data_10266

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

save_entry_information
   _Saveframe_category      entry_information

   _Entry_title            
;
Solution structures of the fn3 domain of human receptor-type tyrosine-protein 
phosphatase F 
;
   _BMRB_accession_number   10266
   _BMRB_flat_file_name     bmr10266.str
   _Entry_type              new
   _Submission_date         2008-12-15
   _Accession_date          2008-12-15
   _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 Sato     M. . . 
      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"  570 
      "13C chemical shifts" 422 
      "15N chemical shifts" 103 

   stop_

   loop_
      _Revision_date
      _Revision_keyword
      _Revision_author
      _Revision_detail

      2009-12-14 original author . 

   stop_

save_


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

save_citation_1
   _Saveframe_category           entry_citation

   _Citation_full                .
   _Citation_title              
;
Solution structures of the fn3 domain of human receptor-type tyrosine-protein 
phosphatase F 
;
   _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 Sato     M. . . 
      2 Koshiba  S. . . 
      3 Watanabe S. . . 
      4 Harada   T. . . 
      5 Kigawa   T. . . 
      6 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           'Receptor-type tyrosine-protein phosphatase F'
   _Enzyme_commission_number   E.C.3.1.3.48

   loop_
      _Mol_system_component_name
      _Mol_label

      'Fibronectin type III domain' $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                                'Fibronectin type III domain'
   _Molecular_mass                              .
   _Mol_thiol_state                            'not present'
   _Details                                     .

   	##############################
   	#  Polymer residue sequence  #
   	##############################
   
      _Residue_count                               103
   _Mol_residue_sequence                       
;
GSSGSSGPSGFPQNLHVTGL
TTSTTELAWDPPVLAERNGR
IISYTVVFRDINSQQELQNI
TTDTRFTLTGLKPDTTYDIK
VRAWTSKGSGPLSPSIQSRT
MPV
;

   loop_
      _Residue_seq_code
      _Residue_label

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

   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 2EDY "Solution Structures Of The Fn3 Domain Of Human Receptor- Type Tyrosine-Protein Phosphatase F" 100.00 103 100.00 100.00 1.59e-66 

   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 P060123-21 

   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    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                 XWINNMR
   _Version              3.5

   loop_
      _Vendor
      _Address
      _Electronic_address

      Bruker . . 

   stop_

   loop_
      _Task

      collection 

   stop_

   _Details              .

save_


save_software_2
   _Saveframe_category   software

   _Name                 NMRPipe
   _Version              20031121

   loop_
      _Vendor
      _Address
      _Electronic_address

      'Delaglio, F.' . . 

   stop_

   loop_
      _Task

      processing 

   stop_

   _Details              .

