data_17312

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

save_entry_information
   _Saveframe_category      entry_information

   _Entry_title            
;
Tah1 complexed by MEEVD
;
   _BMRB_accession_number   17312
   _BMRB_flat_file_name     bmr17312.str
   _Entry_type              original
   _Submission_date         2010-11-22
   _Accession_date          2010-11-22
   _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 Jimenez       Beatriz   .  . 
      2 Ugwu          Francisca .  . 
      3 Zhao          Rongmin   .  . 
      4 Orti          Leticia   .  . 
      5 Houry         Walid     A. . 
      6 Pineda-Lucena Antonio   .  . 

   stop_

   loop_
      _Saveframe_category_type
      _Saveframe_category_type_count

      assigned_chemical_shifts 2 

   stop_

   loop_
      _Data_type
      _Data_type_count

      "1H chemical shifts"  699 
      "13C chemical shifts" 535 
      "15N chemical shifts" 117 

   stop_

   loop_
      _Revision_date
      _Revision_keyword
      _Revision_author
      _Revision_detail

      2014-05-14 update   BMRB   'update entry citation' 
      2012-01-04 original author 'original release'      

   stop_

save_


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

save_citation_1
   _Saveframe_category           entry_citation

   _Citation_full                .
   _Citation_title              'Structure of minimal tetratricopeptide repeat domain protein Tah1 reveals mechanism of its interaction with Pih1 and Hsp90.'
   _Citation_status              published
   _Citation_type                journal
   _CAS_abstract_code            .
   _MEDLINE_UI_code              .
   _PubMed_ID                    22179618

   loop_
      _Author_ordinal
      _Author_family_name
      _Author_given_name
      _Author_middle_initials
      _Author_family_title

      1 Jimenez       Beatriz   .  . 
      2 Ugwu          Francisca .  . 
      3 Zhao          Rongmin   .  . 
      4 Orti          Leticia   .  . 
      5 Makhnevych    Taras     .  . 
      6 Pineda-Lucena Antonio   .  . 
      7 Houry         Walid     A. . 

   stop_

   _Journal_abbreviation        'J. Biol. Chem.'
   _Journal_name_full           'The Journal of biological chemistry'
   _Journal_volume               287
   _Journal_issue                8
   _Journal_CSD                  .
   _Book_chapter_title           .
   _Book_volume                  .
   _Book_series                  .
   _Book_ISBN                    .
   _Conference_state_province    .
   _Conference_abstract_number   .
   _Page_first                   5698
   _Page_last                    5709
   _Year                         2012
   _Details                      .

save_


#######################################
#  Cited references within the entry  #
#######################################

save_citation_2
   _Saveframe_category           citation

   _Citation_full                .
   _Citation_title              'NMR Assignment of Tah1 protein bound to C-terminus of Hsp90'
   _Citation_status             'in preparation'
   _Citation_type                journal
   _CAS_abstract_code            .
   _MEDLINE_UI_code              .
   _PubMed_ID                    ?

   loop_
      _Author_ordinal
      _Author_family_name
      _Author_given_name
      _Author_middle_initials
      _Author_family_title

      1 Jimenez       Beatriz .  . 
      2 Pantoja-Uceda David   .  . 
      3 Hawkins       Cheryl  .  . 
      4 Orti          Leticia .  . 
      5 Zhao          Rongmin .  . 
      6 Houry         Walid   A. . 
      7 Pineda-Lucena Antonio .  . 

   stop_

   _Journal_abbreviation        'Biomol. NMR Assignments'
   _Journal_name_full            .
   _Journal_volume               .
   _Journal_issue                .
   _Journal_CSD                  .
   _Book_title                   .
   _Book_chapter_title           .
   _Book_volume                  .
   _Book_series                  .
   _Book_publisher               .
   _Book_publisher_city          .
   _Book_ISBN                    .
   _Conference_title             .
   _Conference_site              .
   _Conference_state_province    .
   _Conference_country           .
   _Conference_start_date        .
   _Conference_end_date          .
   _Conference_abstract_number   .
   _Thesis_institution           .
   _Thesis_institution_city      .
   _Thesis_institution_country   .
   _Page_first                   .
   _Page_last                    .
   _Year                         .
   _Details                      .

