data_4796

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

save_entry_information
   _Saveframe_category      entry_information

   _Entry_title            
;
Solution structure of hypothetical protein MTH1175 from Methanobacterium 
thermoautotrophicum
;
   _BMRB_accession_number   4796
   _BMRB_flat_file_name     bmr4796.str
   _Entry_type              original
   _Submission_date         2000-07-26
   _Accession_date          2000-07-26
   _Entry_origination       author
   _NMR_STAR_version        2.1.1
   _Experimental_method     NMR
   _Details                 .

   loop_
      _Author_ordinal
      _Author_family_name
      _Author_given_name
      _Author_middle_initials
      _Author_family_title

      1 Cort       J. R. . 
      2 Yee        A. .  . 
      3 Edwards    A. M. . 
      4 Arrowsmith C. H. . 
      5 Kennedy    M. A. . 

   stop_

   loop_
      _Saveframe_category_type
      _Saveframe_category_type_count

      assigned_chemical_shifts 1 

   stop_

   loop_
      _Data_type
      _Data_type_count

      "1H chemical shifts"  506 
      "13C chemical shifts" 435 
      "15N chemical shifts" 122 

   stop_

   loop_
      _Revision_date
      _Revision_keyword
      _Revision_author
      _Revision_detail

      2002-01-23 original author . 

   stop_

   _Original_release_date   2002-01-23

save_


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

save_entry_citation
   _Saveframe_category           entry_citation

   _Citation_full                .
   _Citation_title              
;
NMR Structure Determination and Structure-Based Functional Classification of
Conserved Hypothetical Protein MTH1175 from Methanobacterium
thermoautotrophicum
;
   _Citation_status              published
   _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 Cort       J. R. . 
      2 Yee        A. .  . 
      3 Edwards    A. M. . 
      4 Arrowsmith C. H. . 
      5 Kennedy    M. A. . 

   stop_

   _Journal_abbreviation        'J. Struct. Funct. Gen.'
   _Journal_volume               1
   _Journal_issue                .
   _Journal_CSD                  .
   _Book_chapter_title           .
   _Book_volume                  .
   _Book_series                  .
   _Book_ISBN                    .
   _Conference_state_province    .
   _Conference_abstract_number   .
   _Page_first                   15
   _Page_last                    25
   _Year                         2000
   _Details                      .

   loop_
      _Keyword

      'Ribonuclease H fold'                  
      'mixed a/b protein'                    
      'mixed beta sheet'                     
      'strand order 321456'                  
      'strands 2 and 6 antiparallel to rest' 

   stop_

save_


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

save_system_MTH1175
   _Saveframe_category         molecular_system

   _Mol_system_name           'HYPOTHETICAL PROTEIN MTH1175'
   _Abbreviation_common        MTH1175
   _Enzyme_commission_number   .

   loop_
      _Mol_system_component_name
      _Mol_label

      MTH1175 $MTH1175 

   stop_

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

save_


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

save_MTH1175
   _Saveframe_category                          monomeric_polymer

   _Mol_type                                    polymer
   _Mol_polymer_class                           protein
   _Name_common                                'HYPOTHETICAL PROTEIN MTH1175'
   _Abbreviation_common                         MTH1175
   _Molecular_mass                              15323
   _Mol_thiol_state                            'not present'
   _Details                                    
;
The quoted molecular mass includes the 20 residue N-terminal tag seqeunce.

The protein studied has a 20 residue N-terminal tag, MGSSHHHHHHSSGLVPRGSH, for
purification purposes. The tag does not appear to influcence the structure, on the
basis of the appearance of 1H-15N HSQC spectra of the protein with the tag versus
spectra of the protein with the tag removed by trypsin cleavage
;

   	##############################
   	#  Polymer residue sequence  #
   	##############################
   
      _Residue_count                               144
   _Mol_residue_sequence                       
;
MGSSHHHHHHSSGLVPRGSH
MKIAIASSGTDLGSEVSRFF
GRAPYFMIVEMKKGNIESSE
VIENPSASASGGAGIRTAQI
IANNGVKAVIASSPGPNAFE
VLNELGIKIYRATGTSVEEN
LKLFTEGNLEEIRSPGSGRG
RRRR
;

   loop_
      _Residue_seq_code
      _Residue_label

        1 MET    2 GLY    3 SER    4 SER    5 HIS 
        6 HIS    7 HIS    8 HIS    9 HIS   10 HIS 
       11 SER   12 SER   13 GLY   14 LEU   15 VAL 
       16 PRO   17 ARG   18 GLY   19 SER   20 HIS 
       21 MET   22 LYS   23 ILE   24 ALA   25 ILE 
       26 ALA   27 SER   28 SER   29 GLY   30 THR 
       31 ASP   32 LEU   33 GLY   34 SER   35 GLU 
       36 VAL   37 SER   38 ARG   39 PHE   40 PHE 
       41 GLY   42 ARG   43 ALA   44 PRO   45 TYR 
       46 PHE   47 MET   48 ILE   49 VAL   50 GLU 
       51 MET   52 LYS   53 LYS   54 GLY   55 ASN 
       56 ILE   57 GLU   58 SER   59 SER   60 GLU 
       61 VAL   62 ILE   63 GLU   64 ASN   65 PRO 
       66 SER   67 ALA   68 SER   69 ALA   70 SER 
       71 GLY   72 GLY   73 ALA   74 GLY   75 ILE 
       76 ARG   77 THR   78 ALA   79 GLN   80 ILE 
       81 ILE   82 ALA   83 ASN   84 ASN   85 GLY 
       86 VAL   87 LYS   88 ALA   89 VAL   90 ILE 
       91 ALA   92 SER   93 SER   94 PRO   95 GLY 
       96 PRO   97 ASN   98 ALA   99 PHE  100 GLU 
      101 VAL  102 LEU  103 ASN  104 GLU  105 LEU 
      106 GLY  107 ILE  108 LYS  109 ILE  110 TYR 
      111 ARG  112 ALA  113 THR  114 GLY  115 THR 
      116 SER  117 VAL  118 GLU  119 GLU  120 ASN 
      121 LEU  122 LYS  123 LEU  124 PHE  125 THR 
      126 GLU  127 GLY  128 ASN  129 LEU  130 GLU 
      131 GLU  132 ILE  133 ARG  134 SER  135 PRO 
      136 GLY  137 SER  138 GLY  139 ARG  140 GLY 
      141 ARG  142 ARG  143 ARG  144 ARG 

   stop_

   _Sequence_homology_query_date                .
   _Sequence_homology_query_revised_last_date   2014-03-03

   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 1EO1         "Solution Structure Of Hypothetical Protein Mth1175 From Methanobacterium Thermoautotrophicum" 86.11 124 100.00 100.00 2.41e-80 
      GB  AAB85664     "conserved protein [Methanothermobacter thermautotrophicus str. Delta H]"                      86.11 124 100.00 100.00 2.41e-80 
      REF NP_276303    "hypothetical protein MTH1175 [Methanothermobacter thermautotrophicus str. Delta H]"           86.11 124 100.00 100.00 2.41e-80 
      REF WP_010876799 "hypothetical protein [Methanothermobacter thermautotrophicus]"                                86.11 124 100.00 100.00 2.41e-80 

   stop_

save_


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

save_natural_source
   _Saveframe_category   natural_source


   loop_
      _Mol_label
      _Organism_name_common
      _NCBI_taxonomy_ID
      _Superkingdom
      _Kingdom
      _Genus
      _Species
      _Strain
      _Details

      $MTH1175 'Methanobacterium thermoautotrophicum' 145262 Archaea . Methanobacterium thermoautotrophicum 'delta H' 'genomic DNA' 

   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

      $MTH1175 'recombinant technology' 'E. coli' Escherichia coli BL21(DE3) plasmid PET15B 

   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
      _Concentration_min_value
      _Concentration_max_value
      _Isotopic_labeling

      $MTH1175              . mM 1.5 2.0 '[U-13C; U-15N]' 
       NaCl              150 mM  .   .   .               
      'phosphate buffer'  25 mM  .   .   .               

   stop_

save_


save_sample_2
   _Saveframe_category   sample

   _Sample_type          solution
   _Details              .

   loop_
      _Mol_label
      _Concentration_value
      _Concentration_value_units
      _Concentration_min_value
      _Concentration_max_value
      _Isotopic_labeling

      $MTH1175              . mM 1.5 2.0 [U-15N] 
       NaCl              150 mM  .   .  .       
      'phosphate buffer'  25 mM  .   .  .       

   stop_

save_


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

save_X-PLOR
   _Saveframe_category   software

   _Name                 X-PLOR
   _Version              3.1

   loop_
      _Task

      'refinement, structure solution' 

   stop_

   _Details              Brunger

save_


save_FELIX
   _Saveframe_category   software

   _Name                 FELIX
   _Version              98

   loop_
      _Task

      processing 

   stop_

   _Details              MSI

save_


save_VNMR
   _Saveframe_category   software

   _Name                 VNMR
   _Version              .

   loop_
      _Task

      collection 

   stop_

   _Details              Varian

save_


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

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

save_NMR_spectrometer_1
   _Saveframe_category   NMR_spectrometer

   _Manufacturer         Varian
   _Model                Inova
   _Field_strength       600
   _Details              .

save_


save_NMR_spectrometer_2
   _Saveframe_category   NMR_spectrometer

   _Manufacturer         Varian
   _Model               'Unity Plus'
   _Field_strength       500
   _Details              .

save_


save_NMR_spectrometer_3
   _Saveframe_category   NMR_spectrometer

   _Manufacturer         Varian
   _Model                Inova
   _Field_strength       750
   _Details              .

save_


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

save_4D_13C-separated_NOESY_1
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '4D 13C-separated_NOESY'
   _Sample_label         .

save_


save_3D_15N-separated_NOESY_2
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D 15N-separated_NOESY'
   _Sample_label         .

save_


save_HNHA_3
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name      HNHA
   _Sample_label         .

save_


save_3D_13C,15N-simultaneous_NOESY_4
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D 13C,15N-simultaneous NOESY'
   _Sample_label         .

save_


save_1H-15N_HSQC_D2O_exchange_5
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '1H-15N HSQC D2O exchange'
   _Sample_label         .

save_


save_HNCO_6
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name      HNCO
   _Sample_label         .

save_


save_HNCACB_7
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name      HNCACB
   _Sample_label         .