save_


save_software_3
   _Saveframe_category   software

   _Name                 NMRView
   _Version              2.0.17

   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              0.932

   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
   _Field_strength       700
   _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     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 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       'Fibronectin type III domain'
   _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   6   6 SER HA   H   4.535 0.030 1 
         2   6   6 SER HB2  H   3.830 0.030 1 
         3   6   6 SER HB3  H   3.830 0.030 1 
         4   6   6 SER CA   C  58.104 0.300 1 
         5   6   6 SER CB   C  64.201 0.300 1 
         6   7   7 GLY H    H   7.998 0.030 1 
         7   7   7 GLY HA2  H   3.978 0.030 2 
         8   7   7 GLY HA3  H   3.515 0.030 2 
         9   7   7 GLY CA   C  44.050 0.300 1 
        10   7   7 GLY N    N 108.741 0.300 1 
        11   8   8 PRO HA   H   4.324 0.030 1 
        12   8   8 PRO HB2  H   2.506 0.030 2 
        13   8   8 PRO HB3  H   1.888 0.030 2 
        14   8   8 PRO HD2  H   3.704 0.030 2 
        15   8   8 PRO HD3  H   3.235 0.030 2 
        16   8   8 PRO HG2  H   2.117 0.030 2 
        17   8   8 PRO HG3  H   1.667 0.030 2 
        18   8   8 PRO CA   C  63.624 0.300 1 
        19   8   8 PRO CB   C  32.235 0.300 1 
        20   8   8 PRO CD   C  49.864 0.300 1 
        21   8   8 PRO CG   C  26.962 0.300 1 
        22   9   9 SER H    H   8.323 0.030 1 
        23   9   9 SER HA   H   4.512 0.030 1 
        24   9   9 SER HB2  H   3.954 0.030 2 
        25   9   9 SER HB3  H   3.729 0.030 2 
        26   9   9 SER C    C 174.410 0.300 1 
        27   9   9 SER CA   C  57.701 0.300 1 
        28   9   9 SER CB   C  63.909 0.300 1 
        29   9   9 SER N    N 115.299 0.300 1 
        30  10  10 GLY H    H   7.439 0.030 1 
        31  10  10 GLY HA2  H   4.383 0.030 2 
        32  10  10 GLY HA3  H   3.951 0.030 2 
        33  10  10 GLY C    C 172.743 0.300 1 
        34  10  10 GLY CA   C  43.924 0.300 1 
        35  10  10 GLY N    N 107.797 0.300 1 
        36  11  11 PHE H    H   7.534 0.030 1 
        37  11  11 PHE HA   H   5.519 0.030 1 
        38  11  11 PHE HB2  H   3.052 0.030 2 
        39  11  11 PHE HB3  H   2.790 0.030 2 
        40  11  11 PHE HD1  H   7.215 0.030 1 
        41  11  11 PHE HD2  H   7.215 0.030 1 
        42  11  11 PHE HE1  H   7.435 0.030 1 
        43  11  11 PHE HE2  H   7.435 0.030 1 
        44  11  11 PHE C    C 173.822 0.300 1 
        45  11  11 PHE CA   C  52.513 0.300 1 
        46  11  11 PHE CB   C  38.744 0.300 1 
        47  11  11 PHE CD1  C 133.940 0.300 1 
        48  11  11 PHE CD2  C 133.940 0.300 1 
        49  11  11 PHE CE1  C 131.967 0.300 1 
        50  11  11 PHE CE2  C 131.967 0.300 1 
        51  11  11 PHE N    N 115.246 0.300 1 
        52  12  12 PRO HA   H   4.285 0.030 1 
        53  12  12 PRO HB2  H   2.792 0.030 2 
        54  12  12 PRO HB3  H   1.541 0.030 2 
        55  12  12 PRO HD2  H   4.454 0.030 2 
        56  12  12 PRO HD3  H   3.733 0.030 2 
        57  12  12 PRO HG2  H   1.806 0.030 2 
        58  12  12 PRO HG3  H   1.709 0.030 2 
        59  12  12 PRO C    C 175.173 0.300 1 
        60  12  12 PRO CA   C  63.707 0.300 1 
        61  12  12 PRO CB   C  32.344 0.300 1 
        62  12  12 PRO CD   C  51.060 0.300 1 
        63  12  12 PRO CG   C  29.352 0.300 1 
        64  13  13 GLN H    H   7.469 0.030 1 
        65  13  13 GLN HA   H   4.511 0.030 1 
        66  13  13 GLN HB2  H   2.258 0.030 2 
        67  13  13 GLN HB3  H   1.754 0.030 2 
        68  13  13 GLN HE21 H   7.437 0.030 2 
        69  13  13 GLN HE22 H   6.710 0.030 2 
        70  13  13 GLN HG2  H   2.441 0.030 1 
        71  13  13 GLN HG3  H   2.441 0.030 1 
        72  13  13 GLN C    C 175.349 0.300 1 
        73  13  13 GLN CA   C  54.572 0.300 1 
        74  13  13 GLN CB   C  32.848 0.300 1 
        75  13  13 GLN CG   C  34.130 0.300 1 
        76  13  13 GLN N    N 120.555 0.300 1 
        77  13  13 GLN NE2  N 115.277 0.300 1 
        78  14  14 ASN H    H   8.978 0.030 1 
        79  14  14 ASN HA   H   4.424 0.030 1 
        80  14  14 ASN HB2  H   3.074 0.030 2 
        81  14  14 ASN HB3  H   2.780 0.030 2 
        82  14  14 ASN HD21 H   8.070 0.030 2 
        83  14  14 ASN HD22 H   6.768 0.030 2 
        84  14  14 ASN C    C 174.770 0.300 1 
        85  14  14 ASN CA   C  54.079 0.300 1 
        86  14  14 ASN CB   C  37.343 0.300 1 
        87  14  14 ASN N    N 114.024 0.300 1 
        88  14  14 ASN ND2  N 114.771 0.300 1 
        89  15  15 LEU H    H   8.437 0.030 1 
        90  15  15 LEU HA   H   5.062 0.030 1 
        91  15  15 LEU HB2  H   2.057 0.030 2 
        92  15  15 LEU HB3  H   1.233 0.030 2 
        93  15  15 LEU HD1  H   0.928 0.030 1 
        94  15  15 LEU HD2  H   0.797 0.030 1 
        95  15  15 LEU HG   H   1.467 0.030 1 
        96  15  15 LEU C    C 177.001 0.300 1 
        97  15  15 LEU CA   C  56.667 0.300 1 
        98  15  15 LEU CB   C  41.720 0.300 1 
        99  15  15 LEU CD1  C  24.286 0.300 2 
       100  15  15 LEU CD2  C  27.209 0.300 2 
       101  15  15 LEU CG   C  27.262 0.300 1 
       102  15  15 LEU N    N 121.843 0.300 1 
       103  16  16 HIS H    H   9.492 0.030 1 
       104  16  16 HIS HA   H   4.987 0.030 1 
       105  16  16 HIS HB2  H   3.253 0.030 2 
       106  16  16 HIS HB3  H   3.207 0.030 2 
       107  16  16 HIS HD2  H   6.878 0.030 1 
       108  16  16 HIS HE1  H   8.378 0.030 1 
       109  16  16 HIS C    C 171.333 0.300 1 
       110  16  16 HIS CA   C  55.153 0.300 1 
       111  16  16 HIS CB   C  30.515 0.300 1 
       112  16  16 HIS CD2  C 122.426 0.300 1 
       113  16  16 HIS CE1  C 137.401 0.300 1 
       114  16  16 HIS N    N 121.636 0.300 1 
       115  17  17 VAL H    H   8.606 0.030 1 
       116  17  17 VAL HA   H   4.663 0.030 1 
       117  17  17 VAL HB   H   1.958 0.030 1 
       118  17  17 VAL HG1  H   1.065 0.030 1 
       119  17  17 VAL HG2  H   0.918 0.030 1 
       120  17  17 VAL C    C 177.740 0.300 1 
       121  17  17 VAL CA   C  61.771 0.300 1 
       122  17  17 VAL CB   C  33.476 0.300 1 
       123  17  17 VAL CG1  C  22.067 0.300 2 
       124  17  17 VAL CG2  C  21.837 0.300 2 
       125  17  17 VAL N    N 120.868 0.300 1 
       126  18  18 THR H    H   9.022 0.030 1 
       127  18  18 THR HA   H   4.516 0.030 1 
       128  18  18 THR HB   H   4.310 0.030 1 
       129  18  18 THR HG2  H   0.900 0.030 1 
       130  18  18 THR C    C 174.913 0.300 1 
       131  18  18 THR CA   C  61.472 0.300 1 
       132  18  18 THR CB   C  68.725 0.300 1 
       133  18  18 THR CG2  C  23.019 0.300 1 
       134  18  18 THR N    N 117.096 0.300 1 
       135  19  19 GLY H    H   7.443 0.030 1 
       136  19  19 GLY HA2  H   4.177 0.030 2 
       137  19  19 GLY HA3  H   3.909 0.030 2 
       138  19  19 GLY C    C 170.720 0.300 1 
       139  19  19 GLY CA   C  45.877 0.300 1 
       140  19  19 GLY N    N 111.594 0.300 1 
       141  20  20 LEU H    H   8.400 0.030 1 
       142  20  20 LEU HA   H   4.803 0.030 1 
       143  20  20 LEU HB2  H   1.871 0.030 2 
       144  20  20 LEU HB3  H   1.665 0.030 2 
       145  20  20 LEU HD1  H   0.981 0.030 1 
       146  20  20 LEU HD2  H   1.000 0.030 1 
       147  20  20 LEU HG   H   1.597 0.030 1 