save_


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

save_assembly
   _Saveframe_category         molecular_system

   _Mol_system_name           'Tah1 complex with C-terminus of Hsp90 (MEEVD)'
   _Enzyme_commission_number   .

   loop_
      _Mol_system_component_name
      _Mol_label

      'molecule 1' $Tah1  
      'molecule 2' $MEEVD 

   stop_

   _System_molecular_weight    13230.7
   _System_physical_state      native
   _System_oligomer_state      ?
   _System_paramagnetic        no
   _System_thiol_state         .
   _Database_query_date        .
   _Details                   'Tah1, a tetratricopeptide repeat protein, complex with the acetilated penta-peptide MEEVD that corresponds to the C-Terminus of Hsp90'

save_


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

save_Tah1
   _Saveframe_category                          monomeric_polymer

   _Mol_type                                    polymer
   _Mol_polymer_class                           protein
   _Name_common                                 Tah1
   _Molecular_mass                              12567
   _Mol_thiol_state                            'all free'

   loop_
      _Biological_function

      'Hsp90 Co-factor' 
      'Pih1 Co-factor'  

   stop_

   _Details                                     .

   	##############################
   	#  Polymer residue sequence  #
   	##############################
   
      _Residue_count                               111
   _Mol_residue_sequence                       
;
MSQFEKQKEQGNSLFKQGLY
REAVHCYDQLITAQPQNPVG
YSNKAMALIKLGEYTQAIQM
CQQGLRYTSTAEHVAIRSKL
QYRLELAQGAVGSVQIPVVE
VDELPEGYDRS
;

   loop_
      _Residue_seq_code
      _Residue_label

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

   stop_

   _Sequence_homology_query_date                .
   _Sequence_homology_query_revised_last_date   2015-07-08

   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     18445  entity                                                                                      99.10 110 100.00 100.00 9.39e-74 
      BMRB     18447  entity_1                                                                                    99.10 110 100.00 100.00 9.39e-74 
      PDB  2L6J       "Tah1 Complexed By Meevd"                                                                   100.00 111 100.00 100.00 1.06e-74 
      PDB  2LSU       "The Nmr High Resolution Structure Of Yeast Tah1 In A Free Form"                             99.10 110 100.00 100.00 9.39e-74 
      PDB  2LSV       "The Nmr High Resolution Structure Of Yeast Tah1 In Complex With The Hsp90 C-terminal Tail"  99.10 110 100.00 100.00 9.39e-74 
      PDB  4CGQ       "Full Length Tah1 Bound To Hsp90 Peptide Srmeevd"                                            99.10 111  98.18  98.18 1.40e-71 
      PDB  4CGU       "Full Length Tah1 Bound To Yeast Pih1 And Hsp90 Peptide Srmeevd"                             99.10 112  98.18  98.18 1.36e-71 
      DBJ  GAA21965   "K7_Tah1p [Saccharomyces cerevisiae Kyokai no. 7]"                                          100.00 111  97.30  98.20 1.08e-72 
      EMBL CAA42288   "hypothetical protein [Saccharomyces cerevisiae]"                                           100.00 111 100.00 100.00 1.06e-74 
      EMBL CAY78265   "Tah1p [Saccharomyces cerevisiae EC1118]"                                                   100.00 111 100.00 100.00 1.06e-74 
      GB   AAS56477   "YCR060W [Saccharomyces cerevisiae]"                                                        100.00 111 100.00 100.00 1.06e-74 
      GB   AHN96120   "TAH1 [synthetic construct]"                                                                100.00 111 100.00 100.00 1.06e-74 
      GB   AHV79323   "TAH1 [synthetic construct]"                                                                100.00 111 100.00 100.00 1.06e-74 
      GB   AHY79733   "Tah1p [Saccharomyces cerevisiae YJM993]"                                                   100.00 111 100.00 100.00 1.06e-74 
      GB   AJP37484   "Tah1p [Saccharomyces cerevisiae YJM1078]"                                                  100.00 111 100.00 100.00 1.06e-74 
      REF  NP_009986  "Tah1p [Saccharomyces cerevisiae S288c]"                                                    100.00 111 100.00 100.00 1.06e-74 
      SP   P25638     "RecName: Full=TPR repeat-containing protein associated with Hsp90"                         100.00 111 100.00 100.00 1.06e-74 
      TPG  DAA07534   "TPA: Tah1p [Saccharomyces cerevisiae S288c]"                                               100.00 111 100.00 100.00 1.06e-74 

