data_10064

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

save_entry_information
   _Saveframe_category      entry_information

   _Entry_title            
;
Solution Structure of The forth PDZ Domain of Human Atrophin-1 Interacting 
Protein 1 (KIAA0705 Protein)
;
   _BMRB_accession_number   10064
   _BMRB_flat_file_name     bmr10064.str
   _Entry_type              original
   _Submission_date         2006-12-25
   _Accession_date          2006-12-26
   _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 Kigawa   T. . . 
      3 Koshiba  S. . . 
      4 Inoue    M. . . 
      5 Yokoyama S. . . 

   stop_

   loop_
      _Saveframe_category_type
      _Saveframe_category_type_count

      assigned_chemical_shifts 1 

   stop_

   loop_
      _Data_type
      _Data_type_count

      "1H chemical shifts"  619 
      "13C chemical shifts" 467 
      "15N chemical shifts" 109 

   stop_

   loop_
      _Revision_date
      _Revision_keyword
      _Revision_author
      _Revision_detail

      2008-08-14 original author . 

   stop_

   _Original_release_date   2008-08-14

save_


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

save_citation_1
   _Saveframe_category           entry_citation

   _Citation_full                .
   _Citation_title              
;
Solution Structure of The forth PDZ Domain of Human Atrophin-1 Interacting 
Protein 1 (KIAA0705 Protein)
;
   _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 Kigawa   T. . . 
      3 Koshiba  S. . . 
      4 Inoue    M. . . 
      5 Yokoyama S. . . 

   stop_

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

save_


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

save_assembly
   _Saveframe_category         molecular_system

   _Mol_system_name           'MEMBRANE ASSOCIATED GUANYLATE KINASE INVERTED-2 (MAGI-2)'
   _Enzyme_commission_number   .

   loop_
      _Mol_system_component_name
      _Mol_label

      'MEMBRANE ASSOCIATED GUANYLATE KINASE INVERTED-2 (MAGI-2)' $entity_1 

   stop_

   _System_molecular_weight    .
   _System_physical_state      native
   _System_oligomer_state     'protein monomer'
   _System_paramagnetic        no
   _System_thiol_state        'all free'
   _Database_query_date        .
   _Details                    .

save_


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

save_entity_1
   _Saveframe_category                          monomeric_polymer

   _Mol_type                                    polymer
   _Mol_polymer_class                           protein
   _Name_common                                'PDZ Domain'
   _Molecular_mass                              .
   _Mol_thiol_state                            'all free'
   _Details                                     .

   	##############################
   	#  Polymer residue sequence  #
   	##############################
   
      _Residue_count                               114
   _Mol_residue_sequence                       
;
GSSGSSGSLQTSDVVIHRKE
NEGFGFVIISSLNRPESGST
ITVPHKIGRIIDGSPADRCA
KLKVGDRILAVNGQSIINMP
HADIVKLIKDAGLSVTLRII
PQEELNSPSGPSSG
;

   loop_
      _Residue_seq_code
      _Residue_label

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

   stop_

   _Sequence_homology_query_date                .
   _Sequence_homology_query_revised_last_date   2015-01-31

   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 1UEW "Solution Structure Of The Forth Pdz Domain Of Human Atrophin-1 Interacting Protein 1 (Kiaa0705 Protein)" 100.00 114 100.00 100.00 8.25e-73 

   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 P021030-32 

   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        1.4  mM '[U-13C; U-15N]' 
       Tris-HCl(7.0)  20    mM  .               
       NaCl          100    mM  .               
       d-DTT           1    mM  .               
       NaN3            0.02 %   .               
       H2O            90    %   .               
       D2O            10    %   .               

   stop_

save_


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

save_software_1
   _Saveframe_category   software

   _Name                 xwinnmr
   _Version              2.6

   loop_
      _Vendor
      _Address
      _Electronic_address

      Bruker . . 

   stop_

   loop_
      _Task

      collection 

   stop_

   _Details              .

save_


save_software_2
   _Saveframe_category   software

   _Name                 NMRPipe
   _Version              20020425

   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              0.820

   loop_
      _Vendor
      _Address
      _Electronic_address

      'Kobayashi, N.' . . 

   stop_

   loop_
      _Task

      'data analysis' 

   stop_

   _Details              .

save_


save_software_5
   _Saveframe_category   software

   _Name                 CYANA
   _Version              1.0.7

   loop_
      _Vendor
      _Address
      _Electronic_address

      'Guntert, P.' . . 

   stop_

   loop_
      _Task

      'structure solution' 

   stop_

   _Details              .

save_


save_software_6
   _Saveframe_category   software

   _Name                 OPALp
   _Version              .

   loop_
      _Vendor
      _Address
      _Electronic_address

      'Billeter, M.' . . 
      'Guntert, P.'  . . 
      'Koradi, R.'   . . 

   stop_

   loop_
      _Task

      refinement 

   stop_

   _Details              .

save_


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

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

save_spectrometer_1
   _Saveframe_category   NMR_spectrometer

   _Manufacturer         Bruker
   _Model                AVANCE
   _Field_strength       800
   _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_


save_3D_13C-separated_NOESY
   _Saveframe_category                     NMR_applied_experiment

   _Experiment_name                       '3D 13C-separated NOESY'
   _BMRB_pulse_sequence_accession_number   .
   _Details                                .

save_


save_3D_15N-separated_NOESY
   _Saveframe_category                     NMR_applied_experiment

   _Experiment_name                       '3D 15N-separated NOESY'
   _BMRB_pulse_sequence_accession_number   .
   _Details                                .

save_


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

save_condition_1
   _Saveframe_category   sample_conditions

   _Details              .

   loop_
      _Variable_type
      _Variable_value
      _Variable_value_error
      _Variable_value_units

