data_16945

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

save_entry_information
   _Saveframe_category      entry_information

   _Entry_title            
;
solution structure of Ca-free chicken parvalbumin 3 (CPV3)
;
   _BMRB_accession_number   16945
   _BMRB_flat_file_name     bmr16945.str
   _Entry_type              original
   _Submission_date         2010-05-23
   _Accession_date          2010-05-23
   _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 Henzl  Michael T  . 
      2 Tanner John    J. . 
      3 Tan    Anmin   .  . 

   stop_

   loop_
      _Saveframe_category_type
      _Saveframe_category_type_count

      assigned_chemical_shifts 1 

   stop_

   loop_
      _Data_type
      _Data_type_count

      "1H chemical shifts"  645 
      "13C chemical shifts" 431 
      "15N chemical shifts" 120 

   stop_

   loop_
      _Revision_date
      _Revision_keyword
      _Revision_author
      _Revision_detail

      2011-05-05 original author . 

   stop_

   loop_
      _Related_BMRB_accession_number
      _Relationship

      16955 'calcium-bound CPV3' 

   stop_

   _Original_release_date   2011-05-05

save_


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

save_citations
   _Saveframe_category           entry_citation

   _Citation_full                .
   _Citation_title              'Solution structures of chicken parvalbumin 3 in the Ca(2+)-free and Ca(2+)-bound states.'
   _Citation_status              published
   _Citation_type                journal
   _CAS_abstract_code            .
   _MEDLINE_UI_code              .
   _PubMed_ID                    21287610

   loop_
      _Author_ordinal
      _Author_family_name
      _Author_given_name
      _Author_middle_initials
      _Author_family_title

      1 Henzl  Michael T. . 
      2 Tanner John    J. . 
      3 Tan    Anmin   .  . 

   stop_

   _Journal_abbreviation         Proteins
   _Journal_name_full            Proteins
   _Journal_volume               79
   _Journal_issue                3
   _Journal_CSD                  .
   _Book_chapter_title           .
   _Book_volume                  .
   _Book_series                  .
   _Book_ISBN                    .
   _Conference_state_province    .
   _Conference_abstract_number   .
   _Page_first                   752
   _Page_last                    764
   _Year                         2011
   _Details                      .

save_


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

save_assembly
   _Saveframe_category         molecular_system

   _Mol_system_name           'chicken parvalbumin 3'
   _Enzyme_commission_number   .

   loop_
      _Mol_system_component_name
      _Mol_label

      CPV3 $ca-free_CPV3 

   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_ca-free_CPV3
   _Saveframe_category                          monomeric_polymer

   _Mol_type                                    polymer
   _Mol_polymer_class                           protein
   _Name_common                                 ca-free_CPV3
   _Molecular_mass                              11972.382
   _Mol_thiol_state                            'all free'
   _Details                                     .

   	##############################
   	#  Polymer residue sequence  #
   	##############################
   
      _Residue_count                               108
   _Mol_residue_sequence                       
;
SLTDILSPSDIAAALRDCQA
PDSFSPKKFFQISGMSKKSS
SQLKEIFRILDNDQSGFIEE
DELKYFLQRFESGARVLTAS
ETKTFLAAADHDGDGKIGAE
EFQEMVQS
;

   loop_
      _Residue_seq_code
      _Residue_label

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

   stop_

   _Sequence_homology_query_date                .
   _Sequence_homology_query_revised_last_date   2015-08-12

   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        16955  ca_bound_CPV3                                                        100.00 108 100.00 100.00 8.41e-70 
      PDB  2KYC          "Solution Structure Of Ca-Free Chicken Parvalbumin 3 (Cpv3)"          100.00 108 100.00 100.00 8.41e-70 
      PDB  2KYF          "Solution Structure Of Calcium-Bound Cpv3"                            100.00 108 100.00 100.00 8.41e-70 
      GB   AAA17518      "parvalbumin 3 [Gallus gallus]"                                       100.00 109  99.07  99.07 4.27e-69 
      GB   EOB00975      "Parvalbumin, thymic CPV3, partial [Anas platyrhynchos]"               92.59 101  98.00  99.00 1.10e-62 
      GB   KFO11064      "Parvalbumin, thymic CPV3 [Balearica regulorum gibbericeps]"          100.00 109  97.22  97.22 2.58e-67 
      GB   KFO59073      "Parvalbumin, thymic CPV3 [Corvus brachyrhynchos]"                    100.00 109  97.22  98.15 4.45e-68 
      GB   KFO79938      "Parvalbumin, thymic CPV3 [Cuculus canorus]"                          100.00 109  99.07  99.07 4.27e-69 
      REF  NP_989753     "parvalbumin, thymic CPV3 [Gallus gallus]"                            100.00 109  99.07  99.07 4.27e-69 
      REF  XP_002197013  "PREDICTED: parvalbumin, thymic CPV3 [Taeniopygia guttata]"           100.00 109  97.22  98.15 4.45e-68 
      REF  XP_003210592  "PREDICTED: parvalbumin, thymic CPV3 [Meleagris gallopavo]"           100.00 109  99.07  99.07 4.27e-69 
      REF  XP_005020103  "PREDICTED: parvalbumin, thymic CPV3 [Anas platyrhynchos]"            100.00 128  98.15  99.07 1.30e-68 
      REF  XP_005145344  "PREDICTED: parvalbumin, thymic CPV3 [Melopsittacus undulatus]"       100.00 109  97.22  99.07 2.53e-68 
      SP   P43305        "RecName: Full=Parvalbumin, thymic CPV3; AltName: Full=Parvalbumin-3" 100.00 109  99.07  99.07 4.27e-69 

   stop_

save_


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

save_natural_source
   _Saveframe_category   natural_source


   loop_
      _Mol_label
      _Organism_name_common
      _NCBI_taxonomy_ID
      _Superkingdom
      _Kingdom
      _Genus
      _Species

      $ca-free_CPV3 Chicken 9031 Eukaryota Metazoa Gallus gallus 

   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

      $ca-free_CPV3 'recombinant technology' . Escherichia coli . pET11 

   stop_

save_


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

save_sample_1
   _Saveframe_category   sample

   _Sample_type          solution
   _Details             '0.15 M NaCl, 0.01 M Mes, pH 6.0, 0.1% sodium azide, 10% D2O'

   loop_
      _Mol_label
      _Concentration_value
      _Concentration_value_units
      _Isotopic_labeling

      $ca-free_CPV3       3.0 mM '[U-98% 13C; U-98% 15N]' 
      'sodium chloride' 150   mM 'natural abundance'      
       MES               10   mM 'natural abundance'      
       D2O               10   %  'natural abundance'      
      'sodium azide'      0.1 %  'natural abundance'      
       H2O               90   %  'natural abundance'      

   stop_

save_


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

save_CYANA
   _Saveframe_category   software

   _Name                 CYANA
   _Version              2.1

   loop_
      _Vendor
      _Address
      _Electronic_address

      'Guntert, Mumenthaler and Wuthrich' . . 

   stop_

   loop_
      _Task

      'structure solution' 

   stop_

   _Details              .

save_


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

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

save_spectrometer_1
   _Saveframe_category   NMR_spectrometer

   _Manufacturer         Varian
   _Model                Inova
   _Field_strength       600
   _Details              .

save_


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

save_3D_CBCA(CO)NH_1
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D CBCA(CO)NH'
   _Sample_label        $sample_1

save_


save_3D_HNCACB_2
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D HNCACB'
   _Sample_label        $sample_1

save_


save_3D_HNCA_3
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D HNCA'
   _Sample_label        $sample_1

save_


save_3D_HN(CO)CA_4
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D HN(CO)CA'
   _Sample_label        $sample_1

save_


save_3D_HNCO_5
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D HNCO'
   _Sample_label        $sample_1

save_


save_3D_HCACO_6
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D HCACO'
   _Sample_label        $sample_1

save_


save_3D_C(CO)NH_7
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D C(CO)NH'
   _Sample_label        $sample_1

save_


save_3D_HBHA(CO)NH_8
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D HBHA(CO)NH'
   _Sample_label        $sample_1

save_


save_3D_H(CCO)NH_9
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D H(CCO)NH'
   _Sample_label        $sample_1

save_


save_3D_HCCH-TOCSY_10
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D HCCH-TOCSY'
   _Sample_label        $sample_1

save_


save_HBCBCGCDHD_11
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name      HBCBCGCDHD
   _Sample_label        $sample_1

save_


save_HBCBCGCDCEHE_12
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name      HBCBCGCDCEHE
   _Sample_label        $sample_1

save_


save_3D_1H-15N_TOCSY_13
   _Saveframe_category   NMR_applied_experiment

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

save_


save_3D_1H-15N_NOESY_14
   _Saveframe_category   NMR_applied_experiment

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

save_


save_3D_1H-13C_NOESY_15
   _Saveframe_category   NMR_applied_experiment

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

save_


save_2D_1H-15N_HSQC_16
   _Saveframe_category   NMR_applied_experiment

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

save_


save_2D_1H-13C_HSQC_17
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '2D 1H-13C HSQC'
   _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'   0.165 . M   
       pH                6.0   . pH  
       pressure          1     . atm 
       temperature     293     . 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
      _Reference_correction_type
      _Correction_value

      DSS C 13 'methyl protons' ppm 0 external indirect . . . 0.251449530 .            .    
      DSS H  1 'methyl protons' ppm 0 external direct   . . . 1.0         temperature 0.052 
      DSS N 15 'methyl protons' ppm 0 external 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_
      _Experiment_label

      '3D CBCA(CO)NH'   
      '3D HNCACB'       
      '3D HNCA'         
      '3D HN(CO)CA'     
      '3D HNCO'         
      '3D HCACO'        
      '3D C(CO)NH'      
      '3D HBHA(CO)NH'   
      '3D H(CCO)NH'     
      '3D HCCH-TOCSY'   
       HBCBCGCDHD       
       HBCBCGCDCEHE     
      '3D 1H-15N TOCSY' 
      '3D 1H-13C NOESY' 
      '2D 1H-15N HSQC'  

