data_6820

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

save_entry_information
   _Saveframe_category      entry_information

   _Entry_title            
;
Solution Structure Of The Calcium-loaded N-Terminal Sensor Domain Of Centrin
;
   _BMRB_accession_number   6820
   _BMRB_flat_file_name     bmr6820.str
   _Entry_type              original
   _Submission_date         2005-09-09
   _Accession_date          2005-09-29
   _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 Hu      H. T. . 
      2 Fagan   P. A. . 
      3 Bunick  C. G. . 
      4 Sheehan J. H. . 
      5 Chazin  W. J. . 

   stop_

   loop_
      _Saveframe_category_type
      _Saveframe_category_type_count

      assigned_chemical_shifts 1 

   stop_

   loop_
      _Data_type
      _Data_type_count

      "1H chemical shifts"  568 
      "13C chemical shifts" 382 
      "15N chemical shifts"  93 

   stop_

   loop_
      _Revision_date
      _Revision_keyword
      _Revision_author
      _Revision_detail

      2006-11-06 original author 'Original release'                                                
      2006-12-28 update   author 'adding chemical shift reference, shift error and ambiguity code' 

   stop_

save_


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

save_entry_citation
   _Saveframe_category           entry_citation

   _Citation_full                .
   _Citation_title              
;
Structure of the N-terminal calcium sensor domain of centrin reveals the 
biochemical basis for domain-specific function.
;
   _Citation_status              published
   _Citation_type                journal
   _CAS_abstract_code            .
   _MEDLINE_UI_code              .
   _PubMed_ID                    16317001

   loop_
      _Author_ordinal
      _Author_family_name
      _Author_given_name
      _Author_middle_initials
      _Author_family_title

      1 Hu      H. T. . 
      2 Fagan   P. A. . 
      3 Bunick  C. G. . 
      4 Sheehan J. H. . 
      5 Chazin  W. J. . 

   stop_

   _Journal_abbreviation        'J. Biol. Chem.'
   _Journal_volume               281
   _Journal_issue                .
   _Journal_CSD                  .
   _Book_chapter_title           .
   _Book_volume                  .
   _Book_series                  .
   _Book_ISBN                    .
   _Conference_state_province    .
   _Conference_abstract_number   .
   _Page_first                   2876
   _Page_last                    2881
   _Year                         2006
   _Details                      .

   loop_
      _Keyword

      'Calcium Sensor'                  
       Calmodulin                       
       Centrin                          
      'EF-Hand Calcium Binding Protein' 
      'Four-Helix Bundle'               

   stop_

save_


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

save_system_Caltractin
   _Saveframe_category         molecular_system

   _Mol_system_name            Caltractin
   _Abbreviation_common        Caltractin
   _Enzyme_commission_number   .

   loop_
      _Mol_system_component_name
      _Mol_label

      Caltractin $Caltractin 

   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_Caltractin
   _Saveframe_category                          monomeric_polymer

   _Mol_type                                    polymer
   _Mol_polymer_class                           protein
   _Name_common                                 Caltractin
   _Name_variant                                Centrin
   _Abbreviation_common                         Caltractin
   _Molecular_mass                              .
   _Mol_thiol_state                            'not present'
   _Details                                     .

   	##############################
   	#  Polymer residue sequence  #
   	##############################
   
      _Residue_count                               96
   _Mol_residue_sequence                       
;
GSMSYKAKTVVSARRDQKKG
RVGLTEEQKQEIREAFDLFD
TDGSGTIDAKELKVAMRALG
FEPKKEEIKKMISEIDKDGS
GTIDFEEFLTMMTAKM
;

   loop_
      _Residue_seq_code
      _Residue_label

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

   stop_

   _Sequence_homology_query_date                .
   _Sequence_homology_query_revised_last_date   2014-10-25

   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

      BMRB 6918  CRC-N                                                                         100.00 96 100.00 100.00 1.08e-59 
      PDB  2AMI  "Solution Structure Of The Calcium-loaded N-terminal Sensor Domain Of Centrin" 100.00 96 100.00 100.00 1.08e-59 

   stop_

save_


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

save_natural_source
   _Saveframe_category   natural_source


   loop_
      _Mol_label
      _Organism_name_common
      _NCBI_taxonomy_ID
      _Superkingdom
      _Kingdom
      _Genus
      _Species

      $Caltractin 'Chlamydomonas reinhardtii' 3055 Eukaryota Viridiplantae Chlamydomonas reinhardtii 

   stop_

save_


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

save_experimental_source
   _Saveframe_category   experimental_source


   loop_
      _Mol_label
      _Production_method
      _Host_organism_name_common
      _Genus
      _Species
      _Strain
      _Vector_name

      $Caltractin 'recombinant technology' 'E. Coli' . . . . 

   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

      $Caltractin   . mM 1  2 . 
       Tris-d11   25 mM  .   . . 
       CaCl2        . mM 5 10 . 
       H2O        90 %   .   . . 
       D2O        10 %   .   . . 

   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

      $Caltractin   . mM 1  2 [U-15N] 
       Tris-d11   25 mM  .   . .       
       CaCl2        . mM 5 10 .       
       H2O        90 %   .   . .       
       D2O        10 %   .   . .       

   stop_

save_


save_sample_3
   _Saveframe_category   sample

   _Sample_type          solution
   _Details              .

   loop_
      _Mol_label
      _Concentration_value
      _Concentration_value_units
      _Concentration_min_value
      _Concentration_max_value
      _Isotopic_labeling

      $Caltractin   . mM 1  2 [U-13C] 
       Tris-d11   25 mM  .   . .       
       CaCl2        . mM 5 10 .       
       H2O        90 %   .   . .       
       D2O        10 %   .   . .       

   stop_

save_


save_sample_4
   _Saveframe_category   sample

   _Sample_type          solution
   _Details              .

   loop_
      _Mol_label
      _Concentration_value
      _Concentration_value_units
      _Concentration_min_value
      _Concentration_max_value
      _Isotopic_labeling

      $Caltractin   . mM 1  2 '[U-13C; U-15N]' 
       Tris-d11   25 mM  .   .  .               
       CaCl2        . mM 5 10  .               
       H2O        90 %   .   .  .               
       D2O        10 %   .   .  .               

   stop_

save_


save_sample_5
   _Saveframe_category   sample

   _Sample_type          solution
   _Details              .

   loop_
      _Mol_label
      _Concentration_value
      _Concentration_value_units
      _Concentration_min_value
      _Concentration_max_value
      _Isotopic_labeling

      $Caltractin   . mM 1  2 '[U-10% 13C]' 
       Tris-d11   25 mM  .   .  .            
       CaCl2        . mM 5 10  .            
       H2O        90 %   .   .  .            
       D2O        10 %   .   .  .            

   stop_

save_


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

save_FELIX
   _Saveframe_category   software

   _Name                 FELIX
   _Version              2000

   loop_
      _Task

      processing 

   stop_

   _Details              Accelrys

save_


save_SANE
   _Saveframe_category   software

   _Name                 SANE
   _Version              1

   loop_
      _Task

      processing 

   stop_

   _Details             'Duggan, B.M.'

save_


save_DYANA
   _Saveframe_category   software

   _Name                 DYANA
   _Version              1.5

   loop_
      _Task

      'structure solution' 

   stop_

   _Details             'Guntert P.'

save_


save_AMBER
   _Saveframe_category   software

   _Name                 AMBER
   _Version              7.0

   loop_
      _Task

      refinement 

   stop_

   _Details             'Pearlman, D.A.'

save_


save_XWINNMR
   _Saveframe_category   software

   _Name                 xwinnmr
   _Version              2.6

   loop_
      _Task

      collection 

   stop_

   _Details              Bruker

save_


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

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

save_NMR_spectrometer
   _Saveframe_category   NMR_spectrometer

   _Manufacturer         Bruker
   _Model                DRX
   _Field_strength       800
   _Details              .

save_


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

save_2D_NOESY_1
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '2D NOESY'
   _Sample_label         .

save_


save_3D_15N-NOESY-HSQC_2
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D 15N-NOESY-HSQC'
   _Sample_label         .

save_


save_3D_13C-NOESY-HSQC_3
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D 13C-NOESY-HSQC'
   _Sample_label         .

save_


save_4D_13C-HMQC-NOESY-HMQC_4
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '4D 13C-HMQC-NOESY-HMQC'
   _Sample_label         .

save_


save_NMR_spec_expt__0_1
   _Saveframe_category                     NMR_applied_experiment

   _Experiment_name                       '2D NOESY'
   _BMRB_pulse_sequence_accession_number   .
   _Details                                .

save_


save_NMR_spec_expt__0_2
   _Saveframe_category                     NMR_applied_experiment

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

save_


save_NMR_spec_expt__0_3
   _Saveframe_category                     NMR_applied_experiment

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

save_


save_NMR_spec_expt__0_4
   _Saveframe_category                     NMR_applied_experiment

   _Experiment_name                       '4D 13C-HMQC-NOESY-HMQC'
   _BMRB_pulse_sequence_accession_number   .
   _Details                                .

save_


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

save_sample_cond_1
   _Saveframe_category   sample_conditions

   _Details             '5-10 mM CaCl2'

   loop_
      _Variable_type
      _Variable_value
      _Variable_value_error
      _Variable_value_units

      'ionic strength'   7.5 . mM  
       pH                7   . n/a 
       pressure          1   . atm 
       temperature     298   . K   

