR N    N 114.277 0.300 1 
        21   9   9 ILE H    H   8.254 0.030 1 
        22   9   9 ILE HA   H   4.103 0.030 1 
        23   9   9 ILE HB   H   1.818 0.030 1 
        24   9   9 ILE HD1  H   0.821 0.030 1 
        25   9   9 ILE HG12 H   1.440 0.030 2 
        26   9   9 ILE HG13 H   1.155 0.030 2 
        27   9   9 ILE HG2  H   0.861 0.030 1 
        28   9   9 ILE C    C 176.366 0.300 1 
        29   9   9 ILE CA   C  61.353 0.300 1 
        30   9   9 ILE CB   C  38.587 0.300 1 
        31   9   9 ILE CD1  C  12.837 0.300 1 
        32   9   9 ILE CG1  C  27.391 0.300 1 
        33   9   9 ILE CG2  C  17.422 0.300 1 
        34   9   9 ILE N    N 123.587 0.300 1 
        35  10  10 GLU H    H   8.505 0.030 1 
        36  10  10 GLU HA   H   4.194 0.030 1 
        37  10  10 GLU HB2  H   1.965 0.030 2 
        38  10  10 GLU HB3  H   1.899 0.030 2 
        39  10  10 GLU HG2  H   2.257 0.030 2 
        40  10  10 GLU HG3  H   2.234 0.030 2 
        41  10  10 GLU C    C 176.199 0.300 1 
        42  10  10 GLU CA   C  56.767 0.300 1 
        43  10  10 GLU CB   C  30.157 0.300 1 
        44  10  10 GLU CG   C  36.430 0.300 1 
        45  10  10 GLU N    N 125.414 0.300 1 
        46  11  11 ALA H    H   8.292 0.030 1 
        47  11  11 ALA HA   H   4.260 0.030 1 
        48  11  11 ALA HB   H   1.348 0.030 1 
        49  11  11 ALA C    C 177.792 0.300 1 
        50  11  11 ALA CA   C  52.622 0.300 1 
        51  11  11 ALA CB   C  19.131 0.300 1 
        52  11  11 ALA N    N 125.589 0.300 1 
        53  12  12 ARG H    H   8.310 0.030 1 
        54  12  12 ARG HA   H   4.346 0.030 1 
        55  12  12 ARG HB2  H   1.842 0.030 2 
        56  12  12 ARG HB3  H   1.759 0.030 2 
        57  12  12 ARG HD2  H   3.165 0.030 1 
        58  12  12 ARG HD3  H   3.165 0.030 1 
        59  12  12 ARG HG2  H   1.608 0.030 1 
        60  12  12 ARG HG3  H   1.608 0.030 1 
        61  12  12 ARG C    C 176.707 0.300 1 
        62  12  12 ARG CA   C  56.291 0.300 1 
        63  12  12 ARG CB   C  30.785 0.300 1 
        64  12  12 ARG CD   C  43.414 0.300 1 
        65  12  12 ARG CG   C  27.035 0.300 1 
        66  12  12 ARG N    N 120.350 0.300 1 
        67  13  13 THR H    H   8.179 0.030 1 
        68  13  13 THR HA   H   4.281 0.030 1 
        69  13  13 THR HB   H   4.185 0.030 1 
        70  13  13 THR HG2  H   1.167 0.030 1 
        71  13  13 THR C    C 174.407 0.300 1 
        72  13  13 THR CA   C  61.951 0.300 1 
        73  13  13 THR CB   C  69.924 0.300 1 
        74  13  13 THR CG2  C  21.761 0.300 1 
        75  13  13 THR N    N 115.200 0.300 1 
        76  14  14 ALA H    H   8.329 0.030 1 
        77  14  14 ALA HA   H   4.296 0.030 1 
        78  14  14 ALA HB   H   1.385 0.030 1 
        79  14  14 ALA C    C 177.476 0.300 1 
        80  14  14 ALA CA   C  52.643 0.300 1 
        81  14  14 ALA CB   C  19.247 0.300 1 
        82  14  14 ALA N    N 126.376 0.300 1 
        83  15  15 GLN H    H   8.292 0.030 1 
        84  15  15 GLN HA   H   4.346 0.030 1 
        85  15  15 GLN HB2  H   2.106 0.030 2 
        86  15  15 GLN HB3  H   1.934 0.030 2 
        87  15  15 GLN HE21 H   7.469 0.030 2 
        88  15  15 GLN HE22 H   6.859 0.030 2 
        89  15  15 GLN HG2  H   2.351 0.030 1 
        90  15  15 GLN HG3  H   2.351 0.030 1 
        91  15  15 GLN C    C 175.882 0.300 1 
        92  15  15 GLN CA   C  55.851 0.300 1 
        93  15  15 GLN CB   C  29.751 0.300 1 
        94  15  15 GLN CG   C  34.032 0.300 1 
        95  15  15 GLN N    N 119.282 0.300 1 
        96  15  15 GLN NE2  N 112.546 0.300 1 
        97  16  16 SER H    H   8.382 0.030 1 
        98  16  16 SER HA   H   4.606 0.030 1 
        99  16  16 SER HB2  H   3.813 0.030 1 
       100  16  16 SER HB3  H   3.813 0.030 1 
       101  16  16 SER C    C 174.229 0.300 1 
       102  16  16 SER CA   C  57.614 0.300 1 
       103  16  16 SER CB   C  64.040 0.300 1 
       104  16  16 SER N    N 116.030 0.300 1 
       105  17  17 THR H    H   8.012 0.030 1 
       106  17  17 THR HA   H   4.486 0.030 1 
       107  17  17 THR HB   H   4.044 0.030 1 
       108  17  17 THR HG2  H   1.017 0.030 1 
       109  17  17 THR CA   C  59.953 0.300 1 
       110  17  17 THR CB   C  68.611 0.300 1 
       111  17  17 THR CG2  C  21.777 0.300 1 
       112  17  17 THR N    N 114.737 0.300 1 
       113  18  18 PRO HA   H   4.541 0.030 1 
       114  18  18 PRO HB2  H   2.346 0.030 2 
       115  18  18 PRO HB3  H   1.829 0.030 2 
       116  18  18 PRO HD2  H   3.904 0.030 2 
       117  18  18 PRO HD3  H   3.461 0.030 2 
       118  18  18 PRO HG2  H   1.808 0.030 1 
       119  18  18 PRO HG3  H   1.808 0.030 1 
       120  18  18 PRO C    C 176.525 0.300 1 
       121  18  18 PRO CA   C  63.467 0.300 1 
       122  18  18 PRO CB   C  31.996 0.300 1 
       123  18  18 PRO CD   C  50.606 0.300 1 
       124  18  18 PRO CG   C  27.271 0.300 1 
       125  19  19 SER H    H   8.671 0.030 1 
       126  19  19 SER HA   H   4.484 0.030 1 
       127  19  19 SER HB2  H   3.955 0.030 2 
       128  19  19 SER HB3  H   3.709 0.030 2 
       129  19  19 SER C    C 173.299 0.300 1 
       130  19  19 SER CA   C  57.790 0.300 1 
       131  19  19 SER CB   C  64.198 0.300 1 
       132  19  19 SER N    N 115.351 0.300 1 
       133  20  20 ALA H    H   7.824 0.030 1 
       134  20  20 ALA HA   H   4.867 0.030 1 
       135  20  20 ALA HB   H   1.431 0.030 1 
       136  20  20 ALA C    C 174.423 0.300 1 
       137  20  20 ALA CA   C  49.856 0.300 1 
       138  20  20 ALA CB   C  20.649 0.300 1 
       139  20  20 ALA N    N 123.616 0.300 1 
       140  21  21 PRO HB2  H   2.264 0.030 2 
       141  21  21 PRO HB3  H   1.635 0.030 2 
       142  21  21 PRO HD2  H   3.687 0.030 2 
       143  21  21 PRO HD3  H   3.418 0.030 2 
       144  21  21 PRO HG2  H   1.934 0.030 2 
       145  21  21 PRO HG3  H   1.978 0.030 2 
       146  21  21 PRO CA   C  64.689 0.300 1 
       147  21  21 PRO CB   C  30.514 0.300 1 
       148  21  21 PRO CD   C  50.468 0.300 1 
       149  21  21 PRO CG   C  27.737 0.300 1 
       150  22  22 PRO HA   H   4.653 0.030 1 
       151  22  22 PRO HB2  H   4.351 0.030 2 
       152  22  22 PRO HB3  H   1.498 0.030 2 
       153  22  22 PRO HD2  H   3.666 0.030 2 
       154  22  22 PRO HD3  H   4.653 0.030 2 
       155  22  22 PRO HG2  H   1.615 0.030 1 
       156  22  22 PRO HG3  H   1.615 0.030 1 
       157  22  22 PRO C    C 174.196 0.300 1 
       158  22  22 PRO CA   C  62.504 0.300 1 
       159  22  22 PRO CB   C  31.980 0.300 1 
       160  22  22 PRO CD   C  50.359 0.300 1 
       161  22  22 PRO CG   C  28.807 0.300 1 
       162  23  23 GLN H    H   8.379 0.030 1 
       163  23  23 GLN HA   H   4.494 0.030 1 
       164  23  23 GLN HB2  H   2.169 0.030 2 
       165  23  23 GLN HB3  H   1.803 0.030 2 
       166  23  23 GLN HE21 H   7.673 0.030 2 
       167  23  23 GLN HE22 H   7.295 0.030 2 
       168  23  23 GLN HG2  H   2.387 0.030 1 
       169  23  23 GLN HG3  H   2.387 0.030 1 
       170  23  23 GLN C    C 173.981 0.300 1 
       171  23  23 GLN CA   C  54.175 0.300 1 
       172  23  23 GLN CB   C  32.763 0.300 1 
       173  23  23 GLN CG   C  34.875 0.300 1 
       174  23  23 GLN N    N 118.794 0.300 1 
       175  23  23 GLN NE2  N 113.933 0.300 1 
       176  24  24 LYS H    H   8.712 0.030 1 
       177  24  24 LYS HA   H   3.798 0.030 1 
       178  24  24 LYS HB2  H   1.894 0.030 2 
       179  24  24 LYS HB3  H   1.684 0.030 2 
       180  24  24 LYS HD2  H   1.642 0.030 1 
