data_6475

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

save_entry_information
   _Saveframe_category      entry_information

   _Entry_title            
;
1H, 13C and 15N Chemical Shift assignments for Man5C-CBM35 from C. japonicus
;
   _BMRB_accession_number   6475
   _BMRB_flat_file_name     bmr6475.str
   _Entry_type              original
   _Submission_date         2005-01-31
   _Accession_date          2005-01-31
   _Entry_origination       author
   _NMR_STAR_version        2.1.1
   _Experimental_method     NMR
   _Details                'Valine and Leucine methyls stereospecifically assigned'

   loop_
      _Author_ordinal
      _Author_family_name
      _Author_given_name
      _Author_middle_initials
      _Author_family_title

      1 Tunnicliffe Richard B. . 
      2 Williamson  Mike    P. . 

   stop_

   loop_
      _Saveframe_category_type
      _Saveframe_category_type_count

      assigned_chemical_shifts 1 

   stop_

   loop_
      _Data_type
      _Data_type_count

      "1H chemical shifts"  665 
      "13C chemical shifts" 524 
      "15N chemical shifts" 133 

   stop_

   loop_
      _Revision_date
      _Revision_keyword
      _Revision_author
      _Revision_detail

      2006-11-13 update   author 'update PDB link, etc.' 
      2005-05-27 original author 'original release'      

   stop_

save_


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

save_citation_1
   _Saveframe_category           entry_citation

   _Citation_full                .
   _Citation_title              
;
Structure of a Mannan-specific Family 35 Carbohydrate-Binding Module: Evidence 
for Significant Conformational Changes upon Ligand Binding
;
   _Citation_status              published
   _Citation_type                journal
   _CAS_abstract_code            .
   _MEDLINE_UI_code              .
   _PubMed_ID                    15740741

   loop_
      _Author_ordinal
      _Author_family_name
      _Author_given_name
      _Author_middle_initials
      _Author_family_title

      1 Tunnicliffe Richard B . 
      2 Bolam       David   N . 
      3 Pell        Gavin   . . 
      4 Gilbert     Harry   J . 
      5 Williamson  Mike    P . 

   stop_

   _Journal_abbreviation        'J. Mol. Biol.'
   _Journal_volume               347
   _Journal_issue                2
   _Journal_CSD                  .
   _Book_chapter_title           .
   _Book_volume                  .
   _Book_series                  .
   _Book_ISBN                    .
   _Conference_state_province    .
   _Conference_abstract_number   .
   _Page_first                   287
   _Page_last                    296
   _Year                         2005
   _Details                      .

   loop_
      _Keyword

      'carbohydrate-binding module' 
      'NMR structure'               
       mannan                       
      'binding specificity'         
      'decorated oligosaccharides'  

   stop_

save_


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

save_assembly
   _Saveframe_category         molecular_system

   _Mol_system_name           'Man5C CBM35 Mannan Binding Module'
   _Abbreviation_common       'Man5C CBM35 Mannan Binding Module'
   _Enzyme_commission_number   .

   loop_
      _Mol_system_component_name
      _Mol_label

      Man5C-CBM35 $Man5C-CBM35 

   stop_

   _System_molecular_weight    14933.7
   _System_physical_state      native
   _System_oligomer_state      monomer
   _System_paramagnetic        no
   _System_thiol_state        'not present'
   _Database_query_date        .
   _Details                    .

save_


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

save_Man5C-CBM35
   _Saveframe_category                          monomeric_polymer

   _Mol_type                                    polymer
   _Mol_polymer_class                           protein
   _Name_common                                 Man5C-CBM35
   _Abbreviation_common                         Man5C-CBM35
   _Molecular_mass                              14933.7
   _Mol_thiol_state                            'not present'

   loop_
      _Biological_function

      'Mannan binding module' 

   stop_

   _Details                                     .

   	##############################
   	#  Polymer residue sequence  #
   	##############################
   
      _Residue_count                               132
   _Mol_residue_sequence                       
;
MAVPEGNSWTYTAASASITA
PAQLVGNVGELQGAGSAVIW
NVDVPVTGEYRINLTWSSPY
SSKVNTLVMDGTALSYAFAE
ATVPVTYVQTKTLSAGNHSF
GVRVGSSDWGYMNVHSLKLE
LLGGLTIRSPAN
;

   loop_
      _Residue_seq_code
      _Residue_label

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

   stop_

   _Sequence_homology_query_date                .
   _Sequence_homology_query_revised_last_date   2015-01-28

   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 2BGO         "Mannan Binding Module From Man5c"                               100.00 140 100.00 100.00 2.35e-88 
      PDB 2BGP         "Mannan Binding Module From Man5c In Bound Conformation"         100.00 140 100.00 100.00 2.35e-88 
      GB  AAO31761     "endo-b1,4-mannanase 5C [Cellvibrio japonicus]"                  100.00 830 100.00 100.00 3.88e-81 
      GB  ACE82655     "endo-1, 4-beta mannanase, man5C [Cellvibrio japonicus Ueda107]" 100.00 830 100.00 100.00 5.30e-81 
      REF WP_012489045 "endo- 1,4-beta-mannanase [Cellvibrio japonicus]"                100.00 830 100.00 100.00 5.30e-81 
      REF YP_001983923 "endo- 1,4-beta-mannanase [Cellvibrio japonicus Ueda107]"        100.00 830 100.00 100.00 5.30e-81 

   stop_

save_


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

save_natural_source
   _Saveframe_category   natural_source


   loop_
      _Mol_label
      _Organism_name_common
      _NCBI_taxonomy_ID
      _Superkingdom
      _Kingdom
      _Genus
      _Species

      $Man5C-CBM35 'Cellvibrio japonicus' 155077 Bacteria . Cellvibrio 'Cellvibrio japonicus' 

   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

      $Man5C-CBM35 'recombinant technology' 'E. coli' Escherichia Coli 'JM83 (DE3)' Plasmid pET22b 

   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

      $Man5C-CBM35        1.0 mM '[U-95% 13C; U-95% 15N]' 
      'sodium phosphate' 50   mM  .                       

   stop_

save_


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

save_software_1
   _Saveframe_category   software

   _Name                 Felix
   _Version              2000

   loop_
      _Vendor
      _Address
      _Electronic_address

      Accelrys 'San Diego, CA' . 

   stop_

   loop_
      _Task

      Processing 
      analysis   

   stop_

   _Details              .

save_


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

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

save_NMR_spectrometer_1
   _Saveframe_category   NMR_spectrometer

   _Manufacturer         Bruker
   _Model                DRX
   _Field_strength       800
   _Details              .

save_


save_NMR_spectrometer_2
   _Saveframe_category   NMR_spectrometer

   _Manufacturer         Bruker
   _Model                DRX
   _Field_strength       500
   _Details              .

save_


save_NMR_spectrometer_3
   _Saveframe_category   NMR_spectrometer

   _Manufacturer         Bruker
   _Model                DRX
   _Field_strength       600
   _Details              .

save_


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

save_HSQC_(15N_and_13C)_1
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     'HSQC (15N and 13C)'
   _Sample_label        $sample_1

save_


save_HNCO_2
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name      HNCO
   _Sample_label        $sample_1

save_


save_HNCA_3
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name      HNCA
   _Sample_label        $sample_1

save_


save_HN(CA)CO_4
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name      HN(CA)CO
   _Sample_label        $sample_1

save_


save_HN(CO)CA_5
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name      HN(CO)CA
   _Sample_label        $sample_1

save_


save_CBCA(CO)NH_6
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name      CBCA(CO)NH
   _Sample_label        $sample_1

save_


save_HBHA(CBCACO)NH_7
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name      HBHA(CBCACO)NH
   _Sample_label        $sample_1

save_


save_CCH-TOCSY_8
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name      CCH-TOCSY
   _Sample_label        $sample_1

save_


save_HCCH-TOCSY_9
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name      HCCH-TOCSY
   _Sample_label        $sample_1

save_


save_15N,13C-edited_NOESY_10
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '15N,13C-edited NOESY'
   _Sample_label        $sample_1

save_


save_NMR_spec_expt__0_1
   _Saveframe_category                     NMR_applied_experiment

   _Experiment_name                       'HSQC (15N and 13C)'
   _BMRB_pulse_sequence_accession_number   .
   _Details                                .

save_


save_NMR_spec_expt__0_2
   _Saveframe_category                     NMR_applied_experiment

   _Experiment_name                        HNCO
   _BMRB_pulse_sequence_accession_number   .
   _Details                                .

save_


save_NMR_spec_expt__0_3
   _Saveframe_category                     NMR_applied_experiment

   _Experiment_name                        HNCA
   _BMRB_pulse_sequence_accession_number   .
   _Details                                .

save_


save_NMR_spec_expt__0_4
   _Saveframe_category                     NMR_applied_experiment

   _Experiment_name                        HN(CA)CO
   _BMRB_pulse_sequence_accession_number   .
   _Details                                .

save_


save_NMR_spec_expt__0_5
   _Saveframe_category                     NMR_applied_experiment

   _Experiment_name                        HN(CO)CA
   _BMRB_pulse_sequence_accession_number   .
   _Details                                .

save_


save_NMR_spec_expt__0_6
   _Saveframe_category                     NMR_applied_experiment

   _Experiment_name                        CBCA(CO)NH
   _BMRB_pulse_sequence_accession_number   .
   _Details                                .

save_


save_NMR_spec_expt__0_7
   _Saveframe_category                     NMR_applied_experiment

   _Experiment_name                        HBHA(CBCACO)NH
   _BMRB_pulse_sequence_accession_number   .
   _Details                                .

save_


save_NMR_spec_expt__0_8
   _Saveframe_category                     NMR_applied_experiment

   _Experiment_name                        CCH-TOCSY
   _BMRB_pulse_sequence_accession_number   .
   _Details                                .

save_


save_NMR_spec_expt__0_9
   _Saveframe_category                     NMR_applied_experiment

   _Experiment_name                        HCCH-TOCSY
   _BMRB_pulse_sequence_accession_number   .
   _Details                                .

save_


save_NMR_spec_expt__0_10
   _Saveframe_category                     NMR_applied_experiment

   _Experiment_name                       '15N,13C-edited NOESY'
   _BMRB_pulse_sequence_accession_number   .
   _Details                                .

save_


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

save_conditions_1
   _Saveframe_category   sample_conditions

   _Details              .

   loop_
      _Variable_type
      _Variable_value
      _Variable_value_error
      _Variable_value_units

      pH            6.0 0.1 pH 
      temperature 298   0.5 K  

   stop_

save_


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

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

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

save_chemical_shift_referencing
   _Saveframe_category   chemical_shift_reference

   _Details              .