   stop_

save_


save_MEEVD
   _Saveframe_category                          monomeric_polymer

   _Mol_type                                    polymer
   _Mol_polymer_class                           protein
   _Name_common                                 MEEVD
   _Molecular_mass                              12567
   _Mol_thiol_state                            'not present'
   _Details                                     .
   _Residue_count                               5
   _Mol_residue_sequence                        MEEVD

   loop_
      _Residue_seq_code
      _Residue_author_seq_code
      _Residue_label

      1 720 MET  2 721 GLU  3 722 GLU  4 723 VAL  5 724 ASP 

   stop_

   _Sequence_homology_query_date                .
   _Sequence_homology_query_revised_last_date   .

save_


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

save_natural_source
   _Saveframe_category   natural_source


   loop_
      _Mol_label
      _Organism_name_common
      _NCBI_taxonomy_ID
      _Superkingdom
      _Kingdom
      _Genus
      _Species
      _Gene_mnemonic

      $Tah1 'Baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae 'TAH1 YCR060W YCR60W' 

   stop_

save_


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

save_experimental_source
   _Saveframe_category   experimental_source


   loop_
      _Mol_label
      _Production_method
      _Host_organism_name_common
      _Genus
      _Species
      _Strain
      _Variant
      _Vector_name

      $Tah1 'recombinant technology' . Escherichia coli 'BL21 (DE3)' gold pRIL 

   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

      $Tah1                1 mM '[U-99% 15N]'       
      $MEEVD               2 mM 'natural abundance' 
      'sodium phosphate'  25 mM 'natural abundance' 
      'sodium chloride'  100 mM 'natural abundance' 
       H2O                90 %  'natural abundance' 
       D2O                10 %  'natural abundance' 

   stop_

save_


save_sample_2
   _Saveframe_category   sample

   _Sample_type          solution
   _Details              .

   loop_
      _Mol_label
      _Concentration_value
      _Concentration_value_units
      _Isotopic_labeling

      $Tah1                1 mM '[U-99% 13C; U-99% 15N]' 
      $MEEVD               2 mM 'natural abundance'      
      'sodium phosphate'  25 mM 'natural abundance'      
      'sodium chloride'  100 mM 'natural abundance'      
       H2O                90 %  'natural abundance'      
       D2O                10 %  'natural abundance'      

   stop_

save_


save_sample_3
   _Saveframe_category   sample

   _Sample_type          solution
   _Details              .

   loop_
      _Mol_label
      _Concentration_value
      _Concentration_value_units
      _Isotopic_labeling

      $Tah1              800   uM 'natural abundance' 
      $MEEVD               1.6 mM 'natural abundance' 
      'sodium phosphate'  25   mM 'natural abundance' 
      'sodium chloride'  100   mM 'natural abundance' 
       H2O                90   %  'natural abundance' 
       D2O                10   %  'natural abundance' 

   stop_

save_


save_sample_4
   _Saveframe_category   sample

   _Sample_type          solution
   _Details              .

   loop_
      _Mol_label
      _Concentration_value
      _Concentration_value_units
      _Isotopic_labeling

      $Tah1                1 mM '[U-98% 13C; U-98% 15N]' 
      $MEEVD               2 mM 'natural abundance'      
      'sodium phosphate'  25 mM 'natural abundance'      
      'sodium chloride'  100 mM 'natural abundance'      
       D2O               100 %  'natural abundance'      

   stop_

save_


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

save_CARA
   _Saveframe_category   software

   _Name                 CARA
   _Version              1.8.4

   loop_
      _Vendor
      _Address
      _Electronic_address

      'Prof. Wuthrich Group' 'Prof. Kurt W thrich Institute of Molecular Biology and Biophysics ETH H nggerberg CH-8093 Z rich' . 

   stop_

   loop_
      _Task

      'chemical shift assignment' 

   stop_

   _Details              .

save_


save_TOPSPIN
   _Saveframe_category   software

   _Name                 TOPSPIN
   _Version              1.3

   loop_
      _Vendor
      _Address
      _Electronic_address

      'Bruker Biospin' . . 

