data_10143

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

save_entry_information
   _Saveframe_category      entry_information

   _Entry_title            
;
Solution structure of the 14th filamin domain from human Filamin-B 
;
   _BMRB_accession_number   10143
   _BMRB_flat_file_name     bmr10143.str
   _Entry_type              new
   _Submission_date         2007-12-04
   _Accession_date          2007-12-05
   _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 Tomizawa T. . . 
      2 Koshiba  S. . . 
      3 Watanabe S. . . 
      4 Harada   T. . . 
      5 Kigawa   T. . . 
      6 Yokoyama S. . . 

   stop_

   loop_
      _Saveframe_category_type
      _Saveframe_category_type_count

      assigned_chemical_shifts 1 

   stop_

   loop_
      _Data_type
      _Data_type_count

      "1H chemical shifts"  611 
      "13C chemical shifts" 477 
      "15N chemical shifts" 106 

   stop_

   loop_
      _Revision_date
      _Revision_keyword
      _Revision_author
      _Revision_detail

      2008-12-10 original author . 

   stop_

save_


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

save_citation_1
   _Saveframe_category           entry_citation

   _Citation_full                .
   _Citation_title              'Solution structure of the 14th filamin domain from human Filamin-B'
   _Citation_status             'in preparation'
   _Citation_type                journal
   _CAS_abstract_code            .
   _MEDLINE_UI_code              .
   _PubMed_ID                    ?

   loop_
      _Author_ordinal
      _Author_family_name
      _Author_given_name
      _Author_middle_initials
      _Author_family_title

      1 Tomizawa T. . . 
      2 Koshiba  S. . . 
      3 Watanabe S. . . 
      4 Harada   T. . . 
      5 Kigawa   T. . . 
      6 Yokoyama S. . . 

   stop_

   _Journal_abbreviation        'Not known'
   _Journal_volume               .
   _Journal_issue                .
   _Journal_CSD                  .
   _Book_chapter_title           .
   _Book_volume                  .
   _Book_series                  .
   _Book_ISBN                    .
   _Conference_state_province    .
   _Conference_abstract_number   .
   _Page_first                   .
   _Page_last                    .
   _Year                         .
   _Details                      .

save_


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

save_assembly
   _Saveframe_category         molecular_system

   _Mol_system_name            Filamin-B
   _Enzyme_commission_number   .

   loop_
      _Mol_system_component_name
      _Mol_label

      Filamin-B $entity_1 

   stop_

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

save_


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

save_entity_1
   _Saveframe_category                          monomeric_polymer

   _Mol_type                                    polymer
   _Mol_polymer_class                           protein
   _Name_common                                'filamin domain'
   _Molecular_mass                              .
   _Mol_thiol_state                            'all free'
   _Details                                     .

   	##############################
   	#  Polymer residue sequence  #
   	##############################
   
      _Residue_count                               119
   _Mol_residue_sequence                       
;
GSSGSSGRSPFKVKVLPTYD
ASKVTASGPGLSSYGVPASL
PVDFAIDARDAGEGLLAVQI
TDQEGKPKRAIVHDNKDGTY
AVTYIPDKTGRYMIGVTYGG
DDIPLSPYRIRATQTGDAS
;

   loop_
      _Residue_seq_code
      _Residue_label

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

   stop_

   _Sequence_homology_query_date                .
   _Sequence_homology_query_revised_last_date   2015-06-23

   loop_
      _Database_name
      _Database_accession_code
      _Database_entry_mol_name
      _Sequence_query_to_submitted_percentage
      _Sequence_subject_length
      _Sequence_identity
      _Sequence_positive
      _Sequence_homology_expectation_value

      PDB 2E9J "Solution Structure Of The 14th Filamin Domain From Human Filamin-B" 100.00 119 100.00 100.00 1.08e-76 

   stop_

save_


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

save_natural_source
   _Saveframe_category   natural_source


   loop_
      _Mol_label
      _Organism_name_common
      _NCBI_taxonomy_ID
      _Superkingdom
      _Kingdom
      _Genus
      _Species

      $entity_1 human 9606 Eukaryota Metazoa Homo sapiens 

   stop_

save_


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

save_experimental_source
   _Saveframe_category   experimental_source


   loop_
      _Mol_label
      _Production_method
      _Host_organism_name_common
      _Genus
      _Species
      _Strain
      _Vector_type
      _Vector_name

      $entity_1 'cell free synthesis' . . . . plasmid P060619-05 

   stop_

save_


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

save_sample_1
   _Saveframe_category   sample

   _Sample_type          solution
   _Details              .

   loop_
      _Mol_label
      _Concentration_value
      _Concentration_value_units
      _Isotopic_labeling

      $entity_1     1.19 mM '[U-13C; U-15N]' 
       d-Tris-HCl  20    mM  .               
       NaCl       100    mM  .               
       d-DTT        1    mM  .               
       NaN3         0.02 %   .               
       H2O         90    %   .               
       D2O         10    %   .               

   stop_

save_


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

save_software_1
   _Saveframe_category   software

   _Name                 topspin
   _Version              1.3

   loop_
      _Vendor
      _Address
      _Electronic_address

      Bruker . . 

   stop_

   loop_
      _Task

      collection 

   stop_

   _Details              .

save_


save_software_2
   _Saveframe_category   software

   _Name                 NMRPipe
   _Version              20060524

   loop_
      _Vendor
      _Address
      _Electronic_address

      'Delaglio, F.' . . 

   stop_

   loop_
      _Task

      processing 

   stop_

   _Details              .

save_


save_software_3
   _Saveframe_category   software

   _Name                 NMRview
   _Version              5.0.4

   loop_
      _Vendor
      _Address
      _Electronic_address

      'Johnson, B.A.' . . 

   stop_

   loop_
      _Task

      'data analysis' 

   stop_

   _Details              .

save_


save_software_4
   _Saveframe_category   software

   _Name                 kujira
   _Version              0.9747

   loop_
      _Vendor
      _Address
      _Electronic_address

      'Kobayashi, N.' . . 

   stop_

   loop_
      _Task

      'data analysis' 

   stop_

   _Details              .

save_


save_software_5
   _Saveframe_category   software

   _Name                 CYANA
   _Version              2.0.17

   loop_
      _Vendor
      _Address
      _Electronic_address

      'Guntert, P.' . . 

   stop_

   loop_
      _Task

      'structure solution' 
       refinement          

   stop_

   _Details              .

save_


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

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

save_spectrometer_1
   _Saveframe_category   NMR_spectrometer

   _Manufacturer         Bruker
   _Model               'AVANCE II'
   _Field_strength       900
   _Details              .

save_


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

save_3D_13C-separated_NOESY_1
   _Saveframe_category   NMR_applied_experiment

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

save_


save_3D_15N-separated_NOESY_2
   _Saveframe_category   NMR_applied_experiment

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

save_


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

save_condition_1
   _Saveframe_category   sample_conditions

   _Details              .

   loop_
      _Variable_type
      _Variable_value
      _Variable_value_error
      _Variable_value_units

      'ionic strength' 120   0.1   mM  
       pH                7.0 0.05  pH  
       pressure          1   0.001 atm 
       temperature     296   0.1   K   

   stop_

save_


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

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

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

save_reference_1
   _Saveframe_category   chemical_shift_reference

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

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

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

   stop_

save_


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

###################################################################
#       Chemical Shift Ambiguity Index Value Definitions          #
#                                                                 #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains.                              #
#                                                                 #
#   Index Value            Definition                             #
#                                                                 #
#      1             Unique (including isolated methyl protons,   #
#                         geminal atoms, and geminal methyl       #
#                         groups with identical chemical shifts)  #
#                         (e.g. ILE HD11, HD12, HD13 protons)     #
#      2             Ambiguity of geminal atoms or geminal methyl #
#                         proton groups (e.g. ASP HB2 and HB3     #
#                         protons, LEU CD1 and CD2 carbons, or    #
#                         LEU HD11, HD12, HD13 and HD21, HD22,    #
#                         HD23 methyl protons)                    #
#      3             Aromatic atoms on opposite sides of          #
#                         symmetrical rings (e.g. TYR HE1 and HE2 #
#                         protons)                                #
#      4             Intraresidue ambiguities (e.g. LYS HG and    #
#                         HD protons or TRP HZ2 and HZ3 protons)  #
#      5             Interresidue ambiguities (LYS 12 vs. LYS 27) #
#      6             Intermolecular ambiguities (e.g. ASP 31 CA   #
#                         in monomer 1 and ASP 31 CA in monomer 2 #
#                         of an asymmetrical homodimer, duplex    #
#                         DNA assignments, or other assignments   #
#                         that may apply to atoms in one or more  #
#                         molecule in the molecular assembly)     #
#      9             Ambiguous, specific ambiguity not defined    #
#                                                                 #
###################################################################
save_chemical_shift_1
   _Saveframe_category               assigned_chemical_shifts

   _Details                          .

