data_27436

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

save_entry_information
   _Saveframe_category      entry_information

   _Entry_title
;
Backbone and side-chain resonance assignments of the methyl-CpG-binding domain of MBD6 from Arabidopsis thaliana
;
   _BMRB_accession_number   27436
   _BMRB_flat_file_name     bmr27436.str
   _Entry_type              original
   _Submission_date         2018-03-28
   _Accession_date          2018-03-28
   _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 Iwakawa   Naoto    . .
      2 Mahana    Yutaka   . .
      3 Ono       Arina    . .
      4 Ohki      Izuru    . .
      5 Walinda   Erik     . .
      6 Morimoto  Daichi   . .
      7 Sugase    Kenji    . .
      8 Shirakawa Masahiro . .

   stop_

   loop_
      _Saveframe_category_type
      _Saveframe_category_type_count

      assigned_chemical_shifts 1

   stop_

   loop_
      _Data_type
      _Data_type_count

      "1H chemical shifts"  402
      "13C chemical shifts" 305
      "15N chemical shifts"  64

   stop_

   loop_
      _Revision_date
      _Revision_keyword
      _Revision_author
      _Revision_detail

      2019-04-25 update   BMRB   'update entry citation'
      2018-11-16 original author 'original release'

   stop_

   _Original_release_date   2018-03-29

save_


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

save_entry_citation
   _Saveframe_category           entry_citation

   _Citation_full                .
   _Citation_title
;
Backbone and side-chain resonance assignments of the methyl-CpG-binding domain of MBD6 from Arabidopsis thaliana
;
   _Citation_status              published
   _Citation_type                journal
   _CAS_abstract_code            .
   _MEDLINE_UI_code              .
   _PubMed_ID                    30242623

   loop_
      _Author_ordinal
      _Author_family_name
      _Author_given_name
      _Author_middle_initials
      _Author_family_title

      1 Iwakawa   Naoto    . .
      2 Mahana    Yutaka   . .
      3 Ono       Arina    . .
      4 Ohki      Izuru    . .
      5 Walinda   Erik     . .
      6 Morimoto  Daichi   . .
      7 Sugase    Kenji    . .
      8 Shirakawa Masahiro . .

   stop_

   _Journal_abbreviation        'Biomol. NMR Assignments'
   _Journal_volume               13
   _Journal_issue                1
   _Journal_CSD                  .
   _Book_chapter_title           .
   _Book_volume                  .
   _Book_series                  .
   _Book_ISBN                    .
   _Conference_state_province    .
   _Conference_abstract_number   .
   _Page_first                   59
   _Page_last                    62
   _Year                         2019
   _Details                      .

save_


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

save_assembly
   _Saveframe_category         molecular_system

   _Mol_system_name            MBD6
   _Enzyme_commission_number   .

   loop_
      _Mol_system_component_name
      _Mol_label

      MBD6 $AtMBD6

   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_AtMBD6
   _Saveframe_category                          monomeric_polymer

   _Mol_type                                    polymer
   _Mol_polymer_class                           protein
   _Name_common                                 AtMBD6
   _Molecular_mass                              .
   _Mol_thiol_state                            'not present'
   _Details                                     .

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

      _Residue_count                               68
   _Mol_residue_sequence
;
GPLGSDNWLPPGWRVEDKIR
TSGATAGSVDKYYYEPNTGR
KFRSRTEVLYYLEHGTSKRG
TKKAENTY
;

   loop_
      _Residue_seq_code
      _Residue_author_seq_code
      _Residue_label

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

   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

      $AtMBD6 'Thale cress' 3702 Eukaryota Viridiplantae Arabidopsis thaliana

   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

      $AtMBD6 'recombinant technology' . Escherichia coli . pGEX6p-1

   stop_

save_


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

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

save_sample_1
   _Saveframe_category   sample

   _Sample_type          solution
   _Details              .

   loop_
      _Mol_label
      _Concentration_value
      _Concentration_value_units
      _Isotopic_labeling

      $AtMBD6             5 mM '[U-100% 13C; U-100% 15N]'
       D2O                5 %   [U-2H]
       H2O               95 %  'natural abundance'
      'sodium chloride'  50 mM 'natural abundance'
      'sodium phosphate' 20 mM 'natural abundance'

   stop_

save_


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

save_TOPSPIN
   _Saveframe_category   software

   _Name                 TOPSPIN
   _Version              .

   loop_
      _Vendor
      _Address
      _Electronic_address

      'Bruker Biospin' . .

   stop_

   loop_
      _Task

      collection

   stop_

   _Details              .

save_


save_NMRPipe
   _Saveframe_category   software

   _Name                 NMRPipe
   _Version              .

   loop_
      _Vendor
      _Address
      _Electronic_address

      'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . .

   stop_

   loop_
      _Task

      processing

   stop_

   _Details              .

save_


save_MagRO
   _Saveframe_category   software

   _Name                 MagRO
   _Version              .

   loop_
      _Vendor
      _Address
      _Electronic_address

      'Kobayashi N, Iwahara J, Koshiba S, Tomizawa T, Tochio N, G ntert P, Kigawa T, Yokoyama S' . .

   stop_

   loop_
      _Task

      'chemical shift assignment'

   stop_

   _Details              .

save_


save_CYANA
   _Saveframe_category   software

   _Name                 CYANA
   _Version              .

   loop_
      _Vendor
      _Address
      _Electronic_address

      'Guntert, Mumenthaler and Wuthrich' . .

   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       700
   _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_3D_HNCO_2
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D HNCO'
   _Sample_label        $sample_1

save_


save_3D_HN(CA)CO_3
   _Saveframe_category   NMR_applied_experiment

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

save_


save_3D_HNCACB_4
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D HNCACB'
   _Sample_label        $sample_1

save_


save_3D_CBCA(CO)NH_5
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D CBCA(CO)NH'
   _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

      pH            6.5 . pH
      pressure      1   . atm
      temperature 293   . 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

      DSS C 13 'methyl protons' ppm 0.00 na       indirect . . . 0.251449530
      DSS H  1 'methyl protons' ppm 0.00 internal direct   . . . 1.000000000
      DSS N 15 'methyl protons' ppm 0.00 na       indirect . . . 0.101329118

   stop_

save_


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

###################################################################
#       Chemical Shift Ambiguity Index Value Definitions          #
#                                                                 #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains.                              #
#                                                                 #
#   Index Value            Definition                             #
#                                                                 #
#      1             Unique (including isolated methyl protons,   #
#                         geminal atoms, and geminal methyl       #
#                         groups with identical chemical shifts)  #
#                         (e.g. ILE HD11, HD12, HD13 protons)     #
#      2             Ambiguity of geminal atoms or geminal methyl #
#                         proton groups (e.g. ASP HB2 and HB3     #
#                         protons, LEU CD1 and CD2 carbons, or    #
#                         LEU HD11, HD12, HD13 and HD21, HD22,    #
#                         HD23 methyl protons)                    #
#      3             Aromatic atoms on opposite sides of          #
#                         symmetrical rings (e.g. TYR HE1 and HE2 #
#                         protons)                                #
#      4             Intraresidue ambiguities (e.g. LYS HG and    #
#                         HD protons or TRP HZ2 and HZ3 protons)  #
#      5             Interresidue ambiguities (LYS 12 vs. LYS 27) #
#      6             Intermolecular ambiguities (e.g. ASP 31 CA   #
#                         in monomer 1 and ASP 31 CA in monomer 2 #
#                         of an asymmetrical homodimer, duplex    #
#                         DNA assignments, or other assignments   #
#                         that may apply to atoms in one or more  #
#                         molecule in the molecular assembly)     #
#      9             Ambiguous, specific ambiguity not defined    #
#                                                                 #
###################################################################
save_assigned_chem_shift_list_1
   _Saveframe_category               assigned_chemical_shifts

