data_16711

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

save_entry_information
   _Saveframe_category      entry_information

   _Entry_title            
;
NMR structure of the protein NP_415897.1
;
   _BMRB_accession_number   16711
   _BMRB_flat_file_name     bmr16711.str
   _Entry_type              original
   _Submission_date         2010-02-06
   _Accession_date          2010-02-06
   _Entry_origination       author
   _NMR_STAR_version        2.1.1
   _Experimental_method     NMR
   _Details                'NMR structure of the protein NP_415897.1'

   loop_
      _Author_ordinal
      _Author_family_name
      _Author_given_name
      _Author_middle_initials
      _Author_family_title

      1 Serrano  Pedro    .  . 
      2 Jaudzems Kristaps .  . 
      3 Geralt   Michael  .  . 
      4 Horst    Reto     .  . 
      5 Wuthrich Kurt     .  . 
      6 Wilson   Ian      A. . 

   stop_

   loop_
      _Saveframe_category_type
      _Saveframe_category_type_count

      assigned_chemical_shifts 1 

   stop_

   loop_
      _Data_type
      _Data_type_count

      "1H chemical shifts"  682 
      "13C chemical shifts" 387 
      "15N chemical shifts" 131 

   stop_

   loop_
      _Revision_date
      _Revision_keyword
      _Revision_author
      _Revision_detail

      2012-08-03 original author . 

   stop_

   _Original_release_date   2012-08-03

save_


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

save_entry_citation
   _Saveframe_category           entry_citation

   _Citation_full                .
   _Citation_title              'NMR structure of the protein NP_415897.1'
   _Citation_status             'in preparation'
   _Citation_type                journal
   _CAS_abstract_code            .
   _MEDLINE_UI_code              .
   _PubMed_ID                    ?

   loop_
      _Author_ordinal
      _Author_family_name
      _Author_given_name
      _Author_middle_initials
      _Author_family_title

      1 Serrano  Pedro    .  . 
      2 Jaudzems Kristaps .  . 
      3 Geralt   Michael  .  . 
      4 Horst    Reto     .  . 
      5 Wilson   Ian      A. . 
      6 Wuthrich Kurt     .  . 

   stop_

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

save_


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

save_assembly
   _Saveframe_category         molecular_system

   _Mol_system_name            NP_415897.1
   _Enzyme_commission_number   .

   loop_
      _Mol_system_component_name
      _Mol_label

      NP_415897.1 $entity 

   stop_

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

save_


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

save_entity
   _Saveframe_category                          monomeric_polymer

   _Mol_type                                    polymer
   _Mol_polymer_class                           protein
   _Name_common                                 NP_415897.1
   _Molecular_mass                              12846.825
   _Mol_thiol_state                            'all free'
   _Details                                     .

   	##############################
   	#  Polymer residue sequence  #
   	##############################
   
      _Residue_count                               117
   _Mol_residue_sequence                       
;
MVTPEQLQHHRFVLESVNGK
PVTSDKNPPEISFGEKMMIS
GSMCNRFSGEGKLSNGELTA
KGLAMTRMMCANPQLNELDN
TISEMLKEGAQVDLTANQLT
LATAKQTLTYKLADLMN
;

   loop_
      _Residue_seq_code
      _Residue_label

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

   stop_

   _Sequence_homology_query_date                .
   _Sequence_homology_query_revised_last_date   2015-08-26

   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  2KTS         "Nmr Structure Of The Protein Np_415897.1"                                                                 100.00 117 100.00 100.00 1.97e-79 
      DBJ  BAA14984     "heat-inducible protein [Escherichia coli str. K12 substr. W3110]"                                          99.15 140 100.00 100.00 7.14e-79 
      DBJ  BAB35424     "heat shock protein hslJ [Escherichia coli O157:H7 str. Sakai]"                                             99.15 140  99.14  99.14 4.82e-78 
      DBJ  BAG76988     "heat shock protein [Escherichia coli SE11]"                                                                99.15 140 100.00 100.00 7.14e-79 
      DBJ  BAI25261     "heat-inducible protein HslJ [Escherichia coli O26:H11 str. 11368]"                                         99.15 140 100.00 100.00 7.88e-79 
      DBJ  BAI30341     "heat-inducible protein HslJ [Escherichia coli O103:H2 str. 12009]"                                         99.15 140 100.00 100.00 7.14e-79 
      EMBL CAP75894     "Heat shock protein hslJ [Escherichia coli LF82]"                                                           99.15 140 100.00 100.00 4.52e-79 
      EMBL CAQ31880     "heat shock protein HslJ [Escherichia coli BL21(DE3)]"                                                      99.15 140 100.00 100.00 7.14e-79 
      EMBL CAQ98238     "heat-inducible protein [Escherichia coli IAI1]"                                                            99.15 140 100.00 100.00 7.14e-79 
      EMBL CAR02814     "heat-inducible protein [Escherichia coli S88]"                                                             99.15 140  99.14  99.14 1.81e-78 
      EMBL CAR07740     "heat-inducible protein [Escherichia coli ED1a]"                                                            99.15 140 100.00 100.00 4.52e-79 
      GB   AAC74461     "heat-inducible lipoprotein involved in novobiocin resistance [Escherichia coli str. K-12 substr. MG1655]"  99.15 140 100.00 100.00 7.14e-79 
      GB   AAG56381     "heat shock protein hslJ [Escherichia coli O157:H7 str. EDL933]"                                            99.15 140  99.14  99.14 4.82e-78 
      GB   AAN80290     "Heat shock protein hslJ [Escherichia coli CFT073]"                                                         99.15 144 100.00 100.00 3.67e-79 
      GB   AAZ88432     "heat shock protein hslJ [Shigella sonnei Ss046]"                                                           99.15 140 100.00 100.00 7.14e-79 
      GB   ABB66292     "heat shock protein hslJ [Shigella boydii Sb227]"                                                           99.15 140 100.00 100.00 7.14e-79 
      REF  NP_310028    "heat-inducible protein [Escherichia coli O157:H7 str. Sakai]"                                              99.15 140  99.14  99.14 4.82e-78 
      REF  NP_415897    "heat-inducible lipoprotein involved in novobiocin resistance [Escherichia coli str. K-12 substr. MG1655]"  99.15 140 100.00 100.00 7.14e-79 
      REF  WP_000129114 "heat-inducible protein [Escherichia coli]"                                                                 99.15 156  99.14 100.00 1.45e-77 
      REF  WP_001295716 "heat-shock protein HslJ [Escherichia coli]"                                                                99.15 140 100.00 100.00 7.88e-79 
      REF  WP_001296048 "MULTISPECIES: heat-inducible protein [Enterobacteriaceae]"                                                 99.15 140 100.00 100.00 4.52e-79 
      SP   P52644       "RecName: Full=Heat shock protein HslJ"                                                                     99.15 140 100.00 100.00 7.14e-79 

   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

      $entity 'E. coli' 562 Eubacteria . Escherichia coli k12 

   stop_

save_


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

save_experimental_source
   _Saveframe_category   experimental_source


   loop_
      _Mol_label
      _Production_method
      _Host_organism_name_common
      _Genus
      _Species
      _Strain
      _Variant
      _Vector_name

      $entity 'recombinant technology' . Escherichia coli BL21 (DE3) pET25b 

   stop_

save_


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

save_sample_1
   _Saveframe_category   sample

   _Sample_type          solution
   _Details              .

   loop_
      _Mol_label
      _Concentration_value
      _Concentration_value_units
      _Isotopic_labeling

      $entity             1.2  mM '[U-98% 13C; U-98% 15N]' 
      'sodium phosphate' 20    mM 'natural abundance'      
      'sodium chloride'  50    mM 'natural abundance'      
      'sodium azide'      0.05 %  'natural abundance'      
       H2O               95    %  'natural abundance'      
       D2O                5    %  'natural abundance'      

   stop_

save_


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

save_CYANA
   _Saveframe_category   software

   _Name                 CYANA
   _Version              .

   loop_
      _Vendor
      _Address
      _Electronic_address

      'Guntert, Mumenthaler and Wuthrich' . . 

   stop_

   loop_
      _Task

      'structure solution' 

   stop_

   _Details              .

save_


save_CARA
   _Saveframe_category   software

   _Name                 CARA
   _Version              .

   loop_
      _Vendor
      _Address
      _Electronic_address

      'Keller and Wuthrich' . . 

   stop_

   loop_
      _Task

      'chemical shift assignment' 

   stop_

   _Details              .

save_


save_Topspin
   _Saveframe_category   software

   _Name                 TOPSPIN
   _Version              .

   loop_
      _Vendor
      _Address
      _Electronic_address

      'Bruker Biospin' . . 

   stop_

   loop_
      _Task

      collection 
      processing 

   stop_

   _Details              .

save_


save_OPAL
   _Saveframe_category   software

   _Name                 OPAL
   _Version              .

   loop_
      _Vendor
      _Address
      _Electronic_address

      'Luginbuhl, Guntert, Billeter and Wuthrich' . . 

   stop_

   loop_
      _Task

      refinement 

   stop_

   _Details              .

save_


save_UNIO
   _Saveframe_category   software

   _Name                 UNIO
   _Version              .

   loop_
      _Vendor
      _Address
      _Electronic_address

      'Herrmann and Wuthrich' . . 

   stop_

   loop_
      _Task

      'chemical shift assignment' 
      'peak picking'              
      'structure solution'        

   stop_

   _Details              .

save_


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

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

save_spectrometer_1
   _Saveframe_category   NMR_spectrometer

   _Manufacturer         Bruker
   _Model                Avance
   _Field_strength       600
   _Details              .

save_


save_spectrometer_2
   _Saveframe_category   NMR_spectrometer

   _Manufacturer         Bruker
   _Model                Avance
   _Field_strength       800
   _Details              .

save_


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

save_2D_1H-15N_HSQC_1
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '2D 1H-15N HSQC'
   _Sample_label        $sample_1

save_


save_2D_1H-13C_HSQC_2
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '2D 1H-13C HSQC'
   _Sample_label        $sample_1

save_


save_3D_1H-15N_NOESY_3
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D 1H-15N NOESY'
   _Sample_label        $sample_1

save_


save_3D_1H-13C_NOESY_(Ali)_4
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D 1H-13C NOESY (Ali)'
   _Sample_label        $sample_1

save_


save_3D_1H-13C_NOESY_(Aro)_5
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D 1H-13C NOESY (Aro)'
   _Sample_label        $sample_1

save_


save_APSY_5D-CBCACONH_6
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     'APSY 5D-CBCACONH'
   _Sample_label        $sample_1

save_


save_APSY_5D-HACACONH_7
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     'APSY 5D-HACACONH'
   _Sample_label        $sample_1

save_


save_APSY_4D-HACANH_8
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     'APSY 4D-HACANH'
   _Sample_label        $sample_1

save_


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

save_sample_conditions_1
   _Saveframe_category   sample_conditions

   _Details              .

   loop_
      _Variable_type
      _Variable_value
      _Variable_value_error
      _Variable_value_units

      'ionic strength'   0.1 . M   
       pH                6.0 . pH  
       pressure          1   . atm 
       temperature     298   . K   

   stop_

save_


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

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

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

save_chemical_shift_reference_1
   _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