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

   stop_

save_


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

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

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

save_reference_1
   _Saveframe_category   chemical_shift_reference

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

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

      DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 
      DSS H  1 'methyl protons' ppm 0.0 . indirect . . . 1.0         
      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       'MEMBRANE ASSOCIATED GUANYLATE KINASE INVERTED-2 (MAGI-2)'
   _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   7   7 GLY H    H   8.179 0.030 1 
         2   7   7 GLY HA2  H   4.116 0.030 1 
         3   7   7 GLY HA3  H   4.116 0.030 1 
         4   7   7 GLY CA   C  44.677 0.300 1 
         5   7   7 GLY N    N 110.640 0.300 1 
         6   8   8 SER HA   H   4.481 0.030 1 
         7   8   8 SER HB2  H   3.864 0.030 1 
         8   8   8 SER HB3  H   3.864 0.030 1 
         9   8   8 SER C    C 174.323 0.300 1 
        10   8   8 SER CA   C  58.155 0.300 1 
        11   8   8 SER CB   C  63.878 0.300 1 
        12   9   9 LEU H    H   8.232 0.030 1 
        13   9   9 LEU HA   H   4.398 0.030 1 
        14   9   9 LEU HB2  H   1.525 0.030 1 
        15   9   9 LEU HB3  H   1.525 0.030 1 
        16   9   9 LEU HG   H   1.630 0.030 1 
        17   9   9 LEU HD1  H   0.917 0.030 1 
        18   9   9 LEU HD2  H   0.862 0.030 1 
        19   9   9 LEU C    C 176.839 0.300 1 
        20   9   9 LEU CA   C  55.026 0.300 1 
        21   9   9 LEU CB   C  42.620 0.300 1 
        22   9   9 LEU CG   C  27.006 0.300 1 
        23   9   9 LEU CD1  C  25.217 0.300 2 
        24   9   9 LEU CD2  C  23.814 0.300 2 
        25   9   9 LEU N    N 123.770 0.300 1 
        26  10  10 GLN H    H   8.510 0.030 1 
        27  10  10 GLN HA   H   4.428 0.030 1 
        28  10  10 GLN HB2  H   1.988 0.030 2 
        29  10  10 GLN HB3  H   2.112 0.030 2 
        30  10  10 GLN HG2  H   2.379 0.030 1 
        31  10  10 GLN HG3  H   2.379 0.030 1 
        32  10  10 GLN HE21 H   6.869 0.030 2 
        33  10  10 GLN HE22 H   7.565 0.030 2 
        34  10  10 GLN C    C 175.484 0.300 1 
        35  10  10 GLN CA   C  55.703 0.300 1 
        36  10  10 GLN CB   C  29.482 0.300 1 
        37  10  10 GLN CG   C  34.001 0.300 1 
        38  10  10 GLN N    N 122.944 0.300 1 
        39  10  10 GLN NE2  N 112.905 0.300 1 
        40  11  11 THR H    H   7.850 0.030 1 
        41  11  11 THR HA   H   5.023 0.030 1 
        42  11  11 THR HB   H   4.116 0.030 1 
        43  11  11 THR HG2  H   1.033 0.030 1 
        44  11  11 THR C    C 174.637 0.300 1 
        45  11  11 THR CA   C  60.397 0.300 1 
        46  11  11 THR CB   C  71.541 0.300 1 
        47  11  11 THR CG2  C  21.876 0.300 1 
        48  11  11 THR N    N 112.581 0.300 1 
        49  12  12 SER H    H   8.741 0.030 1 
        50  12  12 SER HA   H   4.729 0.030 1 
        51  12  12 SER HB2  H   3.571 0.030 2 
        52  12  12 SER HB3  H   3.682 0.030 2 
        53  12  12 SER C    C 172.144 0.300 1 
        54  12  12 SER CA   C  57.594 0.300 1 
        55  12  12 SER CB   C  65.877 0.300 1 
        56  12  12 SER N    N 115.276 0.300 1 
        57  13  13 ASP H    H   8.456 0.030 1 
        58  13  13 ASP HA   H   5.615 0.030 1 
        59  13  13 ASP HB2  H   2.531 0.030 2 
        60  13  13 ASP HB3  H   2.128 0.030 2 
        61  13  13 ASP C    C 176.059 0.300 1 
        62  13  13 ASP CA   C  53.377 0.300 1 
        63  13  13 ASP CB   C  41.629 0.300 1 
        64  13  13 ASP N    N 124.045 0.300 1 
        65  14  14 VAL H    H   9.315 0.030 1 
        66  14  14 VAL HA   H   4.178 0.030 1 
        67  14  14 VAL HB   H   1.834 0.030 1 
        68  14  14 VAL HG1  H   0.787 0.030 1 
        69  14  14 VAL HG2  H   0.829 0.030 1 
        70  14  14 VAL C    C 173.697 0.300 1 
        71  14  14 VAL CA   C  61.627 0.300 1 
        72  14  14 VAL CB   C  34.824 0.300 1 
        73  14  14 VAL CG1  C  21.864 0.300 2 
        74  14  14 VAL CG2  C  21.043 0.300 2 
        75  14  14 VAL N    N 125.347 0.300 1 
        76  15  15 VAL H    H   8.381 0.030 1 
        77  15  15 VAL HA   H   4.752 0.030 1 
        78  15  15 VAL HB   H   1.869 0.030 1 
        79  15  15 VAL HG1  H   0.892 0.030 1 
        80  15  15 VAL HG2  H   0.615 0.030 1 
        81  15  15 VAL C    C 175.411 0.300 1 
        82  15  15 VAL CA   C  61.167 0.300 1 
        83  15  15 VAL CB   C  32.737 0.300 1 
        84  15  15 VAL CG1  C  20.978 0.300 2 
        85  15  15 VAL CG2  C  20.762 0.300 2 
        86  15  15 VAL N    N 128.170 0.300 1 
        87  16  16 ILE H    H   8.803 0.030 1 
        88  16  16 ILE HA   H   4.381 0.030 1 
        89  16  16 ILE HB   H   1.609 0.030 1 
        90  16  16 ILE HG12 H   1.455 0.030 2 
        91  16  16 ILE HG13 H   0.975 0.030 2 
        92  16  16 ILE HG2  H   1.038 0.030 1 
        93  16  16 ILE HD1  H   0.616 0.030 1 
        94  16  16 ILE C    C 173.434 0.300 1 
        95  16  16 ILE CA   C  60.537 0.300 1 
        96  16  16 ILE CB   C  40.355 0.300 1 
        97  16  16 ILE CG1  C  27.611 0.300 1 
        98  16  16 ILE CG2  C  20.471 0.300 1 
        99  16  16 ILE CD1  C  15.273 0.300 1 
       100  16  16 ILE N    N 126.452 0.300 1 
       101  17  17 HIS H    H   8.581 0.030 1 
       102  17  17 HIS HA   H   5.677 0.030 1 
       103  17  17 HIS HB2  H   3.132 0.030 2 
       104  17  17 HIS HB3  H   2.965 0.030 2 
       105  17  17 HIS HD2  H   7.036 0.030 1 
       106  17  17 HIS HE1  H   7.752 0.030 1 
       107  17  17 HIS C    C 174.539 0.300 1 
       108  17  17 HIS CA   C  55.059 0.300 1 
       109  17  17 HIS CB   C  33.244 0.300 1 
       110  17  17 HIS CD2  C 119.483 0.300 1 
       111  17  17 HIS CE1  C 138.334 0.300 1 
       112  17  17 HIS N    N 125.148 0.300 1 
       113  18  18 ARG H    H   9.294 0.030 1 
       114  18  18 ARG HA   H   4.979 0.030 1 
       115  18  18 ARG HB2  H   1.645 0.030 2 
       116  18  18 ARG HB3  H   0.893 0.030 2 
       117  18  18 ARG HG2  H   1.185 0.030 1 
       118  18  18 ARG HG3  H   1.185 0.030 1 
       119  18  18 ARG HD2  H   3.022 0.030 2 
       120  18  18 ARG HD3  H   0.395 0.030 2 
       121  18  18 ARG HE   H   5.665 0.030 1 
       122  18  18 ARG C    C 174.733 0.300 1 
       123  18  18 ARG CA   C  52.819 0.300 1 
       124  18  18 ARG CB   C  34.174 0.300 1 
       125  18  18 ARG CG   C  26.512 0.300 1 
       126  18  18 ARG CD   C  41.530 0.300 1 
       127  18  18 ARG N    N 120.180 0.300 1 
       128  18  18 ARG NE   N  85.877 0.300 1 
       129  19  19 LYS H    H   9.151 0.030 1 
       130  19  19 LYS HA   H   4.528 0.030 1 
       131  19  19 LYS HB2  H   1.957 0.030 2 
       132  19  19 LYS HB3  H   1.620 0.030 2 
       133  19  19 LYS HG2  H   1.543 0.030 2 
       134  19  19 LYS HG3  H   1.476 0.030 2 
       135  19  19 LYS HD2  H   1.697 0.030 1 
       136  19  19 LYS HD3  H   1.697 0.030 1 
       137  19  19 LYS HE2  H   3.003 0.030 1 
       138  19  19 LYS HE3  H   3.003 0.030 1 
       139  19  19 LYS C    C 178.001 0.300 1 
       140  19  19 LYS CA   C  55.177 0.300 1 
       141  19  19 LYS CB   C  33.485 0.300 1 
       142  19  19 LYS CG   C  25.466 0.300 1 
       143  19  19 LYS CD   C  29.105 0.300 1 
       144  19  19 LYS CE   C  42.086 0.300 1 
       145  19  19 LYS N    N 119.139 0.300 1 
       146  20  20 GLU H    H   8.767 0.030 1 
       147  20  20 GLU HA   H   3.805 0.030 1 
       148  20  20 GLU HB2  H   1.973 0.030 2 
       149  20  20 GLU HB3  H   2.031 0.030 2 
       150  20  20 GLU HG2  H   2.314 0.030 1 
       151  20  20 GLU HG3  H   2.314 0.030 1 
       152  20  20 GLU C    C 176.912 0.300 1 
       153  20  20 GLU CA   C  59.126 0.300 1 
       154  20  20 GLU CB   C  29.598 0.300 1 
       155  20  20 GLU CG   C  35.988 0.300 1 
       156  20  20 GLU N    N 118.281 0.300 1 
       157  21  21 ASN H    H   8.172 0.030 1 
       158  21  21 ASN HA   H   4.602 0.030 1 