   _Details                          .

   loop_
      _Software_label

      $MagRO

   stop_

   loop_
      _Experiment_label

      '2D 1H-15N HSQC'

   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        MBD6
   _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  74  2 PRO HA   H   4.472 0.030 1
        2  74  2 PRO HB2  H   1.935 0.030 2
        3  74  2 PRO HB3  H   2.310 0.030 2
        4  74  2 PRO HG2  H   2.007 0.030 1
        5  74  2 PRO HG3  H   2.007 0.030 1
        6  74  2 PRO HD2  H   3.569 0.030 1
        7  74  2 PRO HD3  H   3.569 0.030 1
        8  74  2 PRO C    C 177.062 0.300 1
        9  74  2 PRO CA   C  63.111 0.300 1
       10  74  2 PRO CB   C  32.352 0.300 1
       11  74  2 PRO CG   C  26.985 0.300 1
       12  74  2 PRO CD   C  49.735 0.300 1
       13  75  3 LEU H    H   8.583 0.030 1
       14  75  3 LEU HA   H   4.359 0.030 1
       15  75  3 LEU HB2  H   1.589 0.030 2
       16  75  3 LEU HB3  H   1.682 0.030 2
       17  75  3 LEU HG   H   1.669 0.030 1
       18  75  3 LEU HD1  H   0.930 0.030 2
       19  75  3 LEU HD2  H   0.886 0.030 2
       20  75  3 LEU C    C 178.067 0.300 1
       21  75  3 LEU CA   C  55.416 0.300 1
       22  75  3 LEU CB   C  42.311 0.300 1
       23  75  3 LEU CG   C  27.000 0.300 1
       24  75  3 LEU CD1  C  24.939 0.300 2
       25  75  3 LEU CD2  C  23.443 0.300 2
       26  75  3 LEU N    N 122.393 0.300 1
       27  76  4 GLY H    H   8.485 0.030 1
       28  76  4 GLY HA2  H   4.024 0.030 1
       29  76  4 GLY HA3  H   4.024 0.030 1
       30  76  4 GLY C    C 174.571 0.300 1
       31  76  4 GLY CA   C  45.364 0.300 1
       32  76  4 GLY N    N 110.187 0.300 1
       33  77  5 SER H    H   8.309 0.030 1
       34  77  5 SER HA   H   4.451 0.030 1
       35  77  5 SER HB2  H   3.864 0.030 2
       36  77  5 SER HB3  H   3.926 0.030 2
       37  77  5 SER C    C 174.591 0.300 1
       38  77  5 SER CA   C  58.774 0.300 1
       39  77  5 SER CB   C  63.970 0.300 1
       40  77  5 SER N    N 115.733 0.300 1
       41  78  6 ASP H    H   8.527 0.030 1
       42  78  6 ASP HA   H   4.779 0.030 1
       43  78  6 ASP HB2  H   2.556 0.030 2
       44  78  6 ASP HB3  H   2.635 0.030 2
       45  78  6 ASP C    C 176.262 0.300 1
       46  78  6 ASP CA   C  54.450 0.300 1
       47  78  6 ASP CB   C  40.964 0.300 1
       48  78  6 ASP N    N 121.391 0.300 1
       49  79  7 ASN H    H   8.273 0.030 1
       50  79  7 ASN HA   H   4.567 0.030 1
       51  79  7 ASN HB2  H   2.813 0.030 1
       52  79  7 ASN HB3  H   2.813 0.030 1
       53  79  7 ASN C    C 174.427 0.300 1
       54  79  7 ASN CA   C  54.034 0.300 1
       55  79  7 ASN CB   C  38.139 0.300 1
       56  79  7 ASN N    N 119.089 0.300 1
       57  80  8 TRP H    H   7.307 0.030 1
       58  80  8 TRP HA   H   4.363 0.030 1
       59  80  8 TRP HB2  H   3.002 0.030 2
       60  80  8 TRP HB3  H   3.391 0.030 2
       61  80  8 TRP HD1  H   7.429 0.030 1
       62  80  8 TRP HE1  H  10.395 0.030 1
       63  80  8 TRP HE3  H   7.116 0.030 1
       64  80  8 TRP HZ2  H   7.223 0.030 1
       65  80  8 TRP HZ3  H   6.349 0.030 1
       66  80  8 TRP HH2  H   6.094 0.030 1
       67  80  8 TRP C    C 175.403 0.300 1
       68  80  8 TRP CA   C  55.776 0.300 1
       69  80  8 TRP CB   C  29.161 0.300 1
       70  80  8 TRP CD1  C 127.424 0.300 1
       71  80  8 TRP CE3  C 120.875 0.300 1
       72  80  8 TRP CZ2  C 114.134 0.300 1
       73  80  8 TRP CZ3  C 120.732 0.300 1
       74  80  8 TRP CH2  C 124.235 0.300 1
       75  80  8 TRP N    N 118.387 0.300 1
       76  80  8 TRP NE1  N 130.562 0.300 1
       77  81  9 LEU H    H   6.750 0.030 1
       78  81  9 LEU HA   H   3.528 0.030 1
       79  81  9 LEU HB2  H   1.077 0.030 2
       80  81  9 LEU HB3  H   0.486 0.030 2
       81  81  9 LEU HG   H   0.612 0.030 1
       82  81  9 LEU HD1  H   0.455 0.030 1
       83  81  9 LEU HD2  H   0.312 0.030 1
       84  81  9 LEU C    C 174.097 0.300 1
       85  81  9 LEU CA   C  52.612 0.300 1
       86  81  9 LEU CB   C  42.174 0.300 1
       87  81  9 LEU CG   C  26.080 0.300 1
       88  81  9 LEU CD1  C  25.217 0.300 1
       89  81  9 LEU CD2  C  25.217 0.300 1
       90  81  9 LEU N    N 125.310 0.300 1
       91  82 10 PRO HA   H   4.577 0.030 1
       92  82 10 PRO HB2  H   1.793 0.030 2
       93  82 10 PRO HB3  H   2.503 0.030 2
       94  82 10 PRO HG2  H   1.533 0.030 2
       95  82 10 PRO HG3  H   1.706 0.030 2
       96  82 10 PRO HD2  H   2.096 0.030 2
       97  82 10 PRO HD3  H   3.372 0.030 2
       98  82 10 PRO CA   C  61.453 0.300 1
       99  82 10 PRO CB   C  30.005 0.300 1
      100  82 10 PRO CG   C  27.755 0.300 1
      101  82 10 PRO CD   C  49.943 0.300 1
      102  83 11 PRO HA   H   4.401 0.030 1
      103  83 11 PRO HB2  H   1.933 0.030 2
      104  83 11 PRO HB3  H   2.369 0.030 2
      105  83 11 PRO HG2  H   2.144 0.030 2
