data_18523

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

save_entry_information
   _Saveframe_category      entry_information

   _Entry_title
;
NMR structure of Hsp12, a protein induced by and required for dietary restriction-induced lifespan extension in yeast.
;
   _BMRB_accession_number   18523
   _BMRB_flat_file_name     bmr18523.str
   _Entry_type              original
   _Submission_date         2012-06-14
   _Accession_date          2012-06-14
   _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 Herbert    Andrew  P. .
      2 Lian       Lu-Yun  .  .
      3 Morgan     Alan    .  .
      4 Riesen     Michele .  .
      5 Bloxam     Leanne  .  .
      6 Kosmidou   Effie   .  .
      7 Wareing    Brian   M. .
      8 Phelan     J.      .  .
      9 Pennington Stephen R. .

   stop_

   loop_
      _Saveframe_category_type
      _Saveframe_category_type_count

      assigned_chemical_shifts 1

   stop_

   loop_
      _Data_type
      _Data_type_count

      "1H chemical shifts"  609
      "13C chemical shifts" 425
      "15N chemical shifts" 111

   stop_

   loop_
      _Revision_date
      _Revision_keyword
      _Revision_author
      _Revision_detail

      2012-08-06 original BMRB .

   stop_

   _Original_release_date   2012-06-14

save_


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

save_entry_citation
   _Saveframe_category           entry_citation

   _Citation_full                .
   _Citation_title
;
NMR structure of hsp12, a protein induced by and required for dietary restriction-induced lifespan extension in yeast
;
   _Citation_status              published
   _Citation_type                journal
   _CAS_abstract_code            .
   _MEDLINE_UI_code              .
   _PubMed_ID                    22848679

   loop_
      _Author_ordinal
      _Author_family_name
      _Author_given_name
      _Author_middle_initials
      _Author_family_title

       1 Herbert    Andrew  P. .
       2 Riesen     Michele .  .
       3 Bloxam     Leanne  .  .
       4 Kosmidou   Effie   .  .
       5 Wareing    Brian   M. .
       6 Johnson    James   R. .
       7 Phelan     Marie   M. .
       8 Pennington Stephen R. .
       9 Lian       Lu-Yun  .  .
      10 Morgan     Alan    .  .

   stop_

   _Journal_abbreviation        'PLOS One'
   _Journal_volume               7
   _Journal_issue                7
   _Journal_CSD                  .
   _Book_chapter_title           .
   _Book_volume                  .
   _Book_series                  .
   _Book_ISBN                    .
   _Conference_state_province    .
   _Conference_abstract_number   .
   _Page_first                   e41975
   _Page_last                    e41975
   _Year                         2012
   _Details                      .

   loop_
      _Keyword

      Aging
      NMR
      longevity
      proteomics
      yeast

   stop_

save_


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

save_assembly
   _Saveframe_category         molecular_system

   _Mol_system_name           'HSP12 SDS'
   _Enzyme_commission_number   .

   loop_
      _Mol_system_component_name
      _Mol_label

      'HSP12 SDS' $HSP12_SDS

   stop_

   _System_molecular_weight    11690.6574
   _System_physical_state      native
   _System_oligomer_state      ?
   _System_paramagnetic        no
   _System_thiol_state        'not present'
   _Database_query_date        .
   _Details                    .

save_


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

save_HSP12_SDS
   _Saveframe_category                          monomeric_polymer

   _Mol_type                                    polymer
   _Mol_polymer_class                           protein
   _Name_common                                 HSP12_SDS
   _Molecular_mass                              11690.6574
   _Mol_thiol_state                            'not present'
   _Details                                     .

   	##############################
   	#  Polymer residue sequence  #
   	##############################

      _Residue_count                               109
   _Mol_residue_sequence
;
MSDAGRKGFGEKASEALKPD
SQKSYAEQGKEYITDKADKV
AGKVQPEDNKGVFQGVHDSA
EKGKDNAEGQGESLADQARD
YMGAAKSKLNDAVEYVSGRV
HGEEDPTKK
;

   loop_
      _Residue_seq_code
      _Residue_label

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

   stop_

   _Sequence_homology_query_date                .
   _Sequence_homology_query_revised_last_date   .

   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

      UNP HSP12_YEAST P22943 . . . . .

   stop_

save_


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

save_natural_source
   _Saveframe_category   natural_source


   loop_
      _Mol_label
      _Organism_name_common
      _NCBI_taxonomy_ID
      _Superkingdom
      _Kingdom
      _Genus
      _Species

      $HSP12_SDS "baker's yeast" 4932 Eukaryota Fungi Saccharomyces cerevisiae

   stop_

save_


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

save_experimental_source
   _Saveframe_category   experimental_source


   loop_
      _Mol_label
      _Production_method
      _Host_organism_name_common
      _Genus
      _Species
      _Strain
      _Vector_name

      $HSP12_SDS 'recombinant technology' 'Escherichia coli' Escherichia coli BL21(DE3) pE-SUMO-Pro-Kan

   stop_

save_


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

    ########################
    #  Sample description  #
    ########################

save_13C_15NH_SP12
   _Saveframe_category   sample

   _Sample_type          solution
   _Details              .

   loop_
      _Mol_label
      _Concentration_value
      _Concentration_value_units
      _Isotopic_labeling

      $HSP12_SDS              0.45 mM '[U-13C; U-15N]'
       SDS                  100.00 mM 'natural abundance'
       NaCl                  40.00 mM 'natural abundance'
      'Potassium Phosphate'  20.00 mM 'natural abundance'

   stop_

save_


save_15N_HSP12
   _Saveframe_category   sample

   _Sample_type          solution
   _Details              .

   loop_
      _Mol_label
      _Concentration_value
      _Concentration_value_units
      _Isotopic_labeling

       SDS                  100.00 mM 'natural abundance'
       NaCl                  40.00 mM 'natural abundance'
      'Potassium Phosphate'  20.00 mM 'natural abundance'
      $HSP12_SDS              0.45 mM  [U-15N]

   stop_

save_


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

save_AutoDep
   _Saveframe_category   software

   _Name                 AutoDep
   _Version              4.3

   loop_
      _Vendor
      _Address
      _Electronic_address

      PDBe . .

   stop_

   loop_
      _Task

      collection

   stop_

   _Details              .

save_


save_CYANA
   _Saveframe_category   software

   _Name                 CYANA
   _Version              2.1

   loop_
      _Vendor
      _Address
      _Electronic_address

      GUENTERT

;
L.A.Systems, Inc
Tokei-Kaikan BLD.1F 1-11-5 Ueno
Taito Tokyo, 110-0005 JAPAN
;
      http://www.las.jp/english/company/contact.html


   stop_

   loop_
      _Task

      'Structure Calculation/refinement'

   stop_

   _Details              .

save_


save_CcpNmr_Analysis
   _Saveframe_category   software

   _Name                 ANALYSIS
   _Version              2.1

   loop_
      _Vendor
      _Address
      _Electronic_address

      CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk

   stop_

   loop_
      _Task

      'NMR Resonance Assignment'

   stop_

   _Details             'The CCPN NMR assignment and data analysis application'

save_


save_DANGLE
   _Saveframe_category   software

   _Name                 DANGLE
   _Version              1.1

   loop_
      _Vendor
      _Address
      _Electronic_address

      'Ming-Sin Cheung et al.' . .

   stop_

   loop_
      _Task

      'Dihedral restraint calculation'

   stop_

   _Details              .

save_


save_Topspin
   _Saveframe_category   software

   _Name                 TOPSPIN
   _Version              2.1

   loop_
      _Vendor
      _Address
      _Electronic_address

      Bruker

;
Bruker UK Limited
Banner Lane
Coventry CV4 9GH
;
      .


   stop_

   loop_
      _Task

      'Data Acquisition'
      'Spectrum Processing'

   stop_

   _Details              .

save_


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

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

save_600
   _Saveframe_category   NMR_spectrometer

   _Manufacturer         Bruker
   _Model                Avance
   _Field_strength       600
   _Details              .

save_


save_800
   _Saveframe_category   NMR_spectrometer

   _Manufacturer         Bruker
   _Model                Avance
   _Field_strength       800
   _Details              .

save_


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

save_2D_1H-15N_HSQC/HMQC_1
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '2D 1H-15N HSQC/HMQC'
   _Sample_label        $13C_15NH_SP12

save_


save_3D_HNCO_2
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D HNCO'
   _Sample_label        $13C_15NH_SP12

save_


save_hncaco_(H[N[ca[CO]]])_3
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     'hncaco (H[N[ca[CO]]])'
   _Sample_label        $13C_15NH_SP12

save_


save_3D_CBCA(CO)NH_4
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D CBCA(CO)NH'
   _Sample_label        $13C_15NH_SP12

save_


save_3D_HNCACB_5
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D HNCACB'
   _Sample_label        $13C_15NH_SP12

save_


save_2D_1H-13C_HSQC/HMQC_6
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '2D 1H-13C HSQC/HMQC'
   _Sample_label        $13C_15NH_SP12

save_


save_3D_HNCA_7
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D HNCA'
   _Sample_label        $13C_15NH_SP12

save_


save_3D_HBHA(CO)NH_8
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D HBHA(CO)NH'
   _Sample_label        $13C_15NH_SP12

save_


save_3D_1H-15N_NOESY_9
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D 1H-15N NOESY'
   _Sample_label        $15N_HSP12

save_


save_hbhanh_(H{ca|cca}NH)_10
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     'hbhanh (H{ca|cca}NH)'
   _Sample_label        $13C_15NH_SP12

save_


save_3D_HCCH-TOCSY_11
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D HCCH-TOCSY'
   _Sample_label        $13C_15NH_SP12

save_


save_3D_1H-13C_NOESY_12
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D 1H-13C NOESY'
   _Sample_label        $13C_15NH_SP12

save_


save_c-trosy-arom_(H[C[caro]])_13
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     'c-trosy-arom (H[C[caro]])'
   _Sample_label        $13C_15NH_SP12

save_


save_hncbcgcdhd_(hbCBcgcdHD)_14
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     'hncbcgcdhd (hbCBcgcdHD)'
   _Sample_label        $13C_15NH_SP12

save_


save_CBCACONH_15
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name      CBCACONH
   _Sample_label        $15N_HSP12

save_


save_HBHACONH_16
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name      HBHACONH
   _Sample_label        $15N_HSP12

save_


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

save_SDS
   _Saveframe_category   sample_conditions

   _Details              .

   loop_
      _Variable_type
      _Variable_value
      _Variable_value_error
      _Variable_value_units

      pH            6.500 . pH
      pressure      1.000 . atm
      temperature 318.000 . K

   stop_

save_


save_CondSet1
   _Saveframe_category   sample_conditions

   _Details              .

   loop_
      _Variable_type
      _Variable_value
      _Variable_value_error
      _Variable_value_units

      temperature 298.000 0.0 K

   stop_

save_


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

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

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

save_chemical_shift_reference_1
   _Saveframe_category   chemical_shift_reference

   _Details              .