save_


save_CBCACONNH_8
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name      CBCACONNH
   _Sample_label         .

save_


save_CBCACOCAHA_9
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name      CBCACOCAHA
   _Sample_label         .

save_


save_HCCH-TOCSY_10
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name      HCCH-TOCSY
   _Sample_label         .

save_


save_HCC-TOCSY-NNH_11
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name      HCC-TOCSY-NNH
   _Sample_label         .

save_


save_CCC-TOCSY-NNH_12
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name      CCC-TOCSY-NNH
   _Sample_label         .

save_


save_NMR_spec_expt__0_1
   _Saveframe_category                     NMR_applied_experiment

   _Experiment_name                       '4D 13C-separated_NOESY'
   _BMRB_pulse_sequence_accession_number   .
   _Details                                .

save_


save_NMR_spec_expt__0_2
   _Saveframe_category                     NMR_applied_experiment

   _Experiment_name                       '3D 15N-separated_NOESY'
   _BMRB_pulse_sequence_accession_number   .
   _Details                                .

save_


save_NMR_spec_expt__0_3
   _Saveframe_category                     NMR_applied_experiment

   _Experiment_name                        HNHA
   _BMRB_pulse_sequence_accession_number   .
   _Details                                .

save_


save_NMR_spec_expt__0_4
   _Saveframe_category                     NMR_applied_experiment

   _Experiment_name                       '3D 13C,15N-simultaneous NOESY'
   _BMRB_pulse_sequence_accession_number   .
   _Details                                .

save_


save_NMR_spec_expt__0_5
   _Saveframe_category                     NMR_applied_experiment

   _Experiment_name                       '1H-15N HSQC D2O exchange'
   _BMRB_pulse_sequence_accession_number   .
   _Details                                .

save_


save_NMR_spec_expt__0_6
   _Saveframe_category                     NMR_applied_experiment

   _Experiment_name                        HNCO
   _BMRB_pulse_sequence_accession_number   .
   _Details                                .

save_


save_NMR_spec_expt__0_7
   _Saveframe_category                     NMR_applied_experiment

   _Experiment_name                        HNCACB
   _BMRB_pulse_sequence_accession_number   .
   _Details                                .

save_


save_NMR_spec_expt__0_8
   _Saveframe_category                     NMR_applied_experiment

   _Experiment_name                        CBCACONNH
   _BMRB_pulse_sequence_accession_number   .
   _Details                                .

save_


save_NMR_spec_expt__0_9
   _Saveframe_category                     NMR_applied_experiment

   _Experiment_name                        CBCACOCAHA
   _BMRB_pulse_sequence_accession_number   .
   _Details                                .

save_


save_NMR_spec_expt__0_10
   _Saveframe_category                     NMR_applied_experiment

   _Experiment_name                        HCCH-TOCSY
   _BMRB_pulse_sequence_accession_number   .
   _Details                                .

save_


save_NMR_spec_expt__0_11
   _Saveframe_category                     NMR_applied_experiment

   _Experiment_name                        HCC-TOCSY-NNH
   _BMRB_pulse_sequence_accession_number   .
   _Details                                .

save_


save_NMR_spec_expt__0_12
   _Saveframe_category                     NMR_applied_experiment

   _Experiment_name                        CCC-TOCSY-NNH
   _BMRB_pulse_sequence_accession_number   .
   _Details                                .

save_


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

save_sample_cond_1
   _Saveframe_category   sample_conditions

   _Details              .

   loop_
      _Variable_type
      _Variable_value
      _Variable_value_error
      _Variable_value_units

       pH                6.5 0.2 n.a 
       temperature     298   1   K   
      'ionic strength' 150    .  mM  

   stop_

save_


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

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

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

save_chemical_shift_reference
   _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

      DSS H  1 'methyl protons' ppm 0.00 external direct   cylindrical external_to_the_sample parallel_to_Bo  .          $entry_citation $entry_citation 
      DSS N 15 'methyl protons' ppm 0.0  .        indirect .           .                      .              0.101329118 $entry_citation $entry_citation 
      DSS C 13 'methyl protons' ppm 0.0  .        indirect .           .                      .              0.251449530 $entry_citation $entry_citation 

   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_set_1
   _Saveframe_category               assigned_chemical_shifts

   _Details                          .

   loop_
      _Experiment_label

      '4D 13C-separated_NOESY'        
      '3D 15N-separated_NOESY'        
       HNHA                           
      '3D 13C,15N-simultaneous NOESY' 
      '1H-15N HSQC D2O exchange'      
       HNCO                           
       HNCACB                         
       CBCACONNH                      
       CBCACOCAHA                     
       HCCH-TOCSY                     
       HCC-TOCSY-NNH                  
       CCC-TOCSY-NNH                  