      106  83 11 PRO HG3  H   2.052 0.030 2
      107  83 11 PRO HD2  H   3.626 0.030 2
      108  83 11 PRO HD3  H   3.841 0.030 2
      109  83 11 PRO C    C 178.055 0.300 1
      110  83 11 PRO CA   C  63.769 0.300 1
      111  83 11 PRO CB   C  31.921 0.300 1
      112  83 11 PRO CG   C  27.821 0.300 1
      113  83 11 PRO CD   C  50.505 0.300 1
      114  84 12 GLY H    H   8.857 0.030 1
      115  84 12 GLY HA2  H   3.700 0.030 2
      116  84 12 GLY HA3  H   4.348 0.030 2
      117  84 12 GLY C    C 175.386 0.300 1
      118  84 12 GLY CA   C  45.447 0.300 1
      119  84 12 GLY N    N 111.219 0.300 1
      120  85 13 TRP H    H   7.650 0.030 1
      121  85 13 TRP HA   H   4.588 0.030 1
      122  85 13 TRP HB2  H   3.181 0.030 2
      123  85 13 TRP HB3  H   3.122 0.030 2
      124  85 13 TRP HD1  H   7.150 0.030 1
      125  85 13 TRP HE3  H   7.368 0.030 1
      126  85 13 TRP HZ2  H   7.628 0.030 1
      127  85 13 TRP HZ3  H   6.786 0.030 1
      128  85 13 TRP HH2  H   6.677 0.030 1
      129  85 13 TRP C    C 175.670 0.300 1
      130  85 13 TRP CA   C  59.218 0.300 1
      131  85 13 TRP CB   C  29.381 0.300 1
      132  85 13 TRP CD1  C 126.862 0.300 1
      133  85 13 TRP CE3  C 120.052 0.300 1
      134  85 13 TRP CZ2  C 114.026 0.300 1
      135  85 13 TRP CZ3  C 122.204 0.300 1
      136  85 13 TRP CH2  C 124.015 0.300 1
      137  85 13 TRP N    N 121.608 0.300 1
      138  86 14 ARG H    H   8.454 0.030 1
      139  86 14 ARG HA   H   4.919 0.030 1
      140  86 14 ARG HB2  H   1.774 0.030 2
      141  86 14 ARG HB3  H   1.888 0.030 2
      142  86 14 ARG HG2  H   1.629 0.030 2
      143  86 14 ARG HG3  H   1.534 0.030 2
      144  86 14 ARG HD2  H   3.083 0.030 2
      145  86 14 ARG HD3  H   3.181 0.030 2
      146  86 14 ARG C    C 174.397 0.300 1
      147  86 14 ARG CA   C  54.741 0.300 1
      148  86 14 ARG CB   C  34.008 0.300 1
      149  86 14 ARG CG   C  27.966 0.300 1
      150  86 14 ARG CD   C  43.336 0.300 1
      151  86 14 ARG N    N 121.316 0.300 1
      152  87 15 VAL H    H   8.625 0.030 1
      153  87 15 VAL HA   H   5.110 0.030 1
      154  87 15 VAL HB   H   1.917 0.030 1
      155  87 15 VAL HG1  H   0.790 0.030 2
      156  87 15 VAL HG2  H   0.879 0.030 2
      157  87 15 VAL C    C 175.446 0.300 1
      158  87 15 VAL CA   C  60.344 0.300 1
      159  87 15 VAL CB   C  34.231 0.300 1
      160  87 15 VAL CG1  C  20.869 0.300 2
      161  87 15 VAL CG2  C  21.829 0.300 2
      162  87 15 VAL N    N 122.411 0.300 1
      163  88 16 GLU H    H   9.107 0.030 1
      164  88 16 GLU HA   H   4.670 0.030 1
      165  88 16 GLU HB2  H   2.121 0.030 2
      166  88 16 GLU HB3  H   1.865 0.030 2
      167  88 16 GLU HG2  H   2.208 0.030 2
      168  88 16 GLU HG3  H   2.170 0.030 2
      169  88 16 GLU C    C 173.991 0.300 1
      170  88 16 GLU CA   C  54.739 0.300 1
      171  88 16 GLU CB   C  34.367 0.300 1
      172  88 16 GLU CG   C  36.280 0.300 1
      173  88 16 GLU N    N 127.908 0.300 1
      174  89 17 ASP H    H   8.572 0.030 1
      175  89 17 ASP HA   H   4.991 0.030 1
      176  89 17 ASP HB2  H   2.422 0.030 2
      177  89 17 ASP HB3  H   2.534 0.030 2
      178  89 17 ASP C    C 176.172 0.300 1
      179  89 17 ASP CA   C  53.723 0.300 1
      180  89 17 ASP CB   C  41.743 0.300 1
      181  89 17 ASP N    N 124.685 0.300 1
      182  90 18 LYS H    H   8.791 0.030 1
      183  90 18 LYS HA   H   4.470 0.030 1
      184  90 18 LYS HB2  H   1.604 0.030 2
      185  90 18 LYS HB3  H   1.782 0.030 2
      186  90 18 LYS HG2  H   1.209 0.030 2
      187  90 18 LYS HG3  H   1.252 0.030 2
      188  90 18 LYS HD2  H   1.569 0.030 1
      189  90 18 LYS HD3  H   1.569 0.030 1
      190  90 18 LYS HE2  H   2.840 0.030 1
      191  90 18 LYS HE3  H   2.840 0.030 1
      192  90 18 LYS C    C 175.812 0.300 1
      193  90 18 LYS CA   C  55.560 0.300 1
      194  90 18 LYS CB   C  33.946 0.300 1
      195  90 18 LYS CG   C  24.682 0.300 1
      196  90 18 LYS CD   C  29.020 0.300 1
      197  90 18 LYS CE   C  42.050 0.300 1
      198  90 18 LYS N    N 123.373 0.300 1
      199  91 19 ILE H    H   8.489 0.030 1
      200  91 19 ILE HA   H   4.232 0.030 1
      201  91 19 ILE HB   H   1.788 0.030 1
      202  91 19 ILE HG12 H   1.512 0.030 2
      203  91 19 ILE HG13 H   1.152 0.030 2
      204  91 19 ILE HG2  H   0.857 0.030 1
      205  91 19 ILE HD1  H   0.842 0.030 1
      206  91 19 ILE C    C 176.427 0.300 1
      207  91 19 ILE CA   C  61.313 0.300 1
      208  91 19 ILE CB   C  38.579 0.300 1
      209  91 19 ILE CG1  C  28.089 0.300 1
      210  91 19 ILE CG2  C  17.440 0.300 1
      211  91 19 ILE CD1  C  12.939 0.300 1
      212  91 19 ILE N    N 125.011 0.300 1
      213  92 20 ARG H    H   8.766 0.030 1
      214  92 20 ARG HA   H   4.492 0.030 1
      215  92 20 ARG HB2  H   1.858 0.030 1
      216  92 20 ARG HB3  H   1.858 0.030 1