   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

      DSS C 13 'methyl protons' ppm 0.0 .        indirect . . . 0.251449530 
      DSS H  1 'methyl protons' ppm 0.0 internal direct   . . . 1.0         
      DSS N 15 'methyl protons' ppm 0.0 .        indirect . . . 0.101329118 

   stop_

save_


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

###################################################################
#       Chemical Shift Ambiguity Index Value Definitions          #
#                                                                 #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains.                              #
#                                                                 #
#   Index Value            Definition                             #
#                                                                 #
#      1             Unique (including isolated methyl protons,   #
#                         geminal atoms, and geminal methyl       #
#                         groups with identical chemical shifts)  #
#                         (e.g. ILE HD11, HD12, HD13 protons)     #
#      2             Ambiguity of geminal atoms or geminal methyl #
#                         proton groups (e.g. ASP HB2 and HB3     #
#                         protons, LEU CD1 and CD2 carbons, or    #
#                         LEU HD11, HD12, HD13 and HD21, HD22,    #
#                         HD23 methyl protons)                    #
#      3             Aromatic atoms on opposite sides of          #
#                         symmetrical rings (e.g. TYR HE1 and HE2 #
#                         protons)                                #
#      4             Intraresidue ambiguities (e.g. LYS HG and    #
#                         HD protons or TRP HZ2 and HZ3 protons)  #
#      5             Interresidue ambiguities (LYS 12 vs. LYS 27) #
#      6             Intermolecular ambiguities (e.g. ASP 31 CA   #
#                         in monomer 1 and ASP 31 CA in monomer 2 #
#                         of an asymmetrical homodimer, duplex    #
#                         DNA assignments, or other assignments   #
#                         that may apply to atoms in one or more  #
#                         molecule in the molecular assembly)     #
#      9             Ambiguous, specific ambiguity not defined    #
#                                                                 #
###################################################################
save_chemical_shift_set_1
   _Saveframe_category               assigned_chemical_shifts

   _Details                          .