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

      TSP H  1 'methyl protons' ppm 0.0 internal direct   . . . 1.000000000 $citation_1 $citation_1 
      DSS C 13 'methyl protons' ppm 0.0 .        indirect . . . 0.251449530 $citation_1 $citation_1 
      DSS N 15 'methyl protons' ppm 0.0 .        indirect . . . 0.101329118 $citation_1 $citation_1 

   stop_

save_


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

###################################################################
#       Chemical Shift Ambiguity Index Value Definitions          #
#                                                                 #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains.                              #
#                                                                 #
#   Index Value            Definition                             #
#                                                                 #
#      1             Unique (including isolated methyl protons,   #
#                         geminal atoms, and geminal methyl       #
#                         groups with identical chemical shifts)  #
#                         (e.g. ILE HD11, HD12, HD13 protons)     #
#      2             Ambiguity of geminal atoms or geminal methyl #
#                         proton groups (e.g. ASP HB2 and HB3     #
#                         protons, LEU CD1 and CD2 carbons, or    #
#                         LEU HD11, HD12, HD13 and HD21, HD22,    #
#                         HD23 methyl protons)                    #
#      3             Aromatic atoms on opposite sides of          #
#                         symmetrical rings (e.g. TYR HE1 and HE2 #
#                         protons)                                #
#      4             Intraresidue ambiguities (e.g. LYS HG and    #
#                         HD protons or TRP HZ2 and HZ3 protons)  #
#      5             Interresidue ambiguities (LYS 12 vs. LYS 27) #
#      6             Intermolecular ambiguities (e.g. ASP 31 CA   #
#                         in monomer 1 and ASP 31 CA in monomer 2 #
#                         of an asymmetrical homodimer, duplex    #
#                         DNA assignments, or other assignments   #
#                         that may apply to atoms in one or more  #
#                         molecule in the molecular assembly)     #
#      9             Ambiguous, specific ambiguity not defined    #
#                                                                 #
###################################################################
save_chem_shift_list_1
   _Saveframe_category               assigned_chemical_shifts

   _Details                          .

   loop_
      _Software_label

      $software_1 

   stop_

   loop_
      _Experiment_label

      'HSQC (15N and 13C)'   
       HNCO                  
       HNCA                  
       HN(CA)CO              
       HN(CO)CA              
       CBCA(CO)NH            
       HBHA(CBCACO)NH        
       CCH-TOCSY             
       HCCH-TOCSY            
      '15N,13C-edited NOESY' 

