data_15914

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

save_entry_information
   _Saveframe_category      entry_information

   _Entry_title            
;
Backbone 1H, 13C and 15N Chemical Shift Assignments for Binder of Arl2 (BART)
;
   _BMRB_accession_number   15914
   _BMRB_flat_file_name     bmr15914.str
   _Entry_type              original
   _Submission_date         2008-08-08
   _Accession_date          2008-08-08
   _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 Bailey      Laura   K. . 
      2 Campbell    Louise  J. . 
      3 Evetts      Katrina A. . 
      4 Littlefield Keily   .  . 
      5 Rajendra    Eeson   .  . 
      6 Nietlispach Daniel  .  . 
      7 Owen        Darerca .  . 
      8 Mott        Helen   R. . 

   stop_

   loop_
      _Saveframe_category_type
      _Saveframe_category_type_count

      assigned_chemical_shifts 1 

   stop_

   loop_
      _Data_type
      _Data_type_count

      "1H chemical shifts"  766 
      "13C chemical shifts" 576 
      "15N chemical shifts" 133 

   stop_

   loop_
      _Revision_date
      _Revision_keyword
      _Revision_author
      _Revision_detail

      2010-05-27 update   BMRB   'update entity/assembly name' 
      2009-02-27 update   BMRB   'complete entry citation'     
      2008-11-19 original author 'original release'            

   stop_

save_


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

save_entry_citation
   _Saveframe_category           entry_citation

   _Citation_full                .
   _Citation_title              'The structure of binder of Arl2 (BART) reveals a novel G protein binding domain: Implications for function.'
   _Citation_status              published
   _Citation_type                journal
   _CAS_abstract_code            .
   _MEDLINE_UI_code              .
   _PubMed_ID                    18981177

   loop_
      _Author_ordinal
      _Author_family_name
      _Author_given_name
      _Author_middle_initials
      _Author_family_title

      1 Bailey      Laura   K. . 
      2 Campbell    Louise  J. . 
      3 Evetts      Katrina A. . 
      4 Littlefield Keily   .  . 
      5 Rajendra    Eeson   .  . 
      6 Nietlispach Daniel  .  . 
      7 Owen        Darerca .  . 
      8 Mott        Helen   R. . 

   stop_

   _Journal_abbreviation        'J. Biol. Chem.'
   _Journal_volume               284
   _Journal_issue                2
   _Journal_CSD                  .
   _Book_chapter_title           .
   _Book_volume                  .
   _Book_series                  .
   _Book_ISBN                    .
   _Conference_state_province    .
   _Conference_abstract_number   .
   _Page_first                   992
   _Page_last                    999
   _Year                         2009
   _Details                      .

save_


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

save_assembly
   _Saveframe_category         molecular_system

   _Mol_system_name           'Binder of Arl2'
   _Enzyme_commission_number   .

   loop_
      _Mol_system_component_name
      _Mol_label

      'Binder of Arl2' $entity 

   stop_

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

save_


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

save_entity
   _Saveframe_category                          monomeric_polymer

   _Mol_type                                    polymer
   _Mol_polymer_class                           protein
   _Name_common                                'Binder of Arl2'
   _Molecular_mass                              16024.985
   _Mol_thiol_state                            'all free'
   _Details                                     .

   	##############################
   	#  Polymer residue sequence  #
   	##############################
   
      _Residue_count                               137
   _Mol_residue_sequence                       
;
HMDALEGESFALSFSSASDA
EFDAVVGYLEDIIMDDEFQL
LQRNFMDKYYLEFEDTEENK
LIYTPIFNEYISLVEKYIEE
QLLQRIPEFNMAAFTTTLQH
HKDEVAGDIFDMLLTFTDFL
AFKEMFLDYRAEKEGRG
;

   loop_
      _Residue_seq_code
      _Residue_author_seq_code
      _Residue_label

        1   0 HIS    2   1 MET    3   2 ASP    4   3 ALA    5   4 LEU 
        6   5 GLU    7   6 GLY    8   7 GLU    9   8 SER   10   9 PHE 
       11  10 ALA   12  11 LEU   13  12 SER   14  13 PHE   15  14 SER 
       16  15 SER   17  16 ALA   18  17 SER   19  18 ASP   20  19 ALA 
       21  20 GLU   22  21 PHE   23  22 ASP   24  23 ALA   25  24 VAL 
       26  25 VAL   27  26 GLY   28  27 TYR   29  28 LEU   30  29 GLU 
       31  30 ASP   32  31 ILE   33  32 ILE   34  33 MET   35  34 ASP 
       36  35 ASP   37  36 GLU   38  37 PHE   39  38 GLN   40  39 LEU 
       41  40 LEU   42  41 GLN   43  42 ARG   44  43 ASN   45  44 PHE 
       46  45 MET   47  46 ASP   48  47 LYS   49  48 TYR   50  49 TYR 
       51  50 LEU   52  51 GLU   53  52 PHE   54  53 GLU   55  54 ASP 
       56  55 THR   57  56 GLU   58  57 GLU   59  58 ASN   60  59 LYS 
       61  60 LEU   62  61 ILE   63  62 TYR   64  63 THR   65  64 PRO 
       66  65 ILE   67  66 PHE   68  67 ASN   69  68 GLU   70  69 TYR 
       71  70 ILE   72  71 SER   73  72 LEU   74  73 VAL   75  74 GLU 
       76  75 LYS   77  76 TYR   78  77 ILE   79  78 GLU   80  79 GLU 
       81  80 GLN   82  81 LEU   83  82 LEU   84  83 GLN   85  84 ARG 
       86  85 ILE   87  86 PRO   88  87 GLU   89  88 PHE   90  89 ASN 
       91  90 MET   92  91 ALA   93  92 ALA   94  93 PHE   95  94 THR 
       96  95 THR   97  96 THR   98  97 LEU   99  98 GLN  100  99 HIS 
      101 100 HIS  102 101 LYS  103 102 ASP  104 103 GLU  105 104 VAL 
      106 105 ALA  107 106 GLY  108 107 ASP  109 108 ILE  110 109 PHE 
      111 110 ASP  112 111 MET  113 112 LEU  114 113 LEU  115 114 THR 
      116 115 PHE  117 116 THR  118 117 ASP  119 118 PHE  120 119 LEU 
      121 120 ALA  122 121 PHE  123 122 LYS  124 123 GLU  125 124 MET 
      126 125 PHE  127 126 LEU  128 127 ASP  129 128 TYR  130 129 ARG 
      131 130 ALA  132 131 GLU  133 132 LYS  134 133 GLU  135 134 GLY 
      136 135 ARG  137 136 GLY 

   stop_

   _Sequence_homology_query_date                .
   _Sequence_homology_query_revised_last_date   2015-10-07

   loop_
      _Database_name
      _Database_accession_code
      _Database_entry_mol_name
      _Sequence_query_to_submitted_percentage
      _Sequence_subject_length
      _Sequence_identity
      _Sequence_positive
      _Sequence_homology_expectation_value

      PDB  2K9A         "The Solution Structure Of The Arl2 Effector, Bart"                                                                               100.00 137 100.00 100.00 4.69e-92 
      PDB  3DOE         "Complex Of Arl2 And Bart, Crystal Form 1"                                                                                         99.27 165 100.00 100.00 2.37e-91 
      PDB  3DOF         "Complex Of Arl2 And Bart, Crystal Form 2"                                                                                         99.27 165 100.00 100.00 2.37e-91 
      DBJ  BAE00391     "unnamed protein product [Macaca fascicularis]"                                                                                    99.27 163  97.79  97.79 1.71e-88 
      DBJ  BAG52057     "unnamed protein product [Homo sapiens]"                                                                                           99.27 163 100.00 100.00 2.31e-91 
      DBJ  BAG60900     "unnamed protein product [Homo sapiens]"                                                                                           71.53 141 100.00 100.00 2.86e-62 
      DBJ  BAK62297     "ADP-ribosylation factor-like protein 2-binding protein [Pan troglodytes]"                                                         99.27 163 100.00 100.00 2.31e-91 
      EMBL CAH91552     "hypothetical protein [Pongo abelii]"                                                                                              99.27 163  97.79  97.79 2.82e-88 
      GB   AAD20633     "Arf-like 2 binding protein BART1 [Homo sapiens]"                                                                                  99.27 163 100.00 100.00 2.31e-91 
      GB   AAH03087     "ADP-ribosylation factor-like 2 binding protein [Homo sapiens]"                                                                    99.27 163 100.00 100.00 2.31e-91 
      GB   AIC50989     "ARL2BP, partial [synthetic construct]"                                                                                            99.27 163 100.00 100.00 2.31e-91 
      GB   EAW82913     "ADP-ribosylation factor-like 2 binding protein, isoform CRA_a [Homo sapiens]"                                                     99.27 163 100.00 100.00 2.31e-91 
      GB   EAW82914     "ADP-ribosylation factor-like 2 binding protein, isoform CRA_a [Homo sapiens]"                                                     99.27 163 100.00 100.00 2.31e-91 
      REF  NP_001125911 "ADP-ribosylation factor-like protein 2-binding protein [Pongo abelii]"                                                            99.27 163  97.79  97.79 2.82e-88 
      REF  NP_001233387 "ADP-ribosylation factor-like protein 2-binding protein [Pan troglodytes]"                                                         99.27 163 100.00 100.00 2.31e-91 
      REF  NP_001253957 "ADP-ribosylation factor-like protein 2-binding protein [Macaca mulatta]"                                                          99.27 163  97.79  97.79 1.71e-88 
      REF  NP_001271553 "ADP-ribosylation factor-like protein 2-binding protein [Macaca fascicularis]"                                                     99.27 163  97.79  97.79 1.71e-88 
      REF  NP_036238    "ADP-ribosylation factor-like protein 2-binding protein [Homo sapiens]"                                                            99.27 163 100.00 100.00 2.31e-91 
      SP   Q4R930       "RecName: Full=ADP-ribosylation factor-like protein 2-binding protein; Short=ARF-like 2-binding protein"                           99.27 163  97.79  97.79 1.71e-88 
      SP   Q5R9K8       "RecName: Full=ADP-ribosylation factor-like protein 2-binding protein; Short=ARF-like 2-binding protein"                           99.27 163  97.79  97.79 2.82e-88 
      SP   Q9Y2Y0       "RecName: Full=ADP-ribosylation factor-like protein 2-binding protein; Short=ARF-like 2-binding protein; Short=ARL2-binding prot"  99.27 163 100.00 100.00 2.31e-91 

   stop_

save_


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

save_natural_source
   _Saveframe_category   natural_source


   loop_
      _Mol_label
      _Organism_name_common
      _NCBI_taxonomy_ID
      _Superkingdom
      _Kingdom
      _Genus
      _Species

      $entity Human 9606 Eukaryota Metazoa Homo sapiens 

   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

      $entity 'recombinant technology' . Escherichia coli . 'pET 16b' 

   stop_

save_


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

save_sample_2
   _Saveframe_category   sample

   _Sample_type          solution
   _Details              .

   loop_
      _Mol_label
      _Concentration_value
      _Concentration_value_units
      _Isotopic_labeling

      $entity              1    mM '[U-100% 15N]'      
       D2O                10    %  'natural abundance' 
      'sodium phosphate'  50    mM 'natural abundance' 
      'sodium chloride'  150    mM 'natural abundance' 
      'sodium azide'       0.05 %  'natural abundance' 
       H2O                90    %  'natural abundance' 

   stop_

save_


save_sample_1
   _Saveframe_category   sample

   _Sample_type          solution
   _Details              .

   loop_
      _Mol_label
      _Concentration_value
      _Concentration_value_units
      _Isotopic_labeling

      $entity              1    mM '[U-100% 13C; U-100% 15N]' 
       D2O                10    %  'natural abundance'        
      'sodium phosphate'  50    mM 'natural abundance'        
      'sodium chloride'  150    mM 'natural abundance'        
      'sodium azide'       0.05 %  'natural abundance'        
       H2O                90    %  'natural abundance'        

   stop_

save_


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

save_ARIA
   _Saveframe_category   software

   _Name                 ARIA
   _Version              .

   loop_
      _Vendor
      _Address
      _Electronic_address

      'Linge, O'Donoghue and Nilges' . . 

   stop_

   loop_
      _Task

      'structure solution' 

   stop_

   _Details              .

save_


save_CNS
   _Saveframe_category   software

   _Name                 CNS
   _Version              .

   loop_
      _Vendor
      _Address
      _Electronic_address

      'Brunger, Adams, Clore, Gros, Nilges and Read' . . 

   stop_

   loop_
      _Task

      'structure solution' 

   stop_

   _Details              .

save_


save_CcpNmr_Analysis
   _Saveframe_category   software

   _Name                 ANALYSIS
   _Version              .

   loop_
      _Vendor
      _Address
      _Electronic_address

      CCPN . . 

   stop_

   loop_
      _Task

      'chemical shift assignment'  
      'chemical shift calculation' 
      'peak picking'               

   stop_

   _Details              .

save_


save_AZARA
   _Saveframe_category   software

   _Name                 AZARA
   _Version              .

   loop_
      _Vendor
      _Address
      _Electronic_address

      Boucher . . 

   stop_

   loop_
      _Task

      processing 

   stop_

   _Details              .

save_


save_TALOS
   _Saveframe_category   software

   _Name                 TALOS
   _Version              .

   loop_
      _Vendor
      _Address
      _Electronic_address

      'Cornilescu, Delaglio and Bax' . . 

   stop_

   loop_
      _Task

      'Torsion angle prediction' 

   stop_

   _Details              .

save_


save_Tensor2
   _Saveframe_category   software

   _Name                 Tensor2
   _Version              .

   loop_
      _Vendor
      _Address
      _Electronic_address

      'P. Dosset, J-C. Hus, M. Blackledge, D. Marion' . . 

   stop_

   loop_
      _Task

      'Model free analysis' 

   stop_

   _Details              .

save_


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

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

save_spectrometer_1
   _Saveframe_category   NMR_spectrometer

   _Manufacturer         Bruker
   _Model                DRX
   _Field_strength       500
   _Details              .

save_


save_spectrometer_2
   _Saveframe_category   NMR_spectrometer

   _Manufacturer         Bruker
   _Model                DRX
   _Field_strength       600
   _Details              .

save_


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

save_2D_1H-15N_HSQC_1
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '2D 1H-15N HSQC'
   _Sample_label        $sample_2

save_


save_2D_1H-13C_HSQC_2
   _Saveframe_category   NMR_applied_experiment

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

save_


save_3D_HNCO_3
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D HNCO'
   _Sample_label        $sample_2

save_


save_3D_HNCA_4
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D HNCA'
   _Sample_label        $sample_1

save_


save_3D_HN(CO)CA_5
   _Saveframe_category   NMR_applied_experiment

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

save_


save_3D_HNCACB_6
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D HNCACB'
   _Sample_label        $sample_1

save_


save_3D_HN(CO)CACB_7
   _Saveframe_category   NMR_applied_experiment

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

save_


save_3D_1H-13C_NOESY_8
   _Saveframe_category   NMR_applied_experiment

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

save_


save_3D_HCCH-TOCSY_9
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D HCCH-TOCSY'
   _Sample_label        $sample_1

save_


save_3D_1H-15N_NOESY_10
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D 1H-15N NOESY'
   _Sample_label        $sample_2

save_


save_3D_1H-15N_TOCSY_11
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D 1H-15N TOCSY'
   _Sample_label        $sample_2

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'  20 . mM  
       pH                6 . pH  
       pressure          1 . atm 
       temperature     298 . K   

   stop_

save_


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

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

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

save_chemical_shift_reference_1
   _Saveframe_category   chemical_shift_reference

   _Details              .

