data_25897

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

save_entry_information
   _Saveframe_category      entry_information

   _Entry_title
;
Holo F2 TnC
;
   _BMRB_accession_number   25897
   _BMRB_flat_file_name     bmr25897.str
   _Entry_type              original
   _Submission_date         2015-11-12
   _Accession_date          2015-11-12
   _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 Sanfelice Domenico . .
      2 Pastore   Annalisa . .
      3 Bullard   Belinda  . .
      4 Adrover   Miguel   . .

   stop_

   loop_
      _Saveframe_category_type
      _Saveframe_category_type_count

      assigned_chemical_shifts 1

   stop_

   loop_
      _Data_type
      _Data_type_count

      "1H chemical shifts"  318
      "13C chemical shifts" 462
      "15N chemical shifts" 153

   stop_

   loop_
      _Revision_date
      _Revision_keyword
      _Revision_author
      _Revision_detail

      2016-10-19 update   BMRB   'update entry citation'
      2016-07-22 update   BMRB   'update entry citation'
      2016-01-29 original author 'original release'

   stop_

   loop_
      _Related_BMRB_accession_number
      _Relationship

      25875 'Backbone assignment of Calcium loaded C-terminus of Troponin C isoform 2'
      25878 'Holo N-terminal TnC F2 backbone assignment'
      25879 'Backbone assignment of Apo C-terminal F2-TnC'
      25880 'Backbone assignment of N-terminal fragment of F2-TnC from Lethocerus'
      25896 'Backbone Assignment of Apo Troponin C from Lethocerus Indicus'

   stop_

   _Original_release_date   2016-01-29

save_


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

save_entry_citation
   _Saveframe_category           entry_citation

   _Citation_full                .
   _Citation_title
;
Towards Understanding the Molecular Bases of Stretch Activation: A Structural comparison of the Two Troponin C Isoforms of Lethocerus
;
   _Citation_status              published
   _Citation_type                journal
   _CAS_abstract_code            .
   _MEDLINE_UI_code              .
   _PubMed_ID                    27226601

   loop_
      _Author_ordinal
      _Author_family_name
      _Author_given_name
      _Author_middle_initials
      _Author_family_title

      1 Sanfelice Domenico . .
      2 Pastore   Annalisa . .
      3 Bullard   Belinda  . .
      4 Adrover   Miguel   . .

   stop_

   _Journal_abbreviation        'J. Biol. Chem.'
   _Journal_volume               291
   _Journal_issue                31
   _Journal_CSD                  .
   _Book_chapter_title           .
   _Book_volume                  .
   _Book_series                  .
   _Book_ISBN                    .
   _Conference_state_province    .
   _Conference_abstract_number   .
   _Page_first                   16090
   _Page_last                    16099
   _Year                         2016
   _Details                      .

save_


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

save_assembly
   _Saveframe_category         molecular_system

   _Mol_system_name           'Holo F2 TnC'
   _Enzyme_commission_number   .

   loop_
      _Mol_system_component_name
      _Mol_label

      'Holo F2 TnC' $Holo_F2_TnC

   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_Holo_F2_TnC
   _Saveframe_category                          monomeric_polymer

   _Mol_type                                    polymer
   _Mol_polymer_class                           protein
   _Name_common                                 Holo_F2_TnC
   _Molecular_mass                              .
   _Mol_thiol_state                            'not present'

   loop_
      _Biological_function

      'calcium binding'

   stop_

   _Details                                     .

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

      _Residue_count                               158
   _Mol_residue_sequence
;
MVAMDDLDKDQIALLKRAFE
AFAQEKSYIEANMVGTILQM
LGHEVSDKQLTEIIVEVDAD
GSGQLEFEEFVTLAARFLTE
DNEEDSAAMMEELREAFRLY
DKDGNGYITTEVLREILKEL
DDKITPEDLDMMIQEIDSDG
SGTVDFDEFMEVMIGGDE
;

   loop_
      _Residue_seq_code
      _Residue_author_seq_code
      _Residue_label

        1   1 MET    2   2 VAL    3   3 ALA    4   4 MET    5   5 ASP
        6   6 ASP    7   7 LEU    8   8 ASP    9   9 LYS   10  10 ASP
       11  11 GLN   12  12 ILE   13  13 ALA   14  14 LEU   15  15 LEU
       16  16 LYS   17  17 ARG   18  18 ALA   19  19 PHE   20  20 GLU
       21  21 ALA   22  22 PHE   23  23 ALA   24  24 GLN   25  25 GLU
       26  26 LYS   27  27 SER   28  28 TYR   29  29 ILE   30  30 GLU
       31  31 ALA   32  32 ASN   33  33 MET   34  34 VAL   35  35 GLY
       36  36 THR   37  37 ILE   38  38 LEU   39  39 GLN   40  40 MET
       41  41 LEU   42  42 GLY   43  43 HIS   44  44 GLU   45  45 VAL
       46  46 SER   47  47 ASP   48  48 LYS   49  49 GLN   50  50 LEU
       51  51 THR   52  52 GLU   53  53 ILE   54  54 ILE   55  55 VAL
       56  56 GLU   57  57 VAL   58  58 ASP   59  59 ALA   60  60 ASP
       61  61 GLY   62  62 SER   63  63 GLY   64  64 GLN   65  65 LEU
       66  66 GLU   67  67 PHE   68  68 GLU   69  69 GLU   70  70 PHE
       71  71 VAL   72  72 THR   73  73 LEU   74  74 ALA   75  75 ALA
       76  76 ARG   77  77 PHE   78  78 LEU   79  79 THR   80  80 GLU
       81  81 ASP   82  82 ASN   83  83 GLU   84  84 GLU   85  85 ASP
       86  86 SER   87  87 ALA   88  88 ALA   89  89 MET   90  90 MET
       91  91 GLU   92  92 GLU   93  93 LEU   94  94 ARG   95  95 GLU
       96  96 ALA   97  97 PHE   98  98 ARG   99  99 LEU  100 100 TYR
      101 101 ASP  102 102 LYS  103 103 ASP  104 104 GLY  105 105 ASN
      106 106 GLY  107 107 TYR  108 108 ILE  109 109 THR  110 110 THR
      111 111 GLU  112 112 VAL  113 113 LEU  114 114 ARG  115 115 GLU
      116 116 ILE  117 117 LEU  118 118 LYS  119 119 GLU  120 120 LEU
      121 121 ASP  122 122 ASP  123 123 LYS  124 124 ILE  125 125 THR
      126 126 PRO  127 127 GLU  128 128 ASP  129 129 LEU  130 130 ASP
      131 131 MET  132 132 MET  133 133 ILE  134 134 GLN  135 135 GLU
      136 136 ILE  137 137 ASP  138 138 SER  139 139 ASP  140 140 GLY
      141 141 SER  142 142 GLY  143 143 THR  144 144 VAL  145 145 ASP
      146 146 PHE  147 147 ASP  148 148 GLU  149 149 PHE  150 150 MET
      151 151 GLU  152 152 VAL  153 153 MET  154 154 ILE  155 155 GLY
      156 156 GLY  157 157 ASP  158 158 GLU

   stop_

   _Sequence_homology_query_date                .
   _Sequence_homology_query_revised_last_date   .

save_


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

save_natural_source
   _Saveframe_category   natural_source


   loop_
      _Mol_label
      _Organism_name_common
      _NCBI_taxonomy_ID
      _Superkingdom
      _Kingdom
      _Genus
      _Species

      $Holo_F2_TnC 'Lethocerus Indicus' 212017 Eukaryota Metazoa Lethocerus Indicus

   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

      $Holo_F2_TnC 'recombinant technology' . Escherichia coli . pet11a

   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
      _Concentration_min_value
      _Concentration_max_value
      _Isotopic_labeling

      $Holo_F2_TnC   . mM 0.5 1.0 '[U-98% 13C; U-98% 15N]'
       D2O         10 %   .   .   [U-2H]
       H2O         90 %   .   .  'natural abundance'

   stop_

save_


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

save_XEASY
   _Saveframe_category   software

   _Name                 XEASY
   _Version              .

   loop_
      _Vendor
      _Address
      _Electronic_address

      'Bartels et al.' . .

   stop_

   loop_
      _Task

      'chemical shift assignment'

   stop_

   _Details              .

save_


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

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

save_spectrometer_1
   _Saveframe_category   NMR_spectrometer

   _Manufacturer         Bruker
   _Model                Avance
   _Field_strength       600
   _Details              .