   stop_

   loop_
      _Sample_label

      $sample_1 

   stop_

   _Sample_conditions_label         $conditions_1
   _Chem_shift_reference_set_label  $chemical_shift_referencing
   _Mol_system_component_name        Man5C-CBM35
   _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 .   2 ALA HA   H   4.038 0.02 1 
         2 .   2 ALA HB   H   1.396 0.02 1 
         3 .   2 ALA C    C 173.630 0.1  1 
         4 .   2 ALA CA   C  51.430 0.1  1 
         5 .   2 ALA CB   C  19.170 0.1  1 
         6 .   3 VAL H    H   8.400 0.02 1 
         7 .   3 VAL HA   H   4.391 0.02 1 
         8 .   3 VAL HB   H   2.010 0.02 1 
         9 .   3 VAL HG1  H   0.889 0.02 1 
        10 .   3 VAL HG2  H   0.828 0.02 1 
        11 .   3 VAL C    C 174.310 0.1  1 
        12 .   3 VAL CA   C  59.755 0.1  1 
        13 .   3 VAL CB   C  32.147 0.1  1 
        14 .   3 VAL CG1  C  20.817 0.1  1 
        15 .   3 VAL CG2  C  19.887 0.1  1 
        16 .   3 VAL N    N 120.350 0.1  1 
        17 .   4 PRO HA   H   4.306 0.02 1 
        18 .   4 PRO HB2  H   1.779 0.02 2 
        19 .   4 PRO HB3  H   2.172 0.02 2 
        20 .   4 PRO HG2  H   1.096 0.02 2 
        21 .   4 PRO HG3  H   1.574 0.02 2 
        22 .   4 PRO HD2  H   3.536 0.02 2 
        23 .   4 PRO HD3  H   3.777 0.02 2 
        24 .   4 PRO C    C 176.505 0.1  1 
        25 .   4 PRO CA   C  63.023 0.1  1 
        26 .   4 PRO CB   C  31.729 0.1  1 
        27 .   4 PRO CG   C  27.163 0.1  1 
        28 .   4 PRO CD   C  50.597 0.1  1 
        29 .   5 GLU H    H   8.435 0.02 1 
        30 .   5 GLU HA   H   4.144 0.02 1 
        31 .   5 GLU HB2  H   1.847 0.02 2 
        32 .   5 GLU HB3  H   1.914 0.02 2 
        33 .   5 GLU HG2  H   2.194 0.02 1 
        34 .   5 GLU HG3  H   2.194 0.02 1 
        35 .   5 GLU C    C 176.856 0.1  1 
        36 .   5 GLU CA   C  56.708 0.1  1 
        37 .   5 GLU CB   C  30.066 0.1  1 
        38 .   5 GLU CG   C  36.051 0.1  1 
        39 .   5 GLU N    N 121.529 0.1  1 
        40 .   6 GLY H    H   8.323 0.02 1 
        41 .   6 GLY HA2  H   3.745 0.02 2 
        42 .   6 GLY HA3  H   3.863 0.02 2 
        43 .   6 GLY C    C 173.327 0.1  1 
        44 .   6 GLY CA   C  44.981 0.1  1 
        45 .   6 GLY N    N 109.932 0.1  1 
        46 .   7 ASN H    H   8.027 0.02 1 
        47 .   7 ASN HA   H   4.392 0.02 1 
        48 .   7 ASN HB2  H   2.711 0.02 1 
        49 .   7 ASN HB3  H   2.711 0.02 1 
        50 .   7 ASN HD21 H   7.310 0.02 2 
        51 .   7 ASN HD22 H   6.740 0.02 2 
        52 .   7 ASN C    C 172.853 0.1  1 
        53 .   7 ASN CA   C  52.597 0.1  1 
        54 .   7 ASN CB   C  39.098 0.1  1 
        55 .   7 ASN N    N 117.021 0.1  1 
        56 .   7 ASN ND2  N 112.200 0.1  1 
        57 .   8 SER H    H   6.677 0.02 1 
        58 .   8 SER HA   H   5.000 0.02 1 
        59 .   8 SER HB2  H   3.387 0.02 2 
        60 .   8 SER HB3  H   3.431 0.02 2 
        61 .   8 SER C    C 172.060 0.1  1 
        62 .   8 SER CA   C  56.580 0.1  1 
        63 .   8 SER CB   C  65.256 0.1  1 
        64 .   8 SER N    N 111.885 0.1  1 
        65 .   9 TRP H    H   8.780 0.02 1 
        66 .   9 TRP HA   H   4.531 0.02 1 
        67 .   9 TRP HB2  H   2.990 0.02 2 
        68 .   9 TRP HB3  H   3.031 0.02 2 
        69 .   9 TRP HD1  H   7.219 0.02 1 
        70 .   9 TRP HE1  H  10.094 0.02 1 
        71 .   9 TRP HE3  H   7.636 0.02 1 
        72 .   9 TRP HZ2  H   7.411 0.02 1 
        73 .   9 TRP HZ3  H   6.948 0.02 1 
        74 .   9 TRP HH2  H   7.022 0.02 1 
        75 .   9 TRP C    C 173.969 0.1  1 
        76 .   9 TRP CA   C  58.572 0.1  1 
        77 .   9 TRP CB   C  32.903 0.1  1 
        78 .   9 TRP CD1  C 127.360 0.1  1 
        79 .   9 TRP CE3  C 121.034 0.1  1 
        80 .   9 TRP CZ2  C 114.890 0.1  1 
        81 .   9 TRP CZ3  C 120.901 0.1  1 
        82 .   9 TRP CH2  C 123.104 0.1  1 
        83 .   9 TRP N    N 122.941 0.1  1 
        84 .   9 TRP NE1  N 129.949 0.1  1 
        85 .  10 THR H    H   8.220 0.02 1 
        86 .  10 THR HA   H   4.874 0.02 1 
        87 .  10 THR HB   H   3.695 0.02 1 
        88 .  10 THR HG2  H   0.904 0.02 1 
        89 .  10 THR C    C 172.746 0.1  1 
        90 .  10 THR CA   C  61.739 0.1  1 
        91 .  10 THR CB   C  69.903 0.1  1 
        92 .  10 THR CG2  C  20.723 0.1  1 
        93 .  10 THR N    N 118.337 0.1  1 
        94 .  11 TYR H    H   9.371 0.02 1 
        95 .  11 TYR HA   H   4.833 0.02 1 
        96 .  11 TYR HB2  H   2.055 0.02 2 
        97 .  11 TYR HB3  H   3.024 0.02 2 
        98 .  11 TYR HD1  H   6.867 0.02 1 
        99 .  11 TYR HD2  H   6.867 0.02 1 
       100 .  11 TYR HE1  H   6.621 0.02 1 
       101 .  11 TYR HE2  H   6.621 0.02 1 
       102 .  11 TYR C    C 176.153 0.1  1 
       103 .  11 TYR CA   C  56.050 0.1  1 
       104 .  11 TYR CB   C  41.441 0.1  1 
       105 .  11 TYR CD1  C 133.460 0.1  1 
       106 .  11 TYR CE1  C 117.767 0.1  1 
       107 .  11 TYR N    N 126.040 0.1  1 
       108 .  12 THR H    H   9.153 0.02 1 
       109 .  12 THR HA   H   5.100 0.02 1 
       110 .  12 THR HB   H   5.057 0.02 1 
       111 .  12 THR HG2  H   1.339 0.02 1 
       112 .  12 THR C    C 177.572 0.1  1 
       113 .  12 THR CA   C  60.995 0.1  1 
       114 .  12 THR CB   C  70.414 0.1  1 
       115 .  12 THR CG2  C  20.714 0.1  1 
       116 .  12 THR N    N 112.941 0.1  1 
       117 .  13 ALA H    H   8.252 0.02 1 
       118 .  13 ALA HA   H   3.862 0.02 1 
       119 .  13 ALA HB   H   1.158 0.02 1 
       120 .  13 ALA C    C 176.803 0.1  1 
       121 .  13 ALA CA   C  55.234 0.1  1 
       122 .  13 ALA CB   C  17.796 0.1  1 
       123 .  13 ALA N    N 124.543 0.1  1 
       124 .  14 ALA H    H   7.858 0.02 1 
       125 .  14 ALA HA   H   4.112 0.02 1 
       126 .  14 ALA HB   H   1.417 0.02 1 
       127 .  14 ALA C    C 178.471 0.1  1 
       128 .  14 ALA CA   C  54.249 0.1  1 
       129 .  14 ALA CB   C  18.152 0.1  1 
       130 .  14 ALA N    N 117.355 0.1  1 
       131 .  15 SER H    H   7.730 0.02 1 
       132 .  15 SER HA   H   4.746 0.02 1 
       133 .  15 SER HB2  H   4.227 0.02 2 
       134 .  15 SER HB3  H   4.290 0.02 2 
       135 .  15 SER C    C 174.158 0.1  1 
       136 .  15 SER CA   C  57.986 0.1  1 
       137 .  15 SER CB   C  63.952 0.1  1 
       138 .  15 SER N    N 110.508 0.1  1 
       139 .  16 ALA H    H   7.225 0.02 1 
       140 .  16 ALA HA   H   3.819 0.02 1 
       141 .  16 ALA HB   H  -0.088 0.02 1 
       142 .  16 ALA C    C 176.676 0.1  1 
       143 .  16 ALA CA   C  51.483 0.1  1 
       144 .  16 ALA CB   C  18.398 0.1  1 
       145 .  16 ALA N    N 124.955 0.1  1 
       146 .  17 SER H    H   8.740 0.02 1 
       147 .  17 SER HA   H   4.389 0.02 1 
       148 .  17 SER HB2  H   3.706 0.02 1 
       149 .  17 SER HB3  H   3.706 0.02 1 
       150 .  17 SER C    C 174.353 0.1  1 
       151 .  17 SER CA   C  58.148 0.1  1 
       152 .  17 SER CB   C  62.405 0.1  1 
       153 .  17 SER N    N 115.445 0.1  1 
       154 .  18 ILE H    H   8.802 0.02 1 
       155 .  18 ILE HA   H   4.540 0.02 1 
       156 .  18 ILE HB   H   1.801 0.02 1 
       157 .  18 ILE HG12 H   1.097 0.02 2 
       158 .  18 ILE HG13 H   1.232 0.02 2 
       159 .  18 ILE HG2  H   0.427 0.02 1 
       160 .  18 ILE HD1  H   0.493 0.02 1 
       161 .  18 ILE C    C 176.111 0.1  1 
       162 .  18 ILE CA   C  58.867 0.1  1 
       163 .  18 ILE CB   C  37.300 0.1  1 
       164 .  18 ILE CG1  C  26.627 0.1  1 
       165 .  18 ILE CG2  C  16.917 0.1  1 
       166 .  18 ILE CD1  C  11.803 0.1  1 
       167 .  18 ILE N    N 131.917 0.1  1 
       168 .  19 THR H    H   8.836 0.02 1 
       169 .  19 THR HA   H   4.365 0.02 1 
       170 .  19 THR HB   H   3.915 0.02 1 
       171 .  19 THR HG2  H   1.267 0.02 1 
       172 .  19 THR C    C 173.709 0.1  1 
       173 .  19 THR CA   C  61.504 0.1  1 
       174 .  19 THR CB   C  69.386 0.1  1 
       175 .  19 THR CG2  C  21.502 0.1  1 
       176 .  19 THR N    N 125.998 0.1  1 
       177 .  20 ALA H    H   8.803 0.02 1 
       178 .  20 ALA HA   H   4.623 0.02 1 
       179 .  20 ALA HB   H   1.280 0.02 1 
       180 .  20 ALA C    C 175.554 0.1  1 
       181 .  20 ALA CA   C  51.427 0.1  1 
       182 .  20 ALA CB   C  17.099 0.1  1 
       183 .  20 ALA N    N 132.962 0.1  1 
       184 .  21 PRO HA   H   4.269 0.02 1 
       185 .  21 PRO HB2  H   2.073 0.02 2 
       186 .  21 PRO HB3  H   2.328 0.02 2 
       187 .  21 PRO HG2  H   1.462 0.02 2 
       188 .  21 PRO HG3  H   1.719 0.02 2 
       189 .  21 PRO HD2  H   3.308 0.02 2 
       190 .  21 PRO HD3  H   3.113 0.02 2 
       191 .  21 PRO C    C 176.329 0.1  1 
       192 .  21 PRO CA   C  63.380 0.1  1 
       193 .  21 PRO CB   C  32.617 0.1  1 
       194 .  21 PRO CG   C  24.193 0.1  1 
       195 .  21 PRO CD   C  49.799 0.1  1 
       196 .  22 ALA H    H   8.629 0.02 1 
       197 .  22 ALA HA   H   4.732 0.02 1 
       198 .  22 ALA HB   H   1.158 0.02 1 
       199 .  22 ALA C    C 175.726 0.1  1 
       200 .  22 ALA CA   C  52.980 0.1  1 
       201 .  22 ALA CB   C  20.980 0.1  1 
       202 .  22 ALA N    N 125.694 0.1  1 
       203 .  23 GLN H    H   8.258 0.02 1 
       204 .  23 GLN HA   H   4.475 0.02 1 
       205 .  23 GLN HB2  H   1.900 0.02 2 
       206 .  23 GLN HB3  H   1.692 0.02 2 
       207 .  23 GLN HG2  H   2.196 0.02 1 
       208 .  23 GLN HG3  H   2.196 0.02 1 
       209 .  23 GLN HE21 H   6.610 0.02 2 
       210 .  23 GLN HE22 H   7.361 0.02 2 
       211 .  23 GLN C    C 173.668 0.1  1 
       212 .  23 GLN CA   C  53.399 0.1  1 
       213 .  23 GLN CB   C  32.110 0.1  1 
       214 .  23 GLN CG   C  32.243 0.1  1 
       215 .  23 GLN N    N 114.881 0.1  1 