      DSS C 13 'methyl protons' ppm 0.00 na       indirect . . . 0.251449530 
      DSS H  1 'methyl protons' ppm 0.00 internal direct   . . . 1.000000000 
      DSS N 15 'methyl protons' ppm 0.00 na       indirect . . . 0.101329118 

   stop_

save_


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

###################################################################
#       Chemical Shift Ambiguity Index Value Definitions          #
#                                                                 #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains.                              #
#                                                                 #
#   Index Value            Definition                             #
#                                                                 #
#      1             Unique (including isolated methyl protons,   #
#                         geminal atoms, and geminal methyl       #
#                         groups with identical chemical shifts)  #
#                         (e.g. ILE HD11, HD12, HD13 protons)     #
#      2             Ambiguity of geminal atoms or geminal methyl #
#                         proton groups (e.g. ASP HB2 and HB3     #
#                         protons, LEU CD1 and CD2 carbons, or    #
#                         LEU HD11, HD12, HD13 and HD21, HD22,    #
#                         HD23 methyl protons)                    #
#      3             Aromatic atoms on opposite sides of          #
#                         symmetrical rings (e.g. TYR HE1 and HE2 #
#                         protons)                                #
#      4             Intraresidue ambiguities (e.g. LYS HG and    #
#                         HD protons or TRP HZ2 and HZ3 protons)  #
#      5             Interresidue ambiguities (LYS 12 vs. LYS 27) #
#      6             Intermolecular ambiguities (e.g. ASP 31 CA   #
#                         in monomer 1 and ASP 31 CA in monomer 2 #
#                         of an asymmetrical homodimer, duplex    #
#                         DNA assignments, or other assignments   #
#                         that may apply to atoms in one or more  #
#                         molecule in the molecular assembly)     #
#      9             Ambiguous, specific ambiguity not defined    #
#                                                                 #
###################################################################
save_assigned_chem_shift_list_1
   _Saveframe_category               assigned_chemical_shifts

   _Details                          .

   loop_
      _Software_label

      $CARA    
      $Topspin 

   stop_

   loop_
      _Experiment_label

      '2D 1H-15N HSQC'        
      '3D 1H-15N NOESY'       
      '3D 1H-13C NOESY (Ali)' 
      '3D 1H-13C NOESY (Aro)' 
      'APSY 5D-CBCACONH'      
      'APSY 5D-HACACONH'      
      'APSY 4D-HACANH'        