save_


save_spectrometer_2
   _Saveframe_category   NMR_spectrometer

   _Manufacturer         Bruker
   _Model                Avance
   _Field_strength       700
   _Details              .

save_


save_spectrometer_3
   _Saveframe_category   NMR_spectrometer

   _Manufacturer         Bruker
   _Model                Avance
   _Field_strength       800
   _Details              .

save_


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

save_2D_1H-15N_HSQC_1
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '2D 1H-15N HSQC'
   _Sample_label        $sample_1

save_


save_2D_1H-13C_HSQC_2
   _Saveframe_category   NMR_applied_experiment

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

save_


save_3D_HNCO_3
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D HNCO'
   _Sample_label        $sample_1

save_


save_3D_HNCA_4
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D HNCA'
   _Sample_label        $sample_1

save_


save_3D_HNCACB_5
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D HNCACB'
   _Sample_label        $sample_1

save_


save_3D_CBCA(CO)NH_6
   _Saveframe_category   NMR_applied_experiment

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

save_


save_3D_HN(CO)CA_7
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D HN(CO)CA'
   _Sample_label        $sample_1

save_


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

save_sample_conditions_1
   _Saveframe_category   sample_conditions

   _Details              .

   loop_
      _Variable_type
      _Variable_value
      _Variable_value_error
      _Variable_value_units

      'ionic strength'   0.1 . M
       pH                6.8 . pH
       pressure          1   . atm
       temperature     298.2 . 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

       acetate                 C 13 'methyl carbon' ppm  54   internal direct . . . 1
       water                   H  1  protons        ppm   4.7 internal direct . . . 1
      '[15N] ammonium sulfate' N 15  nitrogen       ppm 118   internal direct . . . 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_1
   _Saveframe_category               assigned_chemical_shifts

   _Details                          .

   loop_
      _Software_label

      $XEASY

   stop_

   loop_
      _Experiment_label

      '2D 1H-15N HSQC'
      '2D 1H-13C HSQC'
      '3D HNCO'
      '3D HNCA'
      '3D HNCACB'
      '3D CBCA(CO)NH'
      '3D HN(CO)CA'