       216 .  23 GLN NE2  N 111.557 0.1  1 
       217 .  24 LEU H    H   8.659 0.02 1 
       218 .  24 LEU HA   H   4.586 0.02 1 
       219 .  24 LEU HB2  H   1.097 0.02 2 
       220 .  24 LEU HB3  H   1.755 0.02 2 
       221 .  24 LEU HG   H   0.798 0.02 1 
       222 .  24 LEU HD1  H   0.418 0.02 1 
       223 .  24 LEU HD2  H   0.418 0.02 1 
       224 .  24 LEU C    C 175.878 0.1  1 
       225 .  24 LEU CA   C  54.061 0.1  1 
       226 .  24 LEU CB   C  42.224 0.1  1 
       227 .  24 LEU CG   C  25.821 0.1  1 
       228 .  24 LEU CD1  C  22.352 0.1  1 
       229 .  24 LEU CD2  C  22.352 0.1  1 
       230 .  24 LEU N    N 124.808 0.1  1 
       231 .  25 VAL H    H   9.060 0.02 1 
       232 .  25 VAL HA   H   4.074 0.02 1 
       233 .  25 VAL HB   H   1.847 0.02 1 
       234 .  25 VAL HG1  H   0.683 0.02 1 
       235 .  25 VAL HG2  H   0.683 0.02 1 
       236 .  25 VAL C    C 176.801 0.1  1 
       237 .  25 VAL CA   C  61.581 0.1  1 
       238 .  25 VAL CB   C  32.376 0.1  1 
       239 .  25 VAL CG1  C  20.148 0.1  1 
       240 .  25 VAL CG2  C  20.148 0.1  1 
       241 .  25 VAL N    N 130.883 0.1  1 
       242 .  26 GLY H    H   8.896 0.02 1 
       243 .  26 GLY HA2  H   3.502 0.02 2 
       244 .  26 GLY HA3  H   3.952 0.02 2 
       245 .  26 GLY C    C 173.667 0.1  1 
       246 .  26 GLY CA   C  47.109 0.1  1 
       247 .  26 GLY N    N 118.518 0.1  1 
       248 .  27 ASN H    H   8.551 0.02 1 
       249 .  27 ASN HA   H   4.709 0.02 1 
       250 .  27 ASN HB2  H   2.989 0.02 2 
       251 .  27 ASN HB3  H   3.037 0.02 2 
       252 .  27 ASN HD21 H   6.909 0.02 2 
       253 .  27 ASN HD22 H   7.541 0.02 2 
       254 .  27 ASN C    C 173.026 0.1  1 
       255 .  27 ASN CA   C  52.479 0.1  1 
       256 .  27 ASN CB   C  38.312 0.1  1 
       257 .  27 ASN N    N 124.099 0.1  1 
       258 .  27 ASN ND2  N 112.275 0.1  1 
       259 .  28 VAL H    H   7.786 0.02 1 
       260 .  28 VAL HA   H   4.084 0.02 1 
       261 .  28 VAL HB   H   1.973 0.02 1 
       262 .  28 VAL HG1  H   0.204 0.02 1 
       263 .  28 VAL HG2  H   0.730 0.02 1 
       264 .  28 VAL C    C 174.011 0.1  1 
       265 .  28 VAL CA   C  61.969 0.1  1 
       266 .  28 VAL CB   C  34.451 0.1  1 
       267 .  28 VAL CG1  C  20.428 0.1  1 
       268 .  28 VAL CG2  C  21.762 0.1  1 
       269 .  28 VAL N    N 119.472 0.1  1 
       270 .  29 GLY H    H   8.649 0.02 1 
       271 .  29 GLY HA2  H   2.927 0.02 2 
       272 .  29 GLY HA3  H   4.335 0.02 2 
       273 .  29 GLY C    C 170.708 0.1  1 
       274 .  29 GLY CA   C  44.745 0.1  1 
       275 .  29 GLY N    N 113.272 0.1  1 
       276 .  30 GLU H    H   9.175 0.02 1 
       277 .  30 GLU HA   H   4.742 0.02 1 
       278 .  30 GLU HB2  H   1.897 0.02 1 
       279 .  30 GLU HB3  H   1.897 0.02 1 
       280 .  30 GLU HG2  H   1.967 0.02 2 
       281 .  30 GLU HG3  H   2.096 0.02 2 
       282 .  30 GLU C    C 176.607 0.1  1 
       283 .  30 GLU CA   C  55.410 0.1  1 
       284 .  30 GLU CB   C  29.798 0.1  1 
       285 .  30 GLU CG   C  35.736 0.1  1 
       286 .  30 GLU N    N 128.760 0.1  1 
       287 .  31 LEU H    H   8.863 0.02 1 
       288 .  31 LEU HA   H   3.867 0.02 1 
       289 .  31 LEU HB2  H   1.646 0.02 2 
       290 .  31 LEU HB3  H   1.093 0.02 2 
       291 .  31 LEU HG   H   1.476 0.02 1 
       292 .  31 LEU HD1  H   0.486 0.02 1 
       293 .  31 LEU HD2  H   0.377 0.02 1 
       294 .  31 LEU C    C 176.584 0.1  1 
       295 .  31 LEU CA   C  55.467 0.1  1 
       296 .  31 LEU CB   C  40.946 0.1  1 
       297 .  31 LEU CG   C  26.455 0.1  1 
       298 .  31 LEU CD1  C  23.913 0.1  1 
       299 .  31 LEU CD2  C  25.544 0.1  1 
       300 .  31 LEU N    N 123.115 0.1  1 
       301 .  32 GLN H    H   7.015 0.02 1 
       302 .  32 GLN HA   H   3.348 0.02 1 
       303 .  32 GLN HB2  H   1.275 0.02 2 
       304 .  32 GLN HB3  H   1.816 0.02 2 
       305 .  32 GLN HG2  H   1.897 0.02 2 
       306 .  32 GLN HG3  H   2.306 0.02 2 
       307 .  32 GLN HE21 H   6.678 0.02 2 
       308 .  32 GLN HE22 H   7.316 0.02 2 
       309 .  32 GLN C    C 174.099 0.1  1 
       310 .  32 GLN CA   C  54.236 0.1  1 
       311 .  32 GLN CB   C  27.203 0.1  1 
       312 .  32 GLN CG   C  33.668 0.1  1 
       313 .  32 GLN N    N 123.285 0.1  1 
       314 .  32 GLN NE2  N 110.803 0.1  1 
       315 .  33 GLY H    H   7.703 0.02 1 
       316 .  33 GLY HA2  H   3.747 0.02 2 
       317 .  33 GLY HA3  H   4.283 0.02 2 
       318 .  33 GLY C    C 174.096 0.1  1 
       319 .  33 GLY CA   C  43.453 0.1  1 
       320 .  33 GLY N    N 107.035 0.1  1 
       321 .  34 ALA H    H   8.527 0.02 1 
       322 .  34 ALA HA   H   3.623 0.02 1 
       323 .  34 ALA HB   H   1.254 0.02 1 
       324 .  34 ALA C    C 177.188 0.1  1 
       325 .  34 ALA CA   C  54.233 0.1  1 
       326 .  34 ALA CB   C  18.403 0.1  1 
       327 .  34 ALA N    N 123.924 0.1  1 
       328 .  35 GLY H    H   8.721 0.02 1 
       329 .  35 GLY HA2  H   3.390 0.02 2 
       330 .  35 GLY HA3  H   4.505 0.02 2 
       331 .  35 GLY C    C 174.203 0.1  1 
       332 .  35 GLY CA   C  44.376 0.1  1 
       333 .  35 GLY N    N 111.765 0.1  1 
       334 .  36 SER H    H   7.842 0.02 1 
       335 .  36 SER HA   H   4.142 0.02 1 
       336 .  36 SER HB2  H   3.536 0.02 2 
       337 .  36 SER HB3  H   3.666 0.02 2 
       338 .  36 SER HG   H   6.128 0.02 1 
       339 .  36 SER C    C 172.512 0.1  1 
       340 .  36 SER CA   C  59.700 0.1  1 
       341 .  36 SER CB   C  64.479 0.1  1 
       342 .  36 SER N    N 114.954 0.1  1 
       343 .  37 ALA H    H   7.488 0.02 1 
       344 .  37 ALA HA   H   4.694 0.02 1 
       345 .  37 ALA HB   H   1.255 0.02 1 
       346 .  37 ALA C    C 174.849 0.1  1 
       347 .  37 ALA CA   C  53.064 0.1  1 
       348 .  37 ALA CB   C  22.271 0.1  1 
       349 .  37 ALA N    N 121.724 0.1  1 
       350 .  38 VAL H    H   8.148 0.02 1 
       351 .  38 VAL HA   H   4.001 0.02 1 
       352 .  38 VAL HB   H   1.589 0.02 1 
       353 .  38 VAL HG1  H  -0.089 0.02 1 
       354 .  38 VAL HG2  H   0.513 0.02 1 
       355 .  38 VAL C    C 173.067 0.1  1 
       356 .  38 VAL CA   C  61.974 0.1  1 
       357 .  38 VAL CB   C  33.685 0.1  1 
       358 .  38 VAL CG1  C  19.834 0.1  1 
       359 .  38 VAL CG2  C  19.834 0.1  1 
       360 .  38 VAL N    N 122.335 0.1  1 
       361 .  39 ILE H    H   7.959 0.02 1 
       362 .  39 ILE HA   H   4.683 0.02 1 
       363 .  39 ILE HB   H   1.641 0.02 1 
       364 .  39 ILE HG12 H   0.985 0.02 2 
       365 .  39 ILE HG13 H   1.228 0.02 2 
       366 .  39 ILE HG2  H   0.561 0.02 1 
       367 .  39 ILE HD1  H   0.447 0.02 1 
       368 .  39 ILE C    C 175.127 0.1  1 
       369 .  39 ILE CA   C  57.521 0.1  1 
       370 .  39 ILE CB   C  40.414 0.1  1 
       371 .  39 ILE CG1  C  25.676 0.1  1 
       372 .  39 ILE CG2  C  16.516 0.1  1 
       373 .  39 ILE CD1  C   9.922 0.1  1 
       374 .  39 ILE N    N 124.396 0.1  1 
       375 .  40 TRP H    H   9.916 0.02 1 
       376 .  40 TRP HA   H   4.625 0.02 1 
       377 .  40 TRP HB2  H   2.781 0.02 2 
       378 .  40 TRP HB3  H   3.076 0.02 2 
       379 .  40 TRP HD1  H   6.723 0.02 1 
       380 .  40 TRP HE1  H   9.420 0.02 1 
       381 .  40 TRP HE3  H   7.840 0.02 1 
       382 .  40 TRP HZ2  H   6.600 0.02 1 
       383 .  40 TRP HZ3  H   6.598 0.02 1 
       384 .  40 TRP HH2  H   6.651 0.02 1 
       385 .  40 TRP C    C 174.484 0.1  1 
       386 .  40 TRP CA   C  59.273 0.1  1 
       387 .  40 TRP CB   C  31.073 0.1  1 
       388 .  40 TRP CD1  C 125.352 0.1  1 
       389 .  40 TRP CE3  C 121.670 0.1  1 
       390 .  40 TRP CZ2  C 111.870 0.1  1 
       391 .  40 TRP CZ3  C 120.306 0.1  1 
       392 .  40 TRP CH2  C 123.363 0.1  1 
       393 .  40 TRP N    N 128.085 0.1  1 
       394 .  40 TRP NE1  N 130.259 0.1  1 
       395 .  41 ASN H    H   8.408 0.02 1 
       396 .  41 ASN HA   H   5.124 0.02 1 
       397 .  41 ASN HB2  H   2.547 0.02 2 
       398 .  41 ASN HB3  H   2.623 0.02 2 
       399 .  41 ASN HD21 H   6.585 0.02 2 
       400 .  41 ASN HD22 H   7.399 0.02 2 
       401 .  41 ASN C    C 174.764 0.1  1 
       402 .  41 ASN CA   C  52.657 0.1  1 
       403 .  41 ASN CB   C  39.073 0.1  1 
       404 .  41 ASN N    N 123.617 0.1  1 
       405 .  41 ASN ND2  N 113.843 0.1  1 
       406 .  42 VAL H    H   8.681 0.02 1 
       407 .  42 VAL HA   H   4.324 0.02 1 
       408 .  42 VAL HB   H   1.745 0.02 1 
       409 .  42 VAL HG1  H   0.547 0.02 1 
       410 .  42 VAL HG2  H   0.218 0.02 1 
       411 .  42 VAL C    C 173.923 0.1  1 
       412 .  42 VAL CA   C  59.100 0.1  1 
       413 .  42 VAL CB   C  34.708 0.1  1 
       414 .  42 VAL CG1  C  18.801 0.1  1 
       415 .  42 VAL CG2  C  21.205 0.1  1 
       416 .  42 VAL N    N 118.154 0.1  1 
       417 .  43 ASP H    H   8.289 0.02 1 
       418 .  43 ASP HA   H   4.838 0.02 1 
       419 .  43 ASP HB2  H   2.266 0.02 1 
       420 .  43 ASP HB3  H   2.266 0.02 1 
       421 .  43 ASP C    C 175.901 0.1  1 
       422 .  43 ASP CA   C  53.123 0.1  1 
       423 .  43 ASP CB   C  41.476 0.1  1 
       424 .  43 ASP N    N 122.805 0.1  1 
       425 .  44 VAL H    H   8.544 0.02 1 
       426 .  44 VAL HA   H   4.044 0.02 1 
       427 .  44 VAL HB   H   2.212 0.02 1 
       428 .  44 VAL HG1  H   0.523 0.02 1 
       429 .  44 VAL HG2  H   0.184 0.02 1 
       430 .  44 VAL C    C 176.842 0.1  1 
       431 .  44 VAL CA   C  57.986 0.1  1 
       432 .  44 VAL CB   C  30.574 0.1  1 
       433 .  44 VAL CG1  C  19.976 0.1  1 
       434 .  44 VAL CG2  C  21.180 0.1  1 
       435 .  44 VAL N    N 120.220 0.1  1 
       436 .  45 PRO HA   H   4.306 0.02 1 
       437 .  45 PRO HB2  H   1.965 0.02 2 