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

      HDO H 1 H ppm 0.0 internal indirect . . . 1

   stop_

save_


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

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

   _Details                          .

   loop_
      _Experiment_label

      '2D 1H-15N HSQC/HMQC'
      '3D HNCO'
      'hncaco (H[N[ca[CO]]])'
      '3D CBCA(CO)NH'
      '3D HNCACB'
      '2D 1H-13C HSQC/HMQC'
      '3D HNCA'
      '3D HBHA(CO)NH'
      '3D 1H-15N NOESY'
      'hbhanh (H{ca|cca}NH)'
      '3D HCCH-TOCSY'
      '3D 1H-13C NOESY'
      'c-trosy-arom (H[C[caro]])'
      'hncbcgcdhd (hbCBcgcdHD)'

   stop_

   loop_
      _Sample_label

      $13C_15NH_SP12
      $15N_HSP12

   stop_

   _Sample_conditions_label         $SDS
   _Chem_shift_reference_set_label  $chemical_shift_reference_1
   _Mol_system_component_name       'HSP12 SDS'
   _Text_data_format                 .
   _Text_data                        .

   loop_
      _Atom_shift_assign_ID
      _Residue_author_seq_code
      _Residue_seq_code
      _Residue_label
      _Atom_name
      _Atom_type
      _Chem_shift_value
      _Chem_shift_value_error
      _Chem_shift_ambiguity_code