   stop_

   loop_
      _Sample_label

      $sample_1

   stop_

   _Sample_conditions_label         $sample_conditions_1
   _Chem_shift_reference_set_label  $chemical_shift_reference_1
   _Mol_system_component_name       'Holo F2 TnC'
   _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   1   1 MET C   C 176.038 0.000 .
        2   1   1 MET CA  C  55.735 0.000 .
        3   1   1 MET CB  C  38.174 0.000 .
        4   2   2 VAL H   H   8.244 0.000 .
        5   2   2 VAL HA  H   4.12  0.000 .
        6   2   2 VAL C   C 175.334 0.000 .
        7   2   2 VAL CA  C  62.145 0.000 .
        8   2   2 VAL CB  C  33.02  0.000 .
        9   2   2 VAL N   N 122.234 0.000 .
       10   3   3 ALA H   H   8.576 0.000 .
       11   3   3 ALA HA  H   4.308 0.000 .
       12   3   3 ALA C   C 177.915 0.000 .
       13   3   3 ALA CA  C  52.553 0.000 .
       14   3   3 ALA CB  C  19.658 0.000 .
       15   3   3 ALA N   N 128.321 0.000 .
       16   4   4 MET H   H   8.369 0.000 .
       17   4   4 MET HA  H   4.12  0.000 .
       18   4   4 MET C   C 176.608 0.000 .
       19   4   4 MET CA  C  57.052 0.000 .
       20   4   4 MET CB  C  32.574 0.000 .
       21   4   4 MET N   N 118.812 0.000 .
       22   5   5 ASP H   H   8.082 0.000 .
       23   5   5 ASP HA  H   4.511 0.000 .
       24   5   5 ASP C   C 176.138 0.000 .
       25   5   5 ASP CA  C  55.158 0.000 .
       26   5   5 ASP CB  C  40.719 0.000 .
       27   5   5 ASP N   N 117.281 0.000 .
       28   6   6 ASP H   H   7.942 0.000 .
       29   6   6 ASP HA  H   4.62  0.000 .
       30   6   6 ASP C   C 176.138 0.000 .
       31   6   6 ASP CA  C  54.844 0.000 .
       32   6   6 ASP CB  C  41.546 0.000 .
       33   6   6 ASP N   N 118.313 0.000 .
       34   7   7 LEU H   H   7.59  0.000 .
       35   7   7 LEU HA  H   4.448 0.000 .
       36   7   7 LEU C   C 176.351 0.000 .
       37   7   7 LEU CA  C  54.208 0.000 .
       38   7   7 LEU CB  C  43.2   0.000 .
       39   7   7 LEU N   N 120.411 0.000 .
       40   8   8 ASP H   H   8.663 0.000 .
       41   8   8 ASP HA  H   4.699 0.000 .
       42   8   8 ASP C   C 177.032 0.000 .
       43   8   8 ASP CA  C  53.19  0.000 .
       44   8   8 ASP CB  C  42.182 0.000 .
       45   8   8 ASP N   N 121.064 0.000 .
       46   9   9 LYS H   H   8.568 0.000 .
       47   9   9 LYS HA  H   4.026 0.000 .
       48   9   9 LYS C   C 179.155 0.000 .
       49   9   9 LYS CA  C  59.716 0.000 .
       50   9   9 LYS CB  C  32.129 0.000 .
       51   9   9 LYS N   N 119.362 0.000 .
       52  10  10 ASP H   H   8.509 0.000 .
       53  10  10 ASP HA  H   4.558 0.000 .
       54  10  10 ASP C   C 179.077 0.000 .
       55  10  10 ASP CA  C  57.198 0.000 .
       56  10  10 ASP CB  C  40.146 0.000 .
       57  10  10 ASP N   N 121.099 0.000 .
       58  11  11 GLN H   H   8.32  0.000 .
       59  11  11 GLN HA  H   4.135 0.000 .
       60  11  11 GLN C   C 178.63  0.000 .
       61  11  11 GLN CA  C  58.98  0.000 .
       62  11  11 GLN CB  C  29.52  0.000 .
       63  11  11 GLN N   N 122.44  0.000 .
       64  12  12 ILE H   H   8.238 0.001 .
       65  12  12 ILE HA  H   3.713 0.000 .
       66  12  12 ILE C   C 177.502 0.000 .
       67  12  12 ILE CA  C  64.833 0.000 .
       68  12  12 ILE CB  C  37.219 0.000 .
       69  12  12 ILE N   N 119.035 0.000 .
       70  13  13 ALA H   H   7.877 0.000 .
       71  13  13 ALA HA  H   4.198 0.000 .
       72  13  13 ALA C   C 180.652 0.000 .
       73  13  13 ALA CA  C  55.416 0.000 .
       74  13  13 ALA CB  C  18.195 0.000 .
       75  13  13 ALA N   N 121.285 0.006 .
       76  14  14 LEU H   H   7.752 0.000 .
       77  14  14 LEU HA  H   4.151 0.000 .
       78  14  14 LEU C   C 179.49  0.000 .
       79  14  14 LEU CA  C  58.534 0.000 .
       80  14  14 LEU CB  C  41.991 0.000 .
       81  14  14 LEU N   N 120.325 0.000 .
       82  15  15 LEU H   H   8.27  0.000 .
       83  15  15 LEU HA  H   4.292 0.000 .
       84  15  15 LEU C   C 179.144 0.000 .
       85  15  15 LEU CA  C  58.152 0.000 .
       86  15  15 LEU CB  C  41.546 0.000 .
       87  15  15 LEU N   N 119.723 0.000 .
       88  16  16 LYS H   H   9.075 0.000 .
       89  16  16 LYS HA  H   3.995 0.000 .
       90  16  16 LYS C   C 178.172 0.000 .
       91  16  16 LYS CA  C  60.061 0.000 .
       92  16  16 LYS CB  C  32.32  0.000 .
       93  16  16 LYS N   N 121.322 0.000 .
       94  17  17 ARG H   H   7.975 0.002 .
       95  17  17 ARG HA  H   4.151 0.000 .
       96  17  17 ARG C   C 179.624 0.000 .
       97  17  17 ARG CA  C  59.425 0.000 .
       98  17  17 ARG CB  C  30.411 0.000 .
       99  17  17 ARG N   N 118.468 0.000 .
      100  18  18 ALA H   H   8.222 0.000 .
      101  18  18 ALA HA  H   4.23  0.000 .
      102  18  18 ALA C   C 178.116 0.000 .
      103  18  18 ALA CA  C  55.226 0.000 .
      104  18  18 ALA CB  C  18.386 0.000 .
      105  18  18 ALA N   N 121.924 0.000 .
      106  19  19 PHE H   H   8.837 0.000 .
      107  19  19 PHE HA  H   3.604 0.000 .
      108  19  19 PHE HZ  H   7.125 0.000 .
      109  19  19 PHE C   C 177.356 0.000 .
      110  19  19 PHE CA  C  62.161 0.000 .
      111  19  19 PHE CB  C  40.146 0.000 .
      112  19  19 PHE N   N 117.505 0.000 .
      113  20  20 GLU H   H   8.786 0.000 .
      114  20  20 GLU HA  H   3.885 0.000 .
      115  20  20 GLU C   C 179.334 0.000 .
      116  20  20 GLU CA  C  59.361 0.000 .
      117  20  20 GLU CB  C  29.393 0.000 .
      118  20  20 GLU N   N 116.783 0.000 .
      119  21  21 ALA H   H   7.784 0.000 .
      120  21  21 ALA HA  H   3.995 0.000 .
      121  21  21 ALA C   C 178.831 0.000 .
      122  21  21 ALA CA  C  54.78  0.000 .
      123  21  21 ALA CB  C  17.877 0.000 .
      124  21  21 ALA N   N 121.271 0.000 .
      125  22  22 PHE H   H   7.344 0.000 .
      126  22  22 PHE HA  H   4.354 0.000 .
      127  22  22 PHE C   C 176.731 0.000 .
      128  22  22 PHE CA  C  59.616 0.000 .
      129  22  22 PHE CB  C  40.528 0.000 .
      130  22  22 PHE N   N 114.326 0.000 .
      131  23  23 ALA H   H   8.628 0.000 .
      132  23  23 ALA HA  H   3.713 0.000 .
      133  23  23 ALA C   C 179.055 0.000 .
      134  23  23 ALA CA  C  54.208 0.000 .
      135  23  23 ALA CB  C  18.704 0.000 .
      136  23  23 ALA N   N 123.317 0.000 .
      137  24  24 GLN H   H   7.963 0.000 .
      138  24  24 GLN HA  H   3.744 0.000 .
      139  24  24 GLN C   C 176.585 0.000 .
      140  24  24 GLN CA  C  57.325 0.000 .
      141  24  24 GLN CB  C  26.53  0.000 .
      142  24  24 GLN N   N 113.302 0.000 .
      143  25  25 GLU H   H   9.068 0.000 .
      144  25  25 GLU HA  H   4.182 0.000 .
      145  25  25 GLU C   C 175.513 0.000 .
      146  25  25 GLU CA  C  57.58  0.000 .
      147  25  25 GLU CB  C  28.248 0.000 .
      148  25  25 GLU N   N 119.758 0.000 .
      149  26  26 LYS H   H   7.899 0.000 .
      150  26  26 LYS HA  H   4.354 0.000 .