   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        CPV3
   _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 SER HA   H   4.770 0.020 1 
         2   1   1 SER HB2  H   3.838 0.020 2 
         3   1   1 SER HB3  H   3.838 0.020 2 
         4   1   1 SER C    C 175.582 0.400 1 
         5   1   1 SER CA   C  56.828 0.400 1 
         6   1   1 SER CB   C  65.209 0.400 1 
         7   2   2 LEU H    H   9.174 0.020 1 
         8   2   2 LEU HA   H   3.963 0.020 1 
         9   2   2 LEU HB2  H   1.756 0.020 2 
        10   2   2 LEU HB3  H   1.496 0.020 2 
        11   2   2 LEU HD1  H   0.370 0.020 1 
        12   2   2 LEU HD2  H   0.700 0.020 1 
        13   2   2 LEU HG   H   1.600 0.020 1 
        14   2   2 LEU C    C 178.800 0.400 1 
        15   2   2 LEU CA   C  59.040 0.400 1 
        16   2   2 LEU CB   C  41.763 0.400 1 
        17   2   2 LEU CD1  C  24.400 0.400 1 
        18   2   2 LEU CD2  C  25.100 0.400 1 
        19   2   2 LEU CG   C  27.170 0.400 1 
        20   2   2 LEU N    N 124.225 0.400 1 
        21   3   3 THR H    H   7.747 0.020 1 
        22   3   3 THR HA   H   4.776 0.020 1 
        23   3   3 THR HB   H   4.534 0.020 1 
        24   3   3 THR HG2  H   1.240 0.020 1 
        25   3   3 THR C    C 174.700 0.400 1 
        26   3   3 THR CA   C  63.011 0.400 1 
        27   3   3 THR CB   C  67.878 0.400 1 
        28   3   3 THR CG2  C  22.350 0.400 1 
        29   3   3 THR N    N 106.202 0.400 1 
        30   4   4 ASP H    H   7.525 0.020 1 
        31   4   4 ASP HA   H   4.728 0.020 1 
        32   4   4 ASP HB2  H   2.800 0.020 2 
        33   4   4 ASP HB3  H   2.800 0.020 2 
        34   4   4 ASP C    C 176.299 0.400 1 
        35   4   4 ASP CA   C  55.723 0.400 1 
        36   4   4 ASP CB   C  41.636 0.400 1 
        37   4   4 ASP N    N 118.485 0.400 1 
        38   5   5 ILE H    H   7.403 0.020 1 
        39   5   5 ILE HA   H   3.983 0.020 1 
        40   5   5 ILE HB   H   1.747 0.020 1 
        41   5   5 ILE HD1  H   0.860 0.020 1 
        42   5   5 ILE HG12 H   1.580 0.020 2 
        43   5   5 ILE HG13 H   1.740 0.020 2 
        44   5   5 ILE HG2  H   0.940 0.020 1 
        45   5   5 ILE C    C 174.500 0.400 1 
        46   5   5 ILE CA   C  63.278 0.400 1 
        47   5   5 ILE CB   C  41.522 0.400 1 
        48   5   5 ILE CD1  C  14.330 0.400 1 
        49   5   5 ILE CG1  C  27.870 0.400 1 
        50   5   5 ILE CG2  C  17.960 0.400 1 
        51   5   5 ILE N    N 119.215 0.400 1 
        52   6   6 LEU H    H   8.084 0.020 1 
        53   6   6 LEU HA   H   4.660 0.020 1 
        54   6   6 LEU HB2  H   1.770 0.020 2 
        55   6   6 LEU HB3  H   1.570 0.020 2 
        56   6   6 LEU HD1  H   1.119 0.020 1 
        57   6   6 LEU HD2  H   0.860 0.020 1 
        58   6   6 LEU HG   H   1.770 0.020 1 
        59   6   6 LEU C    C 175.415 0.400 1 
        60   6   6 LEU CA   C  51.954 0.400 1 
        61   6   6 LEU CB   C  43.429 0.400 1 
        62   6   6 LEU CD1  C  26.300 0.400 1 
        63   6   6 LEU CD2  C  22.300 0.400 1 
        64   6   6 LEU CG   C  26.390 0.400 1 
        65   6   6 LEU N    N 117.407 0.400 1 
        66   7   7 SER H    H   8.683 0.020 1 
        67   7   7 SER HA   H   4.893 0.020 1 
        68   7   7 SER HB2  H   4.050 0.020 2 
        69   7   7 SER HB3  H   3.890 0.020 2 
        70   7   7 SER CA   C  55.070 0.400 1 
        71   7   7 SER CB   C  63.690 0.400 1 
        72   7   7 SER N    N 115.000 0.400 1 
        73   8   8 PRO HA   H   4.230 0.020 1 
        74   8   8 PRO HB2  H   2.468 0.020 2 
        75   8   8 PRO HB3  H   2.084 0.020 2 
        76   8   8 PRO HD2  H   4.057 0.020 2 
        77   8   8 PRO HD3  H   4.057 0.020 2 
        78   8   8 PRO HG2  H   2.306 0.020 2 
        79   8   8 PRO HG3  H   2.306 0.020 2 
        80   8   8 PRO C    C 179.306 0.400 1 
        81   8   8 PRO CA   C  65.570 0.400 1 
        82   8   8 PRO CB   C  32.320 0.400 1 
        83   8   8 PRO CD   C  51.260 0.400 1 
        84   8   8 PRO CG   C  27.760 0.400 1 
        85   9   9 SER H    H   8.181 0.020 1 
        86   9   9 SER HA   H   4.254 0.020 1 
        87   9   9 SER HB2  H   3.831 0.020 2 
        88   9   9 SER HB3  H   3.831 0.020 2 
        89   9   9 SER C    C 177.153 0.400 1 
        90   9   9 SER CA   C  61.184 0.400 1 
        91   9   9 SER CB   C  62.275 0.400 1 
        92   9   9 SER N    N 112.985 0.400 1 
        93  10  10 ASP H    H   7.339 0.020 1 
        94  10  10 ASP HA   H   4.475 0.020 1 
        95  10  10 ASP HB2  H   3.091 0.020 2 
        96  10  10 ASP HB3  H   2.802 0.020 2 
        97  10  10 ASP C    C 178.369 0.400 1 
        98  10  10 ASP CA   C  57.114 0.400 1 
        99  10  10 ASP CB   C  39.635 0.400 1 
       100  10  10 ASP N    N 125.276 0.400 1 
       101  11  11 ILE H    H   8.032 0.020 1 
       102  11  11 ILE HA   H   3.140 0.020 1 
       103  11  11 ILE HB   H   1.897 0.020 1 
       104  11  11 ILE HD1  H   0.930 0.020 1 
       105  11  11 ILE HG12 H   1.840 0.020 2 
       106  11  11 ILE HG13 H   1.840 0.020 2 
       107  11  11 ILE HG2  H   1.019 0.020 1 
       108  11  11 ILE C    C 177.183 0.400 1 
       109  11  11 ILE CA   C  66.343 0.400 1 
       110  11  11 ILE CB   C  38.585 0.400 1 
       111  11  11 ILE CD1  C  14.290 0.400 1 
       112  11  11 ILE CG1  C  29.330 0.400 1 
       113  11  11 ILE CG2  C  17.980 0.400 1 
       114  11  11 ILE N    N 120.570 0.400 1 
       115  12  12 ALA H    H   8.069 0.020 1 
       116  12  12 ALA HA   H   4.007 0.020 1 
       117  12  12 ALA HB   H   1.454 0.020 1 
       118  12  12 ALA C    C 180.801 0.400 1 
       119  12  12 ALA CA   C  55.325 0.400 1 
       120  12  12 ALA CB   C  17.932 0.400 1 
       121  12  12 ALA N    N 119.732 0.400 1 
       122  13  13 ALA H    H   7.765 0.020 1 
       123  13  13 ALA HA   H   3.964 0.020 1 
       124  13  13 ALA HB   H   1.415 0.020 1 
       125  13  13 ALA C    C 180.178 0.400 1 
       126  13  13 ALA CA   C  55.128 0.400 1 
       127  13  13 ALA CB   C  17.943 0.400 1 
       128  13  13 ALA N    N 120.773 0.400 1 
       129  14  14 ALA H    H   8.119 0.020 1 
       130  14  14 ALA HA   H   3.682 0.020 1 
       131  14  14 ALA HB   H   0.701 0.020 1 
       132  14  14 ALA C    C 180.140 0.400 1 
       133  14  14 ALA CA   C  55.092 0.400 1 
       134  14  14 ALA CB   C  17.915 0.400 1 
       135  14  14 ALA N    N 124.712 0.400 1 
       136  15  15 LEU H    H   8.316 0.020 1 
       137  15  15 LEU HA   H   4.228 0.020 1 
       138  15  15 LEU HB2  H   1.904 0.020 2 
       139  15  15 LEU HB3  H   1.505 0.020 2 
       140  15  15 LEU HD1  H   0.923 0.020 1 
       141  15  15 LEU HD2  H   1.005 0.020 1 
       142  15  15 LEU HG   H   1.851 0.020 1 
       143  15  15 LEU C    C 180.255 0.400 1 
       144  15  15 LEU CA   C  57.452 0.400 1 
       145  15  15 LEU CB   C  41.706 0.400 1 
       146  15  15 LEU CD1  C  27.340 0.400 1 
       147  15  15 LEU CD2  C  24.840 0.400 1 
       148  15  15 LEU CG   C  27.700 0.400 1 
       149  15  15 LEU N    N 118.960 0.400 1 
       150  16  16 ARG H    H   8.268 0.020 1 
       151  16  16 ARG HA   H   4.065 0.020 1 
       152  16  16 ARG HB2  H   1.873 0.020 2 
       153  16  16 ARG HB3  H   1.873 0.020 2 
       154  16  16 ARG HD2  H   3.199 0.020 2 
       155  16  16 ARG HD3  H   3.199 0.020 2 
       156  16  16 ARG HG2  H   1.740 0.020 2 
       157  16  16 ARG HG3  H   1.600 0.020 2 
       158  16  16 ARG HH11 H   7.340 0.020 2 
       159  16  16 ARG HH12 H   7.340 0.020 2 
       160  16  16 ARG HH21 H   7.180 0.020 2 
       161  16  16 ARG HH22 H   7.180 0.020 2 
       162  16  16 ARG C    C 179.354 0.400 1 
       163  16  16 ARG CA   C  59.348 0.400 1 
       164  16  16 ARG CB   C  30.156 0.400 1 
       165  16  16 ARG CD   C  43.480 0.400 1 
       166  16  16 ARG CG   C  27.620 0.400 1 
       167  16  16 ARG N    N 120.865 0.400 1 
       168  16  16 ARG NH1  N 124.000 0.400 1 
       169  16  16 ARG NH2  N 124.000 0.400 1 