   loop_
      _Sample_label

      $sample_1 

   stop_

   _Sample_conditions_label         $sample_cond_1
   _Chem_shift_reference_set_label  $chemical_shift_reference
   _Mol_system_component_name        Caltractin
   _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 GLY HA2  H   3.900 0.03 1 
         2 .  1 GLY HA3  H   3.900 0.03 1 
         3 .  1 GLY CA   C  43.400 0.40 1 
         4 .  2 SER HA   H   4.533 0.03 1 
         5 .  2 SER HB2  H   3.905 0.03 1 
         6 .  2 SER HB3  H   3.905 0.03 1 
         7 .  2 SER CA   C  58.450 0.40 1 
         8 .  2 SER CB   C  63.900 0.40 1 
         9 .  3 MET HA   H   4.530 0.03 1 
        10 .  3 MET HB2  H   2.023 0.03 1 
        11 .  3 MET HB3  H   2.023 0.03 1 
        12 .  3 MET HG2  H   2.566 0.03 1 
        13 .  3 MET HG3  H   2.566 0.03 1 
        14 .  3 MET HE   H   2.090 0.03 1 
        15 .  3 MET CA   C  55.600 0.40 1 
        16 .  3 MET CB   C  32.900 0.40 1 
        17 .  3 MET CG   C  32.200 0.40 1 
        18 .  3 MET CE   C  17.100 0.40 1 
        19 .  4 SER HA   H   4.533 0.03 1 
        20 .  4 SER HB2  H   3.905 0.03 1 
        21 .  4 SER HB3  H   3.905 0.03 1 
        22 .  4 SER CA   C  58.450 0.40 1 
        23 .  4 SER CB   C  63.650 0.40 1 
        24 .  5 TYR H    H   8.172 0.03 1 
        25 .  5 TYR HA   H   4.530 0.03 1 
        26 .  5 TYR HB2  H   3.030 0.03 1 
        27 .  5 TYR HB3  H   3.030 0.03 1 
        28 .  5 TYR HD1  H   7.225 0.03 1 
        29 .  5 TYR HD2  H   7.225 0.03 1 
        30 .  5 TYR HE1  H   6.923 0.03 1 
        31 .  5 TYR HE2  H   6.923 0.03 1 
        32 .  5 TYR CA   C  58.400 0.40 1 
        33 .  5 TYR CB   C  38.700 0.40 1 
        34 .  5 TYR N    N 122.600 0.20 1 
        35 .  6 LYS H    H   8.040 0.03 1 
        36 .  6 LYS HA   H   4.215 0.03 1 
        37 .  6 LYS HB2  H   1.714 0.03 1 
        38 .  6 LYS HB3  H   1.790 0.03 1 
        39 .  6 LYS HG2  H   1.354 0.03 1 
        40 .  6 LYS HG3  H   1.354 0.03 1 
        41 .  6 LYS HD2  H   1.640 0.03 1 
        42 .  6 LYS HD3  H   1.640 0.03 1 
        43 .  6 LYS HE2  H   2.980 0.03 1 
        44 .  6 LYS HE3  H   2.980 0.03 1 
        45 .  6 LYS CA   C  56.311 0.40 1 
        46 .  6 LYS CB   C  33.012 0.40 1 
        47 .  6 LYS CG   C  24.693 0.40 1 
        48 .  6 LYS CD   C  29.060 0.40 1 
        49 .  6 LYS CE   C  41.900 0.40 1 
        50 .  6 LYS N    N 123.034 0.20 1 
        51 .  7 ALA H    H   8.176 0.03 1 
        52 .  7 ALA HA   H   4.210 0.03 1 
        53 .  7 ALA HB   H   1.425 0.03 1 
        54 .  7 ALA CA   C  52.944 0.40 1 
        55 .  7 ALA CB   C  19.050 0.40 1 
        56 .  7 ALA N    N 124.572 0.20 1 
        57 .  8 LYS H    H   8.260 0.03 1 
        58 .  8 LYS N    N 119.916 0.20 1 
        59 .  9 THR H    H   8.075 0.03 1 
        60 .  9 THR HA   H   4.310 0.03 1 
        61 .  9 THR HB   H   4.203 0.03 1 
        62 .  9 THR HG2  H   1.213 0.03 1 
        63 .  9 THR CA   C  62.500 0.40 1 
        64 .  9 THR CB   C  69.700 0.40 1 
        65 .  9 THR CG2  C  21.650 0.40 1 
        66 .  9 THR N    N 115.740 0.20 1 
        67 . 10 VAL H    H   8.130 0.03 1 
        68 . 10 VAL HA   H   4.140 0.03 1 
        69 . 10 VAL HB   H   2.126 0.03 1 
        70 . 10 VAL HG1  H   0.970 0.03 1 
        71 . 10 VAL CA   C  62.920 0.40 1 
        72 . 10 VAL CB   C  32.600 0.40 1 
        73 . 10 VAL CG1  C  21.200 0.40 1 
        74 . 10 VAL N    N 122.930 0.20 1 
        75 . 11 VAL H    H   8.170 0.03 1 
        76 . 11 VAL HA   H   4.200 0.03 1 
        77 . 11 VAL HB   H   2.126 0.03 1 
        78 . 11 VAL HG1  H   0.970 0.03 1 
        79 . 11 VAL CA   C  62.900 0.40 1 
        80 . 11 VAL CB   C  32.850 0.40 1 
        81 . 11 VAL CG1  C  21.000 0.40 1 
        82 . 11 VAL N    N 122.930 0.20 1 
        83 . 12 SER H    H   8.311 0.03 1 
        84 . 12 SER HA   H   4.425 0.03 1 
        85 . 12 SER HB2  H   3.840 0.03 1 
        86 . 12 SER HB3  H   3.840 0.03 1 
        87 . 12 SER CA   C  58.550 0.40 1 
        88 . 12 SER CB   C  63.620 0.40 1 
        89 . 12 SER N    N 119.025 0.20 1 
        90 . 13 ALA H    H   8.255 0.03 1 
        91 . 13 ALA HA   H   4.365 0.03 1 
        92 . 13 ALA HB   H   1.435 0.03 1 
        93 . 13 ALA C    C 177.590 0.40 1 
        94 . 13 ALA CA   C  52.900 0.40 1 
        95 . 13 ALA CB   C  19.200 0.40 1 
        96 . 13 ALA N    N 126.034 0.20 1 
        97 . 14 ARG H    H   8.210 0.03 1 
        98 . 14 ARG HA   H   4.345 0.03 1 
        99 . 14 ARG HB2  H   1.804 0.03 1 
       100 . 14 ARG HB3  H   1.904 0.03 1 
       101 . 14 ARG HG2  H   1.655 0.03 1 
       102 . 14 ARG HG3  H   1.655 0.03 1 
       103 . 14 ARG HD2  H   3.246 0.03 1 
       104 . 14 ARG HD3  H   3.246 0.03 1 
       105 . 14 ARG CA   C  56.321 0.40 1 
       106 . 14 ARG CB   C  30.695 0.40 1 
       107 . 14 ARG CG   C  27.111 0.40 1 
       108 . 14 ARG CD   C  43.326 0.40 1 
       109 . 14 ARG N    N 119.711 0.20 1 
       110 . 15 ARG H    H   8.390 0.03 1 
       111 . 15 ARG HA   H   4.344 0.03 1 
       112 . 15 ARG HB2  H   1.820 0.03 1 
       113 . 15 ARG HB3  H   1.900 0.03 1 
       114 . 15 ARG HG2  H   1.655 0.03 1 
       115 . 15 ARG HG3  H   1.655 0.03 1 
       116 . 15 ARG HD2  H   3.230 0.03 1 
       117 . 15 ARG HD3  H   3.230 0.03 1 
       118 . 15 ARG C    C 176.040 0.40 1 
       119 . 15 ARG CA   C  56.500 0.40 1 
       120 . 15 ARG CB   C  30.770 0.40 1 
       121 . 15 ARG CG   C  27.024 0.40 1 
       122 . 15 ARG CD   C  43.383 0.40 1 
       123 . 15 ARG N    N 122.000 0.20 1 
       124 . 16 ASP H    H   8.360 0.03 1 
       125 . 16 ASP HA   H   4.620 0.03 1 
       126 . 16 ASP HB2  H   2.710 0.03 1 
       127 . 16 ASP HB3  H   2.710 0.03 1 
       128 . 16 ASP C    C 176.220 0.40 1 
       129 . 16 ASP CA   C  54.320 0.40 1 
       130 . 16 ASP CB   C  41.027 0.40 1 
       131 . 16 ASP N    N 120.870 0.20 1 
       132 . 17 GLN H    H   8.250 0.03 1 
       133 . 17 GLN HA   H   4.330 0.03 1 
       134 . 17 GLN HB2  H   2.020 0.03 1 
       135 . 17 GLN HB3  H   2.185 0.03 1 
       136 . 17 GLN HG2  H   2.400 0.03 1 
       137 . 17 GLN HG3  H   2.400 0.03 1 
       138 . 17 GLN HE21 H   6.870 0.03 1 
       139 . 17 GLN HE22 H   7.540 0.03 1 
       140 . 17 GLN C    C 176.080 0.40 1 
       141 . 17 GLN CA   C  56.200 0.40 1 
       142 . 17 GLN CB   C  29.270 0.40 1 
       143 . 17 GLN CG   C  33.780 0.40 1 
       144 . 17 GLN N    N 120.654 0.20 1 
       145 . 17 GLN NE2  N 112.300 0.20 1 
       146 . 18 LYS H    H   8.345 0.03 1 
       147 . 18 LYS HA   H   4.320 0.03 1 
       148 . 18 LYS HB2  H   1.850 0.03 1 
       149 . 18 LYS HB3  H   1.850 0.03 1 
       150 . 18 LYS HG2  H   1.470 0.03 1 
       151 . 18 LYS HG3  H   1.470 0.03 1 
       152 . 18 LYS HD2  H   1.720 0.03 1 
       153 . 18 LYS HD3  H   1.720 0.03 1 
       154 . 18 LYS HE2  H   3.030 0.03 1 
       155 . 18 LYS HE3  H   3.030 0.03 1 
       156 . 18 LYS C    C 176.650 0.40 1 
       157 . 18 LYS CA   C  56.600 0.40 1 
       158 . 18 LYS CB   C  32.749 0.40 1 
       159 . 18 LYS CG   C  24.881 0.40 1 
       160 . 18 LYS CD   C  29.100 0.40 1 
       161 . 18 LYS CE   C  42.197 0.40 1 
       162 . 18 LYS N    N 122.000 0.20 1 
       163 . 19 LYS H    H   8.275 0.03 1 
       164 . 19 LYS HA   H   4.340 0.03 1 
       165 . 19 LYS HB2  H   1.810 0.03 1 
       166 . 19 LYS HB3  H   1.880 0.03 1 
       167 . 19 LYS HG2  H   1.480 0.03 1 
       168 . 19 LYS HG3  H   1.480 0.03 1 
       169 . 19 LYS HD2  H   1.740 0.03 1 