   stop_

   loop_
      _Sample_label

      $sample_1 

   stop_

   _Sample_conditions_label         $sample_conditions_1
   _Chem_shift_reference_set_label  $chemical_shift_reference_1
   _Mol_system_component_name        NP_415897.1
   _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   1   1 MET HA   H   4.110 0.006 1 
         2   1   1 MET HB2  H   2.049 0.006 2 
         3   1   1 MET HB3  H   2.049 0.006 2 
         4   1   1 MET HG2  H   2.516 0.006 2 
         5   1   1 MET HG3  H   2.410 0.006 2 
         6   1   1 MET CA   C  55.120 0.16  1 
         7   1   1 MET CB   C  33.492 0.16  1 
         8   1   1 MET CG   C  31.060 0.16  1 
         9   2   2 VAL H    H   8.457 0.006 1 
        10   2   2 VAL HA   H   4.409 0.006 1 
        11   2   2 VAL HB   H   1.756 0.006 1 
        12   2   2 VAL HG1  H   0.671 0.006 1 
        13   2   2 VAL HG2  H   0.848 0.006 1 
        14   2   2 VAL CA   C  62.287 0.16  1 
        15   2   2 VAL CB   C  33.156 0.16  1 
        16   2   2 VAL CG1  C  21.666 0.16  2 
        17   2   2 VAL CG2  C  23.178 0.16  2 
        18   2   2 VAL N    N 124.856 0.12  1 
        19   3   3 THR H    H   7.709 0.006 1 
        20   3   3 THR HA   H   4.760 0.006 1 
        21   3   3 THR HB   H   4.570 0.006 1 
        22   3   3 THR HG2  H   1.151 0.006 1 
        23   3   3 THR CA   C  58.591 0.16  1 
        24   3   3 THR CB   C  69.384 0.16  1 
        25   3   3 THR CG2  C  22.393 0.16  1 
        26   3   3 THR N    N 115.665 0.12  1 
        27   4   4 PRO HA   H   3.953 0.006 1 
        28   4   4 PRO HB2  H   1.793 0.006 2 
        29   4   4 PRO HB3  H   2.172 0.006 2 
        30   4   4 PRO HD2  H   3.889 0.006 2 
        31   4   4 PRO HD3  H   3.732 0.006 2 
        32   4   4 PRO HG2  H   1.906 0.006 2 
        33   4   4 PRO HG3  H   2.245 0.006 2 
        34   4   4 PRO CA   C  66.334 0.16  1 
        35   4   4 PRO CB   C  32.271 0.16  1 
        36   4   4 PRO CD   C  50.900 0.16  1 
        37   4   4 PRO CG   C  28.543 0.16  1 
        38   5   5 GLU H    H   8.757 0.006 1 
        39   5   5 GLU HA   H   3.940 0.006 1 
        40   5   5 GLU HB2  H   1.993 0.006 2 
        41   5   5 GLU HB3  H   1.939 0.006 2 
        42   5   5 GLU HG2  H   2.396 0.006 2 
        43   5   5 GLU HG3  H   2.201 0.006 2 
        44   5   5 GLU CA   C  60.032 0.16  1 
        45   5   5 GLU CB   C  28.799 0.16  1 
        46   5   5 GLU CG   C  37.282 0.16  1 
        47   5   5 GLU N    N 115.254 0.12  1 
        48   6   6 GLN H    H   7.538 0.006 1 
        49   6   6 GLN HA   H   4.117 0.006 1 
        50   6   6 GLN HB2  H   1.931 0.006 2 
        51   6   6 GLN HB3  H   2.120 0.006 2 
        52   6   6 GLN HE21 H   6.831 0.006 2 
        53   6   6 GLN HE22 H   7.498 0.006 2 
        54   6   6 GLN HG2  H   2.314 0.006 2 
        55   6   6 GLN HG3  H   2.314 0.006 2 
        56   6   6 GLN CA   C  58.084 0.16  1 
        57   6   6 GLN CB   C  30.769 0.16  1 
        58   6   6 GLN CG   C  35.817 0.16  1 
        59   6   6 GLN N    N 116.415 0.12  1 
        60   6   6 GLN NE2  N 111.060 0.12  1 
        61   7   7 LEU H    H   6.891 0.006 1 
        62   7   7 LEU HA   H   4.268 0.006 1 
        63   7   7 LEU HB2  H   1.177 0.006 2 
        64   7   7 LEU HB3  H   0.590 0.006 2 
        65   7   7 LEU HD1  H  -0.007 0.006 1 
        66   7   7 LEU HD2  H   0.163 0.006 1 
        67   7   7 LEU HG   H   1.152 0.006 1 
        68   7   7 LEU CA   C  56.100 0.16  1 
        69   7   7 LEU CB   C  43.801 0.16  1 
        70   7   7 LEU CD1  C  25.488 0.16  2 
        71   7   7 LEU CD2  C  23.239 0.16  2 
        72   7   7 LEU CG   C  26.039 0.16  1 
        73   7   7 LEU N    N 115.020 0.12  1 
        74   8   8 GLN H    H   7.808 0.006 1 
        75   8   8 GLN HA   H   3.485 0.006 1 
        76   8   8 GLN HB2  H   1.710 0.006 2 
        77   8   8 GLN HB3  H   1.190 0.006 2 
        78   8   8 GLN HE21 H   6.964 0.006 2 
        79   8   8 GLN HE22 H   7.102 0.006 2 
        80   8   8 GLN HG2  H   2.333 0.006 2 
        81   8   8 GLN HG3  H   2.462 0.006 2 
        82   8   8 GLN CA   C  58.476 0.16  1 
        83   8   8 GLN CB   C  29.596 0.16  1 
        84   8   8 GLN CG   C  36.177 0.16  1 
        85   8   8 GLN N    N 114.473 0.12  1 
        86   8   8 GLN NE2  N 108.912 0.12  1 
        87   9   9 HIS H    H   8.428 0.006 1 
        88   9   9 HIS HA   H   4.152 0.006 1 
        89   9   9 HIS HB2  H   3.160 0.006 2 
        90   9   9 HIS HB3  H   3.309 0.006 2 
        91   9   9 HIS HD2  H   7.017 0.006 1 
        92   9   9 HIS HE1  H   8.399 0.006 1 
        93   9   9 HIS CA   C  57.299 0.16  1 
        94   9   9 HIS CB   C  26.616 0.16  1 
        95   9   9 HIS CD2  C 118.953 0.16  1 
        96   9   9 HIS CE1  C 135.486 0.16  1 
        97   9   9 HIS N    N 111.025 0.12  1 
        98  10  10 HIS H    H   7.760 0.006 1 
        99  10  10 HIS HA   H   5.575 0.006 1 
       100  10  10 HIS HB2  H   3.265 0.006 2 
       101  10  10 HIS HB3  H   2.445 0.006 2 
       102  10  10 HIS HD2  H   6.874 0.006 1 
       103  10  10 HIS HE1  H   8.312 0.006 1 
       104  10  10 HIS CA   C  54.790 0.16  1 
       105  10  10 HIS CB   C  32.748 0.16  1 
       106  10  10 HIS CD2  C 120.677 0.16  1 
       107  10  10 HIS CE1  C 136.043 0.16  1 
       108  10  10 HIS N    N 114.450 0.12  1 
       109  11  11 ARG H    H   8.358 0.006 1 
       110  11  11 ARG HA   H   4.889 0.006 1 
       111  11  11 ARG HB2  H   1.573 0.006 2 
       112  11  11 ARG HB3  H   1.573 0.006 2 
       113  11  11 ARG HD2  H   3.054 0.006 2 
       114  11  11 ARG HD3  H   3.054 0.006 2 
       115  11  11 ARG HE   H   7.358 0.006 1 
       116  11  11 ARG HG2  H   1.385 0.006 2 
       117  11  11 ARG HG3  H   1.120 0.006 2 
       118  11  11 ARG HH11 H   6.340 0.006 2 
       119  11  11 ARG HH12 H   6.340 0.006 2 
       120  11  11 ARG HH21 H   7.040 0.006 2 
       121  11  11 ARG HH22 H   7.040 0.006 2 
       122  11  11 ARG CA   C  54.588 0.16  1 
       123  11  11 ARG CB   C  33.859 0.16  1 
       124  11  11 ARG CD   C  43.851 0.16  1 
       125  11  11 ARG CG   C  29.444 0.16  1 
       126  11  11 ARG N    N 122.786 0.12  1 
       127  11  11 ARG NE   N  85.548 0.12  1 
       128  11  11 ARG NH1  N  70.046 0.12  2 
       129  11  11 ARG NH2  N  71.562 0.12  2 
       130  12  12 PHE H    H   9.301 0.006 1 
       131  12  12 PHE HA   H   5.249 0.006 1 
       132  12  12 PHE HB2  H   2.851 0.006 2 
       133  12  12 PHE HB3  H   2.693 0.006 2 
       134  12  12 PHE HD1  H   6.932 0.006 3 
       135  12  12 PHE HD2  H   6.932 0.006 3 
       136  12  12 PHE HE1  H   6.952 0.006 3 
       137  12  12 PHE HE2  H   6.952 0.006 3 
       138  12  12 PHE HZ   H   7.140 0.006 1 
       139  12  12 PHE CA   C  56.087 0.16  1 
       140  12  12 PHE CB   C  42.425 0.16  1 
       141  12  12 PHE CD1  C 131.558 0.16  3 
       142  12  12 PHE CE1  C 128.290 0.16  3 
       143  12  12 PHE CZ   C 131.040 0.16  1 
       144  12  12 PHE N    N 122.451 0.12  1 
       145  13  13 VAL H    H   9.332 0.006 1 
       146  13  13 VAL HA   H   5.030 0.006 1 
       147  13  13 VAL HB   H   1.957 0.006 1 
       148  13  13 VAL HG1  H   0.982 0.006 1 
       149  13  13 VAL HG2  H   0.958 0.006 1 
       150  13  13 VAL CA   C  60.768 0.16  1 
       151  13  13 VAL CB   C  35.152 0.16  1 
       152  13  13 VAL CG1  C  21.815 0.16  2 
       153  13  13 VAL CG2  C  21.296 0.16  2 
       154  13  13 VAL N    N 118.656 0.12  1 
       155  14  14 LEU H    H   8.564 0.006 1 
       156  14  14 LEU HA   H   3.451 0.006 1 
       157  14  14 LEU HB2  H   0.829 0.006 2 
       158  14  14 LEU HB3  H   1.569 0.006 2 
       159  14  14 LEU HD1  H   0.072 0.006 1 
       160  14  14 LEU HD2  H   0.562 0.006 1 
       161  14  14 LEU HG   H   1.044 0.006 1 
       162  14  14 LEU CA   C  57.026 0.16  1 
       163  14  14 LEU CB   C  43.765 0.16  1 
       164  14  14 LEU CD1  C  22.183 0.16  2 
       165  14  14 LEU CD2  C  28.161 0.16  2 
       166  14  14 LEU CG   C  26.733 0.16  1 
       167  14  14 LEU N    N 129.265 0.12  1 
       168  15  15 GLU H    H   9.405 0.006 1 
       169  15  15 GLU HA   H   4.558 0.006 1 
       170  15  15 GLU HB2  H   1.813 0.006 2 
       171  15  15 GLU HB3  H   1.869 0.006 2 
       172  15  15 GLU HG2  H   2.183 0.006 2 
       173  15  15 GLU HG3  H   2.029 0.006 2 
       174  15  15 GLU CA   C  57.483 0.16  1 
       175  15  15 GLU CB   C  33.436 0.16  1 
       176  15  15 GLU CG   C  37.171 0.16  1 
       177  15  15 GLU N    N 125.495 0.12  1 
       178  16  16 SER H    H   8.051 0.006 1 
       179  16  16 SER HA   H   4.975 0.006 1 
       180  16  16 SER HB2  H   3.522 0.006 2 
       181  16  16 SER HB3  H   3.269 0.006 2 
       182  16  16 SER CA   C  57.904 0.16  1 
       183  16  16 SER CB   C  66.379 0.16  1 
       184  16  16 SER N    N 112.253 0.12  1 
       185  17  17 VAL H    H   8.628 0.006 1 
       186  17  17 VAL HA   H   4.626 0.006 1 
       187  17  17 VAL HB   H   1.801 0.006 1 
       188  17  17 VAL HG1  H   0.861 0.006 1 
       189  17  17 VAL HG2  H   0.817 0.006 1 
       190  17  17 VAL CA   C  60.341 0.16  1 
       191  17  17 VAL CB   C  34.230 0.16  1 
       192  17  17 VAL CG1  C  20.124 0.16  2 
       193  17  17 VAL CG2  C  22.040 0.16  2 
       194  17  17 VAL N    N 119.501 0.12  1 
       195  18  18 ASN H    H   9.679 0.006 1 