       181  24  24 LYS HD3  H   1.642 0.030 1 
       182  24  24 LYS HE2  H   2.959 0.030 1 
       183  24  24 LYS HE3  H   2.959 0.030 1 
       184  24  24 LYS HG2  H   1.362 0.030 1 
       185  24  24 LYS HG3  H   1.362 0.030 1 
       186  24  24 LYS C    C 174.657 0.300 1 
       187  24  24 LYS CA   C  56.220 0.300 1 
       188  24  24 LYS CB   C  30.950 0.300 1 
       189  24  24 LYS CD   C  29.339 0.300 1 
       190  24  24 LYS CE   C  42.282 0.300 1 
       191  24  24 LYS CG   C  25.552 0.300 1 
       192  24  24 LYS N    N 116.539 0.300 1 
       193  25  25 VAL H    H   7.937 0.030 1 
       194  25  25 VAL HA   H   4.761 0.030 1 
       195  25  25 VAL HB   H   1.964 0.030 1 
       196  25  25 VAL HG1  H   0.930 0.030 1 
       197  25  25 VAL HG2  H   0.921 0.030 1 
       198  25  25 VAL C    C 176.870 0.300 1 
       199  25  25 VAL CA   C  63.449 0.300 1 
       200  25  25 VAL CB   C  31.238 0.300 1 
       201  25  25 VAL CG1  C  21.761 0.300 2 
       202  25  25 VAL CG2  C  21.761 0.300 2 
       203  25  25 VAL N    N 118.791 0.300 1 
       204  26  26 MET H    H   9.022 0.030 1 
       205  26  26 MET HA   H   4.800 0.030 1 
       206  26  26 MET HB2  H   1.964 0.030 2 
       207  26  26 MET HB3  H   1.881 0.030 2 
       208  26  26 MET HE   H   1.996 0.030 1 
       209  26  26 MET HG2  H   2.461 0.030 1 
       210  26  26 MET HG3  H   2.461 0.030 1 
       211  26  26 MET C    C 174.578 0.300 1 
       212  26  26 MET CA   C  54.246 0.300 1 
       213  26  26 MET CB   C  36.271 0.300 1 
       214  26  26 MET CE   C  16.876 0.300 1 
       215  26  26 MET CG   C  31.650 0.300 1 
       216  26  26 MET N    N 126.964 0.300 1 
       217  27  27 CYS H    H   8.795 0.030 1 
       218  27  27 CYS HA   H   5.554 0.030 1 
       219  27  27 CYS HB2  H   2.554 0.030 2 
       220  27  27 CYS HB3  H   2.426 0.030 2 
       221  27  27 CYS C    C 173.118 0.300 1 
       222  27  27 CYS CA   C  56.909 0.300 1 
       223  27  27 CYS CB   C  31.685 0.300 1 
       224  27  27 CYS N    N 118.691 0.300 1 
       225  28  28 VAL H    H   8.684 0.030 1 
       226  28  28 VAL HA   H   4.431 0.030 1 
       227  28  28 VAL HB   H   1.954 0.030 1 
       228  28  28 VAL HG1  H   0.895 0.030 1 
       229  28  28 VAL HG2  H   0.895 0.030 1 
       230  28  28 VAL C    C 174.775 0.300 1 
       231  28  28 VAL CA   C  59.896 0.300 1 
       232  28  28 VAL CB   C  35.777 0.300 1 
       233  28  28 VAL CG1  C  20.854 0.300 2 
       234  28  28 VAL CG2  C  20.854 0.300 2 
       235  28  28 VAL N    N 119.963 0.300 1 
       236  29  29 SER H    H   9.100 0.030 1 
       237  29  29 SER HA   H   4.404 0.030 1 
       238  29  29 SER HB2  H   3.965 0.030 1 
       239  29  29 SER HB3  H   3.965 0.030 1 
       240  29  29 SER C    C 175.452 0.300 1 
       241  29  29 SER CA   C  59.112 0.300 1 
       242  29  29 SER CB   C  62.938 0.300 1 
       243  29  29 SER N    N 121.276 0.300 1 
       244  30  30 MET H    H   8.426 0.030 1 
       245  30  30 MET HA   H   4.826 0.030 1 
       246  30  30 MET HB2  H   2.159 0.030 2 
       247  30  30 MET HB3  H   1.414 0.030 2 
       248  30  30 MET HE   H   1.907 0.030 1 
       249  30  30 MET HG2  H   2.354 0.030 2 
       250  30  30 MET HG3  H   2.269 0.030 2 
       251  30  30 MET C    C 175.393 0.300 1 
       252  30  30 MET CA   C  53.365 0.300 1 
       253  30  30 MET CB   C  32.433 0.300 1 
       254  30  30 MET CE   C  16.199 0.300 1 
       255  30  30 MET CG   C  32.000 0.300 1 
       256  30  30 MET N    N 125.772 0.300 1 
       257  31  31 GLY H    H   8.170 0.030 1 
       258  31  31 GLY HA2  H   4.359 0.030 2 
       259  31  31 GLY HA3  H   3.983 0.030 2 
       260  31  31 GLY C    C 173.316 0.300 1 
       261  31  31 GLY CA   C  45.095 0.300 1 
       262  31  31 GLY N    N 109.868 0.300 1 
       263  32  32 SER H    H   8.690 0.030 1 
       264  32  32 SER HA   H   4.599 0.030 1 
       265  32  32 SER HB2  H   3.836 0.030 2 
       266  32  32 SER HB3  H   3.637 0.030 2 
       267  32  32 SER C    C 174.548 0.300 1 
       268  32  32 SER CA   C  59.924 0.300 1 
       269  32  32 SER CB   C  66.109 0.300 1 
       270  32  32 SER N    N 114.729 0.300 1 
       271  33  33 THR H    H   7.672 0.030 1 
       272  33  33 THR HA   H   4.502 0.030 1 
       273  33  33 THR HB   H   4.588 0.030 1 
       274  33  33 THR HG2  H   1.057 0.030 1 
       275  33  33 THR C    C 173.873 0.300 1 
       276  33  33 THR CA   C  60.205 0.300 1 
       277  33  33 THR CB   C  71.003 0.300 1 
       278  33  33 THR CG2  C  21.266 0.300 1 
       279  33  33 THR N    N 103.471 0.300 1 
       280  34  34 THR H    H   6.700 0.030 1 
       281  34  34 THR HA   H   5.505 0.030 1 
       282  34  34 THR HB   H   3.689 0.030 1 
       283  34  34 THR HG2  H   0.906 0.030 1 
       284  34  34 THR C    C 172.993 0.300 1 
       285  34  34 THR CA   C  59.953 0.300 1 
       286  34  34 THR CB   C  71.778 0.300 1 
       287  34  34 THR CG2  C  20.721 0.300 1 
       288  34  34 THR N    N 113.934 0.300 1 
       289  35  35 VAL H    H   8.329 0.030 1 
       290  35  35 VAL HA   H   4.446 0.030 1 
       291  35  35 VAL HB   H   1.516 0.030 1 
       292  35  35 VAL HG1  H   0.634 0.030 1 
       293  35  35 VAL HG2  H   0.488 0.030 1 
       294  35  35 VAL C    C 172.732 0.300 1 
       295  35  35 VAL CA   C  59.821 0.300 1 
       296  35  35 VAL CB   C  36.727 0.300 1 
       297  35  35 VAL CG1  C  21.774 0.300 2 
       298  35  35 VAL CG2  C  22.254 0.300 2 
       299  35  35 VAL N    N 124.022 0.300 1 
       300  36  36 ARG H    H   9.080 0.030 1 
       301  36  36 ARG HA   H   5.060 0.030 1 
       302  36  36 ARG HB2  H   1.686 0.030 1 
       303  36  36 ARG HB3  H   1.686 0.030 1 
       304  36  36 ARG HD2  H   3.012 0.030 2 
       305  36  36 ARG HD3  H   2.880 0.030 2 
       306  36  36 ARG HE   H   9.310 0.030 1 
       307  36  36 ARG HG2  H   1.421 0.030 2 
       308  36  36 ARG HG3  H   1.367 0.030 2 
       309  36  36 ARG C    C 175.138 0.300 1 
       310  36  36 ARG CA   C  55.481 0.300 1 
       311  36  36 ARG CB   C  32.142 0.300 1 
       312  36  36 ARG CD   C  43.008 0.300 1 
       313  36  36 ARG CG   C  25.767 0.300 1 
       314  36  36 ARG N    N 127.089 0.300 1 
       315  36  36 ARG NE   N  86.476 0.300 1 
       316  37  37 VAL H    H   9.510 0.030 1 
       317  37  37 VAL HA   H   5.092 0.030 1 
       318  37  37 VAL HB   H   2.346 0.030 1 
       319  37  37 VAL HG1  H   1.104 0.030 1 
       320  37  37 VAL HG2  H   1.178 0.030 1 
       321  37  37 VAL C    C 174.040 0.300 1 
       322  37  37 VAL CA   C  60.100 0.300 1 
       323  37  37 VAL CB   C  34.329 0.300 1 
       324  37  37 VAL CG1  C  22.471 0.300 2 
       325  37  37 VAL CG2  C  21.142 0.300 2 
       326  37  37 VAL N    N 133.064 0.300 1 
       327  38  38 SER H    H   9.474 0.030 1 
       328  38  38 SER HA   H   5.099 0.030 1 
       329  38  38 SER HB2  H   3.816 0.030 2 
       330  38  38 SER HB3  H   3.619 0.030 2 
       331  38  38 SER C    C 172.529 0.300 1 
       332  38  38 SER CA   C  57.508 0.300 1 
       333  38  38 SER CB   C  66.430 0.300 1 
       334  38  38 SER N    N 120.559 0.300 1 
       335  39  39 TRP H    H   7.777 0.030 1 
       336  39  39 TRP HA   H   5.044 0.030 1 
       337  39  39 TRP HB2  H   3.369 0.030 2 
       338  39  39 TRP HB3  H   2.923 0.030 2 
       339  39  39 TRP HD1  H   6.149 0.030 1 
       340  39  39 TRP HE1  H   6.776 0.030 1 
       341  39  39 TRP HE3  H   7.595 0.030 1 