      151  26  26 LYS C   C 175.758 0.000 .
      152  26  26 LYS CA  C  55.735 0.000 .
      153  26  26 LYS CB  C  33.338 0.000 .
      154  26  26 LYS N   N 119.551 0.000 .
      155  27  27 SER H   H   8.293 0.000 .
      156  27  27 SER HA  H   4.605 0.000 .
      157  27  27 SER C   C 172.887 0.000 .
      158  27  27 SER CA  C  58.343 0.000 .
      159  27  27 SER CB  C  63.879 0.000 .
      160  27  27 SER N   N 110.856 0.000 .
      161  28  28 TYR H   H   6.835 0.000 .
      162  28  28 TYR HA  H   5.566 0.000 .
      163  28  28 TYR C   C 172.753 0.000 .
      164  28  28 TYR CA  C  55.388 0.000 .
      165  28  28 TYR CB  C  41.164 0.000 .
      166  28  28 TYR N   N 115.313 0.000 .
      167  29  29 ILE H   H   8.312 0.000 .
      168  29  29 ILE HA  H   4.495 0.000 .
      169  29  29 ILE CA  C  58.789 0.000 .
      170  29  29 ILE CB  C  41.419 0.000 .
      171  29  29 ILE N   N 111.832 0.000 .
      172  30  30 GLU H   H   8.361 0.000 .
      173  30  30 GLU HA  H   4.616 0.000 .
      174  30  30 GLU C   C 178.161 0.000 .
      175  30  30 GLU CA  C  56.116 0.000 .
      176  30  30 GLU CB  C  30.92  0.000 .
      177  30  30 GLU N   N 124.039 0.000 .
      178  31  31 ALA H   H   9.01  0.000 .
      179  31  31 ALA HA  H   3.859 0.000 .
      180  31  31 ALA C   C 179.222 0.000 .
      181  31  31 ALA CA  C  55.989 0.000 .
      182  31  31 ALA CB  C  18.322 0.000 .
      183  31  31 ALA N   N 124.847 0.000 .
      184  32  32 ASN H   H   8.565 0.001 .
      185  32  32 ASN HA  H   4.464 0.000 .
      186  32  32 ASN C   C 176.954 0.000 .
      187  32  32 ASN CA  C  55.162 0.000 .
      188  32  32 ASN CB  C  37.219 0.000 .
      189  32  32 ASN N   N 112.375 0.000 .
      190  33  33 MET H   H   7.739 0.000 .
      191  33  33 MET HA  H   4.386 0.000 .
      192  33  33 MET C   C 177.144 0.000 .
      193  33  33 MET CA  C  55.989 0.000 .
      194  33  33 MET CB  C  32.32  0.000 .
      195  33  33 MET N   N 118.657 0.000 .
      196  34  34 VAL H   H   7.532 0.000 .
      197  34  34 VAL HA  H   3.291 0.000 .
      198  34  34 VAL C   C 177.289 0.000 .
      199  34  34 VAL CA  C  67.251 0.000 .
      200  34  34 VAL CB  C  31.238 0.000 .
      201  34  34 VAL N   N 119.139 0.000 .
      202  35  35 GLY H   H   8.72  0.000 .
      203  35  35 GLY HA2 H   3.979 0.000 .
      204  35  35 GLY HA3 H   3.541 0.000 .
      205  35  35 GLY C   C 176.295 0.000 .
      206  35  35 GLY CA  C  47.845 0.000 .
      207  35  35 GLY N   N 106.851 0.000 .
      208  36  36 THR H   H   7.668 0.000 .
      209  36  36 THR HA  H   4.104 0.000 .
      210  36  36 THR C   C 176.116 0.000 .
      211  36  36 THR CA  C  66.551 0.000 .
      212  36  36 THR CB  C  68.587 0.000 .
      213  36  36 THR N   N 119.654 0.000 .
      214  37  37 ILE H   H   7.739 0.000 .
      215  37  37 ILE HA  H   3.432 0.000 .
      216  37  37 ILE C   C 177.691 0.000 .
      217  37  37 ILE CA  C  65.915 0.000 .
      218  37  37 ILE CB  C  37.919 0.000 .
      219  37  37 ILE N   N 122.302 0.000 .
      220  38  38 LEU H   H   8.33  0.000 .
      221  38  38 LEU HA  H   3.917 0.000 .
      222  38  38 LEU C   C 179.289 0.000 .
      223  38  38 LEU CA  C  58.598 0.000 .
      224  38  38 LEU CB  C  40.019 0.000 .
      225  38  38 LEU N   N 117.969 0.000 .
      226  39  39 GLN H   H   8.074 0.000 .
      227  39  39 GLN HA  H   3.938 0.000 .
      228  39  39 GLN C   C 180.686 0.000 .
      229  39  39 GLN CA  C  59.761 0.000 .
      230  39  39 GLN CB  C  28.184 0.000 .
      231  39  39 GLN N   N 119.225 0.000 .
      232  40  40 MET H   H   8.162 0.000 .
      233  40  40 MET HA  H   4.151 0.000 .
      234  40  40 MET C   C 177.524 0.000 .
      235  40  40 MET CA  C  59.107 0.000 .
      236  40  40 MET CB  C  32.384 0.000 .
      237  40  40 MET N   N 122.182 0.000 .
      238  41  41 LEU H   H   7.679 0.000 .
      239  41  41 LEU HA  H   4.401 0.000 .
      240  41  41 LEU C   C 176.407 0.000 .
      241  41  41 LEU CA  C  54.907 0.000 .
      242  41  41 LEU CB  C  42.246 0.000 .
      243  41  41 LEU N   N 117.178 0.000 .
      244  42  42 GLY H   H   7.787 0.000 .
      245  42  42 GLY HA2 H   4.089 0.000 .
      246  42  42 GLY HA3 H   3.682 0.000 .
      247  42  42 GLY C   C 173.982 0.000 .
      248  42  42 GLY CA  C  45.427 0.000 .
      249  42  42 GLY N   N 106.427 0.000 .
      250  43  43 HIS H   H   8.328 0.000 .
      251  43  43 HIS HA  H   4.683 0.000 .
      252  43  43 HIS C   C 172.529 0.000 .
      253  43  43 HIS CA  C  54.653 0.000 .
      254  43  43 HIS CB  C  30.856 0.000 .
      255  43  43 HIS N   N 120.342 0.000 .
      256  44  44 GLU H   H   8.471 0.000 .
      257  44  44 GLU HA  H   4.225 0.000 .
      258  44  44 GLU C   C 175.457 0.000 .
      259  44  44 GLU CA  C  56.18  0.000 .
      260  44  44 GLU CB  C  29.966 0.000 .
      261  44  44 GLU N   N 123.523 0.000 .
      262  45  45 VAL H   H   8.272 0.000 .
      263  45  45 VAL HA  H   4.417 0.000 .
      264  45  45 VAL C   C 174.932 0.000 .
      265  45  45 VAL CA  C  60.316 0.000 .
      266  45  45 VAL CB  C  34.61  0.000 .
      267  45  45 VAL N   N 123.764 0.000 .
      268  46  46 SER H   H   8.665 0.000 .
      269  46  46 SER HA  H   4.495 0.000 .
      270  46  46 SER C   C 174.641 0.000 .
      271  46  46 SER CA  C  57.707 0.000 .
      272  46  46 SER CB  C  64.642 0.000 .
      273  46  46 SER N   N 121.34  0.000 .
      274  47  47 ASP H   H   8.824 0.000 .
      275  47  47 ASP HA  H   4.33  0.000 .
      276  47  47 ASP C   C 178.652 0.000 .
      277  47  47 ASP CA  C  57.771 0.000 .
      278  47  47 ASP CB  C  40.337 0.000 .
      279  47  47 ASP N   N 122.698 0.000 .
      280  48  48 LYS H   H   8.33  0.000 .
      281  48  48 LYS HA  H   4.089 0.000 .
      282  48  48 LYS C   C 178.708 0.000 .
      283  48  48 LYS CA  C  59.234 0.000 .
      284  48  48 LYS CB  C  32.638 0.000 .
      285  48  48 LYS N   N 119.826 0.000 .
      286  49  49 GLN H   H   7.636 0.000 .
      287  49  49 GLN HA  H   4.167 0.000 .
      288  49  49 GLN C   C 178.519 0.000 .
      289  49  49 GLN CA  C  58.343 0.000 .
      290  49  49 GLN CB  C  29.011 0.000 .
      291  49  49 GLN N   N 118.623 0.000 .
      292  50  50 LEU H   H   8.427 0.000 .
      293  50  50 LEU HA  H   4.026 0.000 .
      294  50  50 LEU C   C 178.15  0.000 .
      295  50  50 LEU CA  C  57.962 0.000 .
      296  50  50 LEU CB  C  41.737 0.000 .
      297  50  50 LEU N   N 119.672 0.000 .
      298  51  51 THR H   H   8.077 0.000 .
      299  51  51 THR HA  H   4.245 0.000 .
      300  51  51 THR C   C 176.116 0.000 .
      301  51  51 THR CA  C  66.869 0.000 .
      302  51  51 THR CB  C  68.905 0.000 .
      303  51  51 THR N   N 113.262 0.000 .
      304  52  52 GLU H   H   7.422 0.000 .
      305  52  52 GLU HA  H   4.073 0.000 .
      306  52  52 GLU C   C 179.024 0.000 .
      307  52  52 GLU CA  C  59.298 0.000 .