       148  20  20 LEU C    C 175.350 0.300 1 
       149  20  20 LEU CA   C  55.557 0.300 1 
       150  20  20 LEU CB   C  46.554 0.300 1 
       151  20  20 LEU CD1  C  26.221 0.300 2 
       152  20  20 LEU CD2  C  25.813 0.300 2 
       153  20  20 LEU CG   C  26.357 0.300 1 
       154  20  20 LEU N    N 121.661 0.300 1 
       155  21  21 THR H    H   7.720 0.030 1 
       156  21  21 THR HA   H   4.900 0.030 1 
       157  21  21 THR HB   H   4.706 0.030 1 
       158  21  21 THR HG2  H   1.104 0.030 1 
       159  21  21 THR C    C 174.986 0.300 1 
       160  21  21 THR CA   C  61.049 0.300 1 
       161  21  21 THR CB   C  71.081 0.300 1 
       162  21  21 THR CG2  C  21.034 0.300 1 
       163  21  21 THR N    N 112.043 0.300 1 
       164  22  22 THR H    H   7.782 0.030 1 
       165  22  22 THR HA   H   4.657 0.030 1 
       166  22  22 THR HB   H   4.105 0.030 1 
       167  22  22 THR HG2  H   1.156 0.030 1 
       168  22  22 THR C    C 174.110 0.300 1 
       169  22  22 THR CA   C  63.654 0.300 1 
       170  22  22 THR CB   C  69.834 0.300 1 
       171  22  22 THR CG2  C  22.580 0.300 1 
       172  22  22 THR N    N 110.558 0.300 1 
       173  23  23 SER H    H   7.289 0.030 1 
       174  23  23 SER HA   H   4.717 0.030 1 
       175  23  23 SER HB2  H   4.105 0.030 2 
       176  23  23 SER HB3  H   3.537 0.030 2 
       177  23  23 SER C    C 173.680 0.300 1 
       178  23  23 SER CA   C  57.212 0.300 1 
       179  23  23 SER CB   C  66.012 0.300 1 
       180  23  23 SER N    N 107.116 0.300 1 
       181  24  24 THR H    H   7.174 0.030 1 
       182  24  24 THR HA   H   5.377 0.030 1 
       183  24  24 THR HB   H   3.946 0.030 1 
       184  24  24 THR HG2  H   1.007 0.030 1 
       185  24  24 THR C    C 176.427 0.300 1 
       186  24  24 THR CA   C  58.656 0.300 1 
       187  24  24 THR CB   C  73.018 0.300 1 
       188  24  24 THR CG2  C  21.845 0.300 1 
       189  24  24 THR N    N 111.053 0.300 1 
       190  25  25 THR H    H   8.180 0.030 1 
       191  25  25 THR HA   H   4.608 0.030 1 
       192  25  25 THR HB   H   3.605 0.030 1 
       193  25  25 THR HG2  H   1.065 0.030 1 
       194  25  25 THR C    C 170.451 0.300 1 
       195  25  25 THR CA   C  63.619 0.300 1 
       196  25  25 THR CB   C  75.464 0.300 1 
       197  25  25 THR CG2  C  21.861 0.300 1 
       198  25  25 THR N    N 117.664 0.300 1 
       199  26  26 GLU H    H   9.197 0.030 1 
       200  26  26 GLU HA   H   4.706 0.030 1 
       201  26  26 GLU HB2  H   1.813 0.030 2 
       202  26  26 GLU HB3  H   1.728 0.030 2 
       203  26  26 GLU HG2  H   2.102 0.030 2 
       204  26  26 GLU HG3  H   1.979 0.030 2 
       205  26  26 GLU C    C 174.626 0.300 1 
       206  26  26 GLU CA   C  55.751 0.300 1 
       207  26  26 GLU CB   C  30.917 0.300 1 
       208  26  26 GLU CG   C  36.123 0.300 1 
       209  26  26 GLU N    N 130.706 0.300 1 
       210  27  27 LEU H    H   9.001 0.030 1 
       211  27  27 LEU HA   H   5.273 0.030 1 
       212  27  27 LEU HB2  H   2.111 0.030 2 
       213  27  27 LEU HB3  H   1.523 0.030 2 
       214  27  27 LEU HD1  H   0.860 0.030 1 
       215  27  27 LEU HD2  H   0.816 0.030 1 
       216  27  27 LEU HG   H   1.700 0.030 1 
       217  27  27 LEU C    C 176.770 0.300 1 
       218  27  27 LEU CA   C  53.165 0.300 1 
       219  27  27 LEU CB   C  47.693 0.300 1 
       220  27  27 LEU CD1  C  27.229 0.300 2 
       221  27  27 LEU CD2  C  24.532 0.300 2 
       222  27  27 LEU CG   C  26.957 0.300 1 
       223  27  27 LEU N    N 124.564 0.300 1 
       224  28  28 ALA H    H   8.640 0.030 1 
       225  28  28 ALA HA   H   4.577 0.030 1 
       226  28  28 ALA HB   H   0.906 0.030 1 
       227  28  28 ALA C    C 174.523 0.300 1 
       228  28  28 ALA CA   C  51.404 0.300 1 
       229  28  28 ALA CB   C  23.304 0.300 1 
       230  28  28 ALA N    N 122.531 0.300 1 
       231  29  29 TRP H    H   7.581 0.030 1 
       232  29  29 TRP HA   H   4.868 0.030 1 
       233  29  29 TRP HB2  H   3.324 0.030 2 
       234  29  29 TRP HB3  H   3.074 0.030 2 
       235  29  29 TRP HD1  H   6.460 0.030 1 
       236  29  29 TRP HE1  H   5.502 0.030 1 
       237  29  29 TRP HE3  H   6.768 0.030 1 
       238  29  29 TRP HH2  H   6.391 0.030 1 
       239  29  29 TRP HZ2  H   6.908 0.030 1 
       240  29  29 TRP HZ3  H   6.439 0.030 1 
       241  29  29 TRP C    C 172.280 0.300 1 
       242  29  29 TRP CA   C  56.948 0.300 1 
       243  29  29 TRP CB   C  29.667 0.300 1 
       244  29  29 TRP CD1  C 125.062 0.300 1 
       245  29  29 TRP CE3  C 119.532 0.300 1 
       246  29  29 TRP CH2  C 123.345 0.300 1 
       247  29  29 TRP CZ2  C 114.967 0.300 1 
       248  29  29 TRP CZ3  C 120.045 0.300 1 
       249  29  29 TRP N    N 115.551 0.300 1 
       250  29  29 TRP NE1  N 123.477 0.300 1 
       251  30  30 ASP H    H   9.276 0.030 1 
       252  30  30 ASP HA   H   5.443 0.030 1 
       253  30  30 ASP HB2  H   2.822 0.030 2 
       254  30  30 ASP HB3  H   2.288 0.030 2 
       255  30  30 ASP C    C 173.846 0.300 1 
       256  30  30 ASP CA   C  51.562 0.300 1 
       257  30  30 ASP CB   C  42.533 0.300 1 
       258  30  30 ASP N    N 117.265 0.300 1 
       259  31  31 PRO HA   H   5.105 0.030 1 
       260  31  31 PRO HB2  H   2.566 0.030 2 
       261  31  31 PRO HB3  H   1.898 0.030 2 
       262  31  31 PRO HD2  H   3.927 0.030 2 
       263  31  31 PRO HD3  H   3.636 0.030 2 
       264  31  31 PRO HG2  H   2.104 0.030 1 
       265  31  31 PRO HG3  H   2.104 0.030 1 
       266  31  31 PRO CA   C  61.905 0.300 1 
       267  31  31 PRO CB   C  29.864 0.300 1 
       268  31  31 PRO CD   C  50.266 0.300 1 
       269  31  31 PRO CG   C  28.043 0.300 1 
       270  32  32 PRO HA   H   4.580 0.030 1 
       271  32  32 PRO HB2  H   1.928 0.030 2 
       272  32  32 PRO HB3  H   1.468 0.030 2 
       273  32  32 PRO HD2  H   3.844 0.030 2 
       274  32  32 PRO HD3  H   3.518 0.030 2 
       275  32  32 PRO HG2  H   1.729 0.030 2 
       276  32  32 PRO HG3  H   1.516 0.030 2 
       277  32  32 PRO CA   C  62.036 0.300 1 
       278  32  32 PRO CB   C  30.840 0.300 1 
       279  32  32 PRO CD   C  50.345 0.300 1 
       280  32  32 PRO CG   C  28.307 0.300 1 
       281  33  33 VAL H    H   8.755 0.030 1 
       282  33  33 VAL HA   H   3.994 0.030 1 
       283  33  33 VAL HB   H   2.113 0.030 1 
       284  33  33 VAL HG1  H   0.954 0.030 1 
       285  33  33 VAL HG2  H   0.826 0.030 1 
       286  33  33 VAL CA   C  62.553 0.300 1 
       287  33  33 VAL CB   C  31.763 0.300 1 
       288  33  33 VAL CG1  C  21.519 0.300 2 
       289  33  33 VAL CG2  C  19.837 0.300 2 
       290  33  33 VAL N    N 120.113 0.300 1 
       291  34  34 LEU H    H   8.469 0.030 1 
       292  34  34 LEU HA   H   3.768 0.030 1 
       293  34  34 LEU HB2  H   1.682 0.030 2 
       294  34  34 LEU HB3  H   1.598 0.030 2 
       295  34  34 LEU HD1  H   0.909 0.030 1 
       296  34  34 LEU HD2  H   0.871 0.030 1 
       297  34  34 LEU HG   H   1.566 0.030 1 
       298  34  34 LEU CA   C  58.809 0.300 1 
       299  34  34 LEU CB   C  42.426 0.300 1 
       300  34  34 LEU CD1  C  24.425 0.300 2 
       301  34  34 LEU CD2  C  24.790 0.300 2 
       302  34  34 LEU CG   C  27.053 0.300 1 
       303  34  34 LEU N    N 125.095 0.300 1 
       304  35  35 ALA H    H   8.586 0.030 1 
       305  35  35 ALA HA   H   4.171 0.030 1 
