data_6508

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

save_entry_information
   _Saveframe_category      entry_information

   _Entry_title            
;
complex structure of PCAF bromodomain with small chemical ligand NP1
;
   _BMRB_accession_number   6508
   _BMRB_flat_file_name     bmr6508.str
   _Entry_type              original
   _Submission_date         2005-02-17
   _Accession_date          2005-02-23
   _Entry_origination       author
   _NMR_STAR_version        2.1.1
   _Experimental_method     NMR
   _Details                 .

   loop_
      _Author_ordinal
      _Author_family_name
      _Author_given_name
      _Author_middle_initials
      _Author_family_title

      1 Zeng    L. .  . 
      2 Li      J. .  . 
      3 Muller  M. .  . 
      4 Yan     S. .  . 
      5 Mujtaba S. .  . 
      6 Pan     C. .  . 
      7 Wang    Z. .  . 
      8 Zhou    M. M. . 

   stop_

   loop_
      _Saveframe_category_type
      _Saveframe_category_type_count

      assigned_chemical_shifts 2 

   stop_

   loop_
      _Data_type
      _Data_type_count

      "1H chemical shifts"  663 
      "13C chemical shifts" 408 
      "15N chemical shifts" 107 

   stop_

   loop_
      _Revision_date
      _Revision_keyword
      _Revision_author
      _Revision_detail

      2005-08-19 original author . 

   stop_

   loop_
      _Related_BMRB_accession_number
      _Relationship

      6507 'PCAF with NP2' 

   stop_

   _Original_release_date   2005-08-19

save_


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

save_entry_citation
   _Saveframe_category           entry_citation

   _Citation_full                .
   _Citation_title              'Selective small molecules blocking HIV-1 Tat and coactivator PCAF association'
   _Citation_status              submitted
   _Citation_type                journal
   _CAS_abstract_code            .
   _MEDLINE_UI_code              .
   _PubMed_ID                    15724976

   loop_
      _Author_ordinal
      _Author_family_name
      _Author_given_name
      _Author_middle_initials
      _Author_family_title

      1 Zeng    L. .  . 
      2 Li      J. .  . 
      3 Muller  M. .  . 
      4 Yan     S. .  . 
      5 Mujtaba S. .  . 
      6 Pan     C. .  . 
      7 Wang    Z. .  . 
      8 Zhou    M. M. . 

   stop_

   _Journal_abbreviation        'J. Am. Chem. Soc.'
   _Journal_volume               127(8)
   _Journal_issue                .
   _Journal_CSD                  .
   _Book_chapter_title           .
   _Book_volume                  .
   _Book_series                  .
   _Book_ISBN                    .
   _Conference_state_province    .
   _Conference_abstract_number   .
   _Page_first                   2376
   _Page_last                    2377
   _Year                         2005
   _Details                      .

   loop_
      _Keyword

       BROMODOMAIN               
      'CHEMICAL LIGAND'          
       HISTONE-ACETYLTRANSFERASE 
       NMR-STRUCTURE             

   stop_

save_


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

save_system
   _Saveframe_category         molecular_system

   _Mol_system_name           'Histone acetylatransferase PCAF (E.C.2.3.1.48)'
   _Abbreviation_common        PCAF
   _Enzyme_commission_number   .

   loop_
      _Mol_system_component_name
      _Mol_label

      'Histone acetylatransferase' $PCAF  
      'CALCIUM (II) ION'           $CA_2+ 
       NP1                         $NP1   

   stop_

   _System_molecular_weight    .
   _System_oligomer_state      monomer
   _System_paramagnetic        no
   _System_thiol_state        'not reported'
   _Database_query_date        .
   _Details                    .

save_


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

save_PCAF
   _Saveframe_category                          monomeric_polymer

   _Mol_type                                    polymer
   _Mol_polymer_class                           protein
   _Name_common                                'Histone acetylatransferase PCAF (E.C.2.3.1.48)'
   _Abbreviation_common                         PCAF
   _Molecular_mass                              .
   _Mol_thiol_state                            'not reported'
   _Details                                     .

   	##############################
   	#  Polymer residue sequence  #
   	##############################
   
      _Residue_count                               118
   _Mol_residue_sequence                       
;
GSHMSKEPRDPDQLYSTLKS
ILQQVKSHQSAWPFMEPVKR
TEAPGYYEVIRFPMDLKTMS
ERLKNRYYVSKKLFMADLQR
VFTNCKEYNPPESEYYKCAN
ILEKFFFSKIKEAGLIDK
;

   loop_
      _Residue_seq_code
      _Residue_label

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

   stop_

   _Sequence_homology_query_date                .
   _Sequence_homology_query_revised_last_date   2015-01-28

   loop_
      _Database_name
      _Database_accession_code
      _Database_entry_mol_name
      _Sequence_query_to_submitted_percentage
      _Sequence_subject_length
      _Sequence_identity
      _Sequence_positive
      _Sequence_homology_expectation_value

      BMRB         4312  brd_monomer                                                                                                                      100.00 118  98.31  98.31 1.63e-79 
      BMRB         6507  PCAF                                                                                                                             100.00 118 100.00 100.00 1.47e-81 
      PDB  1JM4          "Nmr Structure Of PCAF BROMODOMAIN IN COMPLEX WITH HIV-1 Tat Peptide"                                                             100.00 118 100.00 100.00 1.47e-81 
      PDB  1N72          "Structure And Ligand Of A Histone Acetyltransferase Bromodomain"                                                                 100.00 118 100.00 100.00 1.47e-81 
      PDB  1WUG          "Complex Structure Of Pcaf Bromodomain With Small Chemical Ligand Np1"                                                            100.00 118 100.00 100.00 1.47e-81 
      PDB  1WUM          "Complex Structure Of Pcaf Bromodomain With Small Chemical Ligand Np2"                                                            100.00 118 100.00 100.00 1.47e-81 
      PDB  1ZS5          "Structure-Based Evaluation Of Selective And Non-Selective Small Molecules That Block Hiv-1 Tat And Pcaf Association"             100.00 118 100.00 100.00 1.47e-81 
      PDB  2RNW          "The Structural Basis For Site-Specific Lysine-Acetylated Histone Recognition By The Bromodomains Of The Human Transcriptional C" 100.00 118 100.00 100.00 1.47e-81 
      PDB  2RNX          "The Structural Basis For Site-Specific Lysine-Acetylated Histone Recognition By The Bromodomains Of The Human Transcriptional C" 100.00 118 100.00 100.00 1.47e-81 
      PDB  3GG3          "Crystal Structure Of The Bromodomain Of Human Pcaf"                                                                               99.15 119  97.44  97.44 5.84e-78 
      DBJ  BAI45566      "K(lysine) acetyltransferase 2B [synthetic construct]"                                                                            100.00 832  97.46  97.46 4.46e-72 
      GB   AAH60823      "K(lysine) acetyltransferase 2B [Homo sapiens]"                                                                                   100.00 832  97.46  97.46 4.46e-72 
      GB   AAH70075      "K(lysine) acetyltransferase 2B [Homo sapiens]"                                                                                   100.00 832  97.46  97.46 4.46e-72 
      GB   EAW64305      "p300/CBP-associated factor, isoform CRA_a, partial [Homo sapiens]"                                                               100.00 825  97.46  97.46 5.76e-72 
      GB   EHH16790      "hypothetical protein EGK_12137 [Macaca mulatta]"                                                                                 100.00 675  97.46  97.46 1.39e-72 
      GB   EHH51702      "hypothetical protein EGM_11131 [Macaca fascicularis]"                                                                            100.00 675  97.46  97.46 1.39e-72 
      REF  NP_003875     "histone acetyltransferase KAT2B [Homo sapiens]"                                                                                  100.00 832  97.46  97.46 4.46e-72 
      REF  XP_001086807  "PREDICTED: histone acetyltransferase KAT2B-like [Macaca mulatta]"                                                                100.00 858  97.46  97.46 1.24e-71 
      REF  XP_002814059  "PREDICTED: histone acetyltransferase KAT2B-like, partial [Pongo abelii]"                                                         100.00 252  97.46  97.46 1.07e-76 
      REF  XP_003257301  "PREDICTED: histone acetyltransferase KAT2B [Nomascus leucogenys]"                                                                100.00 811  97.46  97.46 3.89e-72 
      REF  XP_003480051  "PREDICTED: histone acetyltransferase KAT2B [Cavia porcellus]"                                                                    100.00 771  97.46  97.46 5.87e-72 
      SP   Q92831        "RecName: Full=Histone acetyltransferase KAT2B; AltName: Full=Histone acetyltransferase PCAF; Short=Histone acetylase PCAF; AltN" 100.00 832  97.46  97.46 4.46e-72 

   stop_

save_


    #############
    #  Ligands  #
    #############

save_CA_2+
   _Saveframe_category             ligand

   _Mol_type                       non-polymer
   _Name_common                   'CALCIUM (II) ION'
   _Abbreviation_common            Ca
   _BMRB_code                      CA_2+
   _PDB_code                       CA
   _Molecular_mass                 .
   _Mol_charge                     2+
   _Mol_paramagnetic               no
   _Mol_aromatic                   no
   _Details                        .

   loop_
      _Atom_name
      _PDB_atom_name
      _Atom_type
      _Atom_chirality
      _Atom_charge
      _Atom_oxidation_number
      _Atom_unpaired_electrons

      CA CA CA . 2+ . ? 

   stop_

   _Mol_thiol_state                .
   _Sequence_homology_query_date   .

save_


save_NP1
   _Saveframe_category             ligand

   _Mol_type                       non-polymer
   _Name_common                   "NP1 (N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE)"
   _BMRB_code                      .
   _PDB_code                       NP1
   _Molecular_mass                 209.245
   _Mol_charge                     0
   _Mol_paramagnetic               .
   _Mol_aromatic                   yes
   _Details                       
;
Information obtained from PDB's Chemical Component Dictionary
at http://wwpdb-remediation.rutgers.edu/downloads.html
Downloaded on Thu Jun  9 15:08:02 2011
;

   loop_
      _Atom_name
      _PDB_atom_name
      _Atom_type
      _Atom_chirality
      _Atom_charge
      _Atom_oxidation_number
      _Atom_unpaired_electrons