      217  92 20 ARG HG2  H   1.659 0.030 1
      218  92 20 ARG HG3  H   1.659 0.030 1
      219  92 20 ARG HD2  H   3.162 0.030 1
      220  92 20 ARG HD3  H   3.162 0.030 1
      221  92 20 ARG C    C 177.395 0.300 1
      222  92 20 ARG CA   C  56.199 0.300 1
      223  92 20 ARG CB   C  30.811 0.300 1
      224  92 20 ARG CG   C  27.297 0.300 1
      225  92 20 ARG CD   C  43.335 0.300 1
      226  92 20 ARG N    N 127.182 0.300 1
      227  93 21 THR H    H   8.600 0.030 1
      228  93 21 THR HA   H   4.436 0.030 1
      229  93 21 THR HB   H   4.377 0.030 1
      230  93 21 THR HG2  H   1.206 0.030 1
      231  93 21 THR C    C 174.425 0.300 1
      232  93 21 THR CA   C  61.974 0.300 1
      233  93 21 THR CB   C  69.769 0.300 1
      234  93 21 THR CG2  C  21.709 0.300 1
      235  93 21 THR N    N 115.829 0.300 1
      236  94 22 SER H    H   8.056 0.030 1
      237  94 22 SER HA   H   4.623 0.030 1
      238  94 22 SER HB2  H   3.860 0.030 2
      239  94 22 SER HB3  H   3.892 0.030 2
      240  94 22 SER C    C 174.497 0.300 1
      241  94 22 SER CA   C  57.999 0.300 1
      242  94 22 SER CB   C  64.654 0.300 1
      243  94 22 SER N    N 116.293 0.300 1
      244  95 23 GLY H    H   8.594 0.030 1
      245  95 23 GLY HA2  H   3.913 0.030 2
      246  95 23 GLY HA3  H   4.170 0.030 2
      247  95 23 GLY C    C 174.594 0.300 1
      248  95 23 GLY CA   C  45.156 0.300 1
      249  95 23 GLY N    N 109.938 0.300 1
      250  96 24 ALA H    H   8.475 0.030 1
      251  96 24 ALA HA   H   4.298 0.030 1
      252  96 24 ALA HB   H   1.453 0.030 1
      253  96 24 ALA C    C 178.623 0.300 1
      254  96 24 ALA CA   C  53.608 0.300 1
      255  96 24 ALA CB   C  19.237 0.300 1
      256  96 24 ALA N    N 123.235 0.300 1
      257  97 25 THR H    H   8.154 0.030 1
      258  97 25 THR HA   H   4.436 0.030 1
      259  97 25 THR HB   H   4.367 0.030 1
      260  97 25 THR HG2  H   1.198 0.030 1
      261  97 25 THR C    C 174.320 0.300 1
      262  97 25 THR CA   C  60.935 0.300 1
      263  97 25 THR CB   C  69.095 0.300 1
      264  97 25 THR CG2  C  21.679 0.300 1
      265  97 25 THR N    N 109.686 0.300 1
      266  98 26 ALA H    H   7.885 0.030 1
      267  98 26 ALA HA   H   4.018 0.030 1
      268  98 26 ALA HB   H   1.312 0.030 1
      269  98 26 ALA C    C 178.119 0.300 1
      270  98 26 ALA CA   C  53.392 0.300 1
      271  98 26 ALA CB   C  18.531 0.300 1
      272  98 26 ALA N    N 125.838 0.300 1
      273  99 27 GLY H    H   8.671 0.030 1
      274  99 27 GLY HA2  H   3.772 0.030 2
      275  99 27 GLY HA3  H   4.236 0.030 2
      276  99 27 GLY C    C 174.388 0.300 1
      277  99 27 GLY CA   C  45.167 0.300 1
      278  99 27 GLY N    N 109.995 0.300 1
      279 100 28 SER H    H   8.131 0.030 1
      280 100 28 SER HA   H   4.552 0.030 1
      281 100 28 SER HB2  H   3.927 0.030 1
      282 100 28 SER HB3  H   3.927 0.030 1
      283 100 28 SER C    C 173.271 0.300 1
      284 100 28 SER CA   C  58.605 0.300 1
      285 100 28 SER CB   C  64.138 0.300 1
      286 100 28 SER N    N 116.027 0.300 1
      287 101 29 VAL H    H   8.337 0.030 1
      288 101 29 VAL HA   H   4.410 0.030 1
      289 101 29 VAL HB   H   2.004 0.030 1
      290 101 29 VAL HG1  H   0.902 0.030 2
      291 101 29 VAL HG2  H   0.842 0.030 2
      292 101 29 VAL C    C 175.714 0.300 1
      293 101 29 VAL CA   C  61.840 0.300 1
      294 101 29 VAL CB   C  33.585 0.300 1
      295 101 29 VAL CG1  C  20.721 0.300 2
      296 101 29 VAL CG2  C  21.432 0.300 2
      297 101 29 VAL N    N 120.566 0.300 1
      298 102 30 ASP H    H   8.674 0.030 1
      299 102 30 ASP HA   H   4.839 0.030 1
      300 102 30 ASP HB2  H   2.573 0.030 1
      301 102 30 ASP HB3  H   2.573 0.030 1
      302 102 30 ASP C    C 174.258 0.300 1
      303 102 30 ASP CA   C  53.882 0.300 1
      304 102 30 ASP CB   C  42.956 0.300 1
      305 102 30 ASP N    N 126.215 0.300 1
      306 103 31 LYS H    H   8.154 0.030 1
      307 103 31 LYS HA   H   4.918 0.030 1
      308 103 31 LYS HB2  H   1.540 0.030 2
      309 103 31 LYS HB3  H   1.359 0.030 2
      310 103 31 LYS HG2  H   1.289 0.030 1
      311 103 31 LYS HG3  H   1.289 0.030 1
      312 103 31 LYS HD2  H   1.594 0.030 1
      313 103 31 LYS HD3  H   1.594 0.030 1
      314 103 31 LYS HE2  H   2.915 0.030 2
      315 103 31 LYS HE3  H   2.964 0.030 2
      316 103 31 LYS C    C 175.002 0.300 1
      317 103 31 LYS CA   C  55.237 0.300 1
      318 103 31 LYS CB   C  35.065 0.300 1
      319 103 31 LYS CG   C  24.853 0.300 1
      320 103 31 LYS CD   C  29.115 0.300 1
      321 103 31 LYS CE   C  42.132 0.300 1
      322 103 31 LYS N    N 121.516 0.300 1
      323 104 32 TYR H    H   8.560 0.030 1
      324 104 32 TYR HA   H   5.045 0.030 1
      325 104 32 TYR HB2  H   2.802 0.030 2
      326 104 32 TYR HB3  H   2.566 0.030 2
      327 104 32 TYR HD1  H   6.994 0.030 1