   loop_
      _Experiment_label

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

   stop_

   loop_
      _Sample_label

      $sample_1 

   stop_

   _Sample_conditions_label         $condition_1
   _Chem_shift_reference_set_label  $reference_1
   _Mol_system_component_name        Filamin-B
   _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   9   9 SER HA   H   4.733 0.030 1 
         2  10  10 PRO CA   C  63.335 0.300 1 
         3  10  10 PRO HA   H   4.399 0.030 1 
         4  10  10 PRO CB   C  31.938 0.300 1 
         5  10  10 PRO HB3  H   1.718 0.030 2 
         6  10  10 PRO CG   C  27.071 0.300 1 
         7  10  10 PRO HG3  H   1.768 0.030 1 
         8  10  10 PRO CD   C  50.767 0.300 1 
         9  10  10 PRO HD3  H   3.764 0.030 2 
        10  10  10 PRO C    C 176.442 0.300 1 
        11  10  10 PRO HB2  H   2.184 0.030 2 
        12  10  10 PRO HD2  H   3.652 0.030 2 
        13  10  10 PRO HG2  H   1.768 0.030 1 
        14  11  11 PHE N    N 119.801 0.300 1 
        15  11  11 PHE H    H   8.036 0.030 1 
        16  11  11 PHE CA   C  57.505 0.300 1 
        17  11  11 PHE HA   H   4.606 0.030 1 
        18  11  11 PHE CB   C  39.592 0.300 1 
        19  11  11 PHE HB3  H   2.986 0.030 2 
        20  11  11 PHE CD1  C 131.689 0.300 1 
        21  11  11 PHE HD1  H   7.240 0.030 1 
        22  11  11 PHE CD2  C 131.689 0.300 1 
        23  11  11 PHE HD2  H   7.240 0.030 1 
        24  11  11 PHE CE1  C 131.556 0.300 1 
        25  11  11 PHE HE1  H   7.364 0.030 1 
        26  11  11 PHE CE2  C 131.556 0.300 1 
        27  11  11 PHE HE2  H   7.364 0.030 1 
        28  11  11 PHE CZ   C 129.933 0.300 1 
        29  11  11 PHE HZ   H   7.309 0.030 1 
        30  11  11 PHE C    C 175.401 0.300 1 
        31  11  11 PHE HB2  H   3.128 0.030 2 
        32  12  12 LYS N    N 123.563 0.300 1 
        33  12  12 LYS H    H   8.112 0.030 1 
        34  12  12 LYS CA   C  56.175 0.300 1 
        35  12  12 LYS HA   H   4.322 0.030 1 
        36  12  12 LYS CB   C  33.352 0.300 1 
        37  12  12 LYS HB3  H   1.766 0.030 2 
        38  12  12 LYS CG   C  24.785 0.300 1 
        39  12  12 LYS HG3  H   1.349 0.030 1 
        40  12  12 LYS CD   C  29.189 0.300 1 
        41  12  12 LYS HD3  H   1.681 0.030 1 
        42  12  12 LYS CE   C  42.092 0.300 1 
        43  12  12 LYS HE3  H   2.997 0.030 1 
        44  12  12 LYS C    C 175.802 0.300 1 
        45  12  12 LYS HB2  H   1.682 0.030 2 
        46  12  12 LYS HD2  H   1.681 0.030 1 
        47  12  12 LYS HE2  H   2.997 0.030 1 
        48  12  12 LYS HG2  H   1.349 0.030 1 
        49  13  13 VAL N    N 122.071 0.300 1 
        50  13  13 VAL H    H   8.080 0.030 1 
        51  13  13 VAL CA   C  62.280 0.300 1 
        52  13  13 VAL HA   H   4.036 0.030 1 
        53  13  13 VAL CB   C  32.895 0.300 1 
        54  13  13 VAL HB   H   2.031 0.030 1 
        55  13  13 VAL CG1  C  20.749 0.300 1 
        56  13  13 VAL HG1  H   0.956 0.030 1 
        57  13  13 VAL CG2  C  20.749 0.300 1 
        58  13  13 VAL HG2  H   0.956 0.030 1 
        59  13  13 VAL C    C 175.814 0.300 1 
        60  14  14 LYS N    N 125.874 0.300 1 
        61  14  14 LYS H    H   8.392 0.030 1 
        62  14  14 LYS CA   C  56.250 0.300 1 
        63  14  14 LYS HA   H   4.322 0.030 1 
        64  14  14 LYS CB   C  33.193 0.300 1 
        65  14  14 LYS HB3  H   1.790 0.030 2 
        66  14  14 LYS CG   C  25.068 0.300 1 
        67  14  14 LYS CD   C  29.189 0.300 1 
        68  14  14 LYS CE   C  42.048 0.300 1 
        69  14  14 LYS C    C 175.973 0.300 1 
        70  14  14 LYS HB2  H   1.731 0.030 2 
        71  15  15 VAL N    N 123.129 0.300 1 
        72  15  15 VAL H    H   8.204 0.030 1 
        73  15  15 VAL CA   C  62.033 0.300 1 
        74  15  15 VAL HA   H   4.100 0.030 1 
        75  15  15 VAL CB   C  32.858 0.300 1 
        76  15  15 VAL HB   H   2.012 0.030 1 
        77  15  15 VAL CG1  C  20.656 0.300 2 
        78  15  15 VAL HG1  H   0.917 0.030 1 
        79  15  15 VAL CG2  C  21.218 0.300 2 
        80  15  15 VAL HG2  H   0.916 0.030 1 
        81  15  15 VAL C    C 175.717 0.300 1 
        82  16  16 LEU N    N 127.971 0.300 1 
        83  16  16 LEU H    H   8.378 0.030 1 
        84  16  16 LEU CA   C  52.885 0.300 1 
        85  16  16 LEU HA   H   4.624 0.030 1 
        86  16  16 LEU CB   C  41.706 0.300 1 
        87  16  16 LEU HB3  H   1.571 0.030 2 
        88  16  16 LEU CG   C  27.123 0.300 1 
        89  16  16 LEU HG   H   1.673 0.030 1 
        90  16  16 LEU CD1  C  25.159 0.300 2 
        91  16  16 LEU HD1  H   0.939 0.030 1 
        92  16  16 LEU CD2  C  23.370 0.300 2 
        93  16  16 LEU HD2  H   0.904 0.030 1 
        94  16  16 LEU C    C 175.092 0.300 1 
        95  16  16 LEU HB2  H   1.603 0.030 2 
        96  17  17 PRO CA   C  62.704 0.300 1 
        97  17  17 PRO HA   H   4.556 0.030 1 
        98  17  17 PRO CB   C  32.293 0.300 1 
        99  17  17 PRO HB3  H   1.823 0.030 2 
       100  17  17 PRO CG   C  27.458 0.300 1 
       101  17  17 PRO HG3  H   2.001 0.030 1 
       102  17  17 PRO CD   C  50.575 0.300 1 
       103  17  17 PRO HD3  H   3.841 0.030 2 
       104  17  17 PRO C    C 177.319 0.300 1 
       105  17  17 PRO HB2  H   2.181 0.030 2 
       106  17  17 PRO HD2  H   3.648 0.030 2 
       107  17  17 PRO HG2  H   2.001 0.030 1 
       108  18  18 THR N    N 112.726 0.300 1 
       109  18  18 THR H    H   8.497 0.030 1 
       110  18  18 THR CA   C  62.335 0.300 1 
       111  18  18 THR HA   H   4.352 0.030 1 
       112  18  18 THR CB   C  69.700 0.300 1 
       113  18  18 THR HB   H   4.505 0.030 1 
       114  18  18 THR CG2  C  21.691 0.300 1 
       115  18  18 THR HG2  H   1.297 0.030 1 
       116  18  18 THR C    C 173.418 0.300 1 
       117  19  19 TYR N    N 118.883 0.300 1 
       118  19  19 TYR H    H   7.244 0.030 1 
       119  19  19 TYR CA   C  55.270 0.300 1 
       120  19  19 TYR HA   H   5.404 0.030 1 
       121  19  19 TYR CB   C  40.974 0.300 1 
       122  19  19 TYR HB3  H   2.985 0.030 2 
       123  19  19 TYR CD1  C 133.048 0.300 1 
       124  19  19 TYR HD1  H   7.004 0.030 1 
       125  19  19 TYR CD2  C 133.048 0.300 1 
       126  19  19 TYR HD2  H   7.004 0.030 1 
       127  19  19 TYR CE1  C 119.001 0.300 1 
       128  19  19 TYR HE1  H   6.997 0.030 1 
       129  19  19 TYR CE2  C 119.001 0.300 1 
       130  19  19 TYR HE2  H   6.997 0.030 1 
       131  19  19 TYR C    C 174.318 0.300 1 
       132  19  19 TYR HB2  H   2.804 0.030 2 
       133  20  20 ASP N    N 118.193 0.300 1 
       134  20  20 ASP H    H   8.686 0.030 1 
       135  20  20 ASP CA   C  53.226 0.300 1 
       136  20  20 ASP HA   H   4.539 0.030 1 
       137  20  20 ASP CB   C  41.490 0.300 1 
       138  20  20 ASP HB3  H   2.442 0.030 2 
       139  20  20 ASP C    C 176.349 0.300 1 
       140  20  20 ASP HB2  H   2.760 0.030 2 
       141  21  21 ALA N    N 127.255 0.300 1 
       142  21  21 ALA H    H   9.404 0.030 1 
       143  21  21 ALA CA   C  55.157 0.300 1 
       144  21  21 ALA HA   H   4.204 0.030 1 
       145  21  21 ALA CB   C  19.890 0.300 1 
       146  21  21 ALA HB   H   1.828 0.030 1 
       147  21  21 ALA C    C 178.113 0.300 1 
       148  22  22 SER N    N 110.959 0.300 1 
       149  22  22 SER H    H   8.397 0.030 1 
       150  22  22 SER CA   C  60.794 0.300 1 
       151  22  22 SER HA   H   4.363 0.030 1 
       152  22  22 SER CB   C  62.850 0.300 1 
       153  22  22 SER HB3  H   4.053 0.030 2 
       154  22  22 SER C    C 175.425 0.300 1 
       155  22  22 SER HB2  H   3.982 0.030 2 
       156  23  23 LYS N    N 119.671 0.300 1 
       157  23  23 LYS H    H   7.366 0.030 1 
       158  23  23 LYS CA   C  54.818 0.300 1 
       159  23  23 LYS HA   H   4.368 0.030 1 
       160  23  23 LYS CB   C  33.063 0.300 1 
       161  23  23 LYS HB3  H   1.873 0.030 2 
       162  23  23 LYS CG   C  24.985 0.300 1 
       163  23  23 LYS HG3  H   1.444 0.030 2 
       164  23  23 LYS CD   C  28.391 0.300 1 