   stop_

   loop_
      _Task

      collection 
      processing 

   stop_

   _Details              .

save_


save_UNIO
   _Saveframe_category   software

   _Name                 UNIO
   _Version              1.0.4

   loop_
      _Vendor
      _Address
      _Electronic_address

      'Torsten Herrmann Copyright 2002-2010' 
      
;
Dr. Torsten Herrmann  
  
Centre Europ en de RMN   Tr s Hauts Champs  
  
Universit  de Lyon/FRE 3008 CNRS / ENS Lyon  
  
5 rue de la Doua  
  
69100 Villeurbanne, France
; 
      torsten.herrmann@ens-lyon.fr 
      

   stop_

   loop_
      _Task

      'data analysis'      
      'peak picking'       
      'structure solution' 

   stop_

   _Details             'UNIO integrates in the same interface MATCH, ATNOS/ASCAN and ATNOS/CANDID. Just ATNOS/CANDID has been used for this project'

save_


save_CYANA
   _Saveframe_category   software

   _Name                 CYANA
   _Version              2.1

   loop_
      _Vendor
      _Address
      _Electronic_address

      'Guntert, Mumenthaler and Wuthrich' . . 

   stop_

   loop_
      _Task

       refinement          
      'structure solution' 

   stop_

   _Details              .

save_


save_AMBER
   _Saveframe_category   software

   _Name                 AMBER
   _Version              10

   loop_
      _Vendor
      _Address
      _Electronic_address

      'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' 
      
;
AMBER Software Administrator    
CCB Graduate Program; MC 2280    
University of California, San Francisco    
600 16th St. Room 522    
San Francisco, CA 94158-2517    
Phone: (415) 502-6518    
Fax: (415) 514-1546
; 
      
;
amber-admin@biomaps.rutgers.edu    
amber@ambermd.org
; 
      

   stop_

   loop_
      _Task

      refinement 

   stop_

   _Details             'The e-NMR GRID-enabled web portal Amber version has been used.'

save_


save_TALOS
   _Saveframe_category   software

   _Name                 TALOS
   _Version              original

   loop_
      _Vendor
      _Address
      _Electronic_address

      'Cornilescu, Delaglio and Bax' 
      
;
Frank Delaglio, Ph.D. (CONTRACTOR)  
Software Science Consultant.  
Laboratory of Chemical Physics, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda, MD 20892-0520, USA
; 
      delaglio@nih.gov 
      

   stop_

   loop_
      _Task

      'data analysis' 

   stop_

   _Details              .

save_


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

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

save_spectrometer_1
   _Saveframe_category   NMR_spectrometer

   _Manufacturer         Bruker
   _Model                Avance
   _Field_strength       600
   _Details             'It is equipped with a TCI cryo-probe'

save_


save_spectrometer_2
   _Saveframe_category   NMR_spectrometer

   _Manufacturer         Bruker
   _Model                Avance
   _Field_strength       900
   _Details             'It is equipped with a TCI cryo-probe'

save_


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

save_2D_1H-15N_HSQC_1
   _Saveframe_category   NMR_applied_experiment

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

save_


save_2D_1H-13C_HSQC_2
   _Saveframe_category   NMR_applied_experiment

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

save_


save_2D_1H-1H_NOESY_3
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '2D 1H-1H NOESY'
   _Sample_label        $sample_3

save_


save_3D_CBCA(CO)NH_4
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D CBCA(CO)NH'
   _Sample_label        $sample_2

save_


save_3D_HNCO_5
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D HNCO'
   _Sample_label        $sample_2

save_


save_3D_HNCA_6
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D HNCA'
   _Sample_label        $sample_2

save_


save_3D_HNCACB_7
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D HNCACB'
   _Sample_label        $sample_2

save_


save_3D_HBHA(CO)NH_8
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D HBHA(CO)NH'
   _Sample_label        $sample_2

save_


save_3D_H(CCO)NH_9
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D H(CCO)NH'
   _Sample_label        $sample_2

save_


save_3D_HCCH-TOCSY_10
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D HCCH-TOCSY'
   _Sample_label        $sample_4

save_


save_3D_1H-15N_NOESY_11
   _Saveframe_category   NMR_applied_experiment

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

save_


save_3D_1H-13C_NOESY_aliphatic_12
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D 1H-13C NOESY aliphatic'
   _Sample_label        $sample_4

save_


save_2D_15N_edited_1H-1H_NOESY_13
   _Saveframe_category   NMR_applied_experiment