      NZ   NZ   N .  0 . ? 
      CA   CA   C .  0 . ? 
      CB   CB   C .  0 . ? 
      CG   CG   C .  0 . ? 
      NE   NE   N .  0 . ? 
      CD   CD   C .  0 . ? 
      CE1  CE1  C .  0 . ? 
      CE2  CE2  C .  0 . ? 
      NO2  NO2  N .  1 . ? 
      OC1  OC1  O .  0 . ? 
      OC2  OC2  O . -1 . ? 
      CR1  CR1  C .  0 . ? 
      CR2  CR2  C .  0 . ? 
      CZ   CZ   C .  0 . ? 
      CM   CM   C .  0 . ? 
      HNZ1 HNZ1 H .  0 . ? 
      HNZ2 HNZ2 H .  0 . ? 
      HA1  HA1  H .  0 . ? 
      HA2  HA2  H .  0 . ? 
      HB1  HB1  H .  0 . ? 
      HB2  HB2  H .  0 . ? 
      HG1  HG1  H .  0 . ? 
      HG2  HG2  H .  0 . ? 
      HNE  HNE  H .  0 . ? 
      HE1  HE1  H .  0 . ? 
      HR1  HR1  H .  0 . ? 
      HR2  HR2  H .  0 . ? 
      HM1  HM1  H .  0 . ? 
      HM2  HM2  H .  0 . ? 
      HM3  HM3  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 NZ  CA   ? ? 
      SING NZ  HNZ1 ? ? 
      SING NZ  HNZ2 ? ? 
      SING CA  CB   ? ? 
      SING CA  HA1  ? ? 
      SING CA  HA2  ? ? 
      SING CB  CG   ? ? 
      SING CB  HB1  ? ? 
      SING CB  HB2  ? ? 
      SING CG  NE   ? ? 
      SING CG  HG1  ? ? 
      SING CG  HG2  ? ? 
      SING NE  CD   ? ? 
      SING NE  HNE  ? ? 
      DOUB CD  CE1  ? ? 
      SING CD  CE2  ? ? 
      SING CE1 CR1  ? ? 
      SING CE1 HE1  ? ? 
      SING CE2 NO2  ? ? 
      DOUB CE2 CR2  ? ? 
      DOUB NO2 OC1  ? ? 
      SING NO2 OC2  ? ? 
      DOUB CR1 CZ   ? ? 
      SING CR1 HR1  ? ? 
      SING CR2 CZ   ? ? 
      SING CR2 HR2  ? ? 
      SING CZ  CM   ? ? 
      SING CM  HM1  ? ? 
      SING CM  HM2  ? ? 
      SING CM  HM3  ? ? 

   stop_

   _Mol_thiol_state                .
   _Sequence_homology_query_date   .

save_


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

save_natural_source
   _Saveframe_category   natural_source


   loop_
      _Mol_label
      _Organism_name_common
      _NCBI_taxonomy_ID
      _Superkingdom
      _Kingdom
      _Genus
      _Species

      $PCAF Human 9606 Eukaryota Metazoa Homon 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

      $PCAF 'recombinant technology' . . . . . 

   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

      $PCAF                0.5 mM . 
      'phosphate buffer' 100   mM . 
       DTT                 5   mM . 
       D2O                10   %  . 

   stop_

save_


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

save_X-PLOR
   _Saveframe_category   software

   _Name                 X-PLOR
   _Version              3.851

   loop_
      _Task

      refinement 

   stop_

   _Details              .

save_


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

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

save_NMR_spectrometer
   _Saveframe_category   NMR_spectrometer

   _Manufacturer         Bruker
   _Model                DRX
   _Field_strength       600
   _Details              .

save_


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

save_3D_15N-separated_NOESY_1
   _Saveframe_category   NMR_applied_experiment

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

save_


save_3D_13C-separated_NOESY_2
   _Saveframe_category   NMR_applied_experiment

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

save_


save_3D_13C_SEPARATED_FILTERED_NOESY_3
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D 13C SEPARATED FILTERED NOESY'
   _Sample_label         .

save_


save_NMR_spec_expt__0_1
   _Saveframe_category                     NMR_applied_experiment

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

save_


save_NMR_spec_expt__0_2
   _Saveframe_category                     NMR_applied_experiment

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

save_


save_NMR_spec_expt__0_3
   _Saveframe_category                     NMR_applied_experiment

   _Experiment_name                       '3D 13C SEPARATED FILTERED NOESY'
   _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            6.5 . pH 
      temperature 303   . K  

   stop_

save_


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

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

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

save_chemical_shift_ref_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 0.0  external indirect . . . 0.25144953 
      H2O H  1  protons         ppm 4.79 internal direct   . . . 1.0        
      DSS N 15 'methyl protons' ppm 0.0  external indirect . . . 0.10132911 