   stop_

   _Sample_conditions_label         $sample_cond_1
   _Chem_shift_reference_set_label  $chemical_shift_reference
   _Mol_system_component_name        MTH1175
   _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 .  21 MET H    H   8.72 0.02 1 
         2 .  21 MET HA   H   4.70 0.02 1 
         3 .  21 MET HB2  H   2.00 0.02 2 
         4 .  21 MET HG2  H   2.38 0.02 2 
         5 .  21 MET HG3  H   2.60 0.02 2 
         6 .  21 MET HE   H   2.15 0.02 1 
         7 .  21 MET CA   C  55.2  0.1  1 
         8 .  21 MET CB   C  35.1  0.1  1 
         9 .  21 MET CG   C  31.5  0.1  1 
        10 .  21 MET CE   C  17.1  0.1  1 
        11 .  21 MET N    N 123.1  0.05 1 
        12 .  22 LYS H    H   8.30 0.02 1 
        13 .  22 LYS HA   H   5.45 0.02 1 
        14 .  22 LYS HB2  H   1.63 0.02 4 
        15 .  22 LYS HG2  H   1.43 0.02 4 
        16 .  22 LYS HD2  H   1.11 0.02 4 
        17 .  22 LYS C    C 175.2  0.1  1 
        18 .  22 LYS CA   C  55.4  0.1  1 
        19 .  22 LYS CB   C  34.9  0.1  1 
        20 .  22 LYS N    N 123.7  0.05 1 
        21 .  23 ILE H    H   9.09 0.02 1 
        22 .  23 ILE HA   H   5.03 0.02 1 
        23 .  23 ILE HB   H   1.38 0.02 1 
        24 .  23 ILE HG12 H   0.65 0.02 2 
        25 .  23 ILE HG13 H   1.24 0.02 2 
        26 .  23 ILE HG2  H   0.41 0.02 1 
        27 .  23 ILE HD1  H   0.40 0.02 1 
        28 .  23 ILE C    C 174.1  0.1  1 
        29 .  23 ILE CA   C  59.1  0.1  1 
        30 .  23 ILE CB   C  42.4  0.1  1 
        31 .  23 ILE CG1  C  27.8  0.1  1 
        32 .  23 ILE CG2  C  17.9  0.1  1 
        33 .  23 ILE CD1  C  15.4  0.1  1 
        34 .  23 ILE N    N 124.4  0.05 1 
        35 .  24 ALA H    H   8.63 0.02 1 
        36 .  24 ALA HA   H   5.97 0.02 1 
        37 .  24 ALA HB   H   1.38 0.02 1 
        38 .  24 ALA CA   C  49.4  0.1  1 
        39 .  24 ALA CB   C  23.5  0.1  1 
        40 .  24 ALA N    N 125.1  0.05 1 
        41 .  25 ILE H    H   9.58 0.02 1 
        42 .  25 ILE HA   H   5.20 0.02 1 
        43 .  25 ILE HB   H   1.76 0.02 1 
        44 .  25 ILE HG12 H   1.00 0.02 2 
        45 .  25 ILE HG13 H   1.53 0.02 2 
        46 .  25 ILE HG2  H   1.04 0.02 1 
        47 .  25 ILE HD1  H   0.84 0.02 1 
        48 .  25 ILE C    C 175.3  0.1  1 
        49 .  25 ILE CA   C  60.5  0.1  1 
        50 .  25 ILE CB   C  41.3  0.1  1 
        51 .  25 ILE CG1  C  29.8  0.1  1 
        52 .  25 ILE CG2  C  20.8  0.1  1 
        53 .  25 ILE CD1  C  16.7  0.1  1 
        54 .  25 ILE N    N 121.2  0.05 1 
        55 .  26 ALA H    H   7.94 0.02 1 
        56 .  26 ALA HA   H   3.50 0.02 1 
        57 .  26 ALA HB   H   1.46 0.02 1 
        58 .  26 ALA C    C 176.8  0.1  1 
        59 .  26 ALA CA   C  53.0  0.1  1 
        60 .  26 ALA CB   C  19.5  0.1  1 
        61 .  26 ALA N    N 131.2  0.05 1 
        62 .  27 SER H    H   8.72 0.02 1 
        63 .  27 SER HA   H   4.86 0.02 1 
        64 .  27 SER HB2  H   3.42 0.02 2 
        65 .  27 SER HB3  H   3.51 0.02 2 
        66 .  27 SER C    C 173.2  0.1  1 
        67 .  27 SER CA   C  56.8  0.1  1 
        68 .  27 SER CB   C  65.0  0.1  1 
        69 .  27 SER N    N 117.7  0.05 1 
        70 .  28 SER H    H   8.24 0.02 1 
        71 .  28 SER HA   H   4.62 0.02 1 
        72 .  28 SER HB2  H   3.90 0.02 2 
        73 .  28 SER HB3  H   4.06 0.02 2 
        74 .  28 SER C    C 174.9  0.1  1 
        75 .  28 SER CA   C  58.8  0.1  1 
        76 .  28 SER CB   C  64.0  0.1  1 
        77 .  28 SER N    N 118.8  0.05 1 
        78 .  29 GLY H    H   8.40 0.02 1 
        79 .  29 GLY HA2  H   4.41 0.02 2 
        80 .  29 GLY C    C 173.2  0.1  1 
        81 .  29 GLY CA   C  45.5  0.1  1 
        82 .  29 GLY N    N 110.5  0.05 1 
        83 .  30 THR H    H   7.90 0.02 1 
        84 .  30 THR HA   H   3.87 0.02 1 
        85 .  30 THR HB   H   4.35 0.02 1 
        86 .  30 THR HG2  H   0.27 0.02 1 
        87 .  30 THR CA   C  60.9  0.1  1 
        88 .  30 THR CB   C  68.8  0.1  1 
        89 .  30 THR CG2  C  20.1  0.1  1 
        90 .  30 THR N    N 105.8  0.05 1 
        91 .  31 ASP H    H   7.89 0.02 1 
        92 .  31 ASP HA   H   4.93 0.02 1 
        93 .  31 ASP HB2  H   2.64 0.02 2 
        94 .  31 ASP HB3  H   2.68 0.02 2 
        95 .  31 ASP C    C 177.0  0.1  1 
        96 .  31 ASP CA   C  52.8  0.1  1 
        97 .  31 ASP CB   C  44.5  0.1  1 
        98 .  31 ASP CG   C 177.0  0.1  1 
        99 .  31 ASP N    N 119.2  0.05 1 
       100 .  32 LEU H    H   8.69 0.02 1 
       101 .  32 LEU HA   H   4.97 0.02 1 
       102 .  32 LEU C    C 176.6  0.1  1 
       103 .  32 LEU CA   C  57.9  0.1  1 
       104 .  32 LEU CB   C  41.7  0.1  1 
       105 .  32 LEU N    N 122.8  0.05 1 
       106 .  33 GLY H    H   8.40 0.02 1 
       107 .  33 GLY HA2  H   3.61 0.02 2 
       108 .  33 GLY HA3  H   4.23 0.02 2 
       109 .  33 GLY C    C 174.9  0.1  1 
       110 .  33 GLY CA   C  44.7  0.1  1 
       111 .  33 GLY N    N 103.9  0.05 1 
       112 .  34 SER H    H   7.48 0.02 1 
       113 .  34 SER HA   H   4.25 0.02 1 
       114 .  34 SER HB2  H   3.73 0.02 2 
       115 .  34 SER C    C 172.4  0.1  1 
       116 .  34 SER CA   C  59.8  0.1  1 
       117 .  34 SER CB   C  64.2  0.1  1 
       118 .  34 SER N    N 117.6  0.05 1 
       119 .  35 GLU H    H   8.58 0.02 1 
       120 .  35 GLU HA   H   4.32 0.02 1 
       121 .  35 GLU HB2  H   1.92 0.02 2 
       122 .  35 GLU HG2  H   2.38 0.02 2 
       123 .  35 GLU C    C 177.9  0.1  1 
       124 .  35 GLU CA   C  56.9  0.1  1 
       125 .  35 GLU CB   C  30.2  0.1  1 
       126 .  35 GLU CG   C  36.7  0.1  1 
       127 .  35 GLU N    N 122.3  0.05 1 
       128 .  36 VAL H    H   8.23 0.02 1 
       129 .  36 VAL HA   H   4.33 0.02 1 
       130 .  36 VAL C    C 175.8  0.1  1 
       131 .  36 VAL CA   C  62.6  0.1  1 
       132 .  36 VAL CB   C  32.1  0.1  1 
       133 .  36 VAL N    N 121.2  0.05 1 
       134 .  37 SER H    H   7.19 0.02 1 
       135 .  37 SER HA   H   4.25 0.02 1 
       136 .  37 SER C    C 175.8  0.1  1 
       137 .  37 SER CA   C  57.6  0.1  1 
       138 .  37 SER CB   C  64.1  0.1  1 
       139 .  37 SER N    N 116.1  0.05 1 
       140 .  38 ARG H    H   8.42 0.02 1 
       141 .  38 ARG HA   H   4.19 0.02 1 
       142 .  38 ARG HG2  H   1.29 0.02 2 
       143 .  38 ARG HD2  H   2.99 0.02 2 
       144 .  38 ARG C    C 175.3  0.1  1 
       145 .  38 ARG CA   C  56.9  0.1  1 
       146 .  38 ARG CB   C  29.5  0.1  1 
       147 .  38 ARG CG   C  27.1  0.1  1 
       148 .  38 ARG CD   C  43.2  0.1  1 
       149 .  38 ARG N    N 126.2  0.05 1 
       150 .  39 PHE H    H   8.05 0.02 1 
       151 .  39 PHE HA   H   4.93 0.02 1 
       152 .  39 PHE C    C 174.7  0.1  1 
       153 .  39 PHE CA   C  55.7  0.1  1 
       154 .  39 PHE CB   C  42.7  0.1  1 
       155 .  39 PHE N    N 117.9  0.05 1 
       156 .  40 PHE H    H   8.89 0.02 1 
       157 .  40 PHE HA   H   4.78 0.02 1 
       158 .  40 PHE HD1  H   7.45 0.02 2 
       159 .  40 PHE HE1  H   7.29 0.02 2 
       160 .  40 PHE HZ   H   6.78 0.02 1 
       161 .  40 PHE C    C 174.9  0.1  1 
       162 .  40 PHE CA   C  60.4  0.1  1 
       163 .  40 PHE CB   C  39.3  0.1  1 
       164 .  40 PHE CD1  C 132.0  0.1  2 
       165 .  40 PHE CE1  C 130.9  0.1  2 
       166 .  40 PHE CZ   C 128.6  0.1  1 
       167 .  40 PHE N    N 120.9  0.05 1 
       168 .  41 GLY H    H   8.87 0.02 1 
       169 .  41 GLY HA2  H   3.69 0.02 2 
       170 .  41 GLY HA3  H   3.76 0.02 2 
       171 .  41 GLY C    C 174.0  0.1  1 
       172 .  41 GLY CA   C  46.6  0.1  1 
       173 .  41 GLY N    N 108.9  0.05 1 