       342  39  39 TRP HH2  H   6.635 0.030 1 
       343  39  39 TRP HZ2  H   6.472 0.030 1 
       344  39  39 TRP HZ3  H   6.916 0.030 1 
       345  39  39 TRP CA   C  57.002 0.300 1 
       346  39  39 TRP CB   C  31.344 0.300 1 
       347  39  39 TRP CD1  C 124.034 0.300 1 
       348  39  39 TRP CE3  C 121.150 0.300 1 
       349  39  39 TRP CH2  C 122.919 0.300 1 
       350  39  39 TRP CZ2  C 113.888 0.300 1 
       351  39  39 TRP CZ3  C 119.971 0.300 1 
       352  39  39 TRP N    N 116.125 0.300 1 
       353  39  39 TRP NE1  N 125.284 0.300 1 
       354  40  40 VAL H    H   8.722 0.030 1 
       355  40  40 VAL HA   H   4.750 0.030 1 
       356  40  40 VAL HB   H   1.953 0.030 1 
       357  40  40 VAL HG1  H   0.928 0.030 1 
       358  40  40 VAL HG2  H   1.052 0.030 1 
       359  40  40 VAL CA   C  58.914 0.300 1 
       360  40  40 VAL CB   C  34.239 0.300 1 
       361  40  40 VAL CG1  C  21.707 0.300 2 
       362  40  40 VAL CG2  C  20.716 0.300 2 
       363  40  40 VAL N    N 118.634 0.300 1 
       364  41  41 PRO HA   H   4.867 0.030 1 
       365  41  41 PRO HB2  H   2.616 0.030 2 
       366  41  41 PRO HB3  H   1.834 0.030 2 
       367  41  41 PRO HD2  H   3.997 0.030 2 
       368  41  41 PRO HD3  H   3.651 0.030 2 
       369  41  41 PRO HG2  H   2.145 0.030 1 
       370  41  41 PRO HG3  H   2.145 0.030 1 
       371  41  41 PRO CA   C  62.469 0.300 1 
       372  41  41 PRO CB   C  30.631 0.300 1 
       373  41  41 PRO CD   C  51.486 0.300 1 
       374  41  41 PRO CG   C  27.928 0.300 1 
       375  42  42 PRO HD2  H   3.761 0.030 2 
       376  42  42 PRO CD   C  50.461 0.300 1 
       377  43  43 PRO CB   C  33.340 0.300 1 
       378  43  43 PRO CD   C  49.433 0.300 1 
       379  44  44 ALA HA   H   3.904 0.030 1 
       380  44  44 ALA HB   H   1.423 0.030 1 
       381  44  44 ALA CA   C  54.806 0.300 1 
       382  44  44 ALA CB   C  18.727 0.300 1 
       383  45  45 ASP H    H   8.436 0.030 1 
       384  45  45 ASP HA   H   4.542 0.030 1 
       385  45  45 ASP HB2  H   2.768 0.030 2 
       386  45  45 ASP HB3  H   2.691 0.030 2 
       387  45  45 ASP CA   C  54.661 0.300 1 
       388  45  45 ASP CB   C  40.840 0.300 1 
       389  45  45 ASP N    N 117.190 0.300 1 
       390  47  47 ARG HA   H   5.037 0.030 1 
       391  47  47 ARG HB2  H   2.018 0.030 2 
       392  47  47 ARG HB3  H   1.944 0.030 2 
       393  47  47 ARG HD2  H   3.303 0.030 2 
       394  47  47 ARG HD3  H   3.186 0.030 2 
       395  47  47 ARG HG2  H   1.857 0.030 2 
       396  47  47 ARG HG3  H   1.396 0.030 2 
       397  47  47 ARG CA   C  61.268 0.300 1 
       398  47  47 ARG CB   C  30.610 0.300 1 
       399  47  47 ARG CD   C  43.967 0.300 1 
       400  47  47 ARG CG   C  27.603 0.300 1 
       401  48  48 ASN H    H   8.208 0.030 1 
       402  48  48 ASN HA   H   4.424 0.030 1 
       403  48  48 ASN HB2  H   2.774 0.030 2 
       404  48  48 ASN HB3  H   2.703 0.030 2 
       405  48  48 ASN HD21 H   7.643 0.030 2 
       406  48  48 ASN HD22 H   6.852 0.030 2 
       407  48  48 ASN C    C 174.226 0.300 1 
       408  48  48 ASN CA   C  53.629 0.300 1 
       409  48  48 ASN CB   C  37.952 0.300 1 
       410  48  48 ASN N    N 112.494 0.300 1 
       411  48  48 ASN ND2  N 113.784 0.300 1 
       412  49  49 GLY H    H   7.700 0.030 1 
       413  49  49 GLY HA2  H   4.099 0.030 2 
       414  49  49 GLY HA3  H   3.905 0.030 2 
       415  49  49 GLY C    C 172.760 0.300 1 
       416  49  49 GLY CA   C  44.443 0.300 1 
       417  49  49 GLY N    N 105.565 0.300 1 
       418  50  50 VAL H    H   8.138 0.030 1 
       419  50  50 VAL HA   H   3.983 0.030 1 
       420  50  50 VAL HB   H   1.911 0.030 1 
       421  50  50 VAL HG1  H   0.934 0.030 1 
       422  50  50 VAL HG2  H   0.856 0.030 1 
       423  50  50 VAL C    C 176.427 0.300 1 
       424  50  50 VAL CA   C  62.233 0.300 1 
       425  50  50 VAL CB   C  32.969 0.300 1 
       426  50  50 VAL CG1  C  21.266 0.300 2 
       427  50  50 VAL CG2  C  21.081 0.300 2 
       428  50  50 VAL N    N 119.898 0.300 1 
       429  51  51 ILE H    H   8.391 0.030 1 
       430  51  51 ILE HA   H   4.286 0.030 1 
       431  51  51 ILE HB   H   1.865 0.030 1 
       432  51  51 ILE HD1  H   0.786 0.030 1 
       433  51  51 ILE HG12 H   1.525 0.030 2 
       434  51  51 ILE HG13 H   1.198 0.030 2 
       435  51  51 ILE HG2  H   0.644 0.030 1 
       436  51  51 ILE C    C 176.753 0.300 1 
       437  51  51 ILE CA   C  60.664 0.300 1 
       438  51  51 ILE CB   C  37.089 0.300 1 
       439  51  51 ILE CD1  C  12.200 0.300 1 
       440  51  51 ILE CG1  C  28.292 0.300 1 
       441  51  51 ILE CG2  C  17.075 0.300 1 
       442  51  51 ILE N    N 127.010 0.300 1 
       443  52  52 THR H    H   8.861 0.030 1 
       444  52  52 THR HA   H   4.251 0.030 1 
       445  52  52 THR HB   H   4.074 0.030 1 
       446  52  52 THR HG2  H   1.087 0.030 1 
       447  52  52 THR C    C 175.773 0.300 1 
       448  52  52 THR CA   C  61.881 0.300 1 
       449  52  52 THR CB   C  68.845 0.300 1 
       450  52  52 THR CG2  C  23.162 0.300 1 
       451  52  52 THR N    N 117.640 0.300 1 
       452  53  53 GLN H    H   7.297 0.030 1 
       453  53  53 GLN HA   H   4.813 0.030 1 
       454  53  53 GLN HB2  H   2.070 0.030 2 
       455  53  53 GLN HB3  H   1.686 0.030 2 
       456  53  53 GLN HE21 H   6.591 0.030 2 
       457  53  53 GLN HE22 H   6.340 0.030 2 
       458  53  53 GLN HG2  H   1.920 0.030 2 
       459  53  53 GLN HG3  H   1.505 0.030 2 
       460  53  53 GLN C    C 172.331 0.300 1 
       461  53  53 GLN CA   C  54.828 0.300 1 
       462  53  53 GLN CB   C  31.280 0.300 1 
       463  53  53 GLN CG   C  31.961 0.300 1 
       464  53  53 GLN N    N 117.415 0.300 1 
       465  53  53 GLN NE2  N 110.042 0.300 1 
       466  54  54 TYR H    H   9.024 0.030 1 
       467  54  54 TYR HA   H   5.254 0.030 1 
       468  54  54 TYR HB2  H   2.353 0.030 2 
       469  54  54 TYR HB3  H   2.163 0.030 2 
       470  54  54 TYR HD1  H   6.827 0.030 1 
       471  54  54 TYR HD2  H   6.827 0.030 1 
       472  54  54 TYR HE1  H   6.800 0.030 1 
       473  54  54 TYR HE2  H   6.800 0.030 1 
       474  54  54 TYR C    C 174.424 0.300 1 
       475  54  54 TYR CA   C  57.314 0.300 1 
       476  54  54 TYR CB   C  42.452 0.300 1 
       477  54  54 TYR CD1  C 133.512 0.300 1 
       478  54  54 TYR CD2  C 133.512 0.300 1 
       479  54  54 TYR CE1  C 117.662 0.300 1 
       480  54  54 TYR CE2  C 117.662 0.300 1 
       481  54  54 TYR N    N 116.834 0.300 1 
       482  55  55 SER H    H   8.666 0.030 1 
       483  55  55 SER HA   H   5.098 0.030 1 
       484  55  55 SER HB2  H   3.685 0.030 2 
       485  55  55 SER HB3  H   3.581 0.030 2 
       486  55  55 SER C    C 172.322 0.300 1 
       487  55  55 SER CA   C  57.543 0.300 1 
       488  55  55 SER CB   C  65.642 0.300 1 
       489  55  55 SER N    N 110.608 0.300 1 
       490  56  56 VAL H    H   8.598 0.030 1 
       491  56  56 VAL HA   H   4.722 0.030 1 
       492  56  56 VAL HB   H   1.678 0.030 1 
       493  56  56 VAL HG1  H   1.041 0.030 1 
       494  56  56 VAL HG2  H   0.635 0.030 1 
       495  56  56 VAL C    C 173.467 0.300 1 
       496  56  56 VAL CA   C  60.293 0.300 1 
       497  56  56 VAL CB   C  35.276 0.300 1 
       498  56  56 VAL CG1  C  23.244 0.300 2 
       499  56  56 VAL CG2  C  21.979 0.300 2 
       500  56  56 VAL N    N 121.235 0.300 1 
       501  57  57 ALA H    H   9.429 0.030 1 