   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_ref_1
   _Mol_system_component_name       'Histone acetylatransferase'
   _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 .   5 SER HA   H   4.451 . . 
         2 .   5 SER HB2  H   3.896 . . 
         3 .   5 SER CA   C  58.274 . . 
         4 .   5 SER CB   C  63.709 . . 
         5 .   6 LYS H    H   8.375 . . 
         6 .   6 LYS HA   H   4.354 . . 
         7 .   6 LYS HB2  H   1.901 . . 
         8 .   6 LYS HB3  H   1.757 . . 
         9 .   6 LYS HG2  H   1.447 . . 
        10 .   6 LYS HG3  H   1.432 . . 
        11 .   6 LYS HD2  H   1.680 . . 
        12 .   6 LYS HE2  H   3.008 . . 
        13 .   6 LYS CA   C  55.787 . . 
        14 .   6 LYS CB   C  32.889 . . 
        15 .   6 LYS CG   C  24.718 . . 
        16 .   6 LYS CD   C  28.968 . . 
        17 .   6 LYS CE   C  41.812 . . 
        18 .   6 LYS N    N 123.159 . . 
        19 .   7 GLU H    H   8.329 . . 
        20 .   7 GLU HA   H   4.570 . . 
        21 .   7 GLU HB2  H   2.062 . . 
        22 .   7 GLU HB3  H   1.920 . . 
        23 .   7 GLU HG2  H   2.303 . . 
        24 .   7 GLU CA   C  54.337 . . 
        25 .   7 GLU CB   C  29.653 . . 
        26 .   7 GLU CG   C  35.919 . . 
        27 .   7 GLU N    N 123.005 . . 
        28 .   8 PRO HA   H   4.449 . . 
        29 .   8 PRO HB2  H   2.279 . . 
        30 .   8 PRO HB3  H   1.895 . . 
        31 .   8 PRO HG2  H   2.040 . . 
        32 .   8 PRO HD2  H   3.857 . . 
        33 .   8 PRO HD3  H   3.713 . . 
        34 .   8 PRO CA   C  63.004 . . 
        35 .   8 PRO CB   C  32.143 . . 
        36 .   8 PRO CG   C  27.414 . . 
        37 .   8 PRO CD   C  50.560 . . 
        38 .   9 ARG H    H   8.463 . . 
        39 .   9 ARG HA   H   4.349 . . 
        40 .   9 ARG HB2  H   1.872 . . 
        41 .   9 ARG HB3  H   1.791 . . 
        42 .   9 ARG HG2  H   1.683 . . 
        43 .   9 ARG HD2  H   3.201 . . 
        44 .   9 ARG CA   C  55.811 . . 
        45 .   9 ARG CB   C  30.898 . . 
        46 .   9 ARG CG   C  27.211 . . 
        47 .   9 ARG CD   C  43.273 . . 
        48 .   9 ARG N    N 120.689 . . 
        49 .  10 ASP H    H   8.263 . . 
        50 .  10 ASP HA   H   4.899 . . 
        51 .  10 ASP HB2  H   2.794 . . 
        52 .  10 ASP HB3  H   2.724 . . 
        53 .  10 ASP CA   C  52.302 . . 
        54 .  10 ASP CB   C  41.351 . . 
        55 .  10 ASP N    N 122.039 . . 
        56 .  11 PRO HA   H   4.361 . . 
        57 .  11 PRO HB2  H   2.341 . . 
        58 .  11 PRO HB3  H   2.084 . . 
        59 .  11 PRO HG2  H   2.098 . . 
        60 .  11 PRO HD2  H   3.897 . . 
        61 .  11 PRO CA   C  64.747 . . 
        62 .  11 PRO CB   C  32.391 . . 
        63 .  11 PRO CG   C  27.470 . . 
        64 .  11 PRO CD   C  50.809 . . 
        65 .  12 ASP H    H   8.411 . . 
        66 .  12 ASP HA   H   4.712 . . 
        67 .  12 ASP HB2  H   2.844 . . 
        68 .  12 ASP HB3  H   2.775 . . 
        69 .  12 ASP CA   C  55.787 . . 
        70 .  12 ASP CB   C  40.853 . . 
        71 .  12 ASP N    N 119.763 . . 
        72 .  13 GLN H    H   8.196 . . 
        73 .  13 GLN HA   H   4.215 . . 
        74 .  13 GLN HB2  H   2.184 . . 
        75 .  13 GLN HG2  H   2.528 . . 
        76 .  13 GLN HG3  H   2.412 . . 
        77 .  13 GLN CA   C  58.276 . . 
        78 .  13 GLN CB   C  28.906 . . 
        79 .  13 GLN CG   C  33.852 . . 
        80 .  13 GLN N    N 121.461 . . 
        81 .  14 LEU H    H   8.197 . . 
        82 .  14 LEU HA   H   4.081 . . 
        83 .  14 LEU HB2  H   1.884 . . 
        84 .  14 LEU HB3  H   1.585 . . 
        85 .  14 LEU HG   H   1.482 . . 
        86 .  14 LEU HD1  H   0.842 . . 
        87 .  14 LEU HD2  H   0.812 . . 
        88 .  14 LEU CA   C  58.275 . . 
        89 .  14 LEU CB   C  41.102 . . 
        90 .  14 LEU CG   C  26.916 . . 
        91 .  14 LEU CD1  C  25.672 . . 
        92 .  14 LEU CD2  C  23.182 . . 
        93 .  14 LEU N    N 121.461 . . 
        94 .  15 TYR H    H   7.996 . . 
        95 .  15 TYR HA   H   4.041 . . 
        96 .  15 TYR HB2  H   3.346 . . 
        97 .  15 TYR HB3  H   3.079 . . 
        98 .  15 TYR HD1  H   7.075 . . 
        99 .  15 TYR HE1  H   6.908 . . 
       100 .  15 TYR CA   C  62.071 . . 
       101 .  15 TYR CB   C  38.561 . . 
       102 .  15 TYR CD1  C 132.883 . . 
       103 .  15 TYR CE1  C 118.389 . . 
       104 .  15 TYR N    N 118.981 . . 
       105 .  16 SER H    H   8.207 . . 
       106 .  16 SER HA   H   4.202 . . 
       107 .  16 SER HB2  H   4.057 . . 
       108 .  16 SER HB3  H   3.943 . . 
       109 .  16 SER CA   C  58.027 . . 
       110 .  16 SER CB   C  62.009 . . 
       111 .  16 SER N    N 112.198 . . 
       112 .  17 THR H    H   8.032 . . 
       113 .  17 THR HA   H   3.959 . . 
       114 .  17 THR HB   H   4.283 . . 
       115 .  17 THR HG2  H   1.170 . . 
       116 .  17 THR CA   C  66.738 . . 
       117 .  17 THR CB   C  68.481 . . 
       118 .  17 THR CG2  C  21.440 . . 
       119 .  17 THR N    N 120.371 . . 
       120 .  18 LEU H    H   8.504 . . 
       121 .  18 LEU HA   H   3.295 . . 
       122 .  18 LEU HB2  H   1.552 . . 
       123 .  18 LEU HB3  H   0.351 . . 
       124 .  18 LEU HG   H   1.698 . . 
       125 .  18 LEU HD1  H   0.512 . . 
       126 .  18 LEU HD2  H  -0.163 . . 
       127 .  18 LEU CA   C  57.778 . . 
       128 .  18 LEU CB   C  39.609 . . 
       129 .  18 LEU CG   C  24.675 . . 
       130 .  18 LEU CD1  C  25.423 . . 
       131 .  18 LEU CD2  C  19.983 . . 
       132 .  18 LEU N    N 120.689 . . 
       133 .  19 LYS H    H   8.572 . . 
       134 .  19 LYS HA   H   3.715 . . 
       135 .  19 LYS HB2  H   1.729 . . 
       136 .  19 LYS HB3  H   1.398 . . 
       137 .  19 LYS HG2  H   1.283 . . 
       138 .  19 LYS HD2  H   1.648 . . 
       139 .  19 LYS HE2  H   2.958 . . 
       140 .  19 LYS CA   C  59.898 . . 
       141 .  19 LYS CB   C  32.391 . . 
       142 .  19 LYS CG   C  24.676 . . 
       143 .  19 LYS CD   C  29.654 . . 
       144 .  19 LYS CE   C  41.850 . . 
       145 .  19 LYS N    N 118.682 . . 
       146 .  20 SER H    H   7.550 . . 
       147 .  20 SER HA   H   4.318 . . 
       148 .  20 SER HB2  H   4.084 . . 
       149 .  20 SER CA   C  61.263 . . 
       150 .  20 SER CB   C  62.759 . . 
       151 .  20 SER N    N 113.278 . . 
       152 .  21 ILE H    H   7.950 . . 
       153 .  21 ILE HA   H   3.790 . . 
       154 .  21 ILE HB   H   1.937 . . 
       155 .  21 ILE HG12 H   1.765 . . 
       156 .  21 ILE HG13 H   1.066 . . 
       157 .  21 ILE HG2  H   1.015 . . 
       158 .  21 ILE HD1  H   0.645 . . 
       159 .  21 ILE CA   C  65.244 . . 
       160 .  21 ILE CB   C  37.547 . . 
       161 .  21 ILE CG1  C  28.409 . . 
       162 .  21 ILE CG2  C  17.299 . . 
       163 .  21 ILE CD1  C  13.476 . . 
       164 .  21 ILE N    N 120.689 . . 
       165 .  22 LEU H    H   8.834 . . 
       166 .  22 LEU HA   H   4.150 . . 
       167 .  22 LEU HB2  H   2.134 . . 
       168 .  22 LEU HB3  H   1.725 . . 
       169 .  22 LEU HG   H   1.793 . . 
       170 .  22 LEU HD1  H   1.108 . . 
       171 .  22 LEU HD2  H   1.050 . . 
       172 .  22 LEU CA   C  58.320 . . 
       173 .  22 LEU CB   C  41.674 . . 
       174 .  22 LEU CG   C  27.414 . . 
       175 .  22 LEU CD1  C  26.418 . . 
       176 .  22 LEU CD2  C  23.776 . . 
       177 .  22 LEU N    N 120.072 . . 
       178 .  23 GLN H    H   8.535 . . 
       179 .  23 GLN HA   H   4.064 . . 
       180 .  23 GLN HB2  H   2.367 . . 
       181 .  23 GLN HB3  H   2.270 . . 
       182 .  23 GLN HG2  H   2.568 . . 
       183 .  23 GLN HG3  H   2.487 . . 
       184 .  23 GLN CA   C  59.520 . . 
       185 .  23 GLN CB   C  28.160 . . 
       186 .  23 GLN CG   C  33.884 . . 
       187 .  23 GLN N    N 117.293 . . 
       188 .  24 GLN H    H   8.028 . . 
       189 .  24 GLN HA   H   4.212 . . 
       190 .  24 GLN HB2  H   2.510 . . 
       191 .  24 GLN HB3  H   2.400 . . 
       192 .  24 GLN HG2  H   2.867 . . 
       193 .  24 GLN HG3  H   2.491 . . 
