data_5212

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

save_entry_information
   _Saveframe_category      entry_information

   _Entry_title            
;
SAP/SH2D1A bound to peptide n-pY
;
   _BMRB_accession_number   5212
   _BMRB_flat_file_name     bmr5212.str
   _Entry_type              original
   _Submission_date         2001-11-15
   _Accession_date          2001-11-15
   _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 Hwang      P.    M. . 
       2 Li         C.    .  . 
       3 Morra      M.    .  . 
       4 Lillywhite J.    .  . 
       5 Gertler    F.    .  . 
       6 Terhorst   C.    .  . 
       7 Kay        L.    E. . 
       8 Pawson     T.    .  . 
       9 Forman-Kay J.    .  . 
      10 Li         S.-C. .  . 

   stop_

   loop_
      _Saveframe_category_type
      _Saveframe_category_type_count

      assigned_chemical_shifts 2 

   stop_

   loop_
      _Data_type
      _Data_type_count

      "1H chemical shifts"  773 
      "13C chemical shifts" 557 
      "15N chemical shifts" 133 

   stop_

   loop_
      _Revision_date
      _Revision_keyword
      _Revision_author
      _Revision_detail

      2008-07-11 update   BMRB   'Updating non-standard residue' 
      2002-07-12 update   BMRB   'Modify the saveframe name.'    
      2002-05-08 original author 'Original release.'             
      2008-03-24 original author  .                              

   stop_

   loop_
      _Related_BMRB_accession_number
      _Relationship

      5211 'SAP/SH2D1A bound to peptide n-Y-c.' 

   stop_

save_


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

save_entry_citation
   _Saveframe_category           entry_citation

   _Citation_full                .
   _Citation_title              
;
A "three-pronged" Binding Mechanism for the SAP/SH2D1A SH2 Domain:  Structural 
Basis and Relevance to the XLP Syndrome
;
   _Citation_status              published
   _Citation_type                journal
   _CAS_abstract_code            .
   _MEDLINE_UI_code              21681399
   _PubMed_ID                    11823424

   loop_
      _Author_ordinal
      _Author_family_name
      _Author_given_name
      _Author_middle_initials
      _Author_family_title

       1 Hwang      P.    M. . 
       2 Li         C.    .  . 
       3 Morra      M.    .  . 
       4 Lillywhite J.    .  . 
       5 Muhandiram D.    R. . 
       6 Gertler    F.    .  . 
       7 Terhorst   C.    .  . 
       8 Kay        L.    E. . 
       9 Pawson     T.    .  . 
      10 Forman-Kay J.    .  . 
      11 Li         S.-C. .  . 

   stop_

   _Journal_abbreviation        'EMBO J.'
   _Journal_name_full           'EMBO Journal'
   _Journal_volume               21
   _Journal_issue                3
   _Journal_CSD                  .
   _Book_chapter_title           .
   _Book_volume                  .
   _Book_series                  .
   _Book_ISBN                    .
   _Conference_state_province    .
   _Conference_abstract_number   .
   _Page_first                   314
   _Page_last                    323
   _Year                         2002
   _Details                      .

   loop_
      _Keyword

      'SH2 domain'              
      'protein-peptide complex' 

   stop_

save_


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

save_system_SAP_SH2D1A
   _Saveframe_category         molecular_system

   _Mol_system_name           'SAP/SH2D1A bound to peptide n-pY'
   _Abbreviation_common        SAP/SH2D1A_n-pY
   _Enzyme_commission_number   .

   loop_
      _Mol_system_component_name
      _Mol_label

      'SH2 DOMAIN PROTEIN 1A' $SAP_SH2D1A   
      'peptide n-pY'          $peptide_n-pY 

   stop_

   _System_molecular_weight    .
   _System_physical_state      native
   _System_oligomer_state      complex
   _System_paramagnetic        no
   _System_thiol_state        'all free'
   _Database_query_date        .
   _Details                    .

save_


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

save_SAP_SH2D1A
   _Saveframe_category                          monomeric_polymer

   _Mol_type                                    polymer
   _Mol_polymer_class                           protein
   _Name_common                                 SAP/SH2D1A
   _Abbreviation_common                         SAP/SH2D1A
   _Molecular_mass                              .
   _Mol_thiol_state                            'all free'
   _Details                                     .

   	##############################
   	#  Polymer residue sequence  #
   	##############################
   
      _Residue_count                               128
   _Mol_residue_sequence                       
;
MDAVAVYHGKISRETGEKLL
LATGLDGSYLLRDSESVPGV
YCLCVLYHGYIYTYRVSQTE
TGSWSAETAPGVHKRYFRKI
KNLISAFQKPDQGIVIPLQY
PVEKKSSARSTQGTTGIRED
PDVCLKAP
;

   loop_
      _Residue_seq_code
      _Residue_label

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

   stop_

   _Sequence_homology_query_date                2007-10-08
   _Sequence_homology_query_revised_last_date   2007-07-19

   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

      REF        NP_002342.1     'SH2 domain protein 1A [Homo sapiens]'                                                                                     100.00 128 100 100 2e-69 
      SWISS-PROT O60880          'SH21A_HUMAN SH2 domain-containing protein 1A(Signaling lymphocyte activation molecule-associatedprotein) (SLAM-associate' 100.00 128 100 100 2e-69 
      REF        XP_865096.1     'PREDICTED: similar to SH2 domainprotein 1A (Signaling lymphocyte activationmolecule-associated protein) (SLAM-associated' 168.42  76  99  99 1e-31 
      REF        NP_001028009.1  'SAP protein [Macaca mulatta]'                                                                                             100.00 128 100 100 2e-69 
      GenBank    AAK11578.1      'AF322912_1 SAP [Macaca mulatta]'                                                                                          100.00 128 100 100 2e-69 
      GenBank    AAX37129.1      'SH2-domain protein 1A [syntheticconstruct]'                                                                                99.22 129 100 100 2e-69 
      GenBank    AAC62631.1      'T cell signal transduction molecule SAP[Homo sapiens]'                                                                    100.00 128 100 100 2e-69 
      GenBank    AAH20732.1      'SH2 domain protein 1A, Duncan's disease(lymphoproliferative syndrome) [Homo sapiens]'                                     100.00 128 100 100 2e-69 
      EMBL       CAG46840.1      'SH2D1A [Homo sapiens]'                                                                                                    100.00 128 100 100 2e-69 
      GenBank    AAC62630.1      'T cell signal transduction molecule SAP[Homo sapiens]'                                                                    100.00 128 100 100 2e-69 
      EMBL       CAA19222.1      'SH2D1A [Homo sapiens]'                                                                                                    100.00 128 100 100 2e-69 
      EMBL       CAG46828.1      'SH2D1A [Homo sapiens]'                                                                                                    100.00 128 100 100 2e-69 
      PDB        1KA7            'A Chain A, SapSH2D1A BOUND TO PEPTIDE N-Y-C'                                                                              100.00 128 100 100 2e-69 
      EMBL       CAA18777.1      'SH2 domain protein 1A, Duncan's disease(lymphoproliferative syndrome) [Homo sapiens]'                                     100.00 128 100 100 2e-69 
      PDB        1M27            'A Chain A, Crystal Structure Of SapFYNSH3SLAMTERNARY COMPLEX'                                                             123.08 104 100 100 4e-55 
      PDB        1KA6            'A Chain A, SapSH2D1A BOUND TO PEPTIDE N-Py'                                                                               100.00 128 100 100 2e-69 
      PDB        1D4T            'A Chain A, Crystal Structure Of The Xlp ProteinSap In Complex With A Slam Peptide'                                        123.08 104 100 100 4e-55 
      PDB        1D4W            'A Chain A, Crystal Structure Of The Xlp ProteinSap In Complex With Slam Phosphopeptide'                                   123.08 104 100 100 4e-55 
      BMRB                 5211  SAP/SH2D1A                                                                                                                100.00 128 100 100 2e-69 
      PDB        1D1Z            'A Chain A, Crystal Structure Of The Xlp ProteinSap'                                                                       123.08 104 100 100 4e-55 

   stop_

save_


save_peptide_n-pY
   _Saveframe_category                          monomeric_polymer

   _Mol_type                                    polymer
   _Mol_polymer_class                           protein
   _Name_common                                'peptide n-pY'
   _Abbreviation_common                         n-pY
   _Molecular_mass                              .
   _Mol_thiol_state                            'not present'
   _Details                                     .
   _Residue_count                               9
   _Mol_residue_sequence                        RKSLTIXAX

   loop_
      _Residue_seq_code
      _Residue_label

      1 ARG  2 LYS  3 SER  4 LEU  5 THR 
      6 ILE  7 PTR  8 ALA  9 NH2 

   stop_

   _Sequence_homology_query_date                .
   _Sequence_homology_query_revised_last_date   .

save_


    ######################
    #  Polymer residues  #
    ######################

save_chem_comp_PTR
   _Saveframe_category            polymer_residue

   _Mol_type                     'L-peptide linking'
   _Name_common                   O-PHOSPHOTYROSINE
   _BMRB_code                     .
   _PDB_code                      PTR
   _Standard_residue_derivative   .
   _Molecular_mass                261.168
   _Mol_paramagnetic              .
   _Details                      
;
Information obtained from PDB's Chemical Component Dictionary
at http://wwpdb-remediation.rutgers.edu/downloads.html
Downloaded on Thu Jul 21 14:15:02 2011
;

   loop_
      _Atom_name
      _PDB_atom_name
      _Atom_type
      _Atom_chirality
      _Atom_charge
      _Atom_oxidation_number
      _Atom_unpaired_electrons

      N    N    N . 0 . ? 
      CA   CA   C . 0 . ? 
      C    C    C . 0 . ? 
      O    O    O . 0 . ? 
      OXT  OXT  O . 0 . ? 
      CB   CB   C . 0 . ? 
      CG   CG   C . 0 . ? 
      CD1  CD1  C . 0 . ? 
      CD2  CD2  C . 0 . ? 
      CE1  CE1  C . 0 . ? 
      CE2  CE2  C . 0 . ? 
      CZ   CZ   C . 0 . ? 
      OH   OH   O . 0 . ? 
      P    P    P . 0 . ? 
      O1P  O1P  O . 0 . ? 
      O2P  O2P  O . 0 . ? 
      O3P  O3P  O . 0 . ? 
      H    H    H . 0 . ? 
      HN2  HN2  H . 0 . ? 
      HA   HA   H . 0 . ? 
      HXT  HXT  H . 0 . ? 
      HB2  HB2  H . 0 . ? 
      HB3  HB3  H . 0 . ? 
      HD1  HD1  H . 0 . ? 
      HD2  HD2  H . 0 . ? 
      HE1  HE1  H . 0 . ? 
      HE2  HE2  H . 0 . ? 
      HO2P HO2P H . 0 . ? 
      HO3P HO3P H . 0 . ? 

   stop_

   loop_
      _Bond_order
      _Bond_atom_one_atom_name
      _Bond_atom_two_atom_name
      _PDB_bond_atom_one_atom_name
      _PDB_bond_atom_two_atom_name

      SING N   CA   ? ? 
      SING N   H    ? ? 
      SING N   HN2  ? ? 
      SING CA  C    ? ? 
      SING CA  CB   ? ? 
      SING CA  HA   ? ? 
      DOUB C   O    ? ? 
      SING C   OXT  ? ? 
      SING OXT HXT  ? ? 
      SING CB  CG   ? ? 
      SING CB  HB2  ? ? 
      SING CB  HB3  ? ? 
      DOUB CG  CD1  ? ? 
      SING CG  CD2  ? ? 
      SING CD1 CE1  ? ? 
      SING CD1 HD1  ? ? 
      DOUB CD2 CE2  ? ? 
      SING CD2 HD2  ? ? 
      DOUB CE1 CZ   ? ? 
      SING CE1 HE1  ? ? 
      SING CE2 CZ   ? ? 
      SING CE2 HE2  ? ? 
      SING CZ  OH   ? ? 
      SING OH  P    ? ? 
      DOUB P   O1P  ? ? 
      SING P   O2P  ? ? 
      SING P   O3P  ? ? 
      SING O2P HO2P ? ? 
      SING O3P HO3P ? ? 

   stop_

save_


save_chem_comp_NH2
   _Saveframe_category            polymer_residue

   _Mol_type                      non-polymer
   _Name_common                  'AMINO GROUP'
   _BMRB_code                     .
   _PDB_code                      NH2
   _Standard_residue_derivative   .
   _Molecular_mass                16.023
   _Mol_paramagnetic              .
   _Details                      
;
Information obtained from PDB's Chemical Component Dictionary
at http://wwpdb-remediation.rutgers.edu/downloads.html
Downloaded on Thu Jul 21 10:41:13 2011
;

   loop_
      _Atom_name
      _PDB_atom_name
      _Atom_type
      _Atom_chirality
      _Atom_charge
      _Atom_oxidation_number
      _Atom_unpaired_electrons