       170 . 19 LYS HD3  H   1.740 0.03 1 
       171 . 19 LYS HE2  H   3.030 0.03 1 
       172 . 19 LYS HE3  H   3.030 0.03 1 
       173 . 19 LYS C    C 177.010 0.40 1 
       174 . 19 LYS CA   C  56.554 0.40 1 
       175 . 19 LYS CB   C  32.900 0.40 1 
       176 . 19 LYS CG   C  24.739 0.40 1 
       177 . 19 LYS CD   C  29.117 0.40 1 
       178 . 19 LYS CE   C  42.214 0.40 1 
       179 . 19 LYS N    N 121.700 0.20 1 
       180 . 20 GLY H    H   8.390 0.03 1 
       181 . 20 GLY HA2  H   3.985 0.03 1 
       182 . 20 GLY HA3  H   3.985 0.03 1 
       183 . 20 GLY C    C 173.840 0.40 1 
       184 . 20 GLY CA   C  45.194 0.40 1 
       185 . 20 GLY N    N 110.100 0.20 1 
       186 . 21 ARG H    H   8.210 0.03 1 
       187 . 21 ARG HA   H   4.398 0.03 1 
       188 . 21 ARG HB2  H   1.820 0.03 1 
       189 . 21 ARG HB3  H   1.900 0.03 1 
       190 . 21 ARG HG2  H   1.650 0.03 1 
       191 . 21 ARG HG3  H   1.650 0.03 1 
       192 . 21 ARG HD2  H   3.220 0.03 1 
       193 . 21 ARG HD3  H   3.220 0.03 1 
       194 . 21 ARG C    C 176.390 0.40 1 
       195 . 21 ARG CA   C  56.090 0.40 1 
       196 . 21 ARG CB   C  30.943 0.40 1 
       197 . 21 ARG CG   C  26.999 0.40 1 
       198 . 21 ARG CD   C  43.260 0.40 1 
       199 . 21 ARG N    N 121.000 0.20 1 
       200 . 22 VAL H    H   8.210 0.03 1 
       201 . 22 VAL HA   H   4.185 0.03 1 
       202 . 22 VAL HB   H   2.130 0.03 1 
       203 . 22 VAL HG1  H   0.981 0.03 1 
       204 . 22 VAL C    C 176.320 0.40 1 
       205 . 22 VAL CA   C  62.260 0.40 1 
       206 . 22 VAL CB   C  32.850 0.40 1 
       207 . 22 VAL CG1  C  20.750 0.40 1 
       208 . 22 VAL CG2  C  20.750 0.40 1 
       209 . 22 VAL N    N 121.291 0.20 1 
       210 . 23 GLY H    H   8.390 0.03 1 
       211 . 23 GLY HA2  H   3.930 0.03 1 
       212 . 23 GLY HA3  H   4.030 0.03 1 
       213 . 23 GLY C    C 173.530 0.40 1 
       214 . 23 GLY CA   C  44.900 0.40 1 
       215 . 23 GLY N    N 112.242 0.20 1 
       216 . 24 LEU H    H   8.070 0.03 1 
       217 . 24 LEU HA   H   4.654 0.03 1 
       218 . 24 LEU HB2  H   1.600 0.03 1 
       219 . 24 LEU HB3  H   1.600 0.03 1 
       220 . 24 LEU HG   H   1.723 0.03 1 
       221 . 24 LEU HD1  H   0.858 0.03 1 
       222 . 24 LEU HD2  H   0.836 0.03 1 
       223 . 24 LEU C    C 178.142 0.40 1 
       224 . 24 LEU CA   C  54.600 0.40 1 
       225 . 24 LEU CB   C  43.867 0.40 1 
       226 . 24 LEU CG   C  27.100 0.40 1 
       227 . 24 LEU CD1  C  26.200 0.40 1 
       228 . 24 LEU CD2  C  24.120 0.40 1 
       229 . 24 LEU N    N 121.680 0.20 1 
       230 . 25 THR H    H   8.720 0.03 1 
       231 . 25 THR HA   H   4.550 0.03 1 
       232 . 25 THR HB   H   4.810 0.03 1 
       233 . 25 THR HG2  H   1.370 0.03 1 
       234 . 25 THR C    C 175.690 0.40 1 
       235 . 25 THR CA   C  60.600 0.40 1 
       236 . 25 THR CB   C  71.100 0.40 1 
       237 . 25 THR CG2  C  21.800 0.40 1 
       238 . 25 THR N    N 114.500 0.20 1 
       239 . 26 GLU H    H   9.060 0.03 1 
       240 . 26 GLU HA   H   4.060 0.03 1 
       241 . 26 GLU HB2  H   2.100 0.03 1 
       242 . 26 GLU HB3  H   2.100 0.03 1 
       243 . 26 GLU HG2  H   2.430 0.03 1 
       244 . 26 GLU HG3  H   2.430 0.03 1 
       245 . 26 GLU C    C 179.300 0.40 1 
       246 . 26 GLU CA   C  59.650 0.40 1 
       247 . 26 GLU CB   C  28.892 0.40 1 
       248 . 26 GLU CG   C  36.500 0.40 1 
       249 . 26 GLU N    N 121.210 0.20 1 
       250 . 27 GLU H    H   8.830 0.03 1 
       251 . 27 GLU HA   H   4.110 0.03 1 
       252 . 27 GLU HB2  H   2.020 0.03 1 
       253 . 27 GLU HB3  H   2.113 0.03 1 
       254 . 27 GLU HG2  H   2.362 0.03 1 
       255 . 27 GLU HG3  H   2.439 0.03 1 
       256 . 27 GLU C    C 179.455 0.40 1 
       257 . 27 GLU CA   C  60.100 0.40 1 
       258 . 27 GLU CB   C  29.100 0.40 1 
       259 . 27 GLU CG   C  37.043 0.40 1 
       260 . 27 GLU N    N 119.400 0.20 1 
       261 . 28 GLN H    H   7.850 0.03 1 
       262 . 28 GLN HA   H   4.185 0.03 1 
       263 . 28 GLN HB2  H   1.970 0.03 1 
       264 . 28 GLN HB3  H   2.420 0.03 1 
       265 . 28 GLN HG2  H   2.486 0.03 1 
       266 . 28 GLN HG3  H   2.486 0.03 1 
       267 . 28 GLN HE21 H   6.780 0.03 1 
       268 . 28 GLN HE22 H   7.600 0.03 1 
       269 . 28 GLN C    C 179.160 0.40 1 
       270 . 28 GLN CA   C  58.630 0.40 1 
       271 . 28 GLN CB   C  29.420 0.40 1 
       272 . 28 GLN CG   C  34.803 0.40 1 
       273 . 28 GLN N    N 120.060 0.20 1 
       274 . 28 GLN NE2  N 111.000 0.20 1 
       275 . 29 LYS H    H   8.430 0.03 1 
       276 . 29 LYS HA   H   3.900 0.03 1 
       277 . 29 LYS HB2  H   2.020 0.03 1 
       278 . 29 LYS HB3  H   2.020 0.03 1 
       279 . 29 LYS HG2  H   1.679 0.03 1 
       280 . 29 LYS HG3  H   1.447 0.03 1 
       281 . 29 LYS HD2  H   1.782 0.03 1 
       282 . 29 LYS HD3  H   1.782 0.03 1 
       283 . 29 LYS HE2  H   2.950 0.03 1 
       284 . 29 LYS HE3  H   2.950 0.03 1 
       285 . 29 LYS C    C 178.650 0.40 1 
       286 . 29 LYS CA   C  60.850 0.40 1 
       287 . 29 LYS CB   C  32.249 0.40 1 
       288 . 29 LYS CG   C  26.480 0.40 1 
       289 . 29 LYS CD   C  29.700 0.40 1 
       290 . 29 LYS CE   C  42.002 0.40 1 
       291 . 29 LYS N    N 119.470 0.20 1 
       292 . 30 GLN H    H   8.175 0.03 1 
       293 . 30 GLN HA   H   4.130 0.03 1 
       294 . 30 GLN HB2  H   2.220 0.03 1 
       295 . 30 GLN HB3  H   2.270 0.03 1 
       296 . 30 GLN HG2  H   2.501 0.03 1 
       297 . 30 GLN HG3  H   2.501 0.03 1 
       298 . 30 GLN HE21 H   6.840 0.03 1 
       299 . 30 GLN HE22 H   7.790 0.03 1 
       300 . 30 GLN C    C 178.190 0.40 1 
       301 . 30 GLN CA   C  58.600 0.40 1 
       302 . 30 GLN CB   C  27.650 0.40 1 
       303 . 30 GLN CG   C  33.218 0.40 1 
       304 . 30 GLN N    N 119.200 0.20 1 
       305 . 30 GLN NE2  N 112.324 0.20 1 
       306 . 31 GLU H    H   7.890 0.03 1 
       307 . 31 GLU HA   H   4.160 0.03 1 
       308 . 31 GLU HB2  H   2.180 0.03 1 
       309 . 31 GLU HB3  H   2.320 0.03 1 
       310 . 31 GLU HG2  H   2.350 0.03 1 
       311 . 31 GLU HG3  H   2.560 0.03 1 
       312 . 31 GLU C    C 179.925 0.40 1 
       313 . 31 GLU CA   C  59.600 0.40 1 
       314 . 31 GLU CB   C  29.600 0.40 1 
       315 . 31 GLU CG   C  36.529 0.40 1 
       316 . 31 GLU N    N 120.270 0.20 1 
       317 . 32 ILE H    H   8.080 0.03 1 
       318 . 32 ILE HA   H   3.990 0.03 1 
       319 . 32 ILE HB   H   2.170 0.03 1 
       320 . 32 ILE HG12 H   1.088 0.03 1 
       321 . 32 ILE HG13 H   1.980 0.03 1 
       322 . 32 ILE HG2  H   1.237 0.03 1 
       323 . 32 ILE HD1  H   0.797 0.03 1 
       324 . 32 ILE C    C 178.020 0.40 1 
       325 . 32 ILE CA   C  65.300 0.40 1 
       326 . 32 ILE CB   C  37.700 0.40 1 
       327 . 32 ILE CG1  C  29.998 0.40 1 
       328 . 32 ILE CG2  C  19.060 0.40 1 
       329 . 32 ILE CD1  C  13.850 0.40 1 
       330 . 32 ILE N    N 121.100 0.20 1 
       331 . 33 ARG H    H   8.570 0.03 1 
       332 . 33 ARG HA   H   4.185 0.03 1 
       333 . 33 ARG HB2  H   1.707 0.03 1 
       334 . 33 ARG HB3  H   2.082 0.03 1 
       335 . 33 ARG HG2  H   1.600 0.03 1 
       336 . 33 ARG HG3  H   1.400 0.03 1 
       337 . 33 ARG HD2  H   2.600 0.03 1 
       338 . 33 ARG HD3  H   2.530 0.03 1 
       339 . 33 ARG C    C 177.520 0.40 1 
       340 . 33 ARG CA   C  58.600 0.40 1 
       341 . 33 ARG CB   C  28.865 0.40 1 
       342 . 33 ARG CG   C  25.685 0.40 1 
       343 . 33 ARG CD   C  42.032 0.40 1 
       344 . 33 ARG N    N 122.690 0.20 1 