      328 104 32 TYR HD2  H   6.994 0.030 1
      329 104 32 TYR HE1  H   6.748 0.030 1
      330 104 32 TYR HE2  H   6.748 0.030 1
      331 104 32 TYR C    C 173.750 0.300 1
      332 104 32 TYR CA   C  55.603 0.300 1
      333 104 32 TYR CB   C  41.905 0.300 1
      334 104 32 TYR CD1  C 132.836 0.300 1
      335 104 32 TYR CD2  C 132.836 0.300 1
      336 104 32 TYR CE1  C 118.038 0.300 1
      337 104 32 TYR CE2  C 118.038 0.300 1
      338 104 32 TYR N    N 118.915 0.300 1
      339 105 33 TYR H    H   8.660 0.030 1
      340 105 33 TYR HA   H   5.510 0.030 1
      341 105 33 TYR HB2  H   3.168 0.030 2
      342 105 33 TYR HB3  H   2.912 0.030 2
      343 105 33 TYR HD1  H   6.923 0.030 1
      344 105 33 TYR HD2  H   6.923 0.030 1
      345 105 33 TYR HE1  H   6.678 0.030 1
      346 105 33 TYR HE2  H   6.678 0.030 1
      347 105 33 TYR C    C 175.596 0.300 1
      348 105 33 TYR CA   C  56.470 0.300 1
      349 105 33 TYR CB   C  42.040 0.300 1
      350 105 33 TYR CD1  C 133.543 0.300 1
      351 105 33 TYR CD2  C 133.543 0.300 1
      352 105 33 TYR CE1  C 117.770 0.300 1
      353 105 33 TYR CE2  C 117.770 0.300 1
      354 105 33 TYR N    N 118.388 0.300 1
      355 106 34 TYR H    H   9.583 0.030 1
      356 106 34 TYR HA   H   5.428 0.030 1
      357 106 34 TYR HB2  H   2.659 0.030 2
      358 106 34 TYR HB3  H   2.703 0.030 2
      359 106 34 TYR HD1  H   6.889 0.030 1
      360 106 34 TYR HD2  H   6.889 0.030 1
      361 106 34 TYR HE1  H   6.633 0.030 1
      362 106 34 TYR HE2  H   6.633 0.030 1
      363 106 34 TYR C    C 174.634 0.300 1
      364 106 34 TYR CA   C  56.562 0.300 1
      365 106 34 TYR CB   C  41.275 0.300 1
      366 106 34 TYR CD1  C 133.038 0.300 1
      367 106 34 TYR CD2  C 133.038 0.300 1
      368 106 34 TYR CE1  C 118.033 0.300 1
      369 106 34 TYR CE2  C 118.033 0.300 1
      370 106 34 TYR N    N 120.683 0.300 1
      371 107 35 GLU H    H   8.204 0.030 1
      372 107 35 GLU HA   H   2.355 0.030 1
      373 107 35 GLU HB2  H   1.822 0.030 2
      374 107 35 GLU HB3  H   0.980 0.030 2
      375 107 35 GLU HG2  H   2.295 0.030 2
      376 107 35 GLU HG3  H   1.888 0.030 2
      377 107 35 GLU C    C 174.604 0.300 1
      378 107 35 GLU CA   C  52.551 0.300 1
      379 107 35 GLU CB   C  31.438 0.300 1
      380 107 35 GLU CG   C  35.600 0.300 1
      381 107 35 GLU N    N 128.482 0.300 1
      382 108 36 PRO HA   H   4.096 0.030 1
      383 108 36 PRO HB2  H   1.815 0.030 2
      384 108 36 PRO HB3  H   2.108 0.030 2
      385 108 36 PRO HG2  H   1.712 0.030 2
      386 108 36 PRO HG3  H   1.911 0.030 2
      387 108 36 PRO HD2  H   2.807 0.030 2
      388 108 36 PRO HD3  H   2.388 0.030 2
      389 108 36 PRO C    C 178.469 0.300 1
      390 108 36 PRO CA   C  63.810 0.300 1
      391 108 36 PRO CB   C  31.657 0.300 1
      392 108 36 PRO CG   C  27.015 0.300 1
      393 108 36 PRO CD   C  49.711 0.300 1
      394 109 37 ASN H    H   8.926 0.030 1
      395 109 37 ASN HA   H   4.277 0.030 1
      396 109 37 ASN HB2  H   2.824 0.030 2
      397 109 37 ASN HB3  H   3.176 0.030 2
      398 109 37 ASN C    C 176.878 0.300 1
      399 109 37 ASN CA   C  57.208 0.300 1
      400 109 37 ASN CB   C  38.230 0.300 1
      401 109 37 ASN N    N 116.344 0.300 1
      402 110 38 THR H    H   8.404 0.030 1
      403 110 38 THR HA   H   4.292 0.030 1
      404 110 38 THR HB   H   4.256 0.030 1
      405 110 38 THR HG2  H   1.221 0.030 1
      406 110 38 THR C    C 176.933 0.300 1
      407 110 38 THR CA   C  62.122 0.300 1
      408 110 38 THR CB   C  70.030 0.300 1
      409 110 38 THR CG2  C  21.148 0.300 1
      410 110 38 THR N    N 110.529 0.300 1
      411 111 39 GLY H    H   7.872 0.030 1
      412 111 39 GLY HA2  H   3.724 0.030 2
      413 111 39 GLY HA3  H   4.085 0.030 2
      414 111 39 GLY C    C 174.026 0.300 1
      415 111 39 GLY CA   C  45.856 0.300 1
      416 111 39 GLY N    N 110.629 0.300 1
      417 112 40 ARG H    H   7.963 0.030 1
      418 112 40 ARG HA   H   3.896 0.030 1
      419 112 40 ARG HB2  H   1.494 0.030 2
      420 112 40 ARG HB3  H   1.624 0.030 2
      421 112 40 ARG HG2  H   1.076 0.030 2
      422 112 40 ARG HG3  H   1.471 0.030 2
      423 112 40 ARG HD2  H   3.078 0.030 2
      424 112 40 ARG HD3  H   2.873 0.030 2
      425 112 40 ARG HH11 H   8.582 0.030 1
      426 112 40 ARG HH12 H   8.582 0.030 1
      427 112 40 ARG C    C 174.320 0.300 1
      428 112 40 ARG CA   C  57.627 0.300 1
      429 112 40 ARG CB   C  30.830 0.300 1
      430 112 40 ARG CG   C  27.380 0.300 1
      431 112 40 ARG CD   C  43.529 0.300 1
      432 112 40 ARG N    N 121.402 0.300 1
      433 113 41 LYS H    H   7.889 0.030 1
      434 113 41 LYS HA   H   4.908 0.030 1
      435 113 41 LYS HB2  H   1.372 0.030 2
      436 113 41 LYS HB3  H   1.406 0.030 2
      437 113 41 LYS HG2  H   0.808 0.030 2
      438 113 41 LYS HG3  H   0.878 0.030 2