      N   N   N . 0 . ? 
      HN1 HN1 H . 0 . ? 
      HN2 HN2 H . 0 . ? 

   stop_

   loop_
      _Bond_order
      _Bond_atom_one_atom_name
      _Bond_atom_two_atom_name
      _PDB_bond_atom_one_atom_name
      _PDB_bond_atom_two_atom_name

      SING N HN1 ? ? 
      SING N HN2 ? ? 

   stop_

save_


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

save_natural_source
   _Saveframe_category   natural_source


   loop_
      _Mol_label
      _Organism_name_common
      _NCBI_taxonomy_ID
      _Superkingdom
      _Kingdom
      _Genus
      _Species

      $SAP_SH2D1A   Human 9606 Eukaryota Metazoa Homo sapiens 
      $peptide_n-pY 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

      $SAP_SH2D1A   'recombinant technology' 'E. coli' . . . . 
      $peptide_n-pY 'chemical synthesis'      .        . . . . 

   stop_

save_


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

save_sample_1
   _Saveframe_category   sample

   _Sample_type          solution
   _Details              .

   loop_
      _Mol_label
      _Concentration_value
      _Concentration_value_units
      _Isotopic_labeling

      $SAP_SH2D1A          1 mM '[U-15N; U-13C]' 
      $peptide_n-pY        1 mM  .               
      'phosphate buffer'  20 mM  .               
       NaCl              100 mM  .               
       H2O                90 %   .               
       D2O                10 %   .               

   stop_

save_


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

save_ARIA
   _Saveframe_category   software

   _Name                 ARIA
   _Version              1.0

   loop_
      _Task

      'structure solution' 

   stop_

   _Details              Nilges

save_


save_NMRPipe
   _Saveframe_category   software

   _Name                 NMRPipe
   _Version              1.8

   loop_
      _Task

      processing 

   stop_

   _Details              Delaglio

save_


save_NMRView
   _Saveframe_category   software

   _Name                 NMRView
   _Version              3.0

   loop_
      _Task

      'data analysis' 

   stop_

   _Details              Johnson

save_


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

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

save_NMR_spectrometer
   _Saveframe_category   NMR_spectrometer

   _Manufacturer         Varian
   _Model                INOVA
   _Field_strength       600
   _Details              .

save_


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

save_3D_HN(CO)HB_1
   _Saveframe_category   NMR_applied_experiment

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

save_


save_3D_HNHB_2
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D HNHB'
   _Sample_label        $sample_1

save_


save_3D_15N,13C-separated_NOESY_3
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D 15N,13C-separated NOESY'
   _Sample_label        $sample_1

save_


save_NMR_applied_experiment
   _Saveframe_category                     NMR_applied_experiment

   _Experiment_name                        .
   _BMRB_pulse_sequence_accession_number   .
   _Details                                .

save_


save_NMR_spec_expt__0_1
   _Saveframe_category                     NMR_applied_experiment

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

save_


save_NMR_spec_expt__0_2
   _Saveframe_category                     NMR_applied_experiment

   _Experiment_name                       '3D HNHB'
   _BMRB_pulse_sequence_accession_number   .
   _Details                                .

save_


save_NMR_spec_expt__0_3
   _Saveframe_category                     NMR_applied_experiment

   _Experiment_name                       '3D HN(CO)HB'
   _BMRB_pulse_sequence_accession_number   .
   _Details                                .

save_


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

save_sample_cond_1
   _Saveframe_category   sample_conditions

   _Details              .

   loop_
      _Variable_type
      _Variable_value
      _Variable_value_error
      _Variable_value_units

       pH                6.0 . n/a 
       temperature     303   . K   
      'ionic strength' 120   . mM  
       pressure          1   . atm 

   stop_

save_


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

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

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

save_chemical_shift_reference
   _Saveframe_category   chemical_shift_reference

   _Details              .

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

      . H  1 . ppm . . . . . . $entry_citation $entry_citation 
      . N 15 . ppm . . . . . . $entry_citation $entry_citation 
      . C 13 . ppm . . . . . . $entry_citation $entry_citation 

   stop_

save_


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

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

   _Details                          .