       165  23  23 LYS HD3  H   1.625 0.030 2 
       166  23  23 LYS CE   C  42.295 0.300 1 
       167  23  23 LYS HE3  H   2.964 0.030 1 
       168  23  23 LYS C    C 176.544 0.300 1 
       169  23  23 LYS HB2  H   1.546 0.030 2 
       170  23  23 LYS HD2  H   1.576 0.030 2 
       171  23  23 LYS HE2  H   2.964 0.030 1 
       172  23  23 LYS HG2  H   1.229 0.030 2 
       173  24  24 VAL N    N 123.377 0.300 1 
       174  24  24 VAL H    H   7.392 0.030 1 
       175  24  24 VAL CA   C  62.722 0.300 1 
       176  24  24 VAL HA   H   4.184 0.030 1 
       177  24  24 VAL CB   C  31.780 0.300 1 
       178  24  24 VAL HB   H   2.048 0.030 1 
       179  24  24 VAL CG1  C  23.337 0.300 2 
       180  24  24 VAL HG1  H   0.713 0.030 1 
       181  24  24 VAL CG2  C  23.450 0.300 2 
       182  24  24 VAL HG2  H   0.449 0.030 1 
       183  24  24 VAL C    C 175.644 0.300 1 
       184  25  25 THR N    N 117.441 0.300 1 
       185  25  25 THR H    H   8.384 0.030 1 
       186  25  25 THR CA   C  59.858 0.300 1 
       187  25  25 THR HA   H   4.784 0.030 1 
       188  25  25 THR CB   C  71.687 0.300 1 
       189  25  25 THR HB   H   4.283 0.030 1 
       190  25  25 THR CG2  C  21.520 0.300 1 
       191  25  25 THR HG2  H   1.202 0.030 1 
       192  25  25 THR C    C 172.360 0.300 1 
       193  26  26 ALA N    N 123.956 0.300 1 
       194  26  26 ALA H    H   8.440 0.030 1 
       195  26  26 ALA CA   C  51.022 0.300 1 
       196  26  26 ALA HA   H   5.575 0.030 1 
       197  26  26 ALA CB   C  22.576 0.300 1 
       198  26  26 ALA HB   H   1.268 0.030 1 
       199  26  26 ALA C    C 176.301 0.300 1 
       200  27  27 SER N    N 114.430 0.300 1 
       201  27  27 SER H    H   9.021 0.030 1 
       202  27  27 SER CA   C  57.771 0.300 1 
       203  27  27 SER HA   H   4.745 0.030 1 
       204  27  27 SER CB   C  65.911 0.300 1 
       205  27  27 SER HB3  H   3.921 0.030 1 
       206  27  27 SER C    C 172.798 0.300 1 
       207  27  27 SER HB2  H   3.921 0.030 1 
       208  28  28 GLY N    N 108.618 0.300 1 
       209  28  28 GLY H    H   8.516 0.030 1 
       210  28  28 GLY CA   C  44.966 0.300 1 
       211  28  28 GLY HA3  H   4.102 0.030 2 
       212  28  28 GLY C    C 173.392 0.300 1 
       213  28  28 GLY HA2  H   5.026 0.030 2 
       214  29  29 PRO CA   C  65.446 0.300 1 
       215  29  29 PRO HA   H   4.399 0.030 1 
       216  29  29 PRO CB   C  31.739 0.300 1 
       217  29  29 PRO HB3  H   2.092 0.030 2 
       218  29  29 PRO CG   C  27.833 0.300 1 
       219  29  29 PRO HG3  H   2.450 0.030 2 
       220  29  29 PRO CD   C  50.265 0.300 1 
       221  29  29 PRO HD3  H   3.951 0.030 2 
       222  29  29 PRO C    C 179.804 0.300 1 
       223  29  29 PRO HB2  H   2.458 0.030 2 
       224  29  29 PRO HD2  H   3.691 0.030 2 
       225  29  29 PRO HG2  H   2.150 0.030 2 
       226  30  30 GLY N    N 103.199 0.300 1 
       227  30  30 GLY H    H   9.156 0.030 1 
       228  30  30 GLY CA   C  46.458 0.300 1 
       229  30  30 GLY HA3  H   3.331 0.030 2 
       230  30  30 GLY C    C 171.694 0.300 1 
       231  30  30 GLY HA2  H   4.062 0.030 2 
       232  31  31 LEU N    N 116.112 0.300 1 
       233  31  31 LEU H    H   7.351 0.030 1 
       234  31  31 LEU CA   C  52.607 0.300 1 
       235  31  31 LEU HA   H   4.269 0.030 1 
       236  31  31 LEU CB   C  41.265 0.300 1 
       237  31  31 LEU HB3  H   1.181 0.030 2 
       238  31  31 LEU CG   C  25.581 0.300 1 
       239  31  31 LEU HG   H   0.181 0.030 1 
       240  31  31 LEU CD1  C  25.260 0.300 2 
       241  31  31 LEU HD1  H  -0.214 0.030 1 
       242  31  31 LEU CD2  C  19.874 0.300 2 
       243  31  31 LEU HD2  H  -0.860 0.030 1 
       244  31  31 LEU C    C 176.751 0.300 1 
       245  31  31 LEU HB2  H   1.089 0.030 2 
       246  32  32 SER N    N 114.056 0.300 1 
       247  32  32 SER H    H   6.986 0.030 1 
       248  32  32 SER CA   C  58.750 0.300 1 
       249  32  32 SER HA   H   4.268 0.030 1 
       250  32  32 SER CB   C  64.571 0.300 1 
       251  32  32 SER HB3  H   3.822 0.030 2 
       252  32  32 SER C    C 176.483 0.300 1 
       253  32  32 SER HB2  H   4.163 0.030 2 
       254  33  33 SER N    N 123.249 0.300 1 
       255  33  33 SER H    H   8.887 0.030 1 
       256  33  33 SER CA   C  60.176 0.300 1 
       257  33  33 SER HA   H   4.409 0.030 1 
       258  33  33 SER CB   C  63.098 0.300 1 
       259  33  33 SER HB3  H   3.895 0.030 2 
       260  33  33 SER C    C 174.922 0.300 1 
       261  33  33 SER HB2  H   3.829 0.030 2 
       262  34  34 TYR N    N 120.641 0.300 1 
       263  34  34 TYR H    H   8.225 0.030 1 
       264  34  34 TYR CA   C  58.266 0.300 1 
       265  34  34 TYR HA   H   4.622 0.030 1 
       266  34  34 TYR CB   C  38.478 0.300 1 
       267  34  34 TYR HB3  H   2.850 0.030 2 
       268  34  34 TYR CD1  C 133.097 0.300 1 
       269  34  34 TYR HD1  H   7.169 0.030 1 
       270  34  34 TYR CD2  C 133.097 0.300 1 
       271  34  34 TYR HD2  H   7.169 0.030 1 
       272  34  34 TYR CE1  C 118.308 0.300 1 
       273  34  34 TYR HE1  H   6.869 0.030 1 
       274  34  34 TYR CE2  C 118.308 0.300 1 
       275  34  34 TYR HE2  H   6.869 0.030 1 
       276  34  34 TYR C    C 175.881 0.300 1 
       277  34  34 TYR HB2  H   3.316 0.030 2 
       278  35  35 GLY N    N 109.142 0.300 1 
       279  35  35 GLY H    H   7.416 0.030 1 
       280  35  35 GLY CA   C  44.524 0.300 1 
       281  35  35 GLY HA3  H   4.411 0.030 2 
       282  35  35 GLY C    C 172.956 0.300 1 
       283  35  35 GLY HA2  H   4.324 0.030 2 
       284  36  36 VAL N    N 116.841 0.300 1 
       285  36  36 VAL H    H   8.617 0.030 1 
       286  36  36 VAL CA   C  57.700 0.300 1 
       287  36  36 VAL HA   H   4.880 0.030 1 
       288  36  36 VAL CB   C  33.474 0.300 1 
       289  36  36 VAL HB   H   2.060 0.030 1 
       290  36  36 VAL CG1  C  22.601 0.300 2 
       291  36  36 VAL HG1  H   0.984 0.030 1 
       292  36  36 VAL CG2  C  19.600 0.300 2 
       293  36  36 VAL HG2  H   0.833 0.030 1 
       294  36  36 VAL C    C 173.489 0.300 1 
       295  37  37 PRO CA   C  62.200 0.300 1 
       296  37  37 PRO HA   H   4.646 0.030 1 
       297  37  37 PRO CB   C  31.876 0.300 1 
       298  37  37 PRO HB3  H   2.197 0.030 2 
       299  37  37 PRO CG   C  27.866 0.300 1 
       300  37  37 PRO HG3  H   2.149 0.030 2 
       301  37  37 PRO CD   C  50.435 0.300 1 
       302  37  37 PRO HD3  H   3.557 0.030 2 
       303  37  37 PRO C    C 177.148 0.300 1 
       304  37  37 PRO HB2  H   1.858 0.030 2 
       305  37  37 PRO HD2  H   3.820 0.030 2 
       306  37  37 PRO HG2  H   1.946 0.030 2 
       307  38  38 ALA N    N 124.330 0.300 1 
       308  38  38 ALA H    H   8.591 0.030 1 
       309  38  38 ALA CA   C  52.606 0.300 1 
       310  38  38 ALA HA   H   4.189 0.030 1 
       311  38  38 ALA CB   C  18.928 0.300 1 
       312  38  38 ALA HB   H   1.163 0.030 1 
       313  38  38 ALA C    C 178.418 0.300 1 
       314  39  39 SER N    N 109.435 0.300 1 
       315  39  39 SER H    H   8.687 0.030 1 
       316  39  39 SER CA   C  61.147 0.300 1 
       317  39  39 SER HA   H   3.770 0.030 1 
       318  39  39 SER CB   C  62.322 0.300 1 
       319  39  39 SER HB3  H   4.007 0.030 2 
       320  39  39 SER C    C 172.372 0.300 1 
       321  39  39 SER HB2  H   4.138 0.030 2 
       322  40  40 LEU N    N 121.668 0.300 1 
       323  40  40 LEU H    H   6.981 0.030 1 
       324  40  40 LEU CA   C  51.707 0.300 1 
       325  40  40 LEU HA   H   4.890 0.030 1 
       326  40  40 LEU CB   C  43.441 0.300 1 
       327  40  40 LEU HB3  H   1.506 0.030 2 
       328  40  40 LEU CG   C  26.886 0.300 1 
       329  40  40 LEU HG   H   1.551 0.030 1 
       330  40  40 LEU CD1  C  25.387 0.300 2 
       331  40  40 LEU HD1  H   0.880 0.030 1 
       332  40  40 LEU CD2  C  23.298 0.300 2 
       333  40  40 LEU HD2  H   0.908 0.030 1 
       334  40  40 LEU C    C 173.635 0.300 1 
       335  40  40 LEU HB2  H   1.433 0.030 2 
       336  41  41 PRO CA   C  62.683 0.300 1 