       159  21  21 ASN HB2  H   3.019 0.030 2 
       160  21  21 ASN HB3  H   2.800 0.030 2 
       161  21  21 ASN HD21 H   6.823 0.030 2 
       162  21  21 ASN HD22 H   7.560 0.030 2 
       163  21  21 ASN C    C 173.886 0.300 1 
       164  21  21 ASN CA   C  53.076 0.300 1 
       165  21  21 ASN CB   C  37.638 0.300 1 
       166  21  21 ASN N    N 113.327 0.300 1 
       167  21  21 ASN ND2  N 112.435 0.300 1 
       168  22  22 GLU H    H   7.543 0.030 1 
       169  22  22 GLU HA   H   4.662 0.030 1 
       170  22  22 GLU HB2  H   1.956 0.030 2 
       171  22  22 GLU HB3  H   2.018 0.030 2 
       172  22  22 GLU HG2  H   2.332 0.030 2 
       173  22  22 GLU HG3  H   2.258 0.030 2 
       174  22  22 GLU C    C 175.387 0.300 1 
       175  22  22 GLU CA   C  53.998 0.300 1 
       176  22  22 GLU CB   C  33.032 0.300 1 
       177  22  22 GLU CG   C  35.329 0.300 1 
       178  22  22 GLU N    N 118.806 0.300 1 
       179  23  23 GLY H    H   8.202 0.030 1 
       180  23  23 GLY HA2  H   4.246 0.030 2 
       181  23  23 GLY HA3  H   3.691 0.030 2 
       182  23  23 GLY C    C 174.951 0.300 1 
       183  23  23 GLY CA   C  43.753 0.300 1 
       184  23  23 GLY N    N 107.166 0.300 1 
       185  24  24 PHE H    H   8.703 0.030 1 
       186  24  24 PHE HA   H   4.112 0.030 1 
       187  24  24 PHE HB2  H   3.047 0.030 2 
       188  24  24 PHE HB3  H   2.687 0.030 2 
       189  24  24 PHE HD1  H   7.116 0.030 1 
       190  24  24 PHE HD2  H   7.116 0.030 1 
       191  24  24 PHE HE1  H   7.433 0.030 1 
       192  24  24 PHE HE2  H   7.433 0.030 1 
       193  24  24 PHE HZ   H   7.189 0.030 1 
       194  24  24 PHE C    C 177.952 0.300 1 
       195  24  24 PHE CA   C  63.041 0.300 1 
       196  24  24 PHE CB   C  40.805 0.300 1 
       197  24  24 PHE CD1  C 131.231 0.300 1 
       198  24  24 PHE CD2  C 131.231 0.300 1 
       199  24  24 PHE CE1  C 132.624 0.300 1 
       200  24  24 PHE CE2  C 132.624 0.300 1 
       201  24  24 PHE CZ   C 130.634 0.300 1 
       202  24  24 PHE N    N 116.048 0.300 1 
       203  25  25 GLY H    H   8.396 0.030 1 
       204  25  25 GLY HA2  H   4.821 0.030 2 
       205  25  25 GLY HA3  H   3.620 0.030 2 
       206  25  25 GLY C    C 173.209 0.300 1 
       207  25  25 GLY CA   C  45.615 0.300 1 
       208  25  25 GLY N    N 101.887 0.300 1 
       209  26  26 PHE H    H   6.742 0.030 1 
       210  26  26 PHE HA   H   5.760 0.030 1 
       211  26  26 PHE HB2  H   2.988 0.030 2 
       212  26  26 PHE HB3  H   2.579 0.030 2 
       213  26  26 PHE HD1  H   6.772 0.030 1 
       214  26  26 PHE HD2  H   6.772 0.030 1 
       215  26  26 PHE HE1  H   6.854 0.030 1 
       216  26  26 PHE HE2  H   6.854 0.030 1 
       217  26  26 PHE HZ   H   6.824 0.030 1 
       218  26  26 PHE C    C 173.523 0.300 1 
       219  26  26 PHE CA   C  53.694 0.300 1 
       220  26  26 PHE CB   C  42.112 0.300 1 
       221  26  26 PHE CD1  C 131.725 0.300 1 
       222  26  26 PHE CD2  C 131.725 0.300 1 
       223  26  26 PHE CE1  C 130.676 0.300 1 
       224  26  26 PHE CE2  C 130.676 0.300 1 
       225  26  26 PHE CZ   C 129.112 0.300 1 
       226  26  26 PHE N    N 111.123 0.300 1 
       227  27  27 VAL H    H   8.303 0.030 1 
       228  27  27 VAL HA   H   4.407 0.030 1 
       229  27  27 VAL HB   H   1.909 0.030 1 
       230  27  27 VAL HG1  H   0.973 0.030 1 
       231  27  27 VAL HG2  H   0.832 0.030 1 
       232  27  27 VAL C    C 175.895 0.300 1 
       233  27  27 VAL CA   C  61.258 0.300 1 
       234  27  27 VAL CB   C  35.054 0.300 1 
       235  27  27 VAL CG1  C  20.891 0.300 2 
       236  27  27 VAL CG2  C  20.448 0.300 2 
       237  27  27 VAL N    N 121.970 0.300 1 
       238  28  28 ILE H    H   9.406 0.030 1 
       239  28  28 ILE HA   H   4.752 0.030 1 
       240  28  28 ILE HB   H   1.776 0.030 1 
       241  28  28 ILE HG12 H   1.748 0.030 2 
       242  28  28 ILE HG13 H   0.855 0.030 2 
       243  28  28 ILE HG2  H   0.929 0.030 1 
       244  28  28 ILE HD1  H   0.698 0.030 1 
       245  28  28 ILE C    C 175.314 0.300 1 
       246  28  28 ILE CA   C  60.992 0.300 1 
       247  28  28 ILE CB   C  39.504 0.300 1 
       248  28  28 ILE CG1  C  28.313 0.300 1 
       249  28  28 ILE CG2  C  17.347 0.300 1 
       250  28  28 ILE CD1  C  14.045 0.300 1 
       251  28  28 ILE N    N 129.550 0.300 1 
       252  29  29 ILE H    H   9.331 0.030 1 
       253  29  29 ILE HA   H   4.671 0.030 1 
       254  29  29 ILE HB   H   1.812 0.030 1 
       255  29  29 ILE HG12 H   1.037 0.030 2 
       256  29  29 ILE HG13 H   1.443 0.030 2 
       257  29  29 ILE HG2  H   0.918 0.030 1 
       258  29  29 ILE HD1  H   0.891 0.030 1 
       259  29  29 ILE C    C 175.289 0.300 1 
       260  29  29 ILE CA   C  59.626 0.300 1 
       261  29  29 ILE CB   C  40.805 0.300 1 
       262  29  29 ILE CG1  C  26.852 0.300 1 
       263  29  29 ILE CG2  C  17.474 0.300 1 
       264  29  29 ILE CD1  C  13.283 0.300 1 
       265  29  29 ILE N    N 125.153 0.300 1 
       266  30  30 SER H    H   8.656 0.030 1 
       267  30  30 SER HA   H   5.287 0.030 1 
       268  30  30 SER HB2  H   3.949 0.030 2 
       269  30  30 SER HB3  H   3.643 0.030 2 
       270  30  30 SER C    C 174.346 0.300 1 
       271  30  30 SER CA   C  57.742 0.300 1 
       272  30  30 SER CB   C  63.985 0.300 1 
       273  30  30 SER N    N 121.374 0.300 1 
       274  31  31 SER H    H   8.572 0.030 1 
       275  31  31 SER HA   H   4.532 0.030 1 
       276  31  31 SER HB2  H   3.806 0.030 1 
       277  31  31 SER HB3  H   3.806 0.030 1 
       278  31  31 SER C    C 173.768 0.300 1 
       279  31  31 SER CA   C  57.743 0.300 1 
       280  31  31 SER CB   C  64.245 0.300 1 
       281  31  31 SER N    N 119.506 0.300 1 
       282  32  32 LEU H    H   8.411 0.030 1 
       283  32  32 LEU HA   H   4.324 0.030 1 
       284  32  32 LEU HB2  H   1.660 0.030 2 
       285  32  32 LEU HB3  H   1.595 0.030 2 
       286  32  32 LEU HG   H   1.543 0.030 1 
       287  32  32 LEU HD1  H   0.931 0.030 1 
       288  32  32 LEU HD2  H   0.875 0.030 1 
       289  32  32 LEU C    C 176.791 0.300 1 
       290  32  32 LEU CA   C  55.329 0.300 1 
       291  32  32 LEU CB   C  42.393 0.300 1 
       292  32  32 LEU CG   C  27.006 0.300 1 
       293  32  32 LEU CD1  C  24.947 0.300 2 
       294  32  32 LEU CD2  C  23.548 0.300 2 
       295  32  32 LEU N    N 124.010 0.300 1 
       296  33  33 ASN H    H   8.357 0.030 1 
       297  33  33 ASN HA   H   4.778 0.030 1 
       298  33  33 ASN HB2  H   2.695 0.030 2 
       299  33  33 ASN HB3  H   2.795 0.030 2 
       300  33  33 ASN HD21 H   6.907 0.030 2 
       301  33  33 ASN HD22 H   7.572 0.030 2 
       302  33  33 ASN C    C 174.599 0.300 1 
       303  33  33 ASN CA   C  53.216 0.300 1 
       304  33  33 ASN CB   C  39.046 0.300 1 
       305  33  33 ASN N    N 118.992 0.300 1 
       306  33  33 ASN ND2  N 112.798 0.300 1 
       307  34  34 ARG H    H   8.321 0.030 1 
       308  34  34 ARG HA   H   4.647 0.030 1 
       309  34  34 ARG HB2  H   1.892 0.030 2 
       310  34  34 ARG HB3  H   1.738 0.030 2 
       311  34  34 ARG HG2  H   1.647 0.030 1 
       312  34  34 ARG HG3  H   1.647 0.030 1 
       313  34  34 ARG HD2  H   3.220 0.030 1 
       314  34  34 ARG HD3  H   3.220 0.030 1 
       315  34  34 ARG C    C 174.201 0.300 1 
       316  34  34 ARG CA   C  53.917 0.300 1 
       317  34  34 ARG CB   C  30.203 0.300 1 
       318  34  34 ARG CG   C  26.808 0.300 1 
       319  34  34 ARG CD   C  43.544 0.300 1 
       320  34  34 ARG N    N 122.285 0.300 1 
       321  35  35 PRO HA   H   4.421 0.030 1 
       322  35  35 PRO HB2  H   2.291 0.030 2 
       323  35  35 PRO HB3  H   1.955 0.030 2 
       324  35  35 PRO HG2  H   1.994 0.030 1 
       325  35  35 PRO HG3  H   1.994 0.030 1 
       326  35  35 PRO HD2  H   3.761 0.030 2 
       327  35  35 PRO HD3  H   3.687 0.030 2 
       328  35  35 PRO C    C 177.245 0.300 1 
       329  35  35 PRO CA   C  63.645 0.300 1 
       330  35  35 PRO CB   C  32.008 0.300 1 
       331  35  35 PRO CG   C  27.418 0.300 1 