       196  18  18 ASN HA   H   4.347 0.006 1 
       197  18  18 ASN HB2  H   2.957 0.006 2 
       198  18  18 ASN HB3  H   2.847 0.006 2 
       199  18  18 ASN HD21 H   7.630 0.006 2 
       200  18  18 ASN HD22 H   6.883 0.006 2 
       201  18  18 ASN CA   C  55.145 0.16  1 
       202  18  18 ASN CB   C  37.639 0.16  1 
       203  18  18 ASN N    N 127.695 0.12  1 
       204  18  18 ASN ND2  N 114.055 0.12  1 
       205  19  19 GLY H    H   8.519 0.006 1 
       206  19  19 GLY HA2  H   4.084 0.006 2 
       207  19  19 GLY HA3  H   3.507 0.006 2 
       208  19  19 GLY CA   C  45.591 0.16  1 
       209  19  19 GLY N    N 102.001 0.12  1 
       210  20  20 LYS H    H   7.906 0.006 1 
       211  20  20 LYS HA   H   4.835 0.006 1 
       212  20  20 LYS HB2  H   1.813 0.006 2 
       213  20  20 LYS HD2  H   1.661 0.006 2 
       214  20  20 LYS HD3  H   1.661 0.006 2 
       215  20  20 LYS HE2  H   2.901 0.006 2 
       216  20  20 LYS HG2  H   1.372 0.006 2 
       217  20  20 LYS HG3  H   1.437 0.006 2 
       218  20  20 LYS CA   C  53.100 0.16  1 
       219  20  20 LYS CB   C  33.484 0.16  1 
       220  20  20 LYS CD   C  29.235 0.16  1 
       221  20  20 LYS CE   C  42.420 0.16  1 
       222  20  20 LYS CG   C  24.931 0.16  1 
       223  20  20 LYS N    N 122.187 0.12  1 
       224  21  21 PRO HA   H   4.564 0.006 1 
       225  21  21 PRO HB2  H   2.287 0.006 2 
       226  21  21 PRO HB3  H   1.781 0.006 2 
       227  21  21 PRO HD2  H   3.852 0.006 2 
       228  21  21 PRO HD3  H   3.607 0.006 2 
       229  21  21 PRO HG2  H   1.979 0.006 2 
       230  21  21 PRO HG3  H   1.940 0.006 2 
       231  21  21 PRO CA   C  62.991 0.16  1 
       232  21  21 PRO CB   C  32.830 0.16  1 
       233  21  21 PRO CD   C  51.155 0.16  1 
       234  21  21 PRO CG   C  27.719 0.16  1 
       235  22  22 VAL H    H   7.757 0.006 1 
       236  22  22 VAL HA   H   4.202 0.006 1 
       237  22  22 VAL HB   H   1.685 0.006 1 
       238  22  22 VAL HG1  H   0.657 0.006 1 
       239  22  22 VAL HG2  H   0.665 0.006 1 
       240  22  22 VAL CA   C  61.459 0.16  1 
       241  22  22 VAL CB   C  33.518 0.16  1 
       242  22  22 VAL CG1  C  21.126 0.16  2 
       243  22  22 VAL CG2  C  21.340 0.16  2 
       244  22  22 VAL N    N 120.929 0.12  1 
       245  23  23 THR H    H   8.453 0.006 1 
       246  23  23 THR HA   H   4.308 0.006 1 
       247  23  23 THR HB   H   4.097 0.006 1 
       248  23  23 THR HG2  H   1.124 0.006 1 
       249  23  23 THR CA   C  62.160 0.16  1 
       250  23  23 THR CB   C  69.831 0.16  1 
       251  23  23 THR CG2  C  21.802 0.16  1 
       252  23  23 THR N    N 120.920 0.12  1 
       253  24  24 SER H    H   8.225 0.006 1 
       254  24  24 SER HA   H   4.470 0.006 1 
       255  24  24 SER HB2  H   3.660 0.006 2 
       256  24  24 SER HB3  H   3.723 0.006 2 
       257  24  24 SER CA   C  58.021 0.16  1 
       258  24  24 SER CB   C  64.587 0.16  1 
       259  24  24 SER N    N 118.333 0.12  1 
       260  25  25 ASP H    H   8.385 0.006 1 
       261  25  25 ASP HA   H   4.546 0.006 1 
       262  25  25 ASP HB2  H   2.616 0.006 2 
       263  25  25 ASP HB3  H   2.616 0.006 2 
       264  25  25 ASP CA   C  54.671 0.16  1 
       265  25  25 ASP CB   C  41.985 0.16  1 
       266  25  25 ASP N    N 123.206 0.12  1 
       267  26  26 LYS H    H   8.050 0.006 1 
       268  26  26 LYS HA   H   4.200 0.006 1 
       269  26  26 LYS HB2  H   1.695 0.006 2 
       270  26  26 LYS HB3  H   1.759 0.006 2 
       271  26  26 LYS HD3  H   1.597 0.006 2 
       272  26  26 LYS HE2  H   2.923 0.006 2 
       273  26  26 LYS HE3  H   2.923 0.006 2 
       274  26  26 LYS HG2  H   1.338 0.006 2 
       275  26  26 LYS HG3  H   1.338 0.006 2 
       276  26  26 LYS CA   C  56.853 0.16  1 
       277  26  26 LYS CB   C  33.403 0.16  1 
       278  26  26 LYS CD   C  29.247 0.16  1 
       279  26  26 LYS CE   C  42.510 0.16  1 
       280  26  26 LYS CG   C  24.889 0.16  1 
       281  26  26 LYS N    N 119.320 0.12  1 
       282  27  27 ASN H    H   8.505 0.006 1 
       283  27  27 ASN HA   H   4.788 0.006 1 
       284  27  27 ASN HB2  H   2.629 0.006 2 
       285  27  27 ASN HB3  H   2.671 0.006 2 
       286  27  27 ASN HD21 H   7.601 0.006 2 
       287  27  27 ASN HD22 H   6.787 0.006 2 
       288  27  27 ASN CA   C  52.233 0.16  1 
       289  27  27 ASN CB   C  38.902 0.16  1 
       290  27  27 ASN N    N 117.631 0.12  1 
       291  27  27 ASN ND2  N 113.528 0.12  1 
       292  28  28 PRO HA   H   4.610 0.006 1 
       293  28  28 PRO HB2  H   1.980 0.006 2 
       294  28  28 PRO HB3  H   2.251 0.006 2 
       295  28  28 PRO HD3  H   3.571 0.006 2 
       296  28  28 PRO HG2  H   1.960 0.006 2 
       297  28  28 PRO HG3  H   1.960 0.006 2 
       298  28  28 PRO CA   C  61.981 0.16  1 
       299  28  28 PRO CB   C  31.457 0.16  1 
       300  28  28 PRO CD   C  50.944 0.16  1 
       301  28  28 PRO CG   C  27.736 0.16  1 
       302  29  29 PRO HA   H   4.390 0.006 1 
       303  29  29 PRO HB2  H   1.870 0.006 2 
       304  29  29 PRO HB3  H   3.199 0.006 2 
       305  29  29 PRO HD2  H   3.907 0.006 2 
       306  29  29 PRO HD3  H   3.455 0.006 2 
       307  29  29 PRO HG2  H   1.725 0.006 2 
       308  29  29 PRO HG3  H   1.812 0.006 2 
       309  29  29 PRO CA   C  63.978 0.16  1 
       310  29  29 PRO CB   C  33.168 0.16  1 
       311  29  29 PRO CD   C  50.941 0.16  1 
       312  29  29 PRO CG   C  28.283 0.16  1 
       313  30  30 GLU H    H   8.023 0.006 1 
       314  30  30 GLU HA   H   5.780 0.006 1 
       315  30  30 GLU HB2  H   2.161 0.006 2 
       316  30  30 GLU HB3  H   1.947 0.006 2 
       317  30  30 GLU HG2  H   2.301 0.006 2 
       318  30  30 GLU HG3  H   2.058 0.006 2 
       319  30  30 GLU CA   C  54.796 0.16  1 
       320  30  30 GLU CB   C  34.970 0.16  1 
       321  30  30 GLU CG   C  35.035 0.16  1 
       322  30  30 GLU N    N 116.317 0.12  1 
       323  31  31 ILE H    H   9.591 0.006 1 
       324  31  31 ILE HA   H   4.818 0.006 1 
       325  31  31 ILE HB   H   1.450 0.006 1 
       326  31  31 ILE HD1  H   0.552 0.006 1 
       327  31  31 ILE HG12 H   1.386 0.006 2 
       328  31  31 ILE HG13 H   0.435 0.006 2 
       329  31  31 ILE HG2  H  -0.040 0.006 1 
       330  31  31 ILE CA   C  62.194 0.16  1 
       331  31  31 ILE CB   C  43.068 0.16  1 
       332  31  31 ILE CD1  C  13.497 0.16  1 
       333  31  31 ILE CG1  C  29.434 0.16  1 
       334  31  31 ILE CG2  C  15.228 0.16  1 
       335  31  31 ILE N    N 124.758 0.12  1 
       336  32  32 SER H    H   9.007 0.006 1 
       337  32  32 SER HA   H   5.299 0.006 1 
       338  32  32 SER HB2  H   3.567 0.006 2 
       339  32  32 SER HB3  H   3.622 0.006 2 
       340  32  32 SER CA   C  57.471 0.16  1 
       341  32  32 SER CB   C  66.361 0.16  1 
       342  32  32 SER N    N 120.864 0.12  1 
       343  33  33 PHE H    H   7.800 0.006 1 
       344  33  33 PHE HA   H   5.242 0.006 1 
       345  33  33 PHE HB2  H   3.238 0.006 2 
       346  33  33 PHE HB3  H   2.708 0.006 2 
       347  33  33 PHE HD1  H   7.143 0.006 3 
       348  33  33 PHE HD2  H   7.143 0.006 3 
       349  33  33 PHE HE1  H   6.791 0.006 3 
       350  33  33 PHE HE2  H   6.791 0.006 3 
       351  33  33 PHE HZ   H   6.542 0.006 1 
       352  33  33 PHE CA   C  56.063 0.16  1 
       353  33  33 PHE CB   C  41.732 0.16  1 
       354  33  33 PHE CD1  C 132.306 0.16  3 
       355  33  33 PHE CE1  C 129.533 0.16  3 
       356  33  33 PHE CZ   C 126.738 0.16  1 
       357  33  33 PHE N    N 117.991 0.12  1 
       358  34  34 GLY H    H   9.487 0.006 1 
       359  34  34 GLY HA2  H   3.577 0.006 2 
       360  34  34 GLY HA3  H   4.373 0.006 2 
       361  34  34 GLY CA   C  43.157 0.16  1 
       362  34  34 GLY N    N 115.011 0.12  1 
       363  35  35 GLU H    H   8.239 0.006 1 
       364  35  35 GLU HA   H   3.818 0.006 1 
       365  35  35 GLU HB2  H   1.941 0.006 2 
       366  35  35 GLU HB3  H   1.941 0.006 2 
       367  35  35 GLU HG2  H   2.315 0.006 2 
       368  35  35 GLU HG3  H   2.315 0.006 2 
       369  35  35 GLU CA   C  57.577 0.16  1 
       370  35  35 GLU CB   C  30.267 0.16  1 
       371  35  35 GLU CG   C  36.680 0.16  1 
       372  35  35 GLU N    N 117.502 0.12  1 
       373  36  36 LYS H    H   8.780 0.006 1 
       374  36  36 LYS HA   H   3.814 0.006 1 
       375  36  36 LYS HB2  H   1.854 0.006 2 
       376  36  36 LYS HB3  H   2.029 0.006 2 
       377  36  36 LYS HD2  H   1.670 0.006 2 
       378  36  36 LYS HD3  H   1.670 0.006 2 
       379  36  36 LYS HE2  H   2.954 0.006 2 
       380  36  36 LYS HE3  H   2.908 0.006 2 
       381  36  36 LYS HG2  H   1.369 0.006 2 
       382  36  36 LYS HG3  H   1.369 0.006 2 
       383  36  36 LYS CA   C  57.636 0.16  1 
       384  36  36 LYS CB   C  30.382 0.16  1 
       385  36  36 LYS CD   C  29.654 0.16  1 
       386  36  36 LYS CE   C  42.605 0.16  1 
       387  36  36 LYS CG   C  26.082 0.16  1 
       388  36  36 LYS N    N 119.552 0.12  1 
       389  37  37 MET H    H   8.284 0.006 1 
       390  37  37 MET HA   H   4.132 0.006 1 
       391  37  37 MET HB2  H   2.461 0.006 2 
       392  37  37 MET HB3  H   2.461 0.006 2 
       393  37  37 MET HE   H   1.649 0.006 1 
       394  37  37 MET HG2  H   2.601 0.006 2 
       395  37  37 MET HG3  H   2.541 0.006 2 
       396  37  37 MET CA   C  54.523 0.16  1 