       337  41  41 PRO HA   H   4.490 0.030 1 
       338  41  41 PRO CB   C  31.415 0.300 1 
       339  41  41 PRO HB3  H   1.898 0.030 2 
       340  41  41 PRO CG   C  27.535 0.300 1 
       341  41  41 PRO HG3  H   1.874 0.030 2 
       342  41  41 PRO CD   C  50.081 0.300 1 
       343  41  41 PRO HD3  H   3.740 0.030 2 
       344  41  41 PRO C    C 175.540 0.300 1 
       345  41  41 PRO HB2  H   1.795 0.030 2 
       346  41  41 PRO HD2  H   3.598 0.030 2 
       347  41  41 PRO HG2  H   2.059 0.030 2 
       348  42  42 VAL N    N 124.505 0.300 1 
       349  42  42 VAL H    H   8.917 0.030 1 
       350  42  42 VAL CA   C  60.282 0.300 1 
       351  42  42 VAL HA   H   4.408 0.030 1 
       352  42  42 VAL CB   C  34.522 0.300 1 
       353  42  42 VAL HB   H   1.944 0.030 1 
       354  42  42 VAL CG1  C  18.900 0.300 2 
       355  42  42 VAL HG1  H   0.281 0.030 1 
       356  42  42 VAL CG2  C  21.771 0.300 2 
       357  42  42 VAL HG2  H   0.864 0.030 1 
       358  42  42 VAL C    C 171.180 0.300 1 
       359  43  43 ASP N    N 121.538 0.300 1 
       360  43  43 ASP H    H   7.549 0.030 1 
       361  43  43 ASP CA   C  51.968 0.300 1 
       362  43  43 ASP HA   H   6.324 0.030 1 
       363  43  43 ASP CB   C  44.949 0.300 1 
       364  43  43 ASP HB3  H   2.614 0.030 2 
       365  43  43 ASP C    C 177.711 0.300 1 
       366  43  43 ASP HB2  H   2.535 0.030 2 
       367  44  44 PHE N    N 112.517 0.300 1 
       368  44  44 PHE H    H   9.044 0.030 1 
       369  44  44 PHE CA   C  57.658 0.300 1 
       370  44  44 PHE HA   H   5.069 0.030 1 
       371  44  44 PHE CB   C  41.220 0.300 1 
       372  44  44 PHE HB3  H   2.624 0.030 2 
       373  44  44 PHE CD1  C 132.687 0.300 1 
       374  44  44 PHE HD1  H   6.858 0.030 1 
       375  44  44 PHE CD2  C 132.687 0.300 1 
       376  44  44 PHE HD2  H   6.858 0.030 1 
       377  44  44 PHE CE1  C 130.106 0.300 1 
       378  44  44 PHE HE1  H   6.873 0.030 1 
       379  44  44 PHE CE2  C 130.106 0.300 1 
       380  44  44 PHE HE2  H   6.873 0.030 1 
       381  44  44 PHE CZ   C 128.661 0.300 1 
       382  44  44 PHE HZ   H   6.711 0.030 1 
       383  44  44 PHE C    C 171.679 0.300 1 
       384  44  44 PHE HB2  H   3.112 0.030 2 
       385  45  45 ALA N    N 123.935 0.300 1 
       386  45  45 ALA H    H   9.468 0.030 1 
       387  45  45 ALA CA   C  50.855 0.300 1 
       388  45  45 ALA HA   H   5.379 0.030 1 
       389  45  45 ALA CB   C  22.496 0.300 1 
       390  45  45 ALA HB   H   1.519 0.030 1 
       391  45  45 ALA C    C 176.715 0.300 1 
       392  46  46 ILE N    N 119.530 0.300 1 
       393  46  46 ILE H    H   8.686 0.030 1 
       394  46  46 ILE CA   C  59.561 0.300 1 
       395  46  46 ILE HA   H   4.863 0.030 1 
       396  46  46 ILE CB   C  41.370 0.300 1 
       397  46  46 ILE HB   H   1.750 0.030 1 
       398  46  46 ILE CG1  C  27.340 0.300 1 
       399  46  46 ILE HG13 H   1.161 0.030 2 
       400  46  46 ILE CG2  C  18.066 0.300 1 
       401  46  46 ILE HG2  H   0.811 0.030 1 
       402  46  46 ILE CD1  C  15.390 0.300 1 
       403  46  46 ILE HD1  H   0.850 0.030 1 
       404  46  46 ILE C    C 174.379 0.300 1 
       405  46  46 ILE HG12 H   1.541 0.030 2 
       406  47  47 ASP N    N 127.143 0.300 1 
       407  47  47 ASP H    H   9.281 0.030 1 
       408  47  47 ASP CA   C  53.297 0.300 1 
       409  47  47 ASP HA   H   4.976 0.030 1 
       410  47  47 ASP CB   C  41.371 0.300 1 
       411  47  47 ASP HB3  H   2.461 0.030 2 
       412  47  47 ASP C    C 174.962 0.300 1 
       413  47  47 ASP HB2  H   3.350 0.030 2 
       414  48  48 ALA N    N 129.371 0.300 1 
       415  48  48 ALA H    H   9.078 0.030 1 
       416  48  48 ALA CA   C  50.554 0.300 1 
       417  48  48 ALA HA   H   4.641 0.030 1 
       418  48  48 ALA CB   C  19.699 0.300 1 
       419  48  48 ALA HB   H   1.220 0.030 1 
       420  48  48 ALA C    C 179.317 0.300 1 
       421  49  49 ARG N    N 122.060 0.300 1 
       422  49  49 ARG H    H   8.590 0.030 1 
       423  49  49 ARG CA   C  60.964 0.300 1 
       424  49  49 ARG HA   H   3.987 0.030 1 
       425  49  49 ARG CB   C  30.654 0.300 1 
       426  49  49 ARG HB3  H   2.037 0.030 2 
       427  49  49 ARG CG   C  28.033 0.300 1 
       428  49  49 ARG HG3  H   2.226 0.030 2 
       429  49  49 ARG CD   C  43.873 0.300 1 
       430  49  49 ARG HD3  H   3.258 0.030 2 
       431  49  49 ARG NE   N  84.672 0.300 1 
       432  49  49 ARG HE   H   7.814 0.030 1 
       433  49  49 ARG C    C 178.077 0.300 1 
       434  49  49 ARG HB2  H   1.866 0.030 2 
       435  49  49 ARG HD2  H   3.173 0.030 2 
       436  49  49 ARG HG2  H   1.788 0.030 2 
       437  50  50 ASP N    N 116.664 0.300 1 
       438  50  50 ASP H    H   8.794 0.030 1 
       439  50  50 ASP CA   C  53.827 0.300 1 
       440  50  50 ASP HA   H   5.040 0.030 1 
       441  50  50 ASP CB   C  41.595 0.300 1 
       442  50  50 ASP HB3  H   2.404 0.030 2 
       443  50  50 ASP C    C 175.754 0.300 1 
       444  50  50 ASP HB2  H   2.884 0.030 2 
       445  51  51 ALA N    N 121.173 0.300 1 
       446  51  51 ALA H    H   7.406 0.030 1 
       447  51  51 ALA CA   C  52.147 0.300 1 
       448  51  51 ALA HA   H   4.414 0.030 1 
       449  51  51 ALA CB   C  23.427 0.300 1 
       450  51  51 ALA HB   H   1.116 0.030 1 
       451  51  51 ALA C    C 176.763 0.300 1 
       452  52  52 GLY N    N 108.187 0.300 1 
       453  52  52 GLY H    H   8.521 0.030 1 
       454  52  52 GLY CA   C  45.210 0.300 1 
       455  52  52 GLY HA3  H   3.859 0.030 2 
       456  52  52 GLY C    C 175.060 0.300 1 
       457  52  52 GLY HA2  H   4.492 0.030 2 
       458  53  53 GLU N    N 124.810 0.300 1 
       459  53  53 GLU H    H   8.643 0.030 1 
       460  53  53 GLU CA   C  56.352 0.300 1 
       461  53  53 GLU HA   H   4.663 0.030 1 
       462  53  53 GLU CB   C  31.164 0.300 1 
       463  53  53 GLU HB3  H   1.964 0.030 1 
       464  53  53 GLU CG   C  36.021 0.300 1 
       465  53  53 GLU HG3  H   2.143 0.030 2 
       466  53  53 GLU C    C 173.491 0.300 1 
       467  53  53 GLU HB2  H   1.964 0.030 1 
       468  53  53 GLU HG2  H   2.232 0.030 2 
       469  54  54 GLY N    N 111.417 0.300 1 
       470  54  54 GLY H    H   7.465 0.030 1 
       471  54  54 GLY CA   C  43.622 0.300 1 
       472  54  54 GLY HA3  H   2.287 0.030 2 
       473  54  54 GLY C    C 170.013 0.300 1 
       474  54  54 GLY HA2  H   3.819 0.030 2 
       475  55  55 LEU N    N 117.446 0.300 1 
       476  55  55 LEU H    H   7.461 0.030 1 
       477  55  55 LEU CA   C  54.041 0.300 1 
       478  55  55 LEU HA   H   4.293 0.030 1 
       479  55  55 LEU CB   C  42.832 0.300 1 
       480  55  55 LEU HB3  H   1.280 0.030 1 
       481  55  55 LEU CG   C  26.797 0.300 1 
       482  55  55 LEU HG   H   1.298 0.030 1 
       483  55  55 LEU CD1  C  24.171 0.300 2 
       484  55  55 LEU HD1  H   0.835 0.030 1 
       485  55  55 LEU CD2  C  24.421 0.300 2 
       486  55  55 LEU HD2  H   0.761 0.030 1 
       487  55  55 LEU C    C 176.872 0.300 1 
       488  55  55 LEU HB2  H   1.280 0.030 1 
       489  56  56 LEU N    N 131.840 0.300 1 
       490  56  56 LEU H    H   8.791 0.030 1 
       491  56  56 LEU CA   C  53.807 0.300 1 
       492  56  56 LEU HA   H   5.053 0.030 1 
       493  56  56 LEU CB   C  43.113 0.300 1 
       494  56  56 LEU HB3  H   1.001 0.030 2 
       495  56  56 LEU CG   C  26.943 0.300 1 
       496  56  56 LEU HG   H   1.018 0.030 1 
       497  56  56 LEU CD1  C  23.745 0.300 2 
       498  56  56 LEU HD1  H   0.679 0.030 1 
       499  56  56 LEU CD2  C  24.580 0.300 2 
       500  56  56 LEU HD2  H   0.109 0.030 1 
       501  56  56 LEU C    C 175.389 0.300 1 
       502  56  56 LEU HB2  H   1.461 0.030 2 
       503  57  57 ALA N    N 130.035 0.300 1 
       504  57  57 ALA H    H   8.880 0.030 1 
       505  57  57 ALA CA   C  51.758 0.300 1 
       506  57  57 ALA HA   H   4.641 0.030 1 
       507  57  57 ALA CB   C  21.820 0.300 1 
       508  57  57 ALA HB   H   1.175 0.030 1 