       306  35  35 ALA HB   H   1.388 0.030 1 
       307  35  35 ALA CA   C  53.957 0.300 1 
       308  35  35 ALA CB   C  19.056 0.300 1 
       309  35  35 ALA N    N 119.010 0.300 1 
       310  36  36 GLU H    H   8.070 0.030 1 
       311  36  36 GLU HA   H   4.305 0.030 1 
       312  36  36 GLU HB2  H   1.644 0.030 1 
       313  36  36 GLU HB3  H   1.644 0.030 1 
       314  36  36 GLU HG2  H   1.983 0.030 2 
       315  36  36 GLU HG3  H   1.929 0.030 2 
       316  36  36 GLU CA   C  55.527 0.300 1 
       317  36  36 GLU CB   C  29.845 0.300 1 
       318  36  36 GLU CG   C  36.102 0.300 1 
       319  36  36 GLU N    N 115.604 0.300 1 
       320  37  37 ARG HA   H   3.758 0.030 1 
       321  37  37 ARG HB2  H   2.217 0.030 2 
       322  37  37 ARG HB3  H   1.874 0.030 2 
       323  37  37 ARG HD2  H   3.384 0.030 2 
       324  37  37 ARG HD3  H   3.165 0.030 2 
       325  37  37 ARG HG2  H   1.972 0.030 2 
       326  37  37 ARG HG3  H   1.252 0.030 2 
       327  37  37 ARG CA   C  60.050 0.300 1 
       328  37  37 ARG CB   C  30.804 0.300 1 
       329  37  37 ARG CD   C  44.261 0.300 1 
       330  37  37 ARG CG   C  28.646 0.300 1 
       331  37  37 ARG N    N 122.198 0.300 1 
       332  38  38 ASN H    H   8.093 0.030 1 
       333  38  38 ASN HA   H   4.291 0.030 1 
       334  38  38 ASN HB2  H   2.899 0.030 2 
       335  38  38 ASN HB3  H   2.581 0.030 2 
       336  38  38 ASN HD21 H   7.295 0.030 2 
       337  38  38 ASN HD22 H   6.746 0.030 2 
       338  38  38 ASN C    C 174.619 0.300 1 
       339  38  38 ASN CA   C  53.287 0.300 1 
       340  38  38 ASN CB   C  37.482 0.300 1 
       341  38  38 ASN N    N 109.319 0.300 1 
       342  38  38 ASN ND2  N 112.228 0.300 1 
       343  39  39 GLY H    H   7.575 0.030 1 
       344  39  39 GLY HA2  H   4.320 0.030 2 
       345  39  39 GLY HA3  H   3.697 0.030 2 
       346  39  39 GLY C    C 172.138 0.300 1 
       347  39  39 GLY CA   C  43.766 0.300 1 
       348  39  39 GLY N    N 105.607 0.300 1 
       349  40  40 ARG H    H   8.180 0.030 1 
       350  40  40 ARG HA   H   4.333 0.030 1 
       351  40  40 ARG HB2  H   1.720 0.030 1 
       352  40  40 ARG HB3  H   1.720 0.030 1 
       353  40  40 ARG HD2  H   3.216 0.030 2 
       354  40  40 ARG HD3  H   3.187 0.030 2 
       355  40  40 ARG HG2  H   1.640 0.030 2 
       356  40  40 ARG HG3  H   1.442 0.030 2 
       357  40  40 ARG C    C 176.395 0.300 1 
       358  40  40 ARG CA   C  55.453 0.300 1 
       359  40  40 ARG CB   C  30.999 0.300 1 
       360  40  40 ARG CD   C  43.453 0.300 1 
       361  40  40 ARG CG   C  27.335 0.300 1 
       362  40  40 ARG N    N 119.566 0.300 1 
       363  41  41 ILE H    H   8.991 0.030 1 
       364  41  41 ILE HA   H   4.256 0.030 1 
       365  41  41 ILE HB   H   2.102 0.030 1 
       366  41  41 ILE HD1  H   0.688 0.030 1 
       367  41  41 ILE HG12 H   1.703 0.030 2 
       368  41  41 ILE HG13 H   1.320 0.030 2 
       369  41  41 ILE HG2  H   0.767 0.030 1 
       370  41  41 ILE CA   C  59.279 0.300 1 
       371  41  41 ILE CB   C  35.329 0.300 1 
       372  41  41 ILE CD1  C  10.511 0.300 1 
       373  41  41 ILE CG1  C  27.310 0.300 1 
       374  41  41 ILE CG2  C  18.171 0.300 1 
       375  41  41 ILE N    N 127.226 0.300 1 
       376  42  42 ILE H    H   8.721 0.030 1 
       377  42  42 ILE HA   H   4.475 0.030 1 
       378  42  42 ILE HB   H   1.886 0.030 1 
       379  42  42 ILE HD1  H   0.676 0.030 1 
       380  42  42 ILE HG12 H   1.278 0.030 2 
       381  42  42 ILE HG13 H   0.792 0.030 2 
       382  42  42 ILE HG2  H   0.876 0.030 1 
       383  42  42 ILE C    C 175.959 0.300 1 
       384  42  42 ILE CA   C  61.208 0.300 1 
       385  42  42 ILE CB   C  39.771 0.300 1 
       386  42  42 ILE CD1  C  13.432 0.300 1 
       387  42  42 ILE CG1  C  26.137 0.300 1 
       388  42  42 ILE CG2  C  18.013 0.300 1 
       389  42  42 ILE N    N 122.018 0.300 1 
       390  43  43 SER H    H   7.425 0.030 1 
       391  43  43 SER HA   H   4.555 0.030 1 
       392  43  43 SER HB2  H   3.600 0.030 1 
       393  43  43 SER HB3  H   3.600 0.030 1 
       394  43  43 SER C    C 170.232 0.300 1 
       395  43  43 SER CA   C  58.234 0.300 1 
       396  43  43 SER CB   C  64.287 0.300 1 
       397  43  43 SER N    N 113.043 0.300 1 
       398  44  44 TYR H    H   9.297 0.030 1 
       399  44  44 TYR HA   H   5.741 0.030 1 
       400  44  44 TYR HB2  H   2.909 0.030 2 
       401  44  44 TYR HB3  H   2.750 0.030 2 
       402  44  44 TYR HD1  H   6.857 0.030 3 
       403  44  44 TYR HD2  H   7.368 0.030 3 
       404  44  44 TYR HE1  H   6.569 0.030 3 
       405  44  44 TYR HE2  H   6.648 0.030 3 
       406  44  44 TYR C    C 175.735 0.300 1 
       407  44  44 TYR CA   C  57.137 0.300 1 
       408  44  44 TYR CB   C  42.410 0.300 1 
       409  44  44 TYR CD1  C 132.701 0.300 3 
       410  44  44 TYR CD2  C 136.873 0.300 3 
       411  44  44 TYR CE1  C 116.370 0.300 3 
       412  44  44 TYR CE2  C 118.542 0.300 3 
       413  44  44 TYR N    N 116.157 0.300 1 
       414  45  45 THR H    H   8.778 0.030 1 
       415  45  45 THR HA   H   5.094 0.030 1 
       416  45  45 THR HB   H   3.886 0.030 1 
       417  45  45 THR HG2  H   1.179 0.030 1 
       418  45  45 THR C    C 173.026 0.300 1 
       419  45  45 THR CA   C  61.853 0.300 1 
       420  45  45 THR CB   C  71.072 0.300 1 
       421  45  45 THR CG2  C  22.808 0.300 1 
       422  45  45 THR N    N 114.801 0.300 1 
       423  46  46 VAL H    H   9.145 0.030 1 
       424  46  46 VAL HA   H   4.244 0.030 1 
       425  46  46 VAL HB   H   1.588 0.030 1 
       426  46  46 VAL HG1  H   0.685 0.030 1 
       427  46  46 VAL HG2  H   0.427 0.030 1 
       428  46  46 VAL C    C 174.278 0.300 1 
       429  46  46 VAL CA   C  61.137 0.300 1 
       430  46  46 VAL CB   C  32.999 0.300 1 
       431  46  46 VAL CG1  C  21.696 0.300 2 
       432  46  46 VAL CG2  C  21.127 0.300 2 
       433  46  46 VAL N    N 127.180 0.300 1 
       434  47  47 VAL H    H   9.041 0.030 1 
       435  47  47 VAL HA   H   5.004 0.030 1 
       436  47  47 VAL HB   H   1.722 0.030 1 
       437  47  47 VAL HG1  H   0.792 0.030 1 
       438  47  47 VAL HG2  H   0.787 0.030 1 
       439  47  47 VAL C    C 175.023 0.300 1 
       440  47  47 VAL CA   C  60.996 0.300 1 
       441  47  47 VAL CB   C  33.488 0.300 1 
       442  47  47 VAL CG1  C  21.303 0.300 2 
       443  47  47 VAL CG2  C  21.539 0.300 2 
       444  47  47 VAL N    N 128.169 0.300 1 
       445  48  48 PHE H    H   9.169 0.030 1 
       446  48  48 PHE HA   H   6.209 0.030 1 
       447  48  48 PHE HB2  H   2.898 0.030 2 
       448  48  48 PHE HB3  H   2.671 0.030 2 
       449  48  48 PHE HD1  H   6.842 0.030 1 
       450  48  48 PHE HD2  H   6.842 0.030 1 
       451  48  48 PHE HE1  H   7.100 0.030 1 
       452  48  48 PHE HE2  H   7.100 0.030 1 
       453  48  48 PHE HZ   H   7.302 0.030 1 
       454  48  48 PHE C    C 173.210 0.300 1 
       455  48  48 PHE CA   C  54.702 0.300 1 
       456  48  48 PHE CB   C  43.316 0.300 1 
       457  48  48 PHE CD1  C 131.974 0.300 1 
       458  48  48 PHE CD2  C 131.974 0.300 1 
       459  48  48 PHE CE1  C 132.062 0.300 1 
       460  48  48 PHE CE2  C 132.062 0.300 1 
       461  48  48 PHE CZ   C 130.937 0.300 1 
       462  48  48 PHE N    N 123.753 0.300 1 
       463  49  49 ARG H    H   8.693 0.030 1 