      439 113 41 LYS HD2  H   1.189 0.030 2
      440 113 41 LYS HD3  H   1.269 0.030 2
      441 113 41 LYS HE2  H   2.469 0.030 1
      442 113 41 LYS HE3  H   2.469 0.030 1
      443 113 41 LYS C    C 175.449 0.300 1
      444 113 41 LYS CA   C  54.892 0.300 1
      445 113 41 LYS CB   C  35.606 0.300 1
      446 113 41 LYS CG   C  24.278 0.300 1
      447 113 41 LYS CD   C  29.749 0.300 1
      448 113 41 LYS CE   C  41.622 0.300 1
      449 113 41 LYS N    N 123.408 0.300 1
      450 114 42 PHE H    H   9.465 0.030 1
      451 114 42 PHE HA   H   4.890 0.030 1
      452 114 42 PHE HB2  H   3.036 0.030 2
      453 114 42 PHE HB3  H   3.253 0.030 2
      454 114 42 PHE HD1  H   7.335 0.030 1
      455 114 42 PHE HD2  H   7.335 0.030 1
      456 114 42 PHE HE1  H   6.936 0.030 1
      457 114 42 PHE HE2  H   6.936 0.030 1
      458 114 42 PHE HZ   H   5.846 0.030 1
      459 114 42 PHE C    C 176.405 0.300 1
      460 114 42 PHE CA   C  56.735 0.300 1
      461 114 42 PHE CB   C  43.957 0.300 1
      462 114 42 PHE CD1  C 132.293 0.300 1
      463 114 42 PHE CD2  C 132.293 0.300 1
      464 114 42 PHE CE1  C 131.259 0.300 1
      465 114 42 PHE CE2  C 131.259 0.300 1
      466 114 42 PHE CZ   C 129.551 0.300 1
      467 114 42 PHE N    N 122.918 0.300 1
      468 115 43 ARG H    H   9.224 0.030 1
      469 115 43 ARG HA   H   4.776 0.030 1
      470 115 43 ARG HB2  H   1.914 0.030 2
      471 115 43 ARG HB3  H   2.129 0.030 2
      472 115 43 ARG HG2  H   1.537 0.030 2
      473 115 43 ARG HG3  H   1.698 0.030 2
      474 115 43 ARG HD2  H   3.221 0.030 1
      475 115 43 ARG HD3  H   3.221 0.030 1
      476 115 43 ARG C    C 175.471 0.300 1
      477 115 43 ARG CA   C  56.531 0.300 1
      478 115 43 ARG CB   C  31.626 0.300 1
      479 115 43 ARG CG   C  27.733 0.300 1
      480 115 43 ARG CD   C  43.185 0.300 1
      481 115 43 ARG N    N 118.678 0.300 1
      482 116 44 SER H    H   7.539 0.030 1
      483 116 44 SER HA   H   5.044 0.030 1
      484 116 44 SER HB2  H   4.095 0.030 2
      485 116 44 SER HB3  H   4.289 0.030 2
      486 116 44 SER C    C 173.405 0.300 1
      487 116 44 SER CA   C  57.191 0.300 1
      488 116 44 SER CB   C  66.619 0.300 1
      489 116 44 SER N    N 109.230 0.300 1
      490 117 45 ARG H    H   9.063 0.030 1
      491 117 45 ARG HA   H   3.330 0.030 1
      492 117 45 ARG HB2  H   1.515 0.030 2
      493 117 45 ARG HB3  H   1.301 0.030 2
      494 117 45 ARG HG2  H   0.782 0.030 2
      495 117 45 ARG HG3  H   0.027 0.030 2
      496 117 45 ARG HD2  H   2.259 0.030 2
      497 117 45 ARG HD3  H   2.555 0.030 2
      498 117 45 ARG C    C 177.273 0.300 1
      499 117 45 ARG CA   C  58.978 0.300 1
      500 117 45 ARG CB   C  30.028 0.300 1
      501 117 45 ARG CG   C  26.184 0.300 1
      502 117 45 ARG CD   C  43.257 0.300 1
      503 117 45 ARG N    N 123.704 0.300 1
      504 118 46 THR H    H   8.008 0.030 1
      505 118 46 THR HA   H   3.686 0.030 1
      506 118 46 THR HB   H   4.037 0.030 1
      507 118 46 THR HG2  H   1.194 0.030 1
      508 118 46 THR C    C 176.843 0.300 1
      509 118 46 THR CA   C  66.466 0.300 1
      510 118 46 THR CB   C  68.593 0.300 1
      511 118 46 THR CG2  C  21.937 0.300 1
      512 118 46 THR N    N 112.908 0.300 1
      513 119 47 GLU H    H   7.765 0.030 1
      514 119 47 GLU HA   H   4.131 0.030 1
      515 119 47 GLU HB2  H   2.353 0.030 2
      516 119 47 GLU HB3  H   2.491 0.030 2
      517 119 47 GLU HG2  H   2.516 0.030 2
      518 119 47 GLU HG3  H   2.435 0.030 2
      519 119 47 GLU C    C 179.671 0.300 1
      520 119 47 GLU CA   C  59.630 0.300 1
      521 119 47 GLU CB   C  31.190 0.300 1
      522 119 47 GLU CG   C  37.304 0.300 1
      523 119 47 GLU N    N 121.184 0.300 1
      524 120 48 VAL H    H   7.649 0.030 1
      525 120 48 VAL HA   H   2.944 0.030 1
      526 120 48 VAL HB   H   1.926 0.030 1
      527 120 48 VAL HG1  H   0.101 0.030 2
      528 120 48 VAL HG2  H   0.688 0.030 2
      529 120 48 VAL C    C 177.147 0.300 1
      530 120 48 VAL CA   C  66.835 0.300 1
      531 120 48 VAL CB   C  31.538 0.300 1
      532 120 48 VAL CG1  C  20.604 0.300 2
      533 120 48 VAL CG2  C  23.450 0.300 2
      534 120 48 VAL N    N 121.046 0.300 1
      535 121 49 LEU H    H   8.308 0.030 1
      536 121 49 LEU HA   H   3.851 0.030 1
      537 121 49 LEU HB2  H   1.410 0.030 2
      538 121 49 LEU HB3  H   1.671 0.030 2
      539 121 49 LEU HG   H   1.517 0.030 1
      540 121 49 LEU HD1  H   0.736 0.030 2
      541 121 49 LEU HD2  H   0.583 0.030 2
      542 121 49 LEU C    C 179.738 0.300 1
      543 121 49 LEU CA   C  58.151 0.300 1
      544 121 49 LEU CB   C  40.805 0.300 1
      545 121 49 LEU CG   C  26.806 0.300 1
      546 121 49 LEU CD1  C  22.526 0.300 2
      547 121 49 LEU CD2  C  25.441 0.300 2
      548 121 49 LEU N    N 117.979 0.300 1
      549 122 50 TYR H    H   8.109 0.030 1