       502  57  57 ALA HA   H   5.950 0.030 1 
       503  57  57 ALA HB   H   1.292 0.030 1 
       504  57  57 ALA C    C 176.208 0.300 1 
       505  57  57 ALA CA   C  49.204 0.300 1 
       506  57  57 ALA CB   C  23.303 0.300 1 
       507  57  57 ALA N    N 128.726 0.300 1 
       508  58  58 TYR H    H   9.155 0.030 1 
       509  58  58 TYR HA   H   6.445 0.030 1 
       510  58  58 TYR HB2  H   3.048 0.030 2 
       511  58  58 TYR HB3  H   2.848 0.030 2 
       512  58  58 TYR HD1  H   6.829 0.030 1 
       513  58  58 TYR HD2  H   6.829 0.030 1 
       514  58  58 TYR HE1  H   6.547 0.030 1 
       515  58  58 TYR HE2  H   6.547 0.030 1 
       516  58  58 TYR C    C 173.727 0.300 1 
       517  58  58 TYR CA   C  55.797 0.300 1 
       518  58  58 TYR CB   C  41.662 0.300 1 
       519  58  58 TYR CD1  C 133.868 0.300 1 
       520  58  58 TYR CD2  C 133.868 0.300 1 
       521  58  58 TYR CE1  C 117.978 0.300 1 
       522  58  58 TYR CE2  C 117.978 0.300 1 
       523  58  58 TYR N    N 115.719 0.300 1 
       524  59  59 GLU H    H   9.020 0.030 1 
       525  59  59 GLU HA   H   4.969 0.030 1 
       526  59  59 GLU HB2  H   2.219 0.030 2 
       527  59  59 GLU HB3  H   1.993 0.030 2 
       528  59  59 GLU HG2  H   2.261 0.030 2 
       529  59  59 GLU HG3  H   2.096 0.030 2 
       530  59  59 GLU C    C 174.734 0.300 1 
       531  59  59 GLU CA   C  54.916 0.300 1 
       532  59  59 GLU CB   C  35.128 0.300 1 
       533  59  59 GLU CG   C  35.979 0.300 1 
       534  59  59 GLU N    N 118.594 0.300 1 
       535  60  60 ALA H    H   9.830 0.030 1 
       536  60  60 ALA HA   H   4.086 0.030 1 
       537  60  60 ALA HB   H   1.160 0.030 1 
       538  60  60 ALA C    C 177.582 0.300 1 
       539  60  60 ALA CA   C  51.982 0.300 1 
       540  60  60 ALA CB   C  18.463 0.300 1 
       541  60  60 ALA N    N 130.146 0.300 1 
       542  61  61 VAL H    H   9.214 0.030 1 
       543  61  61 VAL HA   H   3.684 0.030 1 
       544  61  61 VAL HB   H   1.712 0.030 1 
       545  61  61 VAL HG1  H   0.752 0.030 1 
       546  61  61 VAL HG2  H   0.830 0.030 1 
       547  61  61 VAL C    C 177.270 0.300 1 
       548  61  61 VAL CA   C  64.155 0.300 1 
       549  61  61 VAL CB   C  32.639 0.300 1 
       550  61  61 VAL CG1  C  21.900 0.300 2 
       551  61  61 VAL CG2  C  21.039 0.300 2 
       552  61  61 VAL N    N 123.896 0.300 1 
       553  62  62 ASP H    H   7.812 0.030 1 
       554  62  62 ASP HA   H   4.644 0.030 1 
       555  62  62 ASP HB2  H   2.866 0.030 2 
       556  62  62 ASP HB3  H   2.432 0.030 2 
       557  62  62 ASP C    C 176.186 0.300 1 
       558  62  62 ASP CA   C  52.413 0.300 1 
       559  62  62 ASP CB   C  40.610 0.300 1 
       560  62  62 ASP N    N 116.490 0.300 1 
       561  63  63 GLY H    H   6.845 0.030 1 
       562  63  63 GLY HA2  H   4.359 0.030 2 
       563  63  63 GLY HA3  H   3.569 0.030 2 
       564  63  63 GLY C    C 173.650 0.300 1 
       565  63  63 GLY CA   C  44.390 0.300 1 
       566  63  63 GLY N    N 104.575 0.300 1 
       567  64  64 GLU H    H  10.338 0.030 1 
       568  64  64 GLU HA   H   4.125 0.030 1 
       569  64  64 GLU HB2  H   2.033 0.030 2 
       570  64  64 GLU HB3  H   1.955 0.030 2 
       571  64  64 GLU HG2  H   2.314 0.030 2 
       572  64  64 GLU HG3  H   2.220 0.030 2 
       573  64  64 GLU C    C 177.652 0.300 1 
       574  64  64 GLU CA   C  58.442 0.300 1 
       575  64  64 GLU CB   C  30.126 0.300 1 
       576  64  64 GLU CG   C  36.587 0.300 1 
       577  64  64 GLU N    N 121.992 0.300 1 
       578  65  65 ASP H    H   8.689 0.030 1 
       579  65  65 ASP HA   H   4.787 0.030 1 
       580  65  65 ASP HB2  H   3.035 0.030 2 
       581  65  65 ASP HB3  H   2.678 0.030 2 
       582  65  65 ASP C    C 176.710 0.300 1 
       583  65  65 ASP CA   C  52.994 0.300 1 
       584  65  65 ASP CB   C  40.813 0.300 1 
       585  65  65 ASP N    N 119.438 0.300 1 
       586  66  66 ARG H    H   8.624 0.030 1 
       587  66  66 ARG HA   H   4.592 0.030 1 
       588  66  66 ARG HB2  H   2.166 0.030 2 
       589  66  66 ARG HB3  H   1.596 0.030 2 
       590  66  66 ARG HD2  H   3.074 0.030 1 
       591  66  66 ARG HD3  H   3.074 0.030 1 
       592  66  66 ARG HG2  H   1.555 0.030 2 
       593  66  66 ARG HG3  H   1.341 0.030 2 
       594  66  66 ARG C    C 176.694 0.300 1 
       595  66  66 ARG CA   C  55.092 0.300 1 
       596  66  66 ARG CB   C  29.772 0.300 1 
       597  66  66 ARG CD   C  43.271 0.300 1 
       598  66  66 ARG CG   C  27.156 0.300 1 
       599  66  66 ARG N    N 124.795 0.300 1 
       600  67  67 GLY H    H   8.445 0.030 1 
       601  67  67 GLY HA2  H   3.944 0.030 2 
       602  67  67 GLY HA3  H   3.606 0.030 2 
       603  67  67 GLY C    C 172.338 0.300 1 
       604  67  67 GLY CA   C  44.637 0.300 1 
       605  67  67 GLY N    N 108.038 0.300 1 
       606  68  68 ARG H    H   8.204 0.030 1 
       607  68  68 ARG HA   H   4.644 0.030 1 
       608  68  68 ARG HB2  H   1.725 0.030 2 
       609  68  68 ARG HB3  H   1.518 0.030 2 
       610  68  68 ARG HD2  H   2.719 0.030 1 
       611  68  68 ARG HD3  H   2.719 0.030 1 
       612  68  68 ARG HE   H   6.548 0.030 1 
       613  68  68 ARG HG2  H   1.233 0.030 1 
       614  68  68 ARG HG3  H   1.233 0.030 1 
       615  68  68 ARG C    C 176.109 0.300 1 
       616  68  68 ARG CA   C  55.639 0.300 1 
       617  68  68 ARG CB   C  30.703 0.300 1 
       618  68  68 ARG CD   C  42.955 0.300 1 
       619  68  68 ARG CG   C  28.024 0.300 1 
       620  68  68 ARG N    N 121.766 0.300 1 
       621  68  68 ARG NE   N  83.652 0.300 1 
       622  69  69 HIS H    H   8.937 0.030 1 
       623  69  69 HIS HA   H   4.631 0.030 1 
       624  69  69 HIS HB2  H   2.615 0.030 2 
       625  69  69 HIS HB3  H   1.542 0.030 2 
       626  69  69 HIS HD2  H   6.964 0.030 1 
       627  69  69 HIS C    C 173.112 0.300 1 
       628  69  69 HIS CA   C  54.529 0.300 1 
       629  69  69 HIS CB   C  31.119 0.300 1 
       630  69  69 HIS CD2  C 120.455 0.300 1 
       631  69  69 HIS N    N 127.148 0.300 1 
       632  70  70 VAL H    H   8.404 0.030 1 
       633  70  70 VAL HA   H   4.865 0.030 1 
       634  70  70 VAL HB   H   1.815 0.030 1 
       635  70  70 VAL HG1  H   0.765 0.030 1 
       636  70  70 VAL HG2  H   0.765 0.030 1 
       637  70  70 VAL C    C 175.831 0.300 1 
       638  70  70 VAL CA   C  61.281 0.300 1 
       639  70  70 VAL CB   C  35.277 0.300 1 
       640  70  70 VAL CG1  C  21.184 0.300 2 
       641  70  70 VAL CG2  C  21.184 0.300 2 
       642  70  70 VAL N    N 119.608 0.300 1 
       643  71  71 VAL H    H   9.651 0.030 1 
       644  71  71 VAL HA   H   4.177 0.030 1 
       645  71  71 VAL HB   H   1.946 0.030 1 
       646  71  71 VAL HG1  H   1.128 0.030 1 
       647  71  71 VAL HG2  H   0.752 0.030 1 
       648  71  71 VAL C    C 173.845 0.300 1 
       649  71  71 VAL CA   C  62.145 0.300 1 
       650  71  71 VAL CB   C  32.927 0.300 1 
       651  71  71 VAL CG1  C  20.513 0.300 2 
       652  71  71 VAL CG2  C  21.048 0.300 2 
       653  71  71 VAL N    N 130.614 0.300 1 
       654  72  72 ASP H    H   8.167 0.030 1 
       655  72  72 ASP HA   H   4.839 0.030 1 
       656  72  72 ASP HB2  H   2.521 0.030 2 
       657  72  72 ASP HB3  H   2.395 0.030 2 
       658  72  72 ASP C    C 176.302 0.300 1 
       659  72  72 ASP CA   C  51.671 0.300 1 
       660  72  72 ASP CB   C  43.147 0.300 1 
       661  72  72 ASP N    N 124.911 0.300 1 
       662  73  73 GLY H    H   8.374 0.030 1 