       174 .  42 ARG H    H   7.32 0.02 1 
       175 .  42 ARG HA   H   4.27 0.02 1 
       176 .  42 ARG C    C 175.6  0.1  1 
       177 .  42 ARG CA   C  54.3  0.1  1 
       178 .  42 ARG CB   C  29.5  0.1  1 
       179 .  42 ARG N    N 111.9  0.05 1 
       180 .  43 ALA H    H   7.20 0.02 1 
       181 .  43 ALA HA   H   4.34 0.02 1 
       182 .  43 ALA HB   H   1.12 0.02 1 
       183 .  43 ALA C    C 176.8  0.1  1 
       184 .  43 ALA CA   C  51.1  0.1  1 
       185 .  43 ALA CB   C  17.7  0.1  1 
       186 .  43 ALA N    N 125.7  0.05 1 
       187 .  44 PRO HA   H   4.08 0.02 1 
       188 .  44 PRO HB2  H   1.47 0.02 2 
       189 .  44 PRO HB3  H   2.00 0.02 2 
       190 .  44 PRO HG2  H   2.18 0.02 2 
       191 .  44 PRO HG3  H   2.47 0.02 2 
       192 .  44 PRO HD2  H   3.88 0.02 2 
       193 .  44 PRO HD3  H   3.92 0.02 2 
       194 .  44 PRO C    C 176.5  0.1  1 
       195 .  44 PRO CA   C  64.5  0.1  1 
       196 .  44 PRO CB   C  31.8  0.1  1 
       197 .  44 PRO CG   C  27.6  0.1  1 
       198 .  44 PRO CD   C  50.4  0.1  1 
       199 .  45 TYR H    H   7.42 0.02 1 
       200 .  45 TYR HA   H   5.31 0.02 1 
       201 .  45 TYR HB2  H   2.44 0.02 2 
       202 .  45 TYR HB3  H   2.76 0.02 2 
       203 .  45 TYR HD1  H   6.69 0.02 2 
       204 .  45 TYR HE1  H   6.67 0.02 2 
       205 .  45 TYR C    C 174.2  0.1  1 
       206 .  45 TYR CA   C  55.6  0.1  1 
       207 .  45 TYR CB   C  43.2  0.1  1 
       208 .  45 TYR CD1  C 133.4  0.1  2 
       209 .  45 TYR CE1  C 117.5  0.1  2 
       210 .  45 TYR N    N 113.6  0.05 1 
       211 .  46 PHE H    H   8.92 0.02 1 
       212 .  46 PHE HA   H   5.06 0.02 1 
       213 .  46 PHE HB2  H   2.46 0.02 2 
       214 .  46 PHE HB3  H   2.63 0.02 2 
       215 .  46 PHE HD1  H   6.73 0.02 2 
       216 .  46 PHE HE1  H   6.94 0.02 2 
       217 .  46 PHE C    C 175.1  0.1  1 
       218 .  46 PHE CA   C  57.4  0.1  1 
       219 .  46 PHE CB   C  42.1  0.1  1 
       220 .  46 PHE CD1  C 130.2  0.1  2 
       221 .  46 PHE N    N 115.0  0.05 1 
       222 .  47 MET H    H   8.90 0.02 1 
       223 .  47 MET HA   H   5.10 0.02 1 
       224 .  47 MET HB2  H   2.30 0.02 2 
       225 .  47 MET HB3  H   2.03 0.02 2 
       226 .  47 MET HG2  H   1.95 0.02 2 
       227 .  47 MET HE   H   1.73 0.02 1 
       228 .  47 MET C    C 175.0  0.1  1 
       229 .  47 MET CA   C  54.0  0.1  1 
       230 .  47 MET CB   C  32.4  0.1  1 
       231 .  47 MET CG   C  33.7  0.1  1 
       232 .  47 MET CE   C  16.4  0.1  1 
       233 .  47 MET N    N 122.3  0.05 1 
       234 .  48 ILE H    H   9.59 0.02 1 
       235 .  48 ILE HA   H   5.13 0.02 1 
       236 .  48 ILE HB   H   2.11 0.02 1 
       237 .  48 ILE HG12 H   1.26 0.02 2 
       238 .  48 ILE HG13 H   1.45 0.02 2 
       239 .  48 ILE HG2  H   0.77 0.02 1 
       240 .  48 ILE HD1  H   0.66 0.02 1 
       241 .  48 ILE C    C 176.3  0.1  1 
       242 .  48 ILE CA   C  59.1  0.1  1 
       243 .  48 ILE CB   C  36.8  0.1  1 
       244 .  48 ILE CG1  C  26.7  0.1  1 
       245 .  48 ILE CG2  C  17.5  0.1  1 
       246 .  48 ILE CD1  C  11.5  0.1  1 
       247 .  48 ILE N    N 128.7  0.05 1 
       248 .  49 VAL H    H   9.30 0.02 1 
       249 .  49 VAL HA   H   4.93 0.02 1 
       250 .  49 VAL HB   H   1.96 0.02 1 
       251 .  49 VAL HG1  H   0.80 0.02 2 
       252 .  49 VAL HG2  H   0.90 0.02 2 
       253 .  49 VAL C    C 174.3  0.1  1 
       254 .  49 VAL CA   C  59.6  0.1  1 
       255 .  49 VAL CB   C  35.0  0.1  1 
       256 .  49 VAL CG1  C  20.9  0.1  2 
       257 .  49 VAL CG2  C  22.0  0.1  2 
       258 .  49 VAL N    N 125.4  0.05 1 
       259 .  50 GLU H    H   8.41 0.02 1 
       260 .  50 GLU HA   H   4.98 0.02 1 
       261 .  50 GLU HB2  H   1.84 0.02 2 
       262 .  50 GLU HG2  H   2.00 0.02 2 
       263 .  50 GLU HG3  H   2.15 0.02 2 
       264 .  50 GLU C    C 174.9  0.1  1 
       265 .  50 GLU CA   C  55.1  0.1  1 
       266 .  50 GLU CB   C  31.6  0.1  1 
       267 .  50 GLU CG   C  36.5  0.1  1 
       268 .  50 GLU N    N 125.4  0.05 1 
       269 .  51 MET H    H   9.03 0.02 1 
       270 .  51 MET HA   H   5.42 0.02 1 
       271 .  51 MET HB2  H   2.05 0.02 2 
       272 .  51 MET HG2  H   2.27 0.02 2 
       273 .  51 MET HG3  H   2.34 0.02 2 
       274 .  51 MET HE   H   1.82 0.02 1 
       275 .  51 MET C    C 175.4  0.1  1 
       276 .  51 MET CA   C  53.7  0.1  1 
       277 .  51 MET CB   C  35.4  0.1  1 
       278 .  51 MET CG   C  32.3  0.1  1 
       279 .  51 MET CE   C  16.4  0.1  1 
       280 .  51 MET N    N 125.1  0.05 1 
       281 .  52 LYS H    H   8.83 0.02 1 
       282 .  52 LYS HA   H   4.63 0.02 1 
       283 .  52 LYS HB2  H   1.49 0.02 4 
       284 .  52 LYS HB3  H   1.75 0.02 4 
       285 .  52 LYS HG2  H   1.20 0.02 4 
       286 .  52 LYS HE2  H   2.76 0.02 2 
       287 .  52 LYS C    C 176.0  0.1  1 
       288 .  52 LYS CA   C  56.2  0.1  1 
       289 .  52 LYS CB   C  35.4  0.1  1 
       290 .  52 LYS CG   C  25.5  0.1  1 
       291 .  52 LYS CD   C  29.3  0.1  1 
       292 .  52 LYS CE   C  42.0  0.1  1 
       293 .  52 LYS N    N 122.3  0.05 1 
       294 .  53 LYS H    H   9.26 0.02 1 
       295 .  53 LYS HA   H   3.89 0.02 1 
       296 .  53 LYS HB2  H   1.81 0.02 2 
       297 .  53 LYS HB3  H   2.03 0.02 2 
       298 .  53 LYS HG2  H   1.42 0.02 2 
       299 .  53 LYS HG3  H   1.70 0.02 2 
       300 .  53 LYS HE2  H   2.98 0.02 2 
       301 .  53 LYS C    C 175.9  0.1  1 
       302 .  53 LYS CA   C  57.5  0.1  1 
       303 .  53 LYS CB   C  30.5  0.1  1 
       304 .  53 LYS CG   C  25.5  0.1  1 
       305 .  53 LYS CD   C  29.4  0.1  1 
       306 .  53 LYS CE   C  42.3  0.1  1 
       307 .  53 LYS N    N 127.4  0.05 1 
       308 .  54 GLY H    H   8.77 0.02 1 
       309 .  54 GLY HA2  H   3.60 0.02 2 
       310 .  54 GLY HA3  H   4.09 0.02 2 
       311 .  54 GLY C    C 173.0  0.1  1 
       312 .  54 GLY CA   C  45.6  0.1  1 
       313 .  54 GLY N    N 104.6  0.05 1 
       314 .  55 ASN H    H   7.97 0.02 1 
       315 .  55 ASN HA   H   5.00 0.02 1 
       316 .  55 ASN HB2  H   2.75 0.02 2 
       317 .  55 ASN C    C 174.4  0.1  1 
       318 .  55 ASN CA   C  51.7  0.1  1 
       319 .  55 ASN CB   C  41.2  0.1  1 
       320 .  55 ASN N    N 118.5  0.05 1 
       321 .  56 ILE H    H   8.74 0.02 1 
       322 .  56 ILE HA   H   4.11 0.02 1 
       323 .  56 ILE HG2  H   0.80 0.02 1 
       324 .  56 ILE HD1  H   0.87 0.02 1 
       325 .  56 ILE C    C 175.9  0.1  1 
       326 .  56 ILE CA   C  62.8  0.1  1 
       327 .  56 ILE CB   C  37.9  0.1  1 
       328 .  56 ILE CG2  C  17.6  0.1  1 
       329 .  56 ILE CD1  C  14.1  0.1  1 
       330 .  56 ILE N    N 123.4  0.05 1 
       331 .  57 GLU H    H   9.25 0.02 1 
       332 .  57 GLU HA   H   4.40 0.02 1 
       333 .  57 GLU HB2  H   1.76 0.02 2 
       334 .  57 GLU HB3  H   1.99 0.02 2 
       335 .  57 GLU HG2  H   2.16 0.02 2 
       336 .  57 GLU C    C 176.5  0.1  1 
       337 .  57 GLU CA   C  57.2  0.1  1 
       338 .  57 GLU CB   C  31.4  0.1  1 
       339 .  57 GLU CG   C  36.2  0.1  1 
       340 .  57 GLU N    N 130.5  0.05 1 
       341 .  58 SER H    H   7.71 0.02 1 
       342 .  58 SER HA   H   4.63 0.02 1 
       343 .  58 SER C    C 172.2  0.1  1 
       344 .  58 SER CA   C  57.7  0.1  1 
       345 .  58 SER CB   C  64.9  0.1  1 
       346 .  58 SER N    N 110.9  0.05 1 
       347 .  59 SER H    H   8.43 0.02 1 
       348 .  59 SER HA   H   5.37 0.02 1 
       349 .  59 SER HB2  H   3.73 0.02 2 
       350 .  59 SER HB3  H   3.82 0.02 2 
       351 .  59 SER C    C 172.6  0.1  1 