       509  57  57 ALA C    C 174.647 0.300 1 
       510  58  58 VAL N    N 120.958 0.300 1 
       511  58  58 VAL H    H   8.443 0.030 1 
       512  58  58 VAL CA   C  60.495 0.300 1 
       513  58  58 VAL HA   H   4.988 0.030 1 
       514  58  58 VAL CB   C  34.639 0.300 1 
       515  58  58 VAL HB   H   1.706 0.030 1 
       516  58  58 VAL CG1  C  21.353 0.300 1 
       517  58  58 VAL HG1  H   0.812 0.030 1 
       518  58  58 VAL CG2  C  21.353 0.300 1 
       519  58  58 VAL HG2  H   0.812 0.030 1 
       520  58  58 VAL C    C 174.646 0.300 1 
       521  59  59 GLN N    N 127.048 0.300 1 
       522  59  59 GLN H    H   9.196 0.030 1 
       523  59  59 GLN CA   C  54.587 0.300 1 
       524  59  59 GLN HA   H   4.706 0.030 1 
       525  59  59 GLN CB   C  31.580 0.300 1 
       526  59  59 GLN HB3  H   1.991 0.030 2 
       527  59  59 GLN CG   C  33.770 0.300 1 
       528  59  59 GLN HG3  H   2.231 0.030 1 
       529  59  59 GLN NE2  N 111.120 0.300 1 
       530  59  59 GLN HE21 H   6.674 0.030 2 
       531  59  59 GLN HE22 H   7.328 0.030 2 
       532  59  59 GLN C    C 174.197 0.300 1 
       533  59  59 GLN HB2  H   1.905 0.030 2 
       534  59  59 GLN HG2  H   2.231 0.030 1 
       535  60  60 ILE N    N 127.617 0.300 1 
       536  60  60 ILE H    H   9.299 0.030 1 
       537  60  60 ILE CA   C  60.506 0.300 1 
       538  60  60 ILE HA   H   5.210 0.030 1 
       539  60  60 ILE CB   C  39.172 0.300 1 
       540  60  60 ILE HB   H   1.797 0.030 1 
       541  60  60 ILE CG1  C  27.289 0.300 1 
       542  60  60 ILE HG13 H   1.392 0.030 2 
       543  60  60 ILE CG2  C  16.708 0.300 1 
       544  60  60 ILE HG2  H   0.517 0.030 1 
       545  60  60 ILE CD1  C  13.815 0.300 1 
       546  60  60 ILE HD1  H   0.175 0.030 1 
       547  60  60 ILE C    C 175.608 0.300 1 
       548  60  60 ILE HG12 H   0.744 0.030 2 
       549  61  61 THR N    N 119.733 0.300 1 
       550  61  61 THR H    H   8.924 0.030 1 
       551  61  61 THR CA   C  59.565 0.300 1 
       552  61  61 THR HA   H   5.173 0.030 1 
       553  61  61 THR CB   C  72.121 0.300 1 
       554  61  61 THR HB   H   3.841 0.030 1 
       555  61  61 THR CG2  C  21.982 0.300 1 
       556  61  61 THR HG2  H   1.055 0.030 1 
       557  61  61 THR C    C 174.051 0.300 1 
       558  62  62 ASP N    N 122.337 0.300 1 
       559  62  62 ASP H    H   8.484 0.030 1 
       560  62  62 ASP CA   C  52.200 0.300 1 
       561  62  62 ASP HA   H   4.425 0.030 1 
       562  62  62 ASP CB   C  42.222 0.300 1 
       563  62  62 ASP HB3  H   2.366 0.030 2 
       564  62  62 ASP C    C 179.086 0.300 1 
       565  62  62 ASP HB2  H   3.149 0.030 2 
       566  63  63 GLN N    N 118.341 0.300 1 
       567  63  63 GLN H    H   8.250 0.030 1 
       568  63  63 GLN CA   C  58.406 0.300 1 
       569  63  63 GLN HA   H   4.049 0.030 1 
       570  63  63 GLN CB   C  28.127 0.300 1 
       571  63  63 GLN HB3  H   2.264 0.030 2 
       572  63  63 GLN CG   C  33.365 0.300 1 
       573  63  63 GLN HG3  H   2.469 0.030 2 
       574  63  63 GLN NE2  N 112.388 0.300 1 
       575  63  63 GLN HE21 H   6.905 0.030 2 
       576  63  63 GLN HE22 H   7.683 0.030 2 
       577  63  63 GLN C    C 177.152 0.300 1 
       578  63  63 GLN HB2  H   2.160 0.030 2 
       579  63  63 GLN HG2  H   2.378 0.030 2 
       580  64  64 GLU N    N 119.134 0.300 1 
       581  64  64 GLU H    H   8.120 0.030 1 
       582  64  64 GLU CA   C  55.790 0.300 1 
       583  64  64 GLU HA   H   4.423 0.030 1 
       584  64  64 GLU CB   C  30.102 0.300 1 
       585  64  64 GLU HB3  H   2.045 0.030 2 
       586  64  64 GLU CG   C  37.131 0.300 1 
       587  64  64 GLU HG3  H   2.241 0.030 1 
       588  64  64 GLU C    C 176.374 0.300 1 
       589  64  64 GLU HB2  H   2.268 0.030 2 
       590  64  64 GLU HG2  H   2.241 0.030 1 
       591  65  65 GLY N    N 108.728 0.300 1 
       592  65  65 GLY H    H   8.306 0.030 1 
       593  65  65 GLY CA   C  45.285 0.300 1 
       594  65  65 GLY HA3  H   3.561 0.030 2 
       595  65  65 GLY C    C 174.342 0.300 1 
       596  65  65 GLY HA2  H   4.203 0.030 2 
       597  66  66 LYS N    N 123.502 0.300 1 
       598  66  66 LYS H    H   8.528 0.030 1 
       599  66  66 LYS CA   C  53.738 0.300 1 
       600  66  66 LYS HA   H   4.613 0.030 1 
       601  66  66 LYS CB   C  31.167 0.300 1 
       602  66  66 LYS HB3  H   1.799 0.030 2 
       603  66  66 LYS CG   C  25.105 0.300 1 
       604  66  66 LYS HG3  H   1.477 0.030 2 
       605  66  66 LYS CD   C  28.866 0.300 1 
       606  66  66 LYS HD3  H   1.692 0.030 1 
       607  66  66 LYS CE   C  42.212 0.300 1 
       608  66  66 LYS HE3  H   2.998 0.030 1 
       609  66  66 LYS C    C 174.752 0.300 1 
       610  66  66 LYS HB2  H   2.100 0.030 2 
       611  66  66 LYS HD2  H   1.692 0.030 1 
       612  66  66 LYS HE2  H   2.998 0.030 1 
       613  66  66 LYS HG2  H   1.380 0.030 2 
       614  67  67 PRO CA   C  62.433 0.300 1 
       615  67  67 PRO HA   H   5.062 0.030 1 
       616  67  67 PRO CB   C  32.725 0.300 1 
       617  67  67 PRO HB3  H   1.916 0.030 2 
       618  67  67 PRO CG   C  27.356 0.300 1 
       619  67  67 PRO HG3  H   2.144 0.030 2 
       620  67  67 PRO CD   C  50.789 0.300 1 
       621  67  67 PRO HD3  H   3.979 0.030 2 
       622  67  67 PRO C    C 177.270 0.300 1 
       623  67  67 PRO HB2  H   2.321 0.030 2 
       624  67  67 PRO HD2  H   3.717 0.030 2 
       625  67  67 PRO HG2  H   2.066 0.030 2 
       626  68  68 LYS N    N 121.461 0.300 1 
       627  68  68 LYS H    H   8.419 0.030 1 
       628  68  68 LYS CA   C  52.023 0.300 1 
       629  68  68 LYS HA   H   4.797 0.030 1 
       630  68  68 LYS CB   C  32.611 0.300 1 
       631  68  68 LYS HB3  H   1.553 0.030 2 
       632  68  68 LYS CG   C  24.055 0.300 1 
       633  68  68 LYS HG3  H   1.542 0.030 2 
       634  68  68 LYS CD   C  27.293 0.300 1 
       635  68  68 LYS HD3  H   1.911 0.030 2 
       636  68  68 LYS CE   C  42.492 0.300 1 
       637  68  68 LYS HE3  H   3.104 0.030 2 
       638  68  68 LYS C    C 175.389 0.300 1 
       639  68  68 LYS HB2  H   1.859 0.030 2 
       640  68  68 LYS HD2  H   1.483 0.030 2 
       641  68  68 LYS HE2  H   3.192 0.030 2 
       642  68  68 LYS HG2  H   1.453 0.030 2 
       643  69  69 ARG N    N 124.040 0.300 1 
       644  69  69 ARG H    H   8.683 0.030 1 
       645  69  69 ARG CA   C  57.045 0.300 1 
       646  69  69 ARG HA   H   4.221 0.030 1 
       647  69  69 ARG CB   C  30.712 0.300 1 
       648  69  69 ARG HB3  H   1.812 0.030 1 
       649  69  69 ARG CG   C  27.355 0.300 1 
       650  69  69 ARG HG3  H   1.707 0.030 2 
       651  69  69 ARG CD   C  43.532 0.300 1 
       652  69  69 ARG HD3  H   3.224 0.030 1 
       653  69  69 ARG C    C 174.877 0.300 1 
       654  69  69 ARG HB2  H   1.812 0.030 1 
       655  69  69 ARG HD2  H   3.224 0.030 1 
       656  69  69 ARG HG2  H   1.531 0.030 2 
       657  70  70 ALA N    N 127.074 0.300 1 
       658  70  70 ALA H    H   8.421 0.030 1 
       659  70  70 ALA CA   C  50.360 0.300 1 
       660  70  70 ALA HA   H   4.859 0.030 1 
       661  70  70 ALA CB   C  20.569 0.300 1 
       662  70  70 ALA HB   H   1.127 0.030 1 
       663  70  70 ALA C    C 176.313 0.300 1 
       664  71  71 ILE N    N 124.496 0.300 1 
       665  71  71 ILE H    H   8.943 0.030 1 
       666  71  71 ILE CA   C  60.870 0.300 1 
       667  71  71 ILE HA   H   4.195 0.030 1 
       668  71  71 ILE CB   C  38.457 0.300 1 
       669  71  71 ILE HB   H   1.864 0.030 1 
       670  71  71 ILE CG1  C  27.386 0.300 1 
       671  71  71 ILE HG13 H   1.478 0.030 2 
       672  71  71 ILE CG2  C  17.544 0.300 1 
       673  71  71 ILE HG2  H   0.803 0.030 1 
       674  71  71 ILE CD1  C  12.768 0.300 1 
       675  71  71 ILE HD1  H   0.806 0.030 1 
       676  71  71 ILE C    C 175.027 0.300 1 
       677  71  71 ILE HG12 H   1.114 0.030 2 
       678  72  72 VAL N    N 128.410 0.300 1 
       679  72  72 VAL H    H   8.714 0.030 1 