       170  17  17 ASP H    H   7.584 0.020 1 
       171  17  17 ASP HA   H   4.420 0.020 1 
       172  17  17 ASP HB2  H   2.668 0.020 2 
       173  17  17 ASP HB3  H   2.540 0.020 2 
       174  17  17 ASP C    C 176.000 0.400 1 
       175  17  17 ASP CA   C  56.921 0.400 1 
       176  17  17 ASP CB   C  43.237 0.400 1 
       177  17  17 ASP N    N 117.296 0.400 1 
       178  18  18 CYS H    H   7.294 0.020 1 
       179  18  18 CYS HA   H   5.708 0.020 1 
       180  18  18 CYS HB2  H   3.192 0.020 2 
       181  18  18 CYS HB3  H   2.926 0.020 2 
       182  18  18 CYS C    C 175.026 0.400 1 
       183  18  18 CYS CA   C  55.109 0.400 1 
       184  18  18 CYS CB   C  27.843 0.400 1 
       185  18  18 CYS N    N 110.233 0.400 1 
       186  19  19 GLN H    H   7.107 0.020 1 
       187  19  19 GLN HA   H   4.126 0.020 1 
       188  19  19 GLN HB2  H   2.271 0.020 2 
       189  19  19 GLN HB3  H   2.089 0.020 2 
       190  19  19 GLN HE21 H   7.577 0.020 2 
       191  19  19 GLN HE22 H   6.846 0.020 2 
       192  19  19 GLN HG2  H   2.475 0.020 2 
       193  19  19 GLN HG3  H   2.475 0.020 2 
       194  19  19 GLN C    C 176.654 0.400 1 
       195  19  19 GLN CA   C  59.450 0.400 1 
       196  19  19 GLN CB   C  29.222 0.400 1 
       197  19  19 GLN CG   C  33.770 0.400 1 
       198  19  19 GLN N    N 122.526 0.400 1 
       199  19  19 GLN NE2  N 111.500 0.400 1 
       200  20  20 ALA H    H   8.313 0.020 1 
       201  20  20 ALA HA   H   4.630 0.020 1 
       202  20  20 ALA HB   H   1.290 0.020 1 
       203  20  20 ALA C    C 176.200 0.400 1 
       204  20  20 ALA CA   C  50.166 0.400 1 
       205  20  20 ALA CB   C  17.792 0.400 1 
       206  20  20 ALA N    N 120.939 0.400 1 
       207  21  21 PRO HA   H   4.018 0.020 1 
       208  21  21 PRO HB2  H   2.188 0.020 2 
       209  21  21 PRO HB3  H   1.868 0.020 2 
       210  21  21 PRO HD2  H   3.611 0.020 2 
       211  21  21 PRO HD3  H   3.611 0.020 2 
       212  21  21 PRO HG2  H   1.980 0.020 2 
       213  21  21 PRO HG3  H   1.980 0.020 2 
       214  21  21 PRO C    C 176.300 0.400 1 
       215  21  21 PRO CA   C  64.474 0.400 1 
       216  21  21 PRO CB   C  31.544 0.400 1 
       217  21  21 PRO CD   C  50.360 0.400 1 
       218  21  21 PRO CG   C  28.060 0.400 1 
       219  22  22 ASP H    H   7.306 0.020 1 
       220  22  22 ASP HA   H   4.444 0.020 1 
       221  22  22 ASP HB2  H   2.926 0.020 2 
       222  22  22 ASP HB3  H   2.926 0.020 2 
       223  22  22 ASP C    C 175.251 0.400 1 
       224  22  22 ASP CA   C  58.864 0.400 1 
       225  22  22 ASP CB   C  38.430 0.400 1 
       226  22  22 ASP N    N 115.959 0.400 1 
       227  23  23 SER H    H   7.731 0.020 1 
       228  23  23 SER HA   H   4.496 0.020 1 
       229  23  23 SER HB2  H   4.138 0.020 2 
       230  23  23 SER HB3  H   3.580 0.020 2 
       231  23  23 SER C    C 175.521 0.400 1 
       232  23  23 SER CA   C  59.161 0.400 1 
       233  23  23 SER CB   C  65.106 0.400 1 
       234  23  23 SER N    N 112.120 0.400 1 
       235  24  24 PHE H    H   9.222 0.020 1 
       236  24  24 PHE HA   H   4.395 0.020 1 
       237  24  24 PHE HB2  H   2.850 0.020 2 
       238  24  24 PHE HB3  H   2.850 0.020 2 
       239  24  24 PHE HD1  H   7.160 0.020 1 
       240  24  24 PHE HD2  H   7.160 0.020 1 
       241  24  24 PHE HE1  H   6.320 0.020 1 
       242  24  24 PHE HE2  H   6.320 0.020 1 
       243  24  24 PHE C    C 174.380 0.400 1 
       244  24  24 PHE CA   C  59.334 0.400 1 
       245  24  24 PHE CB   C  40.205 0.400 1 
       246  24  24 PHE N    N 125.003 0.400 1 
       247  25  25 SER H    H   7.969 0.020 1 
       248  25  25 SER HA   H   4.490 0.020 1 
       249  25  25 SER HB2  H   3.630 0.020 2 
       250  25  25 SER HB3  H   3.490 0.020 2 
       251  25  25 SER C    C 172.355 0.400 1 
       252  25  25 SER CA   C  53.247 0.400 1 
       253  25  25 SER CB   C  63.930 0.400 1 
       254  25  25 SER N    N 123.085 0.400 1 
       255  26  26 PRO HA   H   2.683 0.020 1 
       256  26  26 PRO HB2  H   1.436 0.020 2 
       257  26  26 PRO HB3  H   1.214 0.020 2 
       258  26  26 PRO HD2  H   3.141 0.020 2 
       259  26  26 PRO HD3  H   3.141 0.020 2 
       260  26  26 PRO HG2  H   1.704 0.020 2 
       261  26  26 PRO HG3  H   1.704 0.020 2 
       262  26  26 PRO C    C 175.264 0.400 1 
       263  26  26 PRO CA   C  65.260 0.400 1 
       264  26  26 PRO CB   C  31.368 0.400 1 
       265  26  26 PRO CD   C  50.060 0.400 1 
       266  26  26 PRO CG   C  26.800 0.400 1 
       267  27  27 LYS H    H   7.790 0.020 1 
       268  27  27 LYS HA   H   3.767 0.020 1 
       269  27  27 LYS HB2  H   1.650 0.020 2 
       270  27  27 LYS HB3  H   1.650 0.020 2 
       271  27  27 LYS HD2  H   1.450 0.020 2 
       272  27  27 LYS HD3  H   1.450 0.020 2 
       273  27  27 LYS HE2  H   2.960 0.020 2 
       274  27  27 LYS HE3  H   2.960 0.020 2 
       275  27  27 LYS HG2  H   1.330 0.020 2 
       276  27  27 LYS HG3  H   1.330 0.020 2 
       277  27  27 LYS C    C 179.244 0.400 1 
       278  27  27 LYS CA   C  59.772 0.400 1 
       279  27  27 LYS CB   C  31.633 0.400 1 
       280  27  27 LYS CD   C  28.880 0.400 1 
       281  27  27 LYS CE   C  42.100 0.400 1 
       282  27  27 LYS CG   C  25.000 0.400 1 
       283  27  27 LYS N    N 113.095 0.400 1 
       284  28  28 LYS H    H   6.920 0.020 1 
       285  28  28 LYS HA   H   3.760 0.020 1 
       286  28  28 LYS HB2  H   1.652 0.020 2 
       287  28  28 LYS HB3  H   1.652 0.020 2 
       288  28  28 LYS HD2  H   1.431 0.020 2 
       289  28  28 LYS HD3  H   1.431 0.020 2 
       290  28  28 LYS HE2  H   2.956 0.020 2 
       291  28  28 LYS HE3  H   2.956 0.020 2 
       292  28  28 LYS HG2  H   1.330 0.020 2 
       293  28  28 LYS HG3  H   1.330 0.020 2 
       294  28  28 LYS C    C 177.975 0.400 1 
       295  28  28 LYS CA   C  59.202 0.400 1 
       296  28  28 LYS CB   C  32.042 0.400 1 
       297  28  28 LYS CD   C  28.900 0.400 1 
       298  28  28 LYS CE   C  44.300 0.400 1 
       299  28  28 LYS CG   C  28.830 0.400 1 
       300  28  28 LYS N    N 118.402 0.400 1 
       301  29  29 PHE H    H   7.744 0.020 1 
       302  29  29 PHE HA   H   3.930 0.020 1 
       303  29  29 PHE HB2  H   2.710 0.020 2 
       304  29  29 PHE HB3  H   2.620 0.020 2 
       305  29  29 PHE HD1  H   7.110 0.020 1 
       306  29  29 PHE HD2  H   7.110 0.020 1 
       307  29  29 PHE HE1  H   6.320 0.020 1 
       308  29  29 PHE HE2  H   6.320 0.020 1 
       309  29  29 PHE C    C 180.600 0.400 1 
       310  29  29 PHE CA   C  62.140 0.400 1 
       311  29  29 PHE CB   C  39.830 0.400 1 
       312  29  29 PHE N    N 120.017 0.400 1 
       313  30  30 PHE H    H   8.970 0.020 1 
       314  30  30 PHE HA   H   4.589 0.020 1 
       315  30  30 PHE HB2  H   3.360 0.020 2 
       316  30  30 PHE HB3  H   3.270 0.020 2 
       317  30  30 PHE HD1  H   7.546 0.020 1 
       318  30  30 PHE HD2  H   7.546 0.020 1 
       319  30  30 PHE HE1  H   7.158 0.020 1 
       320  30  30 PHE HE2  H   7.158 0.020 1 
       321  30  30 PHE C    C 177.300 0.400 1 
       322  30  30 PHE CA   C  58.650 0.400 1 
       323  30  30 PHE CB   C  37.120 0.400 1 
       324  30  30 PHE N    N 119.745 0.400 1 
       325  31  31 GLN H    H   7.928 0.020 1 
       326  31  31 GLN HA   H   4.239 0.020 1 
       327  31  31 GLN HB2  H   2.212 0.020 2 
       328  31  31 GLN HB3  H   2.212 0.020 2 
       329  31  31 GLN HE21 H   7.477 0.020 2 
       330  31  31 GLN HE22 H   6.757 0.020 2 
       331  31  31 GLN HG2  H   2.487 0.020 2 
       332  31  31 GLN HG3  H   2.487 0.020 2 
       333  31  31 GLN C    C 179.600 0.400 1 
       334  31  31 GLN CA   C  58.650 0.400 1 
       335  31  31 GLN CB   C  28.660 0.400 1 
       336  31  31 GLN CG   C  33.330 0.400 1 
       337  31  31 GLN N    N 119.441 0.400 1 
       338  31  31 GLN NE2  N 111.700 0.400 1 
       339  32  32 ILE H    H   8.779 0.020 1 
       340  32  32 ILE HA   H   3.514 0.020 1 