      550 122 50 TYR HA   H   4.244 0.030 1
      551 122 50 TYR HB2  H   3.164 0.030 1
      552 122 50 TYR HB3  H   3.164 0.030 1
      553 122 50 TYR HD1  H   7.211 0.030 1
      554 122 50 TYR HD2  H   7.211 0.030 1
      555 122 50 TYR HE1  H   6.650 0.030 1
      556 122 50 TYR HE2  H   6.650 0.030 1
      557 122 50 TYR C    C 178.322 0.300 1
      558 122 50 TYR CA   C  62.174 0.300 1
      559 122 50 TYR CB   C  38.443 0.300 1
      560 122 50 TYR CD1  C 133.483 0.300 1
      561 122 50 TYR CD2  C 133.483 0.300 1
      562 122 50 TYR CE1  C 118.005 0.300 1
      563 122 50 TYR CE2  C 118.005 0.300 1
      564 122 50 TYR N    N 119.827 0.300 1
      565 123 51 TYR H    H   7.935 0.030 1
      566 123 51 TYR HA   H   4.441 0.030 1
      567 123 51 TYR HB2  H   3.114 0.030 2
      568 123 51 TYR HB3  H   3.347 0.030 2
      569 123 51 TYR HD1  H   7.119 0.030 1
      570 123 51 TYR HD2  H   7.119 0.030 1
      571 123 51 TYR HE1  H   7.058 0.030 1
      572 123 51 TYR HE2  H   7.058 0.030 1
      573 123 51 TYR C    C 178.727 0.300 1
      574 123 51 TYR CA   C  60.774 0.300 1
      575 123 51 TYR CB   C  38.883 0.300 1
      576 123 51 TYR CD1  C 133.318 0.300 1
      577 123 51 TYR CD2  C 133.318 0.300 1
      578 123 51 TYR CE1  C 118.551 0.300 1
      579 123 51 TYR CE2  C 118.551 0.300 1
      580 123 51 TYR N    N 121.606 0.300 1
      581 124 52 LEU H    H   8.690 0.030 1
      582 124 52 LEU HA   H   3.833 0.030 1
      583 124 52 LEU HB2  H   1.403 0.030 2
      584 124 52 LEU HB3  H   1.806 0.030 2
      585 124 52 LEU HG   H   1.870 0.030 1
      586 124 52 LEU HD1  H   0.964 0.030 2
      587 124 52 LEU HD2  H   0.627 0.030 2
      588 124 52 LEU C    C 179.099 0.300 1
      589 124 52 LEU CA   C  57.342 0.300 1
      590 124 52 LEU CB   C  41.636 0.300 1
      591 124 52 LEU CG   C  26.547 0.300 1
      592 124 52 LEU CD1  C  22.471 0.300 2
      593 124 52 LEU CD2  C  26.173 0.300 2
      594 124 52 LEU N    N 119.989 0.300 1
      595 125 53 GLU H    H   7.678 0.030 1
      596 125 53 GLU HA   H   4.007 0.030 1
      597 125 53 GLU HB2  H   1.838 0.030 2
      598 125 53 GLU HB3  H   1.551 0.030 2
      599 125 53 GLU HG2  H   1.631 0.030 2
      600 125 53 GLU HG3  H   2.025 0.030 2
      601 125 53 GLU C    C 177.409 0.300 1
      602 125 53 GLU CA   C  57.945 0.300 1
      603 125 53 GLU CB   C  30.299 0.300 1
      604 125 53 GLU CG   C  35.860 0.300 1
      605 125 53 GLU N    N 117.116 0.300 1
      606 126 54 HIS H    H   8.029 0.030 1
      607 126 54 HIS HA   H   4.539 0.030 1
      608 126 54 HIS HB2  H   2.591 0.030 2
      609 126 54 HIS HB3  H   3.113 0.030 2
      610 126 54 HIS HD2  H   6.448 0.030 1
      611 126 54 HIS HE1  H   8.051 0.030 1
      612 126 54 HIS C    C 175.866 0.300 1
      613 126 54 HIS CA   C  56.774 0.300 1
      614 126 54 HIS CB   C  30.142 0.300 1
      615 126 54 HIS CD2  C 120.671 0.300 1
      616 126 54 HIS CE1  C 137.096 0.300 1
      617 126 54 HIS N    N 114.732 0.300 1
      618 127 55 GLY H    H   8.428 0.030 1
      619 127 55 GLY HA2  H   3.926 0.030 2
      620 127 55 GLY HA3  H   3.851 0.030 2
      621 127 55 GLY C    C 174.114 0.300 1
      622 127 55 GLY CA   C  45.845 0.300 1
      623 127 55 GLY N    N 109.940 0.300 1
      624 128 56 THR H    H   7.931 0.030 1
      625 128 56 THR HA   H   4.533 0.030 1
      626 128 56 THR HB   H   4.364 0.030 1
      627 128 56 THR HG2  H   1.250 0.030 1
      628 128 56 THR C    C 174.372 0.300 1
      629 128 56 THR CA   C  61.300 0.300 1
      630 128 56 THR CB   C  69.885 0.300 1
      631 128 56 THR CG2  C  21.264 0.300 1
      632 128 56 THR N    N 112.509 0.300 1
      633 129 57 SER H    H   8.409 0.030 1
      634 129 57 SER HA   H   4.611 0.030 1
      635 129 57 SER HB2  H   3.930 0.030 2
      636 129 57 SER HB3  H   3.963 0.030 2
      637 129 57 SER C    C 174.795 0.300 1
      638 129 57 SER CA   C  58.634 0.300 1
      639 129 57 SER CB   C  64.037 0.300 1
      640 129 57 SER N    N 117.619 0.300 1
      641 130 58 LYS H    H   8.490 0.030 1
      642 130 58 LYS HA   H   4.244 0.030 1
      643 130 58 LYS HB2  H   1.794 0.030 2
      644 130 58 LYS HB3  H   1.642 0.030 2
      645 130 58 LYS HG2  H   1.371 0.030 1
      646 130 58 LYS HG3  H   1.371 0.030 1
      647 130 58 LYS HD2  H   1.636 0.030 1
      648 130 58 LYS HD3  H   1.636 0.030 1
      649 130 58 LYS HE2  H   2.970 0.030 1
      650 130 58 LYS HE3  H   2.970 0.030 1
      651 130 58 LYS C    C 176.737 0.300 1
      652 130 58 LYS CA   C  56.554 0.300 1
      653 130 58 LYS CB   C  32.737 0.300 1
      654 130 58 LYS CG   C  24.778 0.300 1
      655 130 58 LYS CD   C  29.113 0.300 1
      656 130 58 LYS CE   C  42.164 0.300 1
      657 130 58 LYS N    N 123.804 0.300 1
      658 131 59 ARG H    H   8.405 0.030 1
      659 131 59 ARG HA   H   4.332 0.030 1
      660 131 59 ARG HB2  H   1.862 0.030 2