      308  52  52 GLU CB  C  29.584 0.000 .
      309  52  52 GLU N   N 118.691 0.000 .
      310  53  53 ILE H   H   8.015 0.000 .
      311  53  53 ILE HA  H   3.948 0.000 .
      312  53  53 ILE C   C 177.669 0.000 .
      313  53  53 ILE CA  C  64.453 0.000 .
      314  53  53 ILE CB  C  38.174 0.000 .
      315  53  53 ILE N   N 119.345 0.000 .
      316  54  54 ILE H   H   8.364 0.001 .
      317  54  54 ILE HA  H   3.572 0.000 .
      318  54  54 ILE C   C 177.055 0.000 .
      319  54  54 ILE CA  C  66.169 0.000 .
      320  54  54 ILE CB  C  37.601 0.000 .
      321  54  54 ILE N   N 120.892 0.000 .
      322  55  55 VAL H   H   7.321 0.000 .
      323  55  55 VAL HA  H   3.791 0.000 .
      324  55  55 VAL C   C 178.608 0.000 .
      325  55  55 VAL CA  C  65.699 0.000 .
      326  55  55 VAL CB  C  31.747 0.000 .
      327  55  55 VAL N   N 116.129 0.000 .
      328  56  56 GLU H   H   7.469 0.001 .
      329  56  56 GLU HA  H   4.01  0.000 .
      330  56  56 GLU C   C 178.731 0.000 .
      331  56  56 GLU CA  C  59.079 0.000 .
      332  56  56 GLU CB  C  30.093 0.000 .
      333  56  56 GLU N   N 118.502 0.000 .
      334  57  57 VAL H   H   7.853 0.000 .
      335  57  57 VAL HA  H   4.354 0.000 .
      336  57  57 VAL C   C 176.798 0.000 .
      337  57  57 VAL CA  C  62.288 0.000 .
      338  57  57 VAL CB  C  31.811 0.000 .
      339  57  57 VAL N   N 109.781 0.000 .
      340  58  58 ASP H   H   7.791 0.000 .
      341  58  58 ASP HA  H   4.996 0.000 .
      342  58  58 ASP C   C 177.669 0.000 .
      343  58  58 ASP CA  C  52.935 0.000 .
      344  58  58 ASP CB  C  38.873 0.000 .
      345  58  58 ASP N   N 122.062 0.000 .
      346  59  59 ALA H   H   8.279 0.000 .
      347  59  59 ALA HA  H   4.12  0.000 .
      348  59  59 ALA C   C 178.585 0.000 .
      349  59  59 ALA CA  C  54.907 0.000 .
      350  59  59 ALA CB  C  19.086 0.000 .
      351  59  59 ALA N   N 129.869 0.000 .
      352  60  60 ASP H   H   8.181 0.000 .
      353  60  60 ASP HA  H   4.652 0.000 .
      354  60  60 ASP C   C 177.781 0.000 .
      355  60  60 ASP CA  C  52.68  0.000 .
      356  60  60 ASP CB  C  40.146 0.000 .
      357  60  60 ASP N   N 113.45  0.000 .
      358  61  61 GLY H   H   7.951 0.000 .
      359  61  61 GLY HA2 H   3.854 0.000 .
      360  61  61 GLY HA3 H   3.854 0.000 .
      361  61  61 GLY C   C 175.177 0.000 .
      362  61  61 GLY CA  C  46.89  0.000 .
      363  61  61 GLY N   N 109.228 0.000 .
      364  62  62 SER H   H   8.384 0.000 .
      365  62  62 SER HA  H   4.198 0.000 .
      366  62  62 SER C   C 175.881 0.000 .
      367  62  62 SER CA  C  59.361 0.000 .
      368  62  62 SER CB  C  64.579 0.000 .
      369  62  62 SER N   N 116.404 0.000 .
      370  63  63 GLY H   H  10.497 0.000 .
      371  63  63 GLY HA2 H   4.135 0.000 .
      372  63  63 GLY HA3 H   3.469 0.000 .
      373  63  63 GLY C   C 172.775 0.000 .
      374  63  63 GLY CA  C  45.363 0.000 .
      375  63  63 GLY N   N 115.649 0.000 .
      376  64  64 GLN H   H   7.886 0.000 .
      377  64  64 GLN HA  H   4.605 0.000 .
      378  64  64 GLN C   C 174.027 0.000 .
      379  64  64 GLN CA  C  53.253 0.000 .
      380  64  64 GLN CB  C  30.475 0.000 .
      381  64  64 GLN N   N 116.783 0.000 .
      382  65  65 LEU H   H   9.116 0.000 .
      383  65  65 LEU HA  H   5.444 0.000 .
      384  65  65 LEU C   C 176.105 0.000 .
      385  65  65 LEU CA  C  53.891 0.000 .
      386  65  65 LEU CB  C  42.118 0.000 .
      387  65  65 LEU N   N 125.518 0.000 .
      388  66  66 GLU H   H   7.912 0.000 .
      389  66  66 GLU HA  H   5.152 0.000 .
      390  66  66 GLU C   C 177.502 0.000 .
      391  66  66 GLU CA  C  57.389 0.000 .
      392  66  66 GLU CB  C  29.838 0.000 .
      393  66  66 GLU N   N 124.59  0.000 .
      394  67  67 PHE H   H   9.262 0.000 .
      395  67  67 PHE HA  H   3.354 0.000 .
      396  67  67 PHE HE1 H   7.2   0.000 .
      397  67  67 PHE HE2 H   7.2   0.000 .
      398  67  67 PHE HZ  H   7.373 0.000 .
      399  67  67 PHE C   C 176.563 0.000 .
      400  67  67 PHE CA  C  62.844 0.000 .
      401  67  67 PHE CB  C  38.428 0.000 .
      402  67  67 PHE N   N 122.612 0.000 .
      403  68  68 GLU H   H   9.376 0.000 .
      404  68  68 GLU HA  H   3.525 0.000 .
      405  68  68 GLU C   C 179.177 0.000 .
      406  68  68 GLU CA  C  60.57  0.000 .
      407  68  68 GLU CB  C  28.439 0.000 .
      408  68  68 GLU N   N 115.582 0.000 .
      409  69  69 GLU H   H   6.945 0.000 .
      410  69  69 GLU HA  H   4.182 0.000 .
      411  69  69 GLU C   C 178.24  0.000 .
      412  69  69 GLU CA  C  58.314 0.000 .
      413  69  69 GLU CB  C  30.093 0.000 .
      414  69  69 GLU N   N 118.158 0.000 .
      415  70  70 PHE H   H   8.372 0.003 .
      416  70  70 PHE HA  H   4.208 0.000 .
      417  70  70 PHE C   C 176.753 0.000 .
      418  70  70 PHE CA  C  60.952 0.000 .
      419  70  70 PHE CB  C  38.873 0.000 .
      420  70  70 PHE N   N 119.518 0.003 .
      421  71  71 VAL H   H   8.373 0.000 .
      422  71  71 VAL HA  H   2.915 0.000 .
      423  71  71 VAL C   C 176.138 0.000 .
      424  71  71 VAL CA  C  67.251 0.000 .
      425  71  71 VAL CB  C  30.92  0.000 .
      426  71  71 VAL N   N 119.517 0.000 .
      427  72  72 THR H   H   7.321 0.000 .
      428  72  72 THR HA  H   4.354 0.000 .
      429  72  72 THR C   C 176.138 0.000 .
      430  72  72 THR CA  C  66.869 0.000 .
      431  72  72 THR CB  C  68.396 0.000 .
      432  72  72 THR N   N 115.335 0.000 .
      433  73  73 LEU H   H   7.8   0.000 .
      434  73  73 LEU HA  H   3.807 0.000 .
      435  73  73 LEU C   C 177.557 0.000 .
      436  73  73 LEU CA  C  59.043 0.000 .
      437  73  73 LEU CB  C  42.118 0.000 .
      438  73  73 LEU N   N 122.457 0.000 .
      439  74  74 ALA H   H   8.628 0.000 .
      440  74  74 ALA HA  H   3.713 0.000 .
      441  74  74 ALA C   C 179.557 0.000 .
      442  74  74 ALA CA  C  54.971 0.000 .
      443  74  74 ALA CB  C  18.386 0.000 .
      444  74  74 ALA N   N 119.844 0.000 .
      445  75  75 ALA H   H   8.542 0.000 .
      446  75  75 ALA HA  H   3.807 0.000 .
      447  75  75 ALA C   C 179.032 0.000 .
      448  75  75 ALA CA  C  55.289 0.000 .
      449  75  75 ALA CB  C  18.195 0.000 .
      450  75  75 ALA N   N 118.829 0.000 .
      451  76  76 ARG H   H   7.269 0.000 .
      452  76  76 ARG HA  H   3.917 0.000 .
      453  76  76 ARG C   C 176.887 0.000 .
      454  76  76 ARG CA  C  57.771 0.000 .
      455  76  76 ARG CB  C  29.075 0.000 .
      456  76  76 ARG N   N 114.862 0.000 .
      457  77  77 PHE H   H   7.398 0.000 .
      458  77  77 PHE HA  H   4.339 0.000 .
      459  77  77 PHE C   C 176.049 0.000 .
      460  77  77 PHE CA  C  58.916 0.000 .
      461  77  77 PHE CB  C  39.51  0.000 .
      462  77  77 PHE N   N 115.571 0.000 .
      463  78  78 LEU H   H   7.655 0.000 .