       352 .  59 SER CA   C  57.5  0.1  1 
       353 .  59 SER CB   C  66.0  0.1  1 
       354 .  59 SER N    N 114.6  0.05 1 
       355 .  60 GLU H    H   8.86 0.02 1 
       356 .  60 GLU HA   H   4.70 0.02 1 
       357 .  60 GLU HB2  H   2.00 0.02 2 
       358 .  60 GLU HG2  H   2.25 0.02 2 
       359 .  60 GLU C    C 173.4  0.1  1 
       360 .  60 GLU CA   C  55.1  0.1  1 
       361 .  60 GLU CB   C  33.3  0.1  1 
       362 .  60 GLU CG   C  35.6  0.1  1 
       363 .  60 GLU N    N 122.0  0.05 1 
       364 .  61 VAL H    H   8.68 0.02 1 
       365 .  61 VAL HA   H   4.96 0.02 1 
       366 .  61 VAL HB   H   1.93 0.02 1 
       367 .  61 VAL HG1  H   0.80 0.02 2 
       368 .  61 VAL HG2  H   0.90 0.02 2 
       369 .  61 VAL C    C 175.9  0.1  1 
       370 .  61 VAL CA   C  61.0  0.1  1 
       371 .  61 VAL CB   C  33.5  0.1  1 
       372 .  61 VAL CG1  C  21.6  0.1  2 
       373 .  61 VAL CG2  C  22.6  0.1  2 
       374 .  61 VAL N    N 122.8  0.05 1 
       375 .  62 ILE H    H   9.08 0.02 1 
       376 .  62 ILE HA   H   4.82 0.02 1 
       377 .  62 ILE HB   H   2.03 0.02 1 
       378 .  62 ILE HG12 H   1.23 0.02 2 
       379 .  62 ILE HG13 H   1.58 0.02 2 
       380 .  62 ILE HG2  H   0.91 0.02 1 
       381 .  62 ILE HD1  H   0.72 0.02 1 
       382 .  62 ILE C    C 175.5  0.1  1 
       383 .  62 ILE CA   C  59.1  0.1  1 
       384 .  62 ILE CB   C  40.7  0.1  1 
       385 .  62 ILE CG1  C  26.8  0.1  1 
       386 .  62 ILE CG2  C  17.5  0.1  1 
       387 .  62 ILE CD1  C  13.4  0.1  1 
       388 .  62 ILE N    N 123.3  0.05 1 
       389 .  63 GLU H    H   8.77 0.02 1 
       390 .  63 GLU HA   H   4.47 0.02 1 
       391 .  63 GLU HB2  H   1.96 0.02 1 
       392 .  63 GLU HB3  H   1.96 0.02 1 
       393 .  63 GLU HG2  H   2.15 0.02 2 
       394 .  63 GLU HG3  H   2.28 0.02 2 
       395 .  63 GLU C    C 175.4  0.1  1 
       396 .  63 GLU CA   C  56.0  0.1  1 
       397 .  63 GLU CB   C  30.7  0.1  1 
       398 .  63 GLU CG   C  36.7  0.1  1 
       399 .  63 GLU N    N 124.1  0.05 1 
       400 .  64 ASN H    H   7.78 0.02 1 
       401 .  64 ASN HA   H   5.01 0.02 1 
       402 .  64 ASN HB2  H   2.22 0.02 2 
       403 .  64 ASN HB3  H   3.37 0.02 2 
       404 .  64 ASN HD21 H   6.67 0.02 2 
       405 .  64 ASN HD22 H   8.44 0.02 2 
       406 .  64 ASN CA   C  49.5  0.1  1 
       407 .  64 ASN CB   C  39.1  0.1  1 
       408 .  64 ASN N    N 121.1  0.05 1 
       409 .  64 ASN ND2  N 112.6  0.05 1 
       410 .  65 PRO HA   H   4.44 0.02 1 
       411 .  65 PRO HB2  H   1.96 0.02 2 
       412 .  65 PRO HB3  H   2.29 0.02 2 
       413 .  65 PRO HG2  H   1.95 0.02 2 
       414 .  65 PRO HG3  H   2.02 0.02 2 
       415 .  65 PRO HD2  H   3.91 0.02 2 
       416 .  65 PRO HD3  H   4.01 0.02 2 
       417 .  65 PRO CA   C  63.8  0.1  1 
       418 .  65 PRO CB   C  32.0  0.1  1 
       419 .  66 SER H    H   7.66 0.02 1 
       420 .  66 SER HA   H   4.30 0.02 1 
       421 .  66 SER HB2  H   3.80 0.02 2 
       422 .  66 SER HB3  H   3.88 0.02 2 
       423 .  66 SER CA   C  58.6  0.1  1 
       424 .  66 SER CB   C  63.1  0.1  1 
       425 .  66 SER N    N 113.7  0.05 1 
       426 .  67 ALA H    H   7.45 0.02 1 
       427 .  67 ALA HA   H   4.13 0.02 1 
       428 .  67 ALA HB   H   1.24 0.02 1 
       429 .  67 ALA C    C 177.9  0.1  1 
       430 .  67 ALA CA   C  54.2  0.1  1 
       431 .  67 ALA CB   C  18.6  0.1  1 
       432 .  67 ALA N    N 122.8  0.05 1 
       433 .  68 SER H    H   7.78 0.02 1 
       434 .  68 SER HA   H   4.44 0.02 1 
       435 .  68 SER CA   C  57.8  0.1  1 
       436 .  68 SER CB   C  63.7  0.1  1 
       437 .  68 SER N    N 111.3  0.05 1 
       438 .  69 ALA H    H   7.81 0.02 1 
       439 .  69 ALA HA   H   4.38 0.02 1 
       440 .  69 ALA HB   H   1.40 0.02 1 
       441 .  69 ALA C    C 177.8  0.1  1 
       442 .  69 ALA CA   C  52.3  0.1  1 
       443 .  69 ALA CB   C  19.2  0.1  1 
       444 .  69 ALA N    N 125.1  0.05 1 
       445 .  70 SER H    H   8.46 0.02 1 
       446 .  70 SER CA   C  59.0  0.1  1 
       447 .  70 SER CB   C  63.3  0.1  1 
       448 .  70 SER N    N 115.8  0.05 1 
       449 .  71 GLY H    H   8.24 0.02 1 
       450 .  71 GLY CA   C  45.5  0.1  1 
       451 .  71 GLY N    N 110.4  0.05 1 
       452 .  72 GLY H    H   8.49 0.02 1 
       453 .  72 GLY C    C 175.0  0.1  1 
       454 .  72 GLY CA   C  45.9  0.1  1 
       455 .  72 GLY N    N 109.2  0.05 1 
       456 .  73 ALA H    H   8.32 0.02 1 
       457 .  73 ALA HA   H   4.19 0.02 1 
       458 .  73 ALA HB   H   1.40 0.02 1 
       459 .  73 ALA C    C 179.5  0.1  1 
       460 .  73 ALA CA   C  54.7  0.1  1 
       461 .  73 ALA CB   C  18.9  0.1  1 
       462 .  73 ALA N    N 123.7  0.05 1 
       463 .  74 GLY H    H   8.81 0.02 1 
       464 .  74 GLY HA2  H   3.85 0.02 2 
       465 .  74 GLY HA3  H   4.32 0.02 2 
       466 .  74 GLY C    C 175.2  0.1  1 
       467 .  74 GLY CA   C  47.9  0.1  1 
       468 .  74 GLY N    N 108.4  0.05 1 
       469 .  75 ILE H    H   7.94 0.02 1 
       470 .  75 ILE HA   H   3.71 0.02 1 
       471 .  75 ILE HB   H   1.73 0.02 1 
       472 .  75 ILE HG12 H   1.00 0.02 2 
       473 .  75 ILE HG13 H   1.60 0.02 2 
       474 .  75 ILE HG2  H   0.91 0.02 1 
       475 .  75 ILE HD1  H   0.79 0.02 1 
       476 .  75 ILE C    C 177.4  0.1  1 
       477 .  75 ILE CA   C  65.4  0.1  1 
       478 .  75 ILE CB   C  38.0  0.1  1 
       479 .  75 ILE CG1  C  27.3  0.1  2 
       480 .  75 ILE CG2  C  17.5  0.1  2 
       481 .  75 ILE CD1  C  13.0  0.1  1 
       482 .  75 ILE N    N 121.2  0.05 1 
       483 .  76 ARG H    H   7.91 0.02 1 
       484 .  76 ARG HA   H   4.12 0.02 1 
       485 .  76 ARG HB2  H   1.89 0.02 4 
       486 .  76 ARG HB3  H   1.74 0.02 4 
       487 .  76 ARG HG2  H   1.66 0.02 4 
       488 .  76 ARG HD2  H   3.19 0.02 2 
       489 .  76 ARG C    C 179.1  0.1  1 
       490 .  76 ARG CA   C  58.9  0.1  1 
       491 .  76 ARG CB   C  29.5  0.1  1 
       492 .  76 ARG N    N 120.1  0.05 1 
       493 .  77 THR H    H   8.16 0.02 1 
       494 .  77 THR HA   H   3.57 0.02 1 
       495 .  77 THR HB   H   3.92 0.02 1 
       496 .  77 THR HG2  H   0.54 0.02 1 
       497 .  77 THR C    C 175.5  0.1  1 
       498 .  77 THR CA   C  67.3  0.1  1 
       499 .  77 THR CB   C  68.0  0.1  1 
       500 .  77 THR CG2  C  22.6  0.1  1 
       501 .  77 THR N    N 117.0  0.05 1 
       502 .  78 ALA H    H   8.24 0.02 1 
       503 .  78 ALA HA   H   3.88 0.02 1 
       504 .  78 ALA HB   H   1.49 0.02 1 
       505 .  78 ALA C    C 178.1  0.1  1 
       506 .  78 ALA CA   C  56.1  0.1  1 
       507 .  78 ALA CB   C  18.4  0.1  1 
       508 .  78 ALA N    N 122.1  0.05 1 
       509 .  79 GLN H    H   7.85 0.02 1 
       510 .  79 GLN HA   H   3.85 0.02 1 
       511 .  79 GLN HB2  H   2.04 0.02 2 
       512 .  79 GLN HG2  H   2.33 0.02 2 
       513 .  79 GLN HG3  H   2.53 0.02 2 
       514 .  79 GLN C    C 178.4  0.1  1 
       515 .  79 GLN CA   C  58.8  0.1  1 
       516 .  79 GLN CB   C  28.1  0.1  1 
       517 .  79 GLN CG   C  33.9  0.1  1 
       518 .  79 GLN N    N 115.3  0.05 1 
       519 .  80 ILE H    H   7.92 0.02 1 
       520 .  80 ILE HA   H   3.74 0.02 1 
       521 .  80 ILE HB   H   1.87 0.02 1 
       522 .  80 ILE HG12 H   1.19 0.02 2 
       523 .  80 ILE HG13 H   1.71 0.02 2 
       524 .  80 ILE HG2  H   0.80 0.02 1 
       525 .  80 ILE HD1  H   0.87 0.02 1 
       526 .  80 ILE C    C 179.2  0.1  1 
       527 .  80 ILE CA   C  65.2  0.1  1 
       528 .  80 ILE CB   C  37.9  0.1  1 
       529 .  80 ILE CG1  C  28.9  0.1  1 
       530 .  80 ILE CG2  C  17.1  0.1  1 