       332  35  35 PRO CD   C  50.619 0.300 1 
       333  36  36 GLU H    H   8.792 0.030 1 
       334  36  36 GLU HA   H   4.300 0.030 1 
       335  36  36 GLU HB2  H   2.095 0.030 2 
       336  36  36 GLU HB3  H   1.982 0.030 2 
       337  36  36 GLU HG2  H   2.309 0.030 1 
       338  36  36 GLU HG3  H   2.309 0.030 1 
       339  36  36 GLU C    C 176.766 0.300 1 
       340  36  36 GLU CA   C  56.937 0.300 1 
       341  36  36 GLU CB   C  29.950 0.300 1 
       342  36  36 GLU CG   C  36.400 0.300 1 
       343  36  36 GLU N    N 120.497 0.300 1 
       344  37  37 SER H    H   8.289 0.030 1 
       345  37  37 SER HA   H   4.498 0.030 1 
       346  37  37 SER HB2  H   3.920 0.030 1 
       347  37  37 SER HB3  H   3.920 0.030 1 
       348  37  37 SER C    C 175.169 0.300 1 
       349  37  37 SER CA   C  58.785 0.300 1 
       350  37  37 SER CB   C  63.795 0.300 1 
       351  37  37 SER N    N 115.973 0.300 1 
       352  38  38 GLY H    H   8.423 0.030 1 
       353  38  38 GLY HA2  H   4.105 0.030 2 
       354  38  38 GLY HA3  H   3.945 0.030 2 
       355  38  38 GLY C    C 174.201 0.300 1 
       356  38  38 GLY CA   C  45.592 0.300 1 
       357  38  38 GLY N    N 110.902 0.300 1 
       358  39  39 SER H    H   8.132 0.030 1 
       359  39  39 SER HA   H   4.567 0.030 1 
       360  39  39 SER HB2  H   3.885 0.030 1 
       361  39  39 SER HB3  H   3.885 0.030 1 
       362  39  39 SER C    C 174.709 0.300 1 
       363  39  39 SER CA   C  58.190 0.300 1 
       364  39  39 SER CB   C  64.125 0.300 1 
       365  39  39 SER N    N 115.206 0.300 1 
       366  40  40 THR H    H   8.249 0.030 1 
       367  40  40 THR HA   H   4.379 0.030 1 
       368  40  40 THR HB   H   4.233 0.030 1 
       369  40  40 THR HG2  H   1.200 0.030 1 
       370  40  40 THR C    C 174.370 0.300 1 
       371  40  40 THR CA   C  62.112 0.300 1 
       372  40  40 THR CB   C  69.694 0.300 1 
       373  40  40 THR CG2  C  21.720 0.300 1 
       374  40  40 THR N    N 116.153 0.300 1 
       375  41  41 ILE H    H   8.158 0.030 1 
       376  41  41 ILE HA   H   4.261 0.030 1 
       377  41  41 ILE HB   H   1.849 0.030 1 
       378  41  41 ILE HG12 H   1.155 0.030 2 
       379  41  41 ILE HG13 H   1.467 0.030 2 
       380  41  41 ILE HG2  H   0.860 0.030 1 
       381  41  41 ILE HD1  H   0.840 0.030 1 
       382  41  41 ILE C    C 175.847 0.300 1 
       383  41  41 ILE CA   C  60.992 0.300 1 
       384  41  41 ILE CB   C  38.902 0.300 1 
       385  41  41 ILE CG1  C  27.295 0.300 1 
       386  41  41 ILE CG2  C  17.502 0.300 1 
       387  41  41 ILE CD1  C  13.117 0.300 1 
       388  41  41 ILE N    N 122.810 0.300 1 
       389  42  42 THR H    H   8.269 0.030 1 
       390  42  42 THR HA   H   4.346 0.030 1 
       391  42  42 THR HB   H   4.095 0.030 1 
       392  42  42 THR HG2  H   1.136 0.030 1 
       393  42  42 THR C    C 173.886 0.300 1 
       394  42  42 THR CA   C  61.904 0.300 1 
       395  42  42 THR CB   C  69.696 0.300 1 
       396  42  42 THR CG2  C  21.772 0.300 1 
       397  42  42 THR N    N 119.857 0.300 1 
       398  43  43 VAL H    H   8.164 0.030 1 
       399  43  43 VAL HA   H   4.463 0.030 1 
       400  43  43 VAL HB   H   2.068 0.030 1 
       401  43  43 VAL HG1  H   0.964 0.030 1 
       402  43  43 VAL HG2  H   0.906 0.030 1 
       403  43  43 VAL C    C 174.756 0.300 1 
       404  43  43 VAL CA   C  59.422 0.300 1 
       405  43  43 VAL CB   C  32.647 0.300 1 
       406  43  43 VAL CG1  C  22.526 0.300 2 
       407  43  43 VAL CG2  C  20.871 0.300 2 
       408  43  43 VAL N    N 123.387 0.300 1 
       409  44  44 PRO HA   H   4.332 0.030 1 
       410  44  44 PRO HB2  H   2.071 0.030 2 
       411  44  44 PRO HB3  H   1.574 0.030 2 
       412  44  44 PRO HG2  H   1.927 0.030 2 
       413  44  44 PRO HG3  H   1.553 0.030 2 
       414  44  44 PRO HD2  H   3.688 0.030 2 
       415  44  44 PRO HD3  H   3.810 0.030 2 
       416  44  44 PRO C    C 175.458 0.300 1 
       417  44  44 PRO CA   C  64.048 0.300 1 
       418  44  44 PRO CB   C  32.477 0.300 1 
       419  44  44 PRO CG   C  26.606 0.300 1 
       420  44  44 PRO CD   C  51.381 0.300 1 
       421  45  45 HIS H    H   7.423 0.030 1 
       422  45  45 HIS HA   H   5.290 0.030 1 
       423  45  45 HIS HB2  H   3.172 0.030 2 
       424  45  45 HIS HB3  H   2.713 0.030 2 
       425  45  45 HIS HD2  H   6.800 0.030 1 
       426  45  45 HIS HE1  H   7.843 0.030 1 
       427  45  45 HIS C    C 174.975 0.300 1 
       428  45  45 HIS CA   C  55.950 0.300 1 
       429  45  45 HIS CB   C  32.492 0.300 1 
       430  45  45 HIS CD2  C 118.072 0.300 1 
       431  45  45 HIS CE1  C 139.770 0.300 1 
       432  45  45 HIS N    N 118.254 0.300 1 
       433  46  46 LYS H    H   9.045 0.030 1 
       434  46  46 LYS HA   H   5.520 0.030 1 
       435  46  46 LYS HB2  H   1.560 0.030 1 
       436  46  46 LYS HB3  H   1.560 0.030 1 
       437  46  46 LYS HG2  H   1.347 0.030 2 
       438  46  46 LYS HG3  H   1.067 0.030 2 
       439  46  46 LYS HD2  H   1.585 0.030 1 
       440  46  46 LYS HD3  H   1.585 0.030 1 
       441  46  46 LYS HE2  H   2.877 0.030 1 
       442  46  46 LYS HE3  H   2.877 0.030 1 
       443  46  46 LYS C    C 175.435 0.300 1 
       444  46  46 LYS CA   C  53.822 0.300 1 
       445  46  46 LYS CB   C  37.391 0.300 1 
       446  46  46 LYS CG   C  24.203 0.300 1 
       447  46  46 LYS CD   C  30.170 0.300 1 
       448  46  46 LYS CE   C  42.173 0.300 1 
       449  46  46 LYS N    N 120.269 0.300 1 
       450  47  47 ILE H    H   8.758 0.030 1 
       451  47  47 ILE HA   H   4.294 0.030 1 
       452  47  47 ILE HB   H   2.361 0.030 1 
       453  47  47 ILE HG12 H   1.432 0.030 2 
       454  47  47 ILE HG13 H   1.305 0.030 2 
       455  47  47 ILE HG2  H   0.810 0.030 1 
       456  47  47 ILE HD1  H   0.515 0.030 1 
       457  47  47 ILE C    C 177.057 0.300 1 
       458  47  47 ILE CA   C  60.363 0.300 1 
       459  47  47 ILE CB   C  35.582 0.300 1 
       460  47  47 ILE CG1  C  26.677 0.300 1 
       461  47  47 ILE CG2  C  18.359 0.300 1 
       462  47  47 ILE CD1  C  11.348 0.300 1 
       463  47  47 ILE N    N 119.644 0.300 1 
       464  48  48 GLY H    H   9.744 0.030 1 
       465  48  48 GLY HA2  H   4.378 0.030 2 
       466  48  48 GLY HA3  H   3.597 0.030 2 
       467  48  48 GLY C    C 172.797 0.300 1 
       468  48  48 GLY CA   C  45.596 0.300 1 
       469  48  48 GLY N    N 117.612 0.300 1 
       470  49  49 ARG H    H   7.463 0.030 1 
       471  49  49 ARG HA   H   4.394 0.030 1 
       472  49  49 ARG HB2  H   1.878 0.030 2 
       473  49  49 ARG HB3  H   1.505 0.030 2 
       474  49  49 ARG HG2  H   1.378 0.030 2 
       475  49  49 ARG HG3  H   1.657 0.030 2 
       476  49  49 ARG HD2  H   3.178 0.030 2 
       477  49  49 ARG HD3  H   3.108 0.030 2 
       478  49  49 ARG C    C 173.427 0.300 1 
       479  49  49 ARG CA   C  56.333 0.300 1 
       480  49  49 ARG CB   C  33.820 0.300 1 
       481  49  49 ARG CG   C  27.645 0.300 1 
       482  49  49 ARG CD   C  43.640 0.300 1 
       483  49  49 ARG N    N 118.331 0.300 1 
       484  50  50 ILE H    H   8.630 0.030 1 
       485  50  50 ILE HA   H   4.705 0.030 1 
       486  50  50 ILE HB   H   1.650 0.030 1 
       487  50  50 ILE HG12 H   0.793 0.030 2 
       488  50  50 ILE HG13 H   1.448 0.030 2 
       489  50  50 ILE HG2  H   0.728 0.030 1 
       490  50  50 ILE HD1  H   0.677 0.030 1 
       491  50  50 ILE C    C 175.502 0.300 1 
       492  50  50 ILE CA   C  59.941 0.300 1 
       493  50  50 ILE CB   C  40.434 0.300 1 
       494  50  50 ILE CG1  C  28.256 0.300 1 
       495  50  50 ILE CG2  C  17.080 0.300 1 
       496  50  50 ILE CD1  C  13.531 0.300 1 
       497  50  50 ILE N    N 125.336 0.300 1 
       498  51  51 ILE H    H   9.031 0.030 1 
       499  51  51 ILE HA   H   4.009 0.030 1 
       500  51  51 ILE HB   H   1.781 0.030 1 
       501  51  51 ILE HG12 H   1.435 0.030 2 
       502  51  51 ILE HG13 H   1.211 0.030 2 
       503  51  51 ILE HG2  H   1.011 0.030 1 
       504  51  51 ILE HD1  H   0.741 0.030 1 