   loop_
      _Sample_label

      $sample_1 

   stop_

   _Sample_conditions_label         $sample_cond_1
   _Chem_shift_reference_set_label  $chemical_shift_reference
   _Mol_system_component_name       'SH2 DOMAIN PROTEIN 1A'
   _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 MET C    C 174.606 . . 
         2 .   2 ASP N    N 125.351 . . 
         3 .   2 ASP CA   C  54.205 . . 
         4 .   2 ASP HA   H   4.547 . . 
         5 .   2 ASP CB   C  41.056 . . 
         6 .   2 ASP HB3  H   2.491 . . 
         7 .   2 ASP HB2  H   2.662 . . 
         8 .   2 ASP C    C 174.601 . . 
         9 .   3 ALA N    N 123.511 . . 
        10 .   3 ALA H    H   8.322 . . 
        11 .   3 ALA CA   C  52.578 . . 
        12 .   3 ALA HA   H   4.209 . . 
        13 .   3 ALA CB   C  18.050 . . 
        14 .   3 ALA HB   H   1.335 . . 
        15 .   3 ALA C    C 176.782 . . 
        16 .   4 VAL N    N 119.471 . . 
        17 .   4 VAL H    H   7.889 . . 
        18 .   4 VAL CA   C  60.838 . . 
        19 .   4 VAL HA   H   4.240 . . 
        20 .   4 VAL CB   C  33.103 . . 
        21 .   4 VAL HB   H   2.013 . . 
        22 .   4 VAL CG2  C  20.434 . . 
        23 .   4 VAL HG2  H   0.668 . . 
        24 .   4 VAL CG1  C  22.219 . . 
        25 .   4 VAL HG1  H   0.755 . . 
        26 .   4 VAL C    C 176.622 . . 
        27 .   5 ALA N    N 123.084 . . 
        28 .   5 ALA H    H   7.858 . . 
        29 .   5 ALA CA   C  55.048 . . 
        30 .   5 ALA HA   H   4.199 . . 
        31 .   5 ALA CB   C  18.707 . . 
        32 .   5 ALA HB   H   1.443 . . 
        33 .   5 ALA C    C 177.935 . . 
        34 .   6 VAL N    N 103.608 . . 
        35 .   6 VAL H    H   7.120 . . 
        36 .   6 VAL CA   C  60.567 . . 
        37 .   6 VAL HA   H   4.625 . . 
        38 .   6 VAL CB   C  31.114 . . 
        39 .   6 VAL HB   H   2.736 . . 
        40 .   6 VAL CG2  C  18.526 . . 
        41 .   6 VAL HG2  H   0.910 . . 
        42 .   6 VAL CG1  C  22.258 . . 
        43 .   6 VAL HG1  H   0.752 . . 
        44 .   6 VAL C    C 174.302 . . 
        45 .   7 TYR N    N 123.524 . . 
        46 .   7 TYR H    H   7.829 . . 
        47 .   7 TYR CA   C  55.978 . . 
        48 .   7 TYR HA   H   5.477 . . 
        49 .   7 TYR CB   C  38.005 . . 
        50 .   7 TYR HB3  H   3.214 . . 
        51 .   7 TYR HB2  H   2.725 . . 
        52 .   7 TYR CD1  C 132.367 . . 
        53 .   7 TYR HD1  H   7.000 . . 
        54 .   7 TYR CE1  C 118.827 . . 
        55 .   7 TYR HE1  H   7.010 . . 
        56 .   7 TYR CE2  C 118.827 . . 
        57 .   7 TYR HE2  H   7.010 . . 
        58 .   7 TYR CD2  C 132.367 . . 
        59 .   7 TYR HD2  H   7.000 . . 
        60 .   7 TYR C    C 175.117 . . 
        61 .   8 HIS N    N 127.881 . . 
        62 .   8 HIS H    H   9.110 . . 
        63 .   8 HIS CA   C  57.181 . . 
        64 .   8 HIS HA   H   4.029 . . 
        65 .   8 HIS CB   C  33.519 . . 
        66 .   8 HIS HB3  H   3.240 . . 
        67 .   8 HIS HB2  H   2.621 . . 
        68 .   8 HIS CD2  C  94.171 . . 
        69 .   8 HIS HD2  H   7.673 . . 
        70 .   8 HIS C    C 174.594 . . 
        71 .   9 GLY N    N 105.598 . . 
        72 .   9 GLY H    H   5.555 . . 
        73 .   9 GLY CA   C  46.107 . . 
        74 .   9 GLY HA3  H   3.368 . . 
        75 .   9 GLY HA2  H   3.686 . . 
        76 .   9 GLY C    C 174.137 . . 
        77 .  10 LYS N    N 128.623 . . 
        78 .  10 LYS H    H   8.545 . . 
        79 .  10 LYS CA   C  56.021 . . 
        80 .  10 LYS HA   H   4.583 . . 
        81 .  10 LYS CB   C  30.664 . . 
        82 .  10 LYS HB3  H   1.976 . . 
        83 .  10 LYS HB2  H   1.699 . . 
        84 .  10 LYS CG   C  25.262 . . 
        85 .  10 LYS HG3  H   1.401 . . 
        86 .  10 LYS HG2  H   1.491 . . 
        87 .  10 LYS CD   C  29.465 . . 
        88 .  10 LYS HD3  H   1.752 . . 
        89 .  10 LYS HD2  H   1.752 . . 
        90 .  10 LYS CE   C  42.207 . . 
        91 .  10 LYS HE3  H   3.084 . . 
        92 .  10 LYS HE2  H   3.084 . . 
        93 .  10 LYS C    C 176.540 . . 
        94 .  11 ILE N    N 116.797 . . 
        95 .  11 ILE H    H   7.457 . . 
        96 .  11 ILE CA   C  59.618 . . 
        97 .  11 ILE HA   H   4.665 . . 
        98 .  11 ILE CB   C  40.760 . . 
        99 .  11 ILE HB   H   1.756 . . 
       100 .  11 ILE CG1  C  25.718 . . 
       101 .  11 ILE HG13 H   1.401 . . 
       102 .  11 ILE HG12 H   0.747 . . 
       103 .  11 ILE CD1  C  14.287 . . 
       104 .  11 ILE HD1  H   0.574 . . 
       105 .  11 ILE CG2  C  18.290 . . 
       106 .  11 ILE HG2  H   1.068 . . 
       107 .  11 ILE C    C 175.325 . . 
       108 .  12 SER N    N 117.826 . . 
       109 .  12 SER H    H   8.685 . . 
       110 .  12 SER CA   C  57.017 . . 
       111 .  12 SER HA   H   4.478 . . 
       112 .  12 SER CB   C  65.421 . . 
       113 .  12 SER HB3  H   4.067 . . 
       114 .  12 SER HB2  H   4.067 . . 
       115 .  12 SER C    C 174.782 . . 
       116 .  13 ARG N    N 121.663 . . 
       117 .  13 ARG H    H   8.879 . . 
       118 .  13 ARG CA   C  59.209 . . 
       119 .  13 ARG HA   H   3.813 . . 
       120 .  13 ARG CB   C  30.316 . . 
       121 .  13 ARG HB3  H   2.037 . . 
       122 .  13 ARG HB2  H   1.887 . . 
       123 .  13 ARG CG   C  26.565 . . 
       124 .  13 ARG HG3  H   1.636 . . 
       125 .  13 ARG HG2  H   1.549 . . 
       126 .  13 ARG CD   C  43.462 . . 
       127 .  13 ARG HD3  H   3.318 . . 
       128 .  13 ARG HD2  H   3.318 . . 
       129 .  13 ARG NE   N 142.665 . . 
       130 .  13 ARG HE   H   7.674 . . 
       131 .  13 ARG C    C 179.820 . . 
       132 .  14 GLU N    N 119.313 . . 
       133 .  14 GLU H    H   9.096 . . 
       134 .  14 GLU CA   C  59.783 . . 
       135 .  14 GLU HA   H   3.881 . . 
       136 .  14 GLU CB   C  29.409 . . 
       137 .  14 GLU HB3  H   1.948 . . 
       138 .  14 GLU HB2  H   2.045 . . 
       139 .  14 GLU CG   C  36.949 . . 
       140 .  14 GLU HG3  H   2.307 . . 
       141 .  14 GLU HG2  H   2.307 . . 
       142 .  14 GLU C    C 177.988 . . 
       143 .  15 THR N    N 119.600 . . 
       144 .  15 THR H    H   8.152 . . 
       145 .  15 THR CA   C  67.776 . . 
       146 .  15 THR HA   H   4.291 . . 
       147 .  15 THR CB   C  66.915 . . 
       148 .  15 THR HB   H   3.822 . . 
       149 .  15 THR CG2  C  22.209 . . 
       150 .  15 THR HG2  H   1.193 . . 
       151 .  15 THR C    C 176.117 . . 
       152 .  16 GLY N    N 107.881 . . 
       153 .  16 GLY H    H   8.179 . . 
       154 .  16 GLY CA   C  47.568 . . 
       155 .  16 GLY HA3  H   3.408 . . 
       156 .  16 GLY HA2  H   3.760 . . 
       157 .  16 GLY C    C 174.369 . . 
       158 .  17 GLU N    N 118.169 . . 
       159 .  17 GLU H    H   7.902 . . 
       160 .  17 GLU CA   C  59.355 . . 
       161 .  17 GLU HA   H   3.706 . . 
       162 .  17 GLU CB   C  29.152 . . 
       163 .  17 GLU HB3  H   2.360 . . 
       164 .  17 GLU HB2  H   1.761 . . 
       165 .  17 GLU CG   C  35.389 . . 
       166 .  17 GLU HG3  H   1.883 . . 
       167 .  17 GLU HG2  H   2.521 . . 
       168 .  17 GLU C    C 177.951 . . 
       169 .  18 LYS N    N 117.563 . . 
       170 .  18 LYS H    H   7.994 . . 
       171 .  18 LYS CA   C  59.902 . . 
       172 .  18 LYS HA   H   3.828 . . 
       173 .  18 LYS CB   C  32.037 . . 
       174 .  18 LYS HB3  H   1.847 . . 
       175 .  18 LYS HB2  H   1.920 . . 
       176 .  18 LYS CG   C  25.711 . . 
       177 .  18 LYS HG3  H   1.665 . . 
       178 .  18 LYS HG2  H   1.414 . . 
       179 .  18 LYS CD   C  29.250 . . 
       180 .  18 LYS HD3  H   1.636 . . 
       181 .  18 LYS HD2  H   1.636 . . 
       182 .  18 LYS CE   C  42.107 . . 
       183 .  18 LYS HE3  H   2.925 . . 
       184 .  18 LYS HE2  H   2.925 . . 
       185 .  18 LYS C    C 179.931 . . 
       186 .  19 LEU N    N 119.918 . . 
       187 .  19 LEU H    H   8.191 . . 
       188 .  19 LEU CA   C  57.577 . . 
       189 .  19 LEU HA   H   3.941 . . 
       190 .  19 LEU CB   C  42.732 . . 
       191 .  19 LEU HB3  H   1.723 . . 
       192 .  19 LEU HB2  H   0.998 . . 
       193 .  19 LEU CG   C  26.302 . . 
       194 .  19 LEU HG   H   1.742 . . 
       195 .  19 LEU CD1  C  26.347 . . 
       196 .  19 LEU HD1  H   0.556 . . 
       197 .  19 LEU CD2  C  22.563 . . 
       198 .  19 LEU HD2  H   0.782 . . 
       199 .  19 LEU C    C 179.425 . . 
       200 .  20 LEU N    N 117.114 . . 
       201 .  20 LEU H    H   7.496 . . 
       202 .  20 LEU CA   C  57.411 . . 
       203 .  20 LEU HA   H   4.114 . . 
       204 .  20 LEU CB   C  41.604 . . 
       205 .  20 LEU HB3  H   1.875 . . 
       206 .  20 LEU HB2  H   1.257 . . 
       207 .  20 LEU CG   C  26.529 . . 
       208 .  20 LEU HG   H   1.742 . . 
       209 .  20 LEU CD1  C  27.117 . . 
       210 .  20 LEU HD1  H   0.715 . . 
       211 .  20 LEU CD2  C  22.932 . . 
       212 .  20 LEU HD2  H   0.650 . . 
       213 .  20 LEU C    C 179.402 . . 
       214 .  21 LEU N    N 121.712 . . 
       215 .  21 LEU H    H   8.985 . . 
       216 .  21 LEU CA   C  58.004 . . 
       217 .  21 LEU HA   H   3.830 . . 
       218 .  21 LEU CB   C  41.715 . . 
       219 .  21 LEU HB3  H   1.728 . . 
       220 .  21 LEU HB2  H   1.386 . . 
       221 .  21 LEU CG   C  27.409 . . 
       222 .  21 LEU HG   H   1.620 . . 
       223 .  21 LEU CD1  C  25.514 . . 
       224 .  21 LEU HD1  H   0.716 . . 
       225 .  21 LEU CD2  C  23.057 . . 
       226 .  21 LEU HD2  H   0.729 . . 
       227 .  21 LEU C    C 179.448 . . 
       228 .  22 ALA N    N 119.032 . . 
       229 .  22 ALA H    H   7.686 . . 
       230 .  22 ALA CA   C  54.222 . . 
       231 .  22 ALA HA   H   4.058 . . 
       232 .  22 ALA CB   C  18.381 . . 
       233 .  22 ALA HB   H   1.458 . . 
       234 .  22 ALA C    C 179.212 . . 
       235 .  23 THR N    N 109.333 . . 
       236 .  23 THR H    H   7.419 . . 
       237 .  23 THR CA   C  64.314 . . 
       238 .  23 THR HA   H   4.091 . . 
       239 .  23 THR CB   C  69.415 . . 
       240 .  23 THR HB   H   4.141 . . 
       241 .  23 THR CG2  C  21.425 . . 
       242 .  23 THR HG2  H   1.401 . . 
       243 .  23 THR C    C 176.706 . . 
       244 .  24 GLY N    N 106.409 . . 
       245 .  24 GLY H    H   7.356 . . 
       246 .  24 GLY CA   C  46.547 . . 
       247 .  24 GLY HA3  H   3.700 . . 
       248 .  24 GLY HA2  H   3.907 . . 
       249 .  24 GLY C    C 173.180 . . 
       250 .  25 LEU N    N 120.797 . . 
       251 .  25 LEU H    H   7.295 . . 
       252 .  25 LEU CA   C  52.934 . . 
       253 .  25 LEU HA   H   4.613 . . 
       254 .  25 LEU CB   C  43.936 . . 
       255 .  25 LEU HB3  H   1.104 . . 
       256 .  25 LEU HB2  H   1.104 . . 
       257 .  25 LEU CG   C  25.685 . . 
       258 .  25 LEU HG   H   1.272 . . 
       259 .  25 LEU CD1  C  24.184 . . 
       260 .  25 LEU HD1  H   0.194 . . 
       261 .  25 LEU CD2  C  23.054 . . 
       262 .  25 LEU HD2  H   0.523 . . 
       263 .  25 LEU C    C 175.759 . . 
       264 .  26 ASP N    N 127.752 . . 
       265 .  26 ASP H    H   8.888 . . 
       266 .  26 ASP CA   C  55.703 . . 
       267 .  26 ASP HA   H   4.763 . . 
       268 .  26 ASP CB   C  40.622 . . 
       269 .  26 ASP HB3  H   2.778 . . 
       270 .  26 ASP HB2  H   2.778 . . 
       271 .  26 ASP C    C 177.601 . . 
       272 .  27 GLY N    N 108.486 . . 
       273 .  27 GLY H    H   9.979 . . 
       274 .  27 GLY CA   C  45.187 . . 
       275 .  27 GLY HA3  H   4.621 . . 
       276 .  27 GLY HA2  H   3.632 . . 
       277 .  27 GLY C    C 176.386 . . 