         1   2   2 SER HA   H   4.522 0.001 1
         2   2   2 SER HB2  H   3.954 0.016 1
         3   2   2 SER HB3  H   3.922 0.031 1
         4   2   2 SER C    C 174.175 0.001 1
         5   2   2 SER CA   C  58.499 0.018 1
         6   2   2 SER CB   C  64.397 0.02  1
         7   3   3 ASP H    H   8.410 0.004 1
         8   3   3 ASP HA   H   4.538 0.008 1
         9   3   3 ASP HB2  H   2.684 0.003 1
        10   3   3 ASP HB3  H   2.684 0.003 1
        11   3   3 ASP C    C 176.286 0.007 1
        12   3   3 ASP CA   C  55.185 0.02  1
        13   3   3 ASP CB   C  41.032 0.016 1
        14   3   3 ASP N    N 122.091 0.029 1
        15   4   4 ALA H    H   8.071 0.003 1
        16   4   4 ALA HA   H   4.277 0.009 1
        17   4   4 ALA HB   H   1.383 0.024 1
        18   4   4 ALA C    C 178.312 0.021 1
        19   4   4 ALA CA   C  53.247 0.036 1
        20   4   4 ALA CB   C  19.416 0.025 1
        21   4   4 ALA N    N 122.703 0.027 1
        22   5   5 GLY H    H   8.093 0.006 1
        23   5   5 GLY HA2  H   3.909 0.026 1
        24   5   5 GLY HA3  H   3.960 0.013 1
        25   5   5 GLY C    C 174.305 0.025 1
        26   5   5 GLY CA   C  45.777 0.055 1
        27   5   5 GLY N    N 107.315 0.118 1
        28   6   6 ARG H    H   7.966 0.008 1
        29   6   6 ARG HA   H   4.307 0.014 1
        30   6   6 ARG HB2  H   1.801 0.008 1
        31   6   6 ARG HB3  H   1.911 0.007 1
        32   6   6 ARG HG2  H   1.646 0.007 1
        33   6   6 ARG HG3  H   1.646 0.007 1
        34   6   6 ARG HD2  H   3.178 0.006 1
        35   6   6 ARG HD3  H   3.178 0.006 1
        36   6   6 ARG HE   H   7.135 0.005 1
        37   6   6 ARG C    C 176.780 0.023 1
        38   6   6 ARG CA   C  56.985 0.042 1
        39   6   6 ARG CB   C  30.829 0.047 1
        40   6   6 ARG CG   C  27.583 0.077 1
        41   6   6 ARG CD   C  43.699 0.023 1
        42   6   6 ARG CZ   C 159.655  .    1
        43   6   6 ARG N    N 119.893 0.027 1
        44   6   6 ARG NE   N  84.364 0.004 1
        45   7   7 LYS H    H   8.081 0.006 1
        46   7   7 LYS HA   H   4.244 0.019 1
        47   7   7 LYS HB2  H   1.762 0.016 1
        48   7   7 LYS HB3  H   1.761 0.016 1
        49   7   7 LYS HG2  H   1.419 0.008 1
        50   7   7 LYS HG3  H   1.427 0.021 1
        51   7   7 LYS HD2  H   1.667 0.009 1
        52   7   7 LYS HD3  H   1.672 0.022 1
        53   7   7 LYS HE2  H   2.988 0.004 1
        54   7   7 LYS HE3  H   2.988 0.004 1
        55   7   7 LYS C    C 177.225 0.039 1
        56   7   7 LYS CA   C  57.158 0.038 1
        57   7   7 LYS CB   C  32.911 0.064 1
        58   7   7 LYS CG   C  24.951 0.001 1
        59   7   7 LYS CD   C  29.228 0.025 1
        60   7   7 LYS CE   C  42.516 0.005 1
        61   7   7 LYS N    N 120.244 0.024 1
        62   8   8 GLY H    H   8.061 0.006 1
        63   8   8 GLY HA2  H   3.928 0.018 1
        64   8   8 GLY HA3  H   3.949 0.005 1
        65   8   8 GLY C    C 174.995 0.012 1
        66   8   8 GLY CA   C  46.076 0.053 1
        67   8   8 GLY N    N 107.942 0.071 1
        68   9   9 PHE H    H   7.999 0.008 1
        69   9   9 PHE HA   H   4.372 0.004 1
        70   9   9 PHE HB2  H   3.103 0.015 1
        71   9   9 PHE HB3  H   3.106 0.015 1
        72   9   9 PHE HD1  H   7.206 0.003 3
        73   9   9 PHE HD2  H   7.206 0.003 3
        74   9   9 PHE HE1  H   7.202  .    3
        75   9   9 PHE HE2  H   7.202  .    3
        76   9   9 PHE HZ   H   7.088  .    1
        77   9   9 PHE C    C 176.940 0.004 1
        78   9   9 PHE CA   C  60.169 0.056 1
        79   9   9 PHE CB   C  39.613 0.034 1
        80   9   9 PHE CD1  C 132.245  .    3
        81   9   9 PHE CD2  C 132.245  .    3
        82   9   9 PHE CE1  C 131.508  .    3
        83   9   9 PHE CE2  C 131.508  .    3
        84   9   9 PHE CZ   C 129.592  .    1
        85   9   9 PHE N    N 120.285 0.04  1
        86  10  10 GLY H    H   8.375 0.007 1
        87  10  10 GLY HA2  H   3.686 0.005 1
        88  10  10 GLY HA3  H   3.963 0.005 1
        89  10  10 GLY C    C 175.457 0.001 1
        90  10  10 GLY CA   C  47.010 0.012 1
        91  10  10 GLY N    N 107.724 0.04  1
        92  11  11 GLU H    H   7.942 0.01  1
        93  11  11 GLU HA   H   4.075 0.005 1
        94  11  11 GLU HB2  H   2.044 0.007 1
        95  11  11 GLU HB3  H   2.044 0.007 1
        96  11  11 GLU HG2  H   2.255 0.033 1
        97  11  11 GLU HG3  H   2.290 0.031 1
        98  11  11 GLU C    C 178.472 0.027 1
        99  11  11 GLU CA   C  59.087 0.031 1
       100  11  11 GLU CB   C  29.756 0.084 1
       101  11  11 GLU CG   C  36.315 0.043 1
       102  11  11 GLU N    N 120.950 0.02  1
       103  12  12 LYS H    H   7.851 0.019 1
       104  12  12 LYS HA   H   4.112 0.003 1
       105  12  12 LYS HB2  H   1.818 0.014 1
       106  12  12 LYS HB3  H   1.847 0.012 1
       107  12  12 LYS HG2  H   1.446 0.01  1
       108  12  12 LYS HG3  H   1.493 0.019 1
       109  12  12 LYS HD2  H   1.656 0.02  1
       110  12  12 LYS HD3  H   1.656 0.02  1
       111  12  12 LYS HE2  H   2.962 0.003 1
       112  12  12 LYS HE3  H   2.962 0.003 1
       113  12  12 LYS C    C 178.544  .    1
       114  12  12 LYS CA   C  58.591 0.054 1
       115  12  12 LYS CB   C  32.522 0.052 1
       116  12  12 LYS CE   C  42.513 0.026 1
       117  12  12 LYS N    N 118.961 0.028 1
       118  13  13 ALA H    H   8.159 0.008 1
       119  13  13 ALA HA   H   3.988 0.004 1
       120  13  13 ALA HB   H   1.300 0.021 1
       121  13  13 ALA C    C 178.388  .    1
       122  13  13 ALA CA   C  54.929 0.05  1
       123  13  13 ALA CB   C  18.577 0.021 1
       124  13  13 ALA N    N 121.313 0.029 1
       125  14  14 SER H    H   7.943 0.002 1
       126  14  14 SER HA   H   4.085 0.004 1
       127  14  14 SER HB2  H   3.941 0.015 1
       128  14  14 SER HB3  H   3.965 0.009 1
       129  14  14 SER C    C 176.173  .    1
       130  14  14 SER CA   C  61.347 0.018 1
       131  14  14 SER CB   C  63.414 0.027 1
       132  14  14 SER N    N 111.092 0.026 1
       133  15  15 GLU H    H   7.670 0.013 1
       134  15  15 GLU HA   H   4.136 0.012 1
       135  15  15 GLU HB2  H   2.073 0.008 1
       136  15  15 GLU HB3  H   2.072 0.008 1
       137  15  15 GLU HG2  H   2.297 0.006 1
       138  15  15 GLU HG3  H   2.392 0.015 1
       139  15  15 GLU C    C 177.495 0.003 1
       140  15  15 GLU CA   C  58.115 0.053 1
       141  15  15 GLU CB   C  29.902 0.028 1
       142  15  15 GLU CG   C  36.280 0.053 1
       143  15  15 GLU N    N 119.703 0.024 1
       144  16  16 ALA H    H   7.671 0.004 1
       145  16  16 ALA HA   H   4.242 0.005 1
       146  16  16 ALA HB   H   1.428 0.016 1
       147  16  16 ALA C    C 177.913 0.012 1
       148  16  16 ALA CA   C  53.882 0.022 1
       149  16  16 ALA CB   C  19.658 0.015 1
       150  16  16 ALA N    N 120.536 0.036 1
       151  17  17 LEU H    H   7.570 0.004 1
       152  17  17 LEU HA   H   4.335 0.005 1
       153  17  17 LEU HB2  H   1.593 0.006 1
       154  17  17 LEU HB3  H   1.703 0.004 1
       155  17  17 LEU HG   H   1.710 0.004 1
       156  17  17 LEU HD1  H   0.846 0.006 1
       157  17  17 LEU HD2  H   0.821 0.021 1
       158  17  17 LEU C    C 176.217 0.012 1
       159  17  17 LEU CA   C  55.090 0.024 1
       160  17  17 LEU CB   C  42.704 0.031 1
       161  17  17 LEU CG   C  27.351 0.04  1
       162  17  17 LEU CD1  C  25.653 0.031 1
       163  17  17 LEU CD2  C  23.688 0.037 1
       164  17  17 LEU N    N 116.276 0.043 1
       165  18  18 LYS H    H   7.661 0.004 1
       166  18  18 LYS HA   H   4.537 0.004 1
       167  18  18 LYS HB2  H   1.817 0.015 1
       168  18  18 LYS HB3  H   1.822 0.016 1
       169  18  18 LYS HG2  H   1.439 0.0   1
       170  18  18 LYS HG3  H   1.508 0.009 1
       171  18  18 LYS HD2  H   1.698 0.002 1
       172  18  18 LYS HD3  H   1.698 0.002 1
       173  18  18 LYS HE2  H   2.991  .    1
       174  18  18 LYS HE3  H   2.991  .    1
       175  18  18 LYS C    C 174.857  .    1
       176  18  18 LYS CA   C  54.624 0.047 1
       177  18  18 LYS CB   C  32.590 0.063 1
       178  18  18 LYS CG   C  25.326 0.012 1
       179  18  18 LYS CD   C  29.435 0.027 1
       180  18  18 LYS N    N 119.921 0.049 1
       181  19  19 PRO HA   H   4.426 0.006 1
       182  19  19 PRO HB2  H   1.961 0.021 1
       183  19  19 PRO HB3  H   2.270 0.006 1
       184  19  19 PRO HG2  H   1.963 0.024 1
       185  19  19 PRO HG3  H   2.012 0.012 1
       186  19  19 PRO HD2  H   3.676 0.006 1
       187  19  19 PRO HD3  H   3.792 0.004 1
       188  19  19 PRO C    C 177.022  .    1
       189  19  19 PRO CA   C  64.066 0.021 1
       190  19  19 PRO CB   C  32.312 0.059 1
       191  19  19 PRO CG   C  27.601 0.016 1