       341  32  32 ILE HB   H   1.331 0.020 1 
       342  32  32 ILE HD1  H   0.719 0.020 1 
       343  32  32 ILE HG12 H   1.791 0.020 2 
       344  32  32 ILE HG13 H   0.967 0.020 2 
       345  32  32 ILE HG2  H   0.680 0.020 1 
       346  32  32 ILE C    C 177.700 0.400 1 
       347  32  32 ILE CA   C  65.280 0.400 1 
       348  32  32 ILE CB   C  38.760 0.400 1 
       349  32  32 ILE CD1  C  13.880 0.400 1 
       350  32  32 ILE CG1  C  28.600 0.400 1 
       351  32  32 ILE CG2  C  17.090 0.400 1 
       352  32  32 ILE N    N 121.500 0.400 1 
       353  33  33 SER H    H   7.895 0.020 1 
       354  33  33 SER HA   H   3.505 0.020 1 
       355  33  33 SER HB2  H   2.893 0.020 2 
       356  33  33 SER HB3  H   2.893 0.020 2 
       357  33  33 SER C    C 173.800 0.400 1 
       358  33  33 SER CA   C  60.900 0.400 1 
       359  33  33 SER CB   C  63.500 0.400 1 
       360  33  33 SER N    N 108.856 0.400 1 
       361  34  34 GLY H    H   7.156 0.020 1 
       362  34  34 GLY HA2  H   4.323 0.020 2 
       363  34  34 GLY HA3  H   3.937 0.020 2 
       364  34  34 GLY C    C 175.453 0.400 1 
       365  34  34 GLY CA   C  45.295 0.400 1 
       366  34  34 GLY N    N 107.187 0.400 1 
       367  35  35 MET H    H   8.069 0.020 1 
       368  35  35 MET HA   H   3.671 0.020 1 
       369  35  35 MET HB2  H   2.140 0.020 2 
       370  35  35 MET HB3  H   2.060 0.020 2 
       371  35  35 MET HE   H   2.338 0.020 1 
       372  35  35 MET HG2  H   3.001 0.020 2 
       373  35  35 MET HG3  H   2.400 0.020 2 
       374  35  35 MET C    C 177.068 0.400 1 
       375  35  35 MET CA   C  60.354 0.400 1 
       376  35  35 MET CB   C  34.750 0.400 1 
       377  35  35 MET CE   C  17.570 0.400 1 
       378  35  35 MET CG   C  34.600 0.400 1 
       379  35  35 MET N    N 120.977 0.400 1 
       380  36  36 SER H    H   7.910 0.020 1 
       381  36  36 SER HA   H   4.005 0.020 1 
       382  36  36 SER HB2  H   3.677 0.020 2 
       383  36  36 SER HB3  H   3.677 0.020 2 
       384  36  36 SER C    C 174.700 0.400 1 
       385  36  36 SER CA   C  60.930 0.400 1 
       386  36  36 SER CB   C  63.440 0.400 1 
       387  36  36 SER N    N 108.977 0.400 1 
       388  37  37 LYS H    H   6.991 0.020 1 
       389  37  37 LYS HA   H   4.560 0.020 1 
       390  37  37 LYS HB2  H   2.056 0.020 2 
       391  37  37 LYS HB3  H   1.697 0.020 2 
       392  37  37 LYS HD2  H   1.670 0.020 2 
       393  37  37 LYS HD3  H   1.670 0.020 2 
       394  37  37 LYS HE2  H   2.970 0.020 2 
       395  37  37 LYS HE3  H   2.970 0.020 2 
       396  37  37 LYS HG2  H   1.402 0.020 2 
       397  37  37 LYS HG3  H   1.402 0.020 2 
       398  37  37 LYS C    C 176.900 0.400 1 
       399  37  37 LYS CA   C  55.266 0.400 1 
       400  37  37 LYS CB   C  32.983 0.400 1 
       401  37  37 LYS CD   C  28.770 0.400 1 
       402  37  37 LYS CE   C  42.170 0.400 1 
       403  37  37 LYS CG   C  24.700 0.400 1 
       404  37  37 LYS N    N 118.238 0.400 1 
       405  38  38 LYS H    H   7.339 0.020 1 
       406  38  38 LYS HA   H   4.497 0.020 1 
       407  38  38 LYS HB2  H   1.959 0.020 2 
       408  38  38 LYS HB3  H   1.959 0.020 2 
       409  38  38 LYS HD2  H   1.598 0.020 2 
       410  38  38 LYS HD3  H   1.598 0.020 2 
       411  38  38 LYS HE2  H   2.990 0.020 2 
       412  38  38 LYS HE3  H   2.818 0.020 2 
       413  38  38 LYS HG2  H   1.069 0.020 2 
       414  38  38 LYS HG3  H   1.069 0.020 2 
       415  38  38 LYS C    C 175.600 0.400 1 
       416  38  38 LYS CA   C  53.683 0.400 1 
       417  38  38 LYS CB   C  31.421 0.400 1 
       418  38  38 LYS CD   C  26.910 0.400 1 
       419  38  38 LYS CE   C  42.610 0.400 1 
       420  38  38 LYS CG   C  24.350 0.400 1 
       421  38  38 LYS N    N 118.443 0.400 1 
       422  39  39 SER H    H   8.844 0.020 1 
       423  39  39 SER HA   H   4.452 0.020 1 
       424  39  39 SER HB2  H   3.979 0.020 2 
       425  39  39 SER HB3  H   3.979 0.020 2 
       426  39  39 SER C    C 175.060 0.400 1 
       427  39  39 SER CA   C  57.117 0.400 1 
       428  39  39 SER CB   C  65.753 0.400 1 
       429  39  39 SER N    N 115.811 0.400 1 
       430  40  40 SER H    H   9.046 0.020 1 
       431  40  40 SER HA   H   3.920 0.020 1 
       432  40  40 SER HB2  H   3.920 0.020 2 
       433  40  40 SER HB3  H   3.920 0.020 2 
       434  40  40 SER C    C 176.900 0.400 1 
       435  40  40 SER CA   C  62.348 0.400 1 
       436  40  40 SER CB   C  62.300 0.400 1 
       437  40  40 SER N    N 115.790 0.400 1 
       438  41  41 SER H    H   8.420 0.020 1 
       439  41  41 SER HA   H   3.870 0.020 1 
       440  41  41 SER HB2  H   3.870 0.020 2 
       441  41  41 SER HB3  H   3.870 0.020 2 
       442  41  41 SER C    C 177.600 0.400 1 
       443  41  41 SER CA   C  62.080 0.400 1 
       444  41  41 SER CB   C  62.100 0.400 1 
       445  41  41 SER N    N 115.800 0.400 1 
       446  42  42 GLN H    H   7.690 0.020 1 
       447  42  42 GLN HA   H   4.206 0.020 1 
       448  42  42 GLN HB2  H   2.520 0.020 2 
       449  42  42 GLN HB3  H   1.730 0.020 2 
       450  42  42 GLN HE21 H   7.856 0.020 2 
       451  42  42 GLN HE22 H   7.085 0.020 2 
       452  42  42 GLN HG2  H   2.380 0.020 2 
       453  42  42 GLN HG3  H   2.530 0.020 2 
       454  42  42 GLN C    C 178.826 0.400 1 
       455  42  42 GLN CA   C  59.080 0.400 1 
       456  42  42 GLN CB   C  29.480 0.400 1 
       457  42  42 GLN CG   C  35.090 0.400 1 
       458  42  42 GLN N    N 122.735 0.400 1 
       459  42  42 GLN NE2  N 113.600 0.400 1 
       460  43  43 LEU H    H   8.737 0.020 1 
       461  43  43 LEU HA   H   4.177 0.020 1 
       462  43  43 LEU HB2  H   2.056 0.020 2 
       463  43  43 LEU HB3  H   1.260 0.020 2 
       464  43  43 LEU HD1  H   0.716 0.020 1 
       465  43  43 LEU HD2  H   0.876 0.020 1 
       466  43  43 LEU HG   H   1.810 0.020 1 
       467  43  43 LEU C    C 179.300 0.400 1 
       468  43  43 LEU CA   C  58.039 0.400 1 
       469  43  43 LEU CB   C  41.692 0.400 1 
       470  43  43 LEU CD1  C  26.200 0.400 1 
       471  43  43 LEU CD2  C  23.030 0.400 1 
       472  43  43 LEU CG   C  26.700 0.400 1 
       473  43  43 LEU N    N 118.861 0.400 1 
       474  44  44 LYS H    H   8.177 0.020 1 
       475  44  44 LYS HA   H   4.118 0.020 1 
       476  44  44 LYS HB2  H   1.930 0.020 2 
       477  44  44 LYS HB3  H   1.930 0.020 2 
       478  44  44 LYS HD2  H   1.602 0.020 2 
       479  44  44 LYS HD3  H   1.602 0.020 2 
       480  44  44 LYS HE2  H   2.825 0.020 2 
       481  44  44 LYS HE3  H   2.825 0.020 2 
       482  44  44 LYS HG2  H   1.370 0.020 2 
       483  44  44 LYS HG3  H   1.370 0.020 2 
       484  44  44 LYS C    C 178.933 0.400 1 
       485  44  44 LYS CA   C  59.685 0.400 1 
       486  44  44 LYS CB   C  31.953 0.400 1 
       487  44  44 LYS CD   C  29.030 0.400 1 
       488  44  44 LYS CE   C  42.050 0.400 1 
       489  44  44 LYS CG   C  25.800 0.400 1 
       490  44  44 LYS N    N 120.464 0.400 1 
       491  45  45 GLU H    H   7.458 0.020 1 
       492  45  45 GLU HA   H   4.124 0.020 1 
       493  45  45 GLU HB2  H   2.245 0.020 2 
       494  45  45 GLU HB3  H   2.075 0.020 2 
       495  45  45 GLU HG2  H   2.347 0.020 2 
       496  45  45 GLU HG3  H   2.347 0.020 2 
       497  45  45 GLU C    C 179.155 0.400 1 
       498  45  45 GLU CA   C  59.399 0.400 1 
       499  45  45 GLU CB   C  28.950 0.400 1 
       500  45  45 GLU CG   C  35.860 0.400 1 
       501  45  45 GLU N    N 119.739 0.400 1 
       502  46  46 ILE H    H   7.894 0.020 1 
       503  46  46 ILE HA   H   3.516 0.020 1 
       504  46  46 ILE HB   H   2.250 0.020 1 
       505  46  46 ILE HD1  H   1.020 0.020 1 
       506  46  46 ILE HG12 H   2.130 0.020 2 
       507  46  46 ILE HG13 H   2.130 0.020 2 
       508  46  46 ILE HG2  H   1.030 0.020 1 
       509  46  46 ILE C    C 177.100 0.400 1 
       510  46  46 ILE CA   C  65.920 0.400 1 
       511  46  46 ILE CB   C  37.870 0.400 1 