      661 131 59 ARG HB3  H   1.762 0.030 2
      662 131 59 ARG HG2  H   1.613 0.030 1
      663 131 59 ARG HG3  H   1.613 0.030 1
      664 131 59 ARG HD2  H   3.162 0.030 1
      665 131 59 ARG HD3  H   3.162 0.030 1
      666 131 59 ARG C    C 176.910 0.300 1
      667 131 59 ARG CA   C  56.383 0.300 1
      668 131 59 ARG CB   C  30.844 0.300 1
      669 131 59 ARG CG   C  27.163 0.300 1
      670 131 59 ARG CD   C  43.394 0.300 1
      671 131 59 ARG N    N 122.807 0.300 1
      672 132 60 GLY H    H   8.494 0.030 1
      673 132 60 GLY HA2  H   3.986 0.030 2
      674 132 60 GLY HA3  H   4.025 0.030 2
      675 132 60 GLY C    C 174.314 0.300 1
      676 132 60 GLY CA   C  45.336 0.300 1
      677 132 60 GLY N    N 110.354 0.300 1
      678 133 61 THR H    H   8.112 0.030 1
      679 133 61 THR HA   H   4.331 0.030 1
      680 133 61 THR HB   H   4.199 0.030 1
      681 133 61 THR HG2  H   1.191 0.030 1
      682 133 61 THR C    C 174.589 0.300 1
      683 133 61 THR CA   C  61.867 0.300 1
      684 133 61 THR CB   C  70.043 0.300 1
      685 133 61 THR CG2  C  21.705 0.300 1
      686 133 61 THR N    N 113.937 0.300 1
      687 134 62 LYS H    H   8.411 0.030 1
      688 134 62 LYS HA   H   4.314 0.030 1
      689 134 62 LYS HB2  H   1.811 0.030 2
      690 134 62 LYS HB3  H   1.745 0.030 2
      691 134 62 LYS HG2  H   1.419 0.030 1
      692 134 62 LYS HG3  H   1.419 0.030 1
      693 134 62 LYS HD2  H   1.664 0.030 1
      694 134 62 LYS HD3  H   1.664 0.030 1
      695 134 62 LYS HE2  H   2.978 0.030 1
      696 134 62 LYS HE3  H   2.978 0.030 1
      697 134 62 LYS C    C 176.422 0.300 1
      698 134 62 LYS CA   C  56.383 0.300 1
      699 134 62 LYS CB   C  33.164 0.300 1
      700 134 62 LYS CG   C  24.732 0.300 1
      701 134 62 LYS CD   C  29.150 0.300 1
      702 134 62 LYS CE   C  42.161 0.300 1
      703 134 62 LYS N    N 124.294 0.300 1
      704 135 63 LYS H    H   8.434 0.030 1
      705 135 63 LYS HA   H   4.256 0.030 1
      706 135 63 LYS HB2  H   1.815 0.030 2
      707 135 63 LYS HB3  H   1.728 0.030 2
      708 135 63 LYS HG2  H   1.414 0.030 1
      709 135 63 LYS HG3  H   1.414 0.030 1
      710 135 63 LYS HD2  H   1.656 0.030 1
      711 135 63 LYS HD3  H   1.656 0.030 1
      712 135 63 LYS HE2  H   2.977 0.030 1
      713 135 63 LYS HE3  H   2.977 0.030 1
      714 135 63 LYS C    C 176.289 0.300 1
      715 135 63 LYS CA   C  56.455 0.300 1
      716 135 63 LYS CB   C  33.185 0.300 1
      717 135 63 LYS CG   C  24.735 0.300 1
      718 135 63 LYS CD   C  29.141 0.300 1
      719 135 63 LYS CE   C  42.238 0.300 1
      720 135 63 LYS N    N 124.008 0.300 1
      721 136 64 ALA H    H   8.439 0.030 1
      722 136 64 ALA HA   H   4.285 0.030 1
      723 136 64 ALA HB   H   1.387 0.030 1
      724 136 64 ALA C    C 177.702 0.300 1
      725 136 64 ALA CA   C  52.550 0.300 1
      726 136 64 ALA CB   C  19.234 0.300 1
      727 136 64 ALA N    N 125.976 0.300 1
      728 137 65 GLU H    H   8.479 0.030 1
      729 137 65 GLU HA   H   4.248 0.030 1
      730 137 65 GLU HB2  H   1.909 0.030 2
      731 137 65 GLU HB3  H   2.044 0.030 2
      732 137 65 GLU HG2  H   2.267 0.030 1
      733 137 65 GLU HG3  H   2.267 0.030 1
      734 137 65 GLU C    C 176.210 0.300 1
      735 137 65 GLU CA   C  56.613 0.300 1
      736 137 65 GLU CB   C  30.376 0.300 1
      737 137 65 GLU CG   C  36.252 0.300 1
      738 137 65 GLU N    N 120.238 0.300 1
      739 138 66 ASN H    H   8.482 0.030 1
      740 138 66 ASN HA   H   4.704 0.030 1
      741 138 66 ASN HB2  H   2.736 0.030 1
      742 138 66 ASN HB3  H   2.736 0.030 1
      743 138 66 ASN C    C 174.982 0.300 1
      744 138 66 ASN CA   C  53.320 0.300 1
      745 138 66 ASN CB   C  38.889 0.300 1
      746 138 66 ASN N    N 118.983 0.300 1
      747 139 67 THR H    H   7.992 0.030 1
      748 139 67 THR HA   H   4.293 0.030 1
      749 139 67 THR HB   H   4.183 0.030 1
      750 139 67 THR HG2  H   1.120 0.030 1
      751 139 67 THR C    C 173.218 0.300 1
      752 139 67 THR CA   C  61.691 0.300 1
      753 139 67 THR CB   C  69.937 0.300 1
      754 139 67 THR CG2  C  21.512 0.300 1
      755 139 67 THR N    N 113.730 0.300 1
      756 140 68 TYR H    H   7.776 0.030 1
      757 140 68 TYR HA   H   4.394 0.030 1
      758 140 68 TYR HB2  H   2.876 0.030 2
      759 140 68 TYR HB3  H   3.079 0.030 2
      760 140 68 TYR HD1  H   7.097 0.030 1
      761 140 68 TYR HD2  H   7.097 0.030 1
      762 140 68 TYR HE1  H   6.799 0.030 1
      763 140 68 TYR HE2  H   6.799 0.030 1
      764 140 68 TYR C    C 180.437 0.300 1
      765 140 68 TYR CA   C  59.255 0.300 1
      766 140 68 TYR CB   C  39.426 0.300 1
      767 140 68 TYR CD1  C 133.372 0.300 1
      768 140 68 TYR CD2  C 133.372 0.300 1
      769 140 68 TYR CE1  C 118.039 0.300 1
      770 140 68 TYR CE2  C 118.039 0.300 1
      771 140 68 TYR N    N 126.895 0.300 1

   stop_

save_