       192  19  19 PRO CD   C  50.870 0.088 1
       193  20  20 ASP H    H   8.310 0.003 1
       194  20  20 ASP HA   H   4.562 0.015 1
       195  20  20 ASP HB2  H   2.672 0.014 1
       196  20  20 ASP HB3  H   2.708 0.013 1
       197  20  20 ASP C    C 176.682 0.008 1
       198  20  20 ASP CA   C  54.771 0.115 1
       199  20  20 ASP CB   C  41.377 0.012 1
       200  20  20 ASP N    N 118.921 0.048 1
       201  21  21 SER H    H   7.987 0.003 1
       202  21  21 SER HA   H   4.351 0.008 1
       203  21  21 SER HB2  H   3.879 0.014 1
       204  21  21 SER HB3  H   3.932 0.012 1
       205  21  21 SER C    C 174.892 0.012 1
       206  21  21 SER CA   C  59.304 0.043 1
       207  21  21 SER CB   C  64.036 0.029 1
       208  21  21 SER N    N 115.798 0.038 1
       209  22  22 GLN H    H   8.377 0.006 1
       210  22  22 GLN HA   H   4.248 0.017 1
       211  22  22 GLN HB2  H   2.007 0.011 1
       212  22  22 GLN HB3  H   2.150 0.007 1
       213  22  22 GLN HG2  H   2.325 0.019 1
       214  22  22 GLN HG3  H   2.354 0.011 1
       215  22  22 GLN C    C 176.048 0.02  1
       216  22  22 GLN CA   C  56.973 0.034 1
       217  22  22 GLN CB   C  29.252 0.051 1
       218  22  22 GLN CG   C  34.376 0.022 1
       219  22  22 GLN N    N 120.587 0.027 1
       220  23  23 LYS H    H   7.871 0.013 1
       221  23  23 LYS HA   H   4.292 0.007 1
       222  23  23 LYS HB2  H   1.615 0.011 1
       223  23  23 LYS HB3  H   1.615 0.011 1
       224  23  23 LYS HG2  H   1.297 0.025 1
       225  23  23 LYS HG3  H   1.307 0.023 1
       226  23  23 LYS HD2  H   1.591 0.003 1
       227  23  23 LYS HD3  H   1.591 0.003 1
       228  23  23 LYS HE2  H   2.926 0.005 1
       229  23  23 LYS HE3  H   2.926 0.005 1
       230  23  23 LYS C    C 176.223 0.007 1
       231  23  23 LYS CA   C  56.398 0.024 1
       232  23  23 LYS CB   C  33.714 0.059 1
       233  23  23 LYS CG   C  25.016 0.026 1
       234  23  23 LYS CD   C  29.174 0.03  1
       235  23  23 LYS CE   C  42.448 0.03  1
       236  23  23 LYS N    N 120.243 0.032 1
       237  24  24 SER H    H   8.258 0.011 1
       238  24  24 SER HA   H   4.473 0.014 1
       239  24  24 SER HB2  H   3.891 0.006 1
       240  24  24 SER HB3  H   4.059 0.005 1
       241  24  24 SER C    C 175.763 0.015 1
       242  24  24 SER CA   C  58.374 0.022 1
       243  24  24 SER CB   C  63.839 0.037 1
       244  24  24 SER N    N 116.955 0.059 1
       245  25  25 TYR H    H   8.124 0.008 1
       246  25  25 TYR HA   H   4.351 0.004 1
       247  25  25 TYR HB2  H   2.995 0.009 1
       248  25  25 TYR HB3  H   2.996 0.008 1
       249  25  25 TYR HD1  H   7.121 0.003 3
       250  25  25 TYR HD2  H   7.121 0.003 3
       251  25  25 TYR HE1  H   6.828 0.002 3
       252  25  25 TYR HE2  H   6.828 0.002 3
       253  25  25 TYR C    C 177.750 0.008 1
       254  25  25 TYR CA   C  61.077 0.065 1
       255  25  25 TYR CB   C  38.014 0.036 1
       256  25  25 TYR CD1  C 133.204 0.062 3
       257  25  25 TYR CD2  C 133.204 0.062 3
       258  25  25 TYR CE1  C 119.035 0.148 3
       259  25  25 TYR CE2  C 119.035 0.148 3
       260  25  25 TYR N    N 121.832 0.03  1
       261  26  26 ALA H    H   8.175 0.006 1
       262  26  26 ALA HA   H   4.034 0.007 1
       263  26  26 ALA HB   H   1.476 0.029 1
       264  26  26 ALA C    C 178.996 0.019 1
       265  26  26 ALA CA   C  55.678 0.024 1
       266  26  26 ALA CB   C  18.553 0.029 1
       267  26  26 ALA N    N 120.938 0.044 1
       268  27  27 GLU H    H   7.863 0.011 1
       269  27  27 GLU HA   H   4.002 0.014 1
       270  27  27 GLU HB2  H   2.058 0.008 1
       271  27  27 GLU HB3  H   2.119 0.014 1
       272  27  27 GLU HG2  H   2.295 0.019 1
       273  27  27 GLU HG3  H   2.441 0.032 1
       274  27  27 GLU C    C 179.099 0.002 1
       275  27  27 GLU CA   C  59.600 0.048 1
       276  27  27 GLU CB   C  29.518 0.089 1
       277  27  27 GLU CG   C  36.261 0.018 1
       278  27  27 GLU N    N 117.183 0.025 1
       279  28  28 GLN H    H   8.099 0.009 1
       280  28  28 GLN HA   H   4.154 0.004 1
       281  28  28 GLN HB2  H   2.168 0.006 1
       282  28  28 GLN HB3  H   2.168 0.006 1
       283  28  28 GLN HG2  H   2.357 0.007 1
       284  28  28 GLN HG3  H   2.454 0.006 1
       285  28  28 GLN HE21 H   6.648 0.003 1
       286  28  28 GLN HE22 H   7.027 0.003 1
       287  28  28 GLN C    C 179.164 0.006 1
       288  28  28 GLN CA   C  58.998 0.027 1
       289  28  28 GLN CB   C  29.329 0.081 1
       290  28  28 GLN CG   C  34.801 0.026 1
       291  28  28 GLN N    N 118.430 0.03  1
       292  28  28 GLN NE2  N 110.328 0.02  1
       293  29  29 GLY H    H   8.731 0.006 1
       294  29  29 GLY HA2  H   3.661 0.004 1
       295  29  29 GLY HA3  H   3.856 0.006 1
       296  29  29 GLY C    C 174.515 0.006 1
       297  29  29 GLY CA   C  47.758 0.026 1
       298  29  29 GLY N    N 107.752 0.039 1
       299  30  30 LYS H    H   8.351 0.006 1
       300  30  30 LYS HA   H   3.931 0.007 1
       301  30  30 LYS HB2  H   1.931 0.023 1
       302  30  30 LYS HB3  H   2.003 0.011 1
       303  30  30 LYS HG2  H   1.394 0.005 1
       304  30  30 LYS HG3  H   1.549 0.006 1
       305  30  30 LYS HD2  H   1.725 0.01  1
       306  30  30 LYS HD3  H   1.725 0.01  1
       307  30  30 LYS HE2  H   2.933 0.004 1
       308  30  30 LYS HE3  H   2.933 0.004 1
       309  30  30 LYS C    C 178.975 0.001 1
       310  30  30 LYS CA   C  60.582 0.047 1
       311  30  30 LYS CB   C  32.522 0.05  1
       312  30  30 LYS CG   C  25.758 0.061 1
       313  30  30 LYS CD   C  29.595 0.089 1
       314  30  30 LYS CE   C  42.391 0.014 1
       315  30  30 LYS N    N 121.223 0.032 1
       316  31  31 GLU H    H   8.046 0.009 1
       317  31  31 GLU HA   H   4.013 0.009 1
       318  31  31 GLU HB2  H   2.133 0.01  1
       319  31  31 GLU HB3  H   2.132 0.01  1
       320  31  31 GLU HG2  H   2.291 0.004 1
       321  31  31 GLU HG3  H   2.441 0.013 1
       322  31  31 GLU C    C 178.122 0.015 1
       323  31  31 GLU CA   C  59.704 0.057 1
       324  31  31 GLU CB   C  29.332 0.019 1
       325  31  31 GLU CG   C  36.234 0.007 1
       326  31  31 GLU N    N 119.717 0.033 1
       327  32  32 TYR H    H   8.010 0.009 1
       328  32  32 TYR HA   H   4.245 0.006 1
       329  32  32 TYR HB2  H   3.206 0.005 1
       330  32  32 TYR HB3  H   3.206 0.005 1
       331  32  32 TYR HD1  H   7.053 0.004 3
       332  32  32 TYR HD2  H   7.053 0.004 3
       333  32  32 TYR HE1  H   6.737 0.004 3
       334  32  32 TYR HE2  H   6.737 0.004 3
       335  32  32 TYR C    C 178.086 0.01  1
       336  32  32 TYR CA   C  61.917 0.033 1
       337  32  32 TYR CB   C  39.165 0.047 1
       338  32  32 TYR CD1  C 133.747 0.044 3
       339  32  32 TYR CD2  C 133.747 0.044 3
       340  32  32 TYR CE1  C 118.609  .    3
       341  32  32 TYR CE2  C 118.609  .    3
       342  32  32 TYR N    N 119.711 0.026 1
       343  33  33 ILE H    H   8.195 0.007 1
       344  33  33 ILE HA   H   3.767 0.004 1
       345  33  33 ILE HB   H   2.048 0.004 1
       346  33  33 ILE HG12 H   1.393 0.007 1
       347  33  33 ILE HG13 H   1.807 0.005 1
       348  33  33 ILE HG2  H   0.976 0.01  1
       349  33  33 ILE HD1  H   0.902 0.01  1
       350  33  33 ILE C    C 177.582 0.001 1
       351  33  33 ILE CA   C  64.214 0.034 1
       352  33  33 ILE CB   C  38.224 0.047 1
       353  33  33 ILE CG1  C  29.161 0.028 1
       354  33  33 ILE CG2  C  18.238 0.033 1
       355  33  33 ILE CD1  C  13.328 0.024 1
       356  33  33 ILE N    N 116.722 0.04  1
       357  34  34 THR H    H   8.212 0.006 1
       358  34  34 THR HA   H   3.902 0.004 1
       359  34  34 THR HB   H   4.276 0.005 1
       360  34  34 THR HG2  H   1.285 0.017 1
       361  34  34 THR C    C 176.573 0.02  1
       362  34  34 THR CA   C  66.631 0.05  1
       363  34  34 THR CB   C  68.954 0.023 1
       364  34  34 THR CG2  C  22.021 0.022 1
       365  34  34 THR N    N 114.020 0.035 1
       366  35  35 ASP H    H   7.827 0.006 1
       367  35  35 ASP HA   H   4.476 0.006 1
       368  35  35 ASP HB2  H   2.633 0.026 1
       369  35  35 ASP HB3  H   2.825 0.005 1
       370  35  35 ASP C    C 177.940 0.01  1
       371  35  35 ASP CA   C  57.126 0.074 1
       372  35  35 ASP CB   C  41.776 0.042 1
       373  35  35 ASP N    N 120.959 0.031 1
       374  36  36 LYS H    H   7.616 0.006 1
       375  36  36 LYS HA   H   4.135 0.006 1
       376  36  36 LYS HB2  H   1.770 0.012 1
       377  36  36 LYS HB3  H   1.800 0.011 1
       378  36  36 LYS HG2  H   1.213 0.013 1
       379  36  36 LYS HG3  H   1.431 0.006 1
       380  36  36 LYS HD2  H   1.455 0.007 1
       381  36  36 LYS HD3  H   1.455 0.007 1
       382  36  36 LYS HE2  H   2.675 0.004 1