       278 .  28 SER N    N 121.801 . . 
       279 .  28 SER H    H   8.330 . . 
       280 .  28 SER CA   C  59.165 . . 
       281 .  28 SER HA   H   6.323 . . 
       282 .  28 SER CB   C  63.704 . . 
       283 .  28 SER HB3  H   3.983 . . 
       284 .  28 SER HB2  H   3.983 . . 
       285 .  28 SER C    C 173.456 . . 
       286 .  29 TYR N    N 118.412 . . 
       287 .  29 TYR H    H   8.279 . . 
       288 .  29 TYR CA   C  56.009 . . 
       289 .  29 TYR HA   H   6.271 . . 
       290 .  29 TYR CB   C  43.658 . . 
       291 .  29 TYR HB3  H   2.887 . . 
       292 .  29 TYR HB2  H   2.887 . . 
       293 .  29 TYR CD1  C 134.029 . . 
       294 .  29 TYR HD1  H   7.438 . . 
       295 .  29 TYR CE1  C 117.400 . . 
       296 .  29 TYR HE1  H   6.502 . . 
       297 .  29 TYR CE2  C 117.440 . . 
       298 .  29 TYR HE2  H   6.307 . . 
       299 .  29 TYR CD2  C 132.458 . . 
       300 .  29 TYR HD2  H   6.508 . . 
       301 .  29 TYR C    C 171.617 . . 
       302 .  30 LEU N    N 112.084 . . 
       303 .  30 LEU H    H   8.751 . . 
       304 .  30 LEU CA   C  54.280 . . 
       305 .  30 LEU HA   H   4.722 . . 
       306 .  30 LEU CB   C  44.088 . . 
       307 .  30 LEU HB3  H   1.891 . . 
       308 .  30 LEU HB2  H   2.263 . . 
       309 .  30 LEU CG   C  26.090 . . 
       310 .  30 LEU HG   H   1.578 . . 
       311 .  30 LEU CD1  C  24.148 . . 
       312 .  30 LEU HD1  H   0.618 . . 
       313 .  30 LEU CD2  C  27.765 . . 
       314 .  30 LEU HD2  H   0.302 . . 
       315 .  30 LEU C    C 173.917 . . 
       316 .  31 LEU N    N 121.318 . . 
       317 .  31 LEU H    H   8.972 . . 
       318 .  31 LEU CA   C  53.367 . . 
       319 .  31 LEU HA   H   5.932 . . 
       320 .  31 LEU CB   C  48.000 . . 
       321 .  31 LEU HB3  H   1.437 . . 
       322 .  31 LEU HB2  H   1.762 . . 
       323 .  31 LEU CG   C  27.548 . . 
       324 .  31 LEU HG   H   1.656 . . 
       325 .  31 LEU CD1  C  25.461 . . 
       326 .  31 LEU HD1  H   0.783 . . 
       327 .  31 LEU CD2  C  25.754 . . 
       328 .  31 LEU HD2  H   0.640 . . 
       329 .  31 LEU C    C 174.540 . . 
       330 .  32 ARG N    N 119.531 . . 
       331 .  32 ARG H    H   8.989 . . 
       332 .  32 ARG CA   C  53.601 . . 
       333 .  32 ARG HA   H   5.406 . . 
       334 .  32 ARG CB   C  33.833 . . 
       335 .  32 ARG HB3  H   2.135 . . 
       336 .  32 ARG HB2  H   1.677 . . 
       337 .  32 ARG CG   C  26.678 . . 
       338 .  32 ARG HG3  H   1.583 . . 
       339 .  32 ARG HG2  H   1.436 . . 
       340 .  32 ARG CD   C  42.729 . . 
       341 .  32 ARG HD3  H   3.205 . . 
       342 .  32 ARG HD2  H   2.597 . . 
       343 .  32 ARG NE   N 145.595 . . 
       344 .  32 ARG HE   H   8.258 . . 
       345 .  32 ARG C    C 174.054 . . 
       346 .  33 ASP N    N 124.715 . . 
       347 .  33 ASP H    H   8.607 . . 
       348 .  33 ASP CA   C  56.092 . . 
       349 .  33 ASP HA   H   4.916 . . 
       350 .  33 ASP CB   C  39.825 . . 
       351 .  33 ASP HB3  H   2.818 . . 
       352 .  33 ASP HB2  H   2.694 . . 
       353 .  33 ASP C    C 177.540 . . 
       354 .  34 SER N    N 117.670 . . 
       355 .  34 SER H    H   8.501 . . 
       356 .  34 SER CA   C  58.561 . . 
       357 .  34 SER HA   H   4.788 . . 
       358 .  34 SER CB   C  63.804 . . 
       359 .  34 SER HB3  H   3.843 . . 
       360 .  34 SER HB2  H   4.037 . . 
       361 .  34 SER C    C 176.983 . . 
       362 .  35 GLU N    N 130.648 . . 
       363 .  35 GLU H    H  11.130 . . 
       364 .  35 GLU CA   C  57.607 . . 
       365 .  35 GLU HA   H   4.399 . . 
       366 .  35 GLU CB   C  30.912 . . 
       367 .  35 GLU HB3  H   2.195 . . 
       368 .  35 GLU HB2  H   2.195 . . 
       369 .  35 GLU CG   C  37.898 . . 
       370 .  35 GLU HG3  H   2.404 . . 
       371 .  35 GLU HG2  H   2.404 . . 
       372 .  35 GLU C    C 177.008 . . 
       373 .  36 SER N    N 113.938 . . 
       374 .  36 SER H    H   8.204 . . 
       375 .  36 SER CA   C  59.765 . . 
       376 .  36 SER HA   H   4.518 . . 
       377 .  36 SER CB   C  64.634 . . 
       378 .  36 SER HB3  H   3.628 . . 
       379 .  36 SER HB2  H   3.628 . . 
       380 .  36 SER C    C 173.756 . . 
       381 .  37 VAL N    N 124.476 . . 
       382 .  37 VAL H    H   7.968 . . 
       383 .  37 VAL CA   C  59.114 . . 
       384 .  37 VAL HA   H   4.488 . . 
       385 .  37 VAL CB   C  33.171 . . 
       386 .  37 VAL HB   H   1.865 . . 
       387 .  37 VAL CG2  C  19.757 . . 
       388 .  37 VAL HG2  H   0.720 . . 
       389 .  37 VAL CG1  C  22.144 . . 
       390 .  37 VAL HG1  H   0.894 . . 
       391 .  37 VAL C    C 172.978 . . 
       392 .  38 PRO N    N 113.434 . . 
       393 .  38 PRO CA   C  63.344 . . 
       394 .  38 PRO HA   H   4.356 . . 
       395 .  38 PRO CB   C  31.919 . . 
       396 .  38 PRO HB3  H   1.870 . . 
       397 .  38 PRO HB2  H   2.267 . . 
       398 .  38 PRO CG   C  27.485 . . 
       399 .  38 PRO HG3  H   2.074 . . 
       400 .  38 PRO HG2  H   2.074 . . 
       401 .  38 PRO CD   C  50.908 . . 
       402 .  38 PRO HD3  H   3.747 . . 
       403 .  38 PRO HD2  H   3.679 . . 
       404 .  38 PRO C    C 177.648 . . 
       405 .  39 GLY N    N 111.055 . . 
       406 .  39 GLY H    H   8.469 . . 
       407 .  39 GLY CA   C  45.708 . . 
       408 .  39 GLY HA3  H   3.687 . . 
       409 .  39 GLY HA2  H   4.106 . . 
       410 .  39 GLY C    C 172.764 . . 
       411 .  40 VAL N    N 118.990 . . 
       412 .  40 VAL H    H   7.264 . . 
       413 .  40 VAL CA   C  60.777 . . 
       414 .  40 VAL HA   H   4.493 . . 
       415 .  40 VAL CB   C  34.069 . . 
       416 .  40 VAL HB   H   2.202 . . 
       417 .  40 VAL CG2  C  23.384 . . 
       418 .  40 VAL HG2  H   0.980 . . 
       419 .  40 VAL CG1  C  22.036 . . 
       420 .  40 VAL HG1  H   1.171 . . 
       421 .  40 VAL C    C 174.332 . . 
       422 .  41 TYR N    N 123.980 . . 
       423 .  41 TYR H    H   8.893 . . 
       424 .  41 TYR CA   C  56.597 . . 
       425 .  41 TYR HA   H   5.335 . . 
       426 .  41 TYR CB   C  41.630 . . 
       427 .  41 TYR HB3  H   2.715 . . 
       428 .  41 TYR HB2  H   3.079 . . 
       429 .  41 TYR CD1  C 132.321 . . 
       430 .  41 TYR HD1  H   7.101 . . 
       431 .  41 TYR CE1  C 118.506 . . 
       432 .  41 TYR HE1  H   6.859 . . 
       433 .  41 TYR CE2  C 118.506 . . 
       434 .  41 TYR HE2  H   6.859 . . 
       435 .  41 TYR CD2  C 132.321 . . 
       436 .  41 TYR HD2  H   7.101 . . 
       437 .  41 TYR C    C 174.399 . . 
       438 .  42 CYS N    N 118.062 . . 
       439 .  42 CYS H    H  10.077 . . 
       440 .  42 CYS CA   C  56.889 . . 
       441 .  42 CYS HA   H   5.235 . . 
       442 .  42 CYS CB   C  30.181 . . 
       443 .  42 CYS HB3  H   2.555 . . 
       444 .  42 CYS HB2  H   2.691 . . 
       445 .  42 CYS C    C 173.017 . . 
       446 .  43 LEU N    N 129.375 . . 
       447 .  43 LEU H    H   9.619 . . 
       448 .  43 LEU CA   C  54.389 . . 
       449 .  43 LEU HA   H   4.933 . . 
       450 .  43 LEU CB   C  43.491 . . 
       451 .  43 LEU HB3  H   2.261 . . 
       452 .  43 LEU HB2  H   1.186 . . 
       453 .  43 LEU CG   C  27.405 . . 
       454 .  43 LEU HG   H   1.542 . . 
       455 .  43 LEU CD1  C  22.553 . . 
       456 .  43 LEU HD1  H   0.805 . . 
       457 .  43 LEU CD2  C  25.439 . . 
       458 .  43 LEU HD2  H   0.601 . . 
       459 .  43 LEU C    C 173.967 . . 
       460 .  44 CYS N    N 127.021 . . 
       461 .  44 CYS H    H   9.114 . . 
       462 .  44 CYS CA   C  57.578 . . 
       463 .  44 CYS HA   H   5.026 . . 
       464 .  44 CYS CB   C  30.016 . . 
       465 .  44 CYS HB3  H   2.297 . . 
       466 .  44 CYS HB2  H   2.809 . . 
       467 .  44 CYS C    C 172.890 . . 
       468 .  45 VAL N    N 123.988 . . 
       469 .  45 VAL H    H   9.509 . . 
       470 .  45 VAL CA   C  59.754 . . 
       471 .  45 VAL HA   H   5.340 . . 
       472 .  45 VAL CB   C  35.919 . . 
       473 .  45 VAL HB   H   2.129 . . 
       474 .  45 VAL CG2  C  21.621 . . 
       475 .  45 VAL HG2  H   0.978 . . 
       476 .  45 VAL CG1  C  20.588 . . 
       477 .  45 VAL HG1  H   1.035 . . 
       478 .  45 VAL C    C 173.927 . . 
       479 .  46 LEU N    N 129.672 . . 
       480 .  46 LEU H    H   8.714 . . 
       481 .  46 LEU CA   C  54.999 . . 
       482 .  46 LEU HA   H   5.024 . . 
       483 .  46 LEU CB   C  43.954 . . 
       484 .  46 LEU HB3  H   1.208 . . 
       485 .  46 LEU HB2  H   2.227 . . 
       486 .  46 LEU CG   C  27.126 . . 
       487 .  46 LEU HG   H   1.728 . . 
       488 .  46 LEU CD1  C  23.680 . . 
       489 .  46 LEU HD1  H   0.748 . . 
       490 .  46 LEU CD2  C  25.480 . . 
       491 .  46 LEU HD2  H   0.721 . . 
       492 .  46 LEU C    C 175.681 . . 
       493 .  47 TYR N    N 126.680 . . 
       494 .  47 TYR H    H   9.735 . . 
       495 .  47 TYR CA   C  58.412 . . 
       496 .  47 TYR HA   H   4.848 . . 
       497 .  47 TYR CB   C  40.300 . . 
       498 .  47 TYR HB3  H   2.829 . . 
       499 .  47 TYR HB2  H   2.971 . . 
       500 .  47 TYR CD1  C 132.352 . . 
       501 .  47 TYR HD1  H   6.813 . . 
       502 .  47 TYR CE1  C 117.397 . . 
       503 .  47 TYR HE1  H   6.514 . . 
       504 .  47 TYR CE2  C 117.397 . . 
       505 .  47 TYR HE2  H   6.514 . . 
       506 .  47 TYR CD2  C 132.352 . . 
       507 .  47 TYR HD2  H   6.813 . . 
       508 .  47 TYR C    C 174.425 . . 
       509 .  48 HIS N    N 126.916 . . 
       510 .  48 HIS H    H   9.841 . . 
       511 .  48 HIS CA   C  54.656 . . 
       512 .  48 HIS HA   H   4.192 . . 
       513 .  48 HIS CB   C  26.861 . . 
       514 .  48 HIS HB3  H   2.828 . . 
       515 .  48 HIS HB2  H   3.351 . . 
       516 .  48 HIS CD2  C 117.566 . . 
       517 .  48 HIS HD2  H   6.879 . . 
       518 .  48 HIS C    C 175.003 . . 
       519 .  49 GLY N    N 103.141 . . 
       520 .  49 GLY H    H   8.552 . . 
       521 .  49 GLY CA   C  45.466 . . 
       522 .  49 GLY HA3  H   3.313 . . 
       523 .  49 GLY HA2  H   3.991 . . 
       524 .  49 GLY C    C 171.407 . . 
       525 .  50 TYR N    N 116.181 . . 
       526 .  50 TYR H    H   7.798 . . 
       527 .  50 TYR CA   C  56.850 . . 
       528 .  50 TYR HA   H   4.859 . . 
       529 .  50 TYR CB   C  42.289 . . 
       530 .  50 TYR HB3  H   2.948 . . 
       531 .  50 TYR HB2  H   2.635 . . 
       532 .  50 TYR CD1  C 132.993 . . 
       533 .  50 TYR HD1  H   7.281 . . 
       534 .  50 TYR CE1  C 117.523 . . 
       535 .  50 TYR HE1  H   6.856 . . 
       536 .  50 TYR CE2  C 117.523 . . 
       537 .  50 TYR HE2  H   6.856 . . 
       538 .  50 TYR CD2  C 132.993 . . 
       539 .  50 TYR HD2  H   7.281 . . 
       540 .  50 TYR C    C 173.488 . . 
       541 .  51 ILE N    N 121.303 . . 
       542 .  51 ILE H    H   8.917 . . 
       543 .  51 ILE CA   C  59.928 . . 
       544 .  51 ILE HA   H   4.671 . . 
       545 .  51 ILE CB   C  36.527 . . 
       546 .  51 ILE HB   H   1.914 . . 
       547 .  51 ILE CG1  C  31.641 . . 
       548 .  51 ILE HG13 H   1.163 . . 
       549 .  51 ILE HG12 H   1.421 . . 
       550 .  51 ILE CD1  C  14.320 . . 
       551 .  51 ILE HD1  H   0.746 . . 
       552 .  51 ILE CG2  C  21.654 . . 
       553 .  51 ILE HG2  H   0.596 . . 
       554 .  51 ILE C    C 176.888 . . 
       555 .  52 TYR N    N 134.390 . . 
       556 .  52 TYR H    H   9.568 . . 
       557 .  52 TYR CA   C  59.819 . . 
       558 .  52 TYR HA   H   4.393 . . 
       559 .  52 TYR CB   C  38.584 . . 
       560 .  52 TYR HB3  H   3.131 . . 
       561 .  52 TYR HB2  H   2.756 . . 