       194 .  24 GLN HE21 H   7.044 . . 
       195 .  24 GLN HE22 H   6.893 . . 
       196 .  24 GLN CA   C  59.520 . . 
       197 .  24 GLN CB   C  29.654 . . 
       198 .  24 GLN CG   C  35.378 . . 
       199 .  24 GLN CD   C 180.060 . . 
       200 .  24 GLN N    N 118.836 . . 
       201 .  24 GLN NE2  N 110.317 . . 
       202 .  25 VAL H    H   8.536 . . 
       203 .  25 VAL HA   H   3.869 . . 
       204 .  25 VAL HB   H   2.439 . . 
       205 .  25 VAL HG1  H   1.239 . . 
       206 .  25 VAL HG2  H   1.086 . . 
       207 .  25 VAL CA   C  67.236 . . 
       208 .  25 VAL CB   C  31.644 . . 
       209 .  25 VAL CG1  C  23.033 . . 
       210 .  25 VAL CG2  C  22.187 . . 
       211 .  25 VAL N    N 119.763 . . 
       212 .  26 LYS H    H   8.580 . . 
       213 .  26 LYS HA   H   3.949 . . 
       214 .  26 LYS HB2  H   1.909 . . 
       215 .  26 LYS HG2  H   1.532 . . 
       216 .  26 LYS HD2  H   1.839 . . 
       217 .  26 LYS HE2  H   2.886 . . 
       218 .  26 LYS CA   C  59.507 . . 
       219 .  26 LYS CB   C  32.889 . . 
       220 .  26 LYS CG   C  26.885 . . 
       221 .  26 LYS CD   C  31.147 . . 
       222 .  26 LYS CE   C  40.854 . . 
       223 .  26 LYS N    N 114.668 . . 
       224 .  27 SER H    H   7.568 . . 
       225 .  27 SER HA   H   4.479 . . 
       226 .  27 SER HB2  H   4.043 . . 
       227 .  27 SER CA   C  58.713 . . 
       228 .  27 SER CB   C  63.955 . . 
       229 .  27 SER N    N 110.654 . . 
       230 .  28 HIS H    H   7.572 . . 
       231 .  28 HIS HA   H   4.011 . . 
       232 .  28 HIS HB2  H   3.027 . . 
       233 .  28 HIS HB3  H   2.809 . . 
       234 .  28 HIS HD2  H   5.016 . . 
       235 .  28 HIS HE1  H   7.597 . . 
       236 .  28 HIS CA   C  58.276 . . 
       237 .  28 HIS CB   C  32.251 . . 
       238 .  28 HIS CD2  C 117.147 . . 
       239 .  28 HIS CE1  C 137.645 . . 
       240 .  28 HIS N    N 125.630 . . 
       241 .  29 GLN H    H   8.624 . . 
       242 .  29 GLN HA   H   4.217 . . 
       243 .  29 GLN HB2  H   2.125 . . 
       244 .  29 GLN HG2  H   2.505 . . 
       245 .  29 GLN HG3  H   2.412 . . 
       246 .  29 GLN HE21 H   7.583 . . 
       247 .  29 GLN HE22 H   6.884 . . 
       248 .  29 GLN CA   C  59.023 . . 
       249 .  29 GLN CB   C  28.409 . . 
       250 .  29 GLN CG   C  33.635 . . 
       251 .  29 GLN N    N 129.026 . . 
       252 .  29 GLN NE2  N 112.217 . . 
       253 .  30 SER H    H   0.079 . . 
       254 .  30 SER HA   H   4.821 . . 
       255 .  30 SER HB2  H   4.338 . . 
       256 .  30 SER HB3  H   3.975 . . 
       257 .  30 SER CA   C  60.018 . . 
       258 .  30 SER CB   C  63.503 . . 
       259 .  30 SER N    N 118.991 . . 
       260 .  31 ALA H    H   7.934 . . 
       261 .  31 ALA HA   H   4.428 . . 
       262 .  31 ALA HB   H   1.764 . . 
       263 .  31 ALA CA   C  53.233 . . 
       264 .  31 ALA CB   C  20.014 . . 
       265 .  31 ALA N    N 117.756 . . 
       266 .  32 TRP H    H   7.087 . . 
       267 .  32 TRP HA   H   4.438 . . 
       268 .  32 TRP HB2  H   3.656 . . 
       269 .  32 TRP HB3  H   3.419 . . 
       270 .  32 TRP HD1  H   7.875 . . 
       271 .  32 TRP HE1  H  10.414 . . 
       272 .  32 TRP HE3  H   7.382 . . 
       273 .  32 TRP HZ2  H   7.272 . . 
       274 .  32 TRP HZ3  H   7.185 . . 
       275 .  32 TRP HH2  H   7.127 . . 
       276 .  32 TRP CA   C  60.516 . . 
       277 .  32 TRP CB   C  27.912 . . 
       278 .  32 TRP CD1  C 127.292 . . 
       279 .  32 TRP CE3  C 121.081 . . 
       280 .  32 TRP CZ2  C 114.662 . . 
       281 .  32 TRP CZ3  C 121.288 . . 
       282 .  32 TRP CH2  C 124.808 . . 
       283 .  32 TRP N    N 116.521 . . 
       284 .  33 PRO HA   H   3.986 . . 
       285 .  33 PRO HB2  H   1.044 . . 
       286 .  33 PRO HB3  H  -0.094 . . 
       287 .  33 PRO HG2  H   0.285 . . 
       288 .  33 PRO HG3  H  -0.709 . . 
       289 .  33 PRO HD2  H   2.265 . . 
       290 .  33 PRO HD3  H   1.633 . . 
       291 .  33 PRO CA   C  64.498 . . 
       292 .  33 PRO CB   C  30.152 . . 
       293 .  33 PRO CG   C  25.671 . . 
       294 .  33 PRO CD   C  50.062 . . 
       295 .  34 PHE H    H   7.584 . . 
       296 .  34 PHE HA   H   5.214 . . 
       297 .  34 PHE HB2  H   3.582 . . 
       298 .  34 PHE HB3  H   2.640 . . 
       299 .  34 PHE HD1  H   7.243 . . 
       300 .  34 PHE HE1  H   7.194 . . 
       301 .  34 PHE HZ   H   7.290 . . 
       302 .  34 PHE CA   C  55.777 . . 
       303 .  34 PHE CB   C  39.111 . . 
       304 .  34 PHE CD1  C 132.025 . . 
       305 .  34 PHE N    N 112.352 . . 
       306 .  35 MET H    H   7.306 . . 
       307 .  35 MET HA   H   4.371 . . 
       308 .  35 MET HB2  H   2.288 . . 
       309 .  35 MET HB3  H   2.231 . . 
       310 .  35 MET HG2  H   2.902 . . 
       311 .  35 MET HE   H   2.213 . . 
       312 .  35 MET CA   C  57.031 . . 
       313 .  35 MET CB   C  32.143 . . 
       314 .  35 MET CG   C  33.138 . . 
       315 .  35 MET CE   C  16.711 . . 
       316 .  35 MET N    N 117.910 . . 
       317 .  36 GLU H    H   7.635 . . 
       318 .  36 GLU HA   H   4.809 . . 
       319 .  36 GLU HB2  H   2.142 . . 
       320 .  36 GLU HB3  H   1.771 . . 
       321 .  36 GLU HG2  H   2.216 . . 
       322 .  36 GLU CA   C  53.298 . . 
       323 .  36 GLU CB   C  31.396 . . 
       324 .  36 GLU CG   C  35.876 . . 
       325 .  36 GLU N    N 113.278 . . 
       326 .  37 PRO HA   H   4.253 . . 
       327 .  37 PRO HB2  H   2.338 . . 
       328 .  37 PRO HB3  H   1.631 . . 
       329 .  37 PRO HG2  H   2.169 . . 
       330 .  37 PRO HG3  H   1.977 . . 
       331 .  37 PRO HD2  H   3.683 . . 
       332 .  37 PRO CA   C  62.756 . . 
       333 .  37 PRO CB   C  31.894 . . 
       334 .  37 PRO CG   C  27.164 . . 
       335 .  37 PRO CD   C  50.560 . . 
       336 .  38 VAL H    H   8.335 . . 
       337 .  38 VAL HA   H   3.257 . . 
       338 .  38 VAL HB   H   0.852 . . 
       339 .  38 VAL HG1  H   0.151 . . 
       340 .  38 VAL HG2  H  -0.371 . . 
       341 .  38 VAL CA   C  63.751 . . 
       342 .  38 VAL CB   C  32.143 . . 
       343 .  38 VAL CG1  C  21.690 . . 
       344 .  38 VAL CG2  C  21.441 . . 
       345 .  38 VAL N    N 125.475 . . 
       346 .  39 LYS H    H   9.725 . . 
       347 .  39 LYS HA   H   4.513 . . 
       348 .  39 LYS HB2  H   1.975 . . 
       349 .  39 LYS HB3  H   1.543 . . 
       350 .  39 LYS HG2  H   1.467 . . 
       351 .  39 LYS HG3  H   1.417 . . 
       352 .  39 LYS HD2  H   1.751 . . 
       353 .  39 LYS HD3  H   1.573 . . 
       354 .  39 LYS HE2  H   2.966 . . 
       355 .  39 LYS HE3  H   2.965 . . 
       356 .  39 LYS CA   C  55.787 . . 
       357 .  39 LYS CB   C  33.636 . . 
       358 .  39 LYS CG   C  25.447 . . 
       359 .  39 LYS CD   C  29.156 . . 
       360 .  39 LYS CE   C  40.605 . . 
       361 .  39 LYS N    N 110.808 . . 
       362 .  40 ARG H    H   8.094 . . 
       363 .  40 ARG HA   H   3.722 . . 
       364 .  40 ARG HB2  H   1.935 . . 
       365 .  40 ARG HB3  H   1.816 . . 
       366 .  40 ARG HG2  H   1.465 . . 
       367 .  40 ARG HG3  H   1.322 . . 
       368 .  40 ARG CB   C  29.654 . . 
       369 .  40 ARG N    N 120.844 . . 
       370 .  41 THR HA   H   4.061 . . 
       371 .  41 THR HB   H   4.316 . . 
       372 .  41 THR HG2  H   1.274 . . 
       373 .  41 THR CA   C  63.004 . . 
       374 .  41 THR CB   C  68.480 . . 
       375 .  41 THR CG2  C  22.436 . . 
       376 .  42 GLU H    H   7.185 . . 
       377 .  42 GLU HA   H   4.616 . . 
       378 .  42 GLU HB2  H   2.389 . . 
       379 .  42 GLU HB3  H   1.880 . . 
       380 .  42 GLU HG2  H   2.585 . . 
       381 .  42 GLU HG3  H   2.060 . . 
       382 .  42 GLU CA   C  55.787 . . 
       383 .  42 GLU CB   C  30.898 . . 
       384 .  42 GLU CG   C  35.378 . . 
       385 .  42 GLU N    N 118.528 . . 
       386 .  43 ALA H    H   6.803 . . 
       387 .  43 ALA HA   H   4.921 . . 
       388 .  43 ALA HB   H   0.735 . . 
       389 .  43 ALA CA   C  49.565 . . 
       390 .  43 ALA CB   C  20.196 . . 
       391 .  43 ALA N    N 121.461 . . 