       383  36  36 LYS HE3  H   2.924 0.007 1
       384  36  36 LYS C    C 177.995 0.017 1
       385  36  36 LYS CA   C  57.033 0.064 1
       386  36  36 LYS CB   C  32.008 0.051 1
       387  36  36 LYS CG   C  24.420 0.041 1
       388  36  36 LYS CD   C  27.830 0.027 1
       389  36  36 LYS CE   C  42.681 0.074 1
       390  36  36 LYS N    N 116.277 0.029 1
       391  37  37 ALA H    H   8.259 0.005 1
       392  37  37 ALA HA   H   3.976 0.005 1
       393  37  37 ALA HB   H   1.465 0.03  1
       394  37  37 ALA C    C 178.806 0.0   1
       395  37  37 ALA CA   C  55.485 0.048 1
       396  37  37 ALA CB   C  18.584 0.028 1
       397  37  37 ALA N    N 121.399 0.034 1
       398  38  38 ASP H    H   7.989 0.013 1
       399  38  38 ASP HA   H   4.381 0.004 1
       400  38  38 ASP HB2  H   2.694 0.006 1
       401  38  38 ASP HB3  H   2.795 0.024 1
       402  38  38 ASP C    C 178.326 0.048 1
       403  38  38 ASP CA   C  56.836 0.043 1
       404  38  38 ASP CB   C  40.977 0.039 1
       405  38  38 ASP N    N 116.258 0.054 1
       406  39  39 LYS H    H   7.690 0.011 1
       407  39  39 LYS HA   H   4.120 0.005 1
       408  39  39 LYS HB2  H   1.939 0.01  1
       409  39  39 LYS HB3  H   1.946 0.007 1
       410  39  39 LYS HE2  H   3.002 0.0   1
       411  39  39 LYS HE3  H   3.002 0.0   1
       412  39  39 LYS C    C 178.609  .    1
       413  39  39 LYS CA   C  58.439 0.034 1
       414  39  39 LYS CB   C  32.756 0.045 1
       415  39  39 LYS N    N 118.504 0.039 1
       416  40  40 VAL H    H   7.731 0.008 1
       417  40  40 VAL HA   H   3.888 0.005 1
       418  40  40 VAL HB   H   2.179 0.005 1
       419  40  40 VAL HG1  H   0.929 0.005 1
       420  40  40 VAL HG2  H   1.001 0.006 1
       421  40  40 VAL C    C 176.685 0.008 1
       422  40  40 VAL CA   C  64.553 0.042 1
       423  40  40 VAL CB   C  32.440 0.07  1
       424  40  40 VAL CG1  C  22.031 0.027 1
       425  40  40 VAL CG2  C  22.129 0.019 1
       426  40  40 VAL N    N 116.008 0.059 1
       427  41  41 ALA H    H   8.045 0.007 1
       428  41  41 ALA HA   H   4.089 0.01  1
       429  41  41 ALA HB   H   1.462 0.009 1
       430  41  41 ALA C    C 179.134 0.004 1
       431  41  41 ALA CA   C  54.737 0.04  1
       432  41  41 ALA CB   C  18.688 0.021 1
       433  41  41 ALA N    N 122.332 0.032 1
       434  42  42 GLY H    H   7.979 0.004 1
       435  42  42 GLY HA2  H   3.918 0.016 1
       436  42  42 GLY HA3  H   3.941 0.01  1
       437  42  42 GLY C    C 174.982 0.011 1
       438  42  42 GLY CA   C  46.154 0.031 1
       439  42  42 GLY N    N 104.796 0.061 1
       440  43  43 LYS H    H   7.768 0.013 1
       441  43  43 LYS HA   H   4.325 0.01  1
       442  43  43 LYS HB2  H   1.912 0.008 1
       443  43  43 LYS HB3  H   1.912 0.008 1
       444  43  43 LYS HG2  H   1.469 0.011 1
       445  43  43 LYS HG3  H   1.469 0.011 1
       446  43  43 LYS HD2  H   1.678 0.014 1
       447  43  43 LYS HD3  H   1.679 0.013 1
       448  43  43 LYS HE2  H   2.989 0.011 1
       449  43  43 LYS HE3  H   2.989 0.011 1
       450  43  43 LYS C    C 176.625 0.011 1
       451  43  43 LYS CA   C  56.907 0.054 1
       452  43  43 LYS CB   C  33.510 0.029 1
       453  43  43 LYS CG   C  25.186 0.095 1
       454  43  43 LYS CD   C  29.087 0.063 1
       455  43  43 LYS CE   C  42.473 0.042 1
       456  43  43 LYS N    N 118.957 0.026 1
       457  44  44 VAL H    H   7.574 0.003 1
       458  44  44 VAL HA   H   4.121 0.004 1
       459  44  44 VAL HB   H   2.143 0.003 1
       460  44  44 VAL HG1  H   0.904 0.009 1
       461  44  44 VAL HG2  H   0.931 0.006 1
       462  44  44 VAL C    C 174.938 0.011 1
       463  44  44 VAL CA   C  62.472 0.026 1
       464  44  44 VAL CB   C  32.732 0.055 1
       465  44  44 VAL CG1  C  21.785 0.024 1
       466  44  44 VAL CG2  C  20.980 0.026 1
       467  44  44 VAL N    N 116.063 0.043 1
       468  45  45 GLN H    H   8.058 0.007 1
       469  45  45 GLN HA   H   4.629 0.01  1
       470  45  45 GLN HB2  H   1.953 0.009 1
       471  45  45 GLN HB3  H   2.085 0.014 1
       472  45  45 GLN HG2  H   2.318 0.003 1
       473  45  45 GLN HG3  H   2.318 0.003 1
       474  45  45 GLN C    C 173.874  .    1
       475  45  45 GLN CA   C  53.874 0.037 1
       476  45  45 GLN CB   C  29.451 0.04  1
       477  45  45 GLN CG   C  34.016 0.019 1
       478  45  45 GLN N    N 121.794 0.034 1
       479  46  46 PRO HA   H   4.414 0.006 1
       480  46  46 PRO HB2  H   1.958 0.01  1
       481  46  46 PRO HB3  H   2.258 0.006 1
       482  46  46 PRO HG2  H   1.938 0.031 1
       483  46  46 PRO HG3  H   2.015 0.019 1
       484  46  46 PRO HD2  H   3.699 0.007 1
       485  46  46 PRO HD3  H   3.699 0.007 1
       486  46  46 PRO C    C 177.326 0.007 1
       487  46  46 PRO CA   C  63.963 0.023 1
       488  46  46 PRO CB   C  32.314 0.037 1
       489  46  46 PRO CG   C  27.601 0.015 1
       490  46  46 PRO CD   C  50.800 0.023 1
       491  47  47 GLU H    H   8.407 0.002 1
       492  47  47 GLU HA   H   4.191 0.005 1
       493  47  47 GLU HB2  H   1.949 0.006 1
       494  47  47 GLU HB3  H   2.032 0.004 1
       495  47  47 GLU HG2  H   2.260 0.007 1
       496  47  47 GLU HG3  H   2.260 0.007 1
       497  47  47 GLU C    C 176.467 0.013 1
       498  47  47 GLU CA   C  57.556 0.031 1
       499  47  47 GLU CB   C  30.326 0.051 1
       500  47  47 GLU CG   C  36.296 0.002 1
       501  47  47 GLU N    N 119.307 0.035 1
       502  48  48 ASP H    H   8.074 0.006 1
       503  48  48 ASP HA   H   4.560 0.013 1
       504  48  48 ASP HB2  H   2.596 0.003 1
       505  48  48 ASP HB3  H   2.703 0.005 1
       506  48  48 ASP C    C 175.850 0.007 1
       507  48  48 ASP CA   C  54.766 0.05  1
       508  48  48 ASP CB   C  41.302 0.029 1
       509  48  48 ASP N    N 118.934 0.021 1
       510  49  49 ASN H    H   8.110 0.003 1
       511  49  49 ASN HA   H   4.647 0.003 1
       512  49  49 ASN HB2  H   2.740 0.004 1
       513  49  49 ASN HB3  H   2.827 0.008 1
       514  49  49 ASN HD21 H   6.772 0.001 1
       515  49  49 ASN HD22 H   7.414 0.001 1
       516  49  49 ASN C    C 174.962 0.009 1
       517  49  49 ASN CA   C  53.932 0.035 1
       518  49  49 ASN CB   C  39.241 0.029 1
       519  49  49 ASN N    N 117.585 0.026 1
       520  49  49 ASN ND2  N 112.250 0.011 1
       521  50  50 LYS H    H   8.029 0.008 1
       522  50  50 LYS HA   H   4.275 0.023 1
       523  50  50 LYS HB2  H   1.803 0.018 1
       524  50  50 LYS HB3  H   1.841 0.021 1
       525  50  50 LYS HG2  H   1.409 0.023 1
       526  50  50 LYS HG3  H   1.456 0.015 1
       527  50  50 LYS HD2  H   1.668 0.007 1
       528  50  50 LYS HD3  H   1.668 0.007 1
       529  50  50 LYS HE2  H   2.986 0.004 1
       530  50  50 LYS HE3  H   2.986 0.004 1
       531  50  50 LYS C    C 176.971 0.015 1
       532  50  50 LYS CA   C  56.989 0.08  1
       533  50  50 LYS CB   C  33.145 0.023 1
       534  50  50 LYS CG   C  24.953 0.019 1
       535  50  50 LYS CD   C  29.347 0.016 1
       536  50  50 LYS CE   C  42.518 0.018 1
       537  50  50 LYS N    N 120.043 0.027 1
       538  51  51 GLY H    H   8.225 0.005 1
       539  51  51 GLY HA2  H   4.014 0.003 1
       540  51  51 GLY HA3  H   4.014 0.003 1
       541  51  51 GLY C    C 175.324 0.008 1
       542  51  51 GLY CA   C  46.049 0.044 1
       543  51  51 GLY N    N 109.126 0.032 1
       544  52  52 VAL H    H   7.876 0.009 1
       545  52  52 VAL HA   H   3.836 0.005 1
       546  52  52 VAL HB   H   1.899 0.004 1
       547  52  52 VAL HG1  H   0.627 0.015 1
       548  52  52 VAL HG2  H   0.790 0.017 1
       549  52  52 VAL C    C 176.420 0.0   1
       550  52  52 VAL CA   C  64.595 0.041 1
       551  52  52 VAL CB   C  32.282 0.05  1
       552  52  52 VAL CG1  C  21.122 0.036 1
       553  52  52 VAL CG2  C  21.374 0.041 1
       554  52  52 VAL N    N 119.388 0.043 1
       555  53  53 PHE H    H   7.971 0.003 1
       556  53  53 PHE HA   H   4.555 0.022 1
       557  53  53 PHE HB2  H   3.051 0.005 1
       558  53  53 PHE HB3  H   3.254 0.007 1
       559  53  53 PHE HD1  H   7.251 0.007 3
       560  53  53 PHE HD2  H   7.251 0.007 3
       561  53  53 PHE HE1  H   7.235 0.005 3
       562  53  53 PHE HE2  H   7.235 0.005 3
       563  53  53 PHE HZ   H   7.148  .    1
       564  53  53 PHE C    C 176.570 0.008 1
       565  53  53 PHE CA   C  59.014 0.038 1
       566  53  53 PHE CB   C  38.723 0.038 1
       567  53  53 PHE CD1  C 132.392 0.101 3
       568  53  53 PHE CD2  C 132.392 0.101 3
       569  53  53 PHE CE1  C 131.560  .    3
       570  53  53 PHE CE2  C 131.560  .    3
       571  53  53 PHE CZ   C 129.923  .    1
       572  53  53 PHE N    N 118.046 0.024 1
       573  54  54 GLN H    H   7.915 0.006 1