      464  78  78 LEU HA  H   4.245 0.000 .
      465  78  78 LEU C   C 177.446 0.000 .
      466  78  78 LEU CA  C  55.862 0.000 .
      467  78  78 LEU CB  C  42.118 0.000 .
      468  78  78 LEU N   N 118.176 0.000 .
      469  79  79 THR H   H   7.585 0.000 .
      470  79  79 THR HA  H   4.401 0.000 .
      471  79  79 THR C   C 174.429 0.000 .
      472  79  79 THR CA  C  61.779 0.000 .
      473  79  79 THR CB  C  69.86  0.000 .
      474  79  79 THR N   N 110.987 0.000 .
      475  80  80 GLU H   H   8.123 0.000 .
      476  80  80 GLU HA  H   4.339 0.000 .
      477  80  80 GLU C   C 176.094 0.000 .
      478  80  80 GLU CA  C  56.562 0.000 .
      479  80  80 GLU CB  C  30.284 0.000 .
      480  80  80 GLU N   N 122.836 0.000 .
      481  81  81 ASP H   H   8.408 0.001 .
      482  81  81 ASP HA  H   4.66  0.000 .
      483  81  81 ASP C   C 175.926 0.000 .
      484  81  81 ASP CA  C  54.335 0.000 .
      485  81  81 ASP CB  C  41.125 0.000 .
      486  81  81 ASP N   N 121.984 0.096 .
      487  82  82 ASN H   H   8.455 0.000 .
      488  82  82 ASN HA  H   4.777 0.000 .
      489  82  82 ASN C   C 175.367 0.000 .
      490  82  82 ASN CA  C  53.253 0.000 .
      491  82  82 ASN CB  C  39.064 0.000 .
      492  82  82 ASN N   N 119.93  0.000 .
      493  83  83 GLU H   H   8.479 0.000 .
      494  83  83 GLU HA  H   4.294 0.000 .
      495  83  83 GLU C   C 176.664 0.000 .
      496  83  83 GLU CA  C  56.816 0.000 .
      497  83  83 GLU CB  C  30.093 0.000 .
      498  83  83 GLU N   N 121.769 0.000 .
      499  84  84 GLU H   H   8.488 0.000 .
      500  84  84 GLU HA  H   4.276 0.000 .
      501  84  84 GLU C   C 176.429 0.000 .
      502  84  84 GLU CA  C  56.78  0.000 .
      503  84  84 GLU CB  C  30.208 0.000 .
      504  84  84 GLU N   N 122.062 0.000 .
      505  85  85 ASP H   H   8.405 0.001 .
      506  85  85 ASP HA  H   4.652 0.000 .
      507  85  85 ASP C   C 176.429 0.000 .
      508  85  85 ASP CA  C  54.481 0.000 .
      509  85  85 ASP CB  C  41.137 0.000 .
      510  85  85 ASP N   N 121.787 0.000 .
      511  86  86 SER H   H   8.257 0.000 .
      512  86  86 SER HA  H   4.417 0.000 .
      513  86  86 SER C   C 174.217 0.000 .
      514  86  86 SER CA  C  58.519 0.000 .
      515  86  86 SER CB  C  63.906 0.000 .
      516  86  86 SER N   N 116.576 0.000 .
      517  87  87 ALA H   H   8.3   0.000 .
      518  87  87 ALA HA  H   4.37  0.000 .
      519  87  87 ALA C   C 176.485 0.000 .
      520  87  87 ALA CA  C  52.553 0.000 .
      521  87  87 ALA CB  C  19.404 0.000 .
      522  87  87 ALA N   N 126.619 0.000 .
      523  88  88 ALA H   H   7.869 0.000 .
      524  88  88 ALA HA  H   4.104 0.000 .
      525  88  88 ALA C   C 172.697 0.000 .
      526  88  88 ALA CA  C  53.889 0.000 .
      527  88  88 ALA CB  C  20.167 0.000 .
      528  88  88 ALA N   N 129.112 0.000 .
      529  89  89 MET H   H   9.003 0.000 .
      530  89  89 MET C   C 177.833 0.000 .
      531  89  89 MET CA  C  58.679 0.000 .
      532  89  89 MET CB  C  32.637 0.000 .
      533  89  89 MET N   N 122.000 0.000 .
      534  90  90 MET H   H   8.909 0.000 .
      535  90  90 MET HA  H   4.204 0.000 .
      536  90  90 MET C   C 178.119 0.000 .
      537  90  90 MET CA  C  58.910 0.000 .
      538  90  90 MET CB  C  31.357 0.000 .
      539  90  90 MET N   N 117.929 0.000 .
      540  91  91 GLU H   H   8.272 0.000 .
      541  91  91 GLU HA  H   3.959 0.000 .
      542  91  91 GLU C   C 179.620 0.000 .
      543  91  91 GLU CA  C  61.031 0.000 .
      544  91  91 GLU CB  C  28.400 0.000 .
      545  91  91 GLU N   N 118.595 0.000 .
      546  92  92 GLU H   H   8.097 0.000 .
      547  92  92 GLU HA  H   4.126 0.000 .
      548  92  92 GLU C   C 180.246 0.000 .
      549  92  92 GLU CA  C  59.408 0.000 .
      550  92  92 GLU CB  C  29.199 0.000 .
      551  92  92 GLU N   N 119.892 0.000 .
      552  93  93 LEU H   H   8.585 0.000 .
      553  93  93 LEU HA  H   4.333 0.000 .
      554  93  93 LEU C   C 178.941 0.000 .
      555  93  93 LEU CA  C  58.209 0.000 .
      556  93  93 LEU CB  C  41.826 0.000 .
      557  93  93 LEU N   N 121.578 0.000 .
      558  94  94 ARG H   H   8.428 0.000 .
      559  94  94 ARG HA  H   3.934 0.000 .
      560  94  94 ARG C   C 178.941 0.000 .
      561  94  94 ARG CA  C  60.127 0.000 .
      562  94  94 ARG CB  C  29.918 0.000 .
      563  94  94 ARG N   N 120.199 0.000 .
      564  95  95 GLU H   H   7.912 0.000 .
      565  95  95 GLU HA  H   4.125 0.000 .
      566  95  95 GLU C   C 178.476 0.000 .
      567  95  95 GLU CA  C  58.849 0.000 .
      568  95  95 GLU CB  C  29.199 0.000 .
      569  95  95 GLU N   N 118.688 0.000 .
      570  96  96 ALA H   H   7.977 0.000 .
      571  96  96 ALA HA  H   4.125 0.000 .
      572  96  96 ALA C   C 179.030 0.000 .
      573  96  96 ALA CA  C  55.252 0.000 .
      574  96  96 ALA CB  C  18.010 0.000 .
      575  96  96 ALA N   N 122.021 0.000 .
      576  97  97 PHE H   H   8.432 0.000 .
      577  97  97 PHE HA  H   3.619 0.000 .
      578  97  97 PHE C   C 177.082 0.000 .
      579  97  97 PHE CA  C  62.365 0.000 .
      580  97  97 PHE CB  C  39.828 0.000 .
      581  97  97 PHE N   N 117.427 0.000 .
      582  98  98 ARG H   H   7.973 0.000 .
      583  98  98 ARG HA  H   3.946 0.000 .
      584  98  98 ARG C   C 178.565 0.000 .
      585  98  98 ARG CA  C  59.089 0.000 .
      586  98  98 ARG CB  C  30.238 0.000 .
      587  98  98 ARG N   N 116.107 0.000 .
      588  99  99 LEU H   H   7.679 0.000 .
      589  99  99 LEU HA  H   3.916 0.000 .
      590  99  99 LEU C   C 178.816 0.000 .
      591  99  99 LEU CA  C  57.170 0.000 .
      592  99  99 LEU CB  C  41.746 0.000 .
      593  99  99 LEU N   N 118.560 0.000 .
      594 100 100 TYR H   H   7.486 0.000 .
      595 100 100 TYR HA  H   4.303 0.000 .
      596 100 100 TYR C   C 176.635 0.000 .
      597 100 100 TYR CA  C  59.808 0.000 .
      598 100 100 TYR CB  C  38.789 0.000 .
      599 100 100 TYR N   N 115.581 0.000 .
      600 101 101 ASP H   H   7.912 0.000 .
      601 101 101 ASP HA  H   4.809 0.000 .
      602 101 101 ASP C   C 177.368 0.000 .
      603 101 101 ASP CA  C  52.535 0.000 .
      604 101 101 ASP CB  C  39.029 0.000 .
      605 101 101 ASP N   N 121.998 0.000 .
      606 102 102 LYS H   H   7.715 0.000 .
      607 102 102 LYS HA  H   3.961 0.000 .
      608 102 102 LYS C   C 177.904 0.000 .
      609 102 102 LYS CA  C  59.168 0.000 .
      610 102 102 LYS CB  C  32.316 0.000 .
      611 102 102 LYS N   N 122.325 0.000 .
      612 103 103 ASP H   H   8.296 0.000 .
      613 103 103 ASP C   C 176.921 0.000 .
      614 103 103 ASP CA  C  53.654 0.000 .
      615 103 103 ASP CB  C  40.176 0.000 .
      616 103 103 ASP N   N 114.280 0.000 .
      617 104 104 GLY H   H   7.685 0.000 .
      618 104 104 GLY HA2 H   3.876 0.000 .
      619 104 104 GLY HA3 H   3.787 0.000 .
      620 104 104 GLY C   C 175.283 0.000 .