       562 .  52 TYR CD1  C 132.560 . . 
       563 .  52 TYR HD1  H   7.178 . . 
       564 .  52 TYR CE1  C 118.337 . . 
       565 .  52 TYR HE1  H   7.147 . . 
       566 .  52 TYR CE2  C 118.337 . . 
       567 .  52 TYR HE2  H   7.147 . . 
       568 .  52 TYR CD2  C 132.560 . . 
       569 .  52 TYR HD2  H   7.178 . . 
       570 .  52 TYR C    C 175.008 . . 
       571 .  53 THR N    N 120.789 . . 
       572 .  53 THR H    H   8.773 . . 
       573 .  53 THR CA   C  61.518 . . 
       574 .  53 THR HA   H   5.195 . . 
       575 .  53 THR CB   C  69.803 . . 
       576 .  53 THR HB   H   2.715 . . 
       577 .  53 THR CG2  C  22.551 . . 
       578 .  53 THR HG2  H   0.927 . . 
       579 .  53 THR C    C 171.749 . . 
       580 .  54 TYR N    N 126.801 . . 
       581 .  54 TYR H    H   9.405 . . 
       582 .  54 TYR CA   C  55.812 . . 
       583 .  54 TYR HA   H   4.980 . . 
       584 .  54 TYR CB   C  40.038 . . 
       585 .  54 TYR HB3  H   2.768 . . 
       586 .  54 TYR HB2  H   2.863 . . 
       587 .  54 TYR CD1  C 133.518 . . 
       588 .  54 TYR HD1  H   7.137 . . 
       589 .  54 TYR CE1  C 117.694 . . 
       590 .  54 TYR HE1  H   6.725 . . 
       591 .  54 TYR CE2  C 117.694 . . 
       592 .  54 TYR HE2  H   6.725 . . 
       593 .  54 TYR CD2  C 133.518 . . 
       594 .  54 TYR HD2  H   7.216 . . 
       595 .  54 TYR C    C 175.824 . . 
       596 .  55 ARG N    N 126.007 . . 
       597 .  55 ARG H    H   9.729 . . 
       598 .  55 ARG CA   C  58.087 . . 
       599 .  55 ARG HA   H   5.165 . . 
       600 .  55 ARG CB   C  29.954 . . 
       601 .  55 ARG HB3  H   2.045 . . 
       602 .  55 ARG HB2  H   1.725 . . 
       603 .  55 ARG CG   C  30.156 . . 
       604 .  55 ARG HG3  H   2.127 . . 
       605 .  55 ARG HG2  H   1.920 . . 
       606 .  55 ARG CD   C  43.505 . . 
       607 .  55 ARG HD3  H   3.304 . . 
       608 .  55 ARG HD2  H   3.035 . . 
       609 .  55 ARG NE   N 145.528 . . 
       610 .  55 ARG HE   H   8.083 . . 
       611 .  55 ARG C    C 176.142 . . 
       612 .  56 VAL N    N 126.814 . . 
       613 .  56 VAL H    H   9.678 . . 
       614 .  56 VAL CA   C  61.483 . . 
       615 .  56 VAL HA   H   5.173 . . 
       616 .  56 VAL CB   C  34.895 . . 
       617 .  56 VAL HB   H   2.047 . . 
       618 .  56 VAL CG2  C  21.533 . . 
       619 .  56 VAL HG2  H   0.989 . . 
       620 .  56 VAL CG1  C  22.321 . . 
       621 .  56 VAL HG1  H   1.118 . . 
       622 .  56 VAL C    C 173.916 . . 
       623 .  57 SER N    N 119.797 . . 
       624 .  57 SER H    H   8.929 . . 
       625 .  57 SER CA   C  56.483 . . 
       626 .  57 SER HA   H   5.395 . . 
       627 .  57 SER CB   C  67.031 . . 
       628 .  57 SER HB3  H   3.922 . . 
       629 .  57 SER HB2  H   3.987 . . 
       630 .  57 SER C    C 172.328 . . 
       631 .  58 GLN N    N 122.774 . . 
       632 .  58 GLN H    H   8.686 . . 
       633 .  58 GLN CA   C  53.622 . . 
       634 .  58 GLN HA   H   4.786 . . 
       635 .  58 GLN CB   C  30.239 . . 
       636 .  58 GLN HB3  H   0.527 . . 
       637 .  58 GLN HB2  H   1.324 . . 
       638 .  58 GLN CG   C  33.460 . . 
       639 .  58 GLN HG3  H   1.504 . . 
       640 .  58 GLN HG2  H   0.709 . . 
       641 .  58 GLN NE2  N 111.385 . . 
       642 .  58 GLN HE21 H   6.772 . . 
       643 .  58 GLN HE22 H   6.772 . . 
       644 .  58 GLN C    C 177.091 . . 
       645 .  59 THR N    N 116.362 . . 
       646 .  59 THR H    H   8.857 . . 
       647 .  59 THR CA   C  60.599 . . 
       648 .  59 THR HA   H   4.488 . . 
       649 .  59 THR CB   C  71.171 . . 
       650 .  59 THR HB   H   4.572 . . 
       651 .  59 THR CG2  C  22.050 . . 
       652 .  59 THR HG2  H   1.205 . . 
       653 .  59 THR C    C 176.647 . . 
       654 .  60 GLU N    N 120.568 . . 
       655 .  60 GLU H    H   9.277 . . 
       656 .  60 GLU CA   C  58.770 . . 
       657 .  60 GLU HA   H   4.136 . . 
       658 .  60 GLU CB   C  29.125 . . 
       659 .  60 GLU HB3  H   2.087 . . 
       660 .  60 GLU HB2  H   2.087 . . 
       661 .  60 GLU CG   C  36.159 . . 
       662 .  60 GLU HG3  H   2.316 . . 
       663 .  60 GLU HG2  H   2.316 . . 
       664 .  60 GLU C    C 177.112 . . 
       665 .  61 THR N    N 106.864 . . 
       666 .  61 THR H    H   7.532 . . 
       667 .  61 THR CA   C  61.337 . . 
       668 .  61 THR HA   H   4.360 . . 
       669 .  61 THR CB   C  68.877 . . 
       670 .  61 THR HB   H   4.454 . . 
       671 .  61 THR CG2  C  21.789 . . 
       672 .  61 THR HG2  H   1.137 . . 
       673 .  61 THR C    C 175.485 . . 
       674 .  62 GLY N    N 110.534 . . 
       675 .  62 GLY H    H   7.840 . . 
       676 .  62 GLY CA   C  45.226 . . 
       677 .  62 GLY HA3  H   3.534 . . 
       678 .  62 GLY HA2  H   4.291 . . 
       679 .  62 GLY C    C 173.978 . . 
       680 .  63 SER N    N 115.524 . . 
       681 .  63 SER H    H   7.195 . . 
       682 .  63 SER CA   C  57.937 . . 
       683 .  63 SER HA   H   4.795 . . 
       684 .  63 SER CB   C  64.422 . . 
       685 .  63 SER HB3  H   3.842 . . 
       686 .  63 SER HB2  H   3.718 . . 
       687 .  63 SER C    C 171.985 . . 
       688 .  64 TRP N    N 122.067 . . 
       689 .  64 TRP H    H   9.690 . . 
       690 .  64 TRP CA   C  56.540 . . 
       691 .  64 TRP HA   H   5.421 . . 
       692 .  64 TRP CB   C  32.466 . . 
       693 .  64 TRP HB3  H   2.905 . . 
       694 .  64 TRP HB2  H   3.028 . . 
       695 .  64 TRP CD1  C 126.487 . . 
       696 .  64 TRP HD1  H   7.027 . . 
       697 .  64 TRP NE1  N 129.233 . . 
       698 .  64 TRP HE1  H  10.097 . . 
       699 .  64 TRP CZ2  C 114.471 . . 
       700 .  64 TRP HZ2  H   7.407 . . 
       701 .  64 TRP CH2  C 124.396 . . 
       702 .  64 TRP HH2  H   7.125 . . 
       703 .  64 TRP CZ3  C 121.335 . . 
       704 .  64 TRP HZ3  H   7.077 . . 
       705 .  64 TRP CE3  C 119.553 . . 
       706 .  64 TRP HE3  H   7.308 . . 
       707 .  64 TRP C    C 176.339 . . 
       708 .  65 SER N    N 113.608 . . 
       709 .  65 SER H    H   9.069 . . 
       710 .  65 SER CA   C  57.516 . . 
       711 .  65 SER HA   H   4.971 . . 
       712 .  65 SER CB   C  66.440 . . 
       713 .  65 SER HB3  H   3.580 . . 
       714 .  65 SER HB2  H   3.625 . . 
       715 .  65 SER C    C 172.358 . . 
       716 .  66 ALA N    N 125.772 . . 
       717 .  66 ALA H    H   9.629 . . 
       718 .  66 ALA CA   C  49.781 . . 
       719 .  66 ALA HA   H   5.479 . . 
       720 .  66 ALA CB   C  21.111 . . 
       721 .  66 ALA HB   H   1.277 . . 
       722 .  66 ALA C    C 176.396 . . 
       723 .  67 GLU N    N 123.772 . . 
       724 .  67 GLU H    H   8.737 . . 
       725 .  67 GLU CA   C  55.664 . . 
       726 .  67 GLU HA   H   4.618 . . 
       727 .  67 GLU CB   C  29.362 . . 
       728 .  67 GLU HB3  H   2.083 . . 
       729 .  67 GLU HB2  H   2.421 . . 
       730 .  67 GLU CG   C  36.437 . . 
       731 .  67 GLU HG3  H   2.334 . . 
       732 .  67 GLU HG2  H   2.334 . . 
       733 .  67 GLU C    C 175.698 . . 
       734 .  68 THR N    N 115.154 . . 
       735 .  68 THR H    H   7.990 . . 
       736 .  68 THR CA   C  61.197 . . 
       737 .  68 THR HA   H   4.508 . . 
       738 .  68 THR CB   C  69.807 . . 
       739 .  68 THR HB   H   4.447 . . 
       740 .  68 THR CG2  C  22.143 . . 
       741 .  68 THR HG2  H   1.037 . . 
       742 .  68 THR C    C 173.742 . . 
       743 .  69 ALA N    N 123.643 . . 
       744 .  69 ALA H    H   8.466 . . 
       745 .  69 ALA CA   C  50.999 . . 
       746 .  69 ALA HA   H   4.658 . . 
       747 .  69 ALA CB   C  18.259 . . 
       748 .  69 ALA HB   H   1.451 . . 
       749 .  69 ALA C    C 175.170 . . 
       750 .  70 PRO N    N 109.356 . . 
       751 .  70 PRO CA   C  63.985 . . 
       752 .  70 PRO HA   H   4.426 . . 
       753 .  70 PRO CB   C  31.688 . . 
       754 .  70 PRO HB3  H   1.925 . . 
       755 .  70 PRO HB2  H   2.347 . . 
       756 .  70 PRO CG   C  27.783 . . 
       757 .  70 PRO HG3  H   2.138 . . 
       758 .  70 PRO HG2  H   2.064 . . 
       759 .  70 PRO CD   C  50.357 . . 
       760 .  70 PRO HD3  H   3.676 . . 
       761 .  70 PRO HD2  H   3.902 . . 
       762 .  70 PRO C    C 177.540 . . 
       763 .  71 GLY N    N 110.988 . . 
       764 .  71 GLY H    H   8.816 . . 
       765 .  71 GLY CA   C  45.384 . . 
       766 .  71 GLY HA3  H   4.139 . . 
       767 .  71 GLY HA2  H   3.744 . . 
       768 .  71 GLY C    C 173.978 . . 
       769 .  72 VAL N    N 120.213 . . 
       770 .  72 VAL H    H   7.554 . . 
       771 .  72 VAL CA   C  61.597 . . 
       772 .  72 VAL HA   H   4.098 . . 
       773 .  72 VAL CB   C  32.792 . . 
       774 .  72 VAL HB   H   2.053 . . 
       775 .  72 VAL CG2  C  21.211 . . 
       776 .  72 VAL HG2  H   0.837 . . 
       777 .  72 VAL CG1  C  21.066 . . 
       778 .  72 VAL HG1  H   0.871 . . 
       779 .  72 VAL C    C 175.632 . . 
       780 .  73 HIS N    N 126.238 . . 
       781 .  73 HIS H    H   8.629 . . 
       782 .  73 HIS CA   C  55.900 . . 
       783 .  73 HIS HA   H   4.534 . . 
       784 .  73 HIS CB   C  29.496 . . 
       785 .  73 HIS HB3  H   3.074 . . 
       786 .  73 HIS HB2  H   3.074 . . 
       787 .  73 HIS CD2  C 119.369 . . 
       788 .  73 HIS HD2  H   7.055 . . 
       789 .  73 HIS C    C 174.290 . . 
       790 .  74 LYS N    N 126.340 . . 
       791 .  74 LYS H    H   8.487 . . 
       792 .  74 LYS CA   C  56.936 . . 
       793 .  74 LYS HA   H   4.231 . . 
       794 .  74 LYS CB   C  33.251 . . 
       795 .  74 LYS HB3  H   1.592 . . 
       796 .  74 LYS HB2  H   1.675 . . 
       797 .  74 LYS CG   C  24.790 . . 
       798 .  74 LYS HG3  H   1.221 . . 
       799 .  74 LYS HG2  H   1.408 . . 
       800 .  74 LYS CD   C  29.034 . . 
       801 .  74 LYS HD3  H   1.679 . . 
       802 .  74 LYS HD2  H   1.679 . . 
       803 .  74 LYS CE   C  41.913 . . 
       804 .  74 LYS HE3  H   2.955 . . 
       805 .  74 LYS HE2  H   3.002 . . 
       806 .  74 LYS C    C 175.427 . . 
       807 .  75 ARG N    N 122.201 . . 
       808 .  75 ARG H    H   7.925 . . 
       809 .  75 ARG CA   C  54.571 . . 
       810 .  75 ARG HA   H   4.378 . . 
       811 .  75 ARG CB   C  33.451 . . 
       812 .  75 ARG HB3  H   1.576 . . 
       813 .  75 ARG HB2  H   1.509 . . 
       814 .  75 ARG CG   C  26.976 . . 
       815 .  75 ARG HG3  H   1.670 . . 
       816 .  75 ARG HG2  H   1.416 . . 
       817 .  75 ARG CD   C  43.618 . . 
       818 .  75 ARG HD3  H   3.248 . . 
       819 .  75 ARG HD2  H   3.142 . . 
       820 .  75 ARG C    C 173.841 . . 
       821 .  76 TYR N    N 120.124 . . 
       822 .  76 TYR H    H   8.158 . . 
       823 .  76 TYR CA   C  56.534 . . 
       824 .  76 TYR HA   H   5.138 . . 
       825 .  76 TYR CB   C  40.986 . . 
       826 .  76 TYR HB3  H   2.614 . . 
       827 .  76 TYR HB2  H   2.746 . . 
       828 .  76 TYR CD1  C 132.641 . . 
       829 .  76 TYR HD1  H   6.886 . . 
       830 .  76 TYR CE1  C 117.577 . . 
       831 .  76 TYR HE1  H   6.679 . . 
       832 .  76 TYR CE2  C 117.577 . . 
       833 .  76 TYR HE2  H   6.679 . . 
       834 .  76 TYR CD2  C 132.641 . . 
       835 .  76 TYR HD2  H   6.886 . . 
       836 .  76 TYR C    C 175.373 . . 
       837 .  77 PHE N    N 119.094 . . 
       838 .  77 PHE H    H   9.463 . . 
       839 .  77 PHE CA   C  56.777 . . 
       840 .  77 PHE HA   H   5.014 . . 
       841 .  77 PHE CB   C  43.643 . . 
       842 .  77 PHE HB3  H   2.583 . . 
       843 .  77 PHE HB2  H   3.259 . . 
       844 .  77 PHE CD1  C 131.371 . . 
       845 .  77 PHE HD1  H   7.214 . . 