       663  73  73 GLY HA2  H   3.723 0.030 2 
       664  73  73 GLY HA3  H   3.464 0.030 2 
       665  73  73 GLY C    C 174.877 0.300 1 
       666  73  73 GLY CA   C  46.329 0.300 1 
       667  73  73 GLY N    N 104.865 0.300 1 
       668  74  74 ILE H    H   7.409 0.030 1 
       669  74  74 ILE HA   H   3.421 0.030 1 
       670  74  74 ILE HB   H   1.553 0.030 1 
       671  74  74 ILE HD1  H  -0.065 0.030 1 
       672  74  74 ILE HG12 H   0.516 0.030 2 
       673  74  74 ILE HG13 H  -1.005 0.030 2 
       674  74  74 ILE HG2  H   0.999 0.030 1 
       675  74  74 ILE C    C 176.211 0.300 1 
       676  74  74 ILE CA   C  61.652 0.300 1 
       677  74  74 ILE CB   C  37.669 0.300 1 
       678  74  74 ILE CD1  C  14.282 0.300 1 
       679  74  74 ILE CG1  C  26.107 0.300 1 
       680  74  74 ILE CG2  C  16.837 0.300 1 
       681  74  74 ILE N    N 122.105 0.300 1 
       682  75  75 SER H    H   8.510 0.030 1 
       683  75  75 SER HA   H   4.463 0.030 1 
       684  75  75 SER HB2  H   4.307 0.030 2 
       685  75  75 SER HB3  H   4.038 0.030 2 
       686  75  75 SER C    C 175.389 0.300 1 
       687  75  75 SER CA   C  59.570 0.300 1 
       688  75  75 SER CB   C  64.009 0.300 1 
       689  75  75 SER N    N 123.210 0.300 1 
       690  76  76 ARG H    H   8.273 0.030 1 
       691  76  76 ARG HA   H   4.315 0.030 1 
       692  76  76 ARG HB2  H   1.982 0.030 2 
       693  76  76 ARG HB3  H   1.578 0.030 2 
       694  76  76 ARG HD2  H   3.297 0.030 1 
       695  76  76 ARG HD3  H   3.297 0.030 1 
       696  76  76 ARG HG2  H   1.812 0.030 2 
       697  76  76 ARG HG3  H   1.538 0.030 2 
       698  76  76 ARG C    C 175.646 0.300 1 
       699  76  76 ARG CA   C  57.967 0.300 1 
       700  76  76 ARG CB   C  29.508 0.300 1 
       701  76  76 ARG CD   C  43.271 0.300 1 
       702  76  76 ARG CG   C  25.634 0.300 1 
       703  76  76 ARG N    N 118.273 0.300 1 
       704  77  77 GLU H    H   8.595 0.030 1 
       705  77  77 GLU HA   H   4.363 0.030 1 
       706  77  77 GLU HB2  H   2.075 0.030 2 
       707  77  77 GLU HB3  H   1.777 0.030 2 
       708  77  77 GLU HG2  H   2.199 0.030 2 
       709  77  77 GLU HG3  H   2.101 0.030 2 
       710  77  77 GLU C    C 177.088 0.300 1 
       711  77  77 GLU CA   C  56.856 0.300 1 
       712  77  77 GLU CB   C  29.311 0.300 1 
       713  77  77 GLU CG   C  36.183 0.300 1 
       714  77  77 GLU N    N 119.303 0.300 1 
       715  78  78 HIS H    H   8.196 0.030 1 
       716  78  78 HIS HA   H   4.564 0.030 1 
       717  78  78 HIS HB2  H   3.574 0.030 2 
       718  78  78 HIS HB3  H   3.370 0.030 2 
       719  78  78 HIS HD2  H   7.587 0.030 1 
       720  78  78 HIS C    C 174.760 0.300 1 
       721  78  78 HIS CA   C  57.772 0.300 1 
       722  78  78 HIS CB   C  31.715 0.300 1 
       723  78  78 HIS CD2  C 120.986 0.300 1 
       724  78  78 HIS N    N 120.909 0.300 1 
       725  79  79 SER H    H   8.501 0.030 1 
       726  79  79 SER HA   H   3.279 0.030 1 
       727  79  79 SER HB2  H   3.787 0.030 2 
       728  79  79 SER HB3  H   3.471 0.030 2 
       729  79  79 SER C    C 171.109 0.300 1 
       730  79  79 SER CA   C  56.115 0.300 1 
       731  79  79 SER CB   C  64.215 0.300 1 
       732  79  79 SER N    N 113.284 0.300 1 
       733  80  80 SER H    H   7.010 0.030 1 
       734  80  80 SER HA   H   4.891 0.030 1 
       735  80  80 SER HB2  H   3.495 0.030 1 
       736  80  80 SER HB3  H   3.495 0.030 1 
       737  80  80 SER C    C 173.025 0.300 1 
       738  80  80 SER CA   C  56.768 0.300 1 
       739  80  80 SER CB   C  66.033 0.300 1 
       740  80  80 SER N    N 112.581 0.300 1 
       741  81  81 TRP H    H   9.470 0.030 1 
       742  81  81 TRP HA   H   4.567 0.030 1 
       743  81  81 TRP HB2  H   3.526 0.030 2 
       744  81  81 TRP HB3  H   2.893 0.030 2 
       745  81  81 TRP HD1  H   6.644 0.030 1 
       746  81  81 TRP HE1  H  10.094 0.030 1 
       747  81  81 TRP HE3  H   6.622 0.030 1 
       748  81  81 TRP HH2  H   7.189 0.030 1 
       749  81  81 TRP HZ2  H   7.477 0.030 1 
       750  81  81 TRP HZ3  H   7.748 0.030 1 
       751  81  81 TRP C    C 173.270 0.300 1 
       752  81  81 TRP CA   C  57.631 0.300 1 
       753  81  81 TRP CB   C  34.170 0.300 1 
       754  81  81 TRP CD1  C 125.876 0.300 1 
       755  81  81 TRP CE3  C 121.623 0.300 1 
       756  81  81 TRP CH2  C 124.534 0.300 1 
       757  81  81 TRP CZ2  C 114.698 0.300 1 
       758  81  81 TRP CZ3  C 121.607 0.300 1 
       759  81  81 TRP N    N 121.558 0.300 1 
       760  81  81 TRP NE1  N 128.794 0.300 1 
       761  82  82 ASP H    H   7.134 0.030 1 
       762  82  82 ASP HA   H   5.295 0.030 1 
       763  82  82 ASP HB2  H   2.094 0.030 2 
       764  82  82 ASP HB3  H   1.832 0.030 2 
       765  82  82 ASP C    C 174.795 0.300 1 
       766  82  82 ASP CA   C  52.805 0.300 1 
       767  82  82 ASP CB   C  39.658 0.300 1 
       768  82  82 ASP N    N 126.697 0.300 1 
       769  83  83 LEU H    H   9.201 0.030 1 
       770  83  83 LEU HA   H   4.462 0.030 1 
       771  83  83 LEU HB2  H   1.590 0.030 2 
       772  83  83 LEU HB3  H   0.756 0.030 2 
       773  83  83 LEU HD1  H   0.283 0.030 1 
       774  83  83 LEU HD2  H   0.798 0.030 1 
       775  83  83 LEU HG   H   1.606 0.030 1 
       776  83  83 LEU C    C 175.306 0.300 1 
       777  83  83 LEU CA   C  53.584 0.300 1 
       778  83  83 LEU CB   C  42.219 0.300 1 
       779  83  83 LEU CD1  C  24.508 0.300 2 
       780  83  83 LEU CD2  C  22.718 0.300 2 
       781  83  83 LEU CG   C  26.234 0.300 1 
       782  83  83 LEU N    N 125.249 0.300 1 
       783  84  84 VAL H    H   7.585 0.030 1 
       784  84  84 VAL HA   H   4.852 0.030 1 
       785  84  84 VAL HB   H   2.141 0.030 1 
       786  84  84 VAL HG1  H   0.730 0.030 1 
       787  84  84 VAL HG2  H   0.762 0.030 1 
       788  84  84 VAL C    C 176.618 0.300 1 
       789  84  84 VAL CA   C  59.113 0.300 1 
       790  84  84 VAL CB   C  34.122 0.300 1 
       791  84  84 VAL CG1  C  21.339 0.300 2 
       792  84  84 VAL CG2  C  17.899 0.300 2 
       793  84  84 VAL N    N 114.687 0.300 1 
       794  85  85 GLY H    H   8.820 0.030 1 
       795  85  85 GLY HA2  H   3.812 0.030 1 
       796  85  85 GLY HA3  H   3.812 0.030 1 
       797  85  85 GLY C    C 175.340 0.300 1 
       798  85  85 GLY CA   C  46.294 0.300 1 
       799  85  85 GLY N    N 108.894 0.300 1 
       800  86  86 LEU H    H   8.263 0.030 1 
       801  86  86 LEU HA   H   4.174 0.030 1 
       802  86  86 LEU HB2  H   1.363 0.030 2 
       803  86  86 LEU HB3  H   0.999 0.030 2 
       804  86  86 LEU HD1  H  -0.155 0.030 1 
       805  86  86 LEU HD2  H  -0.194 0.030 1 
       806  86  86 LEU HG   H   0.909 0.030 1 
       807  86  86 LEU C    C 175.444 0.300 1 
       808  86  86 LEU CA   C  53.805 0.300 1 
       809  86  86 LEU CB   C  40.799 0.300 1 
       810  86  86 LEU CD1  C  25.560 0.300 2 
       811  86  86 LEU CD2  C  20.543 0.300 2 
       812  86  86 LEU CG   C  26.475 0.300 1 
       813  86  86 LEU N    N 119.630 0.300 1 
       814  87  87 GLU H    H   8.378 0.030 1 
       815  87  87 GLU HA   H   4.307 0.030 1 
       816  87  87 GLU HB2  H   2.174 0.030 2 
       817  87  87 GLU HB3  H   2.004 0.030 2 
       818  87  87 GLU HG2  H   2.461 0.030 2 
       819  87  87 GLU HG3  H   2.359 0.030 2 
       820  87  87 GLU C    C 176.285 0.300 1 
       821  87  87 GLU CA   C  55.991 0.300 1 
       822  87  87 GLU CB   C  31.402 0.300 1 
       823  87  87 GLU CG   C  37.274 0.300 1 