       438 .  45 PRO HB3  H   2.170 0.02 2 
       439 .  45 PRO HG2  H   1.963 0.02 2 
       440 .  45 PRO HG3  H   2.144 0.02 2 
       441 .  45 PRO HD2  H   3.183 0.02 2 
       442 .  45 PRO HD3  H   3.399 0.02 2 
       443 .  45 PRO C    C 176.204 0.1  1 
       444 .  45 PRO CA   C  65.016 0.1  1 
       445 .  45 PRO CB   C  32.108 0.1  1 
       446 .  45 PRO CG   C  26.906 0.1  1 
       447 .  45 PRO CD   C  50.061 0.1  1 
       448 .  46 VAL H    H   6.476 0.02 1 
       449 .  46 VAL HA   H   4.597 0.02 1 
       450 .  46 VAL HB   H   2.036 0.02 1 
       451 .  46 VAL HG1  H   0.841 0.02 1 
       452 .  46 VAL HG2  H   0.857 0.02 1 
       453 .  46 VAL C    C 174.719 0.1  1 
       454 .  46 VAL CA   C  58.922 0.1  1 
       455 .  46 VAL CB   C  36.502 0.1  1 
       456 .  46 VAL CG1  C  19.887 0.1  1 
       457 .  46 VAL CG2  C  20.945 0.1  1 
       458 .  46 VAL N    N 110.690 0.1  1 
       459 .  47 THR H    H   9.046 0.02 1 
       460 .  47 THR HA   H   5.171 0.02 1 
       461 .  47 THR HB   H   4.095 0.02 1 
       462 .  47 THR HG2  H   1.127 0.02 1 
       463 .  47 THR C    C 174.578 0.1  1 
       464 .  47 THR CA   C  61.871 0.1  1 
       465 .  47 THR CB   C  68.623 0.1  1 
       466 .  47 THR CG2  C  21.369 0.1  1 
       467 .  47 THR N    N 125.918 0.1  1 
       468 .  48 GLY H    H   8.655 0.02 1 
       469 .  48 GLY HA2  H   3.769 0.02 2 
       470 .  48 GLY HA3  H   4.075 0.02 2 
       471 .  48 GLY C    C 180.787 0.1  1 
       472 .  48 GLY CA   C  45.212 0.1  1 
       473 .  48 GLY N    N 115.128 0.1  1 
       474 .  49 GLU H    H   8.515 0.02 1 
       475 .  49 GLU HA   H   4.509 0.02 1 
       476 .  49 GLU HB2  H   1.751 0.02 2 
       477 .  49 GLU HB3  H   1.695 0.02 2 
       478 .  49 GLU HG2  H   1.947 0.02 1 
       479 .  49 GLU HG3  H   1.947 0.02 1 
       480 .  49 GLU C    C 174.420 0.1  1 
       481 .  49 GLU CA   C  55.908 0.1  1 
       482 .  49 GLU CB   C  30.510 0.1  1 
       483 .  49 GLU CG   C  36.591 0.1  1 
       484 .  49 GLU N    N 121.418 0.1  1 
       485 .  50 TYR H    H   8.833 0.02 1 
       486 .  50 TYR HA   H   5.482 0.02 1 
       487 .  50 TYR HB2  H   2.438 0.02 2 
       488 .  50 TYR HB3  H   2.609 0.02 2 
       489 .  50 TYR HE1  H   6.699 0.02 1 
       490 .  50 TYR HH   H   9.143 0.02 1 
       491 .  50 TYR C    C 174.925 0.1  1 
       492 .  50 TYR CA   C  55.733 0.1  1 
       493 .  50 TYR CB   C  41.669 0.1  1 
       494 .  50 TYR CE1  C 117.960 0.1  1 
       495 .  50 TYR CE2  C 117.960 0.1  1 
       496 .  50 TYR N    N 122.644 0.1  1 
       497 .  51 ARG H    H   9.303 0.02 1 
       498 .  51 ARG HA   H   4.733 0.02 1 
       499 .  51 ARG HB2  H   1.501 0.02 2 
       500 .  51 ARG HB3  H   1.894 0.02 2 
       501 .  51 ARG HG2  H   1.271 0.02 2 
       502 .  51 ARG HG3  H   1.390 0.02 2 
       503 .  51 ARG HD2  H   3.033 0.02 2 
       504 .  51 ARG HD3  H   3.154 0.02 2 
       505 .  51 ARG C    C 174.765 0.1  1 
       506 .  51 ARG CA   C  55.760 0.1  1 
       507 .  51 ARG CB   C  32.358 0.1  1 
       508 .  51 ARG CG   C  27.693 0.1  1 
       509 .  51 ARG CD   C  43.057 0.1  1 
       510 .  51 ARG N    N 121.315 0.1  1 
       511 .  52 ILE H    H   9.410 0.02 1 
       512 .  52 ILE HA   H   4.147 0.02 1 
       513 .  52 ILE HB   H   1.730 0.02 1 
       514 .  52 ILE HG12 H   1.255 0.02 2 
       515 .  52 ILE HG13 H   0.642 0.02 2 
       516 .  52 ILE HG2  H   0.413 0.02 1 
       517 .  52 ILE HD1  H   0.792 0.02 1 
       518 .  52 ILE C    C 173.717 0.1  1 
       519 .  52 ILE CA   C  61.151 0.1  1 
       520 .  52 ILE CB   C  39.621 0.1  1 
       521 .  52 ILE CG1  C  27.713 0.1  1 
       522 .  52 ILE CG2  C  18.798 0.1  1 
       523 .  52 ILE CD1  C  15.846 0.1  1 
       524 .  52 ILE N    N 128.901 0.1  1 
       525 .  53 ASN H    H   8.508 0.02 1 
       526 .  53 ASN HA   H   5.615 0.02 1 
       527 .  53 ASN HB2  H   2.079 0.02 2 
       528 .  53 ASN HB3  H   2.966 0.02 2 
       529 .  53 ASN HD21 H   7.030 0.02 2 
       530 .  53 ASN HD22 H   6.500 0.02 2 
       531 .  53 ASN C    C 174.248 0.1  1 
       532 .  53 ASN CA   C  51.075 0.1  1 
       533 .  53 ASN CB   C  41.688 0.1  1 
       534 .  53 ASN N    N 122.402 0.1  1 
       535 .  53 ASN ND2  N 112.175 0.1  1 
       536 .  54 LEU H    H   9.983 0.02 1 
       537 .  54 LEU HA   H   5.240 0.02 1 
       538 .  54 LEU HB2  H   1.316 0.02 2 
       539 .  54 LEU HB3  H   2.099 0.02 2 
       540 .  54 LEU HG   H   1.810 0.02 1 
       541 .  54 LEU HD1  H   0.951 0.02 1 
       542 .  54 LEU HD2  H   1.052 0.02 1 
       543 .  54 LEU C    C 174.957 0.1  1 
       544 .  54 LEU CA   C  54.532 0.1  1 
       545 .  54 LEU CB   C  45.196 0.1  1 
       546 .  54 LEU CG   C  28.268 0.1  1 
       547 .  54 LEU CD1  C  25.269 0.1  1 
       548 .  54 LEU CD2  C  26.140 0.1  1 
       549 .  54 LEU N    N 130.669 0.1  1 
       550 .  55 THR H    H   9.416 0.02 1 
       551 .  55 THR HA   H   5.356 0.02 1 
       552 .  55 THR HB   H   4.106 0.02 1 
       553 .  55 THR HG2  H   0.793 0.02 1 
       554 .  55 THR C    C 172.745 0.1  1 
       555 .  55 THR CA   C  63.085 0.1  1 
       556 .  55 THR CB   C  68.356 0.1  1 
       557 .  55 THR CG2  C  21.883 0.1  1 
       558 .  55 THR N    N 127.224 0.1  1 
       559 .  56 TRP H    H   9.430 0.02 1 
       560 .  56 TRP HA   H   5.519 0.02 1 
       561 .  56 TRP HB2  H   2.843 0.02 2 
       562 .  56 TRP HB3  H   3.582 0.02 2 
       563 .  56 TRP HD1  H   7.355 0.02 1 
       564 .  56 TRP HE1  H   9.917 0.02 1 
       565 .  56 TRP HE3  H   6.956 0.02 1 
       566 .  56 TRP HZ2  H   7.856 0.02 1 
       567 .  56 TRP HZ3  H   7.651 0.02 1 
       568 .  56 TRP HH2  H   7.517 0.02 1 
       569 .  56 TRP C    C 172.466 0.1  1 
       570 .  56 TRP CA   C  54.648 0.1  1 
       571 .  56 TRP CB   C  33.284 0.1  1 
       572 .  56 TRP CD1  C 127.487 0.1  1 
       573 .  56 TRP CE3  C 119.061 0.1  1 
       574 .  56 TRP CZ2  C 115.599 0.1  1 
       575 .  56 TRP CZ3  C 123.832 0.1  1 
       576 .  56 TRP CH2  C 125.660 0.1  1 
       577 .  56 TRP N    N 129.220 0.1  1 
       578 .  56 TRP NE1  N 128.091 0.1  1 
       579 .  57 SER H    H   9.423 0.02 1 
       580 .  57 SER HA   H   4.222 0.02 1 
       581 .  57 SER HB2  H   3.436 0.02 2 
       582 .  57 SER HB3  H   3.777 0.02 2 
       583 .  57 SER C    C 173.581 0.1  1 
       584 .  57 SER CA   C  60.391 0.1  1 
       585 .  57 SER CB   C  63.825 0.1  1 
       586 .  57 SER N    N 110.335 0.1  1 
       587 .  58 SER H    H   9.058 0.02 1 
       588 .  58 SER HA   H   5.111 0.02 1 
       589 .  58 SER HB2  H   3.802 0.02 2 
       590 .  58 SER HB3  H   4.968 0.02 2 
       591 .  58 SER CA   C  55.291 0.1  1 
       592 .  58 SER CB   C  62.701 0.1  1 
       593 .  58 SER N    N 112.897 0.1  1 
       594 .  59 PRO HA   H   3.928 0.02 1 
       595 .  59 PRO HB2  H   1.446 0.02 2 
       596 .  59 PRO HB3  H   2.068 0.02 2 
       597 .  59 PRO HG2  H   0.973 0.02 2 
       598 .  59 PRO HG3  H   1.671 0.02 2 
       599 .  59 PRO HD2  H   3.354 0.02 2 
       600 .  59 PRO HD3  H   3.477 0.02 2 
       601 .  59 PRO C    C 176.843 0.1  1 
       602 .  59 PRO CA   C  64.081 0.1  1 
       603 .  59 PRO CB   C  32.555 0.1  1 
       604 .  59 PRO CG   C  25.790 0.1  1 
       605 .  59 PRO CD   C  49.513 0.1  1 
       606 .  60 TYR H    H   8.702 0.02 1 
       607 .  60 TYR HA   H   4.535 0.02 1 
       608 .  60 TYR HB2  H   2.828 0.02 2 
       609 .  60 TYR HB3  H   3.256 0.02 2 
       610 .  60 TYR HD1  H   7.188 0.02 1 
       611 .  60 TYR HD2  H   7.188 0.02 1 
       612 .  60 TYR HE1  H   6.829 0.02 1 
       613 .  60 TYR HE2  H   6.829 0.02 1 
       614 .  60 TYR C    C 176.435 0.1  1 
       615 .  60 TYR CA   C  59.454 0.1  1 
       616 .  60 TYR CB   C  38.578 0.1  1 
       617 .  60 TYR CD1  C 132.870 0.1  1 
       618 .  60 TYR CE1  C 118.146 0.1  1 
       619 .  60 TYR N    N 119.080 0.1  1 
       620 .  61 SER H    H   7.648 0.02 1 
       621 .  61 SER HA   H   4.613 0.02 1 
       622 .  61 SER HB2  H   4.182 0.02 2 
       623 .  61 SER HB3  H   4.283 0.02 2 
       624 .  61 SER C    C 173.322 0.1  1 
       625 .  61 SER CA   C  58.165 0.1  1 
       626 .  61 SER CB   C  63.962 0.1  1 
       627 .  61 SER N    N 108.702 0.1  1 
       628 .  62 SER H    H   8.764 0.02 1 
       629 .  62 SER HA   H   4.956 0.02 1 
       630 .  62 SER HB2  H   3.906 0.02 2 
       631 .  62 SER HB3  H   3.987 0.02 2 
       632 .  62 SER C    C 175.108 0.1  1 
       633 .  62 SER CA   C  58.632 0.1  1 
       634 .  62 SER CB   C  62.924 0.1  1 
       635 .  62 SER N    N 116.619 0.1  1 
       636 .  63 LYS H    H   8.974 0.02 1 
       637 .  63 LYS HA   H   3.660 0.02 1 
       638 .  63 LYS HB2  H   1.805 0.02 1 
       639 .  63 LYS HB3  H   1.805 0.02 1 
       640 .  63 LYS HG2  H   1.340 0.02 2 
       641 .  63 LYS HG3  H   1.389 0.02 2 
       642 .  63 LYS HD2  H   1.621 0.02 1 
       643 .  63 LYS HD3  H   1.621 0.02 1 
       644 .  63 LYS HE2  H   2.927 0.02 1 
       645 .  63 LYS HE3  H   2.927 0.02 1 
       646 .  63 LYS C    C 174.868 0.1  1 
       647 .  63 LYS CA   C  54.129 0.1  1 
       648 .  63 LYS CB   C  38.083 0.1  1 
       649 .  63 LYS CG   C  23.696 0.1  1 
       650 .  63 LYS CD   C  29.047 0.1  1 
       651 .  63 LYS CE   C  41.705 0.1  1 
       652 .  63 LYS N    N 122.509 0.1  1 
       653 .  64 VAL H    H   5.221 0.02 1 
       654 .  64 VAL HA   H   4.624 0.02 1 
       655 .  64 VAL HB   H   0.633 0.02 1 
       656 .  64 VAL HG1  H   0.011 0.02 1 
       657 .  64 VAL HG2  H   0.509 0.02 1 
       658 .  64 VAL C    C 175.901 0.1  1 