       680  72  72 VAL CA   C  61.867 0.300 1 
       681  72  72 VAL HA   H   4.478 0.030 1 
       682  72  72 VAL CB   C  32.745 0.300 1 
       683  72  72 VAL HB   H   2.073 0.030 1 
       684  72  72 VAL CG1  C  20.955 0.300 1 
       685  72  72 VAL HG1  H   0.831 0.030 1 
       686  72  72 VAL CG2  C  20.955 0.300 1 
       687  72  72 VAL HG2  H   0.831 0.030 1 
       688  72  72 VAL C    C 175.279 0.300 1 
       689  73  73 HIS N    N 129.084 0.300 1 
       690  73  73 HIS H    H   9.783 0.030 1 
       691  73  73 HIS CA   C  55.366 0.300 1 
       692  73  73 HIS HA   H   4.849 0.030 1 
       693  73  73 HIS CB   C  31.465 0.300 1 
       694  73  73 HIS HB3  H   2.979 0.030 2 
       695  73  73 HIS CD2  C 120.284 0.300 1 
       696  73  73 HIS HD2  H   7.003 0.030 1 
       697  73  73 HIS CE1  C 137.939 0.300 1 
       698  73  73 HIS HE1  H   8.049 0.030 1 
       699  73  73 HIS C    C 173.491 0.300 1 
       700  73  73 HIS HB2  H   3.217 0.030 2 
       701  74  74 ASP N    N 127.118 0.300 1 
       702  74  74 ASP H    H   8.541 0.030 1 
       703  74  74 ASP CA   C  53.048 0.300 1 
       704  74  74 ASP HA   H   4.476 0.030 1 
       705  74  74 ASP CB   C  41.554 0.300 1 
       706  74  74 ASP HB3  H   2.671 0.030 2 
       707  74  74 ASP C    C 175.936 0.300 1 
       708  74  74 ASP HB2  H   2.876 0.030 2 
       709  75  75 ASN N    N 124.002 0.300 1 
       710  75  75 ASN H    H   7.827 0.030 1 
       711  75  75 ASN CA   C  54.517 0.300 1 
       712  75  75 ASN HA   H   4.572 0.030 1 
       713  75  75 ASN CB   C  38.091 0.300 1 
       714  75  75 ASN HB3  H   2.687 0.030 2 
       715  75  75 ASN ND2  N 112.872 0.300 1 
       716  75  75 ASN HD21 H   7.697 0.030 2 
       717  75  75 ASN HD22 H   6.363 0.030 2 
       718  75  75 ASN C    C 175.352 0.300 1 
       719  75  75 ASN HB2  H   2.938 0.030 2 
       720  76  76 LYS N    N 114.689 0.300 1 
       721  76  76 LYS H    H   9.246 0.030 1 
       722  76  76 LYS CA   C  57.428 0.300 1 
       723  76  76 LYS HA   H   3.882 0.030 1 
       724  76  76 LYS CB   C  28.223 0.300 1 
       725  76  76 LYS HB3  H   1.951 0.030 2 
       726  76  76 LYS CG   C  24.532 0.300 1 
       727  76  76 LYS HG3  H   1.304 0.030 2 
       728  76  76 LYS CD   C  28.351 0.300 1 
       729  76  76 LYS HD3  H   1.641 0.030 2 
       730  76  76 LYS CE   C  42.295 0.300 1 
       731  76  76 LYS HE3  H   2.975 0.030 1 
       732  76  76 LYS C    C 174.975 0.300 1 
       733  76  76 LYS HB2  H   2.132 0.030 2 
       734  76  76 LYS HD2  H   1.563 0.030 2 
       735  76  76 LYS HE2  H   2.975 0.030 1 
       736  76  76 LYS HG2  H   1.164 0.030 2 
       737  77  77 ASP N    N 117.462 0.300 1 
       738  77  77 ASP H    H   7.831 0.030 1 
       739  77  77 ASP CA   C  52.168 0.300 1 
       740  77  77 ASP HA   H   4.706 0.030 1 
       741  77  77 ASP CB   C  41.224 0.300 1 
       742  77  77 ASP HB3  H   2.396 0.030 2 
       743  77  77 ASP C    C 176.739 0.300 1 
       744  77  77 ASP HB2  H   3.002 0.030 2 
       745  78  78 GLY N    N 109.485 0.300 1 
       746  78  78 GLY H    H   8.658 0.030 1 
       747  78  78 GLY CA   C  45.568 0.300 1 
       748  78  78 GLY HA3  H   3.698 0.030 2 
       749  78  78 GLY C    C 172.263 0.300 1 
       750  78  78 GLY HA2  H   4.323 0.030 2 
       751  79  79 THR N    N 109.462 0.300 1 
       752  79  79 THR H    H   8.057 0.030 1 
       753  79  79 THR CA   C  59.989 0.300 1 
       754  79  79 THR HA   H   5.566 0.030 1 
       755  79  79 THR CB   C  72.712 0.300 1 
       756  79  79 THR HB   H   4.429 0.030 1 
       757  79  79 THR CG2  C  20.959 0.300 1 
       758  79  79 THR HG2  H   1.078 0.030 1 
       759  79  79 THR C    C 173.868 0.300 1 
       760  80  80 TYR N    N 116.428 0.300 1 
       761  80  80 TYR H    H   9.085 0.030 1 
       762  80  80 TYR CA   C  56.533 0.300 1 
       763  80  80 TYR HA   H   5.372 0.030 1 
       764  80  80 TYR CB   C  42.831 0.300 1 
       765  80  80 TYR HB3  H   2.730 0.030 2 
       766  80  80 TYR CD1  C 132.992 0.300 1 
       767  80  80 TYR HD1  H   6.759 0.030 1 
       768  80  80 TYR CD2  C 132.992 0.300 1 
       769  80  80 TYR HD2  H   6.759 0.030 1 
       770  80  80 TYR CE1  C 118.049 0.300 1 
       771  80  80 TYR HE1  H   6.701 0.030 1 
       772  80  80 TYR CE2  C 118.049 0.300 1 
       773  80  80 TYR HE2  H   6.701 0.030 1 
       774  80  80 TYR C    C 175.327 0.300 1 
       775  80  80 TYR HB2  H   2.495 0.030 2 
       776  81  81 ALA N    N 126.743 0.300 1 
       777  81  81 ALA H    H   9.302 0.030 1 
       778  81  81 ALA CA   C  51.121 0.300 1 
       779  81  81 ALA HA   H   5.149 0.030 1 
       780  81  81 ALA CB   C  22.111 0.300 1 
       781  81  81 ALA HB   H   1.501 0.030 1 
       782  81  81 ALA C    C 175.505 0.300 1 
       783  82  82 VAL N    N 124.472 0.300 1 
       784  82  82 VAL H    H   8.940 0.030 1 
       785  82  82 VAL CA   C  60.264 0.300 1 
       786  82  82 VAL HA   H   5.039 0.030 1 
       787  82  82 VAL CB   C  33.236 0.300 1 
       788  82  82 VAL HB   H   0.134 0.030 1 
       789  82  82 VAL CG1  C  22.488 0.300 2 
       790  82  82 VAL HG1  H   0.527 0.030 1 
       791  82  82 VAL CG2  C  21.858 0.300 2 
       792  82  82 VAL HG2  H   0.449 0.030 1 
       793  82  82 VAL C    C 174.517 0.300 1 
       794  83  83 THR N    N 121.500 0.300 1 
       795  83  83 THR H    H   8.717 0.030 1 
       796  83  83 THR CA   C  61.075 0.300 1 
       797  83  83 THR HA   H   5.497 0.030 1 
       798  83  83 THR CB   C  72.153 0.300 1 
       799  83  83 THR HB   H   3.667 0.030 1 
       800  83  83 THR CG2  C  21.506 0.300 1 
       801  83  83 THR HG2  H   1.123 0.030 1 
       802  83  83 THR C    C 173.515 0.300 1 
       803  84  84 TYR N    N 122.841 0.300 1 
       804  84  84 TYR H    H   9.014 0.030 1 
       805  84  84 TYR CA   C  55.985 0.300 1 
       806  84  84 TYR HA   H   4.979 0.030 1 
       807  84  84 TYR CB   C  41.967 0.300 1 
       808  84  84 TYR HB3  H   2.789 0.030 1 
       809  84  84 TYR CD1  C 132.453 0.300 1 
       810  84  84 TYR HD1  H   6.480 0.030 1 
       811  84  84 TYR CD2  C 132.453 0.300 1 
       812  84  84 TYR HD2  H   6.480 0.030 1 
       813  84  84 TYR CE1  C 116.751 0.300 1 
       814  84  84 TYR HE1  H   6.114 0.030 1 
       815  84  84 TYR CE2  C 116.751 0.300 1 
       816  84  84 TYR HE2  H   6.114 0.030 1 
       817  84  84 TYR C    C 171.873 0.300 1 
       818  84  84 TYR HB2  H   2.789 0.030 1 
       819  85  85 ILE N    N 118.254 0.300 1 
       820  85  85 ILE H    H   8.805 0.030 1 
       821  85  85 ILE CA   C  57.883 0.300 1 
       822  85  85 ILE HA   H   4.550 0.030 1 
       823  85  85 ILE CB   C  40.179 0.300 1 
       824  85  85 ILE HB   H   1.721 0.030 1 
       825  85  85 ILE CG1  C  27.630 0.300 1 
       826  85  85 ILE HG13 H   1.420 0.030 2 
       827  85  85 ILE CG2  C  16.916 0.300 1 
       828  85  85 ILE HG2  H   0.429 0.030 1 
       829  85  85 ILE CD1  C  13.861 0.300 1 
       830  85  85 ILE HD1  H   0.825 0.030 1 
       831  85  85 ILE C    C 174.339 0.300 1 
       832  85  85 ILE HG12 H   0.494 0.030 2 
       833  86  86 PRO CA   C  61.414 0.300 1 
       834  86  86 PRO HA   H   4.436 0.030 1 
       835  86  86 PRO CB   C  30.107 0.300 1 
       836  86  86 PRO HB3  H   1.239 0.030 2 
       837  86  86 PRO CG   C  26.671 0.300 1 
       838  86  86 PRO HG3  H   2.236 0.030 2 
       839  86  86 PRO CD   C  50.301 0.300 1 
       840  86  86 PRO HD3  H   3.960 0.030 2 
       841  86  86 PRO C    C 175.126 0.300 1 
       842  86  86 PRO HB2  H   1.771 0.030 2 
       843  86  86 PRO HD2  H   3.276 0.030 2 
       844  86  86 PRO HG2  H   1.626 0.030 2 
       845  87  87 ASP N    N 123.447 0.300 1 
       846  87  87 ASP H    H   8.501 0.030 1 
       847  87  87 ASP CA   C  55.668 0.300 1 
       848  87  87 ASP HA   H   4.263 0.030 1 
       849  87  87 ASP CB   C  40.930 0.300 1 
       850  87  87 ASP HB3  H   2.718 0.030 1 
       851  87  87 ASP C    C 175.182 0.300 1 