       345 . 34 GLU H    H   8.230 0.03 1 
       346 . 34 GLU HA   H   4.120 0.03 1 
       347 . 34 GLU HB2  H   2.080 0.03 1 
       348 . 34 GLU HB3  H   2.210 0.03 1 
       349 . 34 GLU HG2  H   2.310 0.03 1 
       350 . 34 GLU HG3  H   2.560 0.03 1 
       351 . 34 GLU C    C 179.430 0.40 1 
       352 . 34 GLU CA   C  59.400 0.40 1 
       353 . 34 GLU CB   C  29.200 0.40 1 
       354 . 34 GLU CG   C  36.670 0.40 1 
       355 . 34 GLU N    N 118.585 0.20 1 
       356 . 35 ALA H    H   7.662 0.03 1 
       357 . 35 ALA HA   H   3.981 0.03 1 
       358 . 35 ALA HB   H   1.700 0.03 1 
       359 . 35 ALA C    C 177.469 0.40 1 
       360 . 35 ALA CA   C  54.959 0.40 1 
       361 . 35 ALA CB   C  17.500 0.40 1 
       362 . 35 ALA N    N 121.820 0.20 1 
       363 . 36 PHE H    H   8.460 0.03 1 
       364 . 36 PHE HA   H   3.180 0.03 1 
       365 . 36 PHE HB2  H   3.000 0.03 1 
       366 . 36 PHE HB3  H   3.370 0.03 1 
       367 . 36 PHE HD1  H   6.760 0.03 1 
       368 . 36 PHE HD2  H   6.760 0.03 1 
       369 . 36 PHE HE1  H   7.039 0.03 1 
       370 . 36 PHE HE2  H   7.039 0.03 1 
       371 . 36 PHE HZ   H   7.270 0.03 1 
       372 . 36 PHE C    C 176.400 0.40 1 
       373 . 36 PHE CA   C  62.050 0.40 1 
       374 . 36 PHE CB   C  39.400 0.40 1 
       375 . 36 PHE N    N 118.820 0.20 1 
       376 . 37 ASP H    H   8.380 0.03 1 
       377 . 37 ASP HA   H   4.280 0.03 1 
       378 . 37 ASP HB2  H   2.660 0.03 1 
       379 . 37 ASP HB3  H   2.660 0.03 1 
       380 . 37 ASP C    C 178.200 0.40 1 
       381 . 37 ASP CA   C  57.106 0.40 1 
       382 . 37 ASP CB   C  40.004 0.40 1 
       383 . 37 ASP N    N 116.434 0.20 1 
       384 . 38 LEU H    H   7.455 0.03 1 
       385 . 38 LEU HA   H   3.980 0.03 1 
       386 . 38 LEU HB2  H   1.520 0.03 1 
       387 . 38 LEU HB3  H   1.520 0.03 1 
       388 . 38 LEU HG   H   1.360 0.03 1 
       389 . 38 LEU HD1  H   0.825 0.03 1 
       390 . 38 LEU HD2  H   0.713 0.03 1 
       391 . 38 LEU C    C 178.930 0.40 1 
       392 . 38 LEU CA   C  57.200 0.40 1 
       393 . 38 LEU CB   C  41.670 0.40 1 
       394 . 38 LEU CG   C  26.435 0.40 1 
       395 . 38 LEU CD1  C  24.120 0.40 1 
       396 . 38 LEU CD2  C  24.800 0.40 1 
       397 . 38 LEU N    N 120.200 0.20 1 
       398 . 39 PHE H    H   7.590 0.03 1 
       399 . 39 PHE HA   H   4.630 0.03 1 
       400 . 39 PHE HB2  H   2.730 0.03 1 
       401 . 39 PHE HB3  H   2.900 0.03 1 
       402 . 39 PHE HD1  H   7.198 0.03 1 
       403 . 39 PHE HD2  H   7.198 0.03 1 
       404 . 39 PHE HE1  H   7.342 0.03 1 
       405 . 39 PHE HE2  H   7.342 0.03 1 
       406 . 39 PHE C    C 176.930 0.40 1 
       407 . 39 PHE CA   C  57.400 0.40 1 
       408 . 39 PHE CB   C  38.900 0.40 1 
       409 . 39 PHE N    N 115.860 0.20 1 
       410 . 40 ASP H    H   7.750 0.03 1 
       411 . 40 ASP HA   H   4.570 0.03 1 
       412 . 40 ASP HB2  H   1.615 0.03 1 
       413 . 40 ASP HB3  H   2.563 0.03 1 
       414 . 40 ASP C    C 177.360 0.40 1 
       415 . 40 ASP CA   C  52.174 0.40 1 
       416 . 40 ASP CB   C  38.900 0.40 1 
       417 . 40 ASP N    N 120.538 0.20 1 
       418 . 41 THR H    H   7.935 0.03 1 
       419 . 41 THR HA   H   4.060 0.03 1 
       420 . 41 THR HB   H   4.370 0.03 1 
       421 . 41 THR HG2  H   1.395 0.03 1 
       422 . 41 THR C    C 176.310 0.40 1 
       423 . 41 THR CA   C  64.850 0.40 1 
       424 . 41 THR CB   C  68.900 0.40 1 
       425 . 41 THR CG2  C  23.000 0.40 1 
       426 . 41 THR N    N 116.880 0.20 1 
       427 . 42 ASP H    H   8.025 0.03 1 
       428 . 42 ASP HA   H   4.790 0.03 1 
       429 . 42 ASP HB2  H   2.777 0.03 1 
       430 . 42 ASP HB3  H   3.152 0.03 1 
       431 . 42 ASP C    C 177.760 0.40 1 
       432 . 42 ASP CA   C  52.654 0.40 1 
       433 . 42 ASP CB   C  39.950 0.40 1 
       434 . 42 ASP N    N 117.310 0.20 1 
       435 . 43 GLY H    H   7.870 0.03 1 
       436 . 43 GLY HA2  H   3.870 0.03 1 
       437 . 43 GLY HA3  H   3.870 0.03 1 
       438 . 43 GLY C    C 175.310 0.40 1 
       439 . 43 GLY CA   C  47.080 0.40 1 
       440 . 43 GLY N    N 109.400 0.20 1 
       441 . 44 SER H    H   8.610 0.03 1 
       442 . 44 SER HA   H   4.263 0.03 1 
       443 . 44 SER HB2  H   4.280 0.03 1 
       444 . 44 SER HB3  H   4.031 0.03 1 
       445 . 44 SER C    C 176.010 0.40 1 
       446 . 44 SER CA   C  60.050 0.40 1 
       447 . 44 SER CB   C  64.720 0.40 1 
       448 . 44 SER N    N 116.380 0.20 1 
       449 . 45 GLY H    H  11.000 0.03 1 
       450 . 45 GLY HA2  H   3.758 0.03 1 
       451 . 45 GLY HA3  H   4.460 0.03 1 
       452 . 45 GLY C    C 173.080 0.40 1 
       453 . 45 GLY CA   C  45.350 0.40 1 
       454 . 45 GLY N    N 116.990 0.20 1 
       455 . 46 THR H    H   7.640 0.03 1 
       456 . 46 THR HA   H   5.070 0.03 1 
       457 . 46 THR HB   H   3.820 0.03 1 
       458 . 46 THR HG2  H   1.192 0.03 1 
       459 . 46 THR C    C 172.780 0.40 1 
       460 . 46 THR CA   C  58.570 0.40 1 
       461 . 46 THR CB   C  73.450 0.40 1 
       462 . 46 THR CG2  C  23.300 0.40 1 
       463 . 46 THR N    N 107.270 0.20 1 
       464 . 47 ILE H    H   9.945 0.03 1 
       465 . 47 ILE HA   H   4.940 0.03 1 
       466 . 47 ILE HB   H   1.819 0.03 1 
       467 . 47 ILE HG12 H   0.450 0.03 1 
       468 . 47 ILE HG13 H   0.965 0.03 1 
       469 . 47 ILE HG2  H   0.902 0.03 1 
       470 . 47 ILE HD1  H   0.258 0.03 1 
       471 . 47 ILE C    C 175.420 0.40 1 
       472 . 47 ILE CA   C  59.650 0.40 1 
       473 . 47 ILE CB   C  38.800 0.40 1 
       474 . 47 ILE CG1  C  27.500 0.40 1 
       475 . 47 ILE CG2  C  17.600 0.40 1 
       476 . 47 ILE CD1  C  14.000 0.40 1 
       477 . 47 ILE N    N 128.440 0.20 1 
       478 . 48 ASP H    H   8.990 0.03 1 
       479 . 48 ASP HA   H   4.840 0.03 1 
       480 . 48 ASP HB2  H   2.555 0.03 1 
       481 . 48 ASP HB3  H   3.311 0.03 1 
       482 . 48 ASP C    C 175.450 0.40 1 
       483 . 48 ASP CA   C  51.860 0.40 1 
       484 . 48 ASP CB   C  41.950 0.40 1 
       485 . 48 ASP N    N 129.300 0.20 1 
       486 . 49 ALA H    H   8.620 0.03 1 
       487 . 49 ALA HA   H   3.910 0.03 1 
       488 . 49 ALA HB   H   1.450 0.03 1 
       489 . 49 ALA C    C 180.040 0.40 1 
       490 . 49 ALA CA   C  56.030 0.40 1 
       491 . 49 ALA CB   C  18.600 0.40 1 
       492 . 49 ALA N    N 118.480 0.20 1 
       493 . 50 LYS H    H   8.050 0.03 1 
       494 . 50 LYS HA   H   4.080 0.03 1 
       495 . 50 LYS HB2  H   2.000 0.03 1 
       496 . 50 LYS HB3  H   2.000 0.03 1 
       497 . 50 LYS HG2  H   1.528 0.03 1 
       498 . 50 LYS HG3  H   1.528 0.03 1 
       499 . 50 LYS HD2  H   1.750 0.03 1 
       500 . 50 LYS HD3  H   1.750 0.03 1 
       501 . 50 LYS HE2  H   3.050 0.03 1 
       502 . 50 LYS HE3  H   3.050 0.03 1 
       503 . 50 LYS C    C 179.700 0.40 1 
       504 . 50 LYS CA   C  59.700 0.40 1 
       505 . 50 LYS CB   C  31.978 0.40 1 
       506 . 50 LYS CG   C  25.173 0.40 1 
       507 . 50 LYS CD   C  29.250 0.40 1 
       508 . 50 LYS CE   C  42.152 0.40 1 
       509 . 50 LYS N    N 119.900 0.20 1 
       510 . 51 GLU H    H   8.800 0.03 1 
       511 . 51 GLU HA   H   4.110 0.03 1 
       512 . 51 GLU HB2  H   2.180 0.03 1 
       513 . 51 GLU HB3  H   2.390 0.03 1 
       514 . 51 GLU HG2  H   2.570 0.03 1 
       515 . 51 GLU HG3  H   2.810 0.03 1 
       516 . 51 GLU C    C 180.780 0.40 1 
       517 . 51 GLU CA   C  58.300 0.40 1 
       518 . 51 GLU CB   C  30.280 0.40 1 
       519 . 51 GLU CG   C  36.240 0.40 1 