       397  37  37 MET CB   C  27.640 0.16  1 
       398  37  37 MET CE   C  16.605 0.16  1 
       399  37  37 MET CG   C  33.544 0.16  1 
       400  37  37 MET N    N 112.301 0.12  1 
       401  38  38 MET H    H   6.971 0.006 1 
       402  38  38 MET HA   H   4.635 0.006 1 
       403  38  38 MET HB2  H   1.956 0.006 2 
       404  38  38 MET HE   H   2.018 0.006 1 
       405  38  38 MET HG2  H   2.692 0.006 2 
       406  38  38 MET HG3  H   2.553 0.006 2 
       407  38  38 MET CA   C  56.356 0.16  1 
       408  38  38 MET CB   C  31.517 0.16  1 
       409  38  38 MET CE   C  16.973 0.16  1 
       410  38  38 MET CG   C  32.691 0.16  1 
       411  38  38 MET N    N 116.715 0.12  1 
       412  39  39 ILE H    H   9.075 0.006 1 
       413  39  39 ILE HA   H   4.543 0.006 1 
       414  39  39 ILE HB   H   1.582 0.006 1 
       415  39  39 ILE HD1  H   0.781 0.006 1 
       416  39  39 ILE HG12 H   0.893 0.006 2 
       417  39  39 ILE HG13 H   1.926 0.006 2 
       418  39  39 ILE HG2  H   0.652 0.006 1 
       419  39  39 ILE CA   C  61.121 0.16  1 
       420  39  39 ILE CB   C  41.139 0.16  1 
       421  39  39 ILE CD1  C  15.645 0.16  1 
       422  39  39 ILE CG1  C  27.625 0.16  1 
       423  39  39 ILE CG2  C  17.856 0.16  1 
       424  39  39 ILE N    N 128.462 0.12  1 
       425  40  40 SER H    H   8.304 0.006 1 
       426  40  40 SER HA   H   4.974 0.006 1 
       427  40  40 SER HB2  H   3.626 0.006 2 
       428  40  40 SER HB3  H   3.583 0.006 2 
       429  40  40 SER CA   C  57.080 0.16  1 
       430  40  40 SER CB   C  66.039 0.16  1 
       431  40  40 SER N    N 120.073 0.12  1 
       432  41  41 GLY H    H   7.398 0.006 1 
       433  41  41 GLY HA2  H   3.759 0.006 2 
       434  41  41 GLY HA3  H   3.698 0.006 2 
       435  41  41 GLY CA   C  46.580 0.16  1 
       436  41  41 GLY N    N 107.645 0.12  1 
       437  42  42 SER H    H   8.496 0.006 1 
       438  42  42 SER HA   H   5.294 0.006 1 
       439  42  42 SER HB2  H   3.607 0.006 2 
       440  42  42 SER HB3  H   3.445 0.006 2 
       441  42  42 SER CA   C  57.744 0.16  1 
       442  42  42 SER CB   C  65.449 0.16  1 
       443  42  42 SER N    N 112.284 0.12  1 
       444  43  43 MET H    H   7.942 0.006 1 
       445  43  43 MET HA   H   4.441 0.006 1 
       446  43  43 MET HB2  H   3.237 0.006 2 
       447  43  43 MET HB3  H   1.875 0.006 2 
       448  43  43 MET HE   H   2.024 0.006 1 
       449  43  43 MET HG2  H   2.977 0.006 2 
       450  43  43 MET HG3  H   2.351 0.006 2 
       451  43  43 MET CA   C  56.699 0.16  1 
       452  43  43 MET CB   C  32.382 0.16  1 
       453  43  43 MET CE   C  20.934 0.16  1 
       454  43  43 MET CG   C  33.604 0.16  1 
       455  43  43 MET N    N 120.247 0.12  1 
       456  44  44 CYS H    H   8.395 0.006 1 
       457  44  44 CYS HA   H   4.586 0.006 1 
       458  44  44 CYS HB2  H   2.621 0.006 2 
       459  44  44 CYS HB3  H   3.630 0.006 2 
       460  44  44 CYS CA   C  58.621 0.16  1 
       461  44  44 CYS CB   C  38.414 0.16  1 
       462  44  44 CYS N    N 121.735 0.12  1 
       463  45  45 ASN H    H   9.744 0.006 1 
       464  45  45 ASN HA   H   4.440 0.006 1 
       465  45  45 ASN HB2  H   2.520 0.006 2 
       466  45  45 ASN HB3  H   2.629 0.006 2 
       467  45  45 ASN HD21 H   8.268 0.006 2 
       468  45  45 ASN HD22 H   9.407 0.006 2 
       469  45  45 ASN CA   C  53.623 0.16  1 
       470  45  45 ASN CB   C  42.599 0.16  1 
       471  45  45 ASN N    N 118.986 0.12  1 
       472  45  45 ASN ND2  N 122.611 0.12  1 
       473  46  46 ARG H    H   7.729 0.006 1 
       474  46  46 ARG HA   H   4.825 0.006 1 
       475  46  46 ARG HB2  H   1.788 0.006 2 
       476  46  46 ARG HB3  H   1.701 0.006 2 
       477  46  46 ARG HD2  H   3.079 0.006 2 
       478  46  46 ARG HD3  H   3.079 0.006 2 
       479  46  46 ARG HE   H   7.062 0.006 1 
       480  46  46 ARG HG2  H   1.707 0.006 2 
       481  46  46 ARG HG3  H   1.504 0.006 2 
       482  46  46 ARG CA   C  55.953 0.16  1 
       483  46  46 ARG CB   C  31.483 0.16  1 
       484  46  46 ARG CD   C  43.483 0.16  1 
       485  46  46 ARG CG   C  27.924 0.16  1 
       486  46  46 ARG N    N 119.218 0.12  1 
       487  46  46 ARG NE   N  84.300 0.12  1 
       488  47  47 PHE H    H   8.310 0.006 1 
       489  47  47 PHE HA   H   6.050 0.006 1 
       490  47  47 PHE HB2  H   2.847 0.006 2 
       491  47  47 PHE HB3  H   2.903 0.006 2 
       492  47  47 PHE HD1  H   6.747 0.006 3 
       493  47  47 PHE HD2  H   6.747 0.006 3 
       494  47  47 PHE HE1  H   6.855 0.006 3 
       495  47  47 PHE HE2  H   6.855 0.006 3 
       496  47  47 PHE HZ   H   7.090 0.006 1 
       497  47  47 PHE CA   C  54.843 0.16  1 
       498  47  47 PHE CB   C  43.768 0.16  1 
       499  47  47 PHE CD1  C 131.729 0.16  3 
       500  47  47 PHE CD2  C 131.729 0.16  3 
       501  47  47 PHE CE1  C 129.179 0.16  3 
       502  47  47 PHE CE2  C 129.179 0.16  3 
       503  47  47 PHE CZ   C 128.556 0.16  1 
       504  47  47 PHE N    N 118.392 0.12  1 
       505  48  48 SER H    H   8.488 0.006 1 
       506  48  48 SER HA   H   5.296 0.006 1 
       507  48  48 SER HB2  H   3.863 0.006 2 
       508  48  48 SER CA   C  57.248 0.16  1 
       509  48  48 SER CB   C  66.106 0.16  1 
       510  48  48 SER N    N 111.676 0.12  1 
       511  49  49 GLY H    H   8.584 0.006 1 
       512  49  49 GLY HA2  H   4.223 0.006 2 
       513  49  49 GLY HA3  H   3.900 0.006 2 
       514  49  49 GLY CA   C  46.043 0.16  1 
       515  49  49 GLY N    N 107.562 0.12  1 
       516  50  50 GLU H    H   8.619 0.006 1 
       517  50  50 GLU HA   H   4.592 0.006 1 
       518  50  50 GLU HB2  H   1.929 0.006 2 
       519  50  50 GLU HB3  H   2.031 0.006 2 
       520  50  50 GLU HG2  H   2.333 0.006 2 
       521  50  50 GLU HG3  H   2.181 0.006 2 
       522  50  50 GLU CA   C  57.085 0.16  1 
       523  50  50 GLU CB   C  30.838 0.16  1 
       524  50  50 GLU CG   C  36.716 0.16  1 
       525  50  50 GLU N    N 121.386 0.12  1 
       526  51  51 GLY H    H   8.427 0.006 1 
       527  51  51 GLY HA2  H   4.991 0.006 2 
       528  51  51 GLY HA3  H   3.693 0.006 2 
       529  51  51 GLY CA   C  45.330 0.16  1 
       530  51  51 GLY N    N 114.840 0.12  1 
       531  52  52 LYS H    H   8.700 0.006 1 
       532  52  52 LYS HA   H   4.353 0.006 1 
       533  52  52 LYS HB2  H   1.649 0.006 2 
       534  52  52 LYS HD2  H   1.557 0.006 2 
       535  52  52 LYS HD3  H   1.557 0.006 2 
       536  52  52 LYS HE2  H   2.839 0.006 2 
       537  52  52 LYS HE3  H   2.839 0.006 2 
       538  52  52 LYS HG2  H   1.296 0.006 2 
       539  52  52 LYS HG3  H   1.136 0.006 2 
       540  52  52 LYS CA   C  56.074 0.16  1 
       541  52  52 LYS CB   C  35.364 0.16  1 
       542  52  52 LYS CD   C  29.519 0.16  1 
       543  52  52 LYS CE   C  42.445 0.16  1 
       544  52  52 LYS CG   C  24.839 0.16  1 
       545  52  52 LYS N    N 120.206 0.12  1 
       546  53  53 LEU H    H   8.722 0.006 1 
       547  53  53 LEU HA   H   5.220 0.006 1 
       548  53  53 LEU HB2  H   1.694 0.006 2 
       549  53  53 LEU HB3  H   1.048 0.006 2 
       550  53  53 LEU HD1  H   0.439 0.006 1 
       551  53  53 LEU HD2  H   0.444 0.006 1 
       552  53  53 LEU HG   H   1.354 0.006 1 
       553  53  53 LEU CA   C  53.226 0.16  1 
       554  53  53 LEU CB   C  45.114 0.16  1 
       555  53  53 LEU CD1  C  24.259 0.16  2 
       556  53  53 LEU CD2  C  26.011 0.16  2 
       557  53  53 LEU CG   C  27.339 0.16  1 
       558  53  53 LEU N    N 127.638 0.12  1 
       559  54  54 SER H    H   8.665 0.006 1 
       560  54  54 SER HA   H   4.610 0.006 1 
       561  54  54 SER HB2  H   3.559 0.006 2 
       562  54  54 SER HB3  H   3.699 0.006 2 
       563  54  54 SER CA   C  57.015 0.16  1 
       564  54  54 SER CB   C  64.346 0.16  1 
       565  54  54 SER N    N 119.892 0.12  1 
       566  55  55 ASN H    H   9.532 0.006 1 
       567  55  55 ASN HA   H   4.387 0.006 1 
       568  55  55 ASN HB2  H   2.645 0.006 2 
       569  55  55 ASN HB3  H   3.012 0.006 2 
       570  55  55 ASN HD21 H   6.774 0.006 2 
       571  55  55 ASN HD22 H   7.522 0.006 2 
       572  55  55 ASN CA   C  54.875 0.16  1 
       573  55  55 ASN CB   C  38.228 0.16  1 
       574  55  55 ASN N    N 127.655 0.12  1 
       575  55  55 ASN ND2  N 113.140 0.12  1 
       576  56  56 GLY H    H   8.937 0.006 1 
       577  56  56 GLY HA2  H   4.209 0.006 2 
       578  56  56 GLY HA3  H   3.379 0.006 2 
       579  56  56 GLY CA   C  46.423 0.16  1 
       580  56  56 GLY N    N 104.394 0.12  1 
       581  57  57 GLU H    H   7.737 0.006 1 
       582  57  57 GLU HA   H   4.882 0.006 1 
       583  57  57 GLU HB2  H   1.992 0.006 2 
       584  57  57 GLU HB3  H   1.839 0.006 2 
       585  57  57 GLU HG2  H   1.771 0.006 2 
       586  57  57 GLU HG3  H   1.922 0.006 2 
       587  57  57 GLU CA   C  54.741 0.16  1 
       588  57  57 GLU CB   C  32.778 0.16  1 
       589  57  57 GLU CG   C  37.274 0.16  1 
       590  57  57 GLU N    N 119.484 0.12  1 
       591  58  58 LEU H    H   9.528 0.006 1 
       592  58  58 LEU HA   H   5.339 0.006 1 
       593  58  58 LEU HB2  H   1.684 0.006 2 
       594  58  58 LEU HB3  H   1.011 0.006 2 
       595  58  58 LEU HD1  H   0.703 0.006 1 
       596  58  58 LEU HD2  H   0.782 0.006 1 
       597  58  58 LEU HG   H   1.272 0.006 1 