       852  87  87 ASP HB2  H   2.718 0.030 1 
       853  88  88 LYS N    N 116.947 0.300 1 
       854  88  88 LYS H    H   7.683 0.030 1 
       855  88  88 LYS CA   C  54.995 0.300 1 
       856  88  88 LYS HA   H   4.588 0.030 1 
       857  88  88 LYS CB   C  34.821 0.300 1 
       858  88  88 LYS HB3  H   1.752 0.030 2 
       859  88  88 LYS CG   C  24.520 0.300 1 
       860  88  88 LYS HG3  H   1.461 0.030 1 
       861  88  88 LYS CD   C  29.088 0.300 1 
       862  88  88 LYS HD3  H   1.690 0.030 1 
       863  88  88 LYS CE   C  42.213 0.300 1 
       864  88  88 LYS HE3  H   2.992 0.030 1 
       865  88  88 LYS C    C 177.529 0.300 1 
       866  88  88 LYS HB2  H   1.933 0.030 2 
       867  88  88 LYS HD2  H   1.690 0.030 1 
       868  88  88 LYS HE2  H   2.992 0.030 1 
       869  88  88 LYS HG2  H   1.461 0.030 1 
       870  89  89 THR N    N 114.134 0.300 1 
       871  89  89 THR H    H   8.588 0.030 1 
       872  89  89 THR CA   C  62.828 0.300 1 
       873  89  89 THR HA   H   4.083 0.030 1 
       874  89  89 THR CB   C  69.590 0.300 1 
       875  89  89 THR HB   H   4.348 0.030 1 
       876  89  89 THR CG2  C  22.620 0.300 1 
       877  89  89 THR HG2  H   1.236 0.030 1 
       878  89  89 THR C    C 174.269 0.300 1 
       879  90  90 GLY N    N 109.440 0.300 1 
       880  90  90 GLY H    H   8.444 0.030 1 
       881  90  90 GLY CA   C  44.648 0.300 1 
       882  90  90 GLY HA3  H   4.467 0.030 2 
       883  90  90 GLY C    C 172.469 0.300 1 
       884  90  90 GLY HA2  H   3.908 0.030 2 
       885  91  91 ARG N    N 120.781 0.300 1 
       886  91  91 ARG H    H   8.271 0.030 1 
       887  91  91 ARG CA   C  56.178 0.300 1 
       888  91  91 ARG HA   H   4.951 0.030 1 
       889  91  91 ARG CB   C  31.986 0.300 1 
       890  91  91 ARG HB3  H   1.792 0.030 2 
       891  91  91 ARG CG   C  27.874 0.300 1 
       892  91  91 ARG HG3  H   1.658 0.030 2 
       893  91  91 ARG CD   C  43.532 0.300 1 
       894  91  91 ARG HD3  H   3.186 0.030 2 
       895  91  91 ARG C    C 175.711 0.300 1 
       896  91  91 ARG HB2  H   1.657 0.030 2 
       897  91  91 ARG HD2  H   3.101 0.030 2 
       898  91  91 ARG HG2  H   1.494 0.030 2 
       899  92  92 TYR N    N 122.381 0.300 1 
       900  92  92 TYR H    H   9.312 0.030 1 
       901  92  92 TYR CA   C  56.886 0.300 1 
       902  92  92 TYR HA   H   4.960 0.030 1 
       903  92  92 TYR CB   C  41.223 0.300 1 
       904  92  92 TYR HB3  H   2.499 0.030 2 
       905  92  92 TYR CD1  C 132.675 0.300 1 
       906  92  92 TYR HD1  H   6.914 0.030 1 
       907  92  92 TYR CD2  C 132.675 0.300 1 
       908  92  92 TYR HD2  H   6.914 0.030 1 
       909  92  92 TYR CE1  C 117.401 0.300 1 
       910  92  92 TYR HE1  H   6.771 0.030 1 
       911  92  92 TYR CE2  C 117.401 0.300 1 
       912  92  92 TYR HE2  H   6.771 0.030 1 
       913  92  92 TYR C    C 174.902 0.300 1 
       914  92  92 TYR HB2  H   2.687 0.030 2 
       915  93  93 MET N    N 121.210 0.300 1 
       916  93  93 MET H    H   8.819 0.030 1 
       917  93  93 MET CA   C  53.745 0.300 1 
       918  93  93 MET HA   H   5.346 0.030 1 
       919  93  93 MET CB   C  34.220 0.300 1 
       920  93  93 MET HB3  H   1.892 0.030 1 
       921  93  93 MET CG   C  32.230 0.300 1 
       922  93  93 MET HG3  H   2.411 0.030 2 
       923  93  93 MET CE   C  16.509 0.300 1 
       924  93  93 MET HE   H   1.919 0.030 1 
       925  93  93 MET C    C 175.365 0.300 1 
       926  93  93 MET HB2  H   1.892 0.030 1 
       927  93  93 MET HG2  H   2.337 0.030 2 
       928  94  94 ILE N    N 125.747 0.300 1 
       929  94  94 ILE H    H   9.372 0.030 1 
       930  94  94 ILE CA   C  60.685 0.300 1 
       931  94  94 ILE HA   H   4.606 0.030 1 
       932  94  94 ILE CB   C  39.188 0.300 1 
       933  94  94 ILE HB   H   1.734 0.030 1 
       934  94  94 ILE CG1  C  27.062 0.300 1 
       935  94  94 ILE HG13 H   1.225 0.030 2 
       936  94  94 ILE CG2  C  16.634 0.300 1 
       937  94  94 ILE HG2  H   0.450 0.030 1 
       938  94  94 ILE CD1  C  13.851 0.300 1 
       939  94  94 ILE HD1  H   0.357 0.030 1 
       940  94  94 ILE C    C 174.987 0.300 1 
       941  94  94 ILE HG12 H   0.633 0.030 2 
       942  95  95 GLY N    N 116.553 0.300 1 
       943  95  95 GLY H    H   9.509 0.030 1 
       944  95  95 GLY CA   C  44.507 0.300 1 
       945  95  95 GLY HA3  H   3.605 0.030 2 
       946  95  95 GLY C    C 173.175 0.300 1 
       947  95  95 GLY HA2  H   4.606 0.030 2 
       948  96  96 VAL N    N 127.036 0.300 1 
       949  96  96 VAL H    H   9.299 0.030 1 
       950  96  96 VAL CA   C  61.308 0.300 1 
       951  96  96 VAL HA   H   4.889 0.030 1 
       952  96  96 VAL CB   C  34.145 0.300 1 
       953  96  96 VAL HB   H   2.045 0.030 1 
       954  96  96 VAL CG1  C  22.562 0.300 2 
       955  96  96 VAL HG1  H   0.923 0.030 1 
       956  96  96 VAL CG2  C  20.781 0.300 2 
       957  96  96 VAL HG2  H   0.978 0.030 1 
       958  96  96 VAL C    C 174.354 0.300 1 
       959  97  97 THR N    N 115.219 0.300 1 
       960  97  97 THR H    H   9.018 0.030 1 
       961  97  97 THR CA   C  57.826 0.300 1 
       962  97  97 THR HA   H   5.265 0.030 1 
       963  97  97 THR CB   C  72.753 0.300 1 
       964  97  97 THR HB   H   3.468 0.030 1 
       965  97  97 THR CG2  C  20.617 0.300 1 
       966  97  97 THR HG2  H   0.849 0.030 1 
       967  97  97 THR C    C 173.175 0.300 1 
       968  98  98 TYR N    N 122.768 0.300 1 
       969  98  98 TYR H    H   9.149 0.030 1 
       970  98  98 TYR CA   C  57.488 0.300 1 
       971  98  98 TYR HA   H   5.077 0.030 1 
       972  98  98 TYR CB   C  43.122 0.300 1 
       973  98  98 TYR HB3  H   2.444 0.030 2 
       974  98  98 TYR CD1  C 131.075 0.300 1 
       975  98  98 TYR HD1  H   6.637 0.030 1 
       976  98  98 TYR CD2  C 131.075 0.300 1 
       977  98  98 TYR HD2  H   6.637 0.030 1 
       978  98  98 TYR CE1  C 118.785 0.300 1 
       979  98  98 TYR HE1  H   6.591 0.030 1 
       980  98  98 TYR CE2  C 118.785 0.300 1 
       981  98  98 TYR HE2  H   6.591 0.030 1 
       982  98  98 TYR C    C 175.949 0.300 1 
       983  98  98 TYR HB2  H   2.846 0.030 2 
       984  99  99 GLY N    N 113.994 0.300 1 
       985  99  99 GLY H    H   8.402 0.030 1 
       986  99  99 GLY CA   C  45.010 0.300 1 
       987  99  99 GLY HA3  H   2.623 0.030 2 
       988  99  99 GLY C    C 174.197 0.300 1 
       989  99  99 GLY HA2  H   3.220 0.030 2 
       990 100 100 GLY N    N 103.115 0.300 1 
       991 100 100 GLY H    H   8.288 0.030 1 
       992 100 100 GLY CA   C  44.170 0.300 1 
       993 100 100 GLY HA3  H   4.265 0.030 2 
       994 100 100 GLY C    C 173.054 0.300 1 
       995 100 100 GLY HA2  H   3.284 0.030 2 
       996 101 101 ASP N    N 120.566 0.300 1 
       997 101 101 ASP H    H   7.245 0.030 1 
       998 101 101 ASP CA   C  52.908 0.300 1 
       999 101 101 ASP HA   H   5.012 0.030 1 
      1000 101 101 ASP CB   C  42.831 0.300 1 
      1001 101 101 ASP HB3  H   2.742 0.030 2 
      1002 101 101 ASP C    C 175.182 0.300 1 
      1003 101 101 ASP HB2  H   2.813 0.030 2 
      1004 102 102 ASP N    N 122.668 0.300 1 
      1005 102 102 ASP H    H   8.597 0.030 1 
      1006 102 102 ASP CA   C  56.233 0.300 1 
      1007 102 102 ASP HA   H   4.667 0.030 1 
      1008 102 102 ASP CB   C  42.373 0.300 1 
      1009 102 102 ASP HB3  H   2.380 0.030 2 
      1010 102 102 ASP C    C 176.970 0.300 1 
      1011 102 102 ASP HB2  H   2.655 0.030 2 
      1012 103 103 ILE N    N 117.672 0.300 1 
      1013 103 103 ILE H    H   7.887 0.030 1 
      1014 103 103 ILE CA   C  61.025 0.300 1 
      1015 103 103 ILE HA   H   4.526 0.030 1 
      1016 103 103 ILE CB   C  35.534 0.300 1 
      1017 103 103 ILE HB   H   2.327 0.030 1 
      1018 103 103 ILE CG1  C  25.657 0.300 1 
      1019 103 103 ILE HG13 H   1.429 0.030 1 
      1020 103 103 ILE CG2  C  17.103 0.300 1 
      1021 103 103 ILE HG2  H   0.975 0.030 1 
      1022 103 103 ILE CD1  C  15.288 0.300 1 
      1023 103 103 ILE HD1  H   0.855 0.030 1 