       505  51  51 ILE C    C 177.444 0.300 1 
       506  51  51 ILE CA   C  60.848 0.300 1 
       507  51  51 ILE CB   C  37.450 0.300 1 
       508  51  51 ILE CG1  C  28.310 0.300 1 
       509  51  51 ILE CG2  C  17.062 0.300 1 
       510  51  51 ILE CD1  C  11.467 0.300 1 
       511  51  51 ILE N    N 129.110 0.300 1 
       512  52  52 ASP H    H   9.089 0.030 1 
       513  52  52 ASP HA   H   4.394 0.030 1 
       514  52  52 ASP HB2  H   2.666 0.030 1 
       515  52  52 ASP HB3  H   2.666 0.030 1 
       516  52  52 ASP C    C 177.517 0.300 1 
       517  52  52 ASP CA   C  56.368 0.300 1 
       518  52  52 ASP CB   C  40.824 0.300 1 
       519  52  52 ASP N    N 132.813 0.300 1 
       520  53  53 GLY H    H  10.753 0.030 1 
       521  53  53 GLY HA2  H   4.260 0.030 2 
       522  53  53 GLY HA3  H   3.827 0.030 2 
       523  53  53 GLY C    C 173.911 0.300 1 
       524  53  53 GLY CA   C  45.671 0.300 1 
       525  53  53 GLY N    N 114.709 0.300 1 
       526  54  54 SER H    H   7.871 0.030 1 
       527  54  54 SER HA   H   4.847 0.030 1 
       528  54  54 SER HB2  H   4.360 0.030 2 
       529  54  54 SER HB3  H   3.759 0.030 2 
       530  54  54 SER C    C 173.281 0.300 1 
       531  54  54 SER CA   C  58.050 0.300 1 
       532  54  54 SER CB   C  63.542 0.300 1 
       533  54  54 SER N    N 117.257 0.300 1 
       534  55  55 PRO HA   H   4.291 0.030 1 
       535  55  55 PRO HB2  H   2.938 0.030 2 
       536  55  55 PRO HB3  H   2.229 0.030 2 
       537  55  55 PRO HG2  H   2.241 0.030 2 
       538  55  55 PRO HG3  H   2.314 0.030 2 
       539  55  55 PRO HD2  H   3.985 0.030 2 
       540  55  55 PRO HD3  H   3.922 0.030 2 
       541  55  55 PRO C    C 179.153 0.300 1 
       542  55  55 PRO CA   C  66.883 0.300 1 
       543  55  55 PRO CB   C  32.114 0.300 1 
       544  55  55 PRO CG   C  29.066 0.300 1 
       545  55  55 PRO CD   C  50.861 0.300 1 
       546  56  56 ALA H    H   8.384 0.030 1 
       547  56  56 ALA HA   H   4.140 0.030 1 
       548  56  56 ALA HB   H   1.530 0.030 1 
       549  56  56 ALA C    C 177.928 0.300 1 
       550  56  56 ALA CA   C  54.872 0.300 1 
       551  56  56 ALA CB   C  19.542 0.300 1 
       552  56  56 ALA N    N 117.461 0.300 1 
       553  57  57 ASP H    H   7.623 0.030 1 
       554  57  57 ASP HA   H   4.472 0.030 1 
       555  57  57 ASP HB2  H   3.081 0.030 2 
       556  57  57 ASP HB3  H   2.994 0.030 2 
       557  57  57 ASP C    C 178.339 0.300 1 
       558  57  57 ASP CA   C  56.403 0.300 1 
       559  57  57 ASP CB   C  42.796 0.300 1 
       560  57  57 ASP N    N 119.365 0.300 1 
       561  58  58 ARG H    H   8.594 0.030 1 
       562  58  58 ARG HA   H   4.050 0.030 1 
       563  58  58 ARG HB2  H   1.924 0.030 1 
       564  58  58 ARG HB3  H   1.924 0.030 1 
       565  58  58 ARG HG2  H   1.790 0.030 2 
       566  58  58 ARG HG3  H   1.658 0.030 2 
       567  58  58 ARG HD2  H   3.325 0.030 2 
       568  58  58 ARG HD3  H   3.200 0.030 2 
       569  58  58 ARG C    C 178.315 0.300 1 
       570  58  58 ARG CA   C  58.838 0.300 1 
       571  58  58 ARG CB   C  30.751 0.300 1 
       572  58  58 ARG CG   C  28.417 0.300 1 
       573  58  58 ARG CD   C  43.817 0.300 1 
       574  58  58 ARG N    N 116.018 0.300 1 
       575  59  59 CYS H    H   7.740 0.030 1 
       576  59  59 CYS HA   H   4.621 0.030 1 
       577  59  59 CYS HB2  H   3.268 0.030 2 
       578  59  59 CYS HB3  H   3.140 0.030 2 
       579  59  59 CYS C    C 174.612 0.300 1 
       580  59  59 CYS CA   C  59.731 0.300 1 
       581  59  59 CYS CB   C  27.171 0.300 1 
       582  59  59 CYS N    N 113.869 0.300 1 
       583  60  60 ALA H    H   7.737 0.030 1 
       584  60  60 ALA HA   H   4.383 0.030 1 
       585  60  60 ALA HB   H   1.561 0.030 1 
       586  60  60 ALA C    C 177.420 0.300 1 
       587  60  60 ALA CA   C  54.503 0.300 1 
       588  60  60 ALA CB   C  17.312 0.300 1 
       589  60  60 ALA N    N 121.073 0.300 1 
       590  61  61 LYS H    H   7.689 0.030 1 
       591  61  61 LYS HA   H   4.546 0.030 1 
       592  61  61 LYS HB2  H   2.123 0.030 2 
       593  61  61 LYS HB3  H   1.495 0.030 2 
       594  61  61 LYS HG2  H   1.494 0.030 2 
       595  61  61 LYS HG3  H   1.650 0.030 2 
       596  61  61 LYS HD2  H   1.711 0.030 2 
       597  61  61 LYS HD3  H   1.785 0.030 2 
       598  61  61 LYS HE2  H   3.081 0.030 2 
       599  61  61 LYS HE3  H   2.992 0.030 2 
       600  61  61 LYS C    C 174.879 0.300 1 
       601  61  61 LYS CA   C  56.085 0.300 1 
       602  61  61 LYS CB   C  35.853 0.300 1 
       603  61  61 LYS CG   C  25.016 0.300 1 
       604  61  61 LYS CD   C  29.254 0.300 1 
       605  61  61 LYS CE   C  42.443 0.300 1 
       606  61  61 LYS N    N 117.959 0.300 1 
       607  62  62 LEU H    H   7.909 0.030 1 
       608  62  62 LEU HA   H   4.752 0.030 1 
       609  62  62 LEU HB2  H   1.329 0.030 1 
       610  62  62 LEU HB3  H   1.329 0.030 1 
       611  62  62 LEU HG   H   1.437 0.030 1 
       612  62  62 LEU HD1  H   0.682 0.030 1 
       613  62  62 LEU HD2  H   0.589 0.030 1 
       614  62  62 LEU C    C 175.048 0.300 1 
       615  62  62 LEU CA   C  53.356 0.300 1 
       616  62  62 LEU CB   C  46.806 0.300 1 
       617  62  62 LEU CG   C  26.825 0.300 1 
       618  62  62 LEU CD1  C  25.049 0.300 2 
       619  62  62 LEU CD2  C  24.547 0.300 2 
       620  62  62 LEU N    N 119.840 0.300 1 
       621  63  63 LYS H    H   9.179 0.030 1 
       622  63  63 LYS HA   H   4.543 0.030 1 
       623  63  63 LYS HB2  H   1.792 0.030 2 
       624  63  63 LYS HB3  H   1.686 0.030 2 
       625  63  63 LYS HG2  H   1.392 0.030 2 
       626  63  63 LYS HG3  H   1.351 0.030 1 
       627  63  63 LYS HD2  H   1.702 0.030 1 
       628  63  63 LYS HD3  H   1.702 0.030 1 
       629  63  63 LYS HE2  H   2.986 0.030 1 
       630  63  63 LYS HE3  H   2.986 0.030 1 
       631  63  63 LYS C    C 175.798 0.300 1 
       632  63  63 LYS CA   C  54.406 0.300 1 
       633  63  63 LYS CB   C  35.824 0.300 1 
       634  63  63 LYS CG   C  24.271 0.300 1 
       635  63  63 LYS CD   C  29.149 0.300 1 
       636  63  63 LYS CE   C  42.334 0.300 1 
       637  63  63 LYS N    N 124.476 0.300 1 
       638  64  64 VAL H    H   8.434 0.030 1 
       639  64  64 VAL HA   H   3.328 0.030 1 
       640  64  64 VAL HB   H   1.883 0.030 1 
       641  64  64 VAL HG1  H   0.951 0.030 1 
       642  64  64 VAL HG2  H   0.927 0.030 1 
       643  64  64 VAL C    C 177.057 0.300 1 
       644  64  64 VAL CA   C  65.447 0.300 1 
       645  64  64 VAL CB   C  31.260 0.300 1 
       646  64  64 VAL CG1  C  23.143 0.300 2 
       647  64  64 VAL CG2  C  21.229 0.300 2 
       648  64  64 VAL N    N 121.251 0.300 1 
       649  65  65 GLY H    H   9.090 0.030 1 
       650  65  65 GLY HA2  H   4.627 0.030 2 
       651  65  65 GLY HA3  H   3.419 0.030 2 
       652  65  65 GLY C    C 174.298 0.300 1 
       653  65  65 GLY CA   C  44.717 0.300 1 
       654  65  65 GLY N    N 116.141 0.300 1 
       655  66  66 ASP H    H   8.025 0.030 1 
       656  66  66 ASP HA   H   4.553 0.030 1 
       657  66  66 ASP HB2  H   2.677 0.030 2 
       658  66  66 ASP HB3  H   2.301 0.030 2 
       659  66  66 ASP C    C 176.186 0.300 1 
       660  66  66 ASP CA   C  56.464 0.300 1 
       661  66  66 ASP CB   C  40.946 0.300 1 
       662  66  66 ASP N    N 122.695 0.300 1 
       663  67  67 ARG H    H   8.305 0.030 1 
       664  67  67 ARG HA   H   4.867 0.030 1 
       665  67  67 ARG HB2  H   1.950 0.030 2 
       666  67  67 ARG HB3  H   1.746 0.030 2 
       667  67  67 ARG HG2  H   1.846 0.030 2 
       668  67  67 ARG HG3  H   1.740 0.030 2 
       669  67  67 ARG HD2  H   3.306 0.030 2 
       670  67  67 ARG HD3  H   3.193 0.030 2 
       671  67  67 ARG HE   H   8.532 0.030 1 
       672  67  67 ARG C    C 175.677 0.300 1 
       673  67  67 ARG CA   C  55.353 0.300 1 
       674  67  67 ARG CB   C  31.740 0.300 1 
       675  67  67 ARG CG   C  28.208 0.300 1 
       676  67  67 ARG CD   C  43.424 0.300 1 