       659 .  64 VAL CA   C  61.268 0.1  1 
       660 .  64 VAL CB   C  31.610 0.1  1 
       661 .  64 VAL CG1  C  20.428 0.1  1 
       662 .  64 VAL CG2  C  19.881 0.1  1 
       663 .  64 VAL N    N 121.690 0.1  1 
       664 .  65 ASN H    H   8.793 0.02 1 
       665 .  65 ASN HA   H   5.090 0.02 1 
       666 .  65 ASN HB2  H   2.206 0.02 2 
       667 .  65 ASN HB3  H   2.432 0.02 2 
       668 .  65 ASN HD21 H   5.790 0.02 2 
       669 .  65 ASN HD22 H   6.022 0.02 2 
       670 .  65 ASN C    C 171.865 0.1  1 
       671 .  65 ASN CA   C  53.184 0.1  1 
       672 .  65 ASN CB   C  44.522 0.1  1 
       673 .  65 ASN N    N 124.750 0.1  1 
       674 .  65 ASN ND2  N 109.150 0.1  1 
       675 .  66 THR H    H   8.130 0.02 1 
       676 .  66 THR HA   H   4.562 0.02 1 
       677 .  66 THR HB   H   4.098 0.02 1 
       678 .  66 THR HG2  H   0.858 0.02 1 
       679 .  66 THR C    C 173.154 0.1  1 
       680 .  66 THR CA   C  63.728 0.1  1 
       681 .  66 THR CB   C  68.611 0.1  1 
       682 .  66 THR CG2  C  20.975 0.1  1 
       683 .  66 THR N    N 116.438 0.1  1 
       684 .  67 LEU H    H   9.023 0.02 1 
       685 .  67 LEU HA   H   4.440 0.02 1 
       686 .  67 LEU HB2  H   1.535 0.02 1 
       687 .  67 LEU HB3  H   1.535 0.02 1 
       688 .  67 LEU HG   H   1.085 0.02 1 
       689 .  67 LEU HD1  H  -0.136 0.02 1 
       690 .  67 LEU HD2  H   0.179 0.02 1 
       691 .  67 LEU C    C 174.781 0.1  1 
       692 .  67 LEU CA   C  54.588 0.1  1 
       693 .  67 LEU CB   C  44.548 0.1  1 
       694 .  67 LEU CG   C  26.637 0.1  1 
       695 .  67 LEU CD1  C  24.461 0.1  1 
       696 .  67 LEU CD2  C  23.377 0.1  1 
       697 .  67 LEU N    N 131.597 0.1  1 
       698 .  68 VAL H    H   8.937 0.02 1 
       699 .  68 VAL HA   H   4.440 0.02 1 
       700 .  68 VAL HB   H   1.538 0.02 1 
       701 .  68 VAL HG1  H   0.424 0.02 1 
       702 .  68 VAL HG2  H   0.549 0.02 1 
       703 .  68 VAL C    C 175.514 0.1  1 
       704 .  68 VAL CA   C  61.504 0.1  1 
       705 .  68 VAL CB   C  31.891 0.1  1 
       706 .  68 VAL CG1  C  19.577 0.1  1 
       707 .  68 VAL CG2  C  19.577 0.1  1 
       708 .  68 VAL N    N 126.183 0.1  1 
       709 .  69 MET H    H   8.576 0.02 1 
       710 .  69 MET HA   H   5.252 0.02 1 
       711 .  69 MET HB2  H   1.891 0.02 2 
       712 .  69 MET HB3  H   1.683 0.02 2 
       713 .  69 MET HG2  H   2.201 0.02 2 
       714 .  69 MET HG3  H   2.807 0.02 2 
       715 .  69 MET HE   H   2.095 0.02 1 
       716 .  69 MET C    C 175.581 0.1  1 
       717 .  69 MET CA   C  52.013 0.1  1 
       718 .  69 MET CB   C  33.903 0.1  1 
       719 .  69 MET CG   C  31.878 0.1  1 
       720 .  69 MET CE   C  18.003 0.1  1 
       721 .  69 MET N    N 125.551 0.1  1 
       722 .  70 ASP H    H   7.487 0.02 1 
       723 .  70 ASP HA   H   3.867 0.02 1 
       724 .  70 ASP HB2  H   3.015 0.02 2 
       725 .  70 ASP HB3  H   1.852 0.02 2 
       726 .  70 ASP C    C 176.631 0.1  1 
       727 .  70 ASP CA   C  54.528 0.1  1 
       728 .  70 ASP CB   C  39.143 0.1  1 
       729 .  70 ASP N    N 129.326 0.1  1 
       730 .  71 GLY H    H   7.250 0.02 1 
       731 .  71 GLY HA2  H   3.220 0.02 2 
       732 .  71 GLY HA3  H   4.003 0.02 2 
       733 .  71 GLY C    C 173.605 0.1  1 
       734 .  71 GLY CA   C  45.801 0.1  1 
       735 .  71 GLY N    N 103.538 0.1  1 
       736 .  72 THR H    H   7.288 0.02 1 
       737 .  72 THR HA   H   4.197 0.02 1 
       738 .  72 THR HB   H   4.062 0.02 1 
       739 .  72 THR HG2  H   1.121 0.02 1 
       740 .  72 THR C    C 172.274 0.1  1 
       741 .  72 THR CA   C  62.321 0.1  1 
       742 .  72 THR CB   C  69.383 0.1  1 
       743 .  72 THR CG2  C  21.343 0.1  1 
       744 .  72 THR N    N 118.317 0.1  1 
       745 .  73 ALA H    H   8.523 0.02 1 
       746 .  73 ALA HA   H   4.871 0.02 1 
       747 .  73 ALA HB   H   1.095 0.02 1 
       748 .  73 ALA C    C 176.348 0.1  1 
       749 .  73 ALA CA   C  50.727 0.1  1 
       750 .  73 ALA CB   C  20.211 0.1  1 
       751 .  73 ALA N    N 130.662 0.1  1 
       752 .  74 LEU H    H   9.040 0.02 1 
       753 .  74 LEU HA   H   4.581 0.02 1 
       754 .  74 LEU HB2  H   1.534 0.02 1 
       755 .  74 LEU HB3  H   1.534 0.02 1 
       756 .  74 LEU HG   H   1.532 0.02 1 
       757 .  74 LEU HD1  H   0.816 0.02 1 
       758 .  74 LEU HD2  H   0.802 0.02 1 
       759 .  74 LEU C    C 175.232 0.1  1 
       760 .  74 LEU CA   C  53.827 0.1  1 
       761 .  74 LEU CB   C  44.795 0.1  1 
       762 .  74 LEU CG   C  26.075 0.1  1 
       763 .  74 LEU CD1  C  24.750 0.1  1 
       764 .  74 LEU CD2  C  26.360 0.1  1 
       765 .  74 LEU N    N 125.233 0.1  1 
       766 .  75 SER H    H   8.528 0.02 1 
       767 .  75 SER HA   H   4.361 0.02 1 
       768 .  75 SER HB2  H   3.574 0.02 1 
       769 .  75 SER HB3  H   3.574 0.02 1 
       770 .  75 SER C    C 173.716 0.1  1 
       771 .  75 SER CA   C  59.158 0.1  1 
       772 .  75 SER CB   C  62.403 0.1  1 
       773 .  75 SER N    N 119.548 0.1  1 
       774 .  76 TYR H    H   8.789 0.02 1 
       775 .  76 TYR HA   H   4.244 0.02 1 
       776 .  76 TYR HB2  H   2.207 0.02 1 
       777 .  76 TYR HB3  H   2.207 0.02 1 
       778 .  76 TYR HD1  H   5.287 0.02 1 
       779 .  76 TYR HE1  H   6.261 0.02 1 
       780 .  76 TYR C    C 171.095 0.1  1 
       781 .  76 TYR CA   C  57.867 0.1  1 
       782 .  76 TYR CB   C  42.754 0.1  1 
       783 .  76 TYR CD1  C 132.800 0.1  1 
       784 .  76 TYR CD2  C 132.800 0.1  1 
       785 .  76 TYR CE1  C 117.300 0.1  1 
       786 .  76 TYR CE2  C 117.300 0.1  1 
       787 .  76 TYR N    N 131.005 0.1  1 
       788 .  77 ALA H    H   6.954 0.02 1 
       789 .  77 ALA HA   H   4.108 0.02 1 
       790 .  77 ALA HB   H   0.780 0.02 1 
       791 .  77 ALA C    C 174.482 0.1  1 
       792 .  77 ALA CA   C  50.079 0.1  1 
       793 .  77 ALA CB   C  17.376 0.1  1 
       794 .  77 ALA N    N 128.025 0.1  1 
       795 .  78 PHE H    H   8.580 0.02 1 
       796 .  78 PHE HA   H   3.708 0.02 1 
       797 .  78 PHE HB2  H   2.317 0.02 2 
       798 .  78 PHE HB3  H   2.877 0.02 2 
       799 .  78 PHE HZ   H   6.419 0.02 1 
       800 .  78 PHE C    C 174.418 0.1  1 
       801 .  78 PHE CA   C  57.753 0.1  1 
       802 .  78 PHE CB   C  37.296 0.1  1 
       803 .  78 PHE CZ   C 128.167 0.1  1 
       804 .  78 PHE N    N 126.966 0.1  1 
       805 .  79 ALA H    H   8.021 0.02 1 
       806 .  79 ALA HA   H   4.099 0.02 1 
       807 .  79 ALA HB   H   1.536 0.02 1 
       808 .  79 ALA C    C 174.827 0.1  1 
       809 .  79 ALA CA   C  51.894 0.1  1 
       810 .  79 ALA CB   C  19.431 0.1  1 
       811 .  79 ALA N    N 128.462 0.1  1 
       812 .  80 GLU H    H   7.770 0.02 1 
       813 .  80 GLU HA   H   4.160 0.02 1 
       814 .  80 GLU HB2  H   1.918 0.02 2 
       815 .  80 GLU HB3  H   1.859 0.02 2 
       816 .  80 GLU HG2  H   1.992 0.02 2 
       817 .  80 GLU HG3  H   1.933 0.02 2 
       818 .  80 GLU C    C 177.209 0.1  1 
       819 .  80 GLU CA   C  57.404 0.1  1 
       820 .  80 GLU CB   C  30.042 0.1  1 
       821 .  80 GLU CG   C  35.385 0.1  1 
       822 .  80 GLU N    N 117.231 0.1  1 
       823 .  81 ALA H    H   8.542 0.02 1 
       824 .  81 ALA HA   H   4.490 0.02 1 
       825 .  81 ALA HB   H   1.194 0.02 1 
       826 .  81 ALA C    C 176.649 0.1  1 
       827 .  81 ALA CA   C  52.772 0.1  1 
       828 .  81 ALA CB   C  21.229 0.1  1 
       829 .  81 ALA N    N 130.256 0.1  1 
       830 .  82 THR H    H   8.688 0.02 1 
       831 .  82 THR HA   H   4.036 0.02 1 
       832 .  82 THR HB   H   4.158 0.02 1 
       833 .  82 THR HG2  H   1.183 0.02 1 
       834 .  82 THR C    C 174.787 0.1  1 
       835 .  82 THR CA   C  63.145 0.1  1 
       836 .  82 THR CB   C  68.084 0.1  1 
       837 .  82 THR CG2  C  21.769 0.1  1 
       838 .  82 THR N    N 117.604 0.1  1 
       839 .  83 VAL H    H   7.415 0.02 1 
       840 .  83 VAL HA   H   4.247 0.02 1 
       841 .  83 VAL HB   H   1.849 0.02 1 
       842 .  83 VAL HG1  H   0.762 0.02 1 
       843 .  83 VAL HG2  H   0.784 0.02 1 
       844 .  83 VAL C    C 173.321 0.1  1 
       845 .  83 VAL CA   C  59.044 0.1  1 
       846 .  83 VAL CB   C  32.374 0.1  1 
       847 .  83 VAL CG1  C  20.055 0.1  1 
       848 .  83 VAL CG2  C  20.555 0.1  1 
       849 .  83 VAL N    N 122.980 0.1  1 
       850 .  84 PRO HA   H   3.830 0.02 1 
       851 .  84 PRO HB2  H   1.071 0.02 2 
       852 .  84 PRO HB3  H   1.177 0.02 2 
       853 .  84 PRO HG2  H   1.094 0.02 2 
       854 .  84 PRO HG3  H   1.573 0.02 2 
       855 .  84 PRO HD2  H   3.269 0.02 2 
       856 .  84 PRO HD3  H   3.709 0.02 2 
       857 .  84 PRO C    C 175.259 0.1  1 
       858 .  84 PRO CA   C  63.026 0.1  1 
       859 .  84 PRO CB   C  31.735 0.1  1 
       860 .  84 PRO CG   C  27.160 0.1  1 
       861 .  84 PRO CD   C  50.811 0.1  1 
       862 .  85 VAL H    H   8.300 0.02 1 
       863 .  85 VAL HA   H   3.767 0.02 1 
       864 .  85 VAL HB   H   0.320 0.02 1 
       865 .  85 VAL HG1  H   0.247 0.02 1 
       866 .  85 VAL HG2  H   0.779 0.02 1 
       867 .  85 VAL C    C 173.476 0.1  1 
       868 .  85 VAL CA   C  60.273 0.1  1 
       869 .  85 VAL CB   C  34.709 0.1  1 
       870 .  85 VAL CG1  C  20.684 0.1  1 
       871 .  85 VAL CG2  C  21.506 0.1  1 
       872 .  85 VAL N    N 125.058 0.1  1 
       873 .  86 THR H    H   8.170 0.02 1 
       874 .  86 THR HA   H   4.871 0.02 1 
       875 .  86 THR HB   H   3.693 0.02 1 
       876 .  86 THR HG2  H   0.949 0.02 1 
       877 .  86 THR C    C 174.400 0.1  1 
       878 .  86 THR CA   C  61.737 0.1  1 
       879 .  86 THR CB   C  69.661 0.1  1 