       824  87  87 GLU N    N 118.306 0.300 1 
       825  88  88 LYS H    H   8.256 0.030 1 
       826  88  88 LYS HA   H   4.969 0.030 1 
       827  88  88 LYS HB2  H   1.741 0.030 2 
       828  88  88 LYS HB3  H   1.601 0.030 2 
       829  88  88 LYS HD2  H   1.592 0.030 1 
       830  88  88 LYS HD3  H   1.592 0.030 1 
       831  88  88 LYS HE2  H   2.855 0.030 1 
       832  88  88 LYS HE3  H   2.855 0.030 1 
       833  88  88 LYS HG2  H   1.422 0.030 2 
       834  88  88 LYS HG3  H   1.290 0.030 2 
       835  88  88 LYS C    C 177.687 0.300 1 
       836  88  88 LYS CA   C  56.380 0.300 1 
       837  88  88 LYS CB   C  33.422 0.300 1 
       838  88  88 LYS CD   C  29.916 0.300 1 
       839  88  88 LYS CE   C  42.076 0.300 1 
       840  88  88 LYS CG   C  24.975 0.300 1 
       841  88  88 LYS N    N 120.459 0.300 1 
       842  89  89 TRP H    H   8.076 0.030 1 
       843  89  89 TRP HA   H   4.438 0.030 1 
       844  89  89 TRP HB2  H   3.649 0.030 2 
       845  89  89 TRP HB3  H   2.724 0.030 2 
       846  89  89 TRP HD1  H   7.317 0.030 1 
       847  89  89 TRP HE1  H  10.062 0.030 1 
       848  89  89 TRP HE3  H   7.130 0.030 1 
       849  89  89 TRP HH2  H   7.146 0.030 1 
       850  89  89 TRP HZ2  H   7.379 0.030 1 
       851  89  89 TRP HZ3  H   7.735 0.030 1 
       852  89  89 TRP C    C 175.110 0.300 1 
       853  89  89 TRP CA   C  56.943 0.300 1 
       854  89  89 TRP CB   C  28.839 0.300 1 
       855  89  89 TRP CD1  C 126.464 0.300 1 
       856  89  89 TRP CE3  C 121.734 0.300 1 
       857  89  89 TRP CH2  C 124.488 0.300 1 
       858  89  89 TRP CZ2  C 114.349 0.300 1 
       859  89  89 TRP CZ3  C 121.719 0.300 1 
       860  89  89 TRP N    N 130.532 0.300 1 
       861  89  89 TRP NE1  N 128.367 0.300 1 
       862  90  90 THR H    H   8.296 0.030 1 
       863  90  90 THR HA   H   4.283 0.030 1 
       864  90  90 THR HB   H   3.727 0.030 1 
       865  90  90 THR HG2  H   0.726 0.030 1 
       866  90  90 THR C    C 171.345 0.300 1 
       867  90  90 THR CA   C  62.939 0.300 1 
       868  90  90 THR CB   C  71.945 0.300 1 
       869  90  90 THR CG2  C  19.865 0.300 1 
       870  90  90 THR N    N 117.075 0.300 1 
       871  91  91 GLU H    H   9.403 0.030 1 
       872  91  91 GLU HA   H   4.865 0.030 1 
       873  91  91 GLU HB2  H   1.832 0.030 2 
       874  91  91 GLU HB3  H   1.503 0.030 2 
       875  91  91 GLU HG2  H   1.849 0.030 1 
       876  91  91 GLU HG3  H   1.849 0.030 1 
       877  91  91 GLU C    C 174.179 0.300 1 
       878  91  91 GLU CA   C  55.251 0.300 1 
       879  91  91 GLU CB   C  31.898 0.300 1 
       880  91  91 GLU CG   C  38.326 0.300 1 
       881  91  91 GLU N    N 130.017 0.300 1 
       882  92  92 TYR H    H   9.563 0.030 1 
       883  92  92 TYR HA   H   4.982 0.030 1 
       884  92  92 TYR HB2  H   2.638 0.030 2 
       885  92  92 TYR HB3  H   2.478 0.030 2 
       886  92  92 TYR HD1  H   6.985 0.030 1 
       887  92  92 TYR HD2  H   6.985 0.030 1 
       888  92  92 TYR HE1  H   6.875 0.030 1 
       889  92  92 TYR HE2  H   6.875 0.030 1 
       890  92  92 TYR C    C 174.485 0.300 1 
       891  92  92 TYR CA   C  57.966 0.300 1 
       892  92  92 TYR CB   C  42.488 0.300 1 
       893  92  92 TYR CD1  C 132.627 0.300 1 
       894  92  92 TYR CD2  C 132.627 0.300 1 
       895  92  92 TYR CE1  C 118.819 0.300 1 
       896  92  92 TYR CE2  C 118.819 0.300 1 
       897  92  92 TYR N    N 124.584 0.300 1 
       898  93  93 ARG H    H   8.696 0.030 1 
       899  93  93 ARG HA   H   4.683 0.030 1 
       900  93  93 ARG HB2  H   1.269 0.030 2 
       901  93  93 ARG HB3  H   0.711 0.030 2 
       902  93  93 ARG HD2  H   3.034 0.030 2 
       903  93  93 ARG HD3  H   2.907 0.030 2 
       904  93  93 ARG HG2  H   1.142 0.030 2 
       905  93  93 ARG HG3  H   0.767 0.030 2 
       906  93  93 ARG C    C 175.567 0.300 1 
       907  93  93 ARG CA   C  55.004 0.300 1 
       908  93  93 ARG CB   C  33.217 0.300 1 
       909  93  93 ARG CD   C  43.926 0.300 1 
       910  93  93 ARG CG   C  28.698 0.300 1 
       911  93  93 ARG N    N 119.072 0.300 1 
       912  94  94 VAL H    H   8.297 0.030 1 
       913  94  94 VAL HA   H   5.082 0.030 1 
       914  94  94 VAL HB   H   1.694 0.030 1 
       915  94  94 VAL HG1  H   0.830 0.030 1 
       916  94  94 VAL HG2  H   0.697 0.030 1 
       917  94  94 VAL C    C 174.997 0.300 1 
       918  94  94 VAL CA   C  61.264 0.300 1 
       919  94  94 VAL CB   C  35.524 0.300 1 
       920  94  94 VAL CG1  C  21.886 0.300 2 
       921  94  94 VAL CG2  C  20.890 0.300 2 
       922  94  94 VAL N    N 120.896 0.300 1 
       923  95  95 TRP H    H   9.513 0.030 1 
       924  95  95 TRP HA   H   4.657 0.030 1 
       925  95  95 TRP HB2  H   2.983 0.030 1 
       926  95  95 TRP HB3  H   2.983 0.030 1 
       927  95  95 TRP HD1  H   7.745 0.030 1 
       928  95  95 TRP HE1  H  10.181 0.030 1 
       929  95  95 TRP HE3  H   6.668 0.030 1 
       930  95  95 TRP HH2  H   7.089 0.030 1 
       931  95  95 TRP HZ2  H   7.307 0.030 1 
       932  95  95 TRP HZ3  H   7.519 0.030 1 
       933  95  95 TRP C    C 175.041 0.300 1 
       934  95  95 TRP CA   C  57.613 0.300 1 
       935  95  95 TRP CB   C  35.524 0.300 1 
       936  95  95 TRP CD1  C 129.108 0.300 1 
       937  95  95 TRP CE3  C 121.494 0.300 1 
       938  95  95 TRP CH2  C 123.984 0.300 1 
       939  95  95 TRP CZ2  C 113.834 0.300 1 
       940  95  95 TRP CZ3  C 121.555 0.300 1 
       941  95  95 TRP N    N 125.615 0.300 1 
       942  95  95 TRP NE1  N 129.715 0.300 1 
       943  96  96 VAL H    H   8.699 0.030 1 
       944  96  96 VAL HA   H   4.917 0.030 1 
       945  96  96 VAL HB   H   1.386 0.030 1 
       946  96  96 VAL HG1  H   0.678 0.030 1 
       947  96  96 VAL HG2  H   0.012 0.030 1 
       948  96  96 VAL C    C 174.109 0.300 1 
       949  96  96 VAL CA   C  60.911 0.300 1 
       950  96  96 VAL CB   C  34.695 0.300 1 
       951  96  96 VAL CG1  C  22.832 0.300 2 
       952  96  96 VAL CG2  C  20.030 0.300 2 
       953  96  96 VAL N    N 121.627 0.300 1 
       954  97  97 ARG H    H   8.859 0.030 1 
       955  97  97 ARG HA   H   4.722 0.030 1 
       956  97  97 ARG HB2  H   1.690 0.030 2 
       957  97  97 ARG HB3  H   1.390 0.030 2 
       958  97  97 ARG HD2  H   2.881 0.030 1 
       959  97  97 ARG HD3  H   2.881 0.030 1 
       960  97  97 ARG HE   H   7.063 0.030 1 
       961  97  97 ARG HG2  H   1.581 0.030 2 
       962  97  97 ARG HG3  H   1.084 0.030 2 
       963  97  97 ARG C    C 172.756 0.300 1 
       964  97  97 ARG CA   C  54.457 0.300 1 
       965  97  97 ARG CB   C  34.677 0.300 1 
       966  97  97 ARG CD   C  44.240 0.300 1 
       967  97  97 ARG CG   C  24.304 0.300 1 
       968  97  97 ARG N    N 123.714 0.300 1 
       969  97  97 ARG NE   N  81.898 0.300 1 
       970  98  98 ALA H    H   8.767 0.030 1 
       971  98  98 ALA HA   H   4.788 0.030 1 
       972  98  98 ALA HB   H   1.283 0.030 1 
       973  98  98 ALA C    C 175.562 0.300 1 
       974  98  98 ALA CA   C  50.156 0.300 1 
       975  98  98 ALA CB   C  22.038 0.300 1 
       976  98  98 ALA N    N 123.523 0.300 1 
       977  99  99 HIS H    H   8.302 0.030 1 
       978  99  99 HIS HA   H   4.960 0.030 1 
       979  99  99 HIS HB2  H   2.886 0.030 2 
       980  99  99 HIS HB3  H   2.675 0.030 2 
       981  99  99 HIS HE1  H   7.536 0.030 1 
       982  99  99 HIS C    C 175.609 0.300 1 
       983  99  99 HIS CA   C  54.812 0.300 1 