       574  54  54 GLN HA   H   4.136 0.007 1
       575  54  54 GLN HB2  H   2.069 0.01  1
       576  54  54 GLN HB3  H   2.083 0.012 1
       577  54  54 GLN HG2  H   2.389 0.007 1
       578  54  54 GLN HG3  H   2.390 0.004 1
       579  54  54 GLN HE21 H   6.720 0.001 1
       580  54  54 GLN HE22 H   7.494 0.007 1
       581  54  54 GLN C    C 177.313 0.001 1
       582  54  54 GLN CA   C  57.877 0.046 1
       583  54  54 GLN CB   C  29.053 0.041 1
       584  54  54 GLN CG   C  33.959 0.111 1
       585  54  54 GLN N    N 119.244 0.027 1
       586  54  54 GLN NE2  N 112.331 0.008 1
       587  55  55 GLY H    H   8.067 0.004 1
       588  55  55 GLY HA2  H   3.941 0.008 1
       589  55  55 GLY HA3  H   3.946 0.006 1
       590  55  55 GLY C    C 175.419 0.009 1
       591  55  55 GLY CA   C  46.411 0.019 1
       592  55  55 GLY N    N 107.662 0.033 1
       593  56  56 VAL H    H   7.712 0.005 1
       594  56  56 VAL HA   H   3.936 0.009 1
       595  56  56 VAL HB   H   2.115 0.004 1
       596  56  56 VAL HG1  H   0.892 0.019 1
       597  56  56 VAL HG2  H   0.961 0.003 1
       598  56  56 VAL C    C 176.576 0.0   1
       599  56  56 VAL CA   C  64.435 0.079 1
       600  56  56 VAL CB   C  32.220 0.046 1
       601  56  56 VAL CG1  C  21.549 0.012 1
       602  56  56 VAL CG2  C  21.709 0.071 1
       603  56  56 VAL N    N 119.018 0.074 1
       604  57  57 HIS H    H   8.150 0.005 1
       605  57  57 HIS HA   H   4.509 0.019 1
       606  57  57 HIS HB2  H   3.118 0.004 1
       607  57  57 HIS HB3  H   3.318 0.006 1
       608  57  57 HIS C    C 175.141 0.019 1
       609  57  57 HIS CA   C  57.112 0.038 1
       610  57  57 HIS CB   C  29.084 0.041 1
       611  57  57 HIS N    N 118.867 0.029 1
       612  58  58 ASP H    H   8.267 0.01  1
       613  58  58 ASP HA   H   4.534 0.003 1
       614  58  58 ASP HB2  H   2.696 0.004 1
       615  58  58 ASP HB3  H   2.696 0.004 1
       616  58  58 ASP C    C 177.204 0.001 1
       617  58  58 ASP CA   C  55.583 0.036 1
       618  58  58 ASP CB   C  41.135 0.042 1
       619  58  58 ASP N    N 120.312 0.029 1
       620  59  59 SER H    H   8.067 0.011 1
       621  59  59 SER HA   H   4.320 0.008 1
       622  59  59 SER HB2  H   3.871 0.007 1
       623  59  59 SER HB3  H   3.947 0.004 1
       624  59  59 SER C    C 175.123 0.002 1
       625  59  59 SER CA   C  60.090 0.026 1
       626  59  59 SER CB   C  63.938 0.072 1
       627  59  59 SER N    N 116.227 0.033 1
       628  60  60 ALA H    H   8.135 0.014 1
       629  60  60 ALA HA   H   4.218 0.009 1
       630  60  60 ALA HB   H   1.411 0.007 1
       631  60  60 ALA C    C 178.230 0.015 1
       632  60  60 ALA CA   C  53.782 0.029 1
       633  60  60 ALA CB   C  19.148 0.038 1
       634  60  60 ALA N    N 124.907 0.032 1
       635  61  61 GLU H    H   8.019 0.011 1
       636  61  61 GLU HA   H   4.176 0.008 1
       637  61  61 GLU HB2  H   1.950 0.013 1
       638  61  61 GLU HB3  H   2.039 0.02  1
       639  61  61 GLU HG2  H   2.215 0.008 1
       640  61  61 GLU HG3  H   2.257 0.002 1
       641  61  61 GLU C    C 177.070 0.006 1
       642  61  61 GLU CA   C  57.388 0.035 1
       643  61  61 GLU CB   C  30.066 0.085 1
       644  61  61 GLU CG   C  36.277 0.002 1
       645  61  61 GLU N    N 118.188 0.061 1
       646  62  62 LYS H    H   7.891 0.01  1
       647  62  62 LYS HA   H   4.272 0.005 1
       648  62  62 LYS HB2  H   1.839 0.011 1
       649  62  62 LYS HB3  H   1.847 0.008 1
       650  62  62 LYS HG2  H   1.409 0.004 1
       651  62  62 LYS HG3  H   1.452 0.022 1
       652  62  62 LYS HD2  H   1.664 0.003 1
       653  62  62 LYS HD3  H   1.664 0.003 1
       654  62  62 LYS HE2  H   2.984 0.0   1
       655  62  62 LYS HE3  H   2.984 0.0   1
       656  62  62 LYS C    C 177.528 0.001 1
       657  62  62 LYS CA   C  57.056 0.071 1
       658  62  62 LYS CB   C  33.032 0.025 1
       659  62  62 LYS N    N 120.594 0.053 1
       660  63  63 GLY H    H   8.220 0.004 1
       661  63  63 GLY HA2  H   3.898 0.018 1
       662  63  63 GLY HA3  H   3.937 0.009 1
       663  63  63 GLY C    C 174.472 0.001 1
       664  63  63 GLY CA   C  45.970 0.02  1
       665  63  63 GLY N    N 108.737 0.043 1
       666  64  64 LYS H    H   7.952 0.006 1
       667  64  64 LYS HA   H   4.278 0.006 1
       668  64  64 LYS HB2  H   1.760 0.011 1
       669  64  64 LYS HB3  H   1.851 0.008 1
       670  64  64 LYS HG2  H   1.405  .    1
       671  64  64 LYS HG3  H   1.452  .    1
       672  64  64 LYS HD2  H   1.663  .    1
       673  64  64 LYS HD3  H   1.663  .    1
       674  64  64 LYS HE2  H   2.984  .    1
       675  64  64 LYS HE3  H   2.984  .    1
       676  64  64 LYS C    C 176.669 0.011 1
       677  64  64 LYS CA   C  56.999 0.038 1
       678  64  64 LYS CB   C  33.137 0.023 1
       679  64  64 LYS N    N 120.373 0.033 1
       680  65  65 ASP H    H   8.226 0.004 1
       681  65  65 ASP HA   H   4.554 0.011 1
       682  65  65 ASP HB2  H   2.615 0.014 1
       683  65  65 ASP HB3  H   2.677 0.011 1
       684  65  65 ASP C    C 176.291 0.009 1
       685  65  65 ASP CA   C  54.984 0.043 1
       686  65  65 ASP CB   C  41.254 0.022 1
       687  65  65 ASP N    N 120.512 0.032 1
       688  66  66 ASN H    H   8.149 0.005 1
       689  66  66 ASN HA   H   4.661 0.006 1
       690  66  66 ASN HB2  H   2.751 0.019 1
       691  66  66 ASN HB3  H   2.813 0.015 1
       692  66  66 ASN HD21 H   6.794 0.009 1
       693  66  66 ASN HD22 H   7.453 0.023 1
       694  66  66 ASN C    C 175.327 0.025 1
       695  66  66 ASN CA   C  53.669 0.043 1
       696  66  66 ASN CB   C  39.256 0.054 1
       697  66  66 ASN N    N 118.763 0.039 1
       698  66  66 ASN ND2  N 112.351 0.01  1
       699  67  67 ALA H    H   8.138 0.007 1
       700  67  67 ALA HA   H   4.270 0.005 1
       701  67  67 ALA HB   H   1.393 0.005 1
       702  67  67 ALA C    C 177.940 0.011 1
       703  67  67 ALA CA   C  53.360 0.161 1
       704  67  67 ALA CB   C  19.376 0.014 1
       705  67  67 ALA N    N 123.984 0.027 1
       706  68  68 GLU H    H   8.210 0.002 1
       707  68  68 GLU HA   H   4.252 0.007 1
       708  68  68 GLU HB2  H   1.955 0.007 1
       709  68  68 GLU HB3  H   2.068 0.007 1
       710  68  68 GLU HG2  H   2.250 0.016 1
       711  68  68 GLU HG3  H   2.244 0.005 1
       712  68  68 GLU C    C 177.260 0.005 1
       713  68  68 GLU CA   C  57.188 0.082 1
       714  68  68 GLU CB   C  30.159 0.036 1
       715  68  68 GLU CG   C  36.297 0.009 1
       716  68  68 GLU N    N 119.013 0.043 1
       717  69  69 GLY H    H   8.218 0.006 1
       718  69  69 GLY HA2  H   3.954 0.016 1
       719  69  69 GLY HA3  H   3.973 0.015 1
       720  69  69 GLY C    C 174.375 0.009 1
       721  69  69 GLY CA   C  45.797 0.021 1
       722  69  69 GLY N    N 109.458 0.037 1
       723  70  70 GLN H    H   8.127 0.005 1
       724  70  70 GLN HA   H   4.371 0.004 1
       725  70  70 GLN HB2  H   1.980 0.01  1
       726  70  70 GLN HB3  H   2.150 0.006 1
       727  70  70 GLN HG2  H   2.339 0.009 1
       728  70  70 GLN HG3  H   2.339 0.009 1
       729  70  70 GLN HE22 H   7.392  .    1
       730  70  70 GLN C    C 176.483 0.013 1
       731  70  70 GLN CA   C  56.146 0.032 1
       732  70  70 GLN CB   C  29.733 0.027 1
       733  70  70 GLN CG   C  34.085 0.017 1
       734  70  70 GLN N    N 119.492 0.03  1
       735  71  71 GLY H    H   8.346 0.004 1
       736  71  71 GLY HA2  H   3.936 0.007 1
       737  71  71 GLY HA3  H   3.950 0.011 1
       738  71  71 GLY C    C 173.934 0.003 1
       739  71  71 GLY CA   C  45.752 0.064 1
       740  71  71 GLY N    N 109.805 0.027 1
       741  72  72 GLU H    H   8.159 0.009 1
       742  72  72 GLU HA   H   4.402 0.018 1
       743  72  72 GLU HB2  H   1.937 0.006 1
       744  72  72 GLU HB3  H   2.081 0.025 1
       745  72  72 GLU HG2  H   2.309 0.004 1
       746  72  72 GLU HG3  H   2.309 0.004 1
       747  72  72 GLU C    C 176.537 0.011 1
       748  72  72 GLU CA   C  56.619 0.034 1
       749  72  72 GLU CB   C  30.707 0.046 1
       750  72  72 GLU CG   C  35.804 0.008 1
       751  72  72 GLU N    N 120.393 0.031 1
       752  73  73 SER H    H   8.662 0.013 1
       753  73  73 SER HA   H   4.547 0.005 1
       754  73  73 SER HB2  H   3.977 0.004 1
       755  73  73 SER HB3  H   4.236 0.005 1
       756  73  73 SER C    C 175.424 0.007 1
       757  73  73 SER CA   C  58.241 0.025 1
       758  73  73 SER CB   C  64.849 0.042 1
       759  73  73 SER N    N 118.037 0.118 1
       760  74  74 LEU H    H   8.462 0.013 1
       761  74  74 LEU HA   H   4.168 0.006 1
       762  74  74 LEU HB2  H   1.582 0.009 1
       763  74  74 LEU HB3  H   1.804 0.004 1
       764  74  74 LEU HG   H   1.726 0.005 1