       880 .  86 THR CG2  C  22.460 0.1  1 
       881 .  86 THR N    N 118.558 0.1  1 
       882 .  87 TYR H    H   9.656 0.02 1 
       883 .  87 TYR HA   H   4.660 0.02 1 
       884 .  87 TYR HB2  H   3.241 0.02 2 
       885 .  87 TYR HB3  H   3.305 0.02 2 
       886 .  87 TYR HD1  H   6.852 0.02 1 
       887 .  87 TYR HD2  H   6.852 0.02 1 
       888 .  87 TYR HE1  H   6.633 0.02 1 
       889 .  87 TYR HE2  H   6.633 0.02 1 
       890 .  87 TYR C    C 174.000 0.1  1 
       891 .  87 TYR CA   C  58.340 0.1  1 
       892 .  87 TYR CB   C  39.112 0.1  1 
       893 .  87 TYR CD1  C 132.290 0.1  1 
       894 .  87 TYR CE1  C 117.780 0.1  1 
       895 .  87 TYR N    N 131.892 0.1  1 
       896 .  88 VAL H    H   7.604 0.02 1 
       897 .  88 VAL HA   H   5.207 0.02 1 
       898 .  88 VAL HB   H   1.572 0.02 1 
       899 .  88 VAL HG1  H   0.645 0.02 1 
       900 .  88 VAL HG2  H   0.753 0.02 1 
       901 .  88 VAL C    C 175.233 0.1  1 
       902 .  88 VAL CA   C  59.978 0.1  1 
       903 .  88 VAL CB   C  34.460 0.1  1 
       904 .  88 VAL CG1  C  20.679 0.1  1 
       905 .  88 VAL CG2  C  20.679 0.1  1 
       906 .  88 VAL N    N 127.742 0.1  1 
       907 .  89 GLN H    H   8.565 0.02 1 
       908 .  89 GLN HA   H   4.464 0.02 1 
       909 .  89 GLN HB2  H   1.895 0.02 2 
       910 .  89 GLN HB3  H   2.045 0.02 2 
       911 .  89 GLN HG2  H   2.216 0.02 2 
       912 .  89 GLN HG3  H   2.308 0.02 2 
       913 .  89 GLN HE21 H   6.824 0.02 2 
       914 .  89 GLN HE22 H   7.325 0.02 2 
       915 .  89 GLN C    C 173.691 0.1  1 
       916 .  89 GLN CA   C  54.819 0.1  1 
       917 .  89 GLN CB   C  33.917 0.1  1 
       918 .  89 GLN CG   C  33.759 0.1  1 
       919 .  89 GLN N    N 124.936 0.1  1 
       920 .  89 GLN NE2  N 109.908 0.1  1 
       921 .  90 THR H    H   8.596 0.02 1 
       922 .  90 THR HA   H   5.528 0.02 1 
       923 .  90 THR HB   H   3.916 0.02 1 
       924 .  90 THR HG2  H   0.975 0.02 1 
       925 .  90 THR C    C 174.438 0.1  1 
       926 .  90 THR CA   C  60.917 0.1  1 
       927 .  90 THR CB   C  69.654 0.1  1 
       928 .  90 THR CG2  C  21.214 0.1  1 
       929 .  90 THR N    N 119.631 0.1  1 
       930 .  91 LYS H    H   9.191 0.02 1 
       931 .  91 LYS HA   H   4.634 0.02 1 
       932 .  91 LYS HB2  H   1.668 0.02 1 
       933 .  91 LYS HB3  H   1.668 0.02 1 
       934 .  91 LYS HG2  H   1.305 0.02 2 
       935 .  91 LYS HG3  H   1.524 0.02 2 
       936 .  91 LYS HD2  H   1.486 0.02 2 
       937 .  91 LYS HD3  H   1.646 0.02 2 
       938 .  91 LYS HE2  H   3.122 0.02 2 
       939 .  91 LYS HE3  H   2.987 0.02 2 
       940 .  91 LYS C    C 174.697 0.1  1 
       941 .  91 LYS CA   C  55.643 0.1  1 
       942 .  91 LYS CB   C  36.760 0.1  1 
       943 .  91 LYS CG   C  23.935 0.1  1 
       944 .  91 LYS CD   C  28.789 0.1  1 
       945 .  91 LYS CE   C  41.507 0.1  1 
       946 .  91 LYS N    N 124.712 0.1  1 
       947 .  92 THR H    H   8.549 0.02 1 
       948 .  92 THR HA   H   4.879 0.02 1 
       949 .  92 THR HB   H   3.927 0.02 1 
       950 .  92 THR HG2  H   0.979 0.02 1 
       951 .  92 THR C    C 174.309 0.1  1 
       952 .  92 THR CA   C  63.028 0.1  1 
       953 .  92 THR CB   C  68.350 0.1  1 
       954 .  92 THR CG2  C  21.068 0.1  1 
       955 .  92 THR N    N 120.848 0.1  1 
       956 .  93 LEU H    H   9.093 0.02 1 
       957 .  93 LEU HA   H   4.660 0.02 1 
       958 .  93 LEU HB2  H   1.596 0.02 2 
       959 .  93 LEU HB3  H  -0.024 0.02 2 
       960 .  93 LEU HG   H   1.463 0.02 1 
       961 .  93 LEU HD1  H   0.340 0.02 1 
       962 .  93 LEU HD2  H   0.076 0.02 1 
       963 .  93 LEU C    C 175.188 0.1  1 
       964 .  93 LEU CA   C  52.479 0.1  1 
       965 .  93 LEU CB   C  43.770 0.1  1 
       966 .  93 LEU CG   C  25.277 0.1  1 
       967 .  93 LEU CD1  C  23.114 0.1  1 
       968 .  93 LEU CD2  C  25.282 0.1  1 
       969 .  93 LEU N    N 126.598 0.1  1 
       970 .  94 SER H    H   7.964 0.02 1 
       971 .  94 SER HA   H   4.637 0.02 1 
       972 .  94 SER HB2  H   3.865 0.02 1 
       973 .  94 SER HB3  H   3.865 0.02 1 
       974 .  94 SER C    C 175.404 0.1  1 
       975 .  94 SER CA   C  56.461 0.1  1 
       976 .  94 SER CB   C  63.446 0.1  1 
       977 .  94 SER N    N 114.473 0.1  1 
       978 .  95 ALA H    H   8.270 0.02 1 
       979 .  95 ALA HA   H   3.762 0.02 1 
       980 .  95 ALA HB   H   1.146 0.02 1 
       981 .  95 ALA C    C 177.487 0.1  1 
       982 .  95 ALA CA   C  53.593 0.1  1 
       983 .  95 ALA CB   C  17.879 0.1  1 
       984 .  95 ALA N    N 126.897 0.1  1 
       985 .  96 GLY H    H   8.289 0.02 1 
       986 .  96 GLY HA2  H   4.347 0.02 2 
       987 .  96 GLY HA3  H   3.655 0.02 2 
       988 .  96 GLY C    C 172.404 0.1  1 
       989 .  96 GLY CA   C  43.570 0.1  1 
       990 .  96 GLY N    N 111.803 0.1  1 
       991 .  97 ASN H    H   8.238 0.02 1 
       992 .  97 ASN HA   H   5.170 0.02 1 
       993 .  97 ASN HB2  H   2.248 0.02 2 
       994 .  97 ASN HB3  H   2.360 0.02 2 
       995 .  97 ASN HD21 H   6.059 0.02 2 
       996 .  97 ASN HD22 H   7.353 0.02 2 
       997 .  97 ASN C    C 175.620 0.1  1 
       998 .  97 ASN CA   C  53.900 0.1  1 
       999 .  97 ASN CB   C  40.926 0.1  1 
      1000 .  97 ASN N    N 120.440 0.1  1 
      1001 .  97 ASN ND2  N 110.731 0.1  1 
      1002 .  98 HIS H    H   8.997 0.02 1 
      1003 .  98 HIS HA   H   4.672 0.02 1 
      1004 .  98 HIS HB2  H   2.457 0.02 2 
      1005 .  98 HIS HB3  H   2.695 0.02 2 
      1006 .  98 HIS HD2  H   7.050 0.02 1 
      1007 .  98 HIS HE1  H   8.710 0.02 1 
      1008 .  98 HIS C    C 172.379 0.1  1 
      1009 .  98 HIS CA   C  54.413 0.1  1 
      1010 .  98 HIS CB   C  33.685 0.1  1 
      1011 .  98 HIS CD2  C 120.500 0.1  1 
      1012 .  98 HIS CE1  C 136.626 0.1  1 
      1013 .  98 HIS N    N 121.964 0.1  1 
      1014 .  99 SER H    H   8.619 0.02 1 
      1015 .  99 SER HA   H   5.748 0.02 1 
      1016 .  99 SER HB2  H   3.257 0.02 2 
      1017 .  99 SER HB3  H   3.476 0.02 2 
      1018 .  99 SER C    C 174.096 0.1  1 
      1019 .  99 SER CA   C  56.465 0.1  1 
      1020 .  99 SER CB   C  65.257 0.1  1 
      1021 .  99 SER N    N 116.169 0.1  1 
      1022 . 100 PHE H    H   8.872 0.02 1 
      1023 . 100 PHE HA   H   5.380 0.02 1 
      1024 . 100 PHE HB2  H   2.879 0.02 2 
      1025 . 100 PHE HB3  H   3.147 0.02 2 
      1026 . 100 PHE HD1  H   7.416 0.02 1 
      1027 . 100 PHE HD2  H   7.416 0.02 1 
      1028 . 100 PHE HE1  H   6.950 0.02 1 
      1029 . 100 PHE HZ   H   6.785 0.02 1 
      1030 . 100 PHE C    C 174.808 0.1  1 
      1031 . 100 PHE CA   C  55.583 0.1  1 
      1032 . 100 PHE CB   C  45.848 0.1  1 
      1033 . 100 PHE CD1  C 133.035 0.1  1 
      1034 . 100 PHE CD2  C 133.035 0.1  1 
      1035 . 100 PHE CE1  C 130.965 0.1  1 
      1036 . 100 PHE CE2  C 130.965 0.1  1 
      1037 . 100 PHE CZ   C 128.135 0.1  1 
      1038 . 100 PHE N    N 119.041 0.1  1 
      1039 . 101 GLY H    H   9.456 0.02 1 
      1040 . 101 GLY HA2  H   3.892 0.02 2 
      1041 . 101 GLY HA3  H   5.579 0.02 2 
      1042 . 101 GLY C    C 181.604 0.1  1 
      1043 . 101 GLY CA   C  46.032 0.1  1 
      1044 . 101 GLY N    N 108.067 0.1  1 
      1045 . 102 VAL H    H   8.386 0.02 1 
      1046 . 102 VAL HA   H   5.051 0.02 1 
      1047 . 102 VAL HB   H   1.536 0.02 1 
      1048 . 102 VAL HG1  H   0.545 0.02 1 
      1049 . 102 VAL HG2  H   0.780 0.02 1 
      1050 . 102 VAL C    C 172.940 0.1  1 
      1051 . 102 VAL CA   C  60.331 0.1  1 
      1052 . 102 VAL CB   C  36.003 0.1  1 
      1053 . 102 VAL CG1  C  22.261 0.1  1 
      1054 . 102 VAL CG2  C  22.261 0.1  1 
      1055 . 102 VAL N    N 119.847 0.1  1 
      1056 . 103 ARG H    H   9.363 0.02 1 
      1057 . 103 ARG HA   H   4.954 0.02 1 
      1058 . 103 ARG HB2  H   1.412 0.02 2 
      1059 . 103 ARG HB3  H   1.702 0.02 2 
      1060 . 103 ARG HG2  H   1.236 0.02 1 
      1061 . 103 ARG HG3  H   1.236 0.02 1 
      1062 . 103 ARG HD2  H   2.914 0.02 1 
      1063 . 103 ARG HD3  H   2.914 0.02 1 
      1064 . 103 ARG C    C 172.485 0.1  1 
      1065 . 103 ARG CA   C  53.596 0.1  1 
      1066 . 103 ARG CB   C  34.843 0.1  1 
      1067 . 103 ARG CG   C  26.515 0.1  1 
      1068 . 103 ARG CD   C  43.322 0.1  1 
      1069 . 103 ARG N    N 123.840 0.1  1 
      1070 . 104 VAL H    H   8.252 0.02 1 
      1071 . 104 VAL HA   H   4.711 0.02 1 
      1072 . 104 VAL HB   H   2.133 0.02 1 
      1073 . 104 VAL HG1  H   0.755 0.02 1 
      1074 . 104 VAL HG2  H   0.887 0.02 1 
      1075 . 104 VAL C    C 177.701 0.1  1 
      1076 . 104 VAL CA   C  60.154 0.1  1 
      1077 . 104 VAL CB   C  31.852 0.1  1 
      1078 . 104 VAL CG1  C  22.036 0.1  1 
      1079 . 104 VAL CG2  C  20.683 0.1  1 
      1080 . 104 VAL N    N 120.821 0.1  1 
      1081 . 105 GLY H    H  10.746 0.02 1 
      1082 . 105 GLY HA2  H   3.830 0.02 2 
      1083 . 105 GLY HA3  H   4.340 0.02 2 
      1084 . 105 GLY C    C 174.995 0.1  1 
      1085 . 105 GLY CA   C  44.041 0.1  1 
      1086 . 105 GLY N    N 119.276 0.1  1 
      1087 . 106 SER H    H   8.527 0.02 1 
      1088 . 106 SER HA   H   3.976 0.02 1 
      1089 . 106 SER HB2  H   3.841 0.02 1 
      1090 . 106 SER HB3  H   3.841 0.02 1 
      1091 . 106 SER C    C 175.771 0.1  1 
      1092 . 106 SER CA   C  61.800 0.1  1 
      1093 . 106 SER CB   C  62.677 0.1  1 
      1094 . 106 SER N    N 113.671 0.1  1 
      1095 . 107 SER H    H   8.353 0.02 1 
      1096 . 107 SER HA   H   4.680 0.02 1 
      1097 . 107 SER HB2  H   3.804 0.02 2 
      1098 . 107 SER HB3  H   3.952 0.02 2 
      1099 . 107 SER C    C 174.102 0.1  1 
      1100 . 107 SER CA   C  57.521 0.1  1 
      1101 . 107 SER CB   C  63.449 0.1  1 