       392 .  44 PRO HA   H   4.525 . . 
       393 .  44 PRO HB2  H   2.392 . . 
       394 .  44 PRO HB3  H   2.061 . . 
       395 .  44 PRO HG2  H   2.228 . . 
       396 .  44 PRO HG3  H   2.074 . . 
       397 .  44 PRO HD2  H   3.765 . . 
       398 .  44 PRO HD3  H   3.598 . . 
       399 .  44 PRO CA   C  64.249 . . 
       400 .  44 PRO CB   C  31.645 . . 
       401 .  44 PRO CG   C  27.663 . . 
       402 .  44 PRO CD   C  50.311 . . 
       403 .  45 GLY HA2  H   3.881 . . 
       404 .  45 GLY CA   C  43.343 . . 
       405 .  46 TYR H    H   8.054 . . 
       406 .  46 TYR HA   H   3.421 . . 
       407 .  46 TYR HB2  H   2.701 . . 
       408 .  46 TYR HB3  H   2.289 . . 
       409 .  46 TYR HD1  H   4.915 . . 
       410 .  46 TYR HE1  H   5.998 . . 
       411 .  46 TYR CA   C  62.756 . . 
       412 .  46 TYR CB   C  39.609 . . 
       413 .  46 TYR CD1  C 132.676 . . 
       414 .  46 TYR CE1  C 116.733 . . 
       415 .  46 TYR N    N 122.696 . . 
       416 .  47 TYR H    H   8.583 . . 
       417 .  47 TYR HA   H   4.189 . . 
       418 .  47 TYR HB2  H   3.229 . . 
       419 .  47 TYR HB3  H   2.801 . . 
       420 .  47 TYR HD1  H   7.340 . . 
       421 .  47 TYR HE1  H   6.624 . . 
       422 .  47 TYR CA   C  60.516 . . 
       423 .  47 TYR CB   C  36.871 . . 
       424 .  47 TYR CD1  C 133.090 . . 
       425 .  47 TYR CE1  C 117.354 . . 
       426 .  47 TYR N    N 112.661 . . 
       427 .  48 GLU H    H   7.688 . . 
       428 .  48 GLU HA   H   4.251 . . 
       429 .  48 GLU HB2  H   2.180 . . 
       430 .  48 GLU HB3  H   2.112 . . 
       431 .  48 GLU HG2  H   2.384 . . 
       432 .  48 GLU HG3  H   2.233 . . 
       433 .  48 GLU CA   C  57.778 . . 
       434 .  48 GLU CB   C  31.147 . . 
       435 .  48 GLU CG   C  37.120 . . 
       436 .  48 GLU N    N 118.064 . . 
       437 .  49 VAL H    H   7.135 . . 
       438 .  49 VAL HA   H   4.077 . . 
       439 .  49 VAL HB   H   2.021 . . 
       440 .  49 VAL HG1  H   0.985 . . 
       441 .  49 VAL HG2  H   1.068 . . 
       442 .  49 VAL CA   C  63.004 . . 
       443 .  49 VAL CB   C  33.636 . . 
       444 .  49 VAL CG1  C  20.943 . . 
       445 .  49 VAL CG2  C  20.694 . . 
       446 .  49 VAL N    N 115.594 . . 
       447 .  50 ILE H    H   8.103 . . 
       448 .  50 ILE HA   H   3.933 . . 
       449 .  50 ILE HB   H   1.296 . . 
       450 .  50 ILE HG12 H   0.810 . . 
       451 .  50 ILE HG13 H   0.071 . . 
       452 .  50 ILE HG2  H   0.393 . . 
       453 .  50 ILE HD1  H   0.553 . . 
       454 .  50 ILE CA   C  57.280 . . 
       455 .  50 ILE CB   C  34.133 . . 
       456 .  50 ILE CG1  C  24.427 . . 
       457 .  50 ILE CG2  C  16.175 . . 
       458 .  50 ILE CD1  C   9.245 . . 
       459 .  50 ILE N    N 122.542 . . 
       460 .  51 ARG H    H   7.693 . . 
       461 .  51 ARG HA   H   3.902 . . 
       462 .  51 ARG HB2  H   1.364 . . 
       463 .  51 ARG HB3  H   1.187 . . 
       464 .  51 ARG HG2  H   1.335 . . 
       465 .  51 ARG HG3  H   1.198 . . 
       466 .  51 ARG HD2  H   3.007 . . 
       467 .  51 ARG CA   C  57.031 . . 
       468 .  51 ARG CB   C  30.401 . . 
       469 .  51 ARG CG   C  26.916 . . 
       470 .  51 ARG CD   C  42.596 . . 
       471 .  51 ARG N    N 125.321 . . 
       472 .  52 PHE H    H   8.445 . . 
       473 .  52 PHE HA   H   5.030 . . 
       474 .  52 PHE HB2  H   3.071 . . 
       475 .  52 PHE HB3  H   2.953 . . 
       476 .  52 PHE HD1  H   7.278 . . 
       477 .  52 PHE HE1  H   7.255 . . 
       478 .  52 PHE HZ   H   7.327 . . 
       479 .  52 PHE CA   C  54.294 . . 
       480 .  52 PHE CB   C  38.499 . . 
       481 .  52 PHE CD1  C 132.262 . . 
       482 .  52 PHE CE1  C 131.640 . . 
       483 .  52 PHE CZ   C 128.742 . . 
       484 .  52 PHE N    N 116.829 . . 
       485 .  53 PRO HA   H   4.092 . . 
       486 .  53 PRO HB2  H   2.249 . . 
       487 .  53 PRO HG2  H   2.222 . . 
       488 .  53 PRO HG3  H   1.926 . . 
       489 .  53 PRO HD2  H   3.665 . . 
       490 .  53 PRO HD3  H   3.397 . . 
       491 .  53 PRO CA   C  63.005 . . 
       492 .  53 PRO CB   C  32.392 . . 
       493 .  53 PRO CG   C  27.663 . . 
       494 .  53 PRO CD   C  50.311 . . 
       495 .  54 MET H    H   8.313 . . 
       496 .  54 MET HA   H   4.964 . . 
       497 .  54 MET HB2  H   2.019 . . 
       498 .  54 MET HB3  H   1.358 . . 
       499 .  54 MET HG2  H   2.740 . . 
       500 .  54 MET HG3  H   1.880 . . 
       501 .  54 MET HE   H   1.983 . . 
       502 .  54 MET CA   C  53.547 . . 
       503 .  54 MET CB   C  31.147 . . 
       504 .  54 MET CG   C  30.649 . . 
       505 .  54 MET CE   C  14.027 . . 
       506 .  54 MET N    N 118.836 . . 
       507 .  55 ASP H    H   7.373 . . 
       508 .  55 ASP HA   H   4.812 . . 
       509 .  55 ASP HB2  H   2.367 . . 
       510 .  55 ASP CA   C  53.298 . . 
       511 .  55 ASP CB   C  44.089 . . 
       512 .  55 ASP N    N 118.836 . . 
       513 .  56 LEU H    H   9.250 . . 
       514 .  56 LEU HA   H   4.066 . . 
       515 .  56 LEU HB2  H   2.115 . . 
       516 .  56 LEU HB3  H   1.459 . . 
       517 .  56 LEU HG   H   1.774 . . 
       518 .  56 LEU HD1  H   0.979 . . 
       519 .  56 LEU HD2  H   0.690 . . 
       520 .  56 LEU CA   C  57.778 . . 
       521 .  56 LEU CB   C  41.102 . . 
       522 .  56 LEU CG   C  27.414 . . 
       523 .  56 LEU CD1  C  26.930 . . 
       524 .  56 LEU CD2  C  22.436 . . 
       525 .  56 LEU N    N 116.366 . . 
       526 .  57 LYS H    H   8.792 . . 
       527 .  57 LYS HA   H   4.247 . . 
       528 .  57 LYS HB2  H   2.368 . . 
       529 .  57 LYS HB3  H   2.279 . . 
       530 .  57 LYS HG2  H   1.535 . . 
       531 .  57 LYS HG3  H   1.446 . . 
       532 .  57 LYS HD2  H   1.838 . . 
       533 .  57 LYS HD3  H   1.707 . . 
       534 .  57 LYS HE2  H   3.009 . . 
       535 .  57 LYS CA   C  60.255 . . 
       536 .  57 LYS CB   C  31.894 . . 
       537 .  57 LYS CG   C  25.144 . . 
       538 .  57 LYS CD   C  29.903 . . 
       539 .  57 LYS CE   C  41.849 . . 
       540 .  57 LYS N    N 128.254 . . 
       541 .  58 THR H    H   9.394 . . 
       542 .  58 THR HA   H   3.873 . . 
       543 .  58 THR HB   H   4.108 . . 
       544 .  58 THR HG2  H   1.079 . . 
       545 .  58 THR CA   C  66.738 . . 
       546 .  58 THR CB   C  67.461 . . 
       547 .  58 THR CG2  C  21.937 . . 
       548 .  58 THR N    N 122.233 . . 
       549 .  59 MET H    H   7.899 . . 
       550 .  59 MET HA   H   4.322 . . 
       551 .  59 MET HB2  H   2.158 . . 
       552 .  59 MET HB3  H   1.941 . . 
       553 .  59 MET HG2  H   2.641 . . 
       554 .  59 MET HG3  H   2.553 . . 
       555 .  59 MET HE   H   1.296 . . 
       556 .  59 MET CA   C  60.516 . . 
       557 .  59 MET CB   C  33.138 . . 
       558 .  59 MET CG   C  33.138 . . 
       559 .  59 MET CE   C  16.214 . . 
       560 .  59 MET N    N 117.756 . . 
       561 .  60 SER H    H   7.987 . . 
       562 .  60 SER HA   H   4.426 . . 
       563 .  60 SER HB2  H   4.229 . . 
       564 .  60 SER HB3  H   4.058 . . 
       565 .  60 SER CA   C  62.615 . . 
       566 .  60 SER CB   C  62.756 . . 
       567 .  60 SER N    N 116.366 . . 
       568 .  61 GLU H    H   8.161 . . 
       569 .  61 GLU HA   H   4.086 . . 
       570 .  61 GLU HB2  H   2.245 . . 
       571 .  61 GLU HB3  H   2.097 . . 
       572 .  61 GLU HG2  H   2.392 . . 
       573 .  61 GLU HG3  H   2.256 . . 
       574 .  61 GLU CA   C  59.321 . . 
       575 .  61 GLU CB   C  28.906 . . 
       576 .  61 GLU CG   C  36.111 . . 
       577 .  61 GLU N    N 124.549 . . 
       578 .  62 ARG H    H   8.381 . . 
       579 .  62 ARG HA   H   3.890 . . 
       580 .  62 ARG HB2  H   2.065 . . 
       581 .  62 ARG HB3  H   1.108 . . 
       582 .  62 ARG HG2  H   1.732 . . 
       583 .  62 ARG HG3  H   0.903 . . 
       584 .  62 ARG HD2  H   2.602 . . 
       585 .  62 ARG HD3  H   2.069 . . 
       586 .  62 ARG CA   C  60.267 . . 
       587 .  62 ARG CB   C  30.401 . . 
       588 .  62 ARG CG   C  29.155 . . 