       677  67  67 ARG N    N 121.130 0.300 1 
       678  67  67 ARG NE   N  85.322 0.300 1 
       679  68  68 ILE H    H   8.073 0.030 1 
       680  68  68 ILE HA   H   4.470 0.030 1 
       681  68  68 ILE HB   H   1.553 0.030 1 
       682  68  68 ILE HG12 H   1.373 0.030 2 
       683  68  68 ILE HG13 H   0.802 0.030 2 
       684  68  68 ILE HG2  H   0.687 0.030 1 
       685  68  68 ILE HD1  H   0.566 0.030 1 
       686  68  68 ILE C    C 173.717 0.300 1 
       687  68  68 ILE CA   C  60.152 0.300 1 
       688  68  68 ILE CB   C  39.816 0.300 1 
       689  68  68 ILE CG1  C  26.835 0.300 1 
       690  68  68 ILE CG2  C  19.230 0.300 1 
       691  68  68 ILE CD1  C  14.361 0.300 1 
       692  68  68 ILE N    N 120.238 0.300 1 
       693  69  69 LEU H    H   9.046 0.030 1 
       694  69  69 LEU HA   H   4.495 0.030 1 
       695  69  69 LEU HB2  H   1.674 0.030 2 
       696  69  69 LEU HB3  H   1.329 0.030 2 
       697  69  69 LEU HG   H   1.591 0.030 1 
       698  69  69 LEU HD1  H   0.852 0.030 1 
       699  69  69 LEU HD2  H   0.855 0.030 1 
       700  69  69 LEU C    C 177.877 0.300 1 
       701  69  69 LEU CA   C  55.773 0.300 1 
       702  69  69 LEU CB   C  44.375 0.300 1 
       703  69  69 LEU CG   C  28.121 0.300 1 
       704  69  69 LEU CD1  C  25.871 0.300 2 
       705  69  69 LEU CD2  C  24.568 0.300 2 
       706  69  69 LEU N    N 123.768 0.300 1 
       707  70  70 ALA H    H   7.624 0.030 1 
       708  70  70 ALA HA   H   5.068 0.030 1 
       709  70  70 ALA HB   H   1.078 0.030 1 
       710  70  70 ALA C    C 174.661 0.300 1 
       711  70  70 ALA CA   C  51.825 0.300 1 
       712  70  70 ALA CB   C  21.946 0.300 1 
       713  70  70 ALA N    N 119.130 0.300 1 
       714  71  71 VAL H    H   8.095 0.030 1 
       715  71  71 VAL HA   H   4.400 0.030 1 
       716  71  71 VAL HB   H   1.766 0.030 1 
       717  71  71 VAL HG1  H   0.670 0.030 1 
       718  71  71 VAL HG2  H   0.614 0.030 1 
       719  71  71 VAL C    C 175.314 0.300 1 
       720  71  71 VAL CA   C  60.852 0.300 1 
       721  71  71 VAL CB   C  34.251 0.300 1 
       722  71  71 VAL CG1  C  20.780 0.300 1 
       723  71  71 VAL CG2  C  20.780 0.300 1 
       724  71  71 VAL N    N 119.132 0.300 1 
       725  72  72 ASN H    H   9.942 0.030 1 
       726  72  72 ASN HA   H   4.455 0.030 1 
       727  72  72 ASN HB2  H   3.285 0.030 2 
       728  72  72 ASN HB3  H   2.851 0.030 2 
       729  72  72 ASN HD21 H   6.756 0.030 2 
       730  72  72 ASN HD22 H   8.029 0.030 2 
       731  72  72 ASN C    C 175.362 0.300 1 
       732  72  72 ASN CA   C  53.776 0.300 1 
       733  72  72 ASN CB   C  36.482 0.300 1 
       734  72  72 ASN N    N 128.100 0.300 1 
       735  72  72 ASN ND2  N 110.759 0.300 1 
       736  73  73 GLY H    H   9.334 0.030 1 
       737  73  73 GLY HA2  H   4.116 0.030 2 
       738  73  73 GLY HA3  H   3.450 0.030 2 
       739  73  73 GLY C    C 173.717 0.300 1 
       740  73  73 GLY CA   C  45.151 0.300 1 
       741  73  73 GLY N    N 103.805 0.300 1 
       742  74  74 GLN H    H   7.984 0.030 1 
       743  74  74 GLN HA   H   4.474 0.030 1 
       744  74  74 GLN HB2  H   2.095 0.030 1 
       745  74  74 GLN HB3  H   2.095 0.030 1 
       746  74  74 GLN HG2  H   2.269 0.030 1 
       747  74  74 GLN HG3  H   2.269 0.030 1 
       748  74  74 GLN HE21 H   7.513 0.030 2 
       749  74  74 GLN HE22 H   6.942 0.030 2 
       750  74  74 GLN C    C 174.879 0.300 1 
       751  74  74 GLN CA   C  53.983 0.300 1 
       752  74  74 GLN CB   C  29.275 0.300 1 
       753  74  74 GLN CG   C  33.492 0.300 1 
       754  74  74 GLN N    N 121.916 0.300 1 
       755  74  74 GLN NE2  N 112.366 0.300 1 
       756  75  75 SER H    H   8.882 0.030 1 
       757  75  75 SER HA   H   4.578 0.030 1 
       758  75  75 SER HB2  H   4.058 0.030 2 
       759  75  75 SER HB3  H   3.870 0.030 2 
       760  75  75 SER C    C 177.638 0.300 1 
       761  75  75 SER CA   C  58.715 0.300 1 
       762  75  75 SER CB   C  63.301 0.300 1 
       763  75  75 SER N    N 120.199 0.300 1 
       764  76  76 ILE H    H   8.027 0.030 1 
       765  76  76 ILE HA   H   4.798 0.030 1 
       766  76  76 ILE HB   H   2.130 0.030 1 
       767  76  76 ILE HG12 H   1.118 0.030 2 
       768  76  76 ILE HG13 H   0.551 0.030 2 
       769  76  76 ILE HG2  H   0.914 0.030 1 
       770  76  76 ILE HD1  H   0.499 0.030 1 
       771  76  76 ILE C    C 177.178 0.300 1 
       772  76  76 ILE CA   C  60.747 0.300 1 
       773  76  76 ILE CB   C  38.284 0.300 1 
       774  76  76 ILE CG1  C  26.703 0.300 1 
       775  76  76 ILE CG2  C  18.024 0.300 1 
       776  76  76 ILE CD1  C  14.218 0.300 1 
       777  76  76 ILE N    N 119.249 0.300 1 
       778  77  77 ILE H    H   7.526 0.030 1 
       779  77  77 ILE HA   H   3.920 0.030 1 
       780  77  77 ILE HB   H   1.980 0.030 1 
       781  77  77 ILE HG12 H   1.370 0.030 2 
       782  77  77 ILE HG13 H   1.699 0.030 2 
       783  77  77 ILE HG2  H   1.060 0.030 1 
       784  77  77 ILE HD1  H   1.009 0.030 1 
       785  77  77 ILE C    C 176.040 0.300 1 
       786  77  77 ILE CA   C  64.845 0.300 1 
       787  77  77 ILE CB   C  37.776 0.300 1 
       788  77  77 ILE CG1  C  27.875 0.300 1 
       789  77  77 ILE CG2  C  17.581 0.300 1 
       790  77  77 ILE CD1  C  13.287 0.300 1 
       791  77  77 ILE N    N 120.074 0.300 1 
       792  78  78 ASN H    H   8.596 0.030 1 
       793  78  78 ASN HA   H   5.011 0.030 1 
       794  78  78 ASN HB2  H   3.065 0.030 2 
       795  78  78 ASN HB3  H   2.621 0.030 2 
       796  78  78 ASN HD21 H   7.624 0.030 2 
       797  78  78 ASN HD22 H   6.936 0.030 2 
       798  78  78 ASN C    C 174.830 0.300 1 
       799  78  78 ASN CA   C  52.831 0.300 1 
       800  78  78 ASN CB   C  39.272 0.300 1 
       801  78  78 ASN N    N 116.401 0.300 1 
       802  78  78 ASN ND2  N 112.996 0.300 1 
       803  79  79 MET H    H   7.673 0.030 1 
       804  79  79 MET HA   H   4.772 0.030 1 
       805  79  79 MET HB2  H   1.974 0.030 1 
       806  79  79 MET HB3  H   1.974 0.030 1 
       807  79  79 MET HG2  H   2.641 0.030 2 
       808  79  79 MET HG3  H   2.749 0.030 2 
       809  79  79 MET HE   H   2.064 0.030 1 
       810  79  79 MET C    C 174.104 0.300 1 
       811  79  79 MET CA   C  54.267 0.300 1 
       812  79  79 MET CB   C  35.036 0.300 1 
       813  79  79 MET CG   C  32.549 0.300 1 
       814  79  79 MET CE   C  16.830 0.300 1 
       815  79  79 MET N    N 122.023 0.300 1 
       816  80  80 PRO HA   H   4.694 0.030 1 
       817  80  80 PRO HB2  H   2.506 0.030 2 
       818  80  80 PRO HB3  H   2.065 0.030 2 
       819  80  80 PRO HG2  H   2.095 0.030 1 
       820  80  80 PRO HG3  H   2.095 0.030 1 
       821  80  80 PRO HD2  H   3.864 0.030 2 
       822  80  80 PRO HD3  H   4.030 0.030 2 
       823  80  80 PRO C    C 173.750 0.300 1 
       824  80  80 PRO CA   C  62.418 0.300 1 
       825  80  80 PRO CB   C  32.712 0.300 1 
       826  80  80 PRO CG   C  27.985 0.300 1 
       827  80  80 PRO CD   C  51.231 0.300 1 
       828  81  81 HIS H    H   9.058 0.030 1 
       829  81  81 HIS HA   H   3.930 0.030 1 
       830  81  81 HIS HB2  H   3.363 0.030 2 
       831  81  81 HIS HB3  H   3.136 0.030 2 
       832  81  81 HIS HD2  H   7.028 0.030 1 
       833  81  81 HIS HE1  H   7.808 0.030 1 
       834  81  81 HIS C    C 176.857 0.300 1 
       835  81  81 HIS CA   C  61.726 0.300 1 
       836  81  81 HIS CB   C  30.747 0.300 1 
       837  81  81 HIS CD2  C 120.928 0.300 1 
       838  81  81 HIS CE1  C 138.478 0.300 1 
       839  81  81 HIS N    N 123.129 0.300 1 
       840  82  82 ALA H    H   9.068 0.030 1 
       841  82  82 ALA HA   H   4.001 0.030 1 
       842  82  82 ALA HB   H   1.479 0.030 1 
       843  82  82 ALA C    C 180.227 0.300 1 
       844  82  82 ALA CA   C  55.293 0.300 1 
       845  82  82 ALA CB   C  18.452 0.300 1 
       846  82  82 ALA N    N 117.320 0.300 1 
       847  83  83 ASP H    H   7.227 0.030 1 
       848  83  83 ASP HA   H   4.483 0.030 1 
       849  83  83 ASP HB2  H   2.731 0.030 1 