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

save_


save_2D_13C-13C_COSY_14
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '2D 13C-13C COSY'
   _Sample_label        $sample_2

save_


save_3D_1H-13C_NOESY_aromatic_15
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D 1H-13C NOESY aromatic'
   _Sample_label        $sample_4

save_


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

save_sample_conditions_1
   _Saveframe_category   sample_conditions

   _Details             
;
Ac-MEEVD in relation 2:1 to Tah1 
25 mM Na2HPO4 
100 mM NaCl
;

   loop_
      _Variable_type
      _Variable_value
      _Variable_value_error
      _Variable_value_units

      'ionic strength'   0.1375 . M   
       pH                8      . pH  
       pressure          1      . atm 
       temperature     293      . K   

   stop_

save_


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

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

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

save_chemical_shift_reference_1
   _Saveframe_category   chemical_shift_reference

   _Details              .

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

      DSS C 13 'methyl protons' ppm 0.00 na       indirect cylindrical 'separate tube (no insert) similar to the experimental sample tube' parallel 0.251449530 
      DSS H  1 'methyl protons' ppm 0.00 internal direct   cylindrical 'separate tube (no insert) similar to the experimental sample tube' parallel 1.000000000 
      DSS N 15 'methyl protons' ppm 0.00 na       indirect cylindrical 'separate tube (no insert) similar to the experimental sample tube' parallel 0.101329118 

   stop_

save_


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

###################################################################
#       Chemical Shift Ambiguity Index Value Definitions          #
#                                                                 #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains.                              #
#                                                                 #
#   Index Value            Definition                             #
#                                                                 #
#      1             Unique (including isolated methyl protons,   #
#                         geminal atoms, and geminal methyl       #
#                         groups with identical chemical shifts)  #
#                         (e.g. ILE HD11, HD12, HD13 protons)     #
#      2             Ambiguity of geminal atoms or geminal methyl #
#                         proton groups (e.g. ASP HB2 and HB3     #
#                         protons, LEU CD1 and CD2 carbons, or    #
#                         LEU HD11, HD12, HD13 and HD21, HD22,    #
#                         HD23 methyl protons)                    #
#      3             Aromatic atoms on opposite sides of          #
#                         symmetrical rings (e.g. TYR HE1 and HE2 #
#                         protons)                                #
#      4             Intraresidue ambiguities (e.g. LYS HG and    #
#                         HD protons or TRP HZ2 and HZ3 protons)  #
#      5             Interresidue ambiguities (LYS 12 vs. LYS 27) #
#      6             Intermolecular ambiguities (e.g. ASP 31 CA   #
#                         in monomer 1 and ASP 31 CA in monomer 2 #
#                         of an asymmetrical homodimer, duplex    #
#                         DNA assignments, or other assignments   #
#                         that may apply to atoms in one or more  #
#                         molecule in the molecular assembly)     #
#      9             Ambiguous, specific ambiguity not defined    #
#                                                                 #
###################################################################
save_assigned_chem_shift_list_1_1
   _Saveframe_category               assigned_chemical_shifts

   _Details                          .

   loop_
      _Software_label

      $CARA 

   stop_

   loop_
      _Experiment_label

      '2D 1H-15N HSQC' 
      '2D 1H-13C HSQC' 
      '2D 1H-1H NOESY' 