       512  46  46 ILE CD1  C  13.990 0.400 1 
       513  46  46 ILE CG1  C  29.330 0.400 1 
       514  46  46 ILE CG2  C  16.560 0.400 1 
       515  46  46 ILE N    N 119.130 0.400 1 
       516  47  47 PHE H    H   8.731 0.020 1 
       517  47  47 PHE HA   H   3.130 0.020 1 
       518  47  47 PHE HB2  H   2.890 0.020 2 
       519  47  47 PHE HB3  H   2.890 0.020 2 
       520  47  47 PHE HD1  H   6.550 0.020 1 
       521  47  47 PHE HD2  H   6.550 0.020 1 
       522  47  47 PHE HE1  H   6.510 0.020 1 
       523  47  47 PHE HE2  H   6.510 0.020 1 
       524  47  47 PHE C    C 175.700 0.400 1 
       525  47  47 PHE CA   C  62.950 0.400 1 
       526  47  47 PHE CB   C  38.560 0.400 1 
       527  47  47 PHE N    N 121.067 0.400 1 
       528  48  48 ARG H    H   7.854 0.020 1 
       529  48  48 ARG HA   H   3.891 0.020 1 
       530  48  48 ARG HB2  H   1.924 0.020 2 
       531  48  48 ARG HB3  H   1.924 0.020 2 
       532  48  48 ARG HD2  H   3.188 0.020 2 
       533  48  48 ARG HD3  H   3.188 0.020 2 
       534  48  48 ARG HG2  H   1.663 0.020 2 
       535  48  48 ARG HG3  H   1.663 0.020 2 
       536  48  48 ARG HH11 H   7.560 0.020 2 
       537  48  48 ARG HH12 H   7.560 0.020 2 
       538  48  48 ARG HH21 H   7.395 0.020 2 
       539  48  48 ARG HH22 H   7.395 0.020 2 
       540  48  48 ARG C    C 178.400 0.400 1 
       541  48  48 ARG CA   C  59.310 0.400 1 
       542  48  48 ARG CB   C  30.310 0.400 1 
       543  48  48 ARG CD   C  43.580 0.400 1 
       544  48  48 ARG CG   C  27.850 0.400 1 
       545  48  48 ARG N    N 115.474 0.400 1 
       546  48  48 ARG NH1  N 124.300 0.400 1 
       547  48  48 ARG NH2  N 124.300 0.400 1 
       548  49  49 ILE H    H   7.272 0.020 1 
       549  49  49 ILE HA   H   3.530 0.020 1 
       550  49  49 ILE HB   H   1.830 0.020 1 
       551  49  49 ILE HD1  H   0.720 0.020 1 
       552  49  49 ILE HG12 H   1.780 0.020 2 
       553  49  49 ILE HG13 H   0.960 0.020 2 
       554  49  49 ILE HG2  H   0.680 0.020 1 
       555  49  49 ILE C    C 177.500 0.400 1 
       556  49  49 ILE CA   C  64.040 0.400 1 
       557  49  49 ILE CB   C  38.180 0.400 1 
       558  49  49 ILE CD1  C  13.870 0.400 1 
       559  49  49 ILE CG1  C  28.910 0.400 1 
       560  49  49 ILE CG2  C  16.930 0.400 1 
       561  49  49 ILE N    N 117.976 0.400 1 
       562  50  50 LEU H    H   7.421 0.020 1 
       563  50  50 LEU HA   H   3.730 0.020 1 
       564  50  50 LEU HB2  H   1.360 0.020 2 
       565  50  50 LEU HB3  H   0.960 0.020 2 
       566  50  50 LEU HD1  H   0.670 0.020 1 
       567  50  50 LEU HD2  H   0.500 0.020 1 
       568  50  50 LEU HG   H   1.670 0.020 1 
       569  50  50 LEU C    C 174.800 0.400 1 
       570  50  50 LEU CA   C  56.510 0.400 1 
       571  50  50 LEU CB   C  41.590 0.400 1 
       572  50  50 LEU CD1  C  27.030 0.400 1 
       573  50  50 LEU CD2  C  22.540 0.400 1 
       574  50  50 LEU CG   C  26.200 0.400 1 
       575  50  50 LEU N    N 118.979 0.400 1 
       576  51  51 ASP H    H   7.661 0.020 1 
       577  51  51 ASP HA   H   4.312 0.020 1 
       578  51  51 ASP HB2  H   2.307 0.020 2 
       579  51  51 ASP HB3  H   1.401 0.020 2 
       580  51  51 ASP C    C 176.800 0.400 1 
       581  51  51 ASP CA   C  52.460 0.400 1 
       582  51  51 ASP CB   C  38.540 0.400 1 
       583  51  51 ASP N    N 118.900 0.400 1 
       584  52  52 ASN H    H   7.789 0.020 1 
       585  52  52 ASN HA   H   4.170 0.020 1 
       586  52  52 ASN HB2  H   2.642 0.020 2 
       587  52  52 ASN HB3  H   2.642 0.020 2 
       588  52  52 ASN HD21 H   7.747 0.020 2 
       589  52  52 ASN HD22 H   6.802 0.020 2 
       590  52  52 ASN C    C 175.800 0.400 1 
       591  52  52 ASN CA   C  56.220 0.400 1 
       592  52  52 ASN CB   C  38.933 0.400 1 
       593  52  52 ASN N    N 122.359 0.400 1 
       594  52  52 ASN ND2  N 113.600 0.400 1 
       595  53  53 ASP H    H   8.445 0.020 1 
       596  53  53 ASP HA   H   4.490 0.020 1 
       597  53  53 ASP HB2  H   2.910 0.020 2 
       598  53  53 ASP HB3  H   2.527 0.020 2 
       599  53  53 ASP C    C 175.700 0.400 1 
       600  53  53 ASP CA   C  52.798 0.400 1 
       601  53  53 ASP CB   C  39.173 0.400 1 
       602  53  53 ASP N    N 116.638 0.400 1 
       603  54  54 GLN H    H   7.845 0.020 1 
       604  54  54 GLN HA   H   3.851 0.020 1 
       605  54  54 GLN HB2  H   2.141 0.020 2 
       606  54  54 GLN HB3  H   2.141 0.020 2 
       607  54  54 GLN HE21 H   7.569 0.020 2 
       608  54  54 GLN HE22 H   6.672 0.020 2 
       609  54  54 GLN HG2  H   2.238 0.020 2 
       610  54  54 GLN HG3  H   2.238 0.020 2 
       611  54  54 GLN C    C 175.900 0.400 1 
       612  54  54 GLN CA   C  56.857 0.400 1 
       613  54  54 GLN CB   C  26.265 0.400 1 
       614  54  54 GLN CG   C  34.390 0.400 1 
       615  54  54 GLN N    N 116.339 0.400 1 
       616  54  54 GLN NE2  N 114.300 0.400 1 
       617  55  55 SER H    H   9.328 0.020 1 
       618  55  55 SER HA   H   4.240 0.020 1 
       619  55  55 SER HB2  H   4.001 0.020 2 
       620  55  55 SER HB3  H   3.700 0.020 2 
       621  55  55 SER C    C 176.300 0.400 1 
       622  55  55 SER CA   C  59.144 0.400 1 
       623  55  55 SER CB   C  64.642 0.400 1 
       624  55  55 SER N    N 118.156 0.400 1 
       625  56  56 GLY H    H  10.818 0.020 1 
       626  56  56 GLY HA2  H   4.104 0.020 2 
       627  56  56 GLY HA3  H   3.384 0.020 2 
       628  56  56 GLY C    C 172.300 0.400 1 
       629  56  56 GLY CA   C  44.827 0.400 1 
       630  56  56 GLY N    N 115.961 0.400 1 
       631  57  57 PHE H    H   7.873 0.020 1 
       632  57  57 PHE HA   H   5.409 0.020 1 
       633  57  57 PHE HB2  H   2.730 0.020 2 
       634  57  57 PHE HB3  H   2.620 0.020 2 
       635  57  57 PHE HD1  H   6.920 0.020 1 
       636  57  57 PHE HD2  H   6.920 0.020 1 
       637  57  57 PHE HE1  H   7.360 0.020 1 
       638  57  57 PHE HE2  H   7.360 0.020 1 
       639  57  57 PHE C    C 173.700 0.400 1 
       640  57  57 PHE CA   C  56.271 0.400 1 
       641  57  57 PHE CB   C  43.574 0.400 1 
       642  57  57 PHE N    N 115.732 0.400 1 
       643  58  58 ILE H    H   9.119 0.020 1 
       644  58  58 ILE HA   H   4.307 0.020 1 
       645  58  58 ILE HB   H   1.598 0.020 1 
       646  58  58 ILE HD1  H   0.330 0.020 1 
       647  58  58 ILE HG12 H   1.228 0.020 2 
       648  58  58 ILE HG13 H   0.503 0.020 2 
       649  58  58 ILE HG2  H   0.703 0.020 1 
       650  58  58 ILE C    C 176.000 0.400 1 
       651  58  58 ILE CA   C  60.757 0.400 1 
       652  58  58 ILE CB   C  39.567 0.400 1 
       653  58  58 ILE CD1  C  14.240 0.400 1 
       654  58  58 ILE CG1  C  26.190 0.400 1 
       655  58  58 ILE CG2  C  17.610 0.400 1 
       656  58  58 ILE N    N 119.499 0.400 1 
       657  59  59 GLU H    H   8.665 0.020 1 
       658  59  59 GLU HA   H   4.613 0.020 1 
       659  59  59 GLU HB2  H   2.350 0.020 2 
       660  59  59 GLU HB3  H   1.980 0.020 2 
       661  59  59 GLU HG2  H   2.301 0.020 2 
       662  59  59 GLU HG3  H   2.301 0.020 2 
       663  59  59 GLU C    C 177.400 0.400 1 
       664  59  59 GLU CA   C  55.565 0.400 1 
       665  59  59 GLU CB   C  31.080 0.400 1 
       666  59  59 GLU CG   C  36.850 0.400 1 
       667  59  59 GLU N    N 125.939 0.400 1 
       668  60  60 GLU H    H   8.864 0.020 1 
       669  60  60 GLU HA   H   3.606 0.020 1 
       670  60  60 GLU HB2  H   2.011 0.020 2 
       671  60  60 GLU HB3  H   2.011 0.020 2 
       672  60  60 GLU HG2  H   2.183 0.020 2 
       673  60  60 GLU HG3  H   2.183 0.020 2 
       674  60  60 GLU C    C 178.100 0.400 1 
       675  60  60 GLU CA   C  60.964 0.400 1 
       676  60  60 GLU CB   C  29.460 0.400 1 
       677  60  60 GLU CG   C  35.950 0.400 1 
       678  60  60 GLU N    N 122.098 0.400 1 
       679  61  61 ASP H    H   8.701 0.020 1 
       680  61  61 ASP HA   H   4.296 0.020 1 
       681  61  61 ASP HB2  H   2.644 0.020 2 
       682  61  61 ASP HB3  H   2.644 0.020 2 
       683  61  61 ASP C    C 177.200 0.400 1 