       464  49  49 ARG HA   H   4.817 0.030 1 
       465  49  49 ARG HB2  H   1.856 0.030 2 
       466  49  49 ARG HB3  H   1.567 0.030 2 
       467  49  49 ARG HD2  H   3.228 0.030 2 
       468  49  49 ARG HD3  H   2.749 0.030 2 
       469  49  49 ARG HE   H   7.490 0.030 1 
       470  49  49 ARG HG2  H   1.520 0.030 2 
       471  49  49 ARG HG3  H   1.250 0.030 2 
       472  49  49 ARG C    C 175.280 0.300 1 
       473  49  49 ARG CA   C  54.801 0.300 1 
       474  49  49 ARG CB   C  35.242 0.300 1 
       475  49  49 ARG CD   C  43.159 0.300 1 
       476  49  49 ARG CG   C  26.157 0.300 1 
       477  49  49 ARG N    N 118.793 0.300 1 
       478  49  49 ARG NE   N  84.060 0.300 1 
       479  50  50 ASP H    H   8.820 0.030 1 
       480  50  50 ASP HA   H   4.029 0.030 1 
       481  50  50 ASP HB2  H   2.666 0.030 2 
       482  50  50 ASP HB3  H   2.430 0.030 2 
       483  50  50 ASP C    C 178.592 0.300 1 
       484  50  50 ASP CA   C  53.498 0.300 1 
       485  50  50 ASP CB   C  40.543 0.300 1 
       486  50  50 ASP N    N 128.720 0.300 1 
       487  51  51 ILE H    H   8.315 0.030 1 
       488  51  51 ILE HA   H   3.892 0.030 1 
       489  51  51 ILE HB   H   1.821 0.030 1 
       490  51  51 ILE HD1  H   0.798 0.030 1 
       491  51  51 ILE HG12 H   1.289 0.030 2 
       492  51  51 ILE HG13 H   1.226 0.030 2 
       493  51  51 ILE HG2  H   0.873 0.030 1 
       494  51  51 ILE C    C 176.905 0.300 1 
       495  51  51 ILE CA   C  64.569 0.300 1 
       496  51  51 ILE CB   C  38.126 0.300 1 
       497  51  51 ILE CD1  C  14.314 0.300 1 
       498  51  51 ILE CG1  C  26.669 0.300 1 
       499  51  51 ILE CG2  C  18.641 0.300 1 
       500  51  51 ILE N    N 124.642 0.300 1 
       501  52  52 ASN H    H   8.677 0.030 1 
       502  52  52 ASN HA   H   4.760 0.030 1 
       503  52  52 ASN HB2  H   2.883 0.030 2 
       504  52  52 ASN HB3  H   2.654 0.030 2 
       505  52  52 ASN HD21 H   8.088 0.030 2 
       506  52  52 ASN HD22 H   6.942 0.030 2 
       507  52  52 ASN C    C 174.645 0.300 1 
       508  52  52 ASN CA   C  53.851 0.300 1 
       509  52  52 ASN CB   C  39.032 0.300 1 
       510  52  52 ASN N    N 119.201 0.300 1 
       511  52  52 ASN ND2  N 115.405 0.300 1 
       512  53  53 SER H    H   8.409 0.030 1 
       513  53  53 SER HA   H   4.663 0.030 1 
       514  53  53 SER HB2  H   3.902 0.030 2 
       515  53  53 SER HB3  H   3.838 0.030 2 
       516  53  53 SER C    C 173.861 0.300 1 
       517  53  53 SER CA   C  56.702 0.300 1 
       518  53  53 SER CB   C  65.730 0.300 1 
       519  53  53 SER N    N 116.494 0.300 1 
       520  54  54 GLN H    H   8.489 0.030 1 
       521  54  54 GLN HA   H   4.329 0.030 1 
       522  54  54 GLN HB2  H   2.251 0.030 2 
       523  54  54 GLN HB3  H   1.909 0.030 2 
       524  54  54 GLN HE21 H   7.511 0.030 2 
       525  54  54 GLN HE22 H   6.780 0.030 2 
       526  54  54 GLN HG2  H   2.325 0.030 1 
       527  54  54 GLN HG3  H   2.325 0.030 1 
       528  54  54 GLN C    C 175.789 0.300 1 
       529  54  54 GLN CA   C  55.857 0.300 1 
       530  54  54 GLN CB   C  28.847 0.300 1 
       531  54  54 GLN CG   C  33.977 0.300 1 
       532  54  54 GLN N    N 119.700 0.300 1 
       533  54  54 GLN NE2  N 113.054 0.300 1 
       534  55  55 GLN H    H   8.108 0.030 1 
       535  55  55 GLN HA   H   4.269 0.030 1 
       536  55  55 GLN HB2  H   1.975 0.030 2 
       537  55  55 GLN HB3  H   1.885 0.030 2 
       538  55  55 GLN HE21 H   7.403 0.030 2 
       539  55  55 GLN HE22 H   6.714 0.030 2 
       540  55  55 GLN HG2  H   2.190 0.030 1 
       541  55  55 GLN HG3  H   2.190 0.030 1 
       542  55  55 GLN C    C 174.076 0.300 1 
       543  55  55 GLN CA   C  55.689 0.300 1 
       544  55  55 GLN CB   C  29.352 0.300 1 
       545  55  55 GLN CG   C  33.670 0.300 1 
       546  55  55 GLN N    N 120.355 0.300 1 
       547  55  55 GLN NE2  N 110.869 0.300 1 
       548  56  56 GLU H    H   8.603 0.030 1 
       549  56  56 GLU HA   H   4.372 0.030 1 
       550  56  56 GLU HB2  H   1.769 0.030 1 
       551  56  56 GLU HB3  H   1.769 0.030 1 
       552  56  56 GLU HG2  H   2.058 0.030 2 
       553  56  56 GLU HG3  H   1.924 0.030 2 
       554  56  56 GLU C    C 175.058 0.300 1 
       555  56  56 GLU CA   C  55.594 0.300 1 
       556  56  56 GLU CB   C  31.640 0.300 1 
       557  56  56 GLU CG   C  37.373 0.300 1 
       558  56  56 GLU N    N 126.250 0.300 1 
       559  57  57 LEU H    H   8.520 0.030 1 
       560  57  57 LEU HA   H   4.458 0.030 1 
       561  57  57 LEU HB2  H   1.006 0.030 2 
       562  57  57 LEU HB3  H   0.268 0.030 2 
       563  57  57 LEU HD1  H   0.786 0.030 1 
       564  57  57 LEU HD2  H   0.811 0.030 1 
       565  57  57 LEU HG   H   1.361 0.030 1 
       566  57  57 LEU C    C 174.850 0.300 1 
       567  57  57 LEU CA   C  53.780 0.300 1 
       568  57  57 LEU CB   C  43.903 0.300 1 
       569  57  57 LEU CD1  C  25.407 0.300 2 
       570  57  57 LEU CD2  C  23.667 0.300 2 
       571  57  57 LEU CG   C  27.932 0.300 1 
       572  57  57 LEU N    N 127.205 0.300 1 
       573  58  58 GLN H    H   7.992 0.030 1 
       574  58  58 GLN HA   H   5.865 0.030 1 
       575  58  58 GLN HB2  H   1.924 0.030 2 
       576  58  58 GLN HB3  H   1.787 0.030 2 
       577  58  58 GLN HE21 H   7.570 0.030 2 
       578  58  58 GLN HE22 H   6.913 0.030 2 
       579  58  58 GLN HG2  H   2.192 0.030 1 
       580  58  58 GLN HG3  H   2.192 0.030 1 
       581  58  58 GLN C    C 175.948 0.300 1 
       582  58  58 GLN CA   C  53.944 0.300 1 
       583  58  58 GLN CB   C  32.786 0.300 1 
       584  58  58 GLN CG   C  33.553 0.300 1 
       585  58  58 GLN N    N 113.562 0.300 1 
       586  58  58 GLN NE2  N 112.841 0.300 1 
       587  59  59 ASN H    H   9.073 0.030 1 
       588  59  59 ASN HA   H   5.068 0.030 1 
       589  59  59 ASN HB2  H   2.445 0.030 2 
       590  59  59 ASN HB3  H   1.846 0.030 2 
       591  59  59 ASN HD21 H   7.426 0.030 2 
       592  59  59 ASN HD22 H   7.099 0.030 2 
       593  59  59 ASN C    C 172.790 0.300 1 
       594  59  59 ASN CA   C  53.023 0.300 1 
       595  59  59 ASN CB   C  45.541 0.300 1 
       596  59  59 ASN N    N 119.984 0.300 1 
       597  59  59 ASN ND2  N 109.455 0.300 1 
       598  60  60 ILE H    H   8.491 0.030 1 
       599  60  60 ILE HA   H   5.147 0.030 1 
       600  60  60 ILE HB   H   1.632 0.030 1 
       601  60  60 ILE HD1  H   0.643 0.030 1 
       602  60  60 ILE HG12 H   1.428 0.030 2 
       603  60  60 ILE HG13 H   1.030 0.030 2 
       604  60  60 ILE HG2  H   0.782 0.030 1 
       605  60  60 ILE C    C 175.088 0.300 1 
       606  60  60 ILE CA   C  59.853 0.300 1 
       607  60  60 ILE CB   C  40.891 0.300 1 
       608  60  60 ILE CD1  C  13.698 0.300 1 
       609  60  60 ILE CG1  C  27.446 0.300 1 
       610  60  60 ILE CG2  C  17.464 0.300 1 
       611  60  60 ILE N    N 119.480 0.300 1 
       612  61  61 THR H    H   8.755 0.030 1 
       613  61  61 THR HA   H   4.976 0.030 1 
       614  61  61 THR HB   H   4.348 0.030 1 
       615  61  61 THR HG2  H   1.395 0.030 1 
       616  61  61 THR C    C 172.097 0.300 1 
       617  61  61 THR CA   C  59.905 0.300 1 
       618  61  61 THR CB   C  69.505 0.300 1 
       619  61  61 THR CG2  C  18.806 0.300 1 
       620  61  61 THR N    N 118.083 0.300 1 
       621  62  62 THR H    H   8.325 0.030 1 