       846 .  77 PHE CE1  C 129.059 . . 
       847 .  77 PHE HE1  H   6.842 . . 
       848 .  77 PHE CE2  C 129.059 . . 
       849 .  77 PHE HE2  H   6.842 . . 
       850 .  77 PHE CD2  C 131.371 . . 
       851 .  77 PHE HD2  H   7.214 . . 
       852 .  77 PHE C    C 175.911 . . 
       853 .  78 ARG N    N 123.466 . . 
       854 .  78 ARG H    H   9.582 . . 
       855 .  78 ARG CA   C  58.412 . . 
       856 .  78 ARG HA   H   4.424 . . 
       857 .  78 ARG CB   C  30.549 . . 
       858 .  78 ARG HB3  H   2.050 . . 
       859 .  78 ARG HB2  H   2.050 . . 
       860 .  78 ARG CG   C  27.567 . . 
       861 .  78 ARG HG3  H   1.794 . . 
       862 .  78 ARG HG2  H   1.897 . . 
       863 .  78 ARG CD   C  42.708 . . 
       864 .  78 ARG HD3  H   3.286 . . 
       865 .  78 ARG HD2  H   3.286 . . 
       866 .  78 ARG C    C 176.124 . . 
       867 .  79 LYS N    N 112.774 . . 
       868 .  79 LYS H    H   7.497 . . 
       869 .  79 LYS CA   C  53.532 . . 
       870 .  79 LYS HA   H   4.940 . . 
       871 .  79 LYS CB   C  36.010 . . 
       872 .  79 LYS HB3  H   1.640 . . 
       873 .  79 LYS HB2  H   2.163 . . 
       874 .  79 LYS CG   C  25.133 . . 
       875 .  79 LYS HG3  H   1.483 . . 
       876 .  79 LYS HG2  H   1.483 . . 
       877 .  79 LYS CD   C  29.226 . . 
       878 .  79 LYS HD3  H   1.814 . . 
       879 .  79 LYS HD2  H   1.717 . . 
       880 .  79 LYS CE   C  42.132 . . 
       881 .  79 LYS HE3  H   3.037 . . 
       882 .  79 LYS HE2  H   3.037 . . 
       883 .  79 LYS C    C 177.058 . . 
       884 .  80 ILE N    N 127.082 . . 
       885 .  80 ILE H    H   8.993 . . 
       886 .  80 ILE CA   C  63.137 . . 
       887 .  80 ILE HA   H   3.211 . . 
       888 .  80 ILE CB   C  35.697 . . 
       889 .  80 ILE HB   H   0.859 . . 
       890 .  80 ILE CG1  C  28.514 . . 
       891 .  80 ILE HG13 H   0.179 . . 
       892 .  80 ILE HG12 H   0.425 . . 
       893 .  80 ILE CD1  C  11.660 . . 
       894 .  80 ILE HD1  H  -0.297 . . 
       895 .  80 ILE CG2  C  17.663 . . 
       896 .  80 ILE HG2  H   0.413 . . 
       897 .  80 ILE C    C 177.580 . . 
       898 .  81 LYS N    N 119.638 . . 
       899 .  81 LYS H    H   8.748 . . 
       900 .  81 LYS CA   C  59.546 . . 
       901 .  81 LYS HA   H   3.763 . . 
       902 .  81 LYS CB   C  31.737 . . 
       903 .  81 LYS HB3  H   1.780 . . 
       904 .  81 LYS HB2  H   1.583 . . 
       905 .  81 LYS CG   C  24.733 . . 
       906 .  81 LYS HG3  H   1.319 . . 
       907 .  81 LYS HG2  H   1.319 . . 
       908 .  81 LYS CD   C  29.334 . . 
       909 .  81 LYS HD3  H   1.638 . . 
       910 .  81 LYS HD2  H   1.638 . . 
       911 .  81 LYS CE   C  41.985 . . 
       912 .  81 LYS HE3  H   2.936 . . 
       913 .  81 LYS HE2  H   2.936 . . 
       914 .  81 LYS C    C 177.658 . . 
       915 .  82 ASN N    N 116.280 . . 
       916 .  82 ASN H    H   6.902 . . 
       917 .  82 ASN CA   C  55.235 . . 
       918 .  82 ASN HA   H   4.461 . . 
       919 .  82 ASN CB   C  38.926 . . 
       920 .  82 ASN HB3  H   3.046 . . 
       921 .  82 ASN HB2  H   3.194 . . 
       922 .  82 ASN ND2  N 111.588 . . 
       923 .  82 ASN HD21 H   7.231 . . 
       924 .  82 ASN HD22 H   8.023 . . 
       925 .  82 ASN C    C 175.829 . . 
       926 .  83 LEU N    N 125.417 . . 
       927 .  83 LEU H    H   6.780 . . 
       928 .  83 LEU CA   C  58.103 . . 
       929 .  83 LEU HA   H   1.877 . . 
       930 .  83 LEU CB   C  41.658 . . 
       931 .  83 LEU HB3  H   0.893 . . 
       932 .  83 LEU HB2  H   1.615 . . 
       933 .  83 LEU CG   C  26.703 . . 
       934 .  83 LEU HG   H   1.042 . . 
       935 .  83 LEU CD1  C  28.142 . . 
       936 .  83 LEU HD1  H   0.805 . . 
       937 .  83 LEU CD2  C  24.469 . . 
       938 .  83 LEU HD2  H   0.347 . . 
       939 .  83 LEU C    C 176.369 . . 
       940 .  84 ILE N    N 117.739 . . 
       941 .  84 ILE H    H   7.627 . . 
       942 .  84 ILE CA   C  64.169 . . 
       943 .  84 ILE HA   H   3.079 . . 
       944 .  84 ILE CB   C  36.761 . . 
       945 .  84 ILE HB   H   1.723 . . 
       946 .  84 ILE CG1  C  28.539 . . 
       947 .  84 ILE HG13 H   1.396 . . 
       948 .  84 ILE HG12 H   0.881 . . 
       949 .  84 ILE CD1  C  12.379 . . 
       950 .  84 ILE HD1  H   0.610 . . 
       951 .  84 ILE CG2  C  17.255 . . 
       952 .  84 ILE HG2  H   0.754 . . 
       953 .  84 ILE C    C 177.043 . . 
       954 .  85 SER N    N 111.494 . . 
       955 .  85 SER H    H   7.506 . . 
       956 .  85 SER CA   C  61.514 . . 
       957 .  85 SER HA   H   4.014 . . 
       958 .  85 SER CB   C  62.710 . . 
       959 .  85 SER HB3  H   3.807 . . 
       960 .  85 SER HB2  H   3.807 . . 
       961 .  85 SER C    C 177.646 . . 
       962 .  86 ALA N    N 124.228 . . 
       963 .  86 ALA H    H   7.602 . . 
       964 .  86 ALA CA   C  54.932 . . 
       965 .  86 ALA HA   H   3.985 . . 
       966 .  86 ALA CB   C  19.197 . . 
       967 .  86 ALA HB   H   1.310 . . 
       968 .  86 ALA C    C 179.605 . . 
       969 .  87 PHE N    N 113.762 . . 
       970 .  87 PHE H    H   7.490 . . 
       971 .  87 PHE CA   C  57.750 . . 
       972 .  87 PHE HA   H   4.530 . . 
       973 .  87 PHE CB   C  36.496 . . 
       974 .  87 PHE HB3  H   2.704 . . 
       975 .  87 PHE HB2  H   3.206 . . 
       976 .  87 PHE CD1  C 129.735 . . 
       977 .  87 PHE HD1  H   6.895 . . 
       978 .  87 PHE CE1  C 129.862 . . 
       979 .  87 PHE HE1  H   7.028 . . 
       980 .  87 PHE CE2  C 129.862 . . 
       981 .  87 PHE HE2  H   7.028 . . 
       982 .  87 PHE CD2  C 129.735 . . 
       983 .  87 PHE HD2  H   6.895 . . 
       984 .  87 PHE C    C 176.314 . . 
       985 .  88 GLN N    N 119.499 . . 
       986 .  88 GLN H    H   7.465 . . 
       987 .  88 GLN CA   C  57.022 . . 
       988 .  88 GLN HA   H   4.479 . . 
       989 .  88 GLN CB   C  28.894 . . 
       990 .  88 GLN HB3  H   2.229 . . 
       991 .  88 GLN HB2  H   2.237 . . 
       992 .  88 GLN CG   C  33.967 . . 
       993 .  88 GLN HG3  H   2.437 . . 
       994 .  88 GLN HG2  H   2.753 . . 
       995 .  88 GLN NE2  N 109.754 . . 
       996 .  88 GLN HE21 H   6.450 . . 
       997 .  88 GLN HE22 H   6.836 . . 
       998 .  88 GLN C    C 175.507 . . 
       999 .  89 LYS N    N 119.426 . . 
      1000 .  89 LYS H    H   7.308 . . 
      1001 .  89 LYS CA   C  53.678 . . 
      1002 .  89 LYS HA   H   4.640 . . 
      1003 .  89 LYS CB   C  32.067 . . 
      1004 .  89 LYS HB3  H   1.862 . . 
      1005 .  89 LYS HB2  H   1.932 . . 
      1006 .  89 LYS CG   C  25.131 . . 
      1007 .  89 LYS HG3  H   1.490 . . 
      1008 .  89 LYS HG2  H   1.583 . . 
      1009 .  89 LYS CD   C  28.788 . . 
      1010 .  89 LYS HD3  H   1.704 . . 
      1011 .  89 LYS HD2  H   1.704 . . 
      1012 .  89 LYS CE   C  42.185 . . 
      1013 .  89 LYS HE3  H   3.019 . . 
      1014 .  89 LYS HE2  H   3.019 . . 
      1015 .  89 LYS C    C 172.919 . . 
      1016 .  90 PRO N    N 131.434 . . 
      1017 .  90 PRO CA   C  62.829 . . 
      1018 .  90 PRO HA   H   4.266 . . 
      1019 .  90 PRO CB   C  32.497 . . 
      1020 .  90 PRO HB3  H   1.841 . . 
      1021 .  90 PRO HB2  H   2.244 . . 
      1022 .  90 PRO CG   C  27.393 . . 
      1023 .  90 PRO HG3  H   2.011 . . 
      1024 .  90 PRO HG2  H   2.011 . . 
      1025 .  90 PRO CD   C  50.060 . . 
      1026 .  90 PRO HD3  H   3.790 . . 
      1027 .  90 PRO HD2  H   3.584 . . 
      1028 .  90 PRO C    C 176.703 . . 
      1029 .  91 ASP N    N 117.893 . . 
      1030 .  91 ASP H    H   8.777 . . 
      1031 .  91 ASP CA   C  55.235 . . 
      1032 .  91 ASP HA   H   4.381 . . 
      1033 .  91 ASP CB   C  39.427 . . 
      1034 .  91 ASP HB3  H   2.823 . . 
      1035 .  91 ASP HB2  H   2.642 . . 
      1036 .  91 ASP C    C 175.261 . . 
      1037 .  92 GLN N    N 115.841 . . 
      1038 .  92 GLN H    H   8.609 . . 
      1039 .  92 GLN CA   C  54.245 . . 
      1040 .  92 GLN HA   H   4.294 . . 
      1041 .  92 GLN CB   C  29.852 . . 
      1042 .  92 GLN HB3  H   1.721 . . 
      1043 .  92 GLN HB2  H   2.096 . . 
      1044 .  92 GLN CG   C  33.385 . . 
      1045 .  92 GLN HG3  H   2.091 . . 
      1046 .  92 GLN HG2  H   2.311 . . 
      1047 .  92 GLN NE2  N 114.434 . . 
      1048 .  92 GLN HE21 H   6.954 . . 
      1049 .  92 GLN HE22 H   6.705 . . 
      1050 .  92 GLN C    C 175.883 . . 
      1051 .  93 GLY N    N 106.603 . . 
      1052 .  93 GLY H    H   8.455 . . 
      1053 .  93 GLY CA   C  45.311 . . 
      1054 .  93 GLY HA3  H   4.284 . . 
      1055 .  93 GLY HA2  H   3.557 . . 
      1056 .  93 GLY C    C 173.811 . . 
      1057 .  94 ILE N    N 111.928 . . 
      1058 .  94 ILE H    H   7.209 . . 
      1059 .  94 ILE CA   C  59.306 . . 
      1060 .  94 ILE HA   H   4.440 . . 
      1061 .  94 ILE CB   C  40.662 . . 
      1062 .  94 ILE HB   H   1.258 . . 
      1063 .  94 ILE CG1  C  25.872 . . 
      1064 .  94 ILE HG13 H   0.731 . . 
      1065 .  94 ILE HG12 H   0.462 . . 
      1066 .  94 ILE CD1  C  14.472 . . 
      1067 .  94 ILE HD1  H   0.402 . . 
      1068 .  94 ILE CG2  C  16.268 . . 
      1069 .  94 ILE HG2  H  -0.355 . . 
      1070 .  94 ILE C    C 177.546 . . 
      1071 .  95 VAL N    N 118.995 . . 
      1072 .  95 VAL H    H   7.242 . . 
      1073 .  95 VAL CA   C  64.460 . . 
      1074 .  95 VAL HA   H   3.408 . . 
      1075 .  95 VAL CB   C  31.429 . . 
      1076 .  95 VAL HB   H   1.274 . . 
      1077 .  95 VAL CG2  C  20.022 . . 
      1078 .  95 VAL HG2  H  -0.088 . . 
      1079 .  95 VAL CG1  C  19.490 . . 
      1080 .  95 VAL HG1  H   0.270 . . 
      1081 .  95 VAL C    C 172.393 . . 
      1082 .  96 ILE N    N 118.591 . . 
      1083 .  96 ILE H    H   6.793 . . 
      1084 .  96 ILE CA   C  56.829 . . 
      1085 .  96 ILE HA   H   4.414 . . 
      1086 .  96 ILE CB   C  41.594 . . 
      1087 .  96 ILE HB   H   1.465 . . 
      1088 .  96 ILE CG1  C  28.517 . . 
      1089 .  96 ILE HG13 H   1.218 . . 
      1090 .  96 ILE HG12 H   1.548 . . 
      1091 .  96 ILE CD1  C  14.594 . . 
      1092 .  96 ILE HD1  H   1.050 . . 
      1093 .  96 ILE CG2  C  17.542 . . 
      1094 .  96 ILE HG2  H   0.714 . . 
      1095 .  96 ILE C    C 170.000 . . 
      1096 .  97 PRO N    N 131.722 . . 
      1097 .  97 PRO CA   C  62.393 . . 
      1098 .  97 PRO HA   H   4.223 . . 
      1099 .  97 PRO CB   C  31.683 . . 
      1100 .  97 PRO HB3  H   1.423 . . 
      1101 .  97 PRO HB2  H   1.753 . . 
      1102 .  97 PRO CG   C  28.357 . . 
      1103 .  97 PRO HG3  H   1.864 . . 
      1104 .  97 PRO HG2  H   1.864 . . 
      1105 .  97 PRO CD   C  51.145 . . 
      1106 .  97 PRO HD3  H   3.346 . . 
      1107 .  97 PRO HD2  H   3.695 . . 
      1108 .  97 PRO C    C 175.710 . . 
      1109 .  98 LEU N    N 118.422 . . 
      1110 .  98 LEU H    H   7.562 . . 
      1111 .  98 LEU CA   C  55.031 . . 
      1112 .  98 LEU HA   H   3.622 . . 
      1113 .  98 LEU CB   C  38.411 . . 
      1114 .  98 LEU HB3  H   0.981 . . 
      1115 .  98 LEU HB2  H  -0.005 . . 
      1116 .  98 LEU CG   C  24.894 . . 
      1117 .  98 LEU HG   H   1.403 . . 
      1118 .  98 LEU CD1  C  26.491 . . 
      1119 .  98 LEU HD1  H   0.347 . . 
      1120 .  98 LEU CD2  C  21.869 . . 
      1121 .  98 LEU HD2  H   0.328 . . 
      1122 .  98 LEU C    C 176.979 . . 
      1123 .  99 GLN N    N 123.161 . . 
      1124 .  99 GLN H    H   8.580 . . 
      1125 .  99 GLN CA   C  57.399 . . 
      1126 .  99 GLN HA   H   4.419 . . 
      1127 .  99 GLN CB   C  34.135 . . 
      1128 .  99 GLN HB3  H   1.542 . . 
      1129 .  99 GLN HB2  H   1.414 . . 