       531 .  80 ILE CD1  C  13.7  0.1  1 
       532 .  80 ILE N    N 120.1  0.05 1 
       533 .  81 ILE H    H   7.82 0.02 1 
       534 .  81 ILE HA   H   3.34 0.02 1 
       535 .  81 ILE HB   H   1.90 0.02 1 
       536 .  81 ILE HG12 H   0.85 0.02 2 
       537 .  81 ILE HG13 H   1.05 0.02 2 
       538 .  81 ILE HG2  H   0.51 0.02 1 
       539 .  81 ILE HD1  H   0.02 0.02 1 
       540 .  81 ILE C    C 178.3  0.1  1 
       541 .  81 ILE CA   C  64.9  0.1  1 
       542 .  81 ILE CB   C  36.6  0.1  1 
       543 .  81 ILE CG1  C  28.2  0.1  1 
       544 .  81 ILE CG2  C  17.9  0.1  1 
       545 .  81 ILE CD1  C  12.0  0.1  1 
       546 .  81 ILE N    N 120.4  0.05 1 
       547 .  82 ALA H    H   8.28 0.02 1 
       548 .  82 ALA HA   H   3.95 0.02 1 
       549 .  82 ALA HB   H   1.41 0.02 1 
       550 .  82 ALA C    C 181.4  0.1  1 
       551 .  82 ALA CA   C  55.4  0.1  1 
       552 .  82 ALA CB   C  18.6  0.1  1 
       553 .  82 ALA N    N 123.3  0.05 1 
       554 .  83 ASN H    H   8.49 0.02 1 
       555 .  83 ASN HA   H   4.56 0.02 1 
       556 .  83 ASN HB2  H   2.86 0.02 2 
       557 .  83 ASN HB3  H   2.97 0.02 2 
       558 .  83 ASN HD21 H   6.92 0.02 2 
       559 .  83 ASN HD22 H   7.52 0.02 2 
       560 .  83 ASN C    C 176.2  0.1  1 
       561 .  83 ASN CA   C  55.0  0.1  1 
       562 .  83 ASN CB   C  37.9  0.1  1 
       563 .  83 ASN N    N 117.7  0.05 1 
       564 .  83 ASN ND2  N 110.9  0.05 1 
       565 .  84 ASN H    H   7.54 0.02 1 
       566 .  84 ASN HA   H   4.68 0.02 1 
       567 .  84 ASN HB2  H   2.61 0.02 2 
       568 .  84 ASN HB3  H   2.78 0.02 2 
       569 .  84 ASN HD21 H   7.24 0.02 2 
       570 .  84 ASN HD22 H   7.48 0.02 2 
       571 .  84 ASN C    C 174.6  0.1  1 
       572 .  84 ASN CA   C  54.6  0.1  1 
       573 .  84 ASN CB   C  40.6  0.1  1 
       574 .  84 ASN N    N 116.9  0.05 1 
       575 .  84 ASN ND2  N 113.6  0.05 1 
       576 .  85 GLY H    H   8.03 0.02 1 
       577 .  85 GLY HA2  H   3.85 0.02 2 
       578 .  85 GLY HA3  H   3.96 0.02 2 
       579 .  85 GLY CA   C  46.7  0.1  1 
       580 .  85 GLY N    N 106.8  0.05 1 
       581 .  86 VAL H    H   6.56 0.02 1 
       582 .  86 VAL HA   H   3.66 0.02 1 
       583 .  86 VAL HB   H   1.94 0.02 1 
       584 .  86 VAL HG1  H   0.76 0.02 2 
       585 .  86 VAL HG2  H   0.90 0.02 2 
       586 .  86 VAL C    C 175.0  0.1  1 
       587 .  86 VAL CA   C  62.1  0.1  1 
       588 .  86 VAL CB   C  32.4  0.1  1 
       589 .  86 VAL CG1  C  22.3  0.1  2 
       590 .  86 VAL CG2  C  23.6  0.1  2 
       591 .  86 VAL N    N 115.8  0.05 1 
       592 .  87 LYS H    H   8.41 0.02 1 
       593 .  87 LYS HA   H   4.69 0.02 1 
       594 .  87 LYS HB2  H   1.92 0.02 2 
       595 .  87 LYS HB3  H   2.15 0.02 2 
       596 .  87 LYS HG2  H   1.59 0.02 4 
       597 .  87 LYS HG3  H   1.75 0.02 4 
       598 .  87 LYS HE2  H   3.12 0.02 2 
       599 .  87 LYS C    C 176.1  0.1  1 
       600 .  87 LYS CA   C  55.4  0.1  1 
       601 .  87 LYS CB   C  34.7  0.1  1 
       602 .  87 LYS CG   C  25.2  0.1  1 
       603 .  87 LYS CD   C  28.5  0.1  1 
       604 .  87 LYS CE   C  42.3  0.1  1 
       605 .  87 LYS N    N 120.9  0.05 1 
       606 .  88 ALA H    H   7.59 0.02 1 
       607 .  88 ALA HA   H   5.58 0.02 1 
       608 .  88 ALA HB   H   1.35 0.02 1 
       609 .  88 ALA C    C 174.3  0.1  1 
       610 .  88 ALA CA   C  50.9  0.1  1 
       611 .  88 ALA CB   C  22.4  0.1  1 
       612 .  88 ALA N    N 121.7  0.05 1 
       613 .  89 VAL H    H   9.21 0.02 1 
       614 .  89 VAL HA   H   5.34 0.02 1 
       615 .  89 VAL HB   H   1.84 0.02 1 
       616 .  89 VAL HG1  H   1.05 0.02 1 
       617 .  89 VAL HG2  H   0.94 0.02 1 
       618 .  89 VAL C    C 173.5  0.1  1 
       619 .  89 VAL CA   C  59.1  0.1  1 
       620 .  89 VAL CB   C  35.5  0.1  1 
       621 .  89 VAL CG1  C  21.6  0.1  1 
       622 .  89 VAL CG2  C  23.5  0.1  1 
       623 .  89 VAL N    N 120.9  0.05 1 
       624 .  90 ILE H    H   9.13 0.02 1 
       625 .  90 ILE HA   H   5.05 0.02 1 
       626 .  90 ILE HB   H   1.72 0.02 1 
       627 .  90 ILE HG12 H   0.73 0.02 2 
       628 .  90 ILE HG13 H   1.29 0.02 2 
       629 .  90 ILE HG2  H   0.84 0.02 1 
       630 .  90 ILE HD1  H   0.44 0.02 1 
       631 .  90 ILE C    C 174.4  0.1  1 
       632 .  90 ILE CA   C  60.6  0.1  1 
       633 .  90 ILE CB   C  39.4  0.1  1 
       634 .  90 ILE CG1  C  26.8  0.1  1 
       635 .  90 ILE CG2  C  17.5  0.1  1 
       636 .  90 ILE CD1  C  14.2  0.1  1 
       637 .  90 ILE N    N 127.2  0.05 1 
       638 .  91 ALA H    H   8.86 0.02 1 
       639 .  91 ALA HA   H   4.82 0.02 1 
       640 .  91 ALA HB   H   1.57 0.02 1 
       641 .  91 ALA C    C 175.7  0.1  1 
       642 .  91 ALA CA   C  51.5  0.1  1 
       643 .  91 ALA CB   C  22.5  0.1  1 
       644 .  91 ALA N    N 127.1  0.05 1 
       645 .  92 SER H    H   8.87 0.02 1 
       646 .  92 SER HA   H   4.57 0.02 1 
       647 .  92 SER HB2  H   3.78 0.02 2 
       648 .  92 SER C    C 173.6  0.1  1 
       649 .  92 SER CA   C  59.1  0.1  1 
       650 .  92 SER CB   C  63.8  0.1  1 
       651 .  92 SER N    N 115.0  0.05 1 
       652 .  93 SER H    H   8.27 0.02 1 
       653 .  93 SER HA   H   4.35 0.02 1 
       654 .  93 SER CA   C  57.0  0.1  1 
       655 .  93 SER CB   C  63.5  0.1  1 
       656 .  93 SER N    N 111.5  0.05 1 
       657 .  94 PRO HA   H   4.40 0.02 1 
       658 .  94 PRO HB2  H   1.86 0.02 2 
       659 .  94 PRO HB3  H   2.23 0.02 2 
       660 .  94 PRO HG2  H   1.17 0.02 2 
       661 .  94 PRO HG3  H   1.63 0.02 2 
       662 .  94 PRO HD2  H   3.60 0.02 2 
       663 .  94 PRO CA   C  62.9  0.1  1 
       664 .  94 PRO CB   C  32.0  0.1  1 
       665 .  94 PRO CG   C  27.3  0.1  1 
       666 .  94 PRO CD   C  50.4  0.1  1 
       667 .  95 GLY H    H   8.66 0.02 1 
       668 .  95 GLY HA2  H   4.23 0.02 2 
       669 .  95 GLY CA   C  44.7  0.1  1 
       670 .  95 GLY N    N 110.0  0.05 1 
       671 .  96 PRO HA   H   4.23 0.02 1 
       672 .  96 PRO HB2  H   2.00 0.02 2 
       673 .  96 PRO HB3  H   2.30 0.02 2 
       674 .  96 PRO CA   C  65.7  0.1  1 
       675 .  96 PRO CB   C  32.2  0.1  1 
       676 .  97 ASN H    H   8.42 0.02 1 
       677 .  97 ASN HA   H   4.58 0.02 1 
       678 .  97 ASN HD21 H   7.12 0.02 2 
       679 .  97 ASN HD22 H   7.77 0.02 2 
       680 .  97 ASN C    C 177.3  0.1  1 
       681 .  97 ASN CA   C  56.3  0.1  1 
       682 .  97 ASN CB   C  38.0  0.1  1 
       683 .  97 ASN N    N 116.5  0.05 1 
       684 .  97 ASN ND2  N 113.2  0.05 1 
       685 .  98 ALA H    H   8.18 0.02 1 
       686 .  98 ALA HA   H   3.85 0.02 1 
       687 .  98 ALA HB   H   1.32 0.02 1 
       688 .  98 ALA C    C 178.6  0.1  1 
       689 .  98 ALA CA   C  55.0  0.1  1 
       690 .  98 ALA CB   C  19.6  0.1  1 
       691 .  98 ALA N    N 123.0  0.05 1 
       692 .  99 PHE H    H   8.45 0.02 1 
       693 .  99 PHE HA   H   3.61 0.02 1 
       694 .  99 PHE HB2  H   2.88 0.02 2 
       695 .  99 PHE HB3  H   3.12 0.02 2 
       696 .  99 PHE HD1  H   6.93 0.02 2 
       697 .  99 PHE HE1  H   7.14 0.02 2 
       698 .  99 PHE HZ   H   6.77 0.02 1 
       699 .  99 PHE C    C 176.7  0.1  1 
       700 .  99 PHE CA   C  62.1  0.1  1 
       701 .  99 PHE CB   C  39.5  0.1  1 
       702 .  99 PHE CD1  C 131.5  0.1  2 
       703 .  99 PHE CE1  C 131.5  0.1  2 
       704 .  99 PHE CZ   C 128.6  0.1  1 
       705 .  99 PHE N    N 116.3  0.05 1 
       706 . 100 GLU H    H   7.89 0.02 1 
       707 . 100 GLU HA   H   3.96 0.02 1 
       708 . 100 GLU HB2  H   2.15 0.02 2 