       520 . 51 GLU N    N 121.240 0.20 1 
       521 . 52 LEU H    H   9.060 0.03 1 
       522 . 52 LEU HA   H   3.900 0.03 1 
       523 . 52 LEU HB2  H   1.528 0.03 1 
       524 . 52 LEU HB3  H   1.868 0.03 1 
       525 . 52 LEU HG   H   1.610 0.03 1 
       526 . 52 LEU HD1  H   0.857 0.03 1 
       527 . 52 LEU HD2  H   0.892 0.03 1 
       528 . 52 LEU C    C 178.470 0.40 1 
       529 . 52 LEU CA   C  57.130 0.40 1 
       530 . 52 LEU CB   C  41.620 0.40 1 
       531 . 52 LEU CG   C  26.800 0.40 1 
       532 . 52 LEU CD1  C  22.620 0.40 1 
       533 . 52 LEU CD2  C  26.200 0.40 1 
       534 . 52 LEU N    N 121.081 0.20 1 
       535 . 53 LYS H    H   7.685 0.03 1 
       536 . 53 LYS HA   H   3.780 0.03 1 
       537 . 53 LYS HB2  H   1.965 0.03 1 
       538 . 53 LYS HB3  H   2.095 0.03 1 
       539 . 53 LYS HG2  H   1.433 0.03 1 
       540 . 53 LYS HG3  H   1.510 0.03 1 
       541 . 53 LYS HD2  H   1.766 0.03 1 
       542 . 53 LYS HD3  H   1.766 0.03 1 
       543 . 53 LYS HE2  H   2.977 0.03 1 
       544 . 53 LYS HE3  H   2.977 0.03 1 
       545 . 53 LYS C    C 178.250 0.40 1 
       546 . 53 LYS CA   C  60.650 0.40 1 
       547 . 53 LYS CB   C  32.320 0.40 1 
       548 . 53 LYS CG   C  25.310 0.40 1 
       549 . 53 LYS CD   C  29.538 0.40 1 
       550 . 53 LYS CE   C  41.900 0.40 1 
       551 . 53 LYS N    N 119.400 0.20 1 
       552 . 54 VAL H    H   7.350 0.03 1 
       553 . 54 VAL HA   H   3.621 0.03 1 
       554 . 54 VAL HB   H   2.165 0.03 1 
       555 . 54 VAL HG1  H   1.080 0.03 1 
       556 . 54 VAL HG2  H   1.160 0.03 1 
       557 . 54 VAL C    C 178.220 0.40 1 
       558 . 54 VAL CA   C  66.250 0.40 1 
       559 . 54 VAL CB   C  32.100 0.40 1 
       560 . 54 VAL CG1  C  21.350 0.40 1 
       561 . 54 VAL CG2  C  22.550 0.40 1 
       562 . 54 VAL N    N 117.580 0.20 1 
       563 . 55 ALA H    H   7.740 0.03 1 
       564 . 55 ALA HA   H   3.360 0.03 1 
       565 . 55 ALA HB   H   0.750 0.03 1 
       566 . 55 ALA C    C 178.760 0.40 1 
       567 . 55 ALA CA   C  54.798 0.40 1 
       568 . 55 ALA CB   C  17.550 0.40 1 
       569 . 55 ALA N    N 122.580 0.20 1 
       570 . 56 MET H    H   8.445 0.03 1 
       571 . 56 MET HA   H   4.125 0.03 1 
       572 . 56 MET HB2  H   1.930 0.03 1 
       573 . 56 MET HB3  H   2.104 0.03 1 
       574 . 56 MET HG2  H   2.435 0.03 1 
       575 . 56 MET HG3  H   2.592 0.03 1 
       576 . 56 MET HE   H   1.756 0.03 1 
       577 . 56 MET C    C 177.050 0.40 1 
       578 . 56 MET CA   C  58.650 0.40 1 
       579 . 56 MET CB   C  32.233 0.40 1 
       580 . 56 MET CG   C  33.550 0.40 1 
       581 . 56 MET CE   C  17.550 0.40 1 
       582 . 56 MET N    N 113.850 0.20 1 
       583 . 57 ARG H    H   7.840 0.03 1 
       584 . 57 ARG HA   H   4.495 0.03 1 
       585 . 57 ARG HB2  H   2.000 0.03 1 
       586 . 57 ARG HB3  H   2.000 0.03 1 
       587 . 57 ARG HG2  H   1.770 0.03 1 
       588 . 57 ARG HG3  H   1.850 0.03 1 
       589 . 57 ARG HD2  H   3.290 0.03 1 
       590 . 57 ARG HD3  H   3.290 0.03 1 
       591 . 57 ARG C    C 180.160 0.40 1 
       592 . 57 ARG CA   C  58.900 0.40 1 
       593 . 57 ARG CB   C  29.860 0.40 1 
       594 . 57 ARG CG   C  27.564 0.40 1 
       595 . 57 ARG CD   C  43.460 0.40 1 
       596 . 57 ARG N    N 119.220 0.20 1 
       597 . 58 ALA H    H   8.022 0.03 1 
       598 . 58 ALA HA   H   4.241 0.03 1 
       599 . 58 ALA HB   H   1.692 0.03 1 
       600 . 58 ALA C    C 179.080 0.40 1 
       601 . 58 ALA CA   C  54.789 0.40 1 
       602 . 58 ALA CB   C  18.300 0.40 1 
       603 . 58 ALA N    N 123.720 0.20 1 
       604 . 59 LEU H    H   7.750 0.03 1 
       605 . 59 LEU HA   H   4.362 0.03 1 
       606 . 59 LEU HB2  H   1.760 0.03 1 
       607 . 59 LEU HB3  H   1.960 0.03 2 
       608 . 59 LEU HG   H   1.960 0.03 2 
       609 . 59 LEU HD1  H   0.950 0.03 1 
       610 . 59 LEU HD2  H   1.030 0.03 1 
       611 . 59 LEU C    C 176.770 0.40 1 
       612 . 59 LEU CA   C  54.925 0.40 1 
       613 . 59 LEU CB   C  42.561 0.40 1 
       614 . 59 LEU CG   C  26.480 0.40 1 
       615 . 59 LEU CD1  C  25.750 0.40 1 
       616 . 59 LEU CD2  C  22.800 0.40 1 
       617 . 59 LEU N    N 116.480 0.20 1 
       618 . 60 GLY H    H   7.732 0.03 1 
       619 . 60 GLY HA2  H   3.735 0.03 1 
       620 . 60 GLY HA3  H   4.120 0.03 1 
       621 . 60 GLY C    C 174.290 0.40 1 
       622 . 60 GLY CA   C  45.300 0.40 1 
       623 . 60 GLY N    N 105.720 0.20 1 
       624 . 61 PHE H    H   8.100 0.03 1 
       625 . 61 PHE HA   H   4.790 0.03 1 
       626 . 61 PHE HB2  H   2.750 0.03 1 
       627 . 61 PHE HB3  H   3.096 0.03 1 
       628 . 61 PHE HD1  H   7.251 0.03 1 
       629 . 61 PHE HD2  H   7.251 0.03 1 
       630 . 61 PHE HE1  H   7.297 0.03 1 
       631 . 61 PHE HE2  H   7.297 0.03 1 
       632 . 61 PHE C    C 174.500 0.40 1 
       633 . 61 PHE CA   C  56.538 0.40 1 
       634 . 61 PHE CB   C  40.516 0.40 1 
       635 . 61 PHE N    N 119.820 0.20 1 
       636 . 62 GLU H    H   8.680 0.03 1 
       637 . 62 GLU HA   H   4.700 0.03 1 
       638 . 62 GLU HB2  H   2.070 0.03 1 
       639 . 62 GLU HB3  H   1.927 0.03 1 
       640 . 62 GLU HG2  H   2.226 0.03 1 
       641 . 62 GLU HG3  H   2.226 0.03 1 
       642 . 62 GLU CA   C  53.468 0.40 1 
       643 . 62 GLU CB   C  30.154 0.40 1 
       644 . 62 GLU CG   C  36.100 0.40 1 
       645 . 62 GLU N    N 121.632 0.20 1 
       646 . 63 PRO HA   H   4.567 0.03 1 
       647 . 63 PRO HB2  H   2.000 0.03 1 
       648 . 63 PRO HB3  H   2.100 0.03 1 
       649 . 63 PRO HG2  H   1.930 0.03 1 
       650 . 63 PRO HG3  H   2.000 0.03 1 
       651 . 63 PRO HD2  H   3.620 0.03 1 
       652 . 63 PRO HD3  H   3.680 0.03 1 
       653 . 63 PRO C    C 176.630 0.40 1 
       654 . 63 PRO CA   C  62.600 0.40 1 
       655 . 63 PRO CB   C  31.800 0.40 1 
       656 . 63 PRO CG   C  27.450 0.40 1 
       657 . 63 PRO CD   C  50.300 0.40 1 
       658 . 64 LYS H    H   8.610 0.03 1 
       659 . 64 LYS HA   H   4.480 0.03 1 
       660 . 64 LYS HB2  H   1.730 0.03 1 
       661 . 64 LYS HB3  H   2.175 0.03 1 
       662 . 64 LYS HG2  H   1.584 0.03 1 
       663 . 64 LYS HG3  H   1.584 0.03 1 
       664 . 64 LYS HD2  H   1.750 0.03 1 
       665 . 64 LYS HD3  H   1.750 0.03 1 
       666 . 64 LYS HE2  H   3.020 0.03 1 
       667 . 64 LYS HE3  H   3.020 0.03 1 
       668 . 64 LYS CA   C  55.620 0.40 1 
       669 . 64 LYS CB   C  33.773 0.40 1 
       670 . 64 LYS CG   C  25.400 0.40 1 
       671 . 64 LYS CD   C  29.300 0.40 1 
       672 . 64 LYS CE   C  41.900 0.40 1 
       673 . 64 LYS N    N 121.340 0.20 1 
       674 . 65 LYS HA   H   4.022 0.03 1 
       675 . 65 LYS HB2  H   1.907 0.03 1 
       676 . 65 LYS HB3  H   1.982 0.03 1 
       677 . 65 LYS HG2  H   1.530 0.03 1 
       678 . 65 LYS HG3  H   1.530 0.03 1 
       679 . 65 LYS HD2  H   1.760 0.03 1 
       680 . 65 LYS HD3  H   1.760 0.03 1 
       681 . 65 LYS HE2  H   3.010 0.03 1 
       682 . 65 LYS HE3  H   3.010 0.03 1 
       683 . 65 LYS C    C 178.730 0.40 1 
       684 . 65 LYS CA   C  59.966 0.40 1 
       685 . 65 LYS CB   C  32.419 0.40 1 
       686 . 65 LYS CG   C  24.843 0.40 1 
       687 . 65 LYS CD   C  29.372 0.40 1 
       688 . 65 LYS CE   C  41.900 0.40 1 
       689 . 66 GLU H    H   9.400 0.03 1 
       690 . 66 GLU HA   H   4.140 0.03 1 
       691 . 66 GLU HB2  H   2.100 0.03 1 
       692 . 66 GLU HB3  H   2.100 0.03 1 
       693 . 66 GLU HG2  H   2.400 0.03 1 
       694 . 66 GLU HG3  H   2.400 0.03 1 