       984  99  99 HIS CB   C  32.722 0.300 1 
       985  99  99 HIS CE1  C 137.651 0.300 1 
       986  99  99 HIS N    N 117.930 0.300 1 
       987 100 100 THR H    H   7.987 0.030 1 
       988 100 100 THR HA   H   5.150 0.030 1 
       989 100 100 THR HB   H   4.618 0.030 1 
       990 100 100 THR HG2  H   1.008 0.030 1 
       991 100 100 THR C    C 175.931 0.300 1 
       992 100 100 THR CA   C  60.118 0.300 1 
       993 100 100 THR CB   C  72.611 0.300 1 
       994 100 100 THR CG2  C  21.184 0.300 1 
       995 100 100 THR N    N 110.165 0.300 1 
       996 101 101 ASP H    H   9.387 0.030 1 
       997 101 101 ASP HA   H   4.333 0.030 1 
       998 101 101 ASP HB2  H   2.648 0.030 1 
       999 101 101 ASP HB3  H   2.648 0.030 1 
      1000 101 101 ASP C    C 177.225 0.300 1 
      1001 101 101 ASP CA   C  56.732 0.300 1 
      1002 101 101 ASP CB   C  40.204 0.300 1 
      1003 101 101 ASP N    N 119.322 0.300 1 
      1004 102 102 VAL H    H   7.579 0.030 1 
      1005 102 102 VAL HA   H   3.962 0.030 1 
      1006 102 102 VAL HB   H   1.802 0.030 1 
      1007 102 102 VAL HG1  H   0.820 0.030 1 
      1008 102 102 VAL HG2  H   0.816 0.030 1 
      1009 102 102 VAL C    C 176.175 0.300 1 
      1010 102 102 VAL CA   C  63.397 0.300 1 
      1011 102 102 VAL CB   C  32.268 0.300 1 
      1012 102 102 VAL CG1  C  21.446 0.300 2 
      1013 102 102 VAL CG2  C  21.678 0.300 2 
      1014 102 102 VAL N    N 114.993 0.300 1 
      1015 103 103 GLY H    H   7.272 0.030 1 
      1016 103 103 GLY HA2  H   4.428 0.030 2 
      1017 103 103 GLY HA3  H   3.978 0.030 2 
      1018 103 103 GLY C    C 170.611 0.300 1 
      1019 103 103 GLY CA   C  45.040 0.300 1 
      1020 103 103 GLY N    N 107.959 0.300 1 
      1021 104 104 PRO HA   H   4.146 0.030 1 
      1022 104 104 PRO HB2  H   2.288 0.030 2 
      1023 104 104 PRO HB3  H   1.863 0.030 2 
      1024 104 104 PRO HD2  H   3.555 0.030 1 
      1025 104 104 PRO HD3  H   3.555 0.030 1 
      1026 104 104 PRO HG2  H   1.984 0.030 1 
      1027 104 104 PRO HG3  H   1.984 0.030 1 
      1028 104 104 PRO CA   C  62.420 0.300 1 
      1029 104 104 PRO CB   C  30.841 0.300 1 
      1030 104 104 PRO CD   C  49.764 0.300 1 
      1031 104 104 PRO CG   C  27.167 0.300 1 
      1032 105 105 GLY H    H   8.626 0.030 1 
      1033 105 105 GLY HA2  H   4.346 0.030 2 
      1034 105 105 GLY HA3  H   3.735 0.030 2 
      1035 105 105 GLY CA   C  44.124 0.300 1 
      1036 105 105 GLY N    N 109.972 0.300 1 
      1037 106 106 PRO HA   H   4.374 0.030 1 
      1038 106 106 PRO HB2  H   2.218 0.030 2 
      1039 106 106 PRO HB3  H   1.682 0.030 2 
      1040 106 106 PRO HD2  H   3.450 0.030 2 
      1041 106 106 PRO HD3  H   3.176 0.030 2 
      1042 106 106 PRO HG2  H   1.829 0.030 2 
      1043 106 106 PRO HG3  H   1.489 0.030 2 
      1044 106 106 PRO C    C 177.163 0.300 1 
      1045 106 106 PRO CA   C  62.413 0.300 1 
      1046 106 106 PRO CB   C  32.201 0.300 1 
      1047 106 106 PRO CD   C  49.479 0.300 1 
      1048 106 106 PRO CG   C  26.953 0.300 1 
      1049 107 107 GLU H    H   8.558 0.030 1 
      1050 107 107 GLU HA   H   4.512 0.030 1 
      1051 107 107 GLU HB2  H   2.062 0.030 2 
      1052 107 107 GLU HB3  H   1.870 0.030 2 
      1053 107 107 GLU HG2  H   2.066 0.030 2 
      1054 107 107 GLU HG3  H   1.983 0.030 2 
      1055 107 107 GLU C    C 177.313 0.300 1 
      1056 107 107 GLU CA   C  55.727 0.300 1 
      1057 107 107 GLU CB   C  31.839 0.300 1 
      1058 107 107 GLU CG   C  37.499 0.300 1 
      1059 107 107 GLU N    N 119.511 0.300 1 
      1060 108 108 SER H    H   8.907 0.030 1 
      1061 108 108 SER HA   H   4.181 0.030 1 
      1062 108 108 SER HB2  H   4.366 0.030 2 
      1063 108 108 SER HB3  H   3.911 0.030 2 
      1064 108 108 SER C    C 173.751 0.300 1 
      1065 108 108 SER CA   C  58.513 0.300 1 
      1066 108 108 SER CB   C  64.905 0.300 1 
      1067 108 108 SER N    N 115.790 0.300 1 
      1068 109 109 SER H    H   8.549 0.030 1 
      1069 109 109 SER HA   H   4.176 0.030 1 
      1070 109 109 SER HB2  H   4.017 0.030 2 
      1071 109 109 SER HB3  H   3.914 0.030 2 
      1072 109 109 SER C    C 174.132 0.300 1 
      1073 109 109 SER CA   C  58.512 0.300 1 
      1074 109 109 SER CB   C  62.198 0.300 1 
      1075 109 109 SER N    N 116.448 0.300 1 
      1076 110 110 PRO HA   H   4.053 0.030 1 
      1077 110 110 PRO HB2  H   0.973 0.030 2 
      1078 110 110 PRO HB3  H   0.646 0.030 2 
      1079 110 110 PRO HD2  H   3.907 0.030 2 
      1080 110 110 PRO HD3  H   3.464 0.030 2 
      1081 110 110 PRO HG2  H   2.037 0.030 2 
      1082 110 110 PRO HG3  H   1.980 0.030 2 
      1083 110 110 PRO C    C 176.816 0.300 1 
      1084 110 110 PRO CA   C  62.621 0.300 1 
      1085 110 110 PRO CB   C  30.828 0.300 1 
      1086 110 110 PRO CD   C  50.425 0.300 1 
      1087 110 110 PRO CG   C  27.080 0.300 1 
      1088 111 111 VAL H    H   8.290 0.030 1 
      1089 111 111 VAL HA   H   4.177 0.030 1 
      1090 111 111 VAL HB   H   1.792 0.030 1 
      1091 111 111 VAL HG1  H   0.895 0.030 1 
      1092 111 111 VAL HG2  H   0.843 0.030 1 
      1093 111 111 VAL C    C 174.023 0.300 1 
      1094 111 111 VAL CA   C  60.805 0.300 1 
      1095 111 111 VAL CB   C  34.988 0.300 1 
      1096 111 111 VAL CG1  C  22.909 0.300 2 
      1097 111 111 VAL CG2  C  21.761 0.300 2 
      1098 111 111 VAL N    N 122.075 0.300 1 
      1099 112 112 LEU H    H   8.107 0.030 1 
      1100 112 112 LEU HA   H   5.487 0.030 1 
      1101 112 112 LEU HB2  H   1.526 0.030 2 
      1102 112 112 LEU HB3  H   1.363 0.030 2 
      1103 112 112 LEU HD1  H   0.753 0.030 1 
      1104 112 112 LEU HD2  H   0.651 0.030 1 
      1105 112 112 LEU HG   H   1.456 0.030 1 
      1106 112 112 LEU C    C 177.073 0.300 1 
      1107 112 112 LEU CA   C  53.447 0.300 1 
      1108 112 112 LEU CB   C  43.992 0.300 1 
      1109 112 112 LEU CD1  C  25.176 0.300 2 
      1110 112 112 LEU CD2  C  24.379 0.300 2 
      1111 112 112 LEU CG   C  27.607 0.300 1 
      1112 112 112 LEU N    N 125.142 0.300 1 
      1113 113 113 VAL H    H   8.963 0.030 1 
      1114 113 113 VAL HA   H   4.447 0.030 1 
      1115 113 113 VAL HB   H   1.793 0.030 1 
      1116 113 113 VAL HG1  H   0.734 0.030 1 
      1117 113 113 VAL HG2  H   0.743 0.030 1 
      1118 113 113 VAL C    C 170.095 0.300 1 
      1119 113 113 VAL CA   C  59.694 0.300 1 
      1120 113 113 VAL CB   C  34.618 0.300 1 
      1121 113 113 VAL CG1  C  21.266 0.300 2 
      1122 113 113 VAL CG2  C  19.114 0.300 2 
      1123 113 113 VAL N    N 122.211 0.300 1 
      1124 114 114 ARG H    H   8.349 0.030 1 
      1125 114 114 ARG HA   H   5.449 0.030 1 
      1126 114 114 ARG HB2  H   1.573 0.030 2 
      1127 114 114 ARG HB3  H   1.412 0.030 2 
      1128 114 114 ARG HD2  H   2.451 0.030 2 
      1129 114 114 ARG HD3  H   2.101 0.030 2 
      1130 114 114 ARG HE   H   6.426 0.030 1 
      1131 114 114 ARG HG2  H   1.812 0.030 2 
      1132 114 114 ARG HG3  H   0.939 0.030 2 
      1133 114 114 ARG C    C 176.979 0.300 1 
      1134 114 114 ARG CA   C  53.717 0.300 1 
      1135 114 114 ARG CB   C  33.217 0.300 1 
      1136 114 114 ARG CD   C  42.535 0.300 1 
      1137 114 114 ARG CG   C  27.215 0.300 1 
      1138 114 114 ARG N    N 128.874 0.300 1 
      1139 114 114 ARG NE   N  82.684 0.300 1 
      1140 115 115 THR H    H   8.613 0.030 1 
      1141 115 115 THR HA   H   4.423 0.030 1 
      1142 115 115 THR HB   H   4.618 0.030 1 
      1143 115 115 THR HG2  H   1.055 0.030 1 
      1144 115 115 THR C    C 174.686 0.300 1 