       709 . 100 GLU HB3  H   2.22 0.02 2 
       710 . 100 GLU HG2  H   2.39 0.02 2 
       711 . 100 GLU HG3  H   2.46 0.02 2 
       712 . 100 GLU C    C 178.7  0.1  1 
       713 . 100 GLU CA   C  59.7  0.1  1 
       714 . 100 GLU CB   C  29.4  0.1  1 
       715 . 100 GLU CG   C  36.1  0.1  1 
       716 . 100 GLU N    N 117.2  0.05 1 
       717 . 101 VAL H    H   7.28 0.02 1 
       718 . 101 VAL HA   H   3.73 0.02 1 
       719 . 101 VAL HB   H   1.99 0.02 1 
       720 . 101 VAL HG1  H   0.84 0.02 1 
       721 . 101 VAL HG2  H   1.11 0.02 1 
       722 . 101 VAL C    C 177.8  0.1  1 
       723 . 101 VAL CA   C  65.9  0.1  1 
       724 . 101 VAL CB   C  31.8  0.1  1 
       725 . 101 VAL CG1  C  21.3  0.1  1 
       726 . 101 VAL CG2  C  22.8  0.1  1 
       727 . 101 VAL N    N 117.9  0.05 1 
       728 . 102 LEU H    H   7.62 0.02 1 
       729 . 102 LEU HA   H   3.83 0.02 1 
       730 . 102 LEU HD1  H   0.45 0.02 2 
       731 . 102 LEU HD2  H   0.73 0.02 2 
       732 . 102 LEU C    C 178.5  0.1  1 
       733 . 102 LEU CA   C  57.9  0.1  1 
       734 . 102 LEU CB   C  40.4  0.1  1 
       735 . 102 LEU CD1  C  25.8  0.1  2 
       736 . 102 LEU CD2  C  23.0  0.1  2 
       737 . 102 LEU N    N 117.2  0.05 1 
       738 . 103 ASN H    H   8.62 0.02 1 
       739 . 103 ASN HA   H   4.19 0.02 1 
       740 . 103 ASN HB2  H   2.20 0.02 2 
       741 . 103 ASN HB3  H   2.39 0.02 2 
       742 . 103 ASN HD21 H   6.77 0.02 2 
       743 . 103 ASN HD22 H   7.80 0.02 2 
       744 . 103 ASN C    C 179.4  0.1  1 
       745 . 103 ASN CA   C  57.1  0.1  1 
       746 . 103 ASN CB   C  39.6  0.1  1 
       747 . 103 ASN N    N 117.3  0.05 1 
       748 . 103 ASN ND2  N 113.2  0.05 1 
       749 . 104 GLU H    H   8.10 0.02 1 
       750 . 104 GLU HA   H   4.03 0.02 1 
       751 . 104 GLU HB2  H   2.12 0.02 2 
       752 . 104 GLU HB3  H   2.20 0.02 4 
       753 . 104 GLU HG2  H   2.39 0.02 2 
       754 . 104 GLU C    C 178.0  0.1  1 
       755 . 104 GLU CA   C  59.1  0.1  1 
       756 . 104 GLU CB   C  29.2  0.1  1 
       757 . 104 GLU CG   C  36.1  0.1  1 
       758 . 104 GLU N    N 120.7  0.05 1 
       759 . 105 LEU H    H   7.30 0.02 1 
       760 . 105 LEU HA   H   4.34 0.02 1 
       761 . 105 LEU HB2  H   1.72 0.02 2 
       762 . 105 LEU HB3  H   1.83 0.02 2 
       763 . 105 LEU HG   H   1.87 0.02 1 
       764 . 105 LEU HD1  H   0.79 0.02 2 
       765 . 105 LEU HD2  H   0.86 0.02 2 
       766 . 105 LEU C    C 177.2  0.1  1 
       767 . 105 LEU CA   C  54.6  0.1  1 
       768 . 105 LEU CB   C  42.7  0.1  1 
       769 . 105 LEU CG   C  26.7  0.1  1 
       770 . 105 LEU CD1  C  26.0  0.1  2 
       771 . 105 LEU CD2  C  22.0  0.1  2 
       772 . 105 LEU N    N 117.1  0.05 1 
       773 . 106 GLY H    H   7.82 0.02 1 
       774 . 106 GLY HA2  H   3.80 0.02 2 
       775 . 106 GLY HA3  H   3.98 0.02 2 
       776 . 106 GLY CA   C  46.1  0.1  1 
       777 . 106 GLY N    N 108.6  0.05 1 
       778 . 107 ILE H    H   7.87 0.02 1 
       779 . 107 ILE HA   H   3.91 0.02 1 
       780 . 107 ILE HB   H   1.59 0.02 1 
       781 . 107 ILE HG12 H   1.11 0.02 2 
       782 . 107 ILE HG13 H   1.51 0.02 2 
       783 . 107 ILE HG2  H   0.55 0.02 1 
       784 . 107 ILE HD1  H   0.77 0.02 1 
       785 . 107 ILE C    C 174.9  0.1  1 
       786 . 107 ILE CA   C  61.4  0.1  1 
       787 . 107 ILE CB   C  38.4  0.1  1 
       788 . 107 ILE CG1  C  27.7  0.1  2 
       789 . 107 ILE CG2  C  17.5  0.1  2 
       790 . 107 ILE CD1  C  14.5  0.1  1 
       791 . 107 ILE N    N 122.5  0.05 1 
       792 . 108 LYS H    H   7.34 0.02 1 
       793 . 108 LYS HA   H   4.23 0.02 1 
       794 . 108 LYS HG2  H   1.64 0.02 4 
       795 . 108 LYS HE2  H   3.02 0.02 2 
       796 . 108 LYS C    C 174.7  0.1  1 
       797 . 108 LYS CA   C  56.2  0.1  1 
       798 . 108 LYS CB   C  35.7  0.1  1 
       799 . 108 LYS CG   C  29.4  0.1  1 
       800 . 108 LYS CD   C  26.1  0.1  1 
       801 . 108 LYS CE   C  42.3  0.1  1 
       802 . 108 LYS N    N 126.8  0.05 1 
       803 . 109 ILE H    H   8.70 0.02 1 
       804 . 109 ILE HA   H   5.03 0.02 1 
       805 . 109 ILE HB   H   1.59 0.02 1 
       806 . 109 ILE HG12 H   0.63 0.02 2 
       807 . 109 ILE HG13 H   1.40 0.02 2 
       808 . 109 ILE HG2  H   0.75 0.02 1 
       809 . 109 ILE HD1  H   0.54 0.02 1 
       810 . 109 ILE C    C 173.5  0.1  1 
       811 . 109 ILE CA   C  59.1  0.1  1 
       812 . 109 ILE CB   C  40.2  0.1  1 
       813 . 109 ILE CG1  C  28.2  0.1  1 
       814 . 109 ILE CG2  C  18.7  0.1  1 
       815 . 109 ILE CD1  C  15.8  0.1  1 
       816 . 109 ILE N    N 121.4  0.05 1 
       817 . 110 TYR H    H   9.39 0.02 1 
       818 . 110 TYR HA   H   5.05 0.02 1 
       819 . 110 TYR HB2  H   2.66 0.02 1 
       820 . 110 TYR HB3  H   2.82 0.02 2 
       821 . 110 TYR HD1  H   6.88 0.02 2 
       822 . 110 TYR HE1  H   6.80 0.02 2 
       823 . 110 TYR C    C 174.4  0.1  1 
       824 . 110 TYR CA   C  56.8  0.1  1 
       825 . 110 TYR CB   C  41.8  0.1  1 
       826 . 110 TYR CD1  C 132.9  0.1  2 
       827 . 110 TYR CE1  C 118.5  0.1  2 
       828 . 110 TYR N    N 125.4  0.05 1 
       829 . 111 ARG H    H   8.64 0.02 1 
       830 . 111 ARG HA   H   4.60 0.02 1 
       831 . 111 ARG HB2  H   1.66 0.02 4 
       832 . 111 ARG HB3  H   1.99 0.02 4 
       833 . 111 ARG C    C 175.8  0.1  1 
       834 . 111 ARG CA   C  56.0  0.1  1 
       835 . 111 ARG CB   C  30.6  0.1  1 
       836 . 111 ARG CG   C  27.5  0.1  1 
       837 . 111 ARG N    N 121.6  0.05 1 
       838 . 112 ALA H    H   7.87 0.02 1 
       839 . 112 ALA HA   H   4.21 0.02 1 
       840 . 112 ALA HB   H   1.19 0.02 1 
       841 . 112 ALA C    C 177.5  0.1  1 
       842 . 112 ALA CA   C  52.6  0.1  1 
       843 . 112 ALA CB   C  19.3  0.1  1 
       844 . 112 ALA N    N 129.9  0.05 1 
       845 . 113 THR H    H   7.98 0.02 1 
       846 . 113 THR HA   H   4.54 0.02 1 
       847 . 113 THR HB   H   4.22 0.02 1 
       848 . 113 THR HG2  H   1.19 0.02 1 
       849 . 113 THR CA   C  61.3  0.1  1 
       850 . 113 THR CB   C  70.2  0.1  1 
       851 . 113 THR CG2  C  21.6  0.1  1 
       852 . 113 THR N    N 112.9  0.05 1 
       853 . 114 GLY H    H   8.55 0.02 1 
       854 . 114 GLY HA2  H   3.31 0.02 2 
       855 . 114 GLY HA3  H   4.35 0.02 2 
       856 . 114 GLY CA   C  45.2  0.1  1 
       857 . 114 GLY N    N 109.9  0.05 1 
       858 . 115 THR H    H   8.70 0.02 1 
       859 . 115 THR HA   H   4.32 0.02 1 
       860 . 115 THR HB   H   4.37 0.02 1 
       861 . 115 THR HG2  H   1.22 0.02 1 
       862 . 115 THR C    C 174.4  0.1  1 
       863 . 115 THR CA   C  63.7  0.1  1 
       864 . 115 THR CB   C  68.8  0.1  1 
       865 . 115 THR CG2  C  21.3  0.1  1 
       866 . 115 THR N    N 118.2  0.05 1 
       867 . 116 SER H    H   7.98 0.02 1 
       868 . 116 SER HA   H   5.12 0.02 1 
       869 . 116 SER HB2  H   3.92 0.02 2 
       870 . 116 SER HB3  H   4.14 0.02 2 
       871 . 116 SER C    C 177.2  0.1  1 
       872 . 116 SER CA   C  56.6  0.1  1 
       873 . 116 SER CB   C  67.0  0.1  1 
       874 . 116 SER N    N 114.4  0.05 1 
       875 . 117 VAL H    H   8.91 0.02 1 
       876 . 117 VAL HA   H   3.42 0.02 1 
       877 . 117 VAL HB   H   2.50 0.02 1 
       878 . 117 VAL HG1  H   0.90 0.02 2 
       879 . 117 VAL HG2  H   1.00 0.02 2 
       880 . 117 VAL CA   C  68.3  0.1  1 
       881 . 117 VAL CB   C  31.0  0.1  1 
       882 . 117 VAL CG1  C  21.9  0.1  1 
       883 . 117 VAL CG2  C  21.9  0.1  1 
       884 . 117 VAL N    N 125.3  0.05 1 
       885 . 118 GLU H    H   8.66 0.02 1 
       886 . 118 GLU HA   H   3.85 0.02 1 