       589 .  62 ARG CD   C  43.840 . . 
       590 .  62 ARG N    N 120.380 . . 
       591 .  63 LEU H    H   8.885 . . 
       592 .  63 LEU HA   H   4.706 . . 
       593 .  63 LEU HB2  H   2.331 . . 
       594 .  63 LEU HB3  H   1.960 . . 
       595 .  63 LEU HG   H   1.841 . . 
       596 .  63 LEU HD1  H   0.919 . . 
       597 .  63 LEU HD2  H   1.077 . . 
       598 .  63 LEU CA   C  58.276 . . 
       599 .  63 LEU CB   C  42.098 . . 
       600 .  63 LEU CG   C  27.165 . . 
       601 .  63 LEU CD1  C  26.916 . . 
       602 .  63 LEU CD2  C  25.423 . . 
       603 .  63 LEU N    N 120.380 . . 
       604 .  64 LYS H    H   7.975 . . 
       605 .  64 LYS HA   H   4.376 . . 
       606 .  64 LYS HB2  H   2.067 . . 
       607 .  64 LYS HB3  H   2.079 . . 
       608 .  64 LYS HG2  H   1.630 . . 
       609 .  64 LYS HD2  H   1.793 . . 
       610 .  64 LYS HE2  H   3.026 . . 
       611 .  64 LYS HE3  H   3.025 . . 
       612 .  64 LYS CA   C  59.271 . . 
       613 .  64 LYS CB   C  32.143 . . 
       614 .  64 LYS CG   C  24.925 . . 
       615 .  64 LYS CD   C  29.405 . . 
       616 .  64 LYS CE   C  42.098 . . 
       617 .  64 LYS N    N 119.917 . . 
       618 .  65 ASN H    H   7.960 . . 
       619 .  65 ASN HA   H   4.807 . . 
       620 .  65 ASN HB2  H   3.037 . . 
       621 .  65 ASN HB3  H   2.794 . . 
       622 .  65 ASN HD21 H   7.605 . . 
       623 .  65 ASN HD22 H   6.973 . . 
       624 .  65 ASN CA   C  53.298 . . 
       625 .  65 ASN CB   C  38.160 . . 
       626 .  65 ASN N    N 116.212 . . 
       627 .  65 ASN ND2  N 112.352 . . 
       628 .  66 ARG H    H   8.184 . . 
       629 .  66 ARG HA   H   4.429 . . 
       630 .  66 ARG HB2  H   2.114 . . 
       631 .  66 ARG HB3  H   2.036 . . 
       632 .  66 ARG HG2  H   1.588 . . 
       633 .  66 ARG HG3  H   1.542 . . 
       634 .  66 ARG HD2  H   3.110 . . 
       635 .  66 ARG HD3  H   3.067 . . 
       636 .  66 ARG CA   C  56.533 . . 
       637 .  66 ARG CB   C  25.422 . . 
       638 .  66 ARG CG   C  27.662 . . 
       639 .  66 ARG CD   C  42.596 . . 
       640 .  66 ARG N    N 114.205 . . 
       641 .  67 TYR H    H   8.225 . . 
       642 .  67 TYR HA   H   4.086 . . 
       643 .  67 TYR HB2  H   2.975 . . 
       644 .  67 TYR HB3  H   2.093 . . 
       645 .  67 TYR HD1  H   6.320 . . 
       646 .  67 TYR HE1  H   6.737 . . 
       647 .  67 TYR CA   C  60.018 . . 
       648 .  67 TYR CB   C  40.605 . . 
       649 .  67 TYR CD1  C 133.297 . . 
       650 .  67 TYR CE1  C 117.561 . . 
       651 .  67 TYR N    N 116.829 . . 
       652 .  68 TYR H    H   8.011 . . 
       653 .  68 TYR HA   H   4.562 . . 
       654 .  68 TYR HB2  H   3.104 . . 
       655 .  68 TYR HB3  H   2.918 . . 
       656 .  68 TYR HD1  H   7.189 . . 
       657 .  68 TYR HE1  H   7.331 . . 
       658 .  68 TYR CA   C  57.778 . . 
       659 .  68 TYR CB   C  36.077 . . 
       660 .  68 TYR CD1  C 131.847 . . 
       661 .  68 TYR CE1  C 119.010 . . 
       662 .  68 TYR N    N 114.822 . . 
       663 .  69 VAL H    H   7.689 . . 
       664 .  69 VAL HA   H   4.110 . . 
       665 .  69 VAL HB   H   2.337 . . 
       666 .  69 VAL HG1  H   0.977 . . 
       667 .  69 VAL HG2  H   0.848 . . 
       668 .  69 VAL CA   C  62.009 . . 
       669 .  69 VAL CB   C  31.411 . . 
       670 .  69 VAL CG1  C  21.441 . . 
       671 .  69 VAL CG2  C  18.703 . . 
       672 .  69 VAL N    N 115.903 . . 
       673 .  70 SER H    H   7.432 . . 
       674 .  70 SER HA   H   4.802 . . 
       675 .  70 SER HB2  H   4.214 . . 
       676 .  70 SER HB3  H   3.753 . . 
       677 .  70 SER CA   C  55.538 . . 
       678 .  70 SER CB   C  66.240 . . 
       679 .  70 SER N    N 111.426 . . 
       680 .  71 LYS HA   H   4.514 . . 
       681 .  71 LYS CA   C  55.787 . . 
       682 .  72 LYS H    H   8.259 . . 
       683 .  72 LYS HA   H   4.069 . . 
       684 .  72 LYS HB2  H   1.893 . . 
       685 .  72 LYS HB3  H   1.857 . . 
       686 .  72 LYS HG2  H   1.505 . . 
       687 .  72 LYS HD2  H   1.673 . . 
       688 .  72 LYS HE2  H   3.237 . . 
       689 .  72 LYS CA   C  59.520 . . 
       690 .  72 LYS CB   C  31.644 . . 
       691 .  72 LYS CG   C  24.675 . . 
       692 .  72 LYS CD   C  28.409 . . 
       693 .  72 LYS CE   C  41.351 . . 
       694 .  72 LYS N    N 120.226 . . 
       695 .  73 LEU H    H   7.420 . . 
       696 .  73 LEU HA   H   4.251 . . 
       697 .  73 LEU HB2  H   2.022 . . 
       698 .  73 LEU HB3  H   1.920 . . 
       699 .  73 LEU HG   H   1.787 . . 
       700 .  73 LEU HD1  H   0.969 . . 
       701 .  73 LEU HD2  H   0.919 . . 
       702 .  73 LEU CA   C  57.778 . . 
       703 .  73 LEU CB   C  43.591 . . 
       704 .  73 LEU CG   C  27.414 . . 
       705 .  73 LEU CD1  C  25.758 . . 
       706 .  73 LEU CD2  C  23.432 . . 
       707 .  73 LEU N    N 118.836 . . 
       708 .  74 PHE H    H   6.945 . . 
       709 .  74 PHE HA   H   3.778 . . 
       710 .  74 PHE HB2  H   2.988 . . 
       711 .  74 PHE HB3  H   2.432 . . 
       712 .  74 PHE HD1  H   6.415 . . 
       713 .  74 PHE HE1  H   6.960 . . 
       714 .  74 PHE HZ   H   7.060 . . 
       715 .  74 PHE CA   C  60.765 . . 
       716 .  74 PHE CB   C  39.609 . . 
       717 .  74 PHE CD1  C 132.262 . . 
       718 .  74 PHE CE1  C 130.191 . . 
       719 .  74 PHE N    N 118.836 . . 
       720 .  75 MET H    H   8.509 . . 
       721 .  75 MET HA   H   3.945 . . 
       722 .  75 MET HB2  H   2.339 . . 
       723 .  75 MET HB3  H   2.229 . . 
       724 .  75 MET HG2  H   2.954 . . 
       725 .  75 MET HG3  H   2.631 . . 
       726 .  75 MET HE   H   2.094 . . 
       727 .  75 MET CA   C  59.022 . . 
       728 .  75 MET CB   C  32.391 . . 
       729 .  75 MET CG   C  32.292 . . 
       730 .  75 MET CE   C  16.961 . . 
       731 .  75 MET N    N 116.366 . . 
       732 .  76 ALA H    H   8.016 . . 
       733 .  76 ALA HA   H   4.102 . . 
       734 .  76 ALA HB   H   1.520 . . 
       735 .  76 ALA CA   C  55.040 . . 
       736 .  76 ALA CB   C  18.204 . . 
       737 .  76 ALA N    N 119.917 . . 
       738 .  77 ASP H    H   7.385 . . 
       739 .  77 ASP HA   H   4.371 . . 
       740 .  77 ASP HB2  H   2.742 . . 
       741 .  77 ASP CA   C  57.529 . . 
       742 .  77 ASP CB   C  38.614 . . 
       743 .  77 ASP N    N 119.763 . . 
       744 .  78 LEU H    H   7.408 . . 
       745 .  78 LEU HA   H   3.413 . . 
       746 .  78 LEU HB2  H   0.758 . . 
       747 .  78 LEU HB3  H   0.468 . . 
       748 .  78 LEU HG   H   0.700 . . 
       749 .  78 LEU HD1  H   0.103 . . 
       750 .  78 LEU HD2  H   0.213 . . 
       751 .  78 LEU CA   C  57.778 . . 
       752 .  78 LEU CB   C  40.107 . . 
       753 .  78 LEU CG   C  27.663 . . 
       754 .  78 LEU CD1  C  25.921 . . 
       755 .  78 LEU CD2  C  24.177 . . 
       756 .  78 LEU N    N 119.608 . . 
       757 .  79 GLN H    H   8.085 . . 
       758 .  79 GLN HA   H   3.826 . . 
       759 .  79 GLN HB2  H   2.201 . . 
       760 .  79 GLN HB3  H   2.083 . . 
       761 .  79 GLN HG2  H   2.450 . . 
       762 .  79 GLN HG3  H   2.461 . . 
       763 .  79 GLN HE21 H   7.301 . . 
       764 .  79 GLN HE22 H   7.195 . . 
       765 .  79 GLN CA   C  59.022 . . 
       766 .  79 GLN CB   C  28.907 . . 
       767 .  79 GLN CG   C  35.331 . . 
       768 .  79 GLN CD   C 180.113 . . 
       769 .  79 GLN N    N 114.050 . . 
       770 .  79 GLN NE2  N 111.271 . . 
       771 .  80 ARG H    H   7.387 . . 
       772 .  80 ARG HA   H   4.085 . . 
       773 .  80 ARG HB2  H   2.004 . . 
       774 .  80 ARG HB3  H   1.920 . . 
       775 .  80 ARG HG2  H   1.754 . . 
       776 .  80 ARG HD2  H   3.392 . . 
       777 .  80 ARG HD3  H   3.323 . . 
       778 .  80 ARG CA   C  58.276 . . 
       779 .  80 ARG CB   C  29.653 . . 
       780 .  80 ARG CG   C  26.916 . . 
       781 .  80 ARG CD   C  43.094 . . 
       782 .  80 ARG N    N 118.682 . . 
       783 .  81 VAL H    H   6.970 . . 
       784 .  81 VAL HA   H   3.118 . . 
       785 .  81 VAL HB   H   1.488 . . 
       786 .  81 VAL HG1  H   0.504 . . 