      621 104 104 GLY CA  C  47.022 0.000 .
      622 104 104 GLY N   N 108.737 0.000 .
      623 105 105 ASN C   C 176.313 0.000 .
      624 105 105 ASN CA  C  53.254 0.000 .
      625 105 105 ASN CB  C  38.469 0.000 .
      626 106 106 GLY H   H  10.518 0.000 .
      627 106 106 GLY HA2 H   4.259 0.000 .
      628 106 106 GLY HA3 H   3.604 0.000 .
      629 106 106 GLY C   C 173.327 0.000 .
      630 106 106 GLY CA  C  45.342 0.000 .
      631 106 106 GLY N   N 112.018 0.000 .
      632 107 107 TYR H   H   7.393 0.000 .
      633 107 107 TYR HA  H   5.566 0.000 .
      634 107 107 TYR CA  C  56.531 0.000 .
      635 107 107 TYR CB  C  41.586 0.000 .
      636 107 107 TYR N   N 114.369 0.000 .
      637 108 108 ILE C   C 175.902 0.000 .
      638 108 108 ILE CA  C  59.089 0.000 .
      639 108 108 ILE CB  C  41.267 0.000 .
      640 109 109 THR H   H   8.245 0.000 .
      641 109 109 THR HA  H   4.987 0.000 .
      642 109 109 THR C   C 176.152 0.000 .
      643 109 109 THR CA  C  61.806 0.000 .
      644 109 109 THR CB  C  70.597 0.000 .
      645 109 109 THR N   N 112.869 0.000 .
      646 110 110 THR H   H   8.102 0.000 .
      647 110 110 THR HA  H   3.844 0.000 .
      648 110 110 THR C   C 177.028 0.000 .
      649 110 110 THR CA  C  65.402 0.000 .
      650 110 110 THR CB  C  67.480 0.000 .
      651 110 110 THR N   N 110.707 0.000 .
      652 111 111 GLU H   H   8.279 0.000 .
      653 111 111 GLU C   C 179.048 0.000 .
      654 111 111 GLU CA  C  60.527 0.000 .
      655 111 111 GLU CB  C  29.119 0.000 .
      656 111 111 GLU N   N 121.649 0.029 .
      657 112 112 VAL H   H   7.435 0.000 .
      658 112 112 VAL HA  H   3.755 0.000 .
      659 112 112 VAL C   C 178.083 0.000 .
      660 112 112 VAL CA  C  66.041 0.000 .
      661 112 112 VAL CB  C  31.437 0.000 .
      662 112 112 VAL N   N 121.251 0.000 .
      663 113 113 LEU H   H   7.966 0.000 .
      664 113 113 LEU HA  H   3.859 0.000 .
      665 113 113 LEU C   C 177.475 0.000 .
      666 113 113 LEU CA  C  57.730 0.000 .
      667 113 113 LEU CB  C  41.187 0.000 .
      668 113 113 LEU N   N 120.374 0.000 .
      669 114 114 ARG C   C 177.314 0.000 .
      670 114 114 ARG CA  C  60.447 0.000 .
      671 114 114 ARG CB  C  30.637 0.000 .
      672 115 115 GLU H   H   7.108 0.000 .
      673 115 115 GLU HA  H   3.948 0.000 .
      674 115 115 GLU C   C 179.281 0.000 .
      675 115 115 GLU CA  C  59.009 0.000 .
      676 115 115 GLU CB  C  29.119 0.000 .
      677 115 115 GLU N   N 116.189 0.000 .
      678 116 116 ILE H   H   7.799 0.000 .
      679 116 116 ILE HA  H   3.443 0.000 .
      680 116 116 ILE C   C 178.458 0.000 .
      681 116 116 ILE CA  C  65.482 0.000 .
      682 116 116 ILE CB  C  38.310 0.000 .
      683 116 116 ILE N   N 120.550 0.000 .
      684 117 117 LEU H   H   8.323 0.000 .
      685 117 117 LEU HA  H   3.936 0.000 .
      686 117 117 LEU C   C 179.066 0.000 .
      687 117 117 LEU CA  C  58.369 0.000 .
      688 117 117 LEU CB  C  41.347 0.000 .
      689 117 117 LEU N   N 118.303 0.000 .
      690 118 118 LYS H   H   7.701 0.000 .
      691 118 118 LYS HA  H   4.070 0.000 .
      692 118 118 LYS C   C 178.208 0.000 .
      693 118 118 LYS CA  C  58.449 0.000 .
      694 118 118 LYS CB  C  32.476 0.000 .
      695 118 118 LYS N   N 117.228 0.000 .
      696 119 119 GLU H   H   7.526 0.000 .
      697 119 119 GLU HA  H   4.085 0.000 .
      698 119 119 GLU C   C 178.673 0.000 .
      699 119 119 GLU CA  C  58.369 0.000 .
      700 119 119 GLU CB  C  29.279 0.000 .
      701 119 119 GLU N   N 118.034 0.000 .
      702 120 120 LEU H   H   7.744 0.000 .
      703 120 120 LEU HA  H   4.160 0.000 .
      704 120 120 LEU C   C 177.725 0.000 .
      705 120 120 LEU CA  C  56.691 0.000 .
      706 120 120 LEU CB  C  42.545 0.000 .
      707 120 120 LEU N   N 118.980 0.000 .
      708 121 121 ASP H   H   7.719 0.000 .
      709 121 121 ASP HA  H   4.652 0.000 .
      710 121 121 ASP C   C 174.722 0.000 .
      711 121 121 ASP CA  C  53.654 0.000 .
      712 121 121 ASP CB  C  41.187 0.000 .
      713 121 121 ASP N   N 118.291 0.000 .
      714 122 122 ASP H   H   8.396 0.000 .
      715 122 122 ASP HA  H   4.563 0.000 .
      716 122 122 ASP C   C 177.332 0.000 .
      717 122 122 ASP CA  C  55.492 0.000 .
      718 122 122 ASP CB  C  40.388 0.000 .
      719 122 122 ASP N   N 122.804 0.000 .
      720 123 123 LYS H   H   8.232 0.000 .
      721 123 123 LYS HA  H   4.354 0.000 .
      722 123 123 LYS C   C 177.296 0.000 .
      723 123 123 LYS CA  C  55.572 0.000 .
      724 123 123 LYS CB  C  32.156 0.000 .
      725 123 123 LYS N   N 118.139 0.000 .
      726 124 124 ILE H   H   7.286 0.000 .
      727 124 124 ILE HA  H   4.190 0.000 .
      728 124 124 ILE C   C 175.902 0.000 .
      729 124 124 ILE CA  C  62.285 0.000 .
      730 124 124 ILE CB  C  38.869 0.000 .
      731 124 124 ILE N   N 122.372 0.000 .
      732 125 125 THR H   H   8.588 0.000 .
      733 125 125 THR HA  H   4.622 0.000 .
      734 125 125 THR C   C 173.524 0.000 .
      735 125 125 THR CA  C  60.447 0.000 .
      736 125 125 THR CB  C  68.919 0.000 .
      737 125 125 THR N   N 120.008 0.000 .
      738 126 126 PRO HA  H   3.902 0.000 .
      739 126 126 PRO C   C 178.798 0.000 .
      740 126 126 PRO CA  C  66.041 0.000 .
      741 126 126 PRO CB  C  31.836 0.000 .
      742 127 127 GLU H   H   8.708 0.000 .
      743 127 127 GLU HA  H   4.105 0.000 .
      744 127 127 GLU C   C 179.298 0.000 .
      745 127 127 GLU CA  C  60.127 0.000 .
      746 127 127 GLU CB  C  28.799 0.000 .
      747 127 127 GLU N   N 116.107 0.000 .
      748 128 128 ASP H   H   7.737 0.000 .
      749 128 128 ASP HA  H   4.467 0.000 .
      750 128 128 ASP C   C 179.120 0.000 .
      751 128 128 ASP CA  C  57.170 0.000 .
      752 128 128 ASP CB  C  39.908 0.000 .
      753 128 128 ASP N   N 121.776 0.000 .
      754 129 129 LEU H   H   8.499 0.000 .
      755 129 129 LEU C   C 178.136 0.000 .
      756 129 129 LEU CA  C  58.529 0.000 .
      757 129 129 LEU CB  C  41.906 0.000 .
      758 129 129 LEU N   N 123.190 0.000 .
      759 130 130 ASP H   H   8.057 0.000 .
      760 130 130 ASP HA  H   4.276 0.000 .
      761 130 130 ASP C   C 179.424 0.000 .
      762 130 130 ASP CA  C  58.050 0.000 .
      763 130 130 ASP CB  C  40.228 0.000 .
      764 130 130 ASP N   N 118.104 0.000 .
      765 131 131 MET H   H   7.639 0.000 .
      766 131 131 MET HA  H   4.200 0.000 .
      767 131 131 MET C   C 178.548 0.000 .
      768 131 131 MET CA  C  58.449 0.000 .
      769 131 131 MET CB  C  32.396 0.000 .
      770 131 131 MET N   N 118.618 0.000 .
      771 132 132 MET H   H   8.370 0.000 .
      772 132 132 MET HA  H   4.154 0.000 .
      773 132 132 MET C   C 178.655 0.000 .
      774 132 132 MET CA  C  59.248 0.000 .
      775 132 132 MET CB  C  32.955 0.000 .
      776 132 132 MET N   N 120.339 0.000 .
      777 133 133 ILE H   H   8.283 0.000 .