       622  62  62 THR HA   H   4.641 0.030 1 
       623  62  62 THR HB   H   4.578 0.030 1 
       624  62  62 THR HG2  H   1.361 0.030 1 
       625  62  62 THR C    C 174.386 0.300 1 
       626  62  62 THR CA   C  62.440 0.300 1 
       627  62  62 THR CB   C  69.355 0.300 1 
       628  62  62 THR CG2  C  21.689 0.300 1 
       629  62  62 THR N    N 115.077 0.300 1 
       630  63  63 ASP H    H   8.611 0.030 1 
       631  63  63 ASP HA   H   4.962 0.030 1 
       632  63  63 ASP HB2  H   2.971 0.030 2 
       633  63  63 ASP HB3  H   2.780 0.030 2 
       634  63  63 ASP C    C 172.906 0.300 1 
       635  63  63 ASP CA   C  52.981 0.300 1 
       636  63  63 ASP CB   C  43.465 0.300 1 
       637  63  63 ASP N    N 125.713 0.300 1 
       638  64  64 THR H    H   7.925 0.030 1 
       639  64  64 THR HA   H   3.088 0.030 1 
       640  64  64 THR HB   H   4.136 0.030 1 
       641  64  64 THR HG2  H   0.874 0.030 1 
       642  64  64 THR C    C 172.176 0.300 1 
       643  64  64 THR CA   C  59.078 0.300 1 
       644  64  64 THR CB   C  66.137 0.300 1 
       645  64  64 THR CG2  C  21.462 0.300 1 
       646  64  64 THR N    N 104.287 0.300 1 
       647  65  65 ARG H    H   6.387 0.030 1 
       648  65  65 ARG HA   H   4.221 0.030 1 
       649  65  65 ARG HB2  H   1.571 0.030 2 
       650  65  65 ARG HB3  H   1.443 0.030 2 
       651  65  65 ARG HD2  H   2.949 0.030 1 
       652  65  65 ARG HD3  H   2.949 0.030 1 
       653  65  65 ARG HG2  H   1.272 0.030 1 
       654  65  65 ARG HG3  H   1.272 0.030 1 
       655  65  65 ARG C    C 174.862 0.300 1 
       656  65  65 ARG CA   C  54.132 0.300 1 
       657  65  65 ARG CB   C  32.928 0.300 1 
       658  65  65 ARG CD   C  43.388 0.300 1 
       659  65  65 ARG CG   C  26.043 0.300 1 
       660  65  65 ARG N    N 115.062 0.300 1 
       661  66  66 PHE H    H   8.177 0.030 1 
       662  66  66 PHE HA   H   4.373 0.030 1 
       663  66  66 PHE HB2  H   3.498 0.030 2 
       664  66  66 PHE HB3  H   2.519 0.030 2 
       665  66  66 PHE HD1  H   7.093 0.030 1 
       666  66  66 PHE HD2  H   7.093 0.030 1 
       667  66  66 PHE HE1  H   7.337 0.030 1 
       668  66  66 PHE HE2  H   7.337 0.030 1 
       669  66  66 PHE HZ   H   7.317 0.030 1 
       670  66  66 PHE C    C 172.804 0.300 1 
       671  66  66 PHE CA   C  59.536 0.300 1 
       672  66  66 PHE CB   C  44.469 0.300 1 
       673  66  66 PHE CD1  C 130.975 0.300 1 
       674  66  66 PHE CD2  C 130.975 0.300 1 
       675  66  66 PHE CE1  C 131.766 0.300 1 
       676  66  66 PHE CE2  C 131.766 0.300 1 
       677  66  66 PHE CZ   C 130.198 0.300 1 
       678  66  66 PHE N    N 119.991 0.300 1 
       679  67  67 THR H    H   7.332 0.030 1 
       680  67  67 THR HA   H   4.628 0.030 1 
       681  67  67 THR HB   H   3.548 0.030 1 
       682  67  67 THR HG2  H   0.792 0.030 1 
       683  67  67 THR C    C 172.910 0.300 1 
       684  67  67 THR CA   C  61.261 0.300 1 
       685  67  67 THR CB   C  69.260 0.300 1 
       686  67  67 THR CG2  C  21.229 0.300 1 
       687  67  67 THR N    N 123.294 0.300 1 
       688  68  68 LEU H    H   8.776 0.030 1 
       689  68  68 LEU HA   H   4.192 0.030 1 
       690  68  68 LEU HB2  H   1.504 0.030 2 
       691  68  68 LEU HB3  H   0.740 0.030 2 
       692  68  68 LEU HD1  H   0.116 0.030 1 
       693  68  68 LEU HD2  H   0.172 0.030 1 
       694  68  68 LEU HG   H   1.398 0.030 1 
       695  68  68 LEU C    C 176.337 0.300 1 
       696  68  68 LEU CA   C  54.394 0.300 1 
       697  68  68 LEU CB   C  42.394 0.300 1 
       698  68  68 LEU CD1  C  22.349 0.300 2 
       699  68  68 LEU CD2  C  24.756 0.300 2 
       700  68  68 LEU CG   C  26.076 0.300 1 
       701  68  68 LEU N    N 126.969 0.300 1 
       702  69  69 THR H    H   7.921 0.030 1 
       703  69  69 THR HA   H   4.814 0.030 1 
       704  69  69 THR HB   H   4.155 0.030 1 
       705  69  69 THR HG2  H   0.943 0.030 1 
       706  69  69 THR C    C 173.856 0.300 1 
       707  69  69 THR CA   C  59.694 0.300 1 
       708  69  69 THR CB   C  71.829 0.300 1 
       709  69  69 THR CG2  C  21.278 0.300 1 
       710  69  69 THR N    N 111.246 0.300 1 
       711  70  70 GLY H    H   8.894 0.030 1 
       712  70  70 GLY HA2  H   3.930 0.030 2 
       713  70  70 GLY HA3  H   3.809 0.030 2 
       714  70  70 GLY C    C 175.589 0.300 1 
       715  70  70 GLY CA   C  46.178 0.300 1 
       716  70  70 GLY N    N 107.415 0.300 1 
       717  71  71 LEU H    H   8.341 0.030 1 
       718  71  71 LEU HA   H   4.195 0.030 1 
       719  71  71 LEU HB2  H   1.386 0.030 2 
       720  71  71 LEU HB3  H   0.969 0.030 2 
       721  71  71 LEU HD1  H  -0.025 0.030 1 
       722  71  71 LEU HD2  H   0.010 0.030 1 
       723  71  71 LEU HG   H   0.866 0.030 1 
       724  71  71 LEU C    C 175.422 0.300 1 
       725  71  71 LEU CA   C  53.429 0.300 1 
       726  71  71 LEU CB   C  40.650 0.300 1 
       727  71  71 LEU CD1  C  25.128 0.300 2 
       728  71  71 LEU CD2  C  19.681 0.300 2 
       729  71  71 LEU CG   C  25.974 0.300 1 
       730  71  71 LEU N    N 118.621 0.300 1 
       731  72  72 LYS H    H   8.298 0.030 1 
       732  72  72 LYS HA   H   4.631 0.030 1 
       733  72  72 LYS HB2  H   1.819 0.030 1 
       734  72  72 LYS HB3  H   1.819 0.030 1 
       735  72  72 LYS HD2  H   1.721 0.030 1 
       736  72  72 LYS HD3  H   1.721 0.030 1 
       737  72  72 LYS HE2  H   3.013 0.030 1 
       738  72  72 LYS HE3  H   3.013 0.030 1 
       739  72  72 LYS HG2  H   1.642 0.030 2 
       740  72  72 LYS HG3  H   1.529 0.030 2 
       741  72  72 LYS C    C 174.599 0.300 1 
       742  72  72 LYS CA   C  53.851 0.300 1 
       743  72  72 LYS CB   C  33.619 0.300 1 
       744  72  72 LYS CD   C  29.474 0.300 1 
       745  72  72 LYS CE   C  42.083 0.300 1 
       746  72  72 LYS CG   C  24.944 0.300 1 
       747  72  72 LYS N    N 121.340 0.300 1 
       748  73  73 PRO HA   H   5.086 0.030 1 
       749  73  73 PRO HB2  H   2.493 0.030 2 
       750  73  73 PRO HB3  H   1.931 0.030 2 
       751  73  73 PRO HD2  H   3.938 0.030 2 
       752  73  73 PRO HD3  H   3.558 0.030 2 
       753  73  73 PRO HG2  H   2.007 0.030 2 
       754  73  73 PRO HG3  H   1.924 0.030 2 
       755  73  73 PRO C    C 178.198 0.300 1 
       756  73  73 PRO CA   C  62.897 0.300 1 
       757  73  73 PRO CB   C  33.198 0.300 1 
       758  73  73 PRO CD   C  50.885 0.300 1 
       759  73  73 PRO CG   C  27.457 0.300 1 
       760  74  74 ASP H    H   7.537 0.030 1 
       761  74  74 ASP HA   H   4.290 0.030 1 
       762  74  74 ASP HB2  H   3.079 0.030 2 
       763  74  74 ASP HB3  H   1.986 0.030 2 
       764  74  74 ASP C    C 174.390 0.300 1 
       765  74  74 ASP CA   C  54.343 0.300 1 
       766  74  74 ASP CB   C  41.393 0.300 1 
       767  74  74 ASP N    N 126.834 0.300 1 
       768  75  75 THR H    H   8.197 0.030 1 
       769  75  75 THR HA   H   4.316 0.030 1 
       770  75  75 THR HB   H   3.918 0.030 1 
       771  75  75 THR HG2  H   0.669 0.030 1 
       772  75  75 THR C    C 172.076 0.300 1 
       773  75  75 THR CA   C  63.087 0.300 1 
       774  75  75 THR CB   C  71.822 0.300 1 
       775  75  75 THR CG2  C  19.728 0.300 1 
       776  75  75 THR N    N 113.905 0.300 1 
       777  76  76 THR H    H   8.606 0.030 1 
       778  76  76 THR HA   H   4.641 0.030 1 
       779  76  76 THR HB   H   3.889 0.030 1 