       787 .  81 VAL HG2  H   0.154 . . 
       788 .  81 VAL CA   C  66.493 . . 
       789 .  81 VAL CB   C  30.649 . . 
       790 .  81 VAL CG1  C  22.187 . . 
       791 .  81 VAL CG2  C  21.720 . . 
       792 .  81 VAL N    N 117.910 . . 
       793 .  82 PHE H    H   6.381 . . 
       794 .  82 PHE HA   H   4.180 . . 
       795 .  82 PHE HB2  H   3.140 . . 
       796 .  82 PHE HB3  H   2.999 . . 
       797 .  82 PHE HD1  H   6.700 . . 
       798 .  82 PHE HE1  H   6.522 . . 
       799 .  82 PHE HZ   H   6.471 . . 
       800 .  82 PHE CA   C  58.500 . . 
       801 .  82 PHE CB   C  37.867 . . 
       802 .  82 PHE CD1  C 131.019 . . 
       803 .  82 PHE CE1  C 130.812 . . 
       804 .  82 PHE CZ   C 128.121 . . 
       805 .  82 PHE N    N 116.984 . . 
       806 .  83 THR H    H   9.063 . . 
       807 .  83 THR HA   H   3.877 . . 
       808 .  83 THR HB   H   4.233 . . 
       809 .  83 THR HG2  H   1.327 . . 
       810 .  83 THR CA   C  66.573 . . 
       811 .  83 THR CB   C  68.231 . . 
       812 .  83 THR CG2  C  22.216 . . 
       813 .  83 THR N    N 114.977 . . 
       814 .  84 ASN H    H   8.889 . . 
       815 .  84 ASN HA   H   4.329 . . 
       816 .  84 ASN HB2  H   3.055 . . 
       817 .  84 ASN HB3  H   2.624 . . 
       818 .  84 ASN CA   C  55.289 . . 
       819 .  84 ASN CB   C  37.618 . . 
       820 .  84 ASN N    N 120.998 . . 
       821 .  85 CYS H    H   6.926 . . 
       822 .  85 CYS HA   H   4.548 . . 
       823 .  85 CYS HB2  H   3.398 . . 
       824 .  85 CYS HB3  H   3.083 . . 
       825 .  85 CYS CA   C  61.746 . . 
       826 .  85 CYS CB   C  26.666 . . 
       827 .  85 CYS N    N 117.138 . . 
       828 .  86 LYS H    H   7.730 . . 
       829 .  86 LYS HA   H   4.245 . . 
       830 .  86 LYS HB2  H   1.780 . . 
       831 .  86 LYS HG2  H   1.306 . . 
       832 .  86 LYS HG3  H   0.094 . . 
       833 .  86 LYS HD2  H   1.366 . . 
       834 .  86 LYS HD3  H   1.310 . . 
       835 .  86 LYS HE2  H   2.519 . . 
       836 .  86 LYS HE3  H   2.466 . . 
       837 .  86 LYS CA   C  58.499 . . 
       838 .  86 LYS CB   C  32.446 . . 
       839 .  86 LYS CG   C  25.422 . . 
       840 .  86 LYS CD   C  29.654 . . 
       841 .  86 LYS CE   C  41.103 . . 
       842 .  86 LYS N    N 116.984 . . 
       843 .  87 GLU H    H   7.986 . . 
       844 .  87 GLU HA   H   4.286 . . 
       845 .  87 GLU HB2  H   2.183 . . 
       846 .  87 GLU HB3  H   2.002 . . 
       847 .  87 GLU HG2  H   2.414 . . 
       848 .  87 GLU HG3  H   2.201 . . 
       849 .  87 GLU CA   C  57.951 . . 
       850 .  87 GLU CB   C  30.151 . . 
       851 .  87 GLU CG   C  36.390 . . 
       852 .  87 GLU N    N 118.373 . . 
       853 .  88 TYR H    H   7.932 . . 
       854 .  88 TYR HA   H   4.315 . . 
       855 .  88 TYR HB2  H   2.933 . . 
       856 .  88 TYR HB3  H   2.887 . . 
       857 .  88 TYR HD1  H   7.069 . . 
       858 .  88 TYR HE1  H   6.844 . . 
       859 .  88 TYR CA   C  61.262 . . 
       860 .  88 TYR CB   C  40.854 . . 
       861 .  88 TYR CD1  C 133.297 . . 
       862 .  88 TYR CE1  C 118.182 . . 
       863 .  88 TYR N    N 115.903 . . 
       864 .  89 ASN H    H   8.083 . . 
       865 .  89 ASN HA   H   5.047 . . 
       866 .  89 ASN HB2  H   3.207 . . 
       867 .  89 ASN HB3  H   2.974 . . 
       868 .  89 ASN HD21 H   8.355 . . 
       869 .  89 ASN HD22 H   7.791 . . 
       870 .  89 ASN CA   C  51.817 . . 
       871 .  89 ASN CB   C  40.605 . . 
       872 .  89 ASN N    N 115.285 . . 
       873 .  89 ASN ND2  N 119.416 . . 
       874 .  90 PRO HA   H   4.844 . . 
       875 .  90 PRO HB2  H   2.414 . . 
       876 .  90 PRO HB3  H   2.188 . . 
       877 .  90 PRO HD2  H   4.016 . . 
       878 .  90 PRO HD3  H   3.849 . . 
       879 .  90 PRO CA   C  61.262 . . 
       880 .  90 PRO CB   C  31.147 . . 
       881 .  90 PRO CD   C  50.311 . . 
       882 .  91 PRO HA   H   2.499 . . 
       883 .  91 PRO HB2  H   1.612 . . 
       884 .  91 PRO HG2  H   1.981 . . 
       885 .  91 PRO HG3  H   1.701 . . 
       886 .  91 PRO HD2  H   3.688 . . 
       887 .  91 PRO HD3  H   3.683 . . 
       888 .  91 PRO CA   C  63.751 . . 
       889 .  91 PRO CB   C  31.645 . . 
       890 .  91 PRO CG   C  27.414 . . 
       891 .  91 PRO CD   C  50.560 . . 
       892 .  92 GLU H    H   8.341 . . 
       893 .  92 GLU HA   H   4.201 . . 
       894 .  92 GLU HB2  H   2.120 . . 
       895 .  92 GLU HB3  H   1.976 . . 
       896 .  92 GLU HG2  H   2.381 . . 
       897 .  92 GLU HG3  H   2.234 . . 
       898 .  92 GLU CA   C  56.992 . . 
       899 .  92 GLU CB   C  28.409 . . 
       900 .  92 GLU CG   C  37.120 . . 
       901 .  92 GLU N    N 112.970 . . 
       902 .  93 SER H    H   8.046 . . 
       903 .  93 SER HA   H   4.411 . . 
       904 .  93 SER HB2  H   4.283 . . 
       905 .  93 SER HB3  H   4.206 . . 
       906 .  93 SER CA   C  58.276 . . 
       907 .  93 SER CB   C  66.240 . . 
       908 .  93 SER N    N 115.496 . . 
       909 .  94 GLU H    H   9.149 . . 
       910 .  94 GLU HA   H   4.235 . . 
       911 .  94 GLU HB2  H   2.138 . . 
       912 .  94 GLU HB3  H   2.034 . . 
       913 .  94 GLU HG2  H   2.248 . . 
       914 .  94 GLU CA   C  59.082 . . 
       915 .  94 GLU CB   C  28.658 . . 
       916 .  94 GLU CG   C  36.060 . . 
       917 .  94 GLU N    N 123.005 . . 
       918 .  95 TYR H    H   6.653 . . 
       919 .  95 TYR HA   H   3.596 . . 
       920 .  95 TYR HB2  H   2.903 . . 
       921 .  95 TYR HB3  H   2.443 . . 
       922 .  95 TYR HD1  H   6.519 . . 
       923 .  95 TYR HD2  H   6.868 . . 
       924 .  95 TYR HE1  H   6.595 . . 
       925 .  95 TYR CA   C  60.018 . . 
       926 .  95 TYR CB   C  38.863 . . 
       927 .  95 TYR CD1  C 130.812 . . 
       928 .  95 TYR CE1  C 118.389 . . 
       929 .  95 TYR N    N 113.896 . . 
       930 .  96 TYR H    H   7.336 . . 
       931 .  96 TYR HA   H   3.806 . . 
       932 .  96 TYR HB2  H   3.414 . . 
       933 .  96 TYR HB3  H   2.542 . . 
       934 .  96 TYR HD1  H   7.097 . . 
       935 .  96 TYR HE1  H   7.028 . . 
       936 .  96 TYR CA   C  61.597 . . 
       937 .  96 TYR CB   C  40.107 . . 
       938 .  96 TYR CD1  C 134.953 . . 
       939 .  96 TYR CE1  C 117.975 . . 
       940 .  96 TYR N    N 119.454 . . 
       941 .  97 LYS H    H   7.893 . . 
       942 .  97 LYS HA   H   4.205 . . 
       943 .  97 LYS HB2  H   2.067 . . 
       944 .  97 LYS HG2  H   1.831 . . 
       945 .  97 LYS HG3  H   1.551 . . 
       946 .  97 LYS HD2  H   1.771 . . 
       947 .  97 LYS HE2  H   3.006 . . 
       948 .  97 LYS CA   C  60.516 . . 
       949 .  97 LYS CB   C  32.392 . . 
       950 .  97 LYS CG   C  25.672 . . 
       951 .  97 LYS CD   C  29.653 . . 
       952 .  97 LYS CE   C  41.866 . . 
       953 .  97 LYS N    N 117.756 . . 
       954 .  98 CYS H    H   8.452 . . 
       955 .  98 CYS HA   H   4.201 . . 
       956 .  98 CYS HB2  H   3.425 . . 
       957 .  98 CYS HB3  H   3.069 . . 
       958 .  98 CYS CA   C  64.996 . . 
       959 .  98 CYS CB   C  26.655 . . 
       960 .  98 CYS N    N 116.521 . . 
       961 .  99 ALA H    H   8.208 . . 
       962 .  99 ALA HA   H   3.931 . . 
       963 .  99 ALA HB   H   1.657 . . 
       964 .  99 ALA CA   C  55.289 . . 
       965 .  99 ALA CB   C  18.323 . . 
       966 .  99 ALA N    N 120.380 . . 
       967 . 100 ASN H    H   8.092 . . 
       968 . 100 ASN HA   H   4.375 . . 
       969 . 100 ASN HB2  H   2.920 . . 
       970 . 100 ASN HB3  H   2.894 . . 
       971 . 100 ASN CA   C  56.036 . . 
       972 . 100 ASN CB   C  38.863 . . 
       973 . 100 ASN N    N 115.440 . . 
       974 . 101 ILE H    H   7.936 . . 
       975 . 101 ILE HA   H   3.688 . . 
       976 . 101 ILE HB   H   1.939 . . 
       977 . 101 ILE HG12 H   1.871 . . 
       978 . 101 ILE HG13 H   1.213 . . 
       979 . 101 ILE HG2  H   1.020 . . 
       980 . 101 ILE HD1  H   0.981 . . 
       981 . 101 ILE CA   C  64.747 . . 
       982 . 101 ILE CB   C  38.862 . . 
       983 . 101 ILE CG1  C  29.404 . . 