   stop_

   loop_
      _Sample_label

      $sample_1 
      $sample_3 

   stop_

   _Sample_conditions_label         $sample_conditions_1
   _Chem_shift_reference_set_label  $chemical_shift_reference_1
   _Mol_system_component_name       'molecule 1'
   _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   3   3 GLN HA   H   4.329 0.020 1 
         2   3   3 GLN HB2  H   1.894 0.020 2 
         3   3   3 GLN HB3  H   1.827 0.020 2 
         4   3   3 GLN HE21 H   7.484 0.020 2 
         5   3   3 GLN HE22 H   6.819 0.020 2 
         6   3   3 GLN C    C 179.476 0.300 1 
         7   3   3 GLN CA   C  58.879 0.300 1 
         8   3   3 GLN CB   C  30.188 0.300 1 
         9   3   3 GLN CD   C 180.472 0.300 1 
        10   3   3 GLN NE2  N 112.947 0.300 1 
        11   4   4 PHE H    H   8.019 0.020 1 
        12   4   4 PHE HA   H   3.942 0.020 1 
        13   4   4 PHE HB2  H   3.073 0.020 2 
        14   4   4 PHE HB3  H   2.972 0.020 2 
        15   4   4 PHE HD1  H   6.987 0.020 3 
        16   4   4 PHE HD2  H   7.049 0.020 3 
        17   4   4 PHE HE1  H   7.321 0.020 3 
        18   4   4 PHE HE2  H   7.321 0.020 3 
        19   4   4 PHE C    C 176.612 0.300 1 
        20   4   4 PHE CA   C  61.687 0.300 1 
        21   4   4 PHE CB   C  39.941 0.300 1 
        22   4   4 PHE N    N 118.876 0.300 1 
        23   5   5 GLU H    H   7.985 0.020 1 
        24   5   5 GLU HA   H   3.834 0.020 1 
        25   5   5 GLU HB2  H   2.146 0.020 2 
        26   5   5 GLU HB3  H   2.116 0.020 2 
        27   5   5 GLU HG2  H   2.435 0.020 2 
        28   5   5 GLU HG3  H   2.407 0.020 2 
        29   5   5 GLU C    C 179.476 0.300 1 
        30   5   5 GLU CA   C  59.436 0.300 1 
        31   5   5 GLU CB   C  29.380 0.300 1 
        32   5   5 GLU CG   C  37.085 0.300 1 
        33   5   5 GLU CD   C 183.251 0.300 1 
        34   5   5 GLU N    N 117.554 0.300 1 
        35   6   6 LYS H    H   8.270 0.020 1 
        36   6   6 LYS HA   H   3.965 0.020 1 
        37   6   6 LYS HB2  H   1.834 0.020 2 
        38   6   6 LYS HB3  H   1.816 0.020 2 
        39   6   6 LYS HG2  H   1.469 0.020 2 
        40   6   6 LYS HG3  H   1.336 0.020 2 
        41   6   6 LYS HD2  H   1.618 0.020 2 
        42   6   6 LYS HD3  H   1.598 0.020 2 
        43   6   6 LYS HE2  H   2.885 0.020 2 
        44   6   6 LYS HE3  H   2.871 0.020 2 
        45   6   6 LYS HZ   H   7.235 0.020 1 
        46   6   6 LYS C    C 179.529 0.300 1 
        47   6   6 LYS CA   C  59.442 0.300 1 
        48   6   6 LYS CB   C  32.443 0.300 1 
        49   6   6 LYS CG   C  25.232 0.300 1 
        50   6   6 LYS CD   C  29.227 0.300 1 
        51   6   6 LYS CE   C  41.999 0.300 1 
        52   6   6 LYS N    N 120.424 0.300 1 
        53   7   7 GLN H    H   8.258 0.020 1 
        54   7   7 GLN HA   H   4.021 0.020 1 
        55   7   7 GLN HB2  H   2.002 0.020 2 
        56   7   7 GLN HB3  H   1.831 0.020 2 
        57   7   7 GLN HG2  H   2.229 0.020 2 
        58   7   7 GLN HG3  H   2.182 0.020 2 
        59   7   7 GLN HE21 H   7.046 0.020 2 
        60   7   7 GLN HE22 H   6.545 0.020 2 
        61   7   7 GLN C    C 178.355 0.300 1 
        62   7   7 GLN CA   C  58.879 0.300 1 
        63   7   7 GLN CB   C  28.155 0.300 1 
        64   7   7 GLN CG   C  34.128 0.300 1 
        65   7   7 GLN CD   C 178.751 0.300 1 
        66   7   7 GLN N    N 120.338 0.300 1 
        67   7   7 GLN NE2  N 109.426 0.300 1 
        68   8   8 LYS H    H   8.379 0.020 1 
        69   8   8 LYS HA   H   3.607 0.020 1 
        70   8   8 LYS HB2  H   1.947 0.020 2 
        71   8   8 LYS HB3  H   1.252 0.020 2 
        72   8   8 LYS HG2  H   1.455 0.020