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

      DSS C 13 'methyl protons' ppm 0 na       indirect . . . 0.251449530 
      DSS H  1 'methyl protons' ppm 0 internal direct   . . . 1           
      DSS N 15 'methyl protons' ppm 0 na       indirect . . . 0.101329118 

   stop_

save_


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

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

   _Details                          .

   loop_
      _Experiment_label

      '2D 1H-15N HSQC'  
      '2D 1H-13C HSQC'  
      '3D HNCA'         
      '3D HN(CO)CA'     
      '3D HNCACB'       
      '3D HN(CO)CACB'   
      '3D 1H-13C NOESY' 
      '3D HCCH-TOCSY'   
      '3D 1H-15N NOESY' 
      '3D 1H-15N TOCSY' 

   stop_

   loop_
      _Sample_label

      $sample_2 
      $sample_1 

   stop_

   _Sample_conditions_label         $sample_conditions_1
   _Chem_shift_reference_set_label  $chemical_shift_reference_1
   _Mol_system_component_name       'Binder of Arl2'
   _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  13  14 PHE CA   C  58.199 0.000 1 
         2  13  14 PHE CB   C  39.717 0.000 1 
         3  14  15 SER H    H   8.299 0.004 1 
         4  14  15 SER HA   H   4.359 0.001 1 
         5  14  15 SER HB2  H   3.793 0.003 2 
         6  14  15 SER HB3  H   3.876 0.001 2 
         7  14  15 SER CA   C  58.249 0.078 1 
         8  14  15 SER CB   C  63.936 0.034 1 
         9  14  15 SER N    N 117.379 0.034 1 
        10  15  16 SER H    H   8.255 0.007 1 
        11  15  16 SER HA   H   3.729 0.025 1 
        12  15  16 SER HB2  H   4.364 0.000 1 
        13  15  16 SER HB3  H   4.364 0.000 1 
        14  15  16 SER CA   C  58.224 0.130 1 
        15  15  16 SER CB   C  63.886 0.042 1 
        16  15  16 SER N    N 117.694 0.046 1 
        17  16  17 ALA H    H   8.333 0.066 1 
        18  16  17 ALA HA   H   4.252 0.003 1 
        19  16  17 ALA HB   H   1.337 0.026 1 
        20  16  17 ALA CA   C  53.377 0.135 1 
        21  16  17 ALA CB   C  18.896 0.050 1 
        22  16  17 ALA N    N 125.462 0.065 1 
        23  17  18 SER H    H   8.219 0.010 1 
        24  17  18 SER HA   H   4.332 0.003 1 
        25  17  18 SER HB2  H   3.796 0.001 2 
        26  17  18 SER HB3  H   3.879 0.004 2 
        27  17  18 SER CA   C  59.105 0.259 1 
        28  17  18 SER CB   C  63.592 0.098 1 
        29  17  18 SER N    N 114.821 0.022 1 
        30  18  19 ASP H    H   8.309 0.009 1 
        31  18  19 ASP HA   H   4.554 0.003 1 
        32  18  19 ASP HB2  H   2.635 0.011 2 
        33  18  19 ASP HB3  H   2.766 0.005 2 
        34  18  19 ASP C    C 176.528 0.000 1 
        35  18  19 ASP CA   C  55.272 0.057 1 
        36  18  19 ASP CB   C  40.883 0.074 1 
        37  18  19 ASP N    N 123.367 0.042 1 
        38  19  20 ALA H    H   8.133 0.019 1 
        39  19  20 ALA HA   H   4.170 0.017 1 
        40  19  20 ALA HB   H   1.395 0.014 1 
        41  19  20 ALA C    C 179.857 0.000 1 
        42  19  20 ALA CA   C  54.341 0.052 1 
        43  19  20 ALA CB   C  18.660 0.055 1 
        44  19  20 ALA N    N 123.350 0.049 1 
        45  20  21 GLU H    H   8.140 0.008 1 
        46  20  21 GLU HA   H   4.128 0.007 1 
        47  20  21 GLU HB2  H   2.081 0.016 1 
        48  20  21 GLU HB3  H   2.081 0.016 1 
        49  20  21 GLU HG2  H   2.251 0.015 2 
        50  20  21 GLU HG3  H   2.306 0.003 2 
        51  20  21 GLU C    C 177.675 0.000 1 
        52  20  21 GLU CA   C  58.520 0.048 1 
        53  20  21 GLU CB   C  29.765 0.044 1 
        54  20  21 GLU CG   C  36.645 0.018 1 
        55  20  21 GLU N    N 119.063 0.070 1 
        56  21  22 PHE H    H   8.009 0.006 1 
        57  21  22 PHE HA   H   4.123 0.009 1 
        58  21  22 PHE HB2  H   2.965 0.004 2 
        59  21  22 PHE HB3  H   3.107 0.002 2 
        60  21  22 PHE HD1  H   7.076 0.005 3 
        61  21  22 PHE HD2  H   7.076 0.005 3 
        62  21  22 PHE HE1  H   6.795 0.002 3 
        63  21  22 PHE HE2  H   6.795 0.002 3 
        64  21  22 PHE C    C 176.410 0.000 1 
        65  21  22 PHE CA   C  62.202 0.065 1 
        66  21  22 PHE CB   C  39.223 0.026 1 
        67  21  22 PHE CD1  C 132.202 0.066 3 
        68  21  22 PHE CD2  C 132.202 0.066 3 
        69  21  22 PHE CE1  C 130.817 0.039 3 
        70  21  22 PHE CE2  C 130.817 0.039 3 
        71  21  22 PHE N    N 121.211 0.035 1 
        72  22  23 ASP H    H   8.261 0.007 1 
        73  22  23 ASP HA   H   4.041 0.007 1 
        74  22  23 ASP HB2  H   2.531 0.015 2 
        75  22  23 ASP HB3  H   2.567 0.015 2 
        76  22  23 ASP C    C 179.078 0.000 1 
        77  22  23 ASP CA   C  57.048 0.065 1 
        78  22  23 ASP CB   C  40.154 0.038 1 
        79  22  23 ASP N    N 116.876 0.064 1 
        80  23  24 ALA H    H   7.651 0.009 1 
        81  23  24 ALA HA   H   3.785 0.003 1 
        82  23  24 ALA HB   H   1.302 0.006 1 
        83  23  24 ALA C    C 179.577 0.000 1 
        84  23  24 ALA CA   C  54.341 0.038 1 
        85  23  24 ALA CB   C  17.762 0.079 1 
        86  23  24 ALA N    N 121.873 0.033 1 
        87  24  25 VAL H    H   7.718 0.012 1 
        88  24  25 VAL HA   H   3.216 0.012 1 
        89  24  25 VAL HB   H   1.915 0.008 1 
        90  24  25 VAL HG1  H   0.101 0.006 2 
        91  24  25 VAL HG2  H   0.906 0.003 2 
        92  24  25 VAL C    C 177.805 0.000 1 
        93  24  25 VAL CA   C  66.789 0.055 1 
        94  24  25 VAL CB   C  31.277 0.045 1 
        95  24  25 VAL CG1  C  22.082 0.050 2 
        96  24  25 VAL CG2  C  23.009 0.088 2 
        97  24  25 VAL N    N 117.890 0.035 1 
        98  25  26 VAL H    H   7.867 0.005 1 
        99  25  26 VAL HA   H   3.274 0.006 1 
       100  25  26 VAL HB   H   1.810 0.006 1 
       101  25  26 VAL HG1  H   0.581 0.007 2 
       102  25  26 VAL HG2  H   0.783 0.005 2 
       103  25  26 VAL C    C 177.788 0.000 1 
       104  25  26 VAL CA   C  67.282 0.066 1 
       105  25  26 VAL CB   C  31.266 0.043 1 
       106  25  26 VAL CG1  C  23.344 0.039 2 
       107  25  26 VAL CG2  C  21.717 0.041 2 
       108  25  26 VAL N    N 118.170 0.027 1 
       109  26  27 GLY H    H   7.544 0.009 1 
       110  26  27 GLY HA2  H   3.592 0.004 2 
       111  26  27 GLY HA3  H   3.721 0.004 2 
       112  26  27 GLY C    C 176.717 0.000 1 
       113  26  27 GLY CA   C  47.085 0.040 1 
       114  26  27 GLY N    N 105.795 0.042 1 
       115  27  28 TYR H    H   7.625 0.006 1 
       116  27  28 TYR HA   H   4.546 0.006 1 
       117  27  28 TYR HB2  H   2.745 0.011 2 
       118  27  28 TYR HB3  H   2.763 0.010 2 
       119  27  28 TYR HD1  H   6.894 0.004 3 
       120  27  28 TYR HD2  H   6.894 0.004 3 
       121  27  28 TYR HE1  H   6.640 0.002 3 
       122  27  28 TYR HE2  H   6.640 0.002 3 
       123  27  28 TYR C    C 178.991 0.000 1 
       124  27  28 TYR CA   C  58.845 0.042 1 
       125  27  28 TYR CB   C  37.602 0.041 1 
       126  27  28 TYR CD1  C 132.093 0.094 3 
       127  27  28 TYR CD2  C 132.093 0.094 3 
       128  27  28 TYR CE1  C 118.002 0.052 3 
       129  27  28 TYR CE2  C 118.002 0.052 3 
       130  27  28 TYR N    N 119.933 0.058 1 
       131  28  29 LEU H    H   8.517 0.013 1 
       132  28  29 LEU HA   H   3.728 0.004 1 
       133  28  29 LEU HB2  H   1.322 0.006 2 
       134  28  29 LEU HB3  H   1.812 0.005 2 
       135  28  29 LEU HD1  H   0.616 0.004 2 
       136  28  29 LEU HD2  H   0.619 0.004 2 
       137  28  29 LEU HG   H   1.507 0.002 1 
       138  28  29 LEU CA   C  58.281 0.076 1 
       139  28  29 LEU CB   C  41.948 0.064 1 
       140  28  29 LEU CD1  C  24.882 0.033 2 
       141  28  29 LEU CD2  C  26.293 0.056 2 
       142  28  29 LEU CG   C  26.923 0.016 1 
       143  28  29 LEU N    N 119.669 0.027 1 
       144  29  30 GLU H    H   8.072 0.006 1 
       145  29  30 GLU HA   H   3.722 0.005 1 
       146  29  30 GLU HB2  H   1.966 0.006 2 
       147  29  30 GLU HB3  H   2.100 0.019 2 
       148  29  30 GLU HG2  H   2.192 0.005 2 
       149  29  30 GLU HG3  H   2.376 0.009 2 
       150  29  30 GLU C    C 177.731 0.000 1 
       151  29  30 GLU CA   C  59.763 0.065 1 
       152  29  30 GLU CB   C  28.844 0.054 1 
       153  29  30 GLU CG   C  35.609 0.046 1 
       154  29  30 GLU N    N 117.666 0.079 1 
       155  30  31 ASP H    H   7.243 0.015 1 
       156  30  31 ASP HA   H   4.297 0.007 1 
       157  30  31 ASP HB2  H   2.647 0.003 2 
       158  30  31 ASP HB3  H   2.824 0.027 2 
       159  30  31 ASP CA   C  56.953 0.031 1 
       160  30  31 ASP CB   C  40.730 0.021 1 
       161  30  31 ASP N    N 116.720 0.033 1 
       162  31  32 ILE H    H   7.940 0.012 1 
       163  31  32 ILE HA   H   3.640 0.013 1 
       164  31  32 ILE HB   H   1.604 0.014 1 
       165  31  32 ILE HD1  H   0.431 0.002 1 
       166  31  32 ILE HG12 H   0.819 0.009 2 
       167  31  32 ILE HG13 H   1.644 0.011 2 
       168  31  32 ILE HG2  H   0.576 0.005 1 
       169  31  32 ILE C    C 177.980 0.000 1 
       170  31  32 ILE CA   C  64.692 0.030 1 
       171  31  32 ILE CB   C  38.938 0.061 1 
       172  31  32 ILE CD1  C  15.105 0.031 1 
       173  31  32 ILE CG1  C  28.995 0.045 1 
       174  31  32 ILE CG2  C  17.341 0.019 1 
       175  31  32 ILE N    N 119.728 0.059 1 
       176  32  33 ILE H    H   7.984 0.015 1 
       177  32  33 ILE HA   H   3.598 0.004 1 
       178  32  33 ILE HB   H   1.696 0.008 1 
       179  32  33 ILE HD1  H   0.564 0.003 1 
       180  32  33 ILE HG12 H   0.954 0.006 2 
       181  32  33 ILE HG13 H   1.200 0.011 2 
       182  32  33 ILE HG2  H   0.555 0.006 1 
       183  32  33 ILE C    C 176.723 0.000 1 
       184  32  33 ILE CA   C  63.241 0.030 1 
       185  32  33 ILE CB   C  37.580 0.067 1 
       186  32  33 ILE CD1  C  14.007 0.043 1 
       187  32  33 ILE CG1  C  27.754 0.060 1 
       188  32  33 ILE CG2  C  17.166 0.057 1 
       189  32  33 ILE N    N 113.919 0.025 1 
       190  33  34 MET H    H   7.288 0.008 1 
       191  33  34 MET HA   H   4.496 0.005 1 
       192  33  34 MET HB2  H   2.080 0.011 2 