       887 . 118 GLU HB2  H   1.94 0.02 2 
       888 . 118 GLU HB3  H   2.10 0.02 2 
       889 . 118 GLU HG2  H   2.15 0.02 2 
       890 . 118 GLU HG3  H   2.27 0.02 2 
       891 . 118 GLU C    C 178.3  0.1  1 
       892 . 118 GLU CA   C  59.9  0.1  1 
       893 . 118 GLU CB   C  29.0  0.1  1 
       894 . 118 GLU CG   C  35.1  0.1  1 
       895 . 118 GLU N    N 117.8  0.05 1 
       896 . 119 GLU H    H   8.16 0.02 1 
       897 . 119 GLU HA   H   4.06 0.02 1 
       898 . 119 GLU HG2  H   2.21 0.02 2 
       899 . 119 GLU HG3  H   2.33 0.02 2 
       900 . 119 GLU CA   C  59.4  0.1  1 
       901 . 119 GLU CB   C  30.1  0.1  1 
       902 . 119 GLU CG   C  36.6  0.1  1 
       903 . 119 GLU N    N 120.6  0.05 1 
       904 . 120 ASN H    H   7.85 0.02 1 
       905 . 120 ASN HA   H   4.50 0.02 1 
       906 . 120 ASN HB2  H   2.44 0.02 2 
       907 . 120 ASN HB3  H   2.81 0.02 2 
       908 . 120 ASN HD21 H   6.84 0.02 2 
       909 . 120 ASN HD22 H   6.92 0.02 2 
       910 . 120 ASN C    C 174.0  0.1  1 
       911 . 120 ASN CA   C  58.1  0.1  1 
       912 . 120 ASN CB   C  40.3  0.1  1 
       913 . 120 ASN N    N 116.4  0.05 1 
       914 . 120 ASN ND2  N 114.0  0.05 1 
       915 . 121 LEU H    H   8.35 0.02 1 
       916 . 121 LEU HA   H   4.00 0.02 1 
       917 . 121 LEU HB2  H   1.75 0.02 2 
       918 . 121 LEU HG   H   1.66 0.02 1 
       919 . 121 LEU HD1  H   0.80 0.02 2 
       920 . 121 LEU HD2  H   0.87 0.02 2 
       921 . 121 LEU C    C 178.4  0.1  1 
       922 . 121 LEU CA   C  58.1  0.1  1 
       923 . 121 LEU CB   C  41.6  0.1  1 
       924 . 121 LEU CD1  C  24.2  0.1  2 
       925 . 121 LEU CD2  C  25.2  0.1  2 
       926 . 121 LEU N    N 121.0  0.05 1 
       927 . 122 LYS H    H   7.83 0.02 1 
       928 . 122 LYS HA   H   4.05 0.02 1 
       929 . 122 LYS HB2  H   1.99 0.02 2 
       930 . 122 LYS HG2  H   1.39 0.02 2 
       931 . 122 LYS HG3  H   1.52 0.02 2 
       932 . 122 LYS C    C 179.2  0.1  1 
       933 . 122 LYS CA   C  59.7  0.1  1 
       934 . 122 LYS CB   C  31.7  0.1  1 
       935 . 122 LYS CG   C  29.3  0.1  1 
       936 . 122 LYS CD   C  24.8  0.1  1 
       937 . 122 LYS CE   C  42.3  0.1  1 
       938 . 122 LYS N    N 121.2  0.05 1 
       939 . 123 LEU H    H   8.10 0.02 1 
       940 . 123 LEU HA   H   4.08 0.02 1 
       941 . 123 LEU C    C 179.6  0.1  1 
       942 . 123 LEU CA   C  58.1  0.1  1 
       943 . 123 LEU CB   C  42.8  0.1  1 
       944 . 123 LEU N    N 118.9  0.05 1 
       945 . 124 PHE H    H   8.62 0.02 1 
       946 . 124 PHE HA   H   4.02 0.02 1 
       947 . 124 PHE HB2  H   3.12 0.02 2 
       948 . 124 PHE HB3  H   3.27 0.02 2 
       949 . 124 PHE HD1  H   6.60 0.02 2 
       950 . 124 PHE HE1  H   6.53 0.02 2 
       951 . 124 PHE HZ   H   6.90 0.02 1 
       952 . 124 PHE C    C 179.6  0.1  1 
       953 . 124 PHE CA   C  61.2  0.1  1 
       954 . 124 PHE CB   C  39.1  0.1  1 
       955 . 124 PHE CD1  C 130.8  0.1  2 
       956 . 124 PHE CE1  C 131.6  0.1  2 
       957 . 124 PHE CZ   C 129.5  0.1  1 
       958 . 124 PHE N    N 119.9  0.05 1 
       959 . 125 THR H    H   8.42 0.02 1 
       960 . 125 THR HA   H   3.70 0.02 1 
       961 . 125 THR HB   H   4.36 0.02 1 
       962 . 125 THR HG2  H   1.37 0.02 1 
       963 . 125 THR C    C 175.7  0.1  1 
       964 . 125 THR CA   C  65.7  0.1  1 
       965 . 125 THR CB   C  68.8  0.1  1 
       966 . 125 THR CG2  C  22.4  0.1  1 
       967 . 125 THR N    N 115.8  0.05 1 
       968 . 126 GLU H    H   7.52 0.02 1 
       969 . 126 GLU HA   H   4.16 0.02 1 
       970 . 126 GLU HB2  H   2.09 0.02 2 
       971 . 126 GLU HG2  H   2.21 0.02 2 
       972 . 126 GLU HG3  H   2.45 0.02 2 
       973 . 126 GLU C    C 176.4  0.1  1 
       974 . 126 GLU CA   C  56.3  0.1  1 
       975 . 126 GLU CB   C  30.5  0.1  1 
       976 . 126 GLU CG   C  36.2  0.1  1 
       977 . 126 GLU N    N 118.5  0.05 1 
       978 . 127 GLY H    H   7.63 0.02 1 
       979 . 127 GLY HA2  H   3.73 0.02 2 
       980 . 127 GLY HA3  H   3.97 0.02 2 
       981 . 127 GLY CA   C  46.0  0.1  1 
       982 . 127 GLY N    N 107.1  0.05 1 
       983 . 128 ASN H    H   8.20 0.02 1 
       984 . 128 ASN HA   H   5.03 0.02 1 
       985 . 128 ASN HB2  H   2.46 0.02 2 
       986 . 128 ASN HB3  H   3.13 0.02 2 
       987 . 128 ASN HD21 H   6.93 0.02 2 
       988 . 128 ASN HD22 H   7.46 0.02 2 
       989 . 128 ASN C    C 175.1  0.1  1 
       990 . 128 ASN CA   C  53.1  0.1  1 
       991 . 128 ASN CB   C  40.6  0.1  1 
       992 . 128 ASN N    N 115.8  0.05 1 
       993 . 128 ASN ND2  N 113.2  0.05 1 
       994 . 129 LEU H    H   7.84 0.02 1 
       995 . 129 LEU HA   H   4.97 0.02 1 
       996 . 129 LEU HB2  H   1.66 0.02 2 
       997 . 129 LEU HB3  H   1.90 0.02 2 
       998 . 129 LEU HG   H   1.11 0.02 1 
       999 . 129 LEU HD1  H   0.85 0.02 2 
      1000 . 129 LEU HD2  H   1.24 0.02 2 
      1001 . 129 LEU C    C 176.5  0.1  1 
      1002 . 129 LEU CA   C  53.9  0.1  1 
      1003 . 129 LEU CB   C  43.8  0.1  1 
      1004 . 129 LEU CG   C  27.9  0.1  1 
      1005 . 129 LEU CD1  C  26.1  0.1  2 
      1006 . 129 LEU CD2  C  23.5  0.1  2 
      1007 . 129 LEU N    N 117.2  0.05 1 
      1008 . 130 GLU H    H   9.53 0.02 1 
      1009 . 130 GLU HA   H   4.43 0.02 1 
      1010 . 130 GLU HB2  H   2.02 0.02 2 
      1011 . 130 GLU HG2  H   2.31 0.02 2 
      1012 . 130 GLU C    C 175.6  0.1  1 
      1013 . 130 GLU CA   C  55.5  0.1  1 
      1014 . 130 GLU CB   C  31.6  0.1  1 
      1015 . 130 GLU CG   C  36.3  0.1  1 
      1016 . 130 GLU N    N 124.3  0.05 1 
      1017 . 131 GLU H    H   8.70 0.02 1 
      1018 . 131 GLU HA   H   4.13 0.02 1 
      1019 . 131 GLU C    C 176.8  0.1  1 
      1020 . 131 GLU CA   C  56.0  0.1  1 
      1021 . 131 GLU CB   C  30.5  0.1  1 
      1022 . 131 GLU CG   C  36.2  0.1  1 
      1023 . 131 GLU N    N 125.6  0.05 1 
      1024 . 132 ILE H    H   9.04 0.02 1 
      1025 . 132 ILE HA   H   4.01 0.02 1 
      1026 . 132 ILE HB   H   1.72 0.02 1 
      1027 . 132 ILE HG2  H   0.90 0.02 1 
      1028 . 132 ILE HD1  H   0.78 0.02 1 
      1029 . 132 ILE C    C 175.1  0.1  1 
      1030 . 132 ILE CA   C  62.2  0.1  1 
      1031 . 132 ILE CB   C  37.7  0.1  1 
      1032 . 132 ILE CG2  C  17.6  0.1  1 
      1033 . 132 ILE CD1  C  13.4  0.1  1 
      1034 . 132 ILE N    N 128.1  0.05 1 
      1035 . 133 ARG H    H   8.41 0.02 1 
      1036 . 133 ARG HA   H   4.54 0.02 1 
      1037 . 133 ARG C    C 175.3  0.1  1 
      1038 . 133 ARG CA   C  55.3  0.1  1 
      1039 . 133 ARG CB   C  31.7  0.1  1 
      1040 . 133 ARG N    N 125.4  0.05 1 
      1041 . 134 SER H    H   7.70 0.02 1 
      1042 . 134 SER CA   C  55.5  0.1  1 
      1043 . 134 SER CB   C  63.5  0.1  1 
      1044 . 134 SER N    N 115.2  0.05 1 
      1045 . 136 GLY H    H   8.24 0.02 1 
      1046 . 136 GLY CA   C  45.1  0.1  1 
      1047 . 136 GLY N    N 108.3  0.05 1 
      1048 . 137 SER H    H   8.20 0.02 1 
      1049 . 137 SER CA   C  58.5  0.1  1 
      1050 . 137 SER CB   C  64.0  0.1  1 
      1051 . 137 SER N    N 115.3  0.05 1 
      1052 . 138 GLY H    H   8.54 0.02 1 
      1053 . 138 GLY CA   C  45.6  0.1  1 
      1054 . 138 GLY N    N 110.9  0.05 1 
      1055 . 139 ARG H    H   8.28 0.02 1 
      1056 . 139 ARG CA   C  56.4  0.1  1 
      1057 . 139 ARG CB   C  30.7  0.1  1 
      1058 . 139 ARG CG   C  27.0  0.1  1 
      1059 . 139 ARG CD   C  43.3  0.1  1 
      1060 . 139 ARG N    N 120.5  0.05 1 
      1061 . 140 GLY H    H   8.51 0.02 1 
      1062 . 140 GLY CA   C  45.2  0.1  1 
      1063 . 140 GLY N    N 109.9  0.05 1 

   stop_

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