       850  83  83 ASP HB3  H   2.731 0.030 1 
       851  83  83 ASP C    C 178.436 0.300 1 
       852  83  83 ASP CA   C  56.684 0.300 1 
       853  83  83 ASP CB   C  40.374 0.300 1 
       854  83  83 ASP N    N 116.910 0.300 1 
       855  84  84 ILE H    H   7.599 0.030 1 
       856  84  84 ILE HA   H   3.532 0.030 1 
       857  84  84 ILE HB   H   1.706 0.030 1 
       858  84  84 ILE HG12 H   1.463 0.030 2 
       859  84  84 ILE HG13 H   0.688 0.030 2 
       860  84  84 ILE HG2  H   0.626 0.030 1 
       861  84  84 ILE HD1  H   0.314 0.030 1 
       862  84  84 ILE C    C 177.444 0.300 1 
       863  84  84 ILE CA   C  65.354 0.300 1 
       864  84  84 ILE CB   C  37.901 0.300 1 
       865  84  84 ILE CG1  C  28.425 0.300 1 
       866  84  84 ILE CG2  C  17.759 0.300 1 
       867  84  84 ILE CD1  C  14.048 0.300 1 
       868  84  84 ILE N    N 123.580 0.300 1 
       869  85  85 VAL H    H   7.762 0.030 1 
       870  85  85 VAL HA   H   3.428 0.030 1 
       871  85  85 VAL HB   H   1.999 0.030 1 
       872  85  85 VAL HG1  H   0.898 0.030 1 
       873  85  85 VAL HG2  H   0.777 0.030 1 
       874  85  85 VAL C    C 178.920 0.300 1 
       875  85  85 VAL CA   C  66.817 0.300 1 
       876  85  85 VAL CB   C  31.572 0.300 1 
       877  85  85 VAL CG1  C  21.128 0.300 2 
       878  85  85 VAL CG2  C  22.274 0.300 2 
       879  85  85 VAL N    N 117.951 0.300 1 
       880  86  86 LYS H    H   7.269 0.030 1 
       881  86  86 LYS HA   H   3.989 0.030 1 
       882  86  86 LYS HB2  H   1.957 0.030 2 
       883  86  86 LYS HB3  H   1.888 0.030 2 
       884  86  86 LYS HG2  H   1.534 0.030 2 
       885  86  86 LYS HG3  H   1.464 0.030 2 
       886  86  86 LYS HD2  H   1.773 0.030 1 
       887  86  86 LYS HD3  H   1.773 0.030 1 
       888  86  86 LYS HE2  H   3.020 0.030 1 
       889  86  86 LYS HE3  H   3.020 0.030 1 
       890  86  86 LYS C    C 177.105 0.300 1 
       891  86  86 LYS CA   C  59.696 0.300 1 
       892  86  86 LYS CB   C  32.545 0.300 1 
       893  86  86 LYS CG   C  25.275 0.300 1 
       894  86  86 LYS CD   C  29.231 0.300 1 
       895  86  86 LYS CE   C  42.416 0.300 1 
       896  86  86 LYS N    N 120.202 0.300 1 
       897  87  87 LEU H    H   7.623 0.030 1 
       898  87  87 LEU HA   H   4.087 0.030 1 
       899  87  87 LEU HB2  H   1.892 0.030 2 
       900  87  87 LEU HB3  H   1.679 0.030 2 
       901  87  87 LEU HG   H   1.725 0.030 1 
       902  87  87 LEU HD1  H   0.837 0.030 1 
       903  87  87 LEU HD2  H   0.796 0.030 1 
       904  87  87 LEU C    C 179.937 0.300 1 
       905  87  87 LEU CA   C  58.120 0.300 1 
       906  87  87 LEU CB   C  42.614 0.300 1 
       907  87  87 LEU CG   C  26.706 0.300 1 
       908  87  87 LEU CD1  C  25.262 0.300 2 
       909  87  87 LEU CD2  C  24.565 0.300 2 
       910  87  87 LEU N    N 119.721 0.300 1 
       911  88  88 ILE H    H   7.794 0.030 1 
       912  88  88 ILE HA   H   3.559 0.030 1 
       913  88  88 ILE HB   H   1.981 0.030 1 
       914  88  88 ILE HG12 H   1.805 0.030 2 
       915  88  88 ILE HG13 H   1.016 0.030 2 
       916  88  88 ILE HG2  H   1.014 0.030 1 
       917  88  88 ILE HD1  H   0.817 0.030 1 
       918  88  88 ILE C    C 178.388 0.300 1 
       919  88  88 ILE CA   C  64.673 0.300 1 
       920  88  88 ILE CB   C  37.706 0.300 1 
       921  88  88 ILE CG1  C  29.869 0.300 1 
       922  88  88 ILE CG2  C  18.218 0.300 1 
       923  88  88 ILE CD1  C  13.489 0.300 1 
       924  88  88 ILE N    N 117.419 0.300 1 
       925  89  89 LYS H    H   8.189 0.030 1 
       926  89  89 LYS HA   H   4.120 0.030 1 
       927  89  89 LYS HB2  H   2.034 0.030 2 
       928  89  89 LYS HB3  H   1.959 0.030 2 
       929  89  89 LYS HG2  H   1.593 0.030 2 
       930  89  89 LYS HG3  H   1.516 0.030 2 
       931  89  89 LYS HD2  H   1.669 0.030 1 
       932  89  89 LYS HD3  H   1.669 0.030 1 
       933  89  89 LYS HE2  H   2.997 0.030 1 
       934  89  89 LYS HE3  H   2.997 0.030 1 
       935  89  89 LYS C    C 178.993 0.300 1 
       936  89  89 LYS CA   C  59.620 0.300 1 
       937  89  89 LYS CB   C  32.317 0.300 1 
       938  89  89 LYS CG   C  25.034 0.300 1 
       939  89  89 LYS CD   C  29.090 0.300 1 
       940  89  89 LYS CE   C  42.004 0.300 1 
       941  89  89 LYS N    N 121.734 0.300 1 
       942  90  90 ASP H    H   8.262 0.030 1 
       943  90  90 ASP HA   H   4.649 0.030 1 
       944  90  90 ASP HB2  H   2.839 0.030 2 
       945  90  90 ASP HB3  H   2.712 0.030 2 
       946  90  90 ASP C    C 176.815 0.300 1 
       947  90  90 ASP CA   C  55.131 0.300 1 
       948  90  90 ASP CB   C  40.576 0.300 1 
       949  90  90 ASP N    N 118.066 0.300 1 
       950  91  91 ALA H    H   7.521 0.030 1 
       951  91  91 ALA HA   H   4.248 0.030 1 
       952  91  91 ALA HB   H   1.719 0.030 1 
       953  91  91 ALA C    C 177.807 0.300 1 
       954  91  91 ALA CA   C  53.877 0.300 1 
       955  91  91 ALA CB   C  19.250 0.300 1 
       956  91  91 ALA N    N 122.529 0.300 1 
       957  92  92 GLY H    H   8.005 0.030 1 
       958  92  92 GLY HA2  H   4.283 0.030 2 
       959  92  92 GLY HA3  H   3.920 0.030 2 
       960  92  92 GLY C    C 175.266 0.300 1 
       961  92  92 GLY CA   C  45.036 0.300 1 
       962  92  92 GLY N    N 104.875 0.300 1 
       963  93  93 LEU H    H   8.854 0.030 1 
       964  93  93 LEU HA   H   4.190 0.030 1 
       965  93  93 LEU HB2  H   2.227 0.030 2 
       966  93  93 LEU HB3  H   1.808 0.030 2 
       967  93  93 LEU HG   H   1.751 0.030 1 
       968  93  93 LEU HD1  H   1.011 0.030 1 
       969  93  93 LEU HD2  H   0.670 0.030 1 
       970  93  93 LEU C    C 175.919 0.300 1 
       971  93  93 LEU CA   C  56.105 0.300 1 
       972  93  93 LEU CB   C  40.624 0.300 1 
       973  93  93 LEU CG   C  27.089 0.300 1 
       974  93  93 LEU CD1  C  25.499 0.300 2 
       975  93  93 LEU CD2  C  21.650 0.300 2 
       976  93  93 LEU N    N 121.915 0.300 1 
       977  94  94 SER H    H   7.715 0.030 1 
       978  94  94 SER HA   H   5.829 0.030 1 
       979  94  94 SER HB2  H   3.701 0.030 2 
       980  94  94 SER HB3  H   3.454 0.030 2 
       981  94  94 SER C    C 172.410 0.300 1 
       982  94  94 SER CA   C  56.870 0.300 1 
       983  94  94 SER CB   C  65.920 0.300 1 
       984  94  94 SER N    N 111.749 0.300 1 
       985  95  95 VAL H    H   8.567 0.030 1 
       986  95  95 VAL HA   H   4.786 0.030 1 
       987  95  95 VAL HB   H   1.505 0.030 1 
       988  95  95 VAL HG1  H   0.596 0.030 1 
       989  95  95 VAL HG2  H   0.133 0.030 1 
       990  95  95 VAL C    C 172.095 0.300 1 
       991  95  95 VAL CA   C  59.486 0.300 1 
       992  95  95 VAL CB   C  35.294 0.300 1 
       993  95  95 VAL CG1  C  21.910 0.300 2 
       994  95  95 VAL CG2  C  19.590 0.300 2 
       995  95  95 VAL N    N 120.055 0.300 1 
       996  96  96 THR H    H   8.267 0.030 1 
       997  96  96 THR HA   H   5.121 0.030 1 
       998  96  96 THR HB   H   3.964 0.030 1 
       999  96  96 THR HG2  H   0.925 0.030 1 
      1000  96  96 THR C    C 174.733 0.300 1 
      1001  96  96 THR CA   C  60.894 0.300 1 
      1002  96  96 THR CB   C  69.634 0.300 1 
      1003  96  96 THR CG2  C  21.185 0.300 1 
      1004  96  96 THR N    N 120.567 0.300 1 
      1005  97  97 LEU H    H   9.516 0.030 1 
      1006  97  97 LEU HA   H   4.971 0.030 1 
      1007  97  97 LEU HB2  H   1.579 0.030 2 
      1008  97  97 LEU HB3  H   1.041 0.030 2 
      1009  97  97 LEU HG   H   1.334 0.030 1 
      1010  97  97 LEU HD1  H   0.524 0.030 1 
      1011  97  97 LEU HD2  H   0.083 0.030 1 
      1012  97  97 LEU C    C 174.516 0.300 1 
      1013  97  97 LEU CA   C  52.620 0.300 1 
      1014  97  97 LEU CB   C  44.311 0.300 1 
      1015  97  97 LEU CG   C  26.672 0.300 1 
      1016  97  97 LEU CD1  C  23.774 0.300 2 
      1017  97  97 LEU CD2  C  25.422 0.300 2 
      1018  97  97 LEU N    N 128.930 0.300 1 
      1019  98  98 ARG H    H   8.224 0.030 1 
      1020  98  98 ARG HA   H   5.329 0.030 1 
      1021  98  98 ARG HB2  H   1.760 0.030 1 
      1022  98  98 ARG HB3  H   1.760 0.030 1 