       193  33  34 MET HB3  H   2.120 0.018 2 
       194  33  34 MET HE   H   2.011 0.000 1 
       195  33  34 MET HG2  H   2.568 0.005 2 
       196  33  34 MET HG3  H   2.720 0.003 2 
       197  33  34 MET C    C 176.423 0.000 1 
       198  33  34 MET CA   C  54.634 0.057 1 
       199  33  34 MET CB   C  31.934 0.081 1 
       200  33  34 MET CE   C  16.684 0.000 1 
       201  33  34 MET CG   C  32.551 0.032 1 
       202  33  34 MET N    N 115.130 0.038 1 
       203  34  35 ASP H    H   7.405 0.006 1 
       204  34  35 ASP HA   H   4.484 0.003 1 
       205  34  35 ASP HB2  H   2.866 0.006 2 
       206  34  35 ASP HB3  H   3.048 0.013 2 
       207  34  35 ASP C    C 177.139 0.000 1 
       208  34  35 ASP CA   C  54.625 0.019 1 
       209  34  35 ASP CB   C  43.554 0.058 1 
       210  34  35 ASP N    N 121.814 0.031 1 
       211  35  36 ASP H    H   8.765 0.005 1 
       212  35  36 ASP HA   H   4.235 0.002 1 
       213  35  36 ASP HB2  H   2.597 0.004 1 
       214  35  36 ASP HB3  H   2.597 0.004 1 
       215  35  36 ASP C    C 178.320 0.000 1 
       216  35  36 ASP CA   C  57.832 0.039 1 
       217  35  36 ASP CB   C  40.914 0.018 1 
       218  35  36 ASP N    N 125.883 0.034 1 
       219  36  37 GLU H    H   8.905 0.008 1 
       220  36  37 GLU HA   H   3.933 0.004 1 
       221  36  37 GLU HB2  H   2.070 0.015 2 
       222  36  37 GLU HB3  H   2.071 0.012 2 
       223  36  37 GLU HG2  H   2.209 0.016 2 
       224  36  37 GLU HG3  H   2.287 0.021 2 
       225  36  37 GLU C    C 179.304 0.000 1 
       226  36  37 GLU CA   C  59.828 0.053 1 
       227  36  37 GLU CB   C  29.380 0.039 1 
       228  36  37 GLU CG   C  36.610 0.007 1 
       229  36  37 GLU N    N 119.077 0.035 1 
       230  37  38 PHE H    H   7.460 0.008 1 
       231  37  38 PHE HA   H   3.642 0.013 1 
       232  37  38 PHE HB2  H   3.113 0.010 2 
       233  37  38 PHE HB3  H   3.270 0.004 2 
       234  37  38 PHE HD1  H   7.075 0.004 3 
       235  37  38 PHE HD2  H   7.075 0.004 3 
       236  37  38 PHE HE1  H   7.087 0.003 3 
       237  37  38 PHE HE2  H   7.087 0.003 3 
       238  37  38 PHE HZ   H   7.048 0.001 1 
       239  37  38 PHE C    C 176.483 0.000 1 
       240  37  38 PHE CA   C  61.411 0.026 1 
       241  37  38 PHE CB   C  39.355 0.065 1 
       242  37  38 PHE CD1  C 132.329 0.074 3 
       243  37  38 PHE CD2  C 132.329 0.074 3 
       244  37  38 PHE CE1  C 130.681 0.044 3 
       245  37  38 PHE CE2  C 130.681 0.044 3 
       246  37  38 PHE CZ   C 128.962 0.025 1 
       247  37  38 PHE N    N 119.968 0.034 1 
       248  38  39 GLN H    H   7.968 0.009 1 
       249  38  39 GLN HA   H   3.712 0.005 1 
       250  38  39 GLN HB2  H   2.006 0.008 2 
       251  38  39 GLN HB3  H   2.077 0.027 2 
       252  38  39 GLN HE21 H   6.924 0.009 1 
       253  38  39 GLN HE22 H   7.708 0.005 1 
       254  38  39 GLN HG2  H   2.476 0.018 2 
       255  38  39 GLN HG3  H   2.587 0.008 2 
       256  38  39 GLN CA   C  59.153 0.045 1 
       257  38  39 GLN CB   C  28.213 0.046 1 
       258  38  39 GLN CG   C  34.361 0.036 1 
       259  38  39 GLN N    N 116.433 0.047 1 
       260  38  39 GLN NE2  N 112.645 0.055 1 
       261  39  40 LEU H    H   7.930 0.012 1 
       262  39  40 LEU HA   H   3.916 0.020 1 
       263  39  40 LEU HB2  H   1.545 0.012 1 
       264  39  40 LEU HB3  H   1.545 0.012 1 
       265  39  40 LEU HD1  H   0.797 0.006 2 
       266  39  40 LEU HD2  H   0.798 0.005 2 
       267  39  40 LEU HG   H   1.539 0.010 1 
       268  39  40 LEU C    C 177.731 0.000 1 
       269  39  40 LEU CA   C  57.915 0.025 1 
       270  39  40 LEU CB   C  41.989 0.022 1 
       271  39  40 LEU CD1  C  24.359 0.147 2 
       272  39  40 LEU CD2  C  24.339 0.153 2 
       273  39  40 LEU CG   C  26.807 0.025 1 
       274  39  40 LEU N    N 119.505 0.033 1 
       275  40  41 LEU H    H   7.174 0.006 1 
       276  40  41 LEU HA   H   3.835 0.008 1 
       277  40  41 LEU HB2  H   1.369 0.018 2 
       278  40  41 LEU HB3  H   1.468 0.011 2 
       279  40  41 LEU HD1  H   0.410 0.003 2 
       280  40  41 LEU HD2  H   0.618 0.008 2 
       281  40  41 LEU HG   H   1.343 0.016 1 
       282  40  41 LEU C    C 179.738 0.000 1 
       283  40  41 LEU CA   C  58.266 0.030 1 
       284  40  41 LEU CB   C  42.050 0.032 1 
       285  40  41 LEU CD1  C  25.891 0.061 2 
       286  40  41 LEU CD2  C  24.826 0.034 2 
       287  40  41 LEU CG   C  26.310 0.048 1 
       288  40  41 LEU N    N 120.971 0.036 1 
       289  41  42 GLN H    H   8.058 0.007 1 
       290  41  42 GLN HA   H   3.556 0.004 1 
       291  41  42 GLN HB2  H   1.340 0.004 2 
       292  41  42 GLN HB3  H   1.756 0.007 2 
       293  41  42 GLN HE21 H   6.602 0.007 1 
       294  41  42 GLN HE22 H   7.002 0.016 1 
       295  41  42 GLN HG2  H   1.879 0.005 2 
       296  41  42 GLN HG3  H   1.995 0.004 2 
       297  41  42 GLN C    C 177.642 0.000 1 
       298  41  42 GLN CA   C  59.826 0.054 1 
       299  41  42 GLN CB   C  28.762 0.037 1 
       300  41  42 GLN CG   C  33.948 0.035 1 
       301  41  42 GLN N    N 117.899 0.060 1 
       302  41  42 GLN NE2  N 109.658 0.055 1 
       303  42  43 ARG H    H   8.179 0.006 1 
       304  42  43 ARG HA   H   3.655 0.003 1 
       305  42  43 ARG HB2  H   1.800 0.019 2 
       306  42  43 ARG HB3  H   1.824 0.016 2 
       307  42  43 ARG HD2  H   3.137 0.004 1 
       308  42  43 ARG HD3  H   3.137 0.004 1 
       309  42  43 ARG HG2  H   1.552 0.009 2 
       310  42  43 ARG HG3  H   1.552 0.009 2 
       311  42  43 ARG C    C 178.051 0.000 1 
       312  42  43 ARG CA   C  59.766 0.058 1 
       313  42  43 ARG CB   C  29.941 0.040 1 
       314  42  43 ARG CD   C  43.294 0.148 1 
       315  42  43 ARG CG   C  27.540 0.134 1 
       316  42  43 ARG N    N 119.392 0.030 1 
       317  43  44 ASN H    H   8.525 0.005 1 
       318  43  44 ASN HA   H   4.332 0.003 1 
       319  43  44 ASN HB2  H   2.644 0.004 2 
       320  43  44 ASN HB3  H   2.941 0.005 2 
       321  43  44 ASN HD21 H   6.642 0.009 1 
       322  43  44 ASN HD22 H   7.535 0.010 1 
       323  43  44 ASN C    C 178.150 0.000 1 
       324  43  44 ASN CA   C  55.841 0.061 1 
       325  43  44 ASN CB   C  37.632 0.030 1 
       326  43  44 ASN N    N 116.214 0.027 1 
       327  43  44 ASN ND2  N 110.728 0.093 1 
       328  44  45 PHE H    H   7.586 0.008 1 
       329  44  45 PHE HA   H   4.132 0.021 1 
       330  44  45 PHE HB2  H   3.135 0.008 2 
       331  44  45 PHE HB3  H   3.260 0.008 2 
       332  44  45 PHE HD1  H   7.349 0.004 3 
       333  44  45 PHE HD2  H   7.349 0.004 3 
       334  44  45 PHE HE1  H   7.531 0.011 3 
       335  44  45 PHE HE2  H   7.531 0.011 3 
       336  44  45 PHE C    C 176.691 0.000 1 
       337  44  45 PHE CA   C  62.333 0.038 1 
       338  44  45 PHE CB   C  39.449 0.066 1 
       339  44  45 PHE CD1  C 132.170 0.083 3 
       340  44  45 PHE CD2  C 132.170 0.083 3 
       341  44  45 PHE CE1  C 131.378 0.045 3 
       342  44  45 PHE CE2  C 131.378 0.045 3 
       343  44  45 PHE N    N 121.501 0.031 1 
       344  45  46 MET H    H   8.190 0.010 1 
       345  45  46 MET HA   H   4.060 0.011 1 
       346  45  46 MET HB2  H   0.502 0.005 2 
       347  45  46 MET HB3  H   1.365 0.023 2 
       348  45  46 MET HE   H   0.767 0.005 1 
       349  45  46 MET HG2  H   1.826 0.013 2 
       350  45  46 MET HG3  H   2.139 0.004 2 
       351  45  46 MET C    C 179.754 0.000 1 
       352  45  46 MET CA   C  57.742 0.065 1 
       353  45  46 MET CB   C  29.912 0.051 1 
       354  45  46 MET CE   C  16.197 0.038 1 
       355  45  46 MET CG   C  31.309 0.022 1 
       356  45  46 MET N    N 116.727 0.046 1 
       357  46  47 ASP H    H   8.579 0.007 1 
       358  46  47 ASP HA   H   4.804 0.009 1 
       359  46  47 ASP HB2  H   2.612 0.007 2 
       360  46  47 ASP HB3  H   2.766 0.003 2 
       361  46  47 ASP C    C 177.854 0.000 1 
       362  46  47 ASP CA   C  57.277 0.066 1 
       363  46  47 ASP CB   C  40.776 0.047 1 
       364  46  47 ASP N    N 117.798 0.030 1 
       365  47  48 LYS H    H   7.339 0.005 1 
       366  47  48 LYS HA   H   3.828 0.016 1 
       367  47  48 LYS HB2  H   1.221 0.014 2 
       368  47  48 LYS HB3  H   1.454 0.003 2 
       369  47  48 LYS HD2  H   1.213 0.010 2 
       370  47  48 LYS HD3  H   1.338 0.005 2 
       371  47  48 LYS HE2  H   2.686 0.002 2 
       372  47  48 LYS HE3  H   2.686 0.002 2 
       373  47  48 LYS HG2  H   0.113 0.005 2 
       374  47  48 LYS HG3  H   0.901 0.010 2 
       375  47  48 LYS C    C 178.812 0.000 1 
       376  47  48 LYS CA   C  58.953 0.037 1 
       377  47  48 LYS CB   C  32.796 0.053 1 
       378  47  48 LYS CD   C  29.985 0.041 1 
       379  47  48 LYS CE   C  42.068 0.007 1 
       380  47  48 LYS CG   C  24.561 0.063 1 
       381  47  48 LYS N    N 117.852 0.047 1 
       382  48  49 TYR H    H   6.841 0.007 1 
       383  48  49 TYR HA   H   4.995 0.006 1 
       384  48  49 TYR HB2  H   2.358 0.009 2 
       385  48  49 TYR HB3  H   3.222 0.004 2 
       386  48  49 TYR HD1  H   6.570 0.008 3 
       387  48  49 TYR HD2  H   6.570 0.008 3 
       388  48  49 TYR HE1  H   6.692 0.018 3 
       389  48  49 TYR HE2  H   6.692 0.018 3 
       390  48  49 TYR C    C 178.138 0.000 1 
       391  48  49 TYR CA   C  58.620 0.080 1 
       392  48  49 TYR CB   C  42.939 0.050 1 
       393  48  49 TYR CD1  C 133.453 0.027 3 
       394  48  49 TYR CD2  C 133.453 0.027 3 
       395  48  49 TYR CE1  C 117.803 0.154 3 
       396  48  49 TYR CE2  C 117.803 0.154 3 
       397  48  49 TYR N    N 112.109 0.027 1 
       398  49  50 TYR H    H   8.491 0.013 1 
       399  49  50 TYR HA   H   4.598 0.005 1 
       400  49  50 TYR HB2  H   3.230 0.005 2 
       401  49  50 TYR HB3  H   3.744 0.007 2 
       402  49  50 TYR HD1  H   7.344 0.008 3 
       403  49  50 TYR HD2  H   7.344 0.008 3 
       404  49  50 TYR HE1  H   6.882 0.011 3 
       405  49  50 TYR HE2  H   6.882 0.011 3 
       406  49  50 TYR C    C 176.015 0.000 1 