       780  76  76 THR HG2  H   1.053 0.030 1 
       781  76  76 THR C    C 172.308 0.300 1 
       782  76  76 THR CA   C  63.197 0.300 1 
       783  76  76 THR CB   C  68.333 0.300 1 
       784  76  76 THR CG2  C  22.183 0.300 1 
       785  76  76 THR N    N 124.170 0.300 1 
       786  77  77 TYR H    H   9.230 0.030 1 
       787  77  77 TYR HA   H   5.084 0.030 1 
       788  77  77 TYR HB2  H   2.743 0.030 2 
       789  77  77 TYR HB3  H   2.641 0.030 2 
       790  77  77 TYR HD1  H   7.038 0.030 1 
       791  77  77 TYR HD2  H   7.038 0.030 1 
       792  77  77 TYR HE1  H   6.898 0.030 1 
       793  77  77 TYR HE2  H   6.898 0.030 1 
       794  77  77 TYR C    C 174.065 0.300 1 
       795  77  77 TYR CA   C  57.443 0.300 1 
       796  77  77 TYR CB   C  41.115 0.300 1 
       797  77  77 TYR CD1  C 132.990 0.300 1 
       798  77  77 TYR CD2  C 132.990 0.300 1 
       799  77  77 TYR CE1  C 118.543 0.300 1 
       800  77  77 TYR CE2  C 118.543 0.300 1 
       801  77  77 TYR N    N 125.729 0.300 1 
       802  78  78 ASP H    H   9.222 0.030 1 
       803  78  78 ASP HA   H   5.288 0.030 1 
       804  78  78 ASP HB2  H   2.721 0.030 2 
       805  78  78 ASP HB3  H   2.361 0.030 2 
       806  78  78 ASP C    C 176.268 0.300 1 
       807  78  78 ASP CA   C  53.565 0.300 1 
       808  78  78 ASP CB   C  44.874 0.300 1 
       809  78  78 ASP N    N 124.016 0.300 1 
       810  79  79 ILE H    H   9.210 0.030 1 
       811  79  79 ILE HA   H   5.027 0.030 1 
       812  79  79 ILE HB   H   1.448 0.030 1 
       813  79  79 ILE HD1  H   0.699 0.030 1 
       814  79  79 ILE HG12 H   1.611 0.030 2 
       815  79  79 ILE HG13 H   0.779 0.030 2 
       816  79  79 ILE HG2  H   0.776 0.030 1 
       817  79  79 ILE C    C 172.968 0.300 1 
       818  79  79 ILE CA   C  61.102 0.300 1 
       819  79  79 ILE CB   C  41.830 0.300 1 
       820  79  79 ILE CD1  C  15.132 0.300 1 
       821  79  79 ILE CG1  C  27.975 0.300 1 
       822  79  79 ILE CG2  C  18.867 0.300 1 
       823  79  79 ILE N    N 127.527 0.300 1 
       824  80  80 LYS H    H   8.930 0.030 1 
       825  80  80 LYS HA   H   4.282 0.030 1 
       826  80  80 LYS HB2  H   1.706 0.030 2 
       827  80  80 LYS HB3  H   1.532 0.030 2 
       828  80  80 LYS HD2  H   1.585 0.030 2 
       829  80  80 LYS HD3  H   1.509 0.030 2 
       830  80  80 LYS HE2  H   2.860 0.030 1 
       831  80  80 LYS HE3  H   2.860 0.030 1 
       832  80  80 LYS HG2  H   1.356 0.030 2 
       833  80  80 LYS HG3  H   1.152 0.030 2 
       834  80  80 LYS C    C 173.716 0.300 1 
       835  80  80 LYS CA   C  54.749 0.300 1 
       836  80  80 LYS CB   C  37.864 0.300 1 
       837  80  80 LYS CD   C  30.611 0.300 1 
       838  80  80 LYS CE   C  42.196 0.300 1 
       839  80  80 LYS CG   C  24.493 0.300 1 
       840  80  80 LYS N    N 122.620 0.300 1 
       841  81  81 VAL H    H   8.070 0.030 1 
       842  81  81 VAL HA   H   5.365 0.030 1 
       843  81  81 VAL HB   H   1.082 0.030 1 
       844  81  81 VAL HG1  H   0.051 0.030 1 
       845  81  81 VAL HG2  H  -0.065 0.030 1 
       846  81  81 VAL C    C 174.099 0.300 1 
       847  81  81 VAL CA   C  59.228 0.300 1 
       848  81  81 VAL CB   C  36.108 0.300 1 
       849  81  81 VAL CG1  C  20.424 0.300 2 
       850  81  81 VAL CG2  C  20.814 0.300 2 
       851  81  81 VAL N    N 115.045 0.300 1 
       852  82  82 ARG H    H   8.733 0.030 1 
       853  82  82 ARG HA   H   4.984 0.030 1 
       854  82  82 ARG HB2  H   1.760 0.030 2 
       855  82  82 ARG HB3  H   1.417 0.030 2 
       856  82  82 ARG HD2  H   2.977 0.030 2 
       857  82  82 ARG HD3  H   2.944 0.030 2 
       858  82  82 ARG HE   H   7.082 0.030 1 
       859  82  82 ARG HG2  H   1.627 0.030 2 
       860  82  82 ARG HG3  H   1.287 0.030 2 
       861  82  82 ARG C    C 172.874 0.300 1 
       862  82  82 ARG CA   C  53.552 0.300 1 
       863  82  82 ARG CB   C  34.521 0.300 1 
       864  82  82 ARG CD   C  43.915 0.300 1 
       865  82  82 ARG CG   C  24.790 0.300 1 
       866  82  82 ARG N    N 122.032 0.300 1 
       867  82  82 ARG NE   N  80.300 0.300 1 
       868  83  83 ALA H    H   9.221 0.030 1 
       869  83  83 ALA HA   H   5.132 0.030 1 
       870  83  83 ALA HB   H   1.417 0.030 1 
       871  83  83 ALA C    C 174.998 0.300 1 
       872  83  83 ALA CA   C  50.383 0.300 1 
       873  83  83 ALA CB   C  23.472 0.300 1 
       874  83  83 ALA N    N 124.044 0.300 1 
       875  84  84 TRP H    H   8.387 0.030 1 
       876  84  84 TRP HA   H   5.020 0.030 1 
       877  84  84 TRP HB2  H   3.182 0.030 2 
       878  84  84 TRP HB3  H   2.795 0.030 2 
       879  84  84 TRP HD1  H   6.732 0.030 1 
       880  84  84 TRP HE1  H  10.442 0.030 1 
       881  84  84 TRP HE3  H   7.468 0.030 1 
       882  84  84 TRP HH2  H   7.140 0.030 1 
       883  84  84 TRP HZ2  H   7.353 0.030 1 
       884  84  84 TRP HZ3  H   7.093 0.030 1 
       885  84  84 TRP C    C 177.430 0.300 1 
       886  84  84 TRP CA   C  56.807 0.300 1 
       887  84  84 TRP CB   C  31.235 0.300 1 
       888  84  84 TRP CD1  C 126.818 0.300 1 
       889  84  84 TRP CE3  C 120.431 0.300 1 
       890  84  84 TRP CH2  C 124.470 0.300 1 
       891  84  84 TRP CZ2  C 114.145 0.300 1 
       892  84  84 TRP CZ3  C 121.973 0.300 1 
       893  84  84 TRP N    N 117.779 0.300 1 
       894  84  84 TRP NE1  N 130.135 0.300 1 
       895  85  85 THR H    H   8.698 0.030 1 
       896  85  85 THR HA   H   5.190 0.030 1 
       897  85  85 THR HB   H   4.717 0.030 1 
       898  85  85 THR HG2  H   1.016 0.030 1 
       899  85  85 THR C    C 176.429 0.300 1 
       900  85  85 THR CA   C  59.958 0.300 1 
       901  85  85 THR CB   C  72.646 0.300 1 
       902  85  85 THR CG2  C  21.690 0.300 1 
       903  85  85 THR N    N 111.404 0.300 1 
       904  86  86 SER H    H   9.765 0.030 1 
       905  86  86 SER HA   H   4.242 0.030 1 
       906  86  86 SER HB2  H   4.076 0.030 2 
       907  86  86 SER HB3  H   3.951 0.030 2 
       908  86  86 SER C    C 174.834 0.300 1 
       909  86  86 SER CA   C  61.014 0.300 1 
       910  86  86 SER CB   C  62.807 0.300 1 
       911  86  86 SER N    N 115.745 0.300 1 
       912  87  87 LYS H    H   7.947 0.030 1 
       913  87  87 LYS HA   H   4.426 0.030 1 
       914  87  87 LYS HB2  H   1.840 0.030 2 
       915  87  87 LYS HB3  H   1.472 0.030 2 
       916  87  87 LYS HD2  H   1.647 0.030 1 
       917  87  87 LYS HD3  H   1.647 0.030 1 
       918  87  87 LYS HE2  H   2.979 0.030 1 
       919  87  87 LYS HE3  H   2.979 0.030 1 
       920  87  87 LYS HG2  H   1.474 0.030 2 
       921  87  87 LYS HG3  H   1.353 0.030 2 
       922  87  87 LYS C    C 176.373 0.300 1 
       923  87  87 LYS CA   C  55.857 0.300 1 
       924  87  87 LYS CB   C  33.386 0.300 1 
       925  87  87 LYS CD   C  28.549 0.300 1 
       926  87  87 LYS CE   C  42.280 0.300 1 
       927  87  87 LYS CG   C  25.218 0.300 1 
       928  87  87 LYS N    N 118.254 0.300 1 
       929  88  88 GLY H    H   7.400 0.030 1 
       930  88  88 GLY HA2  H   4.446 0.030 2 
       931  88  88 GLY HA3  H   3.990 0.030 2 
       932  88  88 GLY C    C 171.366 0.300 1 
       933  88  88 GLY CA   C  45.006 0.300 1 
       934  88  88 GLY N    N 106.086 0.300 1 
       935  89  89 SER H    H   8.048 0.030 1 
       936  89  89 SER HA   H   3.899 0.030 1 
       937  89  89 SER HB2  H   2.618 0.030 2 