      1130 .  99 GLN CG   C  34.023 . . 
      1131 .  99 GLN HG3  H   2.016 . . 
      1132 .  99 GLN HG2  H   1.768 . . 
      1133 .  99 GLN NE2  N 110.012 . . 
      1134 .  99 GLN HE21 H   7.183 . . 
      1135 .  99 GLN HE22 H   6.792 . . 
      1136 .  99 GLN C    C 174.635 . . 
      1137 . 100 TYR N    N 118.841 . . 
      1138 . 100 TYR H    H   7.753 . . 
      1139 . 100 TYR CA   C  54.309 . . 
      1140 . 100 TYR HA   H   5.330 . . 
      1141 . 100 TYR CB   C  39.812 . . 
      1142 . 100 TYR HB3  H   3.068 . . 
      1143 . 100 TYR HB2  H   2.837 . . 
      1144 . 100 TYR CD1  C 133.709 . . 
      1145 . 100 TYR HD1  H   6.984 . . 
      1146 . 100 TYR CE1  C 118.276 . . 
      1147 . 100 TYR HE1  H   6.860 . . 
      1148 . 100 TYR CE2  C 118.276 . . 
      1149 . 100 TYR HE2  H   6.860 . . 
      1150 . 100 TYR CD2  C 133.709 . . 
      1151 . 100 TYR HD2  H   7.065 . . 
      1152 . 100 TYR C    C 171.342 . . 
      1153 . 101 PRO N    N 112.593 . . 
      1154 . 101 PRO CA   C  62.539 . . 
      1155 . 101 PRO HA   H   3.014 . . 
      1156 . 101 PRO CB   C  32.715 . . 
      1157 . 101 PRO HB3  H   1.528 . . 
      1158 . 101 PRO HB2  H   1.830 . . 
      1159 . 101 PRO CG   C  26.705 . . 
      1160 . 101 PRO HG3  H   2.016 . . 
      1161 . 101 PRO HG2  H   2.149 . . 
      1162 . 101 PRO CD   C  50.781 . . 
      1163 . 101 PRO HD3  H   3.741 . . 
      1164 . 101 PRO HD2  H   4.007 . . 
      1165 . 101 PRO C    C 176.691 . . 
      1166 . 102 VAL N    N 126.437 . . 
      1167 . 102 VAL H    H   8.214 . . 
      1168 . 102 VAL CA   C  62.089 . . 
      1169 . 102 VAL HA   H   4.130 . . 
      1170 . 102 VAL CB   C  30.315 . . 
      1171 . 102 VAL HB   H   1.970 . . 
      1172 . 102 VAL CG2  C  22.445 . . 
      1173 . 102 VAL HG2  H   0.948 . . 
      1174 . 102 VAL CG1  C  21.237 . . 
      1175 . 102 VAL HG1  H   0.792 . . 
      1176 . 102 VAL C    C 175.339 . . 
      1177 . 103 GLU N    N 126.156 . . 
      1178 . 103 GLU H    H   8.390 . . 
      1179 . 103 GLU CA   C  56.112 . . 
      1180 . 103 GLU HA   H   4.075 . . 
      1181 . 103 GLU CB   C  30.666 . . 
      1182 . 103 GLU HB3  H   1.790 . . 
      1183 . 103 GLU HB2  H   1.790 . . 
      1184 . 103 GLU CG   C  37.302 . . 
      1185 . 103 GLU HG3  H   1.777 . . 
      1186 . 103 GLU HG2  H   2.150 . . 
      1187 . 103 GLU C    C 176.102 . . 
      1188 . 104 LYS N    N 123.005 . . 
      1189 . 104 LYS H    H   7.863 . . 
      1190 . 104 LYS CA   C  56.442 . . 
      1191 . 104 LYS HA   H   3.667 . . 
      1192 . 104 LYS CB   C  32.148 . . 
      1193 . 104 LYS HB3  H   0.734 . . 
      1194 . 104 LYS HB2  H   1.352 . . 
      1195 . 104 LYS CG   C  24.326 . . 
      1196 . 104 LYS HG3  H   1.140 . . 
      1197 . 104 LYS HG2  H   1.104 . . 
      1198 . 104 LYS CD   C  29.223 . . 
      1199 . 104 LYS HD3  H   1.554 . . 
      1200 . 104 LYS HD2  H   1.464 . . 
      1201 . 104 LYS CE   C  42.128 . . 
      1202 . 104 LYS HE3  H   2.886 . . 
      1203 . 104 LYS HE2  H   2.886 . . 
      1204 . 104 LYS C    C 175.770 . . 
      1205 . 105 LYS N    N 126.340 . . 
      1206 . 105 LYS H    H   8.514 . . 
      1207 . 105 LYS CA   C  55.853 . . 
      1208 . 105 LYS HA   H   4.362 . . 
      1209 . 105 LYS CB   C  33.204 . . 
      1210 . 105 LYS HB3  H   1.732 . . 
      1211 . 105 LYS HB2  H   1.828 . . 
      1212 . 105 LYS CG   C  24.764 . . 
      1213 . 105 LYS HG3  H   1.408 . . 
      1214 . 105 LYS HG2  H   1.408 . . 
      1215 . 105 LYS CD   C  28.913 . . 
      1216 . 105 LYS HD3  H   1.660 . . 
      1217 . 105 LYS HD2  H   1.660 . . 
      1218 . 105 LYS CE   C  42.151 . . 
      1219 . 105 LYS HE3  H   2.984 . . 
      1220 . 105 LYS HE2  H   2.984 . . 
      1221 . 105 LYS C    C 176.224 . . 
      1222 . 106 SER N    N 117.934 . . 
      1223 . 106 SER H    H   8.383 . . 
      1224 . 106 SER CA   C  58.058 . . 
      1225 . 106 SER HA   H   4.449 . . 
      1226 . 106 SER CB   C  63.712 . . 
      1227 . 106 SER HB3  H   3.864 . . 
      1228 . 106 SER HB2  H   3.864 . . 
      1229 . 106 SER C    C 174.272 . . 
      1230 . 107 SER N    N 118.044 . . 
      1231 . 107 SER H    H   8.315 . . 
      1232 . 107 SER CA   C  57.982 . . 
      1233 . 107 SER HA   H   4.468 . . 
      1234 . 107 SER CB   C  63.739 . . 
      1235 . 107 SER HB3  H   3.879 . . 
      1236 . 107 SER HB2  H   3.879 . . 
      1237 . 107 SER C    C 173.699 . . 
      1238 . 108 ALA N    N 126.653 . . 
      1239 . 108 ALA H    H   8.239 . . 
      1240 . 108 ALA CA   C  52.540 . . 
      1241 . 108 ALA HA   H   4.334 . . 
      1242 . 108 ALA CB   C  19.074 . . 
      1243 . 108 ALA HB   H   1.385 . . 
      1244 . 108 ALA C    C 176.357 . . 
      1245 . 109 ARG N    N 125.474 . . 
      1246 . 109 ARG H    H   7.857 . . 
      1247 . 109 ARG CA   C  57.072 . . 
      1248 . 109 ARG HA   H   4.153 . . 
      1249 . 109 ARG CB   C  31.326 . . 
      1250 . 109 ARG HB3  H   1.845 . . 
      1251 . 109 ARG HB2  H   1.709 . . 
      1252 . 109 ARG CG   C  26.980 . . 
      1253 . 109 ARG HG3  H   1.595 . . 
      1254 . 109 ARG HG2  H   1.595 . . 
      1255 . 109 ARG CD   C  43.379 . . 
      1256 . 109 ARG HD3  H   3.200 . . 
      1257 . 109 ARG HD2  H   3.200 . . 
      1258 . 109 ARG C    C 180.661 . . 
      1259 . 110 SER N    N 126.701 . . 
      1260 . 113 GLY CA   C  45.087 . . 
      1261 . 113 GLY HA3  H   4.047 . . 
      1262 . 113 GLY HA2  H   4.047 . . 
      1263 . 113 GLY C    C 174.050 . . 
      1264 . 114 THR N    N 113.782 . . 
      1265 . 114 THR H    H   8.161 . . 
      1266 . 114 THR CA   C  61.575 . . 
      1267 . 114 THR HA   H   4.456 . . 
      1268 . 114 THR CB   C  69.610 . . 
      1269 . 114 THR HB   H   4.279 . . 
      1270 . 114 THR CG2  C  21.448 . . 
      1271 . 114 THR HG2  H   1.203 . . 
      1272 . 114 THR C    C 174.726 . . 
      1273 . 115 THR N    N 116.195 . . 
      1274 . 115 THR H    H   8.221 . . 
      1275 . 115 THR CA   C  61.861 . . 
      1276 . 115 THR HA   H   4.394 . . 
      1277 . 115 THR CB   C  69.656 . . 
      1278 . 115 THR HB   H   4.256 . . 
      1279 . 115 THR CG2  C  21.442 . . 
      1280 . 115 THR HG2  H   1.221 . . 
      1281 . 115 THR C    C 174.755 . . 
      1282 . 116 GLY N    N 111.633 . . 
      1283 . 116 GLY H    H   8.401 . . 
      1284 . 116 GLY CA   C  45.051 . . 
      1285 . 116 GLY HA3  H   3.976 . . 
      1286 . 116 GLY HA2  H   3.976 . . 
      1287 . 116 GLY C    C 173.568 . . 
      1288 . 117 ILE N    N 120.498 . . 
      1289 . 117 ILE H    H   7.960 . . 
      1290 . 117 ILE CA   C  60.801 . . 
      1291 . 117 ILE HA   H   4.171 . . 
      1292 . 117 ILE CB   C  38.594 . . 
      1293 . 117 ILE HB   H   1.834 . . 
      1294 . 117 ILE CG1  C  27.175 . . 
      1295 . 117 ILE HG13 H   1.164 . . 
      1296 . 117 ILE HG12 H   1.433 . . 
      1297 . 117 ILE CD1  C  12.500 . . 
      1298 . 117 ILE HD1  H   0.846 . . 
      1299 . 117 ILE CG2  C  17.395 . . 
      1300 . 117 ILE HG2  H   0.888 . . 
      1301 . 117 ILE C    C 175.806 . . 
      1302 . 118 ARG N    N 125.767 . . 
      1303 . 118 ARG H    H   8.394 . . 
      1304 . 118 ARG CA   C  55.698 . . 
      1305 . 118 ARG HA   H   4.365 . . 
      1306 . 118 ARG CB   C  30.748 . . 
      1307 . 118 ARG HB3  H   1.801 . . 
      1308 . 118 ARG HB2  H   1.801 . . 
      1309 . 118 ARG CG   C  26.868 . . 
      1310 . 118 ARG HG3  H   1.614 . . 
      1311 . 118 ARG HG2  H   1.614 . . 
      1312 . 118 ARG CD   C  43.170 . . 
      1313 . 118 ARG HD3  H   3.207 . . 
      1314 . 118 ARG HD2  H   3.207 . . 
      1315 . 118 ARG C    C 175.548 . . 
      1316 . 119 GLU N    N 123.428 . . 
      1317 . 119 GLU H    H   8.467 . . 
      1318 . 119 GLU CA   C  55.997 . . 
      1319 . 119 GLU HA   H   4.292 . . 
      1320 . 119 GLU CB   C  30.321 . . 
      1321 . 119 GLU HB3  H   2.019 . . 
      1322 . 119 GLU HB2  H   1.893 . . 
      1323 . 119 GLU CG   C  36.112 . . 
      1324 . 119 GLU HG3  H   2.226 . . 
      1325 . 119 GLU HG2  H   2.226 . . 
      1326 . 119 GLU C    C 175.356 . . 
      1327 . 120 ASP N    N 123.481 . . 
      1328 . 120 ASP H    H   8.380 . . 
      1329 . 120 ASP CA   C  52.018 . . 
      1330 . 120 ASP HA   H   4.870 . . 
      1331 . 120 ASP CB   C  40.984 . . 
      1332 . 120 ASP HB3  H   2.771 . . 
      1333 . 120 ASP HB2  H   2.508 . . 
      1334 . 120 ASP C    C 174.241 . . 
      1335 . 121 PRO N    N 110.325 . . 
      1336 . 121 PRO CA   C  63.263 . . 
      1337 . 121 PRO HA   H   4.441 . . 
      1338 . 121 PRO CB   C  31.967 . . 
      1339 . 121 PRO HB3  H   1.959 . . 
      1340 . 121 PRO HB2  H   2.297 . . 
      1341 . 121 PRO CG   C  27.041 . . 
      1342 . 121 PRO HG3  H   2.022 . . 
      1343 . 121 PRO HG2  H   2.022 . . 
      1344 . 121 PRO CD   C  50.532 . . 
      1345 . 121 PRO HD3  H   3.848 . . 
      1346 . 121 PRO HD2  H   3.776 . . 
      1347 . 121 PRO C    C 176.464 . . 
      1348 . 122 ASP N    N 120.098 . . 
      1349 . 122 ASP H    H   8.396 . . 
      1350 . 122 ASP CA   C  54.436 . . 
      1351 . 122 ASP HA   H   4.591 . . 
      1352 . 122 ASP CB   C  40.797 . . 
      1353 . 122 ASP HB3  H   2.616 . . 
      1354 . 122 ASP HB2  H   2.727 . . 
      1355 . 122 ASP C    C 176.324 . . 
      1356 . 123 VAL N    N 119.767 . . 
      1357 . 123 VAL H    H   7.806 . . 
      1358 . 123 VAL CA   C  62.350 . . 
      1359 . 123 VAL HA   H   4.100 . . 
      1360 . 123 VAL CB   C  32.399 . . 
      1361 . 123 VAL HB   H   2.157 . . 
      1362 . 123 VAL CG2  C  20.711 . . 
      1363 . 123 VAL HG2  H   0.945 . . 
      1364 . 123 VAL CG1  C  20.711 . . 
      1365 . 123 VAL HG1  H   0.945 . . 
      1366 . 123 VAL C    C 175.764 . . 
      1367 . 124 CYS N    N 122.660 . . 
      1368 . 124 CYS H    H   8.317 . . 
      1369 . 124 CYS CA   C  58.460 . . 
      1370 . 124 CYS HA   H   4.462 . . 
      1371 . 124 CYS CB   C  27.518 . . 
      1372 . 124 CYS HB3  H   2.908 . . 
      1373 . 124 CYS HB2  H   2.908 . . 
      1374 . 124 CYS C    C 174.244 . . 
      1375 . 125 LEU N    N 125.302 . . 
      1376 . 125 LEU H    H   8.239 . . 
      1377 . 125 LEU CA   C  55.024 . . 
      1378 . 125 LEU HA   H   4.344 . . 
      1379 . 125 LEU CB   C  42.068 . . 
      1380 . 125 LEU HB3  H   1.616 . . 
      1381 . 125 LEU HB2  H   1.616 . . 
      1382 . 125 LEU CG   C  26.843 . . 
      1383 . 125 LEU HG   H   1.600 . . 
      1384 . 125 LEU CD1  C  24.818 . . 
      1385 . 125 LEU HD1  H   0.924 . . 
      1386 . 125 LEU CD2  C  23.353 . . 
      1387 . 125 LEU HD2  H   0.864 . . 
      1388 . 125 LEU C    C 176.656 . . 
      1389 . 126 LYS N    N 122.860 . . 
      1390 . 126 LYS H    H   8.118 . . 
      1391 . 126 LYS CA   C  55.631 . . 
      1392 . 126 LYS HA   H   4.316 . . 
      1393 . 126 LYS CB   C  33.016 . . 
      1394 . 126 LYS HB3  H   1.722 . . 
      1395 . 126 LYS HB2  H   1.722 . . 
      1396 . 126 LYS CG   C  24.416 . . 
      1397 . 126 LYS HG3  H   1.419 . . 
      1398 . 126 LYS HG2  H   1.419 . . 
      1399 . 126 LYS CD   C  28.942 . . 
      1400 . 126 LYS HD3  H   1.674 . . 
      1401 . 126 LYS HD2  H   1.674 . . 
      1402 . 126 LYS CE   C  42.020 . . 
      1403 . 126 LYS HE3  H   3.004 . . 
      1404 . 126 LYS HE2  H   3.004 . . 
      1405 . 126 LYS C    C 175.270 . . 
      1406 . 127 ALA N    N 128.309 . . 
      1407 . 127 ALA H    H   8.259 . . 
      1408 . 127 ALA CA   C  50.084 . . 
      1409 . 127 ALA HA   H   4.580 . . 
      1410 . 127 ALA CB   C  17.967 . . 
      1411 . 127 ALA HB   H   1.376 . . 
      1412 . 127 ALA C    C 174.317 . . 
      1413 . 128 PRO N    N 114.568 . . 