       407  49  50 TYR CA   C  62.442 0.074 1 
       408  49  50 TYR CB   C  36.588 0.052 1 
       409  49  50 TYR CD1  C 133.141 0.060 3 
       410  49  50 TYR CD2  C 133.141 0.060 3 
       411  49  50 TYR CE1  C 118.267 0.040 3 
       412  49  50 TYR CE2  C 118.267 0.040 3 
       413  49  50 TYR N    N 118.294 0.055 1 
       414  50  51 LEU H    H   7.512 0.006 1 
       415  50  51 LEU HA   H   3.878 0.005 1 
       416  50  51 LEU HB2  H   1.219 0.005 2 
       417  50  51 LEU HB3  H   1.354 0.004 2 
       418  50  51 LEU HD1  H   0.613 0.018 2 
       419  50  51 LEU HD2  H   0.641 0.013 2 
       420  50  51 LEU HG   H   0.451 0.004 1 
       421  50  51 LEU C    C 178.625 0.000 1 
       422  50  51 LEU CA   C  55.994 0.118 1 
       423  50  51 LEU CB   C  40.743 0.093 1 
       424  50  51 LEU CD1  C  23.232 0.016 2 
       425  50  51 LEU CD2  C  25.132 0.096 2 
       426  50  51 LEU CG   C  25.810 0.037 1 
       427  50  51 LEU N    N 118.478 0.028 1 
       428  51  52 GLU H    H   8.042 0.006 1 
       429  51  52 GLU HA   H   4.197 0.008 1 
       430  51  52 GLU HB2  H   1.659 0.004 2 
       431  51  52 GLU HB3  H   1.859 0.003 2 
       432  51  52 GLU HG2  H   2.250 0.018 2 
       433  51  52 GLU HG3  H   2.272 0.017 2 
       434  51  52 GLU C    C 177.629 0.000 1 
       435  51  52 GLU CA   C  56.141 0.030 1 
       436  51  52 GLU CB   C  29.162 0.035 1 
       437  51  52 GLU CG   C  34.842 0.040 1 
       438  51  52 GLU N    N 115.067 0.019 1 
       439  52  53 PHE H    H   7.465 0.008 1 
       440  52  53 PHE HA   H   4.431 0.007 1 
       441  52  53 PHE HB2  H   2.390 0.011 2 
       442  52  53 PHE HB3  H   3.003 0.004 2 
       443  52  53 PHE HD1  H   6.552 0.010 3 
       444  52  53 PHE HD2  H   6.552 0.010 3 
       445  52  53 PHE HE1  H   5.971 0.004 3 
       446  52  53 PHE HE2  H   5.971 0.004 3 
       447  52  53 PHE HZ   H   6.446 0.003 1 
       448  52  53 PHE C    C 174.325 0.000 1 
       449  52  53 PHE CA   C  58.986 0.042 1 
       450  52  53 PHE CB   C  40.183 0.053 1 
       451  52  53 PHE CD1  C 131.367 0.044 3 
       452  52  53 PHE CD2  C 131.367 0.044 3 
       453  52  53 PHE CE1  C 129.572 0.049 3 
       454  52  53 PHE CE2  C 129.572 0.049 3 
       455  52  53 PHE CZ   C 128.692 0.182 1 
       456  52  53 PHE N    N 116.768 0.039 1 
       457  53  54 GLU H    H   7.484 0.007 1 
       458  53  54 GLU HA   H   4.583 0.007 1 
       459  53  54 GLU HB2  H   1.673 0.003 2 
       460  53  54 GLU HB3  H   2.035 0.018 2 
       461  53  54 GLU HG2  H   2.057 0.016 2 
       462  53  54 GLU HG3  H   2.059 0.016 2 
       463  53  54 GLU C    C 175.722 0.000 1 
       464  53  54 GLU CA   C  54.248 0.039 1 
       465  53  54 GLU CB   C  34.409 0.040 1 
       466  53  54 GLU CG   C  36.704 0.027 1 
       467  53  54 GLU N    N 118.844 0.033 1 
       468  54  55 ASP H    H   9.008 0.006 1 
       469  54  55 ASP HA   H   4.735 0.008 1 
       470  54  55 ASP HB2  H   2.433 0.004 2 
       471  54  55 ASP HB3  H   2.837 0.007 2 
       472  54  55 ASP C    C 175.421 0.000 1 
       473  54  55 ASP CA   C  52.888 0.006 1 
       474  54  55 ASP CB   C  38.894 0.057 1 
       475  54  55 ASP N    N 123.654 0.043 1 
       476  55  56 THR H    H   7.819 0.007 1 
       477  55  56 THR HA   H   4.574 0.003 1 
       478  55  56 THR HB   H   4.436 0.009 1 
       479  55  56 THR HG2  H   1.091 0.005 1 
       480  55  56 THR C    C 174.096 0.000 1 
       481  55  56 THR CA   C  59.172 0.056 1 
       482  55  56 THR CB   C  71.889 0.036 1 
       483  55  56 THR CG2  C  21.728 0.016 1 
       484  55  56 THR N    N 112.015 0.029 1 
       485  56  57 GLU H    H   8.527 0.007 1 
       486  56  57 GLU HA   H   4.217 0.007 1 
       487  56  57 GLU HB2  H   1.875 0.004 2 
       488  56  57 GLU HB3  H   2.079 0.004 2 
       489  56  57 GLU HG2  H   2.213 0.016 2 
       490  56  57 GLU HG3  H   2.230 0.013 2 
       491  56  57 GLU C    C 177.042 0.000 1 
       492  56  57 GLU CA   C  56.869 0.059 1 
       493  56  57 GLU CB   C  29.731 0.030 1 
       494  56  57 GLU CG   C  36.328 0.018 1 
       495  56  57 GLU N    N 117.531 0.050 1 
       496  57  58 GLU H    H   7.587 0.009 1 
       497  57  58 GLU HA   H   3.941 0.004 1 
       498  57  58 GLU HB2  H   1.765 0.029 2 
       499  57  58 GLU HB3  H   1.827 0.009 2 
       500  57  58 GLU HG2  H   1.828 0.008 2 
       501  57  58 GLU HG3  H   2.136 0.003 2 
       502  57  58 GLU C    C 176.849 0.000 1 
       503  57  58 GLU CA   C  56.924 0.060 1 
       504  57  58 GLU CB   C  30.251 0.046 1 
       505  57  58 GLU CG   C  35.566 0.025 1 
       506  57  58 GLU N    N 119.183 0.041 1 
       507  58  59 ASN H    H   9.120 0.006 1 
       508  58  59 ASN HA   H   4.922 0.004 1 
       509  58  59 ASN HB2  H   2.648 0.004 2 
       510  58  59 ASN HB3  H   2.734 0.024 2 
       511  58  59 ASN HD21 H   6.713 0.006 1 
       512  58  59 ASN HD22 H   7.458 0.010 1 
       513  58  59 ASN C    C 174.254 0.000 1 
       514  58  59 ASN CA   C  51.956 0.051 1 
       515  58  59 ASN CB   C  37.404 0.075 1 
       516  58  59 ASN N    N 126.767 0.037 1 
       517  58  59 ASN ND2  N 111.819 0.104 1 
       518  59  60 LYS H    H   5.892 0.005 1 
       519  59  60 LYS HA   H   3.798 0.006 1 
       520  59  60 LYS HB2  H  -0.212 0.006 2 
       521  59  60 LYS HB3  H   1.312 0.017 2 
       522  59  60 LYS HD2  H   1.452 0.005 1 
       523  59  60 LYS HD3  H   1.452 0.005 1 
       524  59  60 LYS HE2  H   2.730 0.003 2 
       525  59  60 LYS HE3  H   2.730 0.003 2 
       526  59  60 LYS HG2  H   0.878 0.008 2 
       527  59  60 LYS HG3  H   0.981 0.007 2 
       528  59  60 LYS C    C 177.908 0.000 1 
       529  59  60 LYS CA   C  56.623 0.068 1 
       530  59  60 LYS CB   C  32.279 0.028 1 
       531  59  60 LYS CD   C  29.147 0.026 1 
       532  59  60 LYS CE   C  42.045 0.078 1 
       533  59  60 LYS CG   C  25.559 0.100 1 
       534  59  60 LYS N    N 121.527 0.030 1 
       535  60  61 LEU H    H   8.473 0.007 1 
       536  60  61 LEU HA   H   3.891 0.011 1 
       537  60  61 LEU HB2  H   1.420 0.011 2 
       538  60  61 LEU HB3  H   1.574 0.017 2 
       539  60  61 LEU HD1  H   0.804 0.013 2 
       540  60  61 LEU HD2  H   0.831 0.015 2 
       541  60  61 LEU HG   H   1.626 0.017 1 
       542  60  61 LEU C    C 179.843 0.000 1 
       543  60  61 LEU CA   C  58.301 0.097 1 
       544  60  61 LEU CB   C  41.305 0.057 1 
       545  60  61 LEU CD1  C  23.464 0.020 2 
       546  60  61 LEU CD2  C  24.808 0.012 2 
       547  60  61 LEU CG   C  26.975 0.100 1 
       548  60  61 LEU N    N 125.639 0.031 1 
       549  61  62 ILE H    H   7.698 0.008 1 
       550  61  62 ILE HA   H   3.952 0.009 1 
       551  61  62 ILE HB   H   1.725 0.003 1 
       552  61  62 ILE HD1  H   0.776 0.004 1 
       553  61  62 ILE HG12 H   1.248 0.014 2 
       554  61  62 ILE HG13 H   1.391 0.003 2 
       555  61  62 ILE HG2  H   0.601 0.004 1 
       556  61  62 ILE C    C 175.392 0.000 1 
       557  61  62 ILE CA   C  61.743 0.037 1 
       558  61  62 ILE CB   C  39.108 0.023 1 
       559  61  62 ILE CD1  C  14.021 0.038 1 
       560  61  62 ILE CG1  C  28.265 0.032 1 
       561  61  62 ILE CG2  C  17.410 0.037 1 
       562  61  62 ILE N    N 114.111 0.040 1 
       563  62  63 TYR H    H   7.273 0.004 1 
       564  62  63 TYR HA   H   4.343 0.008 1 
       565  62  63 TYR HB2  H   3.346 0.007 1 
       566  62  63 TYR HB3  H   3.346 0.007 1 
       567  62  63 TYR HD1  H   6.697 0.004 3 
       568  62  63 TYR HD2  H   6.697 0.004 3 
       569  62  63 TYR HE1  H   6.709 0.018 3 
       570  62  63 TYR HE2  H   6.709 0.018 3 
       571  62  63 TYR C    C 178.264 0.000 1 
       572  62  63 TYR CA   C  57.231 0.044 1 
       573  62  63 TYR CB   C  36.332 0.066 1 
       574  62  63 TYR CD1  C 131.168 0.035 3 
       575  62  63 TYR CD2  C 131.168 0.035 3 
       576  62  63 TYR CE1  C 117.942 0.132 3 
       577  62  63 TYR CE2  C 117.942 0.132 3 
       578  62  63 TYR N    N 117.689 0.031 1 
       579  63  64 THR H    H   7.747 0.006 1 
       580  63  64 THR HA   H   4.266 0.014 1 
       581  63  64 THR HB   H   4.443 0.006 1 
       582  63  64 THR HG2  H   1.200 0.002 1 
       583  63  64 THR CA   C  69.362 0.064 1 
       584  63  64 THR CB   C  66.962 0.029 1 
       585  63  64 THR CG2  C  21.686 0.038 1 
       586  63  64 THR N    N 113.755 0.035 1 
       587  64  65 PRO HA   H   4.372 0.010 1 
       588  64  65 PRO HB2  H   1.918 0.017 2 
       589  64  65 PRO HB3  H   2.252 0.021 2 
       590  64  65 PRO HD2  H   3.376 0.011 2 
       591  64  65 PRO HD3  H   4.218 0.014 2 
       592  64  65 PRO HG2  H   1.962 0.011 2 
       593  64  65 PRO HG3  H   2.227 0.016 2 
       594  64  65 PRO C    C 179.913 0.000 1 
       595  64  65 PRO CA   C  66.011 0.018 1 
       596  64  65 PRO CB   C  30.642 0.042 1 
       597  64  65 PRO CD   C  49.466 0.080 1 
       598  64  65 PRO CG   C  27.755 0.053 1 
       599  65  66 ILE H    H   7.377 0.006 1 
       600  65  66 ILE HA   H   3.530 0.005 1 
       601  65  66 ILE HB   H   1.801 0.015 1 
       602  65  66 ILE HD1  H   0.467 0.004 1 
       603  65  66 ILE HG12 H  -0.305 0.005 2 
       604  65  66 ILE HG13 H   1.727 0.024 2 
       605  65  66 ILE HG2  H   0.844 0.005 1 
       606  65  66 ILE C    C 177.543 0.000 1 
       607  65  66 ILE CA   C  66.647 0.065 1 
       608  65  66 ILE CB   C  38.029 0.053 1 
       609  65  66 ILE CD1  C  15.589 0.040 1 
       610  65  66 ILE CG1  C  28.184 0.041 1 
       611  65  66 ILE CG2  C  18.012 0.038 1 
       612  65  66 ILE N    N 118.353 0.037 1 
       613  66  67 PHE H    H   8.480 0.018 1 
       614  66  67 PHE HA   H   4.115 0.004 1 
       615  66  67 PHE HB2  H   3.054 0.007 2 
       616  66  67 PHE HB3  H   3.296 0.008 2 
       617  66  67 PHE HD1  H   6.352 0.005 3 
       618  66  67 PHE HD2  H   6.352 0.005 3 
       619  66  67 PHE HE1  H   7.398 0.012 3 
       620  66  67 PHE HE2  H   7.398 0.012 3 