      1023  98  98 ARG HG2  H   1.556 0.030 2 
      1024  98  98 ARG HG3  H   1.433 0.030 2 
      1025  98  98 ARG HD2  H   2.965 0.030 2 
      1026  98  98 ARG HD3  H   3.176 0.030 2 
      1027  98  98 ARG C    C 175.665 0.300 1 
      1028  98  98 ARG CA   C  55.528 0.300 1 
      1029  98  98 ARG CB   C  31.823 0.300 1 
      1030  98  98 ARG CG   C  27.051 0.300 1 
      1031  98  98 ARG CD   C  43.153 0.300 1 
      1032  98  98 ARG N    N 125.431 0.300 1 
      1033  99  99 ILE H    H   9.279 0.030 1 
      1034  99  99 ILE HA   H   5.599 0.030 1 
      1035  99  99 ILE HB   H   1.790 0.030 1 
      1036  99  99 ILE HG12 H   1.212 0.030 2 
      1037  99  99 ILE HG13 H   1.048 0.030 2 
      1038  99  99 ILE HG2  H   0.659 0.030 1 
      1039  99  99 ILE HD1  H   0.730 0.030 1 
      1040  99  99 ILE C    C 175.701 0.300 1 
      1041  99  99 ILE CA   C  58.528 0.300 1 
      1042  99  99 ILE CB   C  42.521 0.300 1 
      1043  99  99 ILE CG1  C  26.300 0.300 1 
      1044  99  99 ILE CG2  C  18.280 0.300 1 
      1045  99  99 ILE CD1  C  14.825 0.300 1 
      1046  99  99 ILE N    N 122.941 0.300 1 
      1047 100 100 ILE H    H   8.504 0.030 1 
      1048 100 100 ILE HA   H   4.785 0.030 1 
      1049 100 100 ILE HB   H   1.699 0.030 1 
      1050 100 100 ILE HG12 H   1.529 0.030 2 
      1051 100 100 ILE HG13 H   1.016 0.030 2 
      1052 100 100 ILE HG2  H   0.964 0.030 1 
      1053 100 100 ILE HD1  H   0.860 0.030 1 
      1054 100 100 ILE C    C 174.177 0.300 1 
      1055 100 100 ILE CA   C  58.435 0.300 1 
      1056 100 100 ILE CB   C  40.887 0.300 1 
      1057 100 100 ILE CG1  C  27.484 0.300 1 
      1058 100 100 ILE CG2  C  17.768 0.300 1 
      1059 100 100 ILE CD1  C  14.524 0.300 1 
      1060 100 100 ILE N    N 119.614 0.300 1 
      1061 101 101 PRO HA   H   4.561 0.030 1 
      1062 101 101 PRO HB2  H   2.372 0.030 2 
      1063 101 101 PRO HB3  H   1.925 0.030 2 
      1064 101 101 PRO HG2  H   2.043 0.030 2 
      1065 101 101 PRO HG3  H   1.888 0.030 2 
      1066 101 101 PRO HD2  H   3.783 0.030 2 
      1067 101 101 PRO HD3  H   3.755 0.030 2 
      1068 101 101 PRO C    C 177.197 0.300 1 
      1069 101 101 PRO CA   C  62.313 0.300 1 
      1070 101 101 PRO CB   C  32.566 0.300 1 
      1071 101 101 PRO CG   C  27.390 0.300 1 
      1072 101 101 PRO CD   C  51.759 0.300 1 
      1073 102 102 GLN H    H   9.099 0.030 1 
      1074 102 102 GLN HA   H   4.151 0.030 1 
      1075 102 102 GLN HB2  H   2.038 0.030 1 
      1076 102 102 GLN HB3  H   2.038 0.030 1 
      1077 102 102 GLN HG2  H   2.408 0.030 1 
      1078 102 102 GLN HG3  H   2.408 0.030 1 
      1079 102 102 GLN HE21 H   7.684 0.030 2 
      1080 102 102 GLN HE22 H   6.868 0.030 2 
      1081 102 102 GLN C    C 176.282 0.300 1 
      1082 102 102 GLN CA   C  57.034 0.300 1 
      1083 102 102 GLN CB   C  29.598 0.300 1 
      1084 102 102 GLN CG   C  33.928 0.300 1 
      1085 102 102 GLN N    N 122.548 0.300 1 
      1086 102 102 GLN NE2  N 112.573 0.300 1 
      1087 103 103 GLU H    H   8.791 0.030 1 
      1088 103 103 GLU HA   H   4.235 0.030 1 
      1089 103 103 GLU HB2  H   2.037 0.030 1 
      1090 103 103 GLU HB3  H   2.037 0.030 1 
      1091 103 103 GLU HG2  H   2.270 0.030 1 
      1092 103 103 GLU HG3  H   2.270 0.030 1 
      1093 103 103 GLU C    C 176.573 0.300 1 
      1094 103 103 GLU CA   C  57.111 0.300 1 
      1095 103 103 GLU CB   C  30.294 0.300 1 
      1096 103 103 GLU CG   C  36.318 0.300 1 
      1097 103 103 GLU N    N 122.185 0.300 1 
      1098 104 104 GLU H    H   8.367 0.030 1 
      1099 104 104 GLU HA   H   4.286 0.030 1 
      1100 104 104 GLU HB2  H   2.094 0.030 2 
      1101 104 104 GLU HB3  H   1.940 0.030 2 
      1102 104 104 GLU HG2  H   2.314 0.030 1 
      1103 104 104 GLU HG3  H   2.314 0.030 1 
      1104 104 104 GLU C    C 176.545 0.300 1 
      1105 104 104 GLU CA   C  56.544 0.300 1 
      1106 104 104 GLU CB   C  30.312 0.300 1 
      1107 104 104 GLU CG   C  36.186 0.300 1 
      1108 104 104 GLU N    N 121.750 0.300 1 
      1109 105 105 LEU H    H   8.177 0.030 1 
      1110 105 105 LEU HA   H   4.371 0.030 1 
      1111 105 105 LEU HB2  H   1.659 0.030 2 
      1112 105 105 LEU HB3  H   1.613 0.030 2 
      1113 105 105 LEU HG   H   1.624 0.030 1 
      1114 105 105 LEU HD1  H   0.930 0.030 1 
      1115 105 105 LEU HD2  H   0.874 0.030 1 
      1116 105 105 LEU C    C 176.881 0.300 1 
      1117 105 105 LEU CA   C  55.248 0.300 1 
      1118 105 105 LEU CB   C  42.453 0.300 1 
      1119 105 105 LEU CG   C  27.171 0.300 1 
      1120 105 105 LEU CD1  C  24.939 0.300 2 
      1121 105 105 LEU CD2  C  23.793 0.300 2 
      1122 105 105 LEU N    N 122.819 0.300 1 
      1123 106 106 ASN H    H   8.438 0.030 1 
      1124 106 106 ASN HA   H   4.740 0.030 1 
      1125 106 106 ASN HB2  H   2.732 0.030 2 
      1126 106 106 ASN HB3  H   2.819 0.030 2 
      1127 106 106 ASN HD21 H   7.640 0.030 2 
      1128 106 106 ASN HD22 H   6.912 0.030 2 
      1129 106 106 ASN C    C 174.612 0.300 1 
      1130 106 106 ASN CA   C  53.216 0.300 1 
      1131 106 106 ASN CB   C  39.155 0.300 1 
      1132 106 106 ASN N    N 119.836 0.300 1 
      1133 106 106 ASN ND2  N 113.310 0.300 1 
      1134 107 107 SER H    H   8.212 0.030 1 
      1135 107 107 SER HA   H   4.757 0.030 1 
      1136 107 107 SER HB2  H   3.867 0.030 1 
      1137 107 107 SER HB3  H   3.867 0.030 1 
      1138 107 107 SER C    C 172.846 0.300 1 
      1139 107 107 SER CA   C  56.438 0.300 1 
      1140 107 107 SER CB   C  63.383 0.300 1 
      1141 107 107 SER N    N 117.145 0.300 1 
      1142 108 108 PRO HA   H   4.502 0.030 1 
      1143 108 108 PRO HB2  H   2.326 0.030 2 
      1144 108 108 PRO HB3  H   1.991 0.030 2 
      1145 108 108 PRO HG2  H   2.055 0.030 1 
      1146 108 108 PRO HG3  H   2.055 0.030 1 
      1147 108 108 PRO HD2  H   3.816 0.030 2 
      1148 108 108 PRO HD3  H   3.748 0.030 2 
      1149 108 108 PRO C    C 177.415 0.300 1 
      1150 108 108 PRO CA   C  63.558 0.300 1 
      1151 108 108 PRO CB   C  32.187 0.300 1 
      1152 108 108 PRO CG   C  27.410 0.300 1 
      1153 108 108 PRO CD   C  50.781 0.300 1 
      1154 109 109 SER H    H   8.536 0.030 1 
      1155 109 109 SER C    C 174.709 0.300 1 
      1156 109 109 SER CA   C  58.399 0.300 1 
      1157 109 109 SER CB   C  63.960 0.300 1 
      1158 109 109 SER N    N 116.476 0.300 1 
      1159 110 110 GLY HA2  H   4.182 0.030 2 
      1160 110 110 GLY HA3  H   4.120 0.030 2 
      1161 110 110 GLY CA   C  44.689 0.300 1 
      1162 111 111 PRO HA   H   4.507 0.030 1 
      1163 111 111 PRO HB2  H   2.315 0.030 2 
      1164 111 111 PRO HB3  H   1.991 0.030 2 
      1165 111 111 PRO HG2  H   2.041 0.030 1 
      1166 111 111 PRO HG3  H   2.041 0.030 1 
      1167 111 111 PRO HD2  H   3.652 0.030 1 
      1168 111 111 PRO HD3  H   3.652 0.030 1 
      1169 111 111 PRO C    C 177.173 0.300 1 
      1170 111 111 PRO CA   C  63.259 0.300 1 
      1171 111 111 PRO CB   C  32.232 0.300 1 
      1172 111 111 PRO CG   C  27.171 0.300 1 
      1173 111 111 PRO CD   C  49.832 0.300 1 
      1174 112 112 SER H    H   8.431 0.030 1 
      1175 112 112 SER HA   H   4.532 0.030 1 
      1176 112 112 SER HB2  H   3.943 0.030 1 
      1177 112 112 SER HB3  H   3.943 0.030 1 
      1178 112 112 SER C    C 174.661 0.300 1 
      1179 112 112 SER CA   C  58.365 0.300 1 
      1180 112 112 SER CB   C  63.972 0.300 1 
      1181 112 112 SER N    N 115.958 0.300 1 
      1182 113 113 SER H    H   8.340 0.030 1 
      1183 113 113 SER HA   H   4.521 0.030 1 
      1184 113 113 SER HB2  H   3.920 0.030 1 
      1185 113 113 SER HB3  H   3.920 0.030 1 
      1186 113 113 SER C    C 173.959 0.300 1 
      1187 113 113 SER CA   C  58.260 0.300 1 
      1188 113 113 SER CB   C  64.136 0.300 1 
      1189 113 113 SER N    N 117.886 0.300 1 
      1190 114 114 GLY H    H   8.059 0.030 1 
      1191 114 114 GLY HA2  H   3.811 0.030 2 
      1192 114 114 GLY HA3  H   3.774 0.030 2 
      1193 114 114 GLY C    C 179.017 0.300 1 
      1194 114 114 GLY CA   C  46.243 0.300 1 
      1195 114 114 GLY N    N 116.879 0.300 1 

   stop_

save_