       598  58  58 LEU CA   C  53.651 0.16  1 
       599  58  58 LEU CB   C  46.210 0.16  1 
       600  58  58 LEU CD1  C  27.250 0.16  2 
       601  58  58 LEU CD2  C  23.910 0.16  2 
       602  58  58 LEU CG   C  27.470 0.16  1 
       603  58  58 LEU N    N 130.730 0.12  1 
       604  59  59 THR H    H   8.763 0.006 1 
       605  59  59 THR HA   H   5.027 0.006 1 
       606  59  59 THR HB   H   4.092 0.006 1 
       607  59  59 THR HG2  H   1.023 0.006 1 
       608  59  59 THR CA   C  59.635 0.16  1 
       609  59  59 THR CB   C  73.662 0.16  1 
       610  59  59 THR CG2  C  22.943 0.16  1 
       611  59  59 THR N    N 115.733 0.12  1 
       612  60  60 ALA H    H   8.308 0.006 1 
       613  60  60 ALA HA   H   5.022 0.006 1 
       614  60  60 ALA HB   H   1.058 0.006 1 
       615  60  60 ALA CA   C  51.492 0.16  1 
       616  60  60 ALA CB   C  22.545 0.16  1 
       617  60  60 ALA N    N 119.582 0.12  1 
       618  61  61 LYS H    H   8.659 0.006 1 
       619  61  61 LYS HA   H   4.348 0.006 1 
       620  61  61 LYS HB2  H   1.735 0.006 2 
       621  61  61 LYS HB3  H   1.812 0.006 2 
       622  61  61 LYS HD2  H   1.617 0.006 2 
       623  61  61 LYS HD3  H   1.617 0.006 2 
       624  61  61 LYS HE2  H   2.890 0.006 2 
       625  61  61 LYS HE3  H   2.890 0.006 2 
       626  61  61 LYS HG2  H   1.405 0.006 2 
       627  61  61 LYS HG3  H   1.405 0.006 2 
       628  61  61 LYS CA   C  56.397 0.16  1 
       629  61  61 LYS CB   C  34.057 0.16  1 
       630  61  61 LYS CD   C  29.541 0.16  1 
       631  61  61 LYS CE   C  42.538 0.16  1 
       632  61  61 LYS CG   C  25.390 0.16  1 
       633  61  61 LYS N    N 122.305 0.12  1 
       634  62  62 GLY H    H   8.400 0.006 1 
       635  62  62 GLY HA2  H   3.911 0.006 2 
       636  62  62 GLY HA3  H   3.713 0.006 2 
       637  62  62 GLY CA   C  46.587 0.16  1 
       638  62  62 GLY N    N 109.859 0.12  1 
       639  63  63 LEU H    H   7.837 0.006 1 
       640  63  63 LEU HA   H   4.452 0.006 1 
       641  63  63 LEU HB2  H   1.335 0.006 2 
       642  63  63 LEU HB3  H   1.493 0.006 2 
       643  63  63 LEU HD1  H   0.551 0.006 1 
       644  63  63 LEU HD2  H   0.568 0.006 1 
       645  63  63 LEU HG   H   1.445 0.006 1 
       646  63  63 LEU CA   C  55.714 0.16  1 
       647  63  63 LEU CB   C  43.642 0.16  1 
       648  63  63 LEU CD1  C  25.024 0.16  2 
       649  63  63 LEU CD2  C  25.176 0.16  2 
       650  63  63 LEU CG   C  27.148 0.16  1 
       651  63  63 LEU N    N 120.748 0.12  1 
       652  64  64 ALA H    H   8.972 0.006 1 
       653  64  64 ALA HA   H   4.643 0.006 1 
       654  64  64 ALA HB   H   1.335 0.006 1 
       655  64  64 ALA CA   C  51.446 0.16  1 
       656  64  64 ALA CB   C  20.792 0.16  1 
       657  64  64 ALA N    N 130.501 0.12  1 
       658  65  65 MET H    H   8.232 0.006 1 
       659  65  65 MET HA   H   5.465 0.006 1 
       660  65  65 MET HB2  H   1.857 0.006 2 
       661  65  65 MET HB3  H   1.929 0.006 2 
       662  65  65 MET HE   H   1.848 0.006 1 
       663  65  65 MET HG2  H   2.820 0.006 2 
       664  65  65 MET HG3  H   2.385 0.006 2 
       665  65  65 MET CA   C  55.267 0.16  1 
       666  65  65 MET CB   C  37.610 0.16  1 
       667  65  65 MET CE   C  17.209 0.16  1 
       668  65  65 MET CG   C  31.840 0.16  1 
       669  65  65 MET N    N 121.384 0.12  1 
       670  66  66 THR H    H   7.910 0.006 1 
       671  66  66 THR HA   H   4.318 0.006 1 
       672  66  66 THR HB   H   4.603 0.006 1 
       673  66  66 THR HG2  H   1.271 0.006 1 
       674  66  66 THR CA   C  63.199 0.16  1 
       675  66  66 THR CB   C  70.092 0.16  1 
       676  66  66 THR CG2  C  22.389 0.16  1 
       677  66  66 THR N    N 114.482 0.12  1 
       678  67  67 ARG H    H   8.347 0.006 1 
       679  67  67 ARG HA   H   4.563 0.006 1 
       680  67  67 ARG HB2  H   1.997 0.006 2 
       681  67  67 ARG HB3  H   1.473 0.006 2 
       682  67  67 ARG HD2  H   3.102 0.006 2 
       683  67  67 ARG HD3  H   3.102 0.006 2 
       684  67  67 ARG HE   H   7.059 0.006 1 
       685  67  67 ARG HG2  H   1.547 0.006 2 
       686  67  67 ARG HG3  H   1.420 0.006 2 
       687  67  67 ARG CA   C  55.203 0.16  1 
       688  67  67 ARG CB   C  30.496 0.16  1 
       689  67  67 ARG CD   C  43.658 0.16  1 
       690  67  67 ARG CG   C  27.112 0.16  1 
       691  67  67 ARG N    N 118.643 0.12  1 
       692  67  67 ARG NE   N  85.080 0.12  1 
       693  68  68 MET H    H   9.071 0.006 1 
       694  68  68 MET HA   H   4.442 0.006 1 
       695  68  68 MET HB2  H   2.065 0.006 2 
       696  68  68 MET HB3  H   1.983 0.006 2 
       697  68  68 MET HE   H   2.055 0.006 1 
       698  68  68 MET HG2  H   2.542 0.006 2 
       699  68  68 MET HG3  H   2.493 0.006 2 
       700  68  68 MET CA   C  55.939 0.16  1 
       701  68  68 MET CB   C  33.700 0.16  1 
       702  68  68 MET CE   C  17.600 0.16  1 
       703  68  68 MET CG   C  32.640 0.16  1 
       704  68  68 MET N    N 121.595 0.12  1 
       705  69  69 MET H    H   8.525 0.006 1 
       706  69  69 MET HA   H   4.647 0.006 1 
       707  69  69 MET HB2  H   1.899 0.006 2 
       708  69  69 MET HE   H   1.996 0.006 1 
       709  69  69 MET HG2  H   2.485 0.006 2 
       710  69  69 MET HG3  H   2.443 0.006 2 
       711  69  69 MET CA   C  55.307 0.16  1 
       712  69  69 MET CB   C  33.570 0.16  1 
       713  69  69 MET CE   C  17.085 0.16  1 
       714  69  69 MET CG   C  32.389 0.16  1 
       715  69  69 MET N    N 120.960 0.12  1 
       716  70  70 CYS H    H   9.103 0.006 1 
       717  70  70 CYS HA   H   4.725 0.006 1 
       718  70  70 CYS HB2  H   3.222 0.006 2 
       719  70  70 CYS HB3  H   2.915 0.006 2 
       720  70  70 CYS CA   C  60.103 0.16  1 
       721  70  70 CYS CB   C  41.046 0.16  1 
       722  70  70 CYS N    N 123.610 0.12  1 
       723  71  71 ALA H    H   8.586 0.006 1 
       724  71  71 ALA HA   H   4.074 0.006 1 
       725  71  71 ALA HB   H   1.349 0.006 1 
       726  71  71 ALA CA   C  54.194 0.16  1 
       727  71  71 ALA CB   C  18.795 0.16  1 
       728  71  71 ALA N    N 124.741 0.12  1 
       729  72  72 ASN H    H   7.483 0.006 1 
       730  72  72 ASN HA   H   4.942 0.006 1 
       731  72  72 ASN HB2  H   2.826 0.006 2 
       732  72  72 ASN HB3  H   2.826 0.006 2 
       733  72  72 ASN HD21 H   7.264 0.006 2 
       734  72  72 ASN HD22 H   7.794 0.006 2 
       735  72  72 ASN CA   C  50.259 0.16  1 
       736  72  72 ASN CB   C  39.245 0.16  1 
       737  72  72 ASN N    N 115.850 0.12  1 
       738  72  72 ASN ND2  N 112.458 0.12  1 
       739  73  73 PRO HA   H   4.368 0.006 1 
       740  73  73 PRO HB2  H   2.373 0.006 2 
       741  73  73 PRO HB3  H   2.001 0.006 2 
       742  73  73 PRO HD2  H   4.222 0.006 2 
       743  73  73 PRO HD3  H   3.892 0.006 2 
       744  73  73 PRO HG2  H   2.054 0.006 2 
       745  73  73 PRO HG3  H   2.010 0.006 2 
       746  73  73 PRO CA   C  64.972 0.16  1 
       747  73  73 PRO CB   C  32.594 0.16  1 
       748  73  73 PRO CD   C  51.660 0.16  1 
       749  73  73 PRO CG   C  27.550 0.16  1 
       750  74  74 GLN H    H   7.852 0.006 1 
       751  74  74 GLN HA   H   4.080 0.006 1 
       752  74  74 GLN HB2  H   1.996 0.006 2 
       753  74  74 GLN HE21 H   6.819 0.006 2 
       754  74  74 GLN HE22 H   7.545 0.006 2 
       755  74  74 GLN HG2  H   2.114 0.006 2 
       756  74  74 GLN HG3  H   2.416 0.006 2 
       757  74  74 GLN CA   C  59.019 0.16  1 
       758  74  74 GLN CB   C  29.102 0.16  1 
       759  74  74 GLN CG   C  34.640 0.16  1 
       760  74  74 GLN N    N 118.023 0.12  1 
       761  74  74 GLN NE2  N 110.706 0.12  1 
       762  75  75 LEU H    H   7.458 0.006 1 
       763  75  75 LEU HA   H   3.961 0.006 1 
       764  75  75 LEU HB2  H   1.231 0.006 2 
       765  75  75 LEU HB3  H   1.783 0.006 2 
       766  75  75 LEU HD1  H   0.998 0.006 1 
       767  75  75 LEU HD2  H   0.630 0.006 1 
       768  75  75 LEU HG   H   1.556 0.006 1 
       769  75  75 LEU CA   C  57.895 0.16  1 
       770  75  75 LEU CB   C  41.277 0.16  1 
       771  75  75 LEU CD1  C  26.128 0.16  2 
       772  75  75 LEU CD2  C  22.329 0.16  2 
       773  75  75 LEU CG   C  27.287 0.16  1 
       774  75  75 LEU N    N 115.980 0.12  1 
       775  76  76 ASN H    H   7.037 0.006 1 
       776  76  76 ASN HA   H   4.472 0.006 1 
       777  76  76 ASN HB2  H   2.887 0.006 2 
       778  76  76 ASN HB3  H   2.740 0.006 2 
       779  76  76 ASN HD21 H   7.425 0.006 2 
       780  76  76 ASN HD22 H   7.589 0.006 2 
       781  76  76 ASN CA   C  57.090 0.16  1 
       782  76  76 ASN CB   C  38.634 0.16  1 
       783  76  76 ASN N    N 116.086 0.12  1 
       784  76  76 ASN ND2  N 114.586 0.12  1 
       785  77  77 GLU H    H   7.778 0.006 1 
       786  77  77 GLU HA   H   4.073 0.006 1 
       787  77  77 GLU HB2  H   2.094 0.006 2 
       788  77  77 GLU HG2  H   2.291 0.006 2 
       789  77  77 GLU HG3  H   2.144 0.006 2 
       790  77  77 GLU CA   C  59.534 0.16  1 
       791  77  77 GLU CB   C  29.606 0.16  1 
       792  77  77 GLU CG   C  36.296 0.16  1 
       793  77  77 GLU N    N 120.550 0.12  1 
       794  78  78 LEU H    H   8.069 0.006 1 
       795  78  78 LEU HA   H   4.073 0.006 1 
       796  78  78 LEU HB2  H   2.029 0.006 2 
       797  78  78 LEU HB3  H   1.704 0.006 2 
       798  78  78 LEU HD1  H   0.829 0.006 1 