       621  66  67 PHE HZ   H   6.874 0.004 1 
       622  66  67 PHE C    C 177.293 0.000 1 
       623  66  67 PHE CA   C  59.570 0.048 1 
       624  66  67 PHE CB   C  38.865 0.057 1 
       625  66  67 PHE CD1  C 131.205 0.017 3 
       626  66  67 PHE CD2  C 131.205 0.017 3 
       627  66  67 PHE CE1  C 131.324 0.096 3 
       628  66  67 PHE CE2  C 131.324 0.096 3 
       629  66  67 PHE CZ   C 129.574 0.062 1 
       630  66  67 PHE N    N 122.420 0.092 1 
       631  67  68 ASN H    H   8.595 0.008 1 
       632  67  68 ASN HA   H   4.211 0.009 1 
       633  67  68 ASN HB2  H   2.740 0.013 2 
       634  67  68 ASN HB3  H   2.782 0.019 2 
       635  67  68 ASN HD21 H   6.850 0.023 1 
       636  67  68 ASN HD22 H   7.446 0.020 1 
       637  67  68 ASN C    C 178.697 0.000 1 
       638  67  68 ASN CA   C  56.056 0.034 1 
       639  67  68 ASN CB   C  37.704 0.064 1 
       640  67  68 ASN N    N 115.573 0.026 1 
       641  67  68 ASN ND2  N 110.868 0.070 1 
       642  68  69 GLU H    H   8.414 0.014 1 
       643  68  69 GLU HA   H   4.102 0.019 1 
       644  68  69 GLU HB2  H   2.352 0.005 2 
       645  68  69 GLU HB3  H   2.513 0.005 2 
       646  68  69 GLU HG2  H   2.520 0.012 1 
       647  68  69 GLU HG3  H   2.520 0.012 1 
       648  68  69 GLU C    C 177.880 0.000 1 
       649  68  69 GLU CA   C  59.399 0.058 1 
       650  68  69 GLU CB   C  29.855 0.054 1 
       651  68  69 GLU CG   C  36.910 0.072 1 
       652  68  69 GLU N    N 123.510 0.031 1 
       653  69  70 TYR H    H   8.659 0.007 1 
       654  69  70 TYR HA   H   3.362 0.009 1 
       655  69  70 TYR HB2  H   3.397 0.017 1 
       656  69  70 TYR HB3  H   3.397 0.017 1 
       657  69  70 TYR HD1  H   6.642 0.004 3 
       658  69  70 TYR HD2  H   6.642 0.004 3 
       659  69  70 TYR HE1  H   6.652 0.008 3 
       660  69  70 TYR HE2  H   6.652 0.008 3 
       661  69  70 TYR C    C 178.143 0.000 1 
       662  69  70 TYR CA   C  60.686 0.022 1 
       663  69  70 TYR CB   C  38.560 0.049 1 
       664  69  70 TYR CD1  C 133.433 0.008 3 
       665  69  70 TYR CD2  C 133.433 0.008 3 
       666  69  70 TYR CE1  C 118.804 0.057 3 
       667  69  70 TYR CE2  C 118.804 0.057 3 
       668  69  70 TYR N    N 122.130 0.034 1 
       669  70  71 ILE H    H   8.031 0.011 1 
       670  70  71 ILE HA   H   3.265 0.005 1 
       671  70  71 ILE HB   H   1.700 0.004 1 
       672  70  71 ILE HD1  H   0.268 0.004 1 
       673  70  71 ILE HG12 H   1.004 0.008 2 
       674  70  71 ILE HG13 H   1.132 0.007 2 
       675  70  71 ILE HG2  H   0.654 0.003 1 
       676  70  71 ILE C    C 178.056 0.000 1 
       677  70  71 ILE CA   C  63.756 0.051 1 
       678  70  71 ILE CB   C  37.321 0.079 1 
       679  70  71 ILE CD1  C  11.457 0.090 1 
       680  70  71 ILE CG1  C  28.164 0.061 1 
       681  70  71 ILE CG2  C  17.389 0.019 1 
       682  70  71 ILE N    N 118.906 0.058 1 
       683  71  72 SER H    H   7.803 0.006 1 
       684  71  72 SER HA   H   4.029 0.003 1 
       685  71  72 SER HB2  H   3.842 0.014 2 
       686  71  72 SER HB3  H   3.896 0.019 2 
       687  71  72 SER CA   C  61.380 0.069 1 
       688  71  72 SER CB   C  63.288 0.084 1 
       689  71  72 SER N    N 113.735 0.031 1 
       690  72  73 LEU H    H   7.952 0.017 1 
       691  72  73 LEU HA   H   4.418 0.004 1 
       692  72  73 LEU HB2  H   1.546 0.020 2 
       693  72  73 LEU HB3  H   1.600 0.012 2 
       694  72  73 LEU HD1  H   0.913 0.017 2 
       695  72  73 LEU HD2  H   0.971 0.025 2 
       696  72  73 LEU HG   H   1.422 0.005 1 
       697  72  73 LEU C    C 177.767 0.000 1 
       698  72  73 LEU CA   C  56.543 0.038 1 
       699  72  73 LEU CB   C  44.517 0.018 1 
       700  72  73 LEU CD1  C  25.142 0.045 2 
       701  72  73 LEU CD2  C  24.251 0.093 2 
       702  72  73 LEU CG   C  26.956 0.099 1 
       703  72  73 LEU N    N 119.411 0.057 1 
       704  73  74 VAL H    H   8.021 0.018 1 
       705  73  74 VAL HA   H   3.532 0.003 1 
       706  73  74 VAL HB   H   1.511 0.006 1 
       707  73  74 VAL HG1  H   0.458 0.008 2 
       708  73  74 VAL HG2  H   0.770 0.009 2 
       709  73  74 VAL C    C 177.126 0.000 1 
       710  73  74 VAL CA   C  66.250 0.059 1 
       711  73  74 VAL CB   C  31.212 0.036 1 
       712  73  74 VAL CG1  C  21.587 0.057 2 
       713  73  74 VAL CG2  C  21.614 0.073 2 
       714  73  74 VAL N    N 118.747 0.062 1 
       715  74  75 GLU H    H   7.232 0.006 1 
       716  74  75 GLU HA   H   3.013 0.004 1 
       717  74  75 GLU HB2  H   0.718 0.018 2 
       718  74  75 GLU HB3  H   2.272 0.010 2 
       719  74  75 GLU HG2  H   1.673 0.002 2 
       720  74  75 GLU HG3  H   1.789 0.008 2 
       721  74  75 GLU C    C 178.804 0.000 1 
       722  74  75 GLU CA   C  60.536 0.056 1 
       723  74  75 GLU CB   C  27.009 0.090 1 
       724  74  75 GLU CG   C  33.952 0.106 1 
       725  74  75 GLU N    N 118.660 0.029 1 
       726  75  76 LYS H    H   7.051 0.013 1 
       727  75  76 LYS HA   H   3.765 0.005 1 
       728  75  76 LYS HB2  H   1.587 0.021 2 
       729  75  76 LYS HB3  H   1.760 0.005 2 
       730  75  76 LYS HD2  H   1.611 0.020 1 
       731  75  76 LYS HD3  H   1.611 0.020 1 
       732  75  76 LYS HE2  H   2.888 0.003 2 
       733  75  76 LYS HE3  H   2.888 0.003 2 
       734  75  76 LYS HG2  H   1.401 0.004 2 
       735  75  76 LYS HG3  H   1.401 0.004 2 
       736  75  76 LYS C    C 177.765 0.000 1 
       737  75  76 LYS CA   C  58.357 0.040 1 
       738  75  76 LYS CB   C  31.939 0.032 1 
       739  75  76 LYS CD   C  28.345 0.069 1 
       740  75  76 LYS CE   C  42.075 0.034 1 
       741  75  76 LYS CG   C  24.459 0.060 1 
       742  75  76 LYS N    N 116.112 0.027 1 
       743  76  77 TYR H    H   7.067 0.007 1 
       744  76  77 TYR HA   H   4.036 0.004 1 
       745  76  77 TYR HB2  H   3.120 0.006 1 
       746  76  77 TYR HB3  H   3.120 0.006 1 
       747  76  77 TYR HD1  H   6.905 0.005 3 
       748  76  77 TYR HD2  H   6.905 0.005 3 
       749  76  77 TYR HE1  H   6.654 0.006 3 
       750  76  77 TYR HE2  H   6.654 0.006 3 
       751  76  77 TYR C    C 177.752 0.000 1 
       752  76  77 TYR CA   C  61.820 0.085 1 
       753  76  77 TYR CB   C  38.480 0.029 1 
       754  76  77 TYR CD1  C 133.532 0.025 3 
       755  76  77 TYR CD2  C 133.532 0.025 3 
       756  76  77 TYR CE1  C 117.602 0.120 3 
       757  76  77 TYR CE2  C 117.602 0.120 3 
       758  76  77 TYR N    N 118.434 0.037 1 
       759  77  78 ILE H    H   7.554 0.008 1 
       760  77  78 ILE HA   H   3.159 0.007 1 
       761  77  78 ILE HB   H   1.837 0.017 1 
       762  77  78 ILE HD1  H   0.588 0.018 1 
       763  77  78 ILE HG12 H   0.829 0.005 2 
       764  77  78 ILE HG13 H   1.788 0.012 2 
       765  77  78 ILE HG2  H   0.543 0.013 1 
       766  77  78 ILE C    C 177.341 0.000 1 
       767  77  78 ILE CA   C  65.177 0.022 1 
       768  77  78 ILE CB   C  37.339 0.021 1 
       769  77  78 ILE CD1  C  13.216 0.022 1 
       770  77  78 ILE CG1  C  29.079 0.046 1 
       771  77  78 ILE CG2  C  17.587 0.052 1 
       772  77  78 ILE N    N 117.672 0.024 1 
       773  78  79 GLU H    H   8.296 0.009 1 
       774  78  79 GLU HA   H   3.557 0.009 1 
       775  78  79 GLU HB2  H   2.016 0.021 2 
       776  78  79 GLU HB3  H   2.065 0.030 2 
       777  78  79 GLU HG2  H   2.165 0.005 2 
       778  78  79 GLU HG3  H   2.296 0.004 2 
       779  78  79 GLU C    C 177.742 0.000 1 
       780  78  79 GLU CA   C  60.847 0.031 1 
       781  78  79 GLU CB   C  29.594 0.110 1 
       782  78  79 GLU CG   C  36.721 0.050 1 
       783  78  79 GLU N    N 118.701 0.037 1 
       784  79  80 GLU H    H   8.330 0.008 1 
       785  79  80 GLU HA   H   3.774 0.004 1 
       786  79  80 GLU HB2  H   1.804 0.005 2 
       787  79  80 GLU HB3  H   1.991 0.013 2 
       788  79  80 GLU HG2  H   2.053 0.015 2 
       789  79  80 GLU HG3  H   2.308 0.003 2 
       790  79  80 GLU C    C 179.926 0.000 1 
       791  79  80 GLU CA   C  59.581 0.019 1 
       792  79  80 GLU CB   C  29.062 0.079 1 
       793  79  80 GLU CG   C  36.620 0.021 1 
       794  79  80 GLU N    N 116.767 0.034 1 
       795  80  81 GLN H    H   7.634 0.011 1 
       796  80  81 GLN HA   H   3.605 0.016 1 
       797  80  81 GLN HB2  H   1.691 0.026 2 
       798  80  81 GLN HB3  H   1.739 0.024 2 
       799  80  81 GLN HE21 H   6.635 0.016 1 
       800  80  81 GLN HE22 H   6.665 0.019 1 
       801  80  81 GLN HG2  H   1.710 0.026 2 
       802  80  81 GLN HG3  H   1.833 0.004 2 
       803  80  81 GLN C    C 179.681 0.000 1 
       804  80  81 GLN CA   C  57.765 0.036 1 
       805  80  81 GLN CB   C  28.079 0.082 1 
       806  80  81 GLN CG   C  33.131 0.049 1 
       807  80  81 GLN N    N 116.325 0.028 1 
       808  80  81 GLN NE2  N 114.319 0.025 1 
       809  81  82 LEU H    H   8.156 0.006 1 
       810  81  82 LEU HA   H   3.536 0.008 1 
       811  81  82 LEU HB2  H   0.222 0.012 2 
       812  81  82 LEU HB3  H   1.242 0.011 2 
       813  81  82 LEU HD1  H  -0.066 0.004 2 
       814  81  82 LEU HD2  H   0.203 0.005 2 
       815  81  82 LEU HG   H   1.132 0.017 1 
       816  81  82 LEU C    C 178.945 0.000 1 
       817  81  82 LEU CA   C  57.761 0.013 1 
       818  81  82 LEU CB   C  40.961 0.042 1 
       819  81  82 LEU CD1  C  25.742 0.055 2 
       820  81  82 LEU CD2  C  23.611 0.034 2 
       821  81  82 LEU CG   C  26.393 0.095 1 
       822  81  82 LEU N    N 121.546 0.026 1 
       823  82  83 LEU H    H   8.326 0.006 1 
       824  82  83 LEU HA   H   4.198 0.003 1 
       825  82  83 LEU HB2  H   1.382 0.006 2 
       826  82  83 LEU HB3  H   1.718 0.004 2 
       827  82  83 LEU HD1  H   0.871 0.004 2 
       828  82  83 LEU HD2  H   0.985 0.010 2 
       829  82  83 LEU HG   H   1.716 0.006 1 
       830  82  83 LEU C    C 178.631 0.000 1 
       831  82  83 LEU CA   C  57.016 0.032 1 
       832  82  83 LEU CB   C  42.182 0.069 1 
       833  82  83 LEU CD1  C  25.650 0.066 2 
       834  82  83 LEU CD2  C  24.285 0.143 2 