      778 133 133 ILE HA  H   3.532 0.000 .
      779 133 133 ILE C   C 177.135 0.000 .
      780 133 133 ILE CA  C  64.523 0.000 .
      781 133 133 ILE CB  C  36.392 0.000 .
      782 133 133 ILE N   N 118.563 0.000 .
      783 134 134 GLN H   H   7.482 0.000 .
      784 134 134 GLN HA  H   4.027 0.000 .
      785 134 134 GLN C   C 177.779 0.000 .
      786 134 134 GLN CA  C  58.529 0.000 .
      787 134 134 GLN CB  C  28.480 0.000 .
      788 134 134 GLN N   N 117.228 0.000 .
      789 135 135 GLU H   H   7.650 0.000 .
      790 135 135 GLU HA  H   4.011 0.000 .
      791 135 135 GLU C   C 178.136 0.000 .
      792 135 135 GLU CA  C  58.449 0.000 .
      793 135 135 GLU CB  C  29.758 0.000 .
      794 135 135 GLU N   N 117.333 0.000 .
      795 136 136 ILE H   H   8.144 0.000 .
      796 136 136 ILE HA  H   3.861 0.000 .
      797 136 136 ILE C   C 177.582 0.000 .
      798 136 136 ILE CA  C  63.884 0.000 .
      799 136 136 ILE CB  C  38.629 0.000 .
      800 136 136 ILE N   N 117.777 0.000 .
      801 137 137 ASP H   H   8.188 0.000 .
      802 137 137 ASP HA  H   5.011 0.000 .
      803 137 137 ASP C   C 178.297 0.000 .
      804 137 137 ASP CA  C  52.375 0.000 .
      805 137 137 ASP CB  C  38.629 0.000 .
      806 137 137 ASP N   N 118.373 0.000 .
      807 138 138 SER H   H   8.152 0.000 .
      808 138 138 SER C   C 177.493 0.000 .
      809 138 138 SER CA  C  60.847 0.000 .
      810 138 138 SER CB  C  63.324 0.000 .
      811 138 138 SER N   N 119.763 0.000 .
      812 139 139 ASP H   H   8.035 0.000 .
      813 139 139 ASP HA  H   4.742 0.000 .
      814 139 139 ASP C   C 177.672 0.000 .
      815 139 139 ASP CA  C  52.695 0.000 .
      816 139 139 ASP CB  C  39.988 0.000 .
      817 139 139 ASP N   N 117.532 0.000 .
      818 140 140 GLY H   H   8.096 0.000 .
      819 140 140 GLY HA2 H   3.827 0.000 .
      820 140 140 GLY HA3 H   3.827 0.000 .
      821 140 140 GLY C   C 175.348 0.000 .
      822 140 140 GLY CA  C  47.101 0.000 .
      823 140 140 GLY N   N 109.597 0.000 .
      824 141 141 SER H   H   8.385 0.000 .
      825 141 141 SER HA  H   4.164 0.000 .
      826 141 141 SER C   C 176.331 0.000 .
      827 141 141 SER CA  C  60.447 0.000 .
      828 141 141 SER CB  C  65.003 0.000 .
      829 141 141 SER N   N 115.675 0.000 .
      830 142 142 GLY H   H  10.868 0.002 .
      831 142 142 GLY HA2 H   4.224 0.000 .
      832 142 142 GLY HA3 H   3.599 0.000 .
      833 142 142 GLY C   C 173.578 0.000 .
      834 142 142 GLY CA  C  45.422 0.000 .
      835 142 142 GLY N   N 116.736 0.000 .
      836 143 143 THR H   H   7.905 0.000 .
      837 143 143 THR HA  H   4.764 0.000 .
      838 143 143 THR C   C 172.362 0.000 .
      839 143 143 THR CA  C  58.449 0.000 .
      840 143 143 THR CB  C  72.835 0.000 .
      841 143 143 THR N   N 110.164 0.000 .
      842 144 144 VAL H   H   9.852 0.001 .
      843 144 144 VAL HA  H   5.269 0.000 .
      844 144 144 VAL C   C 174.740 0.000 .
      845 144 144 VAL CA  C  60.847 0.000 .
      846 144 144 VAL CB  C  34.074 0.000 .
      847 144 144 VAL N   N 126.835 0.000 .
      848 145 145 ASP H   H   8.286 0.000 .
      849 145 145 ASP HA  H   5.462 0.000 .
      850 145 145 ASP C   C 175.777 0.000 .
      851 145 145 ASP CA  C  51.976 0.000 .
      852 145 145 ASP CB  C  42.306 0.000 .
      853 145 145 ASP N   N 126.306 0.000 .
      854 146 146 PHE H   H   8.556 0.000 .
      855 146 146 PHE HA  H   5.428 0.000 .
      856 146 146 PHE C   C 176.436 0.000 .
      857 146 146 PHE CA  C  62.205 0.000 .
      858 146 146 PHE CB  C  39.029 0.000 .
      859 146 146 PHE N   N 119.378 0.000 .
      860 147 147 ASP H   H   8.003 0.000 .
      861 147 147 ASP HA  H   4.757 0.000 .
      862 147 147 ASP C   C 179.233 0.000 .
      863 147 147 ASP CA  C  57.970 0.000 .
      864 147 147 ASP CB  C  40.068 0.000 .
      865 147 147 ASP N   N 117.263 0.000 .
      866 148 148 GLU H   H   8.283 0.000 .
      867 148 148 GLU HA  H   4.040 0.000 .
      868 148 148 GLU HB2 H   2.414 0.000 .
      869 148 148 GLU HB3 H   2.414 0.000 .
      870 148 148 GLU C   C 179.227 0.000 .
      871 148 148 GLU CA  C  59.089 0.000 .
      872 148 148 GLU CB  C  30.078 0.000 .
      873 148 148 GLU N   N 121.632 0.000 .
      874 149 149 PHE H   H   8.126 0.000 .
      875 149 149 PHE HA  H   4.022 0.000 .
      876 149 149 PHE C   C 176.492 0.000 .
      877 149 149 PHE CA  C  60.527 0.000 .
      878 149 149 PHE CB  C  40.068 0.000 .
      879 149 149 PHE N   N 118.992 0.000 .
      880 150 150 MET H   H   8.436 0.000 .
      881 150 150 MET HA  H   3.652 0.000 .
      882 150 150 MET C   C 177.743 0.000 .
      883 150 150 MET CA  C  57.810 0.000 .
      884 150 150 MET CB  C  31.357 0.000 .
      885 150 150 MET N   N 117.030 0.000 .
      886 151 151 GLU H   H   7.669 0.001 .
      887 151 151 GLU HA  H   3.936 0.000 .
      888 151 151 GLU C   C 178.297 0.000 .
      889 151 151 GLU CA  C  58.929 0.000 .
      890 151 151 GLU CB  C  29.119 0.000 .
      891 151 151 GLU N   N 117.743 0.000 .
      892 152 152 VAL H   H   7.097 0.000 .
      893 152 152 VAL HA  H   3.844 0.000 .
      894 152 152 VAL C   C 176.903 0.000 .
      895 152 152 VAL CA  C  64.044 0.000 .
      896 152 152 VAL CB  C  32.396 0.000 .
      897 152 152 VAL N   N 115.967 0.000 .
      898 153 153 MET H   H   7.642 0.000 .
      899 153 153 MET HA  H   4.288 0.000 .
      900 153 153 MET C   C 177.350 0.000 .
      901 153 153 MET CA  C  55.732 0.000 .
      902 153 153 MET CB  C  31.996 0.000 .
      903 153 153 MET N   N 117.789 0.000 .
      904 154 154 ILE H   H   7.941 0.000 .
      905 154 154 ILE HA  H   4.187 0.000 .
      906 154 154 ILE HD1 H   0.795 0.000 .
      907 154 154 ILE C   C 176.537 0.000 .
      908 154 154 ILE CA  C  61.566 0.000 .
      909 154 154 ILE CB  C  38.789 0.000 .
      910 154 154 ILE N   N 117.263 0.000 .
      911 155 155 GLY H   H   7.876 0.000 .
      912 155 155 GLY HA2 H   3.974 0.000 .
      913 155 155 GLY HA3 H   3.974 0.000 .
      914 155 155 GLY C   C 174.618 0.000 .
      915 155 155 GLY CA  C  45.662 0.000 .
      916 155 155 GLY N   N 111.048 0.000 .
      917 156 156 GLY H   H   8.234 0.000 .
      918 156 156 GLY HA2 H   3.989 0.000 .
      919 156 156 GLY HA3 H   3.989 0.000 .
      920 156 156 GLY C   C 173.876 0.000 .
      921 156 156 GLY CA  C  45.342 0.000 .
      922 156 156 GLY N   N 109.062 0.000 .
      923 157 157 ASP H   H   8.345 0.000 .
      924 157 157 ASP HA  H   4.645 0.000 .
      925 157 157 ASP C   C 175.344 0.000 .
      926 157 157 ASP CA  C  54.373 0.000 .
      927 157 157 ASP CB  C  41.267 0.000 .
      928 157 157 ASP N   N 120.935 0.000 .
      929 158 158 GLU H   H   7.973 0.000 .
      930 158 158 GLU C   C 181.212 0.000 .
      931 158 158 GLU CA  C  58.050 0.000 .
      932 158 158 GLU CB  C  30.877 0.000 .
      933 158 158 GLU N   N 125.927 0.000 .

   stop_

save_