       765  74  74 LEU HD1  H   0.903 0.008 1
       766  74  74 LEU HD2  H   0.954 0.008 1
       767  74  74 LEU C    C 178.486 0.017 1
       768  74  74 LEU CA   C  58.179 0.042 1
       769  74  74 LEU CB   C  42.078 0.037 1
       770  74  74 LEU CG   C  27.526 0.028 1
       771  74  74 LEU CD1  C  24.458 0.057 1
       772  74  74 LEU CD2  C  25.085 0.029 1
       773  74  74 LEU N    N 124.133 0.035 1
       774  75  75 ALA H    H   8.102 0.008 1
       775  75  75 ALA HA   H   3.952 0.004 1
       776  75  75 ALA HB   H   1.395 0.03  1
       777  75  75 ALA C    C 179.117 0.017 1
       778  75  75 ALA CA   C  55.469 0.021 1
       779  75  75 ALA CB   C  18.707 0.033 1
       780  75  75 ALA N    N 120.053 0.024 1
       781  76  76 ASP H    H   7.705 0.004 1
       782  76  76 ASP HA   H   4.372 0.005 1
       783  76  76 ASP HB2  H   2.728 0.009 1
       784  76  76 ASP HB3  H   2.787 0.003 1
       785  76  76 ASP C    C 178.501 0.009 1
       786  76  76 ASP CA   C  57.306 0.028 1
       787  76  76 ASP CB   C  40.629 0.031 1
       788  76  76 ASP N    N 117.182 0.032 1
       789  77  77 GLN H    H   7.967 0.013 1
       790  77  77 GLN HA   H   4.113 0.007 1
       791  77  77 GLN HB2  H   2.132 0.013 1
       792  77  77 GLN HB3  H   2.131 0.012 1
       793  77  77 GLN HG2  H   2.265 0.006 1
       794  77  77 GLN HG3  H   2.399 0.012 1
       795  77  77 GLN HE21 H   6.660  .    1
       796  77  77 GLN HE22 H   6.865  .    1
       797  77  77 GLN C    C 178.079 0.017 1
       798  77  77 GLN CA   C  58.740 0.063 1
       799  77  77 GLN CB   C  29.509 0.026 1
       800  77  77 GLN CG   C  34.745 0.053 1
       801  77  77 GLN N    N 119.452 0.06  1
       802  78  78 ALA H    H   8.448 0.007 1
       803  78  78 ALA HA   H   4.112 0.005 1
       804  78  78 ALA HB   H   1.490 0.013 1
       805  78  78 ALA C    C 179.095 0.001 1
       806  78  78 ALA CA   C  55.422 0.031 1
       807  78  78 ALA CB   C  18.663 0.017 1
       808  78  78 ALA N    N 121.361 0.026 1
       809  79  79 ARG H    H   8.043 0.005 1
       810  79  79 ARG HA   H   3.971 0.007 1
       811  79  79 ARG HB2  H   1.925 0.01  1
       812  79  79 ARG HB3  H   1.925 0.01  1
       813  79  79 ARG HG2  H   1.620 0.013 1
       814  79  79 ARG HG3  H   1.866 0.017 1
       815  79  79 ARG HD2  H   3.227 0.018 1
       816  79  79 ARG HD3  H   3.233 0.014 1
       817  79  79 ARG HE   H   7.125 0.002 1
       818  79  79 ARG C    C 179.088  .    1
       819  79  79 ARG CA   C  59.919 0.041 1
       820  79  79 ARG CB   C  30.313 0.136 1
       821  79  79 ARG CG   C  28.615 0.041 1
       822  79  79 ARG CD   C  43.626 0.013 1
       823  79  79 ARG CZ   C 159.547  .    1
       824  79  79 ARG N    N 116.956 0.029 1
       825  79  79 ARG NE   N  84.738 0.029 1
       826  80  80 ASP H    H   7.966 0.004 1
       827  80  80 ASP HA   H   4.469 0.006 1
       828  80  80 ASP HB2  H   2.581 0.005 1
       829  80  80 ASP HB3  H   2.728 0.007 1
       830  80  80 ASP C    C 179.031 0.009 1
       831  80  80 ASP CA   C  57.167 0.046 1
       832  80  80 ASP CB   C  40.219 0.041 1
       833  80  80 ASP N    N 120.753 0.026 1
       834  81  81 TYR H    H   8.090 0.015 1
       835  81  81 TYR HA   H   4.416 0.016 1
       836  81  81 TYR HB2  H   3.070 0.003 1
       837  81  81 TYR HB3  H   3.071 0.004 1
       838  81  81 TYR HD1  H   7.082 0.002 3
       839  81  81 TYR HD2  H   7.082 0.002 3
       840  81  81 TYR HE1  H   6.795  .    3
       841  81  81 TYR HE2  H   6.795  .    3
       842  81  81 TYR C    C 177.906 0.002 1
       843  81  81 TYR CA   C  61.003 0.047 1
       844  81  81 TYR CB   C  38.562 0.019 1
       845  81  81 TYR CD1  C 133.056 0.064 3
       846  81  81 TYR CD2  C 133.056 0.064 3
       847  81  81 TYR CE1  C 118.791  .    3
       848  81  81 TYR CE2  C 118.791  .    3
       849  81  81 TYR N    N 120.169 0.034 1
       850  82  82 MET H    H   8.356 0.007 1
       851  82  82 MET HA   H   4.212 0.005 1
       852  82  82 MET HB2  H   2.587 0.004 1
       853  82  82 MET HB3  H   2.711 0.005 1
       854  82  82 MET HG2  H   2.157 0.008 1
       855  82  82 MET HG3  H   2.236 0.006 1
       856  82  82 MET C    C 178.201 0.025 1
       857  82  82 MET CA   C  59.004 0.025 1
       858  82  82 MET CB   C  33.033 0.132 1
       859  82  82 MET CG   C  32.904 0.101 1
       860  82  82 MET N    N 118.378 0.047 1
       861  83  83 GLY H    H   8.255 0.005 1
       862  83  83 GLY HA2  H   3.837 0.003 1
       863  83  83 GLY HA3  H   3.993 0.007 1
       864  83  83 GLY C    C 176.717 0.017 1
       865  83  83 GLY CA   C  47.488 0.045 1
       866  83  83 GLY N    N 106.544 0.031 1
       867  84  84 ALA H    H   7.840 0.005 1
       868  84  84 ALA HA   H   4.265 0.005 1
       869  84  84 ALA HB   H   1.561 0.007 1
       870  84  84 ALA C    C 180.192 0.005 1
       871  84  84 ALA CA   C  54.802 0.038 1
       872  84  84 ALA CB   C  18.658 0.019 1
       873  84  84 ALA N    N 125.254 0.037 1
       874  85  85 ALA H    H   8.285 0.012 1
       875  85  85 ALA HA   H   3.993 0.004 1
       876  85  85 ALA HB   H   1.506 0.007 1
       877  85  85 ALA C    C 178.884 0.011 1
       878  85  85 ALA CA   C  55.452 0.019 1
       879  85  85 ALA CB   C  18.616 0.021 1
       880  85  85 ALA N    N 121.168 0.046 1
       881  86  86 LYS H    H   8.306 0.005 1
       882  86  86 LYS HA   H   3.853 0.016 1
       883  86  86 LYS HB2  H   1.942 0.018 1
       884  86  86 LYS HB3  H   2.006 0.016 1
       885  86  86 LYS HG2  H   1.469 0.008 1
       886  86  86 LYS HG3  H   1.587 0.007 1
       887  86  86 LYS HD2  H   1.761 0.03  1
       888  86  86 LYS HD3  H   1.753 0.029 1
       889  86  86 LYS HE2  H   2.998 0.006 1
       890  86  86 LYS HE3  H   2.998 0.006 1
       891  86  86 LYS C    C 178.470 0.003 1
       892  86  86 LYS CA   C  60.393 0.043 1
       893  86  86 LYS CB   C  32.442 0.011 1
       894  86  86 LYS CG   C  25.767 0.075 1
       895  86  86 LYS CD   C  29.712 0.023 1
       896  86  86 LYS N    N 116.851 0.032 1
       897  87  87 SER H    H   7.804 0.012 1
       898  87  87 SER HA   H   4.284 0.005 1
       899  87  87 SER HB2  H   4.027 0.01  1
       900  87  87 SER HB3  H   4.027 0.01  1
       901  87  87 SER C    C 176.485  .    1
       902  87  87 SER CA   C  61.764 0.051 1
       903  87  87 SER CB   C  63.237 0.034 1
       904  87  87 SER N    N 113.477 0.032 1
       905  88  88 LYS H    H   7.790 0.004 1
       906  88  88 LYS HA   H   4.325 0.011 1
       907  88  88 LYS HB2  H   1.905 0.009 1
       908  88  88 LYS HB3  H   1.995 0.006 1
       909  88  88 LYS HG2  H   1.562 0.047 1
       910  88  88 LYS HG3  H   1.588 0.008 1
       911  88  88 LYS HD2  H   1.541 0.003 1
       912  88  88 LYS HD3  H   1.541 0.003 1
       913  88  88 LYS HE2  H   2.995 0.0   1
       914  88  88 LYS HE3  H   2.995 0.0   1
       915  88  88 LYS C    C 178.554 0.041 1
       916  88  88 LYS CA   C  57.817 0.06  1
       917  88  88 LYS CB   C  32.092 0.03  1
       918  88  88 LYS CG   C  25.487 0.005 1
       919  88  88 LYS N    N 120.750 0.026 1
       920  89  89 LEU H    H   8.126 0.008 1
       921  89  89 LEU HA   H   4.072 0.007 1
       922  89  89 LEU HB2  H   1.786 0.021 1
       923  89  89 LEU HB3  H   1.787 0.02  1
       924  89  89 LEU HG   H   1.788 0.004 1
       925  89  89 LEU HD1  H   0.902 0.005 1
       926  89  89 LEU HD2  H   0.904 0.005 1
       927  89  89 LEU C    C 178.290 0.054 1
       928  89  89 LEU CA   C  58.349 0.031 1
       929  89  89 LEU CB   C  41.785 0.032 1
       930  89  89 LEU CG   C  27.311 0.054 1
       931  89  89 LEU CD1  C  24.875 0.035 1
       932  89  89 LEU CD2  C  24.878 0.035 1
       933  89  89 LEU N    N 119.827 0.039 1
       934  90  90 ASN H    H   8.160 0.006 1
       935  90  90 ASN HA   H   4.370 0.01  1
       936  90  90 ASN HB2  H   2.909 0.03  1
       937  90  90 ASN HB3  H   2.911 0.03  1
       938  90  90 ASN HD21 H   6.763  .    1
       939  90  90 ASN HD22 H   7.488  .    1
       940  90  90 ASN C    C 177.721 0.009 1
       941  90  90 ASN CA   C  57.322 0.022 1
       942  90  90 ASN CB   C  39.100 0.048 1
       943  90  90 ASN N    N 116.901 0.034 1
       944  91  91 ASP H    H   7.979 0.017 1
       945  91  91 ASP HA   H   4.434 0.006 1
       946  91  91 ASP HB2  H   2.719 0.005 1
       947  91  91 ASP HB3  H   2.929 0.006 1
       948  91  91 ASP C    C 178.764 0.012 1
       949  91  91 ASP CA   C  57.530 0.016 1
       950  91  91 ASP CB   C  40.227 0.069 1
       951  91  91 ASP N    N 119.712 0.039 1
       952  92  92 ALA H    H   8.198 0.013 1
       953  92  92 ALA HA   H   4.180 0.008 1
       954  92  92 ALA HB   H   1.577 0.029 1