       835  82  83 LEU CG   C  27.709 0.028 1 
       836  82  83 LEU N    N 120.426 0.035 1 
       837  83  84 GLN H    H   6.992 0.005 1 
       838  83  84 GLN HA   H   3.877 0.004 1 
       839  83  84 GLN HB2  H   1.844 0.008 2 
       840  83  84 GLN HB3  H   1.967 0.007 2 
       841  83  84 GLN HE21 H   6.585 0.004 1 
       842  83  84 GLN HE22 H   7.180 0.014 1 
       843  83  84 GLN HG2  H   2.236 0.006 2 
       844  83  84 GLN HG3  H   2.378 0.003 2 
       845  83  84 GLN C    C 177.008 0.000 1 
       846  83  84 GLN CA   C  57.543 0.043 1 
       847  83  84 GLN CB   C  28.688 0.033 1 
       848  83  84 GLN CG   C  33.809 0.079 1 
       849  83  84 GLN N    N 114.001 0.020 1 
       850  83  84 GLN NE2  N 111.138 0.068 1 
       851  84  85 ARG H    H   7.072 0.013 1 
       852  84  85 ARG HA   H   4.047 0.004 1 
       853  84  85 ARG HB2  H   1.092 0.022 2 
       854  84  85 ARG HB3  H   1.132 0.006 2 
       855  84  85 ARG HD2  H   2.139 0.002 2 
       856  84  85 ARG HD3  H   2.423 0.003 2 
       857  84  85 ARG HE   H   7.033 0.021 1 
       858  84  85 ARG HG2  H   1.131 0.005 1 
       859  84  85 ARG HG3  H   1.131 0.005 1 
       860  84  85 ARG C    C 175.999 0.000 1 
       861  84  85 ARG CA   C  56.764 0.039 1 
       862  84  85 ARG CB   C  32.044 0.053 1 
       863  84  85 ARG CD   C  42.752 0.030 1 
       864  84  85 ARG CG   C  26.959 0.023 1 
       865  84  85 ARG N    N 115.827 0.113 1 
       866  84  85 ARG NE   N 125.043 0.053 1 
       867  85  86 ILE H    H   8.238 0.008 1 
       868  85  86 ILE HA   H   4.389 0.004 1 
       869  85  86 ILE HB   H   1.750 0.008 1 
       870  85  86 ILE HD1  H   0.749 0.003 1 
       871  85  86 ILE HG12 H   0.952 0.006 2 
       872  85  86 ILE HG13 H   1.199 0.003 2 
       873  85  86 ILE HG2  H   0.839 0.004 1 
       874  85  86 ILE CA   C  58.007 0.050 1 
       875  85  86 ILE CB   C  39.604 0.053 1 
       876  85  86 ILE CD1  C  14.848 0.070 1 
       877  85  86 ILE CG1  C  26.140 0.041 1 
       878  85  86 ILE CG2  C  18.037 0.095 1 
       879  85  86 ILE N    N 119.285 0.082 1 
       880  86  87 PRO HA   H   4.392 0.003 1 
       881  86  87 PRO HB2  H   1.831 0.016 2 
       882  86  87 PRO HB3  H   2.270 0.003 2 
       883  86  87 PRO HD2  H   3.410 0.006 2 
       884  86  87 PRO HD3  H   3.676 0.004 2 
       885  86  87 PRO HG2  H   1.862 0.015 2 
       886  86  87 PRO HG3  H   1.973 0.005 2 
       887  86  87 PRO C    C 177.622 0.000 1 
       888  86  87 PRO CA   C  64.665 0.048 1 
       889  86  87 PRO CB   C  32.020 0.031 1 
       890  86  87 PRO CD   C  50.287 0.022 1 
       891  86  87 PRO CG   C  27.358 0.065 1 
       892  87  88 GLU H    H   8.312 0.006 1 
       893  87  88 GLU HA   H   4.208 0.006 1 
       894  87  88 GLU HB2  H   1.877 0.002 2 
       895  87  88 GLU HB3  H   2.100 0.002 2 
       896  87  88 GLU HG2  H   2.104 0.006 1 
       897  87  88 GLU HG3  H   2.104 0.006 1 
       898  87  88 GLU C    C 175.554 0.000 1 
       899  87  88 GLU CA   C  56.045 0.080 1 
       900  87  88 GLU CB   C  28.654 0.036 1 
       901  87  88 GLU CG   C  36.316 0.010 1 
       902  87  88 GLU N    N 114.256 0.073 1 
       903  88  89 PHE H    H   7.946 0.010 1 
       904  88  89 PHE HA   H   3.993 0.006 1 
       905  88  89 PHE HB2  H   2.574 0.006 2 
       906  88  89 PHE HB3  H   3.182 0.005 2 
       907  88  89 PHE HD1  H   6.893 0.019 3 
       908  88  89 PHE HD2  H   6.893 0.019 3 
       909  88  89 PHE HE1  H   6.873 0.011 3 
       910  88  89 PHE HE2  H   6.873 0.011 3 
       911  88  89 PHE HZ   H   6.861 0.004 1 
       912  88  89 PHE C    C 173.460 0.000 1 
       913  88  89 PHE CA   C  60.119 0.028 1 
       914  88  89 PHE CB   C  39.994 0.067 1 
       915  88  89 PHE CD1  C 131.401 0.222 3 
       916  88  89 PHE CD2  C 131.401 0.222 3 
       917  88  89 PHE CE1  C 131.201 0.078 3 
       918  88  89 PHE CE2  C 131.201 0.078 3 
       919  88  89 PHE CZ   C 129.642 0.032 1 
       920  88  89 PHE N    N 121.550 0.130 1 
       921  89  90 ASN H    H   7.266 0.006 1 
       922  89  90 ASN HA   H   4.454 0.004 1 
       923  89  90 ASN HB2  H   2.463 0.005 2 
       924  89  90 ASN HB3  H   2.586 0.008 2 
       925  89  90 ASN HD21 H   6.828 0.017 1 
       926  89  90 ASN HD22 H   7.648 0.015 1 
       927  89  90 ASN C    C 173.921 0.000 1 
       928  89  90 ASN CA   C  51.839 0.057 1 
       929  89  90 ASN CB   C  40.674 0.073 1 
       930  89  90 ASN N    N 125.344 0.041 1 
       931  89  90 ASN ND2  N 112.617 0.084 1 
       932  90  91 MET H    H   8.968 0.004 1 
       933  90  91 MET HA   H   4.049 0.006 1 
       934  90  91 MET HB2  H   1.872 0.006 2 
       935  90  91 MET HB3  H   2.054 0.021 2 
       936  90  91 MET HE   H   2.022 0.007 1 
       937  90  91 MET HG2  H   2.544 0.012 2 
       938  90  91 MET HG3  H   2.701 0.010 2 
       939  90  91 MET C    C 177.475 0.000 1 
       940  90  91 MET CA   C  57.758 0.048 1 
       941  90  91 MET CB   C  32.250 0.085 1 
       942  90  91 MET CE   C  17.549 0.029 1 
       943  90  91 MET CG   C  32.416 0.050 1 
       944  90  91 MET N    N 127.052 0.056 1 
       945  91  92 ALA H    H   8.292 0.006 1 
       946  91  92 ALA HA   H   4.059 0.007 1 
       947  91  92 ALA HB   H   1.348 0.008 1 
       948  91  92 ALA C    C 180.412 0.000 1 
       949  91  92 ALA CA   C  55.368 0.067 1 
       950  91  92 ALA CB   C  17.527 0.043 1 
       951  91  92 ALA N    N 123.752 0.043 1 
       952  92  93 ALA H    H   7.931 0.005 1 
       953  92  93 ALA HA   H   4.054 0.004 1 
       954  92  93 ALA HB   H   1.332 0.005 1 
       955  92  93 ALA C    C 180.482 0.000 1 
       956  92  93 ALA CA   C  54.614 0.049 1 
       957  92  93 ALA CB   C  18.098 0.042 1 
       958  92  93 ALA N    N 121.158 0.087 1 
       959  93  94 PHE H    H   8.110 0.008 1 
       960  93  94 PHE HA   H   4.304 0.010 1 
       961  93  94 PHE HB2  H   3.138 0.011 2 
       962  93  94 PHE HB3  H   3.257 0.003 2 
       963  93  94 PHE HD1  H   7.384 0.018 3 
       964  93  94 PHE HD2  H   7.384 0.018 3 
       965  93  94 PHE HE1  H   6.999 0.006 3 
       966  93  94 PHE HE2  H   6.999 0.006 3 
       967  93  94 PHE HZ   H   6.701 0.014 1 
       968  93  94 PHE C    C 177.350 0.000 1 
       969  93  94 PHE CA   C  61.641 0.041 1 
       970  93  94 PHE CB   C  40.014 0.056 1 
       971  93  94 PHE CD1  C 131.842 0.218 3 
       972  93  94 PHE CD2  C 131.842 0.218 3 
       973  93  94 PHE CE1  C 131.282 0.042 3 
       974  93  94 PHE CE2  C 131.282 0.042 3 
       975  93  94 PHE CZ   C 128.989 0.035 1 
       976  93  94 PHE N    N 119.807 0.045 1 
       977  94  95 THR H    H   8.726 0.006 1 
       978  94  95 THR HA   H   3.569 0.004 1 
       979  94  95 THR HB   H   4.283 0.017 1 
       980  94  95 THR HG2  H   1.278 0.004 1 
       981  94  95 THR C    C 176.932 0.000 1 
       982  94  95 THR CA   C  66.833 0.046 1 
       983  94  95 THR CB   C  68.445 0.065 1 
       984  94  95 THR CG2  C  22.052 0.042 1 
       985  94  95 THR N    N 113.074 0.026 1 
       986  95  96 THR H    H   7.657 0.008 1 
       987  95  96 THR HA   H   3.945 0.017 1 
       988  95  96 THR HB   H   4.218 0.012 1 
       989  95  96 THR HG2  H   1.169 0.002 1 
       990  95  96 THR C    C 176.386 0.000 1 
       991  95  96 THR CA   C  66.550 0.036 1 
       992  95  96 THR CB   C  68.583 0.074 1 
       993  95  96 THR CG2  C  21.774 0.013 1 
       994  95  96 THR N    N 117.927 0.045 1 
       995  96  97 THR H    H   7.699 0.006 1 
       996  96  97 THR HA   H   3.905 0.005 1 
       997  96  97 THR HB   H   4.164 0.007 1 
       998  96  97 THR HG2  H   0.986 0.005 1 
       999  96  97 THR C    C 176.572 0.000 1 
      1000  96  97 THR CA   C  65.979 0.028 1 
      1001  96  97 THR CB   C  68.553 0.066 1 
      1002  96  97 THR CG2  C  22.462 0.040 1 
      1003  96  97 THR N    N 118.518 0.059 1 
      1004  97  98 LEU H    H   8.304 0.011 1 
      1005  97  98 LEU HA   H   3.725 0.008 1 
      1006  97  98 LEU HB2  H   1.168 0.003 2 
      1007  97  98 LEU HB3  H   1.670 0.010 2 
      1008  97  98 LEU HD1  H   0.679 0.005 2 
      1009  97  98 LEU HD2  H   1.497 0.007 2 
      1010  97  98 LEU HG   H   0.851 0.006 1 
      1011  97  98 LEU C    C 178.490 0.000 1 
      1012  97  98 LEU CA   C  58.517 0.096 1 
      1013  97  98 LEU CB   C  41.697 0.025 1 
      1014  97  98 LEU CD1  C  26.389 0.100 2 
      1015  97  98 LEU CD2  C  26.600 0.089 2 
      1016  97  98 LEU CG   C  24.875 0.027 1 
      1017  97  98 LEU N    N 122.882 0.044 1 
      1018  98  99 GLN H    H   7.639 0.007 1 
      1019  98  99 GLN HA   H   3.927 0.008 1 
      1020  98  99 GLN HB2  H   2.024 0.005 1 
      1021  98  99 GLN HB3  H   2.024 0.005 1 
      1022  98  99 GLN HE21 H   6.731 0.005 1 
      1023  98  99 GLN HE22 H   7.321 0.016 1 
      1024  98  99 GLN HG2  H   2.377 0.003 1 
      1025  98  99 GLN HG3  H   2.377 0.003 1 
      1026  98  99 GLN C    C 178.068 0.000 1 
      1027  98  99 GLN CA   C  58.735 0.069 1 
      1028  98  99 GLN CB   C  27.986 0.014 1 
      1029  98  99 GLN CG   C  33.559 0.049 1 
      1030  98  99 GLN N    N 114.302 0.041 1 
      1031  98  99 GLN NE2  N 110.984 0.079 1 
      1032  99 100 HIS H    H   7.575 0.009 1 
      1033  99 100 HIS HA   H   4.524 0.006 1 
      1034  99 100 HIS HB2  H   2.988 0.025 2 
      1035  99 100 HIS HB3  H   3.051 0.027 2 
      1036  99 100 HIS HD2  H   7.033 0.004 1 
      1037  99 100 HIS C    C 174.789 0.000 1 
      1038  99 100 HIS CA   C  56.154 0.051 1 
      1039  99 100 HIS CB   C  28.946 0.038 1 
      1040  99 100 HIS CD2  C 119.720 0.015 1 
      1041  99 100 HIS N    N 114.778 0.051 1 
      1042 100 101 HIS H    H   7.773 0.007 1 
      1043 100 101 HIS HA   H   4.704 0.007 1 
      1044 100 101 HIS HB2  H   2.332 0.008 2 
      1045 100 101 HIS HB3  H   3.328 0.004 2 
      1046 100 101 HIS HD2  H   6.844 0.001 1 
      1047 100 101 HIS C    C 174.818 0.000 1 