      1024 103 103 ILE C    C 173.902 0.300 1 
      1025 103 103 ILE HG12 H   1.429 0.030 1 
      1026 104 104 PRO CA   C  66.456 0.300 1 
      1027 104 104 PRO HA   H   4.177 0.030 1 
      1028 104 104 PRO CB   C  31.709 0.300 1 
      1029 104 104 PRO HB3  H   1.886 0.030 2 
      1030 104 104 PRO CG   C  28.686 0.300 1 
      1031 104 104 PRO HG3  H   1.945 0.030 2 
      1032 104 104 PRO CD   C  50.555 0.300 1 
      1033 104 104 PRO HD3  H   3.698 0.030 2 
      1034 104 104 PRO HB2  H   2.358 0.030 2 
      1035 104 104 PRO HD2  H   4.379 0.030 2 
      1036 104 104 PRO HG2  H   2.312 0.030 2 
      1037 105 105 LEU N    N 115.386 0.300 1 
      1038 105 105 LEU H    H   8.464 0.030 1 
      1039 105 105 LEU CA   C  55.294 0.300 1 
      1040 105 105 LEU HA   H   3.845 0.030 1 
      1041 105 105 LEU CB   C  39.148 0.300 1 
      1042 105 105 LEU HB3  H   1.287 0.030 1 
      1043 105 105 LEU CG   C  27.626 0.300 1 
      1044 105 105 LEU HG   H   1.487 0.030 1 
      1045 105 105 LEU CD1  C  25.340 0.300 2 
      1046 105 105 LEU HD1  H   1.002 0.030 1 
      1047 105 105 LEU CD2  C  22.782 0.300 2 
      1048 105 105 LEU HD2  H   0.833 0.030 1 
      1049 105 105 LEU HB2  H   1.287 0.030 1 
      1050 106 106 SER N    N 111.669 0.300 1 
      1051 106 106 SER H    H   7.338 0.030 1 
      1052 106 106 SER CA   C  54.750 0.300 1 
      1053 106 106 SER HA   H   4.347 0.030 1 
      1054 106 106 SER CB   C  64.133 0.300 1 
      1055 106 106 SER HB3  H   4.127 0.030 2 
      1056 106 106 SER HB2  H   3.693 0.030 2 
      1057 107 107 PRO CA   C  62.344 0.300 1 
      1058 107 107 PRO HA   H   5.323 0.030 1 
      1059 107 107 PRO CB   C  33.977 0.300 1 
      1060 107 107 PRO HB3  H   2.105 0.030 2 
      1061 107 107 PRO CG   C  25.052 0.300 1 
      1062 107 107 PRO HG3  H   1.854 0.030 1 
      1063 107 107 PRO CD   C  50.256 0.300 1 
      1064 107 107 PRO HD3  H   3.475 0.030 2 
      1065 107 107 PRO C    C 176.003 0.300 1 
      1066 107 107 PRO HB2  H   1.635 0.030 2 
      1067 107 107 PRO HD2  H   3.404 0.030 2 
      1068 107 107 PRO HG2  H   1.854 0.030 1 
      1069 108 108 TYR N    N 122.832 0.300 1 
      1070 108 108 TYR H    H   9.294 0.030 1 
      1071 108 108 TYR CA   C  57.629 0.300 1 
      1072 108 108 TYR HA   H   4.428 0.030 1 
      1073 108 108 TYR CB   C  40.091 0.300 1 
      1074 108 108 TYR HB3  H   2.736 0.030 2 
      1075 108 108 TYR CD1  C 133.150 0.300 1 
      1076 108 108 TYR HD1  H   7.049 0.030 1 
      1077 108 108 TYR CD2  C 133.150 0.300 1 
      1078 108 108 TYR HD2  H   7.049 0.030 1 
      1079 108 108 TYR CE1  C 118.212 0.300 1 
      1080 108 108 TYR HE1  H   6.480 0.030 1 
      1081 108 108 TYR CE2  C 118.212 0.300 1 
      1082 108 108 TYR HE2  H   6.480 0.030 1 
      1083 108 108 TYR C    C 175.851 0.300 1 
      1084 108 108 TYR HB2  H   2.688 0.030 2 
      1085 109 109 ARG N    N 122.941 0.300 1 
      1086 109 109 ARG H    H   8.746 0.030 1 
      1087 109 109 ARG CA   C  55.259 0.300 1 
      1088 109 109 ARG HA   H   5.189 0.030 1 
      1089 109 109 ARG CB   C  30.879 0.300 1 
      1090 109 109 ARG HB3  H   1.722 0.030 1 
      1091 109 109 ARG CG   C  27.870 0.300 1 
      1092 109 109 ARG HG3  H   1.485 0.030 2 
      1093 109 109 ARG CD   C  43.532 0.300 1 
      1094 109 109 ARG HD3  H   3.129 0.030 1 
      1095 109 109 ARG C    C 175.522 0.300 1 
      1096 109 109 ARG HB2  H   1.722 0.030 1 
      1097 109 109 ARG HD2  H   3.129 0.030 1 
      1098 109 109 ARG HG2  H   1.613 0.030 2 
      1099 110 110 ILE N    N 125.109 0.300 1 
      1100 110 110 ILE H    H   8.742 0.030 1 
      1101 110 110 ILE CA   C  57.577 0.300 1 
      1102 110 110 ILE HA   H   4.758 0.030 1 
      1103 110 110 ILE CB   C  41.138 0.300 1 
      1104 110 110 ILE HB   H   1.889 0.030 1 
      1105 110 110 ILE CG1  C  27.040 0.300 1 
      1106 110 110 ILE HG13 H   1.313 0.030 2 
      1107 110 110 ILE CG2  C  18.968 0.300 1 
      1108 110 110 ILE HG2  H   0.865 0.030 1 
      1109 110 110 ILE CD1  C  12.524 0.300 1 
      1110 110 110 ILE HD1  H   0.615 0.030 1 
      1111 110 110 ILE C    C 175.121 0.300 1 
      1112 110 110 ILE HG12 H   1.351 0.030 2 
      1113 111 111 ARG N    N 125.357 0.300 1 
      1114 111 111 ARG H    H   8.776 0.030 1 
      1115 111 111 ARG CA   C  54.730 0.300 1 
      1116 111 111 ARG HA   H   5.053 0.030 1 
      1117 111 111 ARG CB   C  32.685 0.300 1 
      1118 111 111 ARG HB3  H   1.798 0.030 2 
      1119 111 111 ARG CG   C  27.659 0.300 1 
      1120 111 111 ARG HG3  H   1.555 0.030 2 
      1121 111 111 ARG CD   C  43.449 0.300 1 
      1122 111 111 ARG HD3  H   3.181 0.030 1 
      1123 111 111 ARG C    C 174.163 0.300 1 
      1124 111 111 ARG HB2  H   1.720 0.030 2 
      1125 111 111 ARG HD2  H   3.181 0.030 1 
      1126 111 111 ARG HG2  H   1.489 0.030 2 
      1127 112 112 ALA N    N 127.119 0.300 1 
      1128 112 112 ALA H    H   9.208 0.030 1 
      1129 112 112 ALA CA   C  49.945 0.300 1 
      1130 112 112 ALA HA   H   5.851 0.030 1 
      1131 112 112 ALA CB   C  21.329 0.300 1 
      1132 112 112 ALA HB   H   1.456 0.030 1 
      1133 112 112 ALA C    C 178.853 0.300 1 
      1134 113 113 THR N    N 116.033 0.300 1 
      1135 113 113 THR H    H   8.995 0.030 1 
      1136 113 113 THR CA   C  60.312 0.300 1 
      1137 113 113 THR HA   H   4.695 0.030 1 
      1138 113 113 THR CB   C  71.251 0.300 1 
      1139 113 113 THR HB   H   4.263 0.030 1 
      1140 113 113 THR CG2  C  21.441 0.300 1 
      1141 113 113 THR HG2  H   1.143 0.030 1 
      1142 113 113 THR C    C 173.710 0.300 1 
      1143 114 114 GLN N    N 122.122 0.300 1 
      1144 114 114 GLN H    H   8.753 0.030 1 
      1145 114 114 GLN CA   C  55.817 0.300 1 
      1146 114 114 GLN HA   H   4.570 0.030 1 
      1147 114 114 GLN CB   C  30.106 0.300 1 
      1148 114 114 GLN HB3  H   2.132 0.030 2 
      1149 114 114 GLN CG   C  33.723 0.300 1 
      1150 114 114 GLN HG3  H   2.393 0.030 1 
      1151 114 114 GLN NE2  N 112.396 0.300 1 
      1152 114 114 GLN HE21 H   7.616 0.030 2 
      1153 114 114 GLN HE22 H   6.896 0.030 2 
      1154 114 114 GLN C    C 176.106 0.300 1 
      1155 114 114 GLN HB2  H   2.045 0.030 2 
      1156 114 114 GLN HG2  H   2.393 0.030 1 
      1157 115 115 THR N    N 117.345 0.300 1 
      1158 115 115 THR H    H   8.493 0.030 1 
      1159 115 115 THR CA   C  62.328 0.300 1 
      1160 115 115 THR HA   H   4.351 0.030 1 
      1161 115 115 THR CB   C  69.874 0.300 1 
      1162 115 115 THR HB   H   4.224 0.030 1 
      1163 115 115 THR CG2  C  21.736 0.300 1 
      1164 115 115 THR HG2  H   1.246 0.030 1 
      1165 115 115 THR C    C 175.158 0.300 1 
      1166 116 116 GLY N    N 111.927 0.300 1 
      1167 116 116 GLY H    H   8.559 0.030 1 
      1168 116 116 GLY CA   C  45.315 0.300 1 
      1169 116 116 GLY HA3  H   3.934 0.030 2 
      1170 116 116 GLY C    C 173.820 0.300 1 
      1171 116 116 GLY HA2  H   4.030 0.030 2 
      1172 117 117 ASP N    N 120.643 0.300 1 
      1173 117 117 ASP H    H   8.208 0.030 1 
      1174 117 117 ASP CA   C  54.393 0.300 1 
      1175 117 117 ASP HA   H   4.615 0.030 1 
      1176 117 117 ASP CB   C  41.388 0.300 1 
      1177 117 117 ASP HB3  H   2.726 0.030 2 
      1178 117 117 ASP C    C 175.973 0.300 1 
      1179 117 117 ASP HB2  H   2.637 0.030 2 
      1180 118 118 ALA N    N 124.934 0.300 1 
      1181 118 118 ALA H    H   8.312 0.030 1 
      1182 118 118 ALA CA   C  52.447 0.300 1 
      1183 118 118 ALA HA   H   4.415 0.030 1 
      1184 118 118 ALA CB   C  19.339 0.300 1 
      1185 118 118 ALA HB   H   1.406 0.030 1 
      1186 118 118 ALA C    C 176.848 0.300 1 
      1187 119 119 SER N    N 121.187 0.300 1 
      1188 119 119 SER H    H   7.967 0.030 1 
      1189 119 119 SER CA   C  60.160 0.300 1 
      1190 119 119 SER HA   H   4.233 0.030 1 
      1191 119 119 SER CB   C  64.871 0.300 1 
      1192 119 119 SER HB3  H   3.852 0.030 1 
      1193 119 119 SER C    C 178.832 0.300 1 
      1194 119 119 SER HB2  H   3.852 0.030 1 

   stop_

save_