       684  61  61 ASP CA   C  57.060 0.400 1 
       685  61  61 ASP CB   C  40.740 0.400 1 
       686  61  61 ASP N    N 115.192 0.400 1 
       687  62  62 GLU H    H   7.387 0.020 1 
       688  62  62 GLU HA   H   4.455 0.020 1 
       689  62  62 GLU HB2  H   2.315 0.020 2 
       690  62  62 GLU HB3  H   2.095 0.020 2 
       691  62  62 GLU HG2  H   2.400 0.020 2 
       692  62  62 GLU HG3  H   2.400 0.020 2 
       693  62  62 GLU C    C 179.600 0.400 1 
       694  62  62 GLU CA   C  57.060 0.400 1 
       695  62  62 GLU CB   C  30.518 0.400 1 
       696  62  62 GLU CG   C  36.580 0.400 1 
       697  62  62 GLU N    N 115.629 0.400 1 
       698  63  63 LEU H    H   7.937 0.020 1 
       699  63  63 LEU HA   H   3.838 0.020 1 
       700  63  63 LEU HB2  H   1.591 0.020 2 
       701  63  63 LEU HB3  H   1.296 0.020 2 
       702  63  63 LEU HD1  H   0.344 0.020 1 
       703  63  63 LEU HD2  H   0.130 0.020 1 
       704  63  63 LEU HG   H   1.436 0.020 1 
       705  63  63 LEU C    C 177.800 0.400 1 
       706  63  63 LEU CA   C  57.101 0.400 1 
       707  63  63 LEU CB   C  41.826 0.400 1 
       708  63  63 LEU CD1  C  24.180 0.400 1 
       709  63  63 LEU CD2  C  23.310 0.400 1 
       710  63  63 LEU CG   C  25.850 0.400 1 
       711  63  63 LEU N    N 122.232 0.400 1 
       712  64  64 LYS H    H   7.339 0.020 1 
       713  64  64 LYS HA   H   3.917 0.020 1 
       714  64  64 LYS HB2  H   1.648 0.020 2 
       715  64  64 LYS HB3  H   1.450 0.020 2 
       716  64  64 LYS HD2  H   1.634 0.020 2 
       717  64  64 LYS HD3  H   1.438 0.020 2 
       718  64  64 LYS HE2  H   2.803 0.020 2 
       719  64  64 LYS HE3  H   2.803 0.020 2 
       720  64  64 LYS HG2  H   0.319 0.020 2 
       721  64  64 LYS HG3  H   0.871 0.020 2 
       722  64  64 LYS C    C 177.300 0.400 1 
       723  64  64 LYS CA   C  58.384 0.400 1 
       724  64  64 LYS CB   C  31.047 0.400 1 
       725  64  64 LYS CD   C  29.280 0.400 1 
       726  64  64 LYS CE   C  41.780 0.400 1 
       727  64  64 LYS CG   C  22.760 0.400 1 
       728  64  64 LYS N    N 113.917 0.400 1 
       729  65  65 TYR H    H   7.225 0.020 1 
       730  65  65 TYR HA   H   4.541 0.020 1 
       731  65  65 TYR HB2  H   3.459 0.020 2 
       732  65  65 TYR HB3  H   2.681 0.020 2 
       733  65  65 TYR HD1  H   7.184 0.020 1 
       734  65  65 TYR HD2  H   7.184 0.020 1 
       735  65  65 TYR HE1  H   6.831 0.020 1 
       736  65  65 TYR HE2  H   6.831 0.020 1 
       737  65  65 TYR C    C 174.900 0.400 1 
       738  65  65 TYR CA   C  58.070 0.400 1 
       739  65  65 TYR CB   C  37.680 0.400 1 
       740  65  65 TYR N    N 118.492 0.400 1 
       741  66  66 PHE H    H   7.749 0.020 1 
       742  66  66 PHE HA   H   4.056 0.020 1 
       743  66  66 PHE HB2  H   3.584 0.020 2 
       744  66  66 PHE HB3  H   2.481 0.020 2 
       745  66  66 PHE HD1  H   6.900 0.020 1 
       746  66  66 PHE HD2  H   6.900 0.020 1 
       747  66  66 PHE HE1  H   6.810 0.020 1 
       748  66  66 PHE HE2  H   6.810 0.020 1 
       749  66  66 PHE C    C 176.400 0.400 1 
       750  66  66 PHE CA   C  62.828 0.400 1 
       751  66  66 PHE CB   C  41.906 0.400 1 
       752  66  66 PHE N    N 119.306 0.400 1 
       753  67  67 LEU H    H   8.467 0.020 1 
       754  67  67 LEU HA   H   3.831 0.020 1 
       755  67  67 LEU HB2  H   1.992 0.020 2 
       756  67  67 LEU HB3  H   1.230 0.020 2 
       757  67  67 LEU HD1  H   0.780 0.020 1 
       758  67  67 LEU HD2  H   0.520 0.020 1 
       759  67  67 LEU HG   H   1.438 0.020 1 
       760  67  67 LEU C    C 180.400 0.400 1 
       761  67  67 LEU CA   C  57.619 0.400 1 
       762  67  67 LEU CB   C  41.083 0.400 1 
       763  67  67 LEU CD1  C  25.790 0.400 1 
       764  67  67 LEU CD2  C  22.710 0.400 1 
       765  67  67 LEU CG   C  26.900 0.400 1 
       766  67  67 LEU N    N 112.139 0.400 1 
       767  68  68 GLN H    H   7.376 0.020 1 
       768  68  68 GLN HA   H   4.629 0.020 1 
       769  68  68 GLN HB2  H   2.184 0.020 2 
       770  68  68 GLN HB3  H   2.022 0.020 2 
       771  68  68 GLN HE21 H   7.448 0.020 2 
       772  68  68 GLN HE22 H   6.607 0.020 2 
       773  68  68 GLN HG2  H   2.373 0.020 2 
       774  68  68 GLN HG3  H   2.373 0.020 2 
       775  68  68 GLN C    C 178.100 0.400 1 
       776  68  68 GLN CA   C  56.580 0.400 1 
       777  68  68 GLN CB   C  27.160 0.400 1 
       778  68  68 GLN CG   C  34.500 0.400 1 
       779  68  68 GLN N    N 116.122 0.400 1 
       780  68  68 GLN NE2  N 108.600 0.400 1 
       781  69  69 ARG H    H   7.481 0.020 1 
       782  69  69 ARG HA   H   3.891 0.020 1 
       783  69  69 ARG HB2  H   1.600 0.020 2 
       784  69  69 ARG HB3  H   1.247 0.020 2 
       785  69  69 ARG HD2  H   2.989 0.020 2 
       786  69  69 ARG HD3  H   2.989 0.020 2 
       787  69  69 ARG HG2  H   1.840 0.020 2 
       788  69  69 ARG HG3  H   1.470 0.020 2 
       789  69  69 ARG HH11 H   7.380 0.020 2 
       790  69  69 ARG HH12 H   7.380 0.020 2 
       791  69  69 ARG HH21 H   7.230 0.020 2 
       792  69  69 ARG HH22 H   7.230 0.020 2 
       793  69  69 ARG C    C 176.400 0.400 1 
       794  69  69 ARG CA   C  56.044 0.400 1 
       795  69  69 ARG CB   C  28.197 0.400 1 
       796  69  69 ARG CD   C  41.950 0.400 1 
       797  69  69 ARG CG   C  26.010 0.400 1 
       798  69  69 ARG N    N 115.836 0.400 1 
       799  69  69 ARG NH1  N 124.300 0.400 1 
       800  69  69 ARG NH2  N 124.300 0.400 1 
       801  70  70 PHE H    H   7.512 0.020 1 
       802  70  70 PHE HA   H   4.049 0.020 1 
       803  70  70 PHE HB2  H   3.278 0.020 2 
       804  70  70 PHE HB3  H   2.904 0.020 2 
       805  70  70 PHE HD1  H   7.269 0.020 1 
       806  70  70 PHE HD2  H   7.269 0.020 1 
       807  70  70 PHE HE1  H   6.486 0.020 1 
       808  70  70 PHE HE2  H   6.486 0.020 1 
       809  70  70 PHE C    C 176.100 0.400 1 
       810  70  70 PHE CA   C  59.780 0.400 1 
       811  70  70 PHE CB   C  39.280 0.400 1 
       812  70  70 PHE N    N 115.800 0.400 1 
       813  71  71 GLU H    H   7.639 0.020 1 
       814  71  71 GLU HA   H   4.264 0.020 1 
       815  71  71 GLU HB2  H   1.928 0.020 2 
       816  71  71 GLU HB3  H   1.782 0.020 2 
       817  71  71 GLU HG2  H   2.194 0.020 2 
       818  71  71 GLU HG3  H   2.194 0.020 2 
       819  71  71 GLU C    C 175.700 0.400 1 
       820  71  71 GLU CA   C  56.674 0.400 1 
       821  71  71 GLU CB   C  33.083 0.400 1 
       822  71  71 GLU CG   C  36.530 0.400 1 
       823  71  71 GLU N    N 120.321 0.400 1 
       824  72  72 SER H    H   8.762 0.020 1 
       825  72  72 SER HA   H   4.239 0.020 1 
       826  72  72 SER HB2  H   3.875 0.020 2 
       827  72  72 SER HB3  H   3.875 0.020 2 
       828  72  72 SER C    C 175.300 0.400 1 
       829  72  72 SER CA   C  61.645 0.400 1 
       830  72  72 SER CB   C  62.816 0.400 1 
       831  72  72 SER N    N 122.427 0.400 1 
       832  73  73 GLY H    H   8.683 0.020 1 
       833  73  73 GLY HA2  H   4.133 0.020 2 
       834  73  73 GLY HA3  H   3.715 0.020 2 
       835  73  73 GLY C    C 174.300 0.400 1 
       836  73  73 GLY CA   C  45.048 0.400 1 
       837  73  73 GLY N    N 109.265 0.400 1 
       838  74  74 ALA H    H   7.737 0.020 1 
       839  74  74 ALA HA   H   4.289 0.020 1 
       840  74  74 ALA HB   H   1.443 0.020 1 
       841  74  74 ALA C    C 175.900 0.400 1 
       842  74  74 ALA CA   C  51.908 0.400 1 
       843  74  74 ALA CB   C  21.003 0.400 1 
       844  74  74 ALA N    N 122.720 0.400 1 
       845  75  75 ARG H    H   8.266 0.020 1 
       846  75  75 ARG HA   H   4.477 0.020 1 
       847  75  75 ARG HB2  H   1.990 0.020 2 
       848  75  75 ARG HB3  H   1.765 0.020 2 
       849  75  75 ARG HD2  H   3.238 0.020 2 
       850  75  75 ARG HD3  H   3.071 0.020 2 
       851  75  75 ARG HG2  H   1.457 0.020 2 
       852  75  75 ARG HG3  H   1.257 0.020 2 
       853  75  75 ARG HH11 H   6.670 0.020 2 
       854  75  75 ARG HH12 H   6.670 0.020 2 