       984 . 101 ILE CG2  C  17.706 . . 
       985 . 101 ILE CD1  C  13.475 . . 
       986 . 101 ILE N    N 120.072 . . 
       987 . 102 LEU H    H   8.543 . . 
       988 . 102 LEU HA   H   3.722 . . 
       989 . 102 LEU HB2  H   1.492 . . 
       990 . 102 LEU HB3  H   1.289 . . 
       991 . 102 LEU HG   H   1.625 . . 
       992 . 102 LEU HD1  H   0.788 . . 
       993 . 102 LEU HD2  H   0.791 . . 
       994 . 102 LEU CA   C  56.534 . . 
       995 . 102 LEU CB   C  41.600 . . 
       996 . 102 LEU CG   C  26.666 . . 
       997 . 102 LEU CD1  C  25.173 . . 
       998 . 102 LEU CD2  C  24.188 . . 
       999 . 102 LEU N    N 122.542 . . 
      1000 . 103 GLU H    H   8.092 . . 
      1001 . 103 GLU HA   H   3.225 . . 
      1002 . 103 GLU HB2  H   1.775 . . 
      1003 . 103 GLU HB3  H   1.339 . . 
      1004 . 103 GLU HG2  H   2.040 . . 
      1005 . 103 GLU HG3  H   1.971 . . 
      1006 . 103 GLU CA   C  59.520 . . 
      1007 . 103 GLU CB   C  29.816 . . 
      1008 . 103 GLU CG   C  37.120 . . 
      1009 . 103 GLU N    N 120.844 . . 
      1010 . 104 LYS H    H   7.195 . . 
      1011 . 104 LYS HA   H   4.109 . . 
      1012 . 104 LYS HB2  H   1.981 . . 
      1013 . 104 LYS HG2  H   1.538 . . 
      1014 . 104 LYS HG3  H   1.439 . . 
      1015 . 104 LYS HD2  H   1.748 . . 
      1016 . 104 LYS HE2  H   3.011 . . 
      1017 . 104 LYS CA   C  59.520 . . 
      1018 . 104 LYS CB   C  32.143 . . 
      1019 . 104 LYS CG   C  25.174 . . 
      1020 . 104 LYS CD   C  29.053 . . 
      1021 . 104 LYS CE   C  41.855 . . 
      1022 . 104 LYS N    N 117.601 . . 
      1023 . 105 PHE H    H   7.901 . . 
      1024 . 105 PHE HA   H   4.354 . . 
      1025 . 105 PHE HB2  H   3.159 . . 
      1026 . 105 PHE HB3  H   3.104 . . 
      1027 . 105 PHE HD1  H   7.218 . . 
      1028 . 105 PHE HE1  H   7.345 . . 
      1029 . 105 PHE HZ   H   7.473 . . 
      1030 . 105 PHE CA   C  61.431 . . 
      1031 . 105 PHE CB   C  39.112 . . 
      1032 . 105 PHE CD1  C 131.976 . . 
      1033 . 105 PHE N    N 121.152 . . 
      1034 . 106 PHE H    H   9.159 . . 
      1035 . 106 PHE HA   H   4.006 . . 
      1036 . 106 PHE HB2  H   3.342 . . 
      1037 . 106 PHE HB3  H   3.140 . . 
      1038 . 106 PHE HD1  H   6.952 . . 
      1039 . 106 PHE HE1  H   7.066 . . 
      1040 . 106 PHE HZ   H   7.331 . . 
      1041 . 106 PHE CA   C  60.516 . . 
      1042 . 106 PHE CB   C  38.614 . . 
      1043 . 106 PHE CD1  C 132.273 . . 
      1044 . 106 PHE CE1  C 131.138 . . 
      1045 . 106 PHE CZ   C 131.433 . . 
      1046 . 106 PHE N    N 120.680 . . 
      1047 . 107 PHE H    H   8.386 . . 
      1048 . 107 PHE HA   H   3.862 . . 
      1049 . 107 PHE HB2  H   3.090 . . 
      1050 . 107 PHE HD1  H   7.225 . . 
      1051 . 107 PHE HE1  H   7.370 . . 
      1052 . 107 PHE HZ   H   7.473 . . 
      1053 . 107 PHE CA   C  61.511 . . 
      1054 . 107 PHE CB   C  37.867 . . 
      1055 . 107 PHE CD1  C 131.405 . . 
      1056 . 107 PHE CE1  C 131.226 . . 
      1057 . 107 PHE CZ   C 130.191 . . 
      1058 . 107 PHE N    N 118.064 . . 
      1059 . 108 SER H    H   7.911 . . 
      1060 . 108 SER HA   H   4.238 . . 
      1061 . 108 SER HB2  H   4.026 . . 
      1062 . 108 SER CA   C  61.511 . . 
      1063 . 108 SER CB   C  62.591 . . 
      1064 . 108 SER N    N 114.822 . . 
      1065 . 109 LYS H    H   7.999 . . 
      1066 . 109 LYS HA   H   4.061 . . 
      1067 . 109 LYS HB2  H   1.768 . . 
      1068 . 109 LYS HB3  H   1.575 . . 
      1069 . 109 LYS HG2  H   0.842 . . 
      1070 . 109 LYS HD2  H   1.413 . . 
      1071 . 109 LYS HE2  H   2.615 . . 
      1072 . 109 LYS HE3  H   2.478 . . 
      1073 . 109 LYS CA   C  56.783 . . 
      1074 . 109 LYS CB   C  31.396 . . 
      1075 . 109 LYS CG   C  23.020 . . 
      1076 . 109 LYS CD   C  27.005 . . 
      1077 . 109 LYS CE   C  42.098 . . 
      1078 . 109 LYS N    N 120.998 . . 
      1079 . 110 ILE H    H   8.109 . . 
      1080 . 110 ILE HA   H   3.852 . . 
      1081 . 110 ILE HB   H   1.782 . . 
      1082 . 110 ILE HG12 H   1.167 . . 
      1083 . 110 ILE HG13 H   1.088 . . 
      1084 . 110 ILE HG2  H   0.680 . . 
      1085 . 110 ILE HD1  H   0.548 . . 
      1086 . 110 ILE CA   C  64.249 . . 
      1087 . 110 ILE CB   C  37.120 . . 
      1088 . 110 ILE CG1  C  26.418 . . 
      1089 . 110 ILE CG2  C  18.703 . . 
      1090 . 110 ILE CD1  C  13.227 . . 
      1091 . 110 ILE N    N 116.984 . . 
      1092 . 111 LYS H    H   7.567 . . 
      1093 . 111 LYS HA   H   4.067 . . 
      1094 . 111 LYS HB2  H   1.916 . . 
      1095 . 111 LYS HB3  H   1.794 . . 
      1096 . 111 LYS HG2  H   1.444 . . 
      1097 . 111 LYS HG3  H   1.343 . . 
      1098 . 111 LYS HD2  H   1.665 . . 
      1099 . 111 LYS HE2  H   2.948 . . 
      1100 . 111 LYS CA   C  59.520 . . 
      1101 . 111 LYS CB   C  32.640 . . 
      1102 . 111 LYS CG   C  25.173 . . 
      1103 . 111 LYS CD   C  29.409 . . 
      1104 . 111 LYS CE   C  41.351 . . 
      1105 . 111 LYS N    N 122.387 . . 
      1106 . 112 GLU H    H   8.069 . . 
      1107 . 112 GLU HA   H   4.011 . . 
      1108 . 112 GLU HB2  H   2.095 . . 
      1109 . 112 GLU HG2  H   2.405 . . 
      1110 . 112 GLU HG3  H   2.235 . . 
      1111 . 112 GLU CA   C  58.525 . . 
      1112 . 112 GLU CB   C  30.077 . . 
      1113 . 112 GLU CG   C  35.876 . . 
      1114 . 112 GLU N    N 121.152 . . 
      1115 . 113 ALA H    H   7.620 . . 
      1116 . 113 ALA HA   H   4.316 . . 
      1117 . 113 ALA HB   H   1.396 . . 
      1118 . 113 ALA CA   C  52.302 . . 
      1119 . 113 ALA CB   C  19.449 . . 
      1120 . 113 ALA N    N 117.910 . . 
      1121 . 114 GLY H    H   7.761 . . 
      1122 . 114 GLY HA2  H   4.325 . . 
      1123 . 114 GLY HA3  H   4.094 . . 
      1124 . 114 GLY CA   C  46.021 . . 
      1125 . 114 GLY N    N 126.093 . . 
      1126 . 115 LEU H    H   7.740 . . 
      1127 . 115 LEU HA   H   4.234 . . 
      1128 . 115 LEU HB2  H   1.620 . . 
      1129 . 115 LEU HB3  H   1.607 . . 
      1130 . 115 LEU HG   H   1.553 . . 
      1131 . 115 LEU HD1  H   0.741 . . 
      1132 . 115 LEU HD2  H   0.768 . . 
      1133 . 115 LEU CA   C  55.538 . . 
      1134 . 115 LEU CB   C  42.845 . . 
      1135 . 115 LEU CG   C  27.077 . . 
      1136 . 115 LEU CD1  C  25.485 . . 
      1137 . 115 LEU CD2  C  23.302 . . 
      1138 . 115 LEU N    N 117.910 . . 
      1139 . 116 ILE H    H   7.483 . . 
      1140 . 116 ILE HA   H   4.262 . . 
      1141 . 116 ILE HB   H   1.841 . . 
      1142 . 116 ILE HG12 H   1.332 . . 
      1143 . 116 ILE HG13 H   0.959 . . 
      1144 . 116 ILE HG2  H   0.842 . . 
      1145 . 116 ILE HD1  H   0.811 . . 
      1146 . 116 ILE CA   C  60.018 . . 
      1147 . 116 ILE CB   C  39.609 . . 
      1148 . 116 ILE CG1  C  26.916 . . 
      1149 . 116 ILE CG2  C  17.707 . . 
      1150 . 116 ILE CD1  C  13.193 . . 
      1151 . 116 ILE N    N 115.440 . . 
      1152 . 117 ASP H    H   8.321 . . 
      1153 . 117 ASP HA   H   4.588 . . 
      1154 . 117 ASP HB2  H   2.728 . . 
      1155 . 117 ASP HB3  H   2.571 . . 
      1156 . 117 ASP CA   C  54.543 . . 
      1157 . 117 ASP CB   C  41.387 . . 
      1158 . 117 ASP N    N 123.623 . . 
      1159 . 118 LYS H    H   7.765 . . 
      1160 . 118 LYS HA   H   4.070 . . 
      1161 . 118 LYS HB2  H   1.813 . . 
      1162 . 118 LYS HB3  H   1.690 . . 
      1163 . 118 LYS HG2  H   1.410 . . 
      1164 . 118 LYS HD2  H   1.672 . . 
      1165 . 118 LYS HE2  H   2.997 . . 
      1166 . 118 LYS CA   C  57.883 . . 
      1167 . 118 LYS CB   C  33.670 . . 
      1168 . 118 LYS CG   C  24.639 . . 
      1169 . 118 LYS CD   C  29.653 . . 
      1170 . 118 LYS CE   C  40.506 . . 
      1171 . 118 LYS N    N 125.475 . . 

   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_ref_1
   _Mol_system_component_name        NP1
   _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 NP1 HA1 H 3.123 . . 
      2 . 1 NP1 HA2 H 3.123 . . 
      3 . 1 NP1 HB1 H 2.083 . . 
      4 . 1 NP1 HB2 H 2.083 . . 
      5 . 1 NP1 HG1 H 3.577 . . 
      6 . 1 NP1 HG2 H 3.577 . . 
      7 . 1 NP1 HE1 H 6.988 . . 

   stop_

save_