      1048 100 101 HIS CA   C  54.830 0.042 1 
      1049 100 101 HIS CB   C  29.749 0.099 1 
      1050 100 101 HIS CD2  C 120.211 0.015 1 
      1051 100 101 HIS N    N 117.397 0.027 1 
      1052 101 102 LYS H    H   7.324 0.006 1 
      1053 101 102 LYS HA   H   3.611 0.004 1 
      1054 101 102 LYS HB2  H   1.508 0.005 1 
      1055 101 102 LYS HB3  H   1.508 0.005 1 
      1056 101 102 LYS HD2  H   1.299 0.018 2 
      1057 101 102 LYS HD3  H   1.364 0.007 2 
      1058 101 102 LYS HE2  H   2.654 0.007 1 
      1059 101 102 LYS HE3  H   2.654 0.007 1 
      1060 101 102 LYS HG2  H   0.527 0.005 2 
      1061 101 102 LYS HG3  H   0.969 0.004 2 
      1062 101 102 LYS C    C 176.823 0.000 1 
      1063 101 102 LYS CA   C  59.915 0.055 1 
      1064 101 102 LYS CB   C  32.825 0.028 1 
      1065 101 102 LYS CD   C  29.351 0.022 1 
      1066 101 102 LYS CE   C  41.931 0.042 1 
      1067 101 102 LYS CG   C  23.864 0.048 1 
      1068 101 102 LYS N    N 120.533 0.034 1 
      1069 102 103 ASP H    H   8.361 0.004 1 
      1070 102 103 ASP HA   H   4.421 0.023 1 
      1071 102 103 ASP HB2  H   2.520 0.003 2 
      1072 102 103 ASP HB3  H   2.652 0.005 2 
      1073 102 103 ASP C    C 176.793 0.000 1 
      1074 102 103 ASP CA   C  55.500 0.040 1 
      1075 102 103 ASP CB   C  40.178 0.042 1 
      1076 102 103 ASP N    N 114.814 0.044 1 
      1077 103 104 GLU H    H   7.858 0.004 1 
      1078 103 104 GLU HA   H   4.339 0.012 1 
      1079 103 104 GLU HB2  H   2.077 0.008 2 
      1080 103 104 GLU HB3  H   2.292 0.007 2 
      1081 103 104 GLU C    C 175.777 0.000 1 
      1082 103 104 GLU CA   C  56.356 0.065 1 
      1083 103 104 GLU CB   C  31.293 0.049 1 
      1084 103 104 GLU N    N 116.826 0.023 1 
      1085 104 105 VAL H    H   7.201 0.006 1 
      1086 104 105 VAL HA   H   4.296 0.005 1 
      1087 104 105 VAL HB   H   1.977 0.008 1 
      1088 104 105 VAL HG1  H   1.038 0.008 2 
      1089 104 105 VAL HG2  H   1.038 0.008 2 
      1090 104 105 VAL C    C 174.482 0.000 1 
      1091 104 105 VAL CA   C  60.370 0.036 1 
      1092 104 105 VAL CB   C  34.341 0.040 1 
      1093 104 105 VAL CG1  C  21.388 0.066 2 
      1094 104 105 VAL CG2  C  21.388 0.066 2 
      1095 104 105 VAL N    N 116.422 0.147 1 
      1096 105 106 ALA H    H   8.487 0.015 1 
      1097 105 106 ALA HA   H   4.172 0.015 1 
      1098 105 106 ALA HB   H   1.417 0.005 1 
      1099 105 106 ALA C    C 179.030 0.000 1 
      1100 105 106 ALA CA   C  52.966 0.032 1 
      1101 105 106 ALA CB   C  19.371 0.032 1 
      1102 105 106 ALA N    N 128.313 0.052 1 
      1103 106 107 GLY H    H   8.738 0.005 1 
      1104 106 107 GLY HA2  H   3.773 0.008 2 
      1105 106 107 GLY HA3  H   3.998 0.004 2 
      1106 106 107 GLY C    C 174.958 0.000 1 
      1107 106 107 GLY CA   C  47.449 0.036 1 
      1108 106 107 GLY N    N 110.612 0.026 1 
      1109 107 108 ASP H    H   8.535 0.011 1 
      1110 107 108 ASP HA   H   4.333 0.031 1 
      1111 107 108 ASP HB2  H   2.521 0.006 2 
      1112 107 108 ASP HB3  H   2.651 0.002 2 
      1113 107 108 ASP C    C 179.133 0.000 1 
      1114 107 108 ASP CA   C  56.721 0.071 1 
      1115 107 108 ASP CB   C  39.336 0.085 1 
      1116 107 108 ASP N    N 117.474 0.095 1 
      1117 108 109 ILE H    H   7.459 0.015 1 
      1118 108 109 ILE HA   H   3.688 0.018 1 
      1119 108 109 ILE HB   H   1.959 0.003 1 
      1120 108 109 ILE HD1  H   0.747 0.009 1 
      1121 108 109 ILE HG12 H   1.061 0.007 2 
      1122 108 109 ILE HG13 H   1.494 0.010 2 
      1123 108 109 ILE HG2  H   0.733 0.008 1 
      1124 108 109 ILE C    C 176.735 0.000 1 
      1125 108 109 ILE CA   C  63.474 0.071 1 
      1126 108 109 ILE CB   C  37.340 0.038 1 
      1127 108 109 ILE CD1  C  12.636 0.020 1 
      1128 108 109 ILE CG1  C  28.220 0.028 1 
      1129 108 109 ILE CG2  C  17.653 0.053 1 
      1130 108 109 ILE N    N 119.609 0.051 1 
      1131 109 110 PHE H    H   7.920 0.015 1 
      1132 109 110 PHE HA   H   3.759 0.017 1 
      1133 109 110 PHE HB2  H   2.924 0.005 2 
      1134 109 110 PHE HB3  H   3.173 0.004 2 
      1135 109 110 PHE HD1  H   7.130 0.003 3 
      1136 109 110 PHE HD2  H   7.130 0.003 3 
      1137 109 110 PHE HE1  H   7.232 0.002 3 
      1138 109 110 PHE HE2  H   7.232 0.002 3 
      1139 109 110 PHE HZ   H   7.229 0.014 1 
      1140 109 110 PHE C    C 177.132 0.000 1 
      1141 109 110 PHE CA   C  62.766 0.030 1 
      1142 109 110 PHE CB   C  39.752 0.044 1 
      1143 109 110 PHE CD1  C 131.733 0.098 3 
      1144 109 110 PHE CD2  C 131.733 0.098 3 
      1145 109 110 PHE CE1  C 131.509 0.019 3 
      1146 109 110 PHE CE2  C 131.509 0.019 3 
      1147 109 110 PHE CZ   C 129.662 0.076 1 
      1148 109 110 PHE N    N 120.906 0.036 1 
      1149 110 111 ASP H    H   8.639 0.013 1 
      1150 110 111 ASP HA   H   4.216 0.003 1 
      1151 110 111 ASP HB2  H   2.618 0.002 1 
      1152 110 111 ASP HB3  H   2.618 0.002 1 
      1153 110 111 ASP C    C 178.900 0.000 1 
      1154 110 111 ASP CA   C  57.105 0.051 1 
      1155 110 111 ASP CB   C  39.697 0.032 1 
      1156 110 111 ASP N    N 117.124 0.036 1 
      1157 111 112 MET H    H   7.331 0.006 1 
      1158 111 112 MET HA   H   4.081 0.007 1 
      1159 111 112 MET HB2  H   2.009 0.007 2 
      1160 111 112 MET HB3  H   2.184 0.012 2 
      1161 111 112 MET HE   H   1.994 0.004 1 
      1162 111 112 MET HG2  H   2.180 0.012 2 
      1163 111 112 MET HG3  H   2.444 0.005 2 
      1164 111 112 MET C    C 179.052 0.000 1 
      1165 111 112 MET CA   C  58.202 0.036 1 
      1166 111 112 MET CB   C  31.827 0.126 1 
      1167 111 112 MET CE   C  17.135 0.046 1 
      1168 111 112 MET CG   C  31.650 0.114 1 
      1169 111 112 MET N    N 118.061 0.040 1 
      1170 112 113 LEU H    H   8.001 0.005 1 
      1171 112 113 LEU HA   H   3.723 0.004 1 
      1172 112 113 LEU HB2  H   1.353 0.008 2 
      1173 112 113 LEU HB3  H   1.701 0.010 2 
      1174 112 113 LEU HD1  H   0.884 0.007 2 
      1175 112 113 LEU HD2  H   0.892 0.009 2 
      1176 112 113 LEU HG   H   1.858 0.012 1 
      1177 112 113 LEU C    C 179.747 0.000 1 
      1178 112 113 LEU CA   C  57.371 0.049 1 
      1179 112 113 LEU CB   C  40.671 0.024 1 
      1180 112 113 LEU CD1  C  26.099 0.036 2 
      1181 112 113 LEU CD2  C  23.268 0.059 2 
      1182 112 113 LEU CG   C  27.771 0.039 1 
      1183 112 113 LEU N    N 120.426 0.030 1 
      1184 113 114 LEU H    H   7.744 0.005 1 
      1185 113 114 LEU HA   H   4.007 0.018 1 
      1186 113 114 LEU HB2  H   1.482 0.013 2 
      1187 113 114 LEU HB3  H   1.490 0.014 2 
      1188 113 114 LEU HD1  H   0.696 0.005 2 
      1189 113 114 LEU HD2  H   0.791 0.004 2 
      1190 113 114 LEU HG   H   1.486 0.012 1 
      1191 113 114 LEU C    C 179.358 0.000 1 
      1192 113 114 LEU CA   C  57.202 0.047 1 
      1193 113 114 LEU CB   C  41.727 0.031 1 
      1194 113 114 LEU CD1  C  23.909 0.046 2 
      1195 113 114 LEU CD2  C  24.533 0.031 2 
      1196 113 114 LEU CG   C  26.671 0.021 1 
      1197 113 114 LEU N    N 119.584 0.040 1 
      1198 114 115 THR H    H   7.353 0.006 1 
      1199 114 115 THR HA   H   4.071 0.015 1 
      1200 114 115 THR HB   H   4.468 0.009 1 
      1201 114 115 THR HG1  H   6.258 0.008 1 
      1202 114 115 THR HG2  H   1.447 0.006 1 
      1203 114 115 THR C    C 173.591 0.000 1 
      1204 114 115 THR CA   C  65.332 0.060 1 
      1205 114 115 THR CB   C  70.319 0.056 1 
      1206 114 115 THR CG2  C  22.120 0.040 1 
      1207 114 115 THR N    N 107.535 0.026 1 
      1208 115 116 PHE H    H   6.979 0.004 1 
      1209 115 116 PHE HA   H   5.022 0.007 1 
      1210 115 116 PHE HB2  H   3.179 0.021 2 
      1211 115 116 PHE HB3  H   3.226 0.026 2 
      1212 115 116 PHE HD1  H   7.133 0.004 3 
      1213 115 116 PHE HD2  H   7.133 0.004 3 
      1214 115 116 PHE HE1  H   6.743 0.004 3 
      1215 115 116 PHE HE2  H   6.743 0.004 3 
      1216 115 116 PHE HZ   H   6.859 0.002 1 
      1217 115 116 PHE C    C 176.488 0.000 1 
      1218 115 116 PHE CA   C  55.911 0.045 1 
      1219 115 116 PHE CB   C  38.521 0.053 1 
      1220 115 116 PHE CD1  C 131.668 0.093 3 
      1221 115 116 PHE CD2  C 131.668 0.093 3 
      1222 115 116 PHE CE1  C 130.537 0.046 3 
      1223 115 116 PHE CE2  C 130.537 0.046 3 
      1224 115 116 PHE CZ   C 128.911 0.015 1 
      1225 115 116 PHE N    N 112.366 0.021 1 
      1226 116 117 THR H    H   7.564 0.010 1 
      1227 116 117 THR HA   H   4.626 0.004 1 
      1228 116 117 THR HB   H   4.277 0.003 1 
      1229 116 117 THR HG2  H   1.146 0.004 1 
      1230 116 117 THR C    C 174.085 0.000 1 
      1231 116 117 THR CA   C  61.636 0.047 1 
      1232 116 117 THR CB   C  70.915 0.043 1 
      1233 116 117 THR CG2  C  21.630 0.032 1 
      1234 116 117 THR N    N 105.498 0.044 1 
      1235 117 118 ASP H    H   8.270 0.006 1 
      1236 117 118 ASP HA   H   4.955 0.005 1 
      1237 117 118 ASP HB2  H   2.457 0.004 2 
      1238 117 118 ASP HB3  H   2.949 0.004 2 
      1239 117 118 ASP C    C 176.328 0.000 1 
      1240 117 118 ASP CA   C  53.417 0.096 1 
      1241 117 118 ASP CB   C  43.388 0.051 1 
      1242 117 118 ASP N    N 124.409 0.034 1 
      1243 118 119 PHE H    H   8.973 0.006 1 
      1244 118 119 PHE HA   H   3.506 0.004 1 
      1245 118 119 PHE HB2  H   2.717 0.003 2 
      1246 118 119 PHE HB3  H   2.862 0.007 2 
      1247 118 119 PHE HD1  H   6.674 0.001 3 
      1248 118 119 PHE HD2  H   6.674 0.001 3 
      1249 118 119 PHE HE1  H   7.219 0.003 3 
      1250 118 119 PHE HE2  H   7.219 0.003 3 
      1251 118 119 PHE HZ   H   7.111 0.004 1 
      1252 118 119 PHE CA   C  61.490 0.040 1 
      1253 118 119 PHE CB   C  39.246 0.040 1 
      1254 118 119 PHE CD1  C 132.328 0.029 3 
      1255 118 119 PHE CD2  C 132.328 0.029 3 
      1256 118 119 PHE CE1  C 130.602 0.055 3 
      1257 118 119 PHE CE2  C 130.602 0.055 3 
      1258 118 119 PHE CZ   C 128.904 0.042 1 
      1259 118 119 PHE N    N 126.688 0.053 1 
      1260 119 120 LEU H    H   8.099 0.004 1 
      1261 119 120 LEU HA   H   3.842 0.004 1 