      1145 115 115 THR CA   C  61.307 0.300 1 
      1146 115 115 THR CB   C  69.387 0.300 1 
      1147 115 115 THR CG2  C  24.150 0.300 1 
      1148 115 115 THR N    N 116.779 0.300 1 
      1149 116 116 ASP H    H   7.341 0.030 1 
      1150 116 116 ASP HA   H   4.601 0.030 1 
      1151 116 116 ASP HB2  H   2.839 0.030 2 
      1152 116 116 ASP HB3  H   2.147 0.030 2 
      1153 116 116 ASP C    C 175.878 0.300 1 
      1154 116 116 ASP CA   C  54.599 0.300 1 
      1155 116 116 ASP CB   C  41.690 0.300 1 
      1156 116 116 ASP N    N 117.889 0.300 1 
      1157 117 117 GLU H    H   8.228 0.030 1 
      1158 117 117 GLU HA   H   4.089 0.030 1 
      1159 117 117 GLU HB2  H   1.637 0.030 2 
      1160 117 117 GLU HB3  H   1.460 0.030 2 
      1161 117 117 GLU HG2  H   1.691 0.030 1 
      1162 117 117 GLU HG3  H   1.691 0.030 1 
      1163 117 117 GLU C    C 176.284 0.300 1 
      1164 117 117 GLU CA   C  56.238 0.300 1 
      1165 117 117 GLU CB   C  30.946 0.300 1 
      1166 117 117 GLU CG   C  35.914 0.300 1 
      1167 117 117 GLU N    N 117.554 0.300 1 
      1168 118 118 ASP H    H   8.596 0.030 1 
      1169 118 118 ASP HA   H   4.580 0.030 1 
      1170 118 118 ASP HB2  H   2.662 0.030 2 
      1171 118 118 ASP HB3  H   2.456 0.030 2 
      1172 118 118 ASP C    C 175.625 0.300 1 
      1173 118 118 ASP CA   C  54.147 0.300 1 
      1174 118 118 ASP CB   C  41.864 0.300 1 
      1175 118 118 ASP N    N 121.875 0.300 1 
      1176 119 119 VAL H    H   8.059 0.030 1 
      1177 119 119 VAL HA   H   4.347 0.030 1 
      1178 119 119 VAL HB   H   2.003 0.030 1 
      1179 119 119 VAL HG1  H   0.880 0.030 1 
      1180 119 119 VAL HG2  H   0.840 0.030 1 
      1181 119 119 VAL C    C 174.351 0.300 1 
      1182 119 119 VAL CA   C  59.655 0.300 1 
      1183 119 119 VAL CB   C  32.804 0.300 1 
      1184 119 119 VAL CG1  C  21.083 0.300 2 
      1185 119 119 VAL CG2  C  20.132 0.300 2 
      1186 119 119 VAL N    N 121.676 0.300 1 
      1187 120 120 PRO HA   H   4.390 0.030 1 
      1188 120 120 PRO HB2  H   2.272 0.030 2 
      1189 120 120 PRO HB3  H   1.878 0.030 2 
      1190 120 120 PRO HD2  H   3.765 0.030 2 
      1191 120 120 PRO HD3  H   3.615 0.030 2 
      1192 120 120 PRO HG2  H   1.988 0.030 2 
      1193 120 120 PRO HG3  H   1.864 0.030 2 
      1194 120 120 PRO CA   C  63.198 0.300 1 
      1195 120 120 PRO CB   C  32.008 0.300 1 
      1196 120 120 PRO CD   C  50.906 0.300 1 
      1197 120 120 PRO CG   C  27.469 0.300 1 
      1198 121 121 SER H    H   8.419 0.030 1 
      1199 121 121 SER HA   H   4.406 0.030 1 
      1200 121 121 SER HB2  H   3.845 0.030 2 
      1201 121 121 SER CA   C  59.189 0.300 1 
      1202 121 121 SER CB   C  64.788 0.300 1 
      1203 121 121 SER N    N 116.462 0.300 1 
      1204 122 122 GLY H    H   8.165 0.030 1 
      1205 122 122 GLY HA2  H   4.056 0.030 1 
      1206 122 122 GLY HA3  H   4.056 0.030 1 
      1207 122 122 GLY CA   C  44.575 0.300 1 
      1208 122 122 GLY N    N 110.687 0.300 1 
      1209 123 123 PRO HA   H   4.660 0.030 1 
      1210 123 123 PRO HB2  H   1.584 0.030 1 
      1211 123 123 PRO HB3  H   1.584 0.030 1 
      1212 123 123 PRO HD2  H   4.153 0.030 2 
      1213 123 123 PRO HD3  H   3.580 0.030 2 
      1214 123 123 PRO HG2  H   1.934 0.030 2 
      1215 123 123 PRO HG3  H   1.884 0.030 2 
      1216 123 123 PRO CA   C  61.420 0.300 1 
      1217 123 123 PRO CB   C  32.011 0.300 1 
      1218 123 123 PRO CD   C  49.709 0.300 1 
      1219 123 123 PRO CG   C  26.376 0.300 1 
      1220 124 124 PRO HA   H   4.372 0.030 1 
      1221 124 124 PRO HB2  H   2.257 0.030 2 
      1222 124 124 PRO HB3  H   1.868 0.030 2 
      1223 124 124 PRO HD2  H   3.762 0.030 2 
      1224 124 124 PRO HD3  H   3.593 0.030 2 
      1225 124 124 PRO HG2  H   1.984 0.030 2 
      1226 124 124 PRO HG3  H   1.923 0.030 2 
      1227 124 124 PRO C    C 176.834 0.300 1 
      1228 124 124 PRO CA   C  62.868 0.300 1 
      1229 124 124 PRO CB   C  32.062 0.300 1 
      1230 124 124 PRO CD   C  50.389 0.300 1 
      1231 124 124 PRO CG   C  27.447 0.300 1 
      1232 125 125 ARG H    H   8.389 0.030 1 
      1233 125 125 ARG HA   H   4.241 0.030 1 
      1234 125 125 ARG HB2  H   1.707 0.030 1 
      1235 125 125 ARG HB3  H   1.707 0.030 1 
      1236 125 125 ARG HD2  H   3.139 0.030 2 
      1237 125 125 ARG HG2  H   1.603 0.030 1 
      1238 125 125 ARG HG3  H   1.603 0.030 1 
      1239 125 125 ARG C    C 176.152 0.300 1 
      1240 125 125 ARG CA   C  55.904 0.300 1 
      1241 125 125 ARG CB   C  30.938 0.300 1 
      1242 125 125 ARG CD   C  43.271 0.300 1 
      1243 125 125 ARG CG   C  27.035 0.300 1 
      1244 125 125 ARG N    N 121.856 0.300 1 
      1245 126 126 LYS H    H   8.396 0.030 1 
      1246 126 126 LYS HA   H   4.294 0.030 1 
      1247 126 126 LYS HB2  H   1.725 0.030 2 
      1248 126 126 LYS HE2  H   2.945 0.030 2 
      1249 126 126 LYS HG2  H   1.362 0.030 2 
      1250 126 126 LYS C    C 176.228 0.300 1 
      1251 126 126 LYS CA   C  56.203 0.300 1 
      1252 126 126 LYS CB   C  33.175 0.300 1 
      1253 126 126 LYS CD   C  29.425 0.300 1 
      1254 126 126 LYS CE   C  42.200 0.300 1 
      1255 126 126 LYS CG   C  24.810 0.300 1 
      1256 126 126 LYS N    N 123.910 0.300 1 
      1257 127 127 VAL H    H   8.308 0.030 1 
      1258 127 127 VAL HA   H   4.056 0.030 1 
      1259 127 127 VAL HB   H   2.011 0.030 1 
      1260 127 127 VAL HG1  H   0.895 0.030 1 
      1261 127 127 VAL HG2  H   0.895 0.030 1 
      1262 127 127 VAL C    C 176.122 0.300 1 
      1263 127 127 VAL CA   C  62.303 0.300 1 
      1264 127 127 VAL CB   C  32.846 0.300 1 
      1265 127 127 VAL CG1  C  20.936 0.300 2 
      1266 127 127 VAL CG2  C  20.936 0.300 2 
      1267 127 127 VAL N    N 123.154 0.300 1 
      1268 128 128 GLU H    H   8.587 0.030 1 
      1269 128 128 GLU HA   H   4.365 0.030 1 
      1270 128 128 GLU HB2  H   2.062 0.030 2 
      1271 128 128 GLU HB3  H   1.920 0.030 2 
      1272 128 128 GLU HG2  H   2.231 0.030 2 
      1273 128 128 GLU C    C 176.309 0.300 1 
      1274 128 128 GLU CA   C  56.345 0.300 1 
      1275 128 128 GLU CB   C  30.373 0.300 1 
      1276 128 128 GLU CG   C  36.018 0.300 1 
      1277 128 128 GLU N    N 125.485 0.300 1 
      1278 129 129 SER H    H   8.396 0.030 1 
      1279 129 129 SER HA   H   4.463 0.030 1 
      1280 129 129 SER HB2  H   3.879 0.030 1 
      1281 129 129 SER HB3  H   3.879 0.030 1 
      1282 129 129 SER C    C 174.517 0.300 1 
      1283 129 129 SER CA   C  58.231 0.300 1 
      1284 129 129 SER CB   C  63.874 0.300 1 
      1285 129 129 SER N    N 117.339 0.300 1 
      1286 130 130 GLY H    H   8.289 0.030 1 
      1287 130 130 GLY HA2  H   4.434 0.030 2 
      1288 130 130 GLY HA3  H   4.117 0.030 2 
      1289 130 130 GLY C    C 171.777 0.300 1 
      1290 130 130 GLY CA   C  44.637 0.300 1 
      1291 130 130 GLY N    N 110.818 0.300 1 
      1292 131 131 PRO HA   H   4.450 0.030 1 
      1293 131 131 PRO HB2  H   2.268 0.030 1 
      1294 131 131 PRO HB3  H   2.268 0.030 1 
      1295 131 131 PRO HD2  H   3.590 0.030 1 
      1296 131 131 PRO HD3  H   3.590 0.030 1 
      1297 131 131 PRO HG2  H   1.989 0.030 1 
      1298 131 131 PRO HG3  H   1.989 0.030 1 
      1299 131 131 PRO CA   C  63.215 0.300 1 
      1300 131 131 PRO CB   C  32.047 0.300 1 
      1301 131 131 PRO CD   C  49.782 0.300 1 
      1302 131 131 PRO CG   C  27.282 0.300 1 
      1303 132 132 SER H    H   8.522 0.030 1 
      1304 132 132 SER N    N 116.445 0.300 1 

   stop_

save_