      1102 . 107 SER N    N 114.197 0.1  1 
      1103 . 108 ASP H    H   7.111 0.02 1 
      1104 . 108 ASP HA   H   4.708 0.02 1 
      1105 . 108 ASP HB2  H   3.048 0.02 2 
      1106 . 108 ASP HB3  H   3.978 0.02 2 
      1107 . 108 ASP C    C 176.541 0.1  1 
      1108 . 108 ASP CA   C  54.352 0.1  1 
      1109 . 108 ASP CB   C  41.700 0.1  1 
      1110 . 108 ASP N    N 123.317 0.1  1 
      1111 . 109 TRP H    H   9.271 0.02 1 
      1112 . 109 TRP HA   H   4.772 0.02 1 
      1113 . 109 TRP HB2  H   3.045 0.02 2 
      1114 . 109 TRP HB3  H   3.676 0.02 2 
      1115 . 109 TRP HD1  H   7.288 0.02 1 
      1116 . 109 TRP HE1  H  10.397 0.02 1 
      1117 . 109 TRP HE3  H   7.834 0.02 1 
      1118 . 109 TRP HZ2  H   7.461 0.02 1 
      1119 . 109 TRP HZ3  H   7.136 0.02 1 
      1120 . 109 TRP HH2  H   7.184 0.02 1 
      1121 . 109 TRP C    C 178.428 0.1  1 
      1122 . 109 TRP CA   C  57.054 0.1  1 
      1123 . 109 TRP CB   C  31.072 0.1  1 
      1124 . 109 TRP CD1  C 125.789 0.1  1 
      1125 . 109 TRP CE3  C 120.597 0.1  1 
      1126 . 109 TRP CZ2  C 115.260 0.1  1 
      1127 . 109 TRP CZ3  C 122.651 0.1  1 
      1128 . 109 TRP CH2  C 125.385 0.1  1 
      1129 . 109 TRP N    N 119.216 0.1  1 
      1130 . 109 TRP NE1  N 131.051 0.1  1 
      1131 . 110 GLY H    H   9.234 0.02 1 
      1132 . 110 GLY HA2  H   3.739 0.02 2 
      1133 . 110 GLY HA3  H   4.252 0.02 2 
      1134 . 110 GLY C    C 174.056 0.02 1 
      1135 . 110 GLY CA   C  45.867 0.02 1 
      1136 . 110 GLY N    N 111.685 0.02 1 
      1137 . 111 TYR H    H   7.469 0.02 1 
      1138 . 111 TYR HA   H   4.173 0.02 1 
      1139 . 111 TYR HB2  H   2.561 0.02 2 
      1140 . 111 TYR HB3  H   2.976 0.02 2 
      1141 . 111 TYR HD1  H   7.189 0.02 1 
      1142 . 111 TYR HE1  H   6.678 0.02 1 
      1143 . 111 TYR C    C 173.567 0.1  1 
      1144 . 111 TYR CA   C  60.446 0.1  1 
      1145 . 111 TYR CB   C  38.316 0.1  1 
      1146 . 111 TYR CD1  C 134.040 0.1  1 
      1147 . 111 TYR CD2  C 134.040 0.1  1 
      1148 . 111 TYR CE1  C 117.630 0.1  1 
      1149 . 111 TYR CE2  C 117.630 0.1  1 
      1150 . 111 TYR N    N 112.919 0.1  1 
      1151 . 112 MET H    H   6.944 0.02 1 
      1152 . 112 MET HA   H   4.641 0.02 1 
      1153 . 112 MET HB2  H   2.195 0.02 2 
      1154 . 112 MET HB3  H   2.756 0.02 2 
      1155 . 112 MET HG2  H   1.933 0.02 2 
      1156 . 112 MET HG3  H   1.594 0.02 2 
      1157 . 112 MET HE   H   1.024 0.02 1 
      1158 . 112 MET C    C 172.293 0.1  1 
      1159 . 112 MET CA   C  55.526 0.1  1 
      1160 . 112 MET CB   C  32.906 0.1  1 
      1161 . 112 MET CG   C  31.421 0.1  1 
      1162 . 112 MET CE   C  16.925 0.1  1 
      1163 . 112 MET N    N 110.457 0.1  1 
      1164 . 113 ASN H    H   8.853 0.02 1 
      1165 . 113 ASN HA   H   5.768 0.02 1 
      1166 . 113 ASN HB2  H   2.059 0.02 2 
      1167 . 113 ASN HB3  H   3.189 0.02 2 
      1168 . 113 ASN HD21 H   6.496 0.02 1 
      1169 . 113 ASN HD22 H   6.856 0.02 1 
      1170 . 113 ASN C    C 174.764 0.1  1 
      1171 . 113 ASN CA   C  52.361 0.1  1 
      1172 . 113 ASN CB   C  41.680 0.1  1 
      1173 . 113 ASN N    N 115.901 0.1  1 
      1174 . 113 ASN ND2  N 108.926 0.1  1 
      1175 . 114 VAL H    H   9.507 0.02 1 
      1176 . 114 VAL HA   H   4.502 0.02 1 
      1177 . 114 VAL HB   H   1.973 0.02 1 
      1178 . 114 VAL HG1  H   0.779 0.02 1 
      1179 . 114 VAL HG2  H   1.120 0.02 1 
      1180 . 114 VAL C    C 174.602 0.1  1 
      1181 . 114 VAL CA   C  62.325 0.1  1 
      1182 . 114 VAL CB   C  33.255 0.1  1 
      1183 . 114 VAL CG1  C  20.954 0.1  1 
      1184 . 114 VAL CG2  C  23.095 0.1  1 
      1185 . 114 VAL N    N 121.238 0.1  1 
      1186 . 115 HIS H    H   9.549 0.02 1 
      1187 . 115 HIS HA   H   4.700 0.02 1 
      1188 . 115 HIS HB2  H   2.890 0.02 2 
      1189 . 115 HIS HB3  H   3.181 0.02 2 
      1190 . 115 HIS HE1  H   7.853 0.02 1 
      1191 . 115 HIS C    C 175.555 0.1  1 
      1192 . 115 HIS CA   C  59.218 0.1  1 
      1193 . 115 HIS CB   C  30.593 0.1  1 
      1194 . 115 HIS CE1  C 144.002 0.1  1 
      1195 . 115 HIS N    N 125.470 0.1  1 
      1196 . 116 SER H    H   7.763 0.02 1 
      1197 . 116 SER HA   H   5.159 0.02 1 
      1198 . 116 SER HB2  H   3.689 0.02 2 
      1199 . 116 SER HB3  H   3.893 0.02 2 
      1200 . 116 SER C    C 169.981 0.1  1 
      1201 . 116 SER CA   C  57.984 0.1  1 
      1202 . 116 SER CB   C  65.079 0.1  1 
      1203 . 116 SER N    N 108.594 0.1  1 
      1204 . 117 LEU H    H   8.524 0.02 1 
      1205 . 117 LEU HA   H   4.812 0.02 1 
      1206 . 117 LEU HB2  H  -0.576 0.02 2 
      1207 . 117 LEU HB3  H   0.268 0.02 2 
      1208 . 117 LEU HG   H   0.215 0.02 1 
      1209 . 117 LEU HD1  H   0.315 0.02 1 
      1210 . 117 LEU HD2  H   0.315 0.02 1 
      1211 . 117 LEU C    C 173.663 0.1  1 
      1212 . 117 LEU CA   C  52.248 0.1  1 
      1213 . 117 LEU CB   C  43.783 0.1  1 
      1214 . 117 LEU CG   C  26.512 0.1  1 
      1215 . 117 LEU CD1  C  22.305 0.1  1 
      1216 . 117 LEU CD2  C  22.305 0.1  1 
      1217 . 117 LEU N    N 123.345 0.1  1 
      1218 . 118 LYS H    H   9.036 0.02 1 
      1219 . 118 LYS HA   H   5.627 0.02 1 
      1220 . 118 LYS HB2  H   1.525 0.02 2 
      1221 . 118 LYS HB3  H   1.681 0.02 2 
      1222 . 118 LYS HG2  H   0.743 0.02 2 
      1223 . 118 LYS HG3  H   1.387 0.02 2 
      1224 . 118 LYS HD2  H   1.329 0.02 2 
      1225 . 118 LYS HD3  H   1.373 0.02 2 
      1226 . 118 LYS HE2  H   2.526 0.02 2 
      1227 . 118 LYS HE3  H   2.600 0.02 2 
      1228 . 118 LYS C    C 175.728 0.1  1 
      1229 . 118 LYS CA   C  54.039 0.1  1 
      1230 . 118 LYS CB   C  35.756 0.1  1 
      1231 . 118 LYS CG   C  25.069 0.1  1 
      1232 . 118 LYS CD   C  29.051 0.1  1 
      1233 . 118 LYS CE   C  41.454 0.1  1 
      1234 . 118 LYS N    N 127.079 0.1  1 
      1235 . 119 LEU H    H   9.297 0.02 1 
      1236 . 119 LEU HA   H   5.380 0.02 1 
      1237 . 119 LEU HB2  H   1.572 0.02 2 
      1238 . 119 LEU HB3  H   1.913 0.02 2 
      1239 . 119 LEU HG   H   1.353 0.02 1 
      1240 . 119 LEU HD1  H   0.278 0.02 1 
      1241 . 119 LEU HD2  H   0.496 0.02 1 
      1242 . 119 LEU C    C 175.749 0.1  1 
      1243 . 119 LEU CA   C  53.657 0.1  1 
      1244 . 119 LEU CB   C  45.572 0.1  1 
      1245 . 119 LEU CG   C  28.514 0.1  1 
      1246 . 119 LEU CD1  C  25.283 0.1  1 
      1247 . 119 LEU CD2  C  25.283 0.1  1 
      1248 . 119 LEU N    N 129.826 0.1  1 
      1249 . 120 GLU H    H   8.988 0.02 1 
      1250 . 120 GLU HA   H   4.955 0.02 1 
      1251 . 120 GLU HB2  H   1.919 0.02 1 
      1252 . 120 GLU HB3  H   1.919 0.02 1 
      1253 . 120 GLU HG2  H   1.798 0.02 1 
      1254 . 120 GLU HG3  H   1.798 0.02 1 
      1255 . 120 GLU C    C 174.800 0.1  1 
      1256 . 120 GLU CA   C  54.236 0.1  1 
      1257 . 120 GLU CB   C  33.124 0.1  1 
      1258 . 120 GLU CG   C  36.864 0.1  1 
      1259 . 120 GLU N    N 120.482 0.1  1 
      1260 . 121 LEU H    H   8.572 0.02 1 
      1261 . 121 LEU HA   H   3.807 0.02 1 
      1262 . 121 LEU HB2  H   1.329 0.02 2 
      1263 . 121 LEU HB3  H   1.756 0.02 2 
      1264 . 121 LEU HG   H   0.804 0.02 1 
      1265 . 121 LEU HD1  H   0.252 0.02 1 
      1266 . 121 LEU HD2  H   0.252 0.02 1 
      1267 . 121 LEU C    C 176.026 0.1  1 
      1268 . 121 LEU CA   C  54.776 0.1  1 
      1269 . 121 LEU CB   C  42.228 0.1  1 
      1270 . 121 LEU CG   C  26.361 0.1  1 
      1271 . 121 LEU CD1  C  20.670 0.1  1 
      1272 . 121 LEU CD2  C  20.670 0.1  1 
      1273 . 121 LEU N    N 126.972 0.1  1 
      1274 . 122 LEU H    H   8.847 0.02 1 
      1275 . 122 LEU HA   H   4.326 0.02 1 
      1276 . 122 LEU HB2  H   1.302 0.02 2 
      1277 . 122 LEU HB3  H   1.536 0.02 2 
      1278 . 122 LEU HG   H   0.645 0.02 1 
      1279 . 122 LEU HD1  H   0.559 0.02 1 
      1280 . 122 LEU HD2  H   0.559 0.02 1 
      1281 . 122 LEU C    C 177.619 0.1  1 
      1282 . 122 LEU CA   C  54.532 0.1  1 
      1283 . 122 LEU CB   C  41.204 0.1  1 
      1284 . 122 LEU CG   C  25.785 0.1  1 
      1285 . 122 LEU CD1  C  21.737 0.1  1 
      1286 . 122 LEU CD2  C  21.737 0.1  1 
      1287 . 122 LEU N    N 129.761 0.1  1 
      1288 . 123 GLY H    H   7.665 0.02 1 
      1289 . 123 GLY HA2  H   3.812 0.02 2 
      1290 . 123 GLY HA3  H   4.003 0.02 2 
      1291 . 123 GLY C    C 173.715 0.1  1 
      1292 . 123 GLY CA   C  45.036 0.1  1 
      1293 . 123 GLY N    N 106.738 0.1  1 
      1294 . 124 GLY H    H   8.277 0.02 1 
      1295 . 124 GLY HA2  H   3.883 0.02 2 
      1296 . 124 GLY HA3  H   3.780 0.02 2 
      1297 . 124 GLY C    C 173.755 0.1  1 
      1298 . 124 GLY CA   C  44.976 0.1  1 
      1299 . 124 GLY N    N 108.728 0.1  1 
      1300 . 125 LEU H    H   7.931 0.02 1 
      1301 . 125 LEU HA   H   4.324 0.02 1 
      1302 . 125 LEU CA   C  55.290 0.1  1 
      1303 . 125 LEU N    N 108.160 0.1  1 
      1304 . 126 THR H    H   7.650 0.02 1 
      1305 . 126 THR HA   H   4.073 0.02 1 
      1306 . 126 THR HB   H   4.147 0.02 1 
      1307 . 126 THR HG2  H   1.048 0.02 1 
      1308 . 126 THR CA   C  62.721 0.1  1 
      1309 . 126 THR CB   C  70.540 0.1  1 
      1310 . 126 THR CG2  C  21.505 0.1  1 
      1311 . 126 THR N    N 119.170 0.1  1 
      1312 . 127 ILE HA   H   3.574 0.02 1 
      1313 . 127 ILE HB   H   1.877 0.02 1 
      1314 . 127 ILE HG12 H   1.365 0.02 2 
      1315 . 127 ILE HG13 H   1.164 0.02 2 
      1316 . 127 ILE HG2  H   0.901 0.02 1 
      1317 . 127 ILE HD1  H   0.834 0.02 1 
      1318 . 127 ILE CA   C  62.053 0.1  1 
      1319 . 127 ILE CB   C  38.203 0.1  1 
      1320 . 127 ILE CG1  C  26.891 0.1  1 
      1321 . 127 ILE CG2  C  17.192 0.1  1 
      1322 . 127 ILE CD1  C  13.562 0.1  1 

   stop_

save_