       955  92  92 ALA C    C 178.973 0.004 1
       956  92  92 ALA CA   C  55.667 0.018 1
       957  92  92 ALA CB   C  18.651 0.042 1
       958  92  92 ALA N    N 123.685 0.043 1
       959  93  93 VAL H    H   8.387 0.006 1
       960  93  93 VAL HA   H   3.573 0.004 1
       961  93  93 VAL HB   H   2.284 0.006 1
       962  93  93 VAL HG1  H   0.985 0.005 1
       963  93  93 VAL HG2  H   1.116 0.004 1
       964  93  93 VAL C    C 178.787  .    1
       965  93  93 VAL CA   C  67.300 0.039 1
       966  93  93 VAL CB   C  31.946 0.094 1
       967  93  93 VAL CG1  C  21.552 0.009 1
       968  93  93 VAL CG2  C  23.297 0.046 1
       969  93  93 VAL N    N 118.048 0.035 1
       970  94  94 GLU H    H   8.124 0.006 1
       971  94  94 GLU HA   H   4.027 0.007 1
       972  94  94 GLU HB2  H   2.133 0.014 1
       973  94  94 GLU HB3  H   2.148 0.017 1
       974  94  94 GLU HG2  H   2.429 0.008 1
       975  94  94 GLU HG3  H   2.429 0.008 1
       976  94  94 GLU C    C 179.323 0.014 1
       977  94  94 GLU CA   C  59.800 0.021 1
       978  94  94 GLU CB   C  29.433 0.065 1
       979  94  94 GLU CG   C  36.226 0.003 1
       980  94  94 GLU N    N 120.276 0.027 1
       981  95  95 TYR H    H   8.146 0.004 1
       982  95  95 TYR HA   H   4.205 0.022 1
       983  95  95 TYR HB2  H   3.239 0.005 1
       984  95  95 TYR HB3  H   3.239 0.005 1
       985  95  95 TYR HD1  H   7.057 0.005 3
       986  95  95 TYR HD2  H   7.057 0.005 3
       987  95  95 TYR HE1  H   6.746 0.007 3
       988  95  95 TYR HE2  H   6.746 0.007 3
       989  95  95 TYR C    C 178.407 0.003 1
       990  95  95 TYR CA   C  61.732 0.021 1
       991  95  95 TYR CB   C  38.756 0.033 1
       992  95  95 TYR CD1  C 133.780 0.062 3
       993  95  95 TYR CD2  C 133.780 0.062 3
       994  95  95 TYR CE1  C 118.676 0.022 3
       995  95  95 TYR CE2  C 118.676 0.022 3
       996  95  95 TYR N    N 120.732 0.022 1
       997  96  96 VAL H    H   8.453 0.005 1
       998  96  96 VAL HA   H   3.459 0.007 1
       999  96  96 VAL HB   H   2.203 0.021 1
      1000  96  96 VAL HG1  H   0.972 0.019 1
      1001  96  96 VAL HG2  H   1.216 0.021 1
      1002  96  96 VAL C    C 177.748 0.005 1
      1003  96  96 VAL CA   C  66.851 0.046 1
      1004  96  96 VAL CB   C  32.116 0.052 1
      1005  96  96 VAL CG1  C  22.401 0.025 1
      1006  96  96 VAL CG2  C  23.415 0.025 1
      1007  96  96 VAL N    N 118.420 0.043 1
      1008  97  97 SER H    H   8.593 0.003 1
      1009  97  97 SER HA   H   4.039 0.009 1
      1010  97  97 SER HB2  H   3.984 0.025 1
      1011  97  97 SER HB3  H   3.984 0.025 1
      1012  97  97 SER C    C 176.926  .    1
      1013  97  97 SER CA   C  61.981 0.037 1
      1014  97  97 SER CB   C  63.420 0.036 1
      1015  97  97 SER N    N 114.411 0.026 1
      1016  98  98 GLY H    H   7.881 0.006 1
      1017  98  98 GLY HA2  H   3.904 0.025 1
      1018  98  98 GLY HA3  H   3.910 0.025 1
      1019  98  98 GLY C    C 175.568 0.002 1
      1020  98  98 GLY CA   C  46.697 0.035 1
      1021  98  98 GLY N    N 107.474 0.026 1
      1022  99  99 ARG H    H   7.563 0.006 1
      1023  99  99 ARG HA   H   4.175 0.008 1
      1024  99  99 ARG HB2  H   1.746 0.01  1
      1025  99  99 ARG HB3  H   1.838 0.005 1
      1026  99  99 ARG HG2  H   1.474 0.006 1
      1027  99  99 ARG HG3  H   1.474 0.006 1
      1028  99  99 ARG HD2  H   2.947 0.006 1
      1029  99  99 ARG HD3  H   3.071 0.007 1
      1030  99  99 ARG HE   H   7.100 0.002 1
      1031  99  99 ARG C    C 177.899 0.009 1
      1032  99  99 ARG CA   C  57.319 0.035 1
      1033  99  99 ARG CB   C  30.321 0.061 1
      1034  99  99 ARG CG   C  27.226 0.097 1
      1035  99  99 ARG CD   C  42.833 0.017 1
      1036  99  99 ARG CZ   C 159.562  .    1
      1037  99  99 ARG N    N 119.821 0.035 1
      1038  99  99 ARG NE   N  83.776 0.023 1
      1039 100 100 VAL H    H   7.841 0.008 1
      1040 100 100 VAL HA   H   3.924 0.005 1
      1041 100 100 VAL HB   H   2.001 0.005 1
      1042 100 100 VAL HG1  H   0.753 0.004 1
      1043 100 100 VAL HG2  H   0.875 0.003 1
      1044 100 100 VAL C    C 176.316 0.013 1
      1045 100 100 VAL CA   C  64.154 0.03  1
      1046 100 100 VAL CB   C  32.405 0.053 1
      1047 100 100 VAL CG1  C  21.355 0.015 1
      1048 100 100 VAL CG2  C  21.473 0.065 1
      1049 100 100 VAL N    N 116.362 0.028 1
      1050 101 101 HIS H    H   7.991 0.007 1
      1051 101 101 HIS HA   H   4.773 0.005 1
      1052 101 101 HIS HB2  H   3.193 0.003 1
      1053 101 101 HIS HB3  H   3.362 0.004 1
      1054 101 101 HIS C    C 175.212 0.008 1
      1055 101 101 HIS CA   C  55.786 0.027 1
      1056 101 101 HIS CB   C  29.160 0.029 1
      1057 101 101 HIS N    N 117.182 0.021 1
      1058 102 102 GLY H    H   7.927 0.007 1
      1059 102 102 GLY HA2  H   3.935 0.004 1
      1060 102 102 GLY HA3  H   4.051 0.015 1
      1061 102 102 GLY C    C 174.136 0.004 1
      1062 102 102 GLY CA   C  45.883 0.046 1
      1063 102 102 GLY N    N 108.994 0.027 1
      1064 103 103 GLU H    H   8.245 0.016 1
      1065 103 103 GLU HA   H   4.293 0.004 1
      1066 103 103 GLU HB2  H   1.885 0.004 1
      1067 103 103 GLU HB3  H   2.023 0.005 1
      1068 103 103 GLU HG2  H   2.230 0.004 1
      1069 103 103 GLU HG3  H   2.230 0.004 1
      1070 103 103 GLU C    C 176.440 0.012 1
      1071 103 103 GLU CA   C  56.601 0.05  1
      1072 103 103 GLU CB   C  30.710 0.072 1
      1073 103 103 GLU CG   C  36.298 0.007 1
      1074 103 103 GLU N    N 120.312 0.023 1
      1075 104 104 GLU H    H   8.281 0.011 1
      1076 104 104 GLU HA   H   4.241 0.006 1
      1077 104 104 GLU HB2  H   1.890 0.008 1
      1078 104 104 GLU HB3  H   1.978 0.01  1
      1079 104 104 GLU HG2  H   2.173 0.001 1
      1080 104 104 GLU HG3  H   2.220 0.003 1
      1081 104 104 GLU C    C 175.801 0.01  1
      1082 104 104 GLU CA   C  56.608 0.035 1
      1083 104 104 GLU CB   C  30.637 0.08  1
      1084 104 104 GLU CG   C  36.291 0.004 1
      1085 104 104 GLU N    N 121.826 0.04  1
      1086 105 105 ASP H    H   8.266 0.013 1
      1087 105 105 ASP HA   H   4.877 0.004 1
      1088 105 105 ASP HB2  H   2.578 0.006 1
      1089 105 105 ASP HB3  H   2.770 0.008 1
      1090 105 105 ASP C    C 175.291  .    1
      1091 105 105 ASP CA   C  51.865 0.034 1
      1092 105 105 ASP CB   C  41.769 0.019 1
      1093 105 105 ASP N    N 122.426 0.034 1
      1094 106 106 PRO HA   H   4.461 0.037 1
      1095 106 106 PRO HB2  H   2.004 0.007 1
      1096 106 106 PRO HB3  H   2.289 0.004 1
      1097 106 106 PRO HG2  H   1.968 0.01  1
      1098 106 106 PRO HG3  H   2.013 0.012 1
      1099 106 106 PRO HD2  H   3.873 0.003 1
      1100 106 106 PRO HD3  H   3.873 0.003 1
      1101 106 106 PRO C    C 177.637 0.0   1
      1102 106 106 PRO CA   C  64.134 0.031 1
      1103 106 106 PRO CB   C  32.390 0.05  1
      1104 106 106 PRO CG   C  27.189 0.003 1
      1105 106 106 PRO CD   C  51.121 0.015 1
      1106 107 107 THR H    H   8.294 0.005 1
      1107 107 107 THR HA   H   4.254 0.008 1
      1108 107 107 THR HB   H   4.245 0.006 1
      1109 107 107 THR HG2  H   1.212 0.009 1
      1110 107 107 THR C    C 174.911 0.01  1
      1111 107 107 THR CA   C  63.014 0.048 1
      1112 107 107 THR CB   C  69.697 0.028 1
      1113 107 107 THR CG2  C  21.952 0.01  1
      1114 107 107 THR N    N 111.794 0.034 1
      1115 108 108 LYS H    H   7.674 0.003 1
      1116 108 108 LYS HA   H   4.322 0.004 1
      1117 108 108 LYS HB2  H   1.728 0.005 1
      1118 108 108 LYS HB3  H   1.892 0.006 1
      1119 108 108 LYS HG2  H   1.344 0.022 1
      1120 108 108 LYS HG3  H   1.401 0.013 1
      1121 108 108 LYS HD2  H   1.652 0.007 1
      1122 108 108 LYS HD3  H   1.642  .    1
      1123 108 108 LYS HE2  H   2.976 0.003 1
      1124 108 108 LYS HE3  H   2.976 0.003 1
      1125 108 108 LYS C    C 175.415 0.002 1
      1126 108 108 LYS CA   C  56.407 0.05  1
      1127 108 108 LYS CB   C  33.092 0.056 1
      1128 108 108 LYS N    N 122.991 0.033 1
      1129 109 109 LYS H    H   7.577 0.002 1
      1130 109 109 LYS HA   H   4.122 0.004 1
      1131 109 109 LYS HB2  H   1.667 0.004 1
      1132 109 109 LYS HB3  H   1.794 0.004 1
      1133 109 109 LYS HG2  H   1.361 0.003 1
      1134 109 109 LYS HG3  H   1.361 0.003 1
      1135 109 109 LYS HD2  H   1.628 0.017 1
      1136 109 109 LYS HD3  H   1.626 0.018 1
      1137 109 109 LYS HE2  H   2.959 0.012 1
      1138 109 109 LYS HE3  H   2.959 0.012 1
      1139 109 109 LYS C    C 181.190  .    1
      1140 109 109 LYS CA   C  57.857 0.026 1
      1141 109 109 LYS CB   C  33.944 0.073 1
      1142 109 109 LYS CG   C  24.911 0.083 1
      1143 109 109 LYS CD   C  29.279 0.035 1
      1144 109 109 LYS CE   C  42.512 0.016 1
      1145 109 109 LYS N    N 127.298 0.034 1

   stop_

save_