       855  75  75 ARG HH21 H   6.520 0.020 2 
       856  75  75 ARG HH22 H   6.520 0.020 2 
       857  75  75 ARG C    C 175.200 0.400 1 
       858  75  75 ARG CA   C  54.871 0.400 1 
       859  75  75 ARG CB   C  30.688 0.400 1 
       860  75  75 ARG CD   C  42.880 0.400 1 
       861  75  75 ARG CG   C  27.020 0.400 1 
       862  75  75 ARG N    N 117.249 0.400 1 
       863  75  75 ARG NH1  N 124.400 0.400 1 
       864  75  75 ARG NH2  N 124.400 0.400 1 
       865  76  76 VAL H    H   7.940 0.020 1 
       866  76  76 VAL HA   H   3.983 0.020 1 
       867  76  76 VAL HB   H   1.904 0.020 1 
       868  76  76 VAL HG1  H   0.860 0.020 1 
       869  76  76 VAL HG2  H   0.890 0.020 1 
       870  76  76 VAL C    C 177.100 0.400 1 
       871  76  76 VAL CA   C  61.748 0.400 1 
       872  76  76 VAL CB   C  32.899 0.400 1 
       873  76  76 VAL CG1  C  21.690 0.400 1 
       874  76  76 VAL CG2  C  20.680 0.400 1 
       875  76  76 VAL N    N 115.352 0.400 1 
       876  77  77 LEU H    H   8.385 0.020 1 
       877  77  77 LEU HA   H   4.470 0.020 1 
       878  77  77 LEU HB2  H   1.663 0.020 2 
       879  77  77 LEU HB3  H   1.472 0.020 2 
       880  77  77 LEU HD1  H   0.397 0.020 1 
       881  77  77 LEU HD2  H   0.238 0.020 1 
       882  77  77 LEU HG   H   1.590 0.020 1 
       883  77  77 LEU C    C 178.000 0.400 1 
       884  77  77 LEU CA   C  55.033 0.400 1 
       885  77  77 LEU CB   C  42.559 0.400 1 
       886  77  77 LEU CD1  C  25.560 0.400 1 
       887  77  77 LEU CD2  C  22.650 0.400 1 
       888  77  77 LEU CG   C  27.130 0.400 1 
       889  77  77 LEU N    N 124.327 0.400 1 
       890  78  78 THR H    H   9.891 0.020 1 
       891  78  78 THR HA   H   4.287 0.020 1 
       892  78  78 THR HB   H   4.816 0.020 1 
       893  78  78 THR HG2  H   1.324 0.020 1 
       894  78  78 THR C    C 175.900 0.400 1 
       895  78  78 THR CA   C  60.656 0.400 1 
       896  78  78 THR CB   C  71.148 0.400 1 
       897  78  78 THR CG2  C  21.810 0.400 1 
       898  78  78 THR N    N 112.913 0.400 1 
       899  79  79 ALA H    H   8.963 0.020 1 
       900  79  79 ALA HA   H   4.214 0.020 1 
       901  79  79 ALA HB   H   1.446 0.020 1 
       902  79  79 ALA C    C 180.700 0.400 1 
       903  79  79 ALA CA   C  55.342 0.400 1 
       904  79  79 ALA CB   C  17.953 0.400 1 
       905  79  79 ALA N    N 124.352 0.400 1 
       906  80  80 SER H    H   8.451 0.020 1 
       907  80  80 SER HA   H   4.226 0.020 1 
       908  80  80 SER HB2  H   3.897 0.020 2 
       909  80  80 SER HB3  H   3.897 0.020 2 
       910  80  80 SER C    C 177.500 0.400 1 
       911  80  80 SER CA   C  61.370 0.400 1 
       912  80  80 SER CB   C  62.490 0.400 1 
       913  80  80 SER N    N 113.084 0.400 1 
       914  81  81 GLU H    H   7.970 0.020 1 
       915  81  81 GLU HA   H   4.122 0.020 1 
       916  81  81 GLU HB2  H   2.633 0.020 2 
       917  81  81 GLU HB3  H   1.864 0.020 2 
       918  81  81 GLU HG2  H   2.839 0.020 2 
       919  81  81 GLU HG3  H   2.521 0.020 2 
       920  81  81 GLU C    C 179.800 0.400 1 
       921  81  81 GLU CA   C  59.277 0.400 1 
       922  81  81 GLU CB   C  31.430 0.400 1 
       923  81  81 GLU CG   C  38.510 0.400 1 
       924  81  81 GLU N    N 122.940 0.400 1 
       925  82  82 THR H    H   8.780 0.020 1 
       926  82  82 THR HA   H   3.728 0.020 1 
       927  82  82 THR HB   H   4.219 0.020 1 
       928  82  82 THR HG2  H   1.070 0.020 1 
       929  82  82 THR C    C 176.300 0.400 1 
       930  82  82 THR CA   C  67.516 0.400 1 
       931  82  82 THR CB   C  67.500 0.400 1 
       932  82  82 THR CG2  C  22.500 0.400 1 
       933  82  82 THR N    N 114.282 0.400 1 
       934  83  83 LYS H    H   7.941 0.020 1 
       935  83  83 LYS HA   H   3.996 0.020 1 
       936  83  83 LYS HB2  H   1.956 0.020 2 
       937  83  83 LYS HB3  H   1.956 0.020 2 
       938  83  83 LYS HD2  H   1.653 0.020 2 
       939  83  83 LYS HD3  H   1.653 0.020 2 
       940  83  83 LYS HE2  H   2.949 0.020 2 
       941  83  83 LYS HE3  H   2.949 0.020 2 
       942  83  83 LYS HG2  H   1.518 0.020 2 
       943  83  83 LYS HG3  H   1.518 0.020 2 
       944  83  83 LYS C    C 179.700 0.400 1 
       945  83  83 LYS CA   C  59.637 0.400 1 
       946  83  83 LYS CB   C  32.304 0.400 1 
       947  83  83 LYS CD   C  28.930 0.400 1 
       948  83  83 LYS CE   C  42.200 0.400 1 
       949  83  83 LYS CG   C  24.970 0.400 1 
       950  83  83 LYS N    N 121.808 0.400 1 
       951  84  84 THR H    H   8.093 0.020 1 
       952  84  84 THR HA   H   3.948 0.020 1 
       953  84  84 THR HB   H   4.283 0.020 1 
       954  84  84 THR HG2  H   1.250 0.020 1 
       955  84  84 THR C    C 176.500 0.400 1 
       956  84  84 THR CA   C  66.285 0.400 1 
       957  84  84 THR CB   C  68.650 0.400 1 
       958  84  84 THR CG2  C  21.800 0.400 1 
       959  84  84 THR N    N 116.355 0.400 1 
       960  85  85 PHE H    H   8.056 0.020 1 
       961  85  85 PHE HA   H   4.274 0.020 1 
       962  85  85 PHE HB2  H   3.516 0.020 2 
       963  85  85 PHE HB3  H   3.243 0.020 2 
       964  85  85 PHE HD1  H   7.080 0.020 1 
       965  85  85 PHE HD2  H   7.080 0.020 1 
       966  85  85 PHE HE1  H   6.580 0.020 1 
       967  85  85 PHE HE2  H   6.580 0.020 1 
       968  85  85 PHE C    C 177.500 0.400 1 
       969  85  85 PHE CA   C  58.982 0.400 1 
       970  85  85 PHE CB   C  39.009 0.400 1 
       971  85  85 PHE N    N 124.340 0.400 1 
       972  86  86 LEU H    H   8.324 0.020 1 
       973  86  86 LEU HA   H   3.825 0.020 1 
       974  86  86 LEU HB2  H   1.727 0.020 2 
       975  86  86 LEU HB3  H   1.545 0.020 2 
       976  86  86 LEU HD1  H   0.710 0.020 1 
       977  86  86 LEU HD2  H   0.700 0.020 1 
       978  86  86 LEU HG   H   1.430 0.020 1 
       979  86  86 LEU C    C 178.400 0.400 1 
       980  86  86 LEU CA   C  58.500 0.400 1 
       981  86  86 LEU CB   C  42.010 0.400 1 
       982  86  86 LEU CD1  C  24.340 0.400 1 
       983  86  86 LEU CD2  C  25.000 0.400 1 
       984  86  86 LEU CG   C  26.880 0.400 1 
       985  86  86 LEU N    N 118.384 0.400 1 
       986  87  87 ALA H    H   8.108 0.020 1 
       987  87  87 ALA HA   H   4.179 0.020 1 
       988  87  87 ALA HB   H   1.470 0.020 1 
       989  87  87 ALA C    C 179.400 0.400 1 
       990  87  87 ALA CA   C  54.332 0.400 1 
       991  87  87 ALA CB   C  18.277 0.400 1 
       992  87  87 ALA N    N 118.448 0.400 1 
       993  88  88 ALA H    H   7.587 0.020 1 
       994  88  88 ALA HA   H   4.259 0.020 1 
       995  88  88 ALA HB   H   1.544 0.020 1 
       996  88  88 ALA C    C 177.800 0.400 1 
       997  88  88 ALA CA   C  53.579 0.400 1 
       998  88  88 ALA CB   C  18.712 0.400 1 
       999  88  88 ALA N    N 118.568 0.400 1 
      1000  89  89 ALA H    H   7.667 0.020 1 
      1001  89  89 ALA HA   H   4.497 0.020 1 
      1002  89  89 ALA HB   H   1.481 0.020 1 
      1003  89  89 ALA C    C 177.100 0.400 1 
      1004  89  89 ALA CA   C  52.545 0.400 1 
      1005  89  89 ALA CB   C  22.306 0.400 1 
      1006  89  89 ALA N    N 119.138 0.400 1 
      1007  90  90 ASP H    H   8.289 0.020 1 
      1008  90  90 ASP HA   H   4.622 0.020 1 
      1009  90  90 ASP HB2  H   2.836 0.020 2 
      1010  90  90 ASP HB3  H   2.457 0.020 2 
      1011  90  90 ASP C    C 176.500 0.400 1 
      1012  90  90 ASP CA   C  53.973 0.400 1 
      1013  90  90 ASP CB   C  40.303 0.400 1 
      1014  90  90 ASP N    N 117.199 0.400 1 
      1015  91  91 HIS H    H   8.734 0.020 1 
      1016  91  91 HIS HA   H   4.662 0.020 1 
      1017  91  91 HIS HB2  H   3.269 0.020 2 
      1018  91  91 HIS HB3  H   3.269 0.020 2 
      1019  91  91 HIS HD2  H   7.336 0.020 1 
      1020  91  91 HIS C    C 175.600 0.400 1 
      1021  91  91 HIS CA   C  56.300 0.400 1 
      1022  91  91 HIS CB   C  29.509 0.400 1 
      1023  91  91 HIS N    N 122.737 0.400 1 
      1024  92  92 ASP H    H   8.805 0.020 1 
      1025  92  92 ASP HA   H   4.609 0.020 1 