      1262 119 120 LEU HB2  H   1.549 0.004 2 
      1263 119 120 LEU HB3  H   1.843 0.007 2 
      1264 119 120 LEU HD1  H   0.921 0.020 2 
      1265 119 120 LEU HD2  H   0.947 0.019 2 
      1266 119 120 LEU HG   H   1.732 0.009 1 
      1267 119 120 LEU C    C 179.601 0.000 1 
      1268 119 120 LEU CA   C  58.174 0.029 1 
      1269 119 120 LEU CB   C  40.315 0.013 1 
      1270 119 120 LEU CD1  C  23.463 0.035 2 
      1271 119 120 LEU CD2  C  24.706 0.019 2 
      1272 119 120 LEU CG   C  27.539 0.096 1 
      1273 119 120 LEU N    N 117.930 0.028 1 
      1274 120 121 ALA H    H   7.729 0.006 1 
      1275 120 121 ALA HA   H   3.996 0.006 1 
      1276 120 121 ALA HB   H   1.385 0.006 1 
      1277 120 121 ALA C    C 180.995 0.000 1 
      1278 120 121 ALA CA   C  54.832 0.144 1 
      1279 120 121 ALA CB   C  17.706 0.018 1 
      1280 120 121 ALA N    N 123.195 0.036 1 
      1281 121 122 PHE H    H   7.943 0.009 1 
      1282 121 122 PHE HA   H   3.887 0.024 1 
      1283 121 122 PHE HB2  H   2.975 0.027 2 
      1284 121 122 PHE HB3  H   3.836 0.009 2 
      1285 121 122 PHE HD1  H   6.778 0.007 3 
      1286 121 122 PHE HD2  H   6.778 0.007 3 
      1287 121 122 PHE C    C 175.410 0.000 1 
      1288 121 122 PHE CA   C  61.075 0.076 1 
      1289 121 122 PHE CB   C  38.115 0.067 1 
      1290 121 122 PHE CD1  C 133.392 0.036 3 
      1291 121 122 PHE CD2  C 133.392 0.036 3 
      1292 121 122 PHE N    N 121.798 0.155 1 
      1293 122 123 LYS H    H   8.468 0.005 1 
      1294 122 123 LYS HA   H   3.077 0.014 1 
      1295 122 123 LYS HB2  H   1.235 0.008 2 
      1296 122 123 LYS HB3  H   1.645 0.010 2 
      1297 122 123 LYS HD2  H   1.667 0.013 2 
      1298 122 123 LYS HD3  H   1.680 0.018 2 
      1299 122 123 LYS HE2  H   3.043 0.009 2 
      1300 122 123 LYS HE3  H   3.131 0.003 2 
      1301 122 123 LYS HG2  H   1.018 0.004 2 
      1302 122 123 LYS HG3  H   1.175 0.021 2 
      1303 122 123 LYS C    C 178.453 0.000 1 
      1304 122 123 LYS CA   C  59.855 0.039 1 
      1305 122 123 LYS CB   C  32.374 0.021 1 
      1306 122 123 LYS CD   C  30.116 0.005 1 
      1307 122 123 LYS CE   C  42.687 0.020 1 
      1308 122 123 LYS CG   C  26.176 0.028 1 
      1309 122 123 LYS N    N 120.614 0.030 1 
      1310 123 124 GLU H    H   8.100 0.005 1 
      1311 123 124 GLU HA   H   3.652 0.005 1 
      1312 123 124 GLU HB2  H   1.911 0.015 2 
      1313 123 124 GLU HB3  H   1.941 0.014 2 
      1314 123 124 GLU HG2  H   2.191 0.002 2 
      1315 123 124 GLU HG3  H   2.326 0.017 2 
      1316 123 124 GLU C    C 177.743 0.000 1 
      1317 123 124 GLU CA   C  59.406 0.061 1 
      1318 123 124 GLU CB   C  28.811 0.059 1 
      1319 123 124 GLU CG   C  35.503 0.062 1 
      1320 123 124 GLU N    N 117.404 0.039 1 
      1321 124 125 MET H    H   7.537 0.006 1 
      1322 124 125 MET HA   H   3.860 0.007 1 
      1323 124 125 MET HB2  H   1.833 0.011 2 
      1324 124 125 MET HB3  H   2.248 0.005 2 
      1325 124 125 MET HE   H   1.273 0.005 1 
      1326 124 125 MET HG2  H   1.695 0.009 2 
      1327 124 125 MET HG3  H   2.247 0.004 2 
      1328 124 125 MET C    C 179.522 0.000 1 
      1329 124 125 MET CA   C  58.832 0.074 1 
      1330 124 125 MET CB   C  31.765 0.019 1 
      1331 124 125 MET CE   C  16.381 0.035 1 
      1332 124 125 MET CG   C  30.493 0.020 1 
      1333 124 125 MET N    N 119.413 0.038 1 
      1334 125 126 PHE H    H   7.148 0.006 1 
      1335 125 126 PHE HA   H   3.633 0.005 1 
      1336 125 126 PHE HB2  H   1.676 0.005 2 
      1337 125 126 PHE HB3  H   1.807 0.004 2 
      1338 125 126 PHE HD1  H   5.979 0.005 3 
      1339 125 126 PHE HD2  H   5.979 0.005 3 
      1340 125 126 PHE HE1  H   7.065 0.011 3 
      1341 125 126 PHE HE2  H   7.065 0.011 3 
      1342 125 126 PHE C    C 178.994 0.000 1 
      1343 125 126 PHE CA   C  63.148 0.036 1 
      1344 125 126 PHE CB   C  39.830 0.045 1 
      1345 125 126 PHE CD1  C 130.817 0.057 3 
      1346 125 126 PHE CD2  C 130.817 0.057 3 
      1347 125 126 PHE CE1  C 130.666 0.022 3 
      1348 125 126 PHE CE2  C 130.666 0.022 3 
      1349 125 126 PHE N    N 120.013 0.024 1 
      1350 126 127 LEU H    H   8.369 0.007 1 
      1351 126 127 LEU HA   H   3.972 0.018 1 
      1352 126 127 LEU HB2  H   1.377 0.009 2 
      1353 126 127 LEU HB3  H   1.809 0.005 2 
      1354 126 127 LEU HD1  H   0.675 0.008 2 
      1355 126 127 LEU HD2  H   0.772 0.013 2 
      1356 126 127 LEU HG   H   1.673 0.014 1 
      1357 126 127 LEU C    C 180.621 0.000 1 
      1358 126 127 LEU CA   C  57.944 0.047 1 
      1359 126 127 LEU CB   C  40.543 0.068 1 
      1360 126 127 LEU CD1  C  22.127 0.043 2 
      1361 126 127 LEU CD2  C  25.809 0.046 2 
      1362 126 127 LEU CG   C  26.513 0.056 1 
      1363 126 127 LEU N    N 119.692 0.038 1 
      1364 127 128 ASP H    H   8.578 0.005 1 
      1365 127 128 ASP HA   H   4.308 0.007 1 
      1366 127 128 ASP HB2  H   2.531 0.005 2 
      1367 127 128 ASP HB3  H   2.654 0.006 2 
      1368 127 128 ASP C    C 178.254 0.000 1 
      1369 127 128 ASP CA   C  56.964 0.074 1 
      1370 127 128 ASP CB   C  39.735 0.063 1 
      1371 127 128 ASP N    N 121.926 0.027 1 
      1372 128 129 TYR H    H   7.710 0.005 1 
      1373 128 129 TYR HA   H   3.908 0.019 1 
      1374 128 129 TYR HB2  H   2.820 0.005 1 
      1375 128 129 TYR HB3  H   2.820 0.005 1 
      1376 128 129 TYR HD1  H   6.603 0.004 3 
      1377 128 129 TYR HD2  H   6.603 0.004 3 
      1378 128 129 TYR HE1  H   6.355 0.004 3 
      1379 128 129 TYR HE2  H   6.355 0.004 3 
      1380 128 129 TYR C    C 177.633 0.000 1 
      1381 128 129 TYR CA   C  61.796 0.034 1 
      1382 128 129 TYR CB   C  39.372 0.048 1 
      1383 128 129 TYR CD1  C 133.039 0.065 3 
      1384 128 129 TYR CD2  C 133.039 0.065 3 
      1385 128 129 TYR CE1  C 117.844 0.039 3 
      1386 128 129 TYR CE2  C 117.844 0.039 3 
      1387 128 129 TYR N    N 122.548 0.031 1 
      1388 129 130 ARG H    H   8.622 0.005 1 
      1389 129 130 ARG HA   H   3.722 0.010 1 
      1390 129 130 ARG HB2  H   2.097 0.016 2 
      1391 129 130 ARG HB3  H   2.104 0.017 2 
      1392 129 130 ARG HD2  H   3.272 0.004 2 
      1393 129 130 ARG HD3  H   3.579 0.002 2 
      1394 129 130 ARG HE   H   7.524 0.014 1 
      1395 129 130 ARG HG2  H   1.638 0.019 2 
      1396 129 130 ARG HG3  H   1.696 0.023 2 
      1397 129 130 ARG CA   C  60.084 0.079 1 
      1398 129 130 ARG CB   C  29.902 0.021 1 
      1399 129 130 ARG CD   C  43.852 0.040 1 
      1400 129 130 ARG CG   C  28.284 0.056 1 
      1401 129 130 ARG N    N 118.302 0.021 1 
      1402 129 130 ARG NE   N 106.002 0.114 1 
      1403 130 131 ALA H    H   7.936 0.007 1 
      1404 130 131 ALA HA   H   3.997 0.016 1 
      1405 130 131 ALA HB   H   1.402 0.005 1 
      1406 130 131 ALA C    C 180.456 0.000 1 
      1407 130 131 ALA CA   C  55.133 0.027 1 
      1408 130 131 ALA CB   C  17.750 0.029 1 
      1409 130 131 ALA N    N 119.788 0.033 1 
      1410 131 132 GLU H    H   7.622 0.006 1 
      1411 131 132 GLU HA   H   3.862 0.005 1 
      1412 131 132 GLU HB2  H   1.859 0.004 1 
      1413 131 132 GLU HB3  H   1.859 0.004 1 
      1414 131 132 GLU HG2  H   2.000 0.003 2 
      1415 131 132 GLU HG3  H   2.140 0.003 2 
      1416 131 132 GLU C    C 179.528 0.000 1 
      1417 131 132 GLU CA   C  58.849 0.030 1 
      1418 131 132 GLU CB   C  28.930 0.023 1 
      1419 131 132 GLU CG   C  35.664 0.052 1 
      1420 131 132 GLU N    N 118.428 0.039 1 
      1421 132 133 LYS H    H   7.853 0.006 1 
      1422 132 133 LYS HA   H   3.722 0.006 1 
      1423 132 133 LYS HB2  H   1.437 0.020 2 
      1424 132 133 LYS HB3  H   1.487 0.018 2 
      1425 132 133 LYS HD2  H   1.099 0.014 2 
      1426 132 133 LYS HD3  H   1.161 0.013 2 
      1427 132 133 LYS HE2  H   2.464 0.007 2 
      1428 132 133 LYS HE3  H   2.674 0.006 2 
      1429 132 133 LYS HG2  H   0.412 0.004 2 
      1430 132 133 LYS HG3  H   0.694 0.005 2 
      1431 132 133 LYS C    C 175.725 0.000 1 
      1432 132 133 LYS CA   C  57.544 0.033 1 
      1433 132 133 LYS CB   C  31.770 0.051 1 
      1434 132 133 LYS CD   C  27.618 0.034 1 
      1435 132 133 LYS CE   C  42.041 0.062 1 
      1436 132 133 LYS CG   C  23.883 0.048 1 
      1437 132 133 LYS N    N 119.473 0.029 1 
      1438 133 134 GLU H    H   8.151 0.005 1 
      1439 133 134 GLU HA   H   4.161 0.003 1 
      1440 133 134 GLU HB2  H   1.984 0.020 2 
      1441 133 134 GLU HB3  H   2.091 0.010 2 
      1442 133 134 GLU HG2  H   2.262 0.005 2 
      1443 133 134 GLU HG3  H   2.498 0.004 2 
      1444 133 134 GLU C    C 177.453 0.000 1 
      1445 133 134 GLU CA   C  57.222 0.051 1 
      1446 133 134 GLU CB   C  30.091 0.080 1 
      1447 133 134 GLU CG   C  37.267 0.056 1 
      1448 133 134 GLU N    N 116.525 0.070 1 
      1449 134 135 GLY H    H   7.702 0.005 1 
      1450 134 135 GLY HA2  H   3.896 0.013 2 
      1451 134 135 GLY HA3  H   3.897 0.012 2 
      1452 134 135 GLY C    C 174.538 0.000 1 
      1453 134 135 GLY CA   C  45.975 0.034 1 
      1454 134 135 GLY N    N 107.924 0.030 1 
      1455 135 136 ARG H    H   8.045 0.008 1 
      1456 135 136 ARG HA   H   4.323 0.003 1 
      1457 135 136 ARG HB2  H   1.663 0.018 2 
      1458 135 136 ARG HB3  H   1.834 0.005 2 
      1459 135 136 ARG HD2  H   3.140 0.009 1 
      1460 135 136 ARG HD3  H   3.140 0.009 1 
      1461 135 136 ARG HE   H   7.203 0.010 1 
      1462 135 136 ARG HG2  H   1.549 0.031 2 
      1463 135 136 ARG HG3  H   1.550 0.033 2 
      1464 135 136 ARG C    C 175.864 0.000 1 
      1465 135 136 ARG CA   C  56.016 0.053 1 
      1466 135 136 ARG CB   C  30.987 0.072 1 
      1467 135 136 ARG CD   C  43.580 0.038 1 
      1468 135 136 ARG CG   C  27.325 0.041 1 
      1469 135 136 ARG N    N 119.708 0.044 1 
      1470 135 136 ARG NE   N  84.466 0.057 1 
      1471 136 137 GLY H    H   7.904 0.010 1 
      1472 136 137 GLY HA2  H   3.628 0.005 2 
      1473 136 137 GLY HA3  H   3.656 0.019 2 
      1474 136 137 GLY CA   C  46.112 0.025 1 
      1475 136 137 GLY N    N 115.466 0.050 1 

   stop_

save_