       695 . 66 GLU C    C 177.630 0.40 1 
       696 . 66 GLU CA   C  59.300 0.40 1 
       697 . 66 GLU CB   C  29.050 0.40 1 
       698 . 66 GLU CG   C  36.420 0.40 1 
       699 . 66 GLU N    N 118.790 0.20 1 
       700 . 67 GLU H    H   7.640 0.03 1 
       701 . 67 GLU HA   H   4.185 0.03 1 
       702 . 67 GLU HB2  H   2.140 0.03 1 
       703 . 67 GLU HB3  H   2.258 0.03 1 
       704 . 67 GLU HG2  H   2.363 0.03 1 
       705 . 67 GLU HG3  H   2.363 0.03 1 
       706 . 67 GLU C    C 178.870 0.40 1 
       707 . 67 GLU CA   C  58.500 0.40 1 
       708 . 67 GLU CB   C  29.850 0.40 1 
       709 . 67 GLU CG   C  36.754 0.40 1 
       710 . 67 GLU N    N 119.450 0.20 1 
       711 . 68 ILE H    H   7.855 0.03 1 
       712 . 68 ILE HA   H   3.775 0.03 1 
       713 . 68 ILE HB   H   2.136 0.03 1 
       714 . 68 ILE HG12 H   1.330 0.03 1 
       715 . 68 ILE HG13 H   1.540 0.03 1 
       716 . 68 ILE HG2  H   0.990 0.03 1 
       717 . 68 ILE HD1  H   0.785 0.03 1 
       718 . 68 ILE C    C 178.510 0.40 1 
       719 . 68 ILE CA   C  63.500 0.40 1 
       720 . 68 ILE CB   C  36.540 0.40 1 
       721 . 68 ILE CG1  C  28.218 0.40 1 
       722 . 68 ILE CG2  C  17.680 0.40 1 
       723 . 68 ILE CD1  C  11.540 0.40 1 
       724 . 68 ILE N    N 121.420 0.20 1 
       725 . 69 LYS H    H   7.820 0.03 1 
       726 . 69 LYS HA   H   3.943 0.03 1 
       727 . 69 LYS HB2  H   1.895 0.03 1 
       728 . 69 LYS HB3  H   1.895 0.03 1 
       729 . 69 LYS HG2  H   1.574 0.03 1 
       730 . 69 LYS HG3  H   1.442 0.03 1 
       731 . 69 LYS HD2  H   1.710 0.03 1 
       732 . 69 LYS HD3  H   1.710 0.03 1 
       733 . 69 LYS HE2  H   3.010 0.03 1 
       734 . 69 LYS HE3  H   3.010 0.03 1 
       735 . 69 LYS C    C 179.300 0.40 1 
       736 . 69 LYS CA   C  59.800 0.40 1 
       737 . 69 LYS CB   C  32.100 0.40 1 
       738 . 69 LYS CG   C  24.983 0.40 1 
       739 . 69 LYS CD   C  29.325 0.40 1 
       740 . 69 LYS CE   C  41.950 0.40 1 
       741 . 69 LYS N    N 119.060 0.20 1 
       742 . 70 LYS H    H   7.720 0.03 1 
       743 . 70 LYS HA   H   4.080 0.03 1 
       744 . 70 LYS HB2  H   1.930 0.03 1 
       745 . 70 LYS HB3  H   1.930 0.03 1 
       746 . 70 LYS HG2  H   1.546 0.03 1 
       747 . 70 LYS HG3  H   1.445 0.03 1 
       748 . 70 LYS HD2  H   1.730 0.03 1 
       749 . 70 LYS HD3  H   1.730 0.03 1 
       750 . 70 LYS HE2  H   2.990 0.03 1 
       751 . 70 LYS HE3  H   2.990 0.03 1 
       752 . 70 LYS C    C 178.450 0.40 1 
       753 . 70 LYS CA   C  59.200 0.40 1 
       754 . 70 LYS CB   C  32.400 0.40 1 
       755 . 70 LYS CG   C  24.934 0.40 1 
       756 . 70 LYS CD   C  29.358 0.40 1 
       757 . 70 LYS CE   C  42.104 0.40 1 
       758 . 70 LYS N    N 119.700 0.20 1 
       759 . 71 MET H    H   8.022 0.03 1 
       760 . 71 MET HA   H   4.130 0.03 1 
       761 . 71 MET HB2  H   2.094 0.03 1 
       762 . 71 MET HB3  H   2.180 0.03 1 
       763 . 71 MET HG2  H   2.560 0.03 1 
       764 . 71 MET HG3  H   2.450 0.03 1 
       765 . 71 MET HE   H   1.900 0.03 1 
       766 . 71 MET C    C 178.500 0.40 1 
       767 . 71 MET CA   C  58.950 0.40 1 
       768 . 71 MET CB   C  32.600 0.40 1 
       769 . 71 MET CG   C  32.146 0.40 1 
       770 . 71 MET CE   C  17.200 0.40 1 
       771 . 71 MET N    N 119.620 0.20 1 
       772 . 72 ILE H    H   8.280 0.03 1 
       773 . 72 ILE HA   H   3.493 0.03 1 
       774 . 72 ILE HB   H   1.918 0.03 1 
       775 . 72 ILE HG12 H   0.893 0.03 1 
       776 . 72 ILE HG13 H   1.769 0.03 1 
       777 . 72 ILE HG2  H   0.837 0.03 1 
       778 . 72 ILE HD1  H   0.778 0.03 1 
       779 . 72 ILE C    C 177.360 0.40 1 
       780 . 72 ILE CA   C  65.850 0.40 1 
       781 . 72 ILE CB   C  37.431 0.40 1 
       782 . 72 ILE CG1  C  30.100 0.40 1 
       783 . 72 ILE CG2  C  16.730 0.40 1 
       784 . 72 ILE CD1  C  12.640 0.40 1 
       785 . 72 ILE N    N 117.850 0.20 1 
       786 . 73 SER H    H   7.980 0.03 1 
       787 . 73 SER HA   H   4.280 0.03 1 
       788 . 73 SER HB2  H   4.036 0.03 1 
       789 . 73 SER HB3  H   4.036 0.03 1 
       790 . 73 SER C    C 175.930 0.40 1 
       791 . 73 SER CA   C  61.600 0.40 1 
       792 . 73 SER CB   C  62.950 0.40 1 
       793 . 73 SER N    N 113.768 0.20 1 
       794 . 74 GLU H    H   7.670 0.03 1 
       795 . 74 GLU HA   H   4.160 0.03 1 
       796 . 74 GLU HB2  H   2.058 0.03 1 
       797 . 74 GLU HB3  H   2.174 0.03 1 
       798 . 74 GLU HG2  H   2.250 0.03 1 
       799 . 74 GLU HG3  H   2.450 0.03 1 
       800 . 74 GLU C    C 177.820 0.40 1 
       801 . 74 GLU CA   C  58.400 0.40 1 
       802 . 74 GLU CB   C  30.400 0.40 1 
       803 . 74 GLU CG   C  36.380 0.40 1 
       804 . 74 GLU N    N 118.780 0.20 1 
       805 . 75 ILE H    H   7.665 0.03 1 
       806 . 75 ILE HA   H   4.272 0.03 1 
       807 . 75 ILE HB   H   1.960 0.03 1 
       808 . 75 ILE HG12 H   1.400 0.03 1 
       809 . 75 ILE HG13 H   1.528 0.03 1 
       810 . 75 ILE HG2  H   0.950 0.03 1 
       811 . 75 ILE HD1  H   0.815 0.03 1 
       812 . 75 ILE C    C 176.750 0.40 1 
       813 . 75 ILE CA   C  61.200 0.40 1 
       814 . 75 ILE CB   C  39.090 0.40 1 
       815 . 75 ILE CG1  C  27.013 0.40 1 
       816 . 75 ILE CG2  C  19.050 0.40 1 
       817 . 75 ILE CD1  C  13.450 0.40 1 
       818 . 75 ILE N    N 114.226 0.20 1 
       819 . 76 ASP H    H   8.230 0.03 1 
       820 . 76 ASP HA   H   4.622 0.03 1 
       821 . 76 ASP HB2  H   2.400 0.03 1 
       822 . 76 ASP HB3  H   2.950 0.03 1 
       823 . 76 ASP C    C 177.035 0.40 1 
       824 . 76 ASP CA   C  53.400 0.40 1 
       825 . 76 ASP CB   C  40.160 0.40 1 
       826 . 76 ASP N    N 120.700 0.20 1 
       827 . 77 LYS H    H   8.360 0.03 1 
       828 . 77 LYS HA   H   4.272 0.03 1 
       829 . 77 LYS HB2  H   1.990 0.03 1 
       830 . 77 LYS HB3  H   1.990 0.03 1 
       831 . 77 LYS HG2  H   1.620 0.03 1 
       832 . 77 LYS HG3  H   1.620 0.03 1 
       833 . 77 LYS HD2  H   1.762 0.03 1 
       834 . 77 LYS HD3  H   1.762 0.03 1 
       835 . 77 LYS HE2  H   3.090 0.03 1 
       836 . 77 LYS HE3  H   3.090 0.03 1 
       837 . 77 LYS C    C 177.360 0.40 1 
       838 . 77 LYS CA   C  57.600 0.40 1 
       839 . 77 LYS CB   C  33.064 0.40 1 
       840 . 77 LYS CG   C  24.617 0.40 1 
       841 . 77 LYS CD   C  28.807 0.40 1 
       842 . 77 LYS CE   C  42.225 0.40 1 
       843 . 77 LYS N    N 126.750 0.20 1 
       844 . 78 ASP H    H   8.070 0.03 1 
       845 . 78 ASP HA   H   4.785 0.03 1 
       846 . 78 ASP HB2  H   2.760 0.03 1 
       847 . 78 ASP HB3  H   3.153 0.03 1 
       848 . 78 ASP C    C 177.550 0.40 1 
       849 . 78 ASP CA   C  52.394 0.40 1 
       850 . 78 ASP CB   C  40.300 0.40 1 
       851 . 78 ASP N    N 115.307 0.20 1 
       852 . 79 GLY H    H   7.855 0.03 1 
       853 . 79 GLY HA2  H   3.800 0.03 1 
       854 . 79 GLY HA3  H   3.930 0.03 1 
       855 . 79 GLY C    C 175.266 0.40 1 
       856 . 79 GLY CA   C  46.950 0.40 1 
       857 . 79 GLY N    N 109.000 0.20 1 
       858 . 80 SER H    H   8.480 0.03 1 
       859 . 80 SER HA   H   4.260 0.03 1 
       860 . 80 SER HB2  H   4.280 0.03 1 
       861 . 80 SER HB3  H   4.035 0.03 1 
       862 . 80 SER C    C 176.000 0.40 1 
       863 . 80 SER CA   C  60.080 0.40 1 
       864 . 80 SER CB   C  64.850 0.40 1 
       865 . 80 SER N    N 116.550 0.20 1 
       866 . 81 GLY H    H  10.890 0.03 1 
       867 . 81 GLY HA2  H   3.465 0.03 1 
       868 . 81 GLY HA3  H   4.265 0.03 1 
       869 . 81 GLY C    C 172.660 0.40 1 