      1026  92  92 ASP HB2  H   2.677 0.020 2 
      1027  92  92 ASP HB3  H   2.677 0.020 2 
      1028  92  92 ASP C    C 177.200 0.400 1 
      1029  92  92 ASP CA   C  54.742 0.400 1 
      1030  92  92 ASP CB   C  40.740 0.400 1 
      1031  92  92 ASP N    N 119.209 0.400 1 
      1032  93  93 GLY H    H   8.373 0.020 1 
      1033  93  93 GLY HA2  H   3.882 0.020 2 
      1034  93  93 GLY HA3  H   3.882 0.020 2 
      1035  93  93 GLY C    C 175.000 0.400 1 
      1036  93  93 GLY CA   C  46.697 0.400 1 
      1037  93  93 GLY N    N 109.994 0.400 1 
      1038  94  94 ASP H    H   8.631 0.020 1 
      1039  94  94 ASP HA   H   4.543 0.020 1 
      1040  94  94 ASP HB2  H   2.747 0.020 2 
      1041  94  94 ASP HB3  H   2.505 0.020 2 
      1042  94  94 ASP C    C 177.400 0.400 1 
      1043  94  94 ASP CA   C  53.587 0.400 1 
      1044  94  94 ASP CB   C  40.743 0.400 1 
      1045  94  94 ASP N    N 120.219 0.400 1 
      1046  95  95 GLY H    H   9.620 0.020 1 
      1047  95  95 GLY HA2  H   3.964 0.020 2 
      1048  95  95 GLY HA3  H   3.549 0.020 2 
      1049  95  95 GLY C    C 172.595 0.400 1 
      1050  95  95 GLY CA   C  46.386 0.400 1 
      1051  95  95 GLY N    N 111.378 0.400 1 
      1052  96  96 LYS H    H   7.605 0.020 1 
      1053  96  96 LYS HA   H   4.759 0.020 1 
      1054  96  96 LYS HB2  H   1.500 0.020 2 
      1055  96  96 LYS HB3  H   1.440 0.020 2 
      1056  96  96 LYS HD2  H   0.760 0.020 2 
      1057  96  96 LYS HD3  H   0.760 0.020 2 
      1058  96  96 LYS HE2  H   2.170 0.020 2 
      1059  96  96 LYS HE3  H   1.980 0.020 2 
      1060  96  96 LYS HG2  H   0.885 0.020 2 
      1061  96  96 LYS HG3  H   0.885 0.020 2 
      1062  96  96 LYS C    C 174.500 0.400 1 
      1063  96  96 LYS CA   C  54.486 0.400 1 
      1064  96  96 LYS CB   C  35.640 0.400 1 
      1065  96  96 LYS CD   C  29.001 0.400 1 
      1066  96  96 LYS CE   C  41.490 0.400 1 
      1067  96  96 LYS CG   C  23.530 0.400 1 
      1068  96  96 LYS N    N 116.536 0.400 1 
      1069  97  97 ILE H    H   8.638 0.020 1 
      1070  97  97 ILE HA   H   4.547 0.020 1 
      1071  97  97 ILE HB   H   1.920 0.020 1 
      1072  97  97 ILE HD1  H   0.650 0.020 1 
      1073  97  97 ILE HG12 H   1.550 0.020 2 
      1074  97  97 ILE HG13 H   0.800 0.020 2 
      1075  97  97 ILE HG2  H   1.120 0.020 1 
      1076  97  97 ILE C    C 176.200 0.400 1 
      1077  97  97 ILE CA   C  60.785 0.400 1 
      1078  97  97 ILE CB   C  40.658 0.400 1 
      1079  97  97 ILE CD1  C  14.800 0.400 1 
      1080  97  97 ILE CG1  C  26.880 0.400 1 
      1081  97  97 ILE CG2  C  17.600 0.400 1 
      1082  97  97 ILE N    N 119.107 0.400 1 
      1083  98  98 GLY H    H   9.088 0.020 1 
      1084  98  98 GLY HA2  H   4.785 0.020 2 
      1085  98  98 GLY HA3  H   3.937 0.020 2 
      1086  98  98 GLY C    C 174.094 0.400 1 
      1087  98  98 GLY CA   C  44.310 0.400 1 
      1088  98  98 GLY N    N 114.979 0.400 1 
      1089  99  99 ALA H    H   8.023 0.020 1 
      1090  99  99 ALA HA   H   2.410 0.020 1 
      1091  99  99 ALA HB   H   0.780 0.020 1 
      1092  99  99 ALA C    C 180.500 0.400 1 
      1093  99  99 ALA CA   C  55.685 0.400 1 
      1094  99  99 ALA CB   C  18.598 0.400 1 
      1095  99  99 ALA N    N 122.123 0.400 1 
      1096 100 100 GLU H    H   8.464 0.020 1 
      1097 100 100 GLU HA   H   3.937 0.020 1 
      1098 100 100 GLU HB2  H   1.965 0.020 2 
      1099 100 100 GLU HB3  H   1.965 0.020 2 
      1100 100 100 GLU HG2  H   2.255 0.020 2 
      1101 100 100 GLU HG3  H   2.255 0.020 2 
      1102 100 100 GLU C    C 179.100 0.400 1 
      1103 100 100 GLU CA   C  59.795 0.400 1 
      1104 100 100 GLU CB   C  28.508 0.400 1 
      1105 100 100 GLU CG   C  36.570 0.400 1 
      1106 100 100 GLU N    N 117.535 0.400 1 
      1107 101 101 GLU H    H   8.056 0.020 1 
      1108 101 101 GLU HA   H   4.019 0.020 1 
      1109 101 101 GLU HB2  H   2.375 0.020 2 
      1110 101 101 GLU HB3  H   2.199 0.020 2 
      1111 101 101 GLU HG2  H   2.430 0.020 2 
      1112 101 101 GLU HG3  H   2.430 0.020 2 
      1113 101 101 GLU C    C 179.800 0.400 1 
      1114 101 101 GLU CA   C  59.546 0.400 1 
      1115 101 101 GLU CB   C  29.816 0.400 1 
      1116 101 101 GLU CG   C  37.820 0.400 1 
      1117 101 101 GLU N    N 120.410 0.400 1 
      1118 102 102 PHE H    H   8.639 0.020 1 
      1119 102 102 PHE HA   H   4.001 0.020 1 
      1120 102 102 PHE HB2  H   3.120 0.020 2 
      1121 102 102 PHE HB3  H   3.120 0.020 2 
      1122 102 102 PHE C    C 175.500 0.400 1 
      1123 102 102 PHE CA   C  61.923 0.400 1 
      1124 102 102 PHE CB   C  39.930 0.400 1 
      1125 102 102 PHE N    N 120.792 0.400 1 
      1126 103 103 GLN H    H   7.966 0.020 1 
      1127 103 103 GLN HA   H   3.419 0.020 1 
      1128 103 103 GLN HB2  H   2.100 0.020 2 
      1129 103 103 GLN HB3  H   2.100 0.020 2 
      1130 103 103 GLN HE21 H   7.259 0.020 2 
      1131 103 103 GLN HE22 H   6.870 0.020 2 
      1132 103 103 GLN HG2  H   2.230 0.020 2 
      1133 103 103 GLN HG3  H   2.230 0.020 2 
      1134 103 103 GLN C    C 177.100 0.400 1 
      1135 103 103 GLN CA   C  59.807 0.400 1 
      1136 103 103 GLN CB   C  29.217 0.400 1 
      1137 103 103 GLN CG   C  33.240 0.400 1 
      1138 103 103 GLN N    N 117.630 0.400 1 
      1139 103 103 GLN NE2  N 110.800 0.400 1 
      1140 104 104 GLU H    H   7.969 0.020 1 
      1141 104 104 GLU HA   H   3.913 0.020 1 
      1142 104 104 GLU HB2  H   2.014 0.020 2 
      1143 104 104 GLU HB3  H   2.014 0.020 2 
      1144 104 104 GLU HG2  H   2.369 0.020 2 
      1145 104 104 GLU HG3  H   2.216 0.020 2 
      1146 104 104 GLU C    C 178.900 0.400 1 
      1147 104 104 GLU CA   C  58.980 0.400 1 
      1148 104 104 GLU CB   C  29.485 0.400 1 
      1149 104 104 GLU CG   C  35.890 0.400 1 
      1150 104 104 GLU N    N 116.874 0.400 1 
      1151 105 105 MET H    H   7.862 0.020 1 
      1152 105 105 MET HA   H   4.166 0.020 1 
      1153 105 105 MET HB2  H   2.175 0.020 2 
      1154 105 105 MET HB3  H   2.175 0.020 2 
      1155 105 105 MET HE   H   1.968 0.020 1 
      1156 105 105 MET HG2  H   2.600 0.020 2 
      1157 105 105 MET HG3  H   2.480 0.020 2 
      1158 105 105 MET C    C 177.900 0.400 1 
      1159 105 105 MET CA   C  58.415 0.400 1 
      1160 105 105 MET CB   C  31.946 0.400 1 
      1161 105 105 MET CE   C  17.650 0.400 1 
      1162 105 105 MET CG   C  41.840 0.400 1 
      1163 105 105 MET N    N 118.451 0.400 1 
      1164 106 106 VAL H    H   7.536 0.020 1 
      1165 106 106 VAL HA   H   2.970 0.020 1 
      1166 106 106 VAL HB   H   1.380 0.020 1 
      1167 106 106 VAL HG1  H   0.296 0.020 1 
      1168 106 106 VAL HG2  H  -0.670 0.020 1 
      1169 106 106 VAL C    C 177.100 0.400 1 
      1170 106 106 VAL CA   C  64.952 0.400 1 
      1171 106 106 VAL CB   C  31.325 0.400 1 
      1172 106 106 VAL CG1  C  23.770 0.400 1 
      1173 106 106 VAL CG2  C  21.320 0.400 1 
      1174 106 106 VAL N    N 119.091 0.400 1 
      1175 107 107 GLN H    H   7.497 0.020 1 
      1176 107 107 GLN HA   H   4.250 0.020 1 
      1177 107 107 GLN HB2  H   2.091 0.020 2 
      1178 107 107 GLN HB3  H   1.930 0.020 2 
      1179 107 107 GLN HE21 H   7.237 0.020 2 
      1180 107 107 GLN HE22 H   6.661 0.020 2 
      1181 107 107 GLN HG2  H   2.376 0.020 2 
      1182 107 107 GLN HG3  H   2.214 0.020 2 
      1183 107 107 GLN C    C 175.800 0.400 1 
      1184 107 107 GLN CA   C  56.730 0.400 1 
      1185 107 107 GLN CB   C  29.200 0.400 1 
      1186 107 107 GLN CG   C  34.660 0.400 1 
      1187 107 107 GLN N    N 115.119 0.400 1 
      1188 107 107 GLN NE2  N 110.600 0.400 1 
      1189 108 108 SER H    H   7.449 0.020 1 
      1190 108 108 SER HA   H   4.200 0.020 1 
      1191 108 108 SER HB2  H   3.950 0.020 2 
      1192 108 108 SER HB3  H   3.950 0.020 2 
      1193 108 108 SER C    C 179.100 0.400 1 
      1194 108 108 SER CA   C  60.947 0.400 1 
      1195 108 108 SER CB   C  64.953 0.400 1 
      1196 108 108 SER N    N 120.686 0.400 1 

   stop_

save_