       938  89  89 SER HB3  H   1.340 0.030 2 
       939  89  89 SER CA   C  56.522 0.300 1 
       940  89  89 SER CB   C  63.965 0.300 1 
       941  89  89 SER N    N 113.549 0.300 1 
       942  90  90 GLY H    H   8.282 0.030 1 
       943  90  90 GLY HA2  H   4.637 0.030 2 
       944  90  90 GLY HA3  H   3.696 0.030 2 
       945  90  90 GLY CA   C  44.399 0.300 1 
       946  90  90 GLY N    N 109.030 0.300 1 
       947  91  91 PRO HA   H   4.448 0.030 1 
       948  91  91 PRO HB2  H   2.296 0.030 2 
       949  91  91 PRO HB3  H   1.953 0.030 2 
       950  91  91 PRO HD2  H   3.415 0.030 2 
       951  91  91 PRO HD3  H   3.244 0.030 2 
       952  91  91 PRO HG2  H   1.982 0.030 2 
       953  91  91 PRO HG3  H   1.690 0.030 2 
       954  91  91 PRO C    C 177.760 0.300 1 
       955  91  91 PRO CA   C  62.229 0.300 1 
       956  91  91 PRO CB   C  32.367 0.300 1 
       957  91  91 PRO CD   C  49.612 0.300 1 
       958  91  91 PRO CG   C  27.127 0.300 1 
       959  92  92 LEU H    H   8.373 0.030 1 
       960  92  92 LEU HA   H   4.110 0.030 1 
       961  92  92 LEU HB2  H   1.563 0.030 2 
       962  92  92 LEU HB3  H   1.370 0.030 2 
       963  92  92 LEU HD1  H   0.834 0.030 1 
       964  92  92 LEU HD2  H   0.673 0.030 1 
       965  92  92 LEU HG   H   1.416 0.030 1 
       966  92  92 LEU C    C 176.841 0.300 1 
       967  92  92 LEU CA   C  55.163 0.300 1 
       968  92  92 LEU CB   C  43.188 0.300 1 
       969  92  92 LEU CD1  C  25.867 0.300 2 
       970  92  92 LEU CD2  C  24.820 0.300 2 
       971  92  92 LEU CG   C  27.294 0.300 1 
       972  92  92 LEU N    N 121.096 0.300 1 
       973  93  93 SER H    H   8.629 0.030 1 
       974  93  93 SER HA   H   3.683 0.030 1 
       975  93  93 SER HB2  H   4.141 0.030 2 
       976  93  93 SER HB3  H   3.870 0.030 2 
       977  93  93 SER C    C 171.637 0.300 1 
       978  93  93 SER CA   C  56.900 0.300 1 
       979  93  93 SER CB   C  62.923 0.300 1 
       980  93  93 SER N    N 116.072 0.300 1 
       981  94  94 PRO HA   H   4.330 0.030 1 
       982  94  94 PRO HB2  H   2.286 0.030 2 
       983  94  94 PRO HB3  H   1.669 0.030 2 
       984  94  94 PRO HD2  H   2.855 0.030 2 
       985  94  94 PRO HD3  H   1.912 0.030 2 
       986  94  94 PRO HG2  H   1.898 0.030 2 
       987  94  94 PRO HG3  H   1.641 0.030 2 
       988  94  94 PRO C    C 178.093 0.300 1 
       989  94  94 PRO CA   C  63.309 0.300 1 
       990  94  94 PRO CB   C  31.463 0.300 1 
       991  94  94 PRO CD   C  49.383 0.300 1 
       992  94  94 PRO CG   C  27.720 0.300 1 
       993  95  95 SER H    H   8.722 0.030 1 
       994  95  95 SER HA   H   4.923 0.030 1 
       995  95  95 SER HB2  H   3.695 0.030 2 
       996  95  95 SER HB3  H   3.644 0.030 2 
       997  95  95 SER C    C 176.215 0.300 1 
       998  95  95 SER CA   C  58.955 0.300 1 
       999  95  95 SER CB   C  64.884 0.300 1 
      1000  95  95 SER N    N 122.184 0.300 1 
      1001  96  96 ILE H    H   8.915 0.030 1 
      1002  96  96 ILE HA   H   4.609 0.030 1 
      1003  96  96 ILE HB   H   1.878 0.030 1 
      1004  96  96 ILE HD1  H   0.732 0.030 1 
      1005  96  96 ILE HG12 H   1.184 0.030 2 
      1006  96  96 ILE HG13 H   0.917 0.030 2 
      1007  96  96 ILE HG2  H   0.916 0.030 1 
      1008  96  96 ILE C    C 174.546 0.300 1 
      1009  96  96 ILE CA   C  59.782 0.300 1 
      1010  96  96 ILE CB   C  40.995 0.300 1 
      1011  96  96 ILE CD1  C  15.043 0.300 1 
      1012  96  96 ILE CG1  C  26.191 0.300 1 
      1013  96  96 ILE CG2  C  17.701 0.300 1 
      1014  96  96 ILE N    N 115.463 0.300 1 
      1015  97  97 GLN H    H   8.292 0.030 1 
      1016  97  97 GLN HA   H   5.849 0.030 1 
      1017  97  97 GLN HB2  H   1.940 0.030 2 
      1018  97  97 GLN HB3  H   1.672 0.030 2 
      1019  97  97 GLN HE21 H   7.738 0.030 2 
      1020  97  97 GLN HE22 H   6.623 0.030 2 
      1021  97  97 GLN HG2  H   2.341 0.030 2 
      1022  97  97 GLN HG3  H   2.282 0.030 2 
      1023  97  97 GLN C    C 176.173 0.300 1 
      1024  97  97 GLN CA   C  54.361 0.300 1 
      1025  97  97 GLN CB   C  31.102 0.300 1 
      1026  97  97 GLN CG   C  34.604 0.300 1 
      1027  97  97 GLN N    N 117.686 0.300 1 
      1028  97  97 GLN NE2  N 111.887 0.300 1 
      1029  98  98 SER H    H   8.751 0.030 1 
      1030  98  98 SER HA   H   4.618 0.030 1 
      1031  98  98 SER HB2  H   3.506 0.030 2 
      1032  98  98 SER HB3  H   3.414 0.030 2 
      1033  98  98 SER C    C 172.310 0.300 1 
      1034  98  98 SER CA   C  57.019 0.300 1 
      1035  98  98 SER CB   C  64.588 0.300 1 
      1036  98  98 SER N    N 115.969 0.300 1 
      1037  99  99 ARG H    H   8.519 0.030 1 
      1038  99  99 ARG HA   H   5.627 0.030 1 
      1039  99  99 ARG HB2  H   1.748 0.030 2 
      1040  99  99 ARG HB3  H   1.535 0.030 2 
      1041  99  99 ARG HD2  H   2.991 0.030 2 
      1042  99  99 ARG HD3  H   2.968 0.030 2 
      1043  99  99 ARG HE   H   6.750 0.030 1 
      1044  99  99 ARG HG2  H   1.831 0.030 2 
      1045  99  99 ARG HG3  H   1.226 0.030 2 
      1046  99  99 ARG C    C 176.394 0.300 1 
      1047  99  99 ARG CA   C  53.705 0.300 1 
      1048  99  99 ARG CB   C  32.853 0.300 1 
      1049  99  99 ARG CD   C  44.024 0.300 1 
      1050  99  99 ARG CG   C  27.158 0.300 1 
      1051  99  99 ARG N    N 132.343 0.300 1 
      1052  99  99 ARG NE   N  85.875 0.300 1 
      1053 100 100 THR H    H   8.808 0.030 1 
      1054 100 100 THR HA   H   4.182 0.030 1 
      1055 100 100 THR HB   H   4.745 0.030 1 
      1056 100 100 THR HG2  H   1.115 0.030 1 
      1057 100 100 THR C    C 175.465 0.300 1 
      1058 100 100 THR CA   C  61.701 0.300 1 
      1059 100 100 THR CB   C  69.515 0.300 1 
      1060 100 100 THR CG2  C  25.083 0.300 1 
      1061 100 100 THR N    N 116.147 0.300 1 
      1062 101 101 MET H    H   7.254 0.030 1 
      1063 101 101 MET HA   H   4.504 0.030 1 
      1064 101 101 MET HB2  H   2.547 0.030 2 
      1065 101 101 MET HB3  H   2.455 0.030 2 
      1066 101 101 MET HE   H   2.126 0.030 1 
      1067 101 101 MET HG2  H   2.261 0.030 2 
      1068 101 101 MET HG3  H   1.379 0.030 2 
      1069 101 101 MET C    C 174.574 0.300 1 
      1070 101 101 MET CA   C  54.324 0.300 1 
      1071 101 101 MET CB   C  32.235 0.300 1 
      1072 101 101 MET CE   C  17.187 0.300 1 
      1073 101 101 MET CG   C  32.330 0.300 1 
      1074 101 101 MET N    N 117.475 0.300 1 
      1075 102 102 PRO HA   H   4.647 0.030 1 
      1076 102 102 PRO HB2  H   2.078 0.030 2 
      1077 102 102 PRO HB3  H   2.004 0.030 2 
      1078 102 102 PRO HD2  H   3.921 0.030 2 
      1079 102 102 PRO HD3  H   3.631 0.030 2 
      1080 102 102 PRO HG2  H   1.997 0.030 1 
      1081 102 102 PRO HG3  H   1.997 0.030 1 
      1082 102 102 PRO CA   C  62.553 0.300 1 
      1083 102 102 PRO CB   C  32.011 0.300 1 
      1084 102 102 PRO CD   C  49.821 0.300 1 
      1085 102 102 PRO CG   C  26.937 0.300 1 
      1086 103 103 VAL H    H   7.823 0.030 1 
      1087 103 103 VAL HA   H   3.898 0.030 1 
      1088 103 103 VAL HB   H   2.030 0.030 1 
      1089 103 103 VAL HG1  H   0.935 0.030 1 
      1090 103 103 VAL HG2  H   0.928 0.030 1 
      1091 103 103 VAL CA   C  64.201 0.300 1 
      1092 103 103 VAL CB   C  32.565 0.300 1 
      1093 103 103 VAL CG1  C  21.577 0.300 2 
      1094 103 103 VAL CG2  C  20.863 0.300 2 
      1095 103 103 VAL N    N 121.205 0.300 1 

   stop_

save_