       870 . 81 GLY CA   C  45.450 0.40 1 
       871 . 81 GLY N    N 116.590 0.20 1 
       872 . 82 THR H    H   7.700 0.03 1 
       873 . 82 THR HA   H   4.700 0.03 1 
       874 . 82 THR HB   H   3.910 0.03 1 
       875 . 82 THR HG2  H   1.180 0.03 1 
       876 . 82 THR C    C 172.780 0.40 1 
       877 . 82 THR CA   C  58.300 0.40 1 
       878 . 82 THR CB   C  73.450 0.40 1 
       879 . 82 THR CG2  C  22.060 0.40 1 
       880 . 82 THR N    N 106.780 0.20 1 
       881 . 83 ILE H    H   9.590 0.03 1 
       882 . 83 ILE HA   H   5.125 0.03 1 
       883 . 83 ILE HB   H   2.250 0.03 1 
       884 . 83 ILE HG12 H   1.465 0.03 1 
       885 . 83 ILE HG13 H   1.235 0.03 1 
       886 . 83 ILE HG2  H   1.290 0.03 1 
       887 . 83 ILE HD1  H   0.806 0.03 1 
       888 . 83 ILE C    C 175.650 0.40 1 
       889 . 83 ILE CA   C  59.150 0.40 1 
       890 . 83 ILE CB   C  38.750 0.40 1 
       891 . 83 ILE CG1  C  27.400 0.40 1 
       892 . 83 ILE CG2  C  18.350 0.40 1 
       893 . 83 ILE CD1  C  13.100 0.40 1 
       894 . 83 ILE N    N 127.210 0.20 1 
       895 . 84 ASP H    H   9.260 0.03 1 
       896 . 84 ASP HA   H   5.234 0.03 1 
       897 . 84 ASP HB2  H   2.690 0.03 1 
       898 . 84 ASP HB3  H   3.368 0.03 1 
       899 . 84 ASP C    C 175.690 0.40 1 
       900 . 84 ASP CA   C  52.690 0.40 1 
       901 . 84 ASP CB   C  41.546 0.40 1 
       902 . 84 ASP N    N 129.580 0.20 1 
       903 . 85 PHE H    H   8.830 0.03 1 
       904 . 85 PHE HA   H   3.495 0.03 1 
       905 . 85 PHE HB2  H   2.227 0.03 1 
       906 . 85 PHE HB3  H   2.586 0.03 1 
       907 . 85 PHE HD1  H   6.713 0.03 1 
       908 . 85 PHE HD2  H   6.713 0.03 1 
       909 . 85 PHE HE1  H   7.180 0.03 1 
       910 . 85 PHE HE2  H   7.180 0.03 1 
       911 . 85 PHE C    C 176.270 0.40 1 
       912 . 85 PHE CA   C  62.250 0.40 1 
       913 . 85 PHE CB   C  38.471 0.40 1 
       914 . 85 PHE N    N 118.700 0.20 1 
       915 . 86 GLU H    H   8.030 0.03 1 
       916 . 86 GLU HA   H   3.670 0.03 1 
       917 . 86 GLU HB2  H   2.100 0.03 1 
       918 . 86 GLU HB3  H   2.100 0.03 1 
       919 . 86 GLU HG2  H   2.332 0.03 1 
       920 . 86 GLU HG3  H   2.332 0.03 1 
       921 . 86 GLU C    C 180.380 0.40 1 
       922 . 86 GLU CA   C  60.000 0.40 1 
       923 . 86 GLU CB   C  28.717 0.40 1 
       924 . 86 GLU CG   C  36.805 0.40 1 
       925 . 86 GLU N    N 118.390 0.20 1 
       926 . 87 GLU H    H   8.622 0.03 1 
       927 . 87 GLU HA   H   4.110 0.03 1 
       928 . 87 GLU HB2  H   2.080 0.03 1 
       929 . 87 GLU HB3  H   2.550 0.03 1 
       930 . 87 GLU HG2  H   2.480 0.03 1 
       931 . 87 GLU HG3  H   2.990 0.03 1 
       932 . 87 GLU C    C 178.920 0.40 1 
       933 . 87 GLU CA   C  58.650 0.40 1 
       934 . 87 GLU CB   C  29.600 0.40 1 
       935 . 87 GLU CG   C  36.839 0.40 1 
       936 . 87 GLU N    N 121.269 0.20 1 
       937 . 88 PHE H    H   8.900 0.03 1 
       938 . 88 PHE HA   H   4.005 0.03 1 
       939 . 88 PHE HB2  H   3.270 0.03 1 
       940 . 88 PHE HB3  H   3.270 0.03 1 
       941 . 88 PHE HD1  H   7.103 0.03 1 
       942 . 88 PHE HD2  H   7.103 0.03 1 
       943 . 88 PHE HE1  H   7.454 0.03 1 
       944 . 88 PHE HE2  H   7.454 0.03 1 
       945 . 88 PHE HZ   H   7.358 0.03 1 
       946 . 88 PHE C    C 176.852 0.40 1 
       947 . 88 PHE CA   C  61.500 0.40 1 
       948 . 88 PHE CB   C  40.488 0.40 1 
       949 . 88 PHE N    N 123.100 0.20 1 
       950 . 89 LEU H    H   8.830 0.03 1 
       951 . 89 LEU HA   H   3.655 0.03 1 
       952 . 89 LEU HB2  H   1.214 0.03 1 
       953 . 89 LEU HB3  H   1.490 0.03 1 
       954 . 89 LEU HG   H   1.288 0.03 1 
       955 . 89 LEU HD1  H   0.787 0.03 1 
       956 . 89 LEU HD2  H   0.787 0.03 1 
       957 . 89 LEU C    C 179.930 0.40 1 
       958 . 89 LEU CA   C  58.600 0.40 1 
       959 . 89 LEU CB   C  41.266 0.40 1 
       960 . 89 LEU CG   C  26.800 0.40 1 
       961 . 89 LEU CD1  C  25.500 0.40 1 
       962 . 89 LEU CD2  C  25.200 0.40 1 
       963 . 89 LEU N    N 120.600 0.20 1 
       964 . 90 THR H    H   7.860 0.03 1 
       965 . 90 THR HA   H   3.786 0.03 1 
       966 . 90 THR HB   H   4.378 0.03 1 
       967 . 90 THR HG2  H   1.246 0.03 1 
       968 . 90 THR C    C 175.886 0.40 1 
       969 . 90 THR CA   C  66.800 0.40 1 
       970 . 90 THR CB   C  68.400 0.40 1 
       971 . 90 THR CG2  C  21.840 0.40 1 
       972 . 90 THR N    N 116.920 0.20 1 
       973 . 91 MET H    H   7.665 0.03 1 
       974 . 91 MET HA   H   3.970 0.03 1 
       975 . 91 MET HB2  H   2.050 0.03 1 
       976 . 91 MET HB3  H   2.220 0.03 1 
       977 . 91 MET HG2  H   2.270 0.03 1 
       978 . 91 MET HG3  H   2.520 0.03 1 
       979 . 91 MET HE   H   1.723 0.03 1 
       980 . 91 MET C    C 177.836 0.40 1 
       981 . 91 MET CA   C  59.000 0.40 1 
       982 . 91 MET CB   C  32.520 0.40 1 
       983 . 91 MET CG   C  31.650 0.40 1 
       984 . 91 MET CE   C  17.400 0.40 1 
       985 . 91 MET N    N 122.010 0.20 1 
       986 . 92 MET H    H   8.110 0.03 1 
       987 . 92 MET HA   H   4.312 0.03 1 
       988 . 92 MET HB2  H   1.876 0.03 1 
       989 . 92 MET HB3  H   1.940 0.03 1 
       990 . 92 MET HG2  H   1.950 0.03 1 
       991 . 92 MET HG3  H   1.950 0.03 1 
       992 . 92 MET HE   H   1.960 0.03 1 
       993 . 92 MET C    C 178.370 0.40 1 
       994 . 92 MET CA   C  56.064 0.40 1 
       995 . 92 MET CB   C  31.730 0.40 1 
       996 . 92 MET CG   C  32.600 0.40 1 
       997 . 92 MET CE   C  16.850 0.40 1 
       998 . 92 MET N    N 115.500 0.20 1 
       999 . 93 THR H    H   7.890 0.03 1 
      1000 . 93 THR HA   H   4.297 0.03 1 
      1001 . 93 THR HB   H   4.335 0.03 1 
      1002 . 93 THR HG2  H   1.220 0.03 1 
      1003 . 93 THR C    C 175.390 0.40 1 
      1004 . 93 THR CA   C  63.220 0.40 1 
      1005 . 93 THR CB   C  69.800 0.40 1 
      1006 . 93 THR CG2  C  21.800 0.40 1 
      1007 . 93 THR N    N 110.800 0.20 1 
      1008 . 94 ALA H    H   7.570 0.03 1 
      1009 . 94 ALA HA   H   4.380 0.03 1 
      1010 . 94 ALA HB   H   1.500 0.03 1 
      1011 . 94 ALA C    C 178.035 0.40 1 
      1012 . 94 ALA CA   C  53.460 0.40 1 
      1013 . 94 ALA CB   C  19.350 0.40 1 
      1014 . 94 ALA N    N 123.900 0.20 1 
      1015 . 95 LYS H    H   7.848 0.03 1 
      1016 . 95 LYS HA   H   4.440 0.03 1 
      1017 . 95 LYS HB2  H   1.815 0.03 1 
      1018 . 95 LYS HB3  H   1.976 0.03 1 
      1019 . 95 LYS HG2  H   1.444 0.03 1 
      1020 . 95 LYS HG3  H   1.444 0.03 1 
      1021 . 95 LYS HD2  H   1.641 0.03 1 
      1022 . 95 LYS HD3  H   1.641 0.03 1 
      1023 . 95 LYS HE2  H   2.890 0.03 1 
      1024 . 95 LYS HE3  H   2.890 0.03 1 
      1025 . 95 LYS C    C 175.730 0.40 1 
      1026 . 95 LYS CA   C  55.765 0.40 1 
      1027 . 95 LYS CB   C  32.968 0.40 1 
      1028 . 95 LYS CG   C  24.577 0.40 1 
      1029 . 95 LYS CD   C  28.760 0.40 1 
      1030 . 95 LYS CE   C  42.144 0.40 1 
      1031 . 95 LYS N    N 117.721 0.20 1 
      1032 . 96 MET H    H   7.600 0.03 1 
      1033 . 96 MET HA   H   4.257 0.03 1 
      1034 . 96 MET HB2  H   1.970 0.03 1 
      1035 . 96 MET HB3  H   2.137 0.03 1 
      1036 . 96 MET HG2  H   2.555 0.03 1 
      1037 . 96 MET HG3  H   2.555 0.03 1 
      1038 . 96 MET HE   H   2.055 0.03 1 
      1039 . 96 MET CA   C  57.328 0.40 1 
      1040 . 96 MET CB   C  34.100 0.40 1 
      1041 . 96 MET CG   C  32.720 0.40 1 
      1042 . 96 MET CE   C  17.200 0.40 1 
      1043 . 96 MET N    N 125.770 0.20 1 

   stop_

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