   stop_

save_


save_chemical_shift_set_2
   _Saveframe_category               assigned_chemical_shifts

   _Details                          .

   loop_
      _Sample_label

      $sample_1 

   stop_

   _Sample_conditions_label         $sample_cond_1
   _Chem_shift_reference_set_label  $chemical_shift_reference
   _Mol_system_component_name       'peptide n-pY'
   _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 ARG HA   H 4.000 . . 
       2 . 1 ARG HB3  H 1.940 . . 
       3 . 1 ARG HB2  H 1.940 . . 
       4 . 1 ARG HG3  H 1.670 . . 
       5 . 1 ARG HG2  H 1.710 . . 
       6 . 1 ARG HD3  H 3.240 . . 
       7 . 1 ARG HD2  H 3.240 . . 
       8 . 2 LYS H    H 7.710 . . 
       9 . 2 LYS HA   H 4.170 . . 
      10 . 2 LYS HB3  H 1.750 . . 
      11 . 2 LYS HB2  H 1.750 . . 
      12 . 2 LYS HG3  H 1.450 . . 
      13 . 2 LYS HG2  H 1.450 . . 
      14 . 2 LYS HD3  H 1.700 . . 
      15 . 2 LYS HD2  H 1.700 . . 
      16 . 2 LYS HE3  H 3.020 . . 
      17 . 2 LYS HE2  H 3.020 . . 
      18 . 3 SER H    H 8.480 . . 
      19 . 3 SER HA   H 4.600 . . 
      20 . 3 SER HB3  H 2.920 . . 
      21 . 3 SER HB2  H 3.110 . . 
      22 . 4 LEU H    H 7.180 . . 
      23 . 4 LEU HA   H 4.580 . . 
      24 . 4 LEU HB3  H 1.395 . . 
      25 . 4 LEU HB2  H 1.715 . . 
      26 . 4 LEU HG   H 1.560 . . 
      27 . 4 LEU HD1  H 0.590 . . 
      28 . 4 LEU HD2  H 0.790 . . 
      29 . 5 THR H    H 7.620 . . 
      30 . 5 THR HA   H 4.610 . . 
      31 . 5 THR HB   H 3.910 . . 
      32 . 5 THR HG2  H 0.740 . . 
      33 . 6 ILE H    H 8.230 . . 
      34 . 6 ILE HA   H 4.060 . . 
      35 . 6 ILE HB   H 0.920 . . 
      36 . 6 ILE HG13 H 0.650 . . 
      37 . 6 ILE HG12 H 1.040 . . 
      38 . 6 ILE HD1  H 0.140 . . 
      39 . 6 ILE HG2  H 0.530 . . 
      40 . 7 PTR H    H 9.060 . . 
      41 . 7 PTR HA   H 4.740 . . 
      42 . 7 PTR HB3  H 2.810 . . 
      43 . 7 PTR HB2  H 2.990 . . 
      44 . 7 PTR HD1  H 7.060 . . 
      45 . 7 PTR HE1  H 7.100 . . 
      46 . 7 PTR HE2  H 7.100 . . 
      47 . 7 PTR HD2  H 7.060 . . 
      48 . 8 ALA H    H 8.080 . . 
      49 . 8 ALA HA   H 4.370 . . 
      50 . 8 ALA HB   H 1.320 . . 

   stop_

save_