       799  78  78 LEU HD2  H   0.744 0.006 1 
       800  78  78 LEU HG   H   1.908 0.006 1 
       801  78  78 LEU CA   C  58.015 0.16  1 
       802  78  78 LEU CB   C  42.283 0.16  1 
       803  78  78 LEU CD1  C  23.575 0.16  2 
       804  78  78 LEU CD2  C  26.152 0.16  2 
       805  78  78 LEU CG   C  27.837 0.16  1 
       806  78  78 LEU N    N 119.496 0.12  1 
       807  79  79 ASP H    H   7.552 0.006 1 
       808  79  79 ASP HA   H   4.128 0.006 1 
       809  79  79 ASP HB2  H   3.147 0.006 2 
       810  79  79 ASP HB3  H   2.716 0.006 2 
       811  79  79 ASP CA   C  58.118 0.16  1 
       812  79  79 ASP CB   C  41.276 0.16  1 
       813  79  79 ASP N    N 121.216 0.12  1 
       814  80  80 ASN H    H   6.994 0.006 1 
       815  80  80 ASN HA   H   4.355 0.006 1 
       816  80  80 ASN HB2  H   2.865 0.006 2 
       817  80  80 ASN HB3  H   2.964 0.006 2 
       818  80  80 ASN HD21 H   7.588 0.006 2 
       819  80  80 ASN HD22 H   7.189 0.006 2 
       820  80  80 ASN CA   C  56.246 0.16  1 
       821  80  80 ASN CB   C  38.572 0.16  1 
       822  80  80 ASN N    N 117.127 0.12  1 
       823  80  80 ASN ND2  N 114.753 0.12  1 
       824  81  81 THR H    H   8.569 0.006 1 
       825  81  81 THR HA   H   3.739 0.006 1 
       826  81  81 THR HB   H   4.127 0.006 1 
       827  81  81 THR HG2  H   1.041 0.006 1 
       828  81  81 THR CA   C  67.230 0.16  1 
       829  81  81 THR CB   C  68.893 0.16  1 
       830  81  81 THR CG2  C  22.590 0.16  1 
       831  81  81 THR N    N 118.300 0.12  1 
       832  82  82 ILE H    H   8.303 0.006 1 
       833  82  82 ILE HA   H   4.009 0.006 1 
       834  82  82 ILE HB   H   1.377 0.006 1 
       835  82  82 ILE HD1  H   0.605 0.006 1 
       836  82  82 ILE HG12 H   0.703 0.006 2 
       837  82  82 ILE HG13 H   0.656 0.006 2 
       838  82  82 ILE HG2  H   0.448 0.006 1 
       839  82  82 ILE CA   C  61.300 0.16  1 
       840  82  82 ILE CB   C  37.997 0.16  1 
       841  82  82 ILE CD1  C  13.349 0.16  1 
       842  82  82 ILE CG1  C  29.269 0.16  1 
       843  82  82 ILE CG2  C  18.956 0.16  1 
       844  82  82 ILE N    N 119.470 0.12  1 
       845  83  83 SER H    H   6.811 0.006 1 
       846  83  83 SER HA   H   3.768 0.006 1 
       847  83  83 SER HB2  H   3.852 0.006 2 
       848  83  83 SER HB3  H   3.764 0.006 2 
       849  83  83 SER CA   C  61.802 0.16  1 
       850  83  83 SER CB   C  63.095 0.16  1 
       851  83  83 SER N    N 117.139 0.12  1 
       852  84  84 GLU H    H   8.058 0.006 1 
       853  84  84 GLU HA   H   3.939 0.006 1 
       854  84  84 GLU HB2  H   2.004 0.006 2 
       855  84  84 GLU HB3  H   2.038 0.006 2 
       856  84  84 GLU HG2  H   2.267 0.006 2 
       857  84  84 GLU HG3  H   2.147 0.006 2 
       858  84  84 GLU CA   C  59.735 0.16  1 
       859  84  84 GLU CB   C  30.093 0.16  1 
       860  84  84 GLU CG   C  36.566 0.16  1 
       861  84  84 GLU N    N 120.389 0.12  1 
       862  85  85 MET H    H   8.355 0.006 1 
       863  85  85 MET HA   H   3.836 0.006 1 
       864  85  85 MET HB2  H   1.784 0.006 2 
       865  85  85 MET HB3  H   1.898 0.006 2 
       866  85  85 MET HE   H   1.806 0.006 1 
       867  85  85 MET HG2  H   2.784 0.006 2 
       868  85  85 MET HG3  H   2.272 0.006 2 
       869  85  85 MET CA   C  60.348 0.16  1 
       870  85  85 MET CB   C  34.839 0.16  1 
       871  85  85 MET CE   C  17.387 0.16  1 
       872  85  85 MET CG   C  32.183 0.16  1 
       873  85  85 MET N    N 118.015 0.12  1 
       874  86  86 LEU H    H   7.714 0.006 1 
       875  86  86 LEU HA   H   4.169 0.006 1 
       876  86  86 LEU HB2  H   1.313 0.006 2 
       877  86  86 LEU HB3  H   1.662 0.006 2 
       878  86  86 LEU HD1  H   0.501 0.006 1 
       879  86  86 LEU HD2  H   0.468 0.006 1 
       880  86  86 LEU HG   H   1.659 0.006 1 
       881  86  86 LEU CA   C  56.521 0.16  1 
       882  86  86 LEU CB   C  40.622 0.16  1 
       883  86  86 LEU CD1  C  21.952 0.16  2 
       884  86  86 LEU CD2  C  26.346 0.16  2 
       885  86  86 LEU CG   C  27.193 0.16  1 
       886  86  86 LEU N    N 113.334 0.12  1 
       887  87  87 LYS H    H   7.522 0.006 1 
       888  87  87 LYS HA   H   4.205 0.006 1 
       889  87  87 LYS HB2  H   1.866 0.006 2 
       890  87  87 LYS HB3  H   1.921 0.006 2 
       891  87  87 LYS HD2  H   1.630 0.006 2 
       892  87  87 LYS HD3  H   1.630 0.006 2 
       893  87  87 LYS HE2  H   2.903 0.006 2 
       894  87  87 LYS HE3  H   2.903 0.006 2 
       895  87  87 LYS HG2  H   1.528 0.006 2 
       896  87  87 LYS HG3  H   1.351 0.006 2 
       897  87  87 LYS CA   C  59.154 0.16  1 
       898  87  87 LYS CB   C  33.260 0.16  1 
       899  87  87 LYS CD   C  29.768 0.16  1 
       900  87  87 LYS CE   C  42.436 0.16  1 
       901  87  87 LYS CG   C  25.629 0.16  1 
       902  87  87 LYS N    N 118.833 0.12  1 
       903  88  88 GLU H    H   7.790 0.006 1 
       904  88  88 GLU HA   H   4.131 0.006 1 
       905  88  88 GLU HB2  H   2.057 0.006 2 
       906  88  88 GLU HB3  H   2.034 0.006 2 
       907  88  88 GLU HG2  H   2.294 0.006 2 
       908  88  88 GLU HG3  H   2.409 0.006 2 
       909  88  88 GLU CA   C  58.167 0.16  1 
       910  88  88 GLU CB   C  30.908 0.16  1 
       911  88  88 GLU CG   C  36.523 0.16  1 
       912  88  88 GLU N    N 116.470 0.12  1 
       913  89  89 GLY H    H   7.865 0.006 1 
       914  89  89 GLY HA2  H   4.171 0.006 2 
       915  89  89 GLY HA3  H   3.691 0.006 2 
       916  89  89 GLY CA   C  45.349 0.16  1 
       917  89  89 GLY N    N 109.172 0.12  1 
       918  90  90 ALA H    H   8.619 0.006 1 
       919  90  90 ALA HA   H   4.678 0.006 1 
       920  90  90 ALA HB   H   1.050 0.006 1 
       921  90  90 ALA CA   C  49.827 0.16  1 
       922  90  90 ALA CB   C  21.447 0.16  1 
       923  90  90 ALA N    N 128.022 0.12  1 
       924  91  91 GLN H    H   9.272 0.006 1 
       925  91  91 GLN HA   H   4.429 0.006 1 
       926  91  91 GLN HB2  H   1.985 0.006 2 
       927  91  91 GLN HB3  H   2.044 0.006 2 
       928  91  91 GLN HE21 H   6.861 0.006 2 
       929  91  91 GLN HE22 H   7.569 0.006 2 
       930  91  91 GLN HG2  H   2.379 0.006 2 
       931  91  91 GLN HG3  H   2.379 0.006 2 
       932  91  91 GLN CA   C  56.206 0.16  1 
       933  91  91 GLN CB   C  29.223 0.16  1 
       934  91  91 GLN CG   C  34.196 0.16  1 
       935  91  91 GLN N    N 123.506 0.12  1 
       936  91  91 GLN NE2  N 112.870 0.12  1 
       937  92  92 VAL H    H   8.277 0.006 1 
       938  92  92 VAL HA   H   4.931 0.006 1 
       939  92  92 VAL HB   H   1.653 0.006 1 
       940  92  92 VAL HG1  H   0.590 0.006 1 
       941  92  92 VAL HG2  H   0.685 0.006 1 
       942  92  92 VAL CA   C  60.912 0.16  1 
       943  92  92 VAL CB   C  34.088 0.16  1 
       944  92  92 VAL CG1  C  22.937 0.16  2 
       945  92  92 VAL CG2  C  23.223 0.16  2 
       946  92  92 VAL N    N 123.642 0.12  1 
       947  93  93 ASP H    H   8.573 0.006 1 
       948  93  93 ASP HA   H   4.738 0.006 1 
       949  93  93 ASP HB2  H   2.475 0.006 2 
       950  93  93 ASP HB3  H   2.436 0.006 2 
       951  93  93 ASP CA   C  53.395 0.16  1 
       952  93  93 ASP CB   C  45.850 0.16  1 
       953  93  93 ASP N    N 125.746 0.12  1 
       954  94  94 LEU H    H   8.127 0.006 1 
       955  94  94 LEU HA   H   5.216 0.006 1 
       956  94  94 LEU HB2  H   0.858 0.006 2 
       957  94  94 LEU HB3  H   1.696 0.006 2 
       958  94  94 LEU HD1  H   0.705 0.006 1 
       959  94  94 LEU HD2  H   0.728 0.006 1 
       960  94  94 LEU HG   H   1.349 0.006 1 
       961  94  94 LEU CA   C  54.411 0.16  1 
       962  94  94 LEU CB   C  45.517 0.16  1 
       963  94  94 LEU CD1  C  24.050 0.16  2 
       964  94  94 LEU CD2  C  26.947 0.16  2 
       965  94  94 LEU CG   C  27.644 0.16  1 
       966  94  94 LEU N    N 126.738 0.12  1 
       967  95  95 THR H    H   8.458 0.006 1 
       968  95  95 THR HA   H   4.389 0.006 1 
       969  95  95 THR HB   H   4.022 0.006 1 
       970  95  95 THR HG2  H   1.126 0.006 1 
       971  95  95 THR CA   C  61.842 0.16  1 
       972  95  95 THR CB   C  71.072 0.16  1 
       973  95  95 THR CG2  C  21.629 0.16  1 
       974  95  95 THR N    N 122.685 0.12  1 
       975  96  96 ALA H    H   9.138 0.006 1 
       976  96  96 ALA HA   H   3.888 0.006 1 
       977  96  96 ALA HB   H   1.390 0.006 1 
       978  96  96 ALA CA   C  54.363 0.16  1 
       979  96  96 ALA CB   C  17.226 0.16  1 
       980  96  96 ALA N    N 129.444 0.12  1 
       981  97  97 ASN H    H   8.364 0.006 1 
       982  97  97 ASN HA   H   4.553 0.006 1 
       983  97  97 ASN HB2  H   2.995 0.006 2 
       984  97  97 ASN HB3  H   3.139 0.006 2 
       985  97  97 ASN HD21 H   6.882 0.006 2 
       986  97  97 ASN HD22 H   7.594 0.006 2 
       987  97  97 ASN CA   C  53.920 0.16  1 
       988  97  97 ASN CB   C  38.674 0.16  1 
       989  97  97 ASN N    N 113.178 0.12  1 
       990  97  97 ASN ND2  N 112.419 0.12  1 
       991  98  98 GLN H    H   8.237 0.006 1 
       992  98  98 GLN HA   H   5.204 0.006 1 
       993  98  98 GLN HB2  H   2.042 0.006 2 
       994  98  98 GLN HE21 H   7.552 0.006 2 
       995  98  98 GLN HE22 H   6.822 0.006 2 
       996  98  98 GLN HG2  H   2.060 0.006 2 
       997  98  98 GLN HG3  H   2.266 0.006 2 
       998  98  98 GLN CA   C  55.402 0.16  1 
       999  98  98 GLN CB   C  32.661 0.16  1 
      1000  98  98 GLN CG   C  35.196 0.16  1 
      1001  98  98 GLN N    N 119.283 0.12  1 
      1002  98  98 GLN NE2  N 112.348 0.12  1 
      1003  99  99 LEU H    H   8.874 0.006 1 
      1004  99  99 LEU HA   H   5.106 0.006 1 
      1005  99  99 LEU HB2  H   1.182 0.006 2 
      1006  99  99 LEU HB3  H   0.595 0.006 2 
      1007  99  99 LEU HD1  H  -0.387 0.006 1 
      1008  99  99 LEU HD2  H   0.305 0.006 1 
      1009  99  99 LEU HG   H   0.897 0.006 1 
      1010  99  99 LEU CA   C  53.392 0.16  1 
      1011  99  99 LEU CB   C  46.147 0.16  1 
      1012  99  99 LEU CD1  C  24.995 0.16  2 
      1013  99  99 LEU CD2  C  24.827 0.16  2 
      1014  99  99 LEU CG   C  27.228 0.16  1 
      1015  99  99 LEU N    N 131.017 0.12  1 
      1016 100 100 THR H    H   9.411 0.006 1 
      1017 100 100 THR HA   H   5.394 0.006 1 
      1018 100 100 THR HB   H   3.879 0.006 1 
      1019 100 100 THR HG2  H   1.063 0.006 1 
      1020 100 100 THR CA   C  61.842 0.16  1 
      1021 100 100 THR CB   C  70.942 0.16  1 
      1022 100 100 THR CG2  C  22.131 0.16  1 
      1023 100 100 THR N    N 124.083 0.12  1 
      1024 101 101 LEU H    H   8.942 0.006 1 
      1025 101 101 LEU HA   H   5.078 0.006 1 
      1026 101 101 LEU HB2  H   1.225 0.006 2 
      1027 101 101 LEU HB3  H   1.682 0.006 2 
      1028 101 101 LEU HD1  H   1.049 0.006 1 
      1029 101 101 LEU HD2  H   0.674 0.006 1 
      1030 101 101 LEU HG   H   1.500 0.006 1 
      1031 101 101 LEU CA   C  53.702 0.16  1 
      1032 101 101 LEU CB   C  45.413 0.16  1 
      1033 101 101 LEU CD1  C  21.475 0.16  2 
      1034 101 101 LEU CD2  C  25.689 0.16  2 
      1035 101 101 LEU CG   C  28.279 0.16  1 
      1036 101 101 LEU N    N 125.577 0.12  1 
      1037 102 102 ALA H    H   8.863 0.006 1 
      1038 102 102 ALA HA   H   5.530 0.006 1 
      1039 102 102 ALA HB   H   1.320 0.006 1 
      1040 102 102 ALA CA   C  51.868 0.16  1 
      1041 102 102 ALA CB   C  24.078 0.16  1 
      1042 102 102 ALA N    N 124.662 0.12  1 
      1043 103 103 THR H    H   9.049 0.006 1 
      1044 103 103 THR HA   H   4.828 0.006 1 
      1045 103 103 THR HB   H   4.689 0.006 1 
      1046 103 103 THR HG2  H   1.328 0.006 1 
      1047 103 103 THR CA   C  59.818 0.16  1 
      1048 103 103 THR CB   C  72.020 0.16  1 
      1049 103 103 THR CG2  C  23.510 0.16  1 
      1050 103 103 THR N    N 113.849 0.12  1 
      1051 104 104 ALA H    H   8.731 0.006 1 
      1052 104 104 ALA HA   H   4.071 0.006 1 
      1053 104 104 ALA HB   H   1.392 0.006 1 
      1054 104 104 ALA CA   C  55.177 0.16  1 
      1055 104 104 ALA CB   C  18.679 0.16  1 
      1056 104 104 ALA N    N 120.571 0.12  1 
      1057 105 105 LYS H    H   7.780 0.006 1 
      1058 105 105 LYS HA   H   4.351 0.006 1 
      1059 105 105 LYS HB2  H   1.650 0.006 2 
      1060 105 105 LYS HB3  H   1.844 0.006 2 
      1061 105 105 LYS HE2  H   2.904 0.006 2 
      1062 105 105 LYS HE3  H   2.904 0.006 2 
      1063 105 105 LYS HG2  H   1.303 0.006 2 
      1064 105 105 LYS HG3  H   1.365 0.006 2 
      1065 105 105 LYS CA   C  56.651 0.16  1 
      1066 105 105 LYS CB   C  35.561 0.16  1 
      1067 105 105 LYS CE   C  42.424 0.16  1 
      1068 105 105 LYS CG   C  25.533 0.16  1 
      1069 105 105 LYS N    N 112.145 0.12  1 
      1070 106 106 GLN H    H   7.307 0.006 1 
      1071 106 106 GLN HA   H   5.096 0.006 1 
      1072 106 106 GLN HB2  H   2.197 0.006 2 
      1073 106 106 GLN HB3  H   2.061 0.006 2 
      1074 106 106 GLN HE21 H   6.543 0.006 2 
      1075 106 106 GLN HE22 H   7.180 0.006 2 
      1076 106 106 GLN HG2  H   1.949 0.006 2 
      1077 106 106 GLN HG3  H   1.669 0.006 2 
      1078 106 106 GLN CA   C  54.616 0.16  1 
      1079 106 106 GLN CB   C  32.855 0.16  1 
      1080 106 106 GLN CG   C  32.999 0.16  1 
      1081 106 106 GLN N    N 117.008 0.12  1 
      1082 106 106 GLN NE2  N 109.923 0.12  1 
      1083 107 107 THR H    H   8.540 0.006 1 
      1084 107 107 THR HA   H   4.990 0.006 1 
      1085 107 107 THR HB   H   3.837 0.006 1 
      1086 107 107 THR HG2  H   1.050 0.006 1 
      1087 107 107 THR CA   C  62.085 0.16  1 
      1088 107 107 THR CB   C  71.760 0.16  1 
      1089 107 107 THR CG2  C  22.091 0.16  1 
      1090 107 107 THR N    N 115.842 0.12  1 
      1091 108 108 LEU H    H   9.271 0.006 1 
      1092 108 108 LEU HA   H   4.956 0.006 1 
      1093 108 108 LEU HB2  H   1.804 0.006 2 
      1094 108 108 LEU HB3  H   1.302 0.006 2 
      1095 108 108 LEU HD1  H   0.852 0.006 1 
      1096 108 108 LEU HD2  H   0.829 0.006 1 
      1097 108 108 LEU HG   H   1.490 0.006 1 
      1098 108 108 LEU CA   C  53.970 0.16  1 
      1099 108 108 LEU CB   C  45.767 0.16  1 
      1100 108 108 LEU CD1  C  27.527 0.16  2 
      1101 108 108 LEU CD2  C  25.230 0.16  2 
      1102 108 108 LEU CG   C  27.894 0.16  1 
      1103 108 108 LEU N    N 127.855 0.12  1 
      1104 109 109 THR H    H   8.374 0.006 1 
      1105 109 109 THR HA   H   5.216 0.006 1 
      1106 109 109 THR HB   H   3.912 0.006 1 
      1107 109 109 THR HG2  H   1.069 0.006 1 
      1108 109 109 THR CA   C  62.333 0.16  1 
      1109 109 109 THR CB   C  70.523 0.16  1 
      1110 109 109 THR CG2  C  22.297 0.16  1 
      1111 109 109 THR N    N 116.534 0.12  1 
      1112 110 110 TYR H    H  10.100 0.006 1 
      1113 110 110 TYR HA   H   5.309 0.006 1 
      1114 110 110 TYR HB2  H   2.899 0.006 2 
      1115 110 110 TYR HB3  H   2.964 0.006 2 
      1116 110 110 TYR HD1  H   6.641 0.006 3 
      1117 110 110 TYR HD2  H   6.734 0.006 3 
      1118 110 110 TYR HE1  H   6.388 0.006 3 
      1119 110 110 TYR HE2  H   6.388 0.006 3 
      1120 110 110 TYR CA   C  56.430 0.16  1 
      1121 110 110 TYR CB   C  44.317 0.16  1 
      1122 110 110 TYR CD1  C 132.461 0.16  3 
      1123 110 110 TYR CD2  C 132.461 0.16  3 
      1124 110 110 TYR CE1  C 117.926 0.16  3 
      1125 110 110 TYR CE2  C 116.256 0.16  3 
      1126 110 110 TYR N    N 125.993 0.12  1 
      1127 111 111 LYS H    H   9.605 0.006 1 
      1128 111 111 LYS HA   H   5.409 0.006 1 
      1129 111 111 LYS HB2  H   1.826 0.006 2 
      1130 111 111 LYS HD2  H   1.670 0.006 2 
      1131 111 111 LYS HE2  H   2.912 0.006 2 
      1132 111 111 LYS HE3  H   2.912 0.006 2 
      1133 111 111 LYS HG3  H   1.443 0.006 2 
      1134 111 111 LYS CA   C  54.114 0.16  1 
      1135 111 111 LYS CB   C  35.944 0.16  1 
      1136 111 111 LYS CD   C  29.493 0.16  1 
      1137 111 111 LYS CE   C  42.424 0.16  1 
      1138 111 111 LYS CG   C  24.745 0.16  1 
      1139 111 111 LYS N    N 120.280 0.12  1 
      1140 112 112 LEU H    H   8.506 0.006 1 
      1141 112 112 LEU HA   H   3.785 0.006 1 
      1142 112 112 LEU HB2  H   1.210 0.006 2 
      1143 112 112 LEU HB3  H   1.718 0.006 2 
      1144 112 112 LEU HD1  H   0.680 0.006 1 
      1145 112 112 LEU HD2  H   0.333 0.006 1 
      1146 112 112 LEU HG   H   1.388 0.006 1 
      1147 112 112 LEU CA   C  57.623 0.16  1 
      1148 112 112 LEU CB   C  42.901 0.16  1 
      1149 112 112 LEU CD1  C  26.326 0.16  2 
      1150 112 112 LEU CD2  C  23.513 0.16  2 
      1151 112 112 LEU CG   C  27.152 0.16  1 
      1152 112 112 LEU N    N 126.477 0.12  1 
      1153 113 113 ALA H    H   9.177 0.006 1 
      1154 113 113 ALA HA   H   4.499 0.006 1 
      1155 113 113 ALA HB   H   1.155 0.006 1 
      1156 113 113 ALA CA   C  51.833 0.16  1 
      1157 113 113 ALA CB   C  20.328 0.16  1 
      1158 113 113 ALA N    N 133.192 0.12  1 
      1159 114 114 ASP H    H   7.683 0.006 1 
      1160 114 114 ASP HA   H   4.641 0.006 1 
      1161 114 114 ASP HB2  H   2.663 0.006 2 
      1162 114 114 ASP HB3  H   2.427 0.006 2 
      1163 114 114 ASP CA   C  55.918 0.16  1 
      1164 114 114 ASP CB   C  41.271 0.16  1 
      1165 114 114 ASP N    N 120.812 0.12  1 
      1166 115 115 LEU H    H   8.421 0.006 1 
      1167 115 115 LEU HA   H   4.294 0.006 1 
      1168 115 115 LEU HB2  H   1.471 0.006 2 
      1169 115 115 LEU HB3  H   1.581 0.006 2 
      1170 115 115 LEU HD1  H   0.766 0.006 1 
      1171 115 115 LEU HD2  H   0.820 0.006 1 
      1172 115 115 LEU HG   H   1.551 0.006 1 
      1173 115 115 LEU CA   C  55.132 0.16  1 
      1174 115 115 LEU CB   C  42.671 0.16  1 
      1175 115 115 LEU CD1  C  23.346 0.16  2 
      1176 115 115 LEU CD2  C  25.283 0.16  2 
      1177 115 115 LEU CG   C  27.273 0.16  1 
      1178 115 115 LEU N    N 121.673 0.12  1 
      1179 116 116 MET H    H   8.289 0.006 1 
      1180 116 116 MET HA   H   4.423 0.006 1 
      1181 116 116 MET HB2  H   2.046 0.006 2 
      1182 116 116 MET HB3  H   1.898 0.006 2 
      1183 116 116 MET HE   H   2.010 0.006 1 
      1184 116 116 MET HG2  H   2.446 0.006 2 
      1185 116 116 MET HG3  H   2.527 0.006 2 
      1186 116 116 MET CA   C  55.515 0.16  1 
      1187 116 116 MET CB   C  33.318 0.16  1 
      1188 116 116 MET CE   C  17.057 0.16  1 
      1189 116 116 MET CG   C  32.381 0.16  1 
      1190 116 116 MET N    N 121.126 0.12  1 
      1191 117 117 ASN H    H   7.906 0.006 1 
      1192 117 117 ASN HA   H   4.374 0.006 1 
      1193 117 117 ASN HB2  H   2.586 0.006 2 
      1194 117 117 ASN HB3  H   2.672 0.006 2 
      1195 117 117 ASN HD21 H   7.410 0.006 2 
      1196 117 117 ASN HD22 H   6.679 0.006 2 
      1197 117 117 ASN CA   C  55.033 0.16  1 
      1198 117 117 ASN CB   C  40.698 0.16  1 
      1199 117 117 ASN N    N 125.035 0.12  1 
      1200 117 117 ASN ND2  N 112.400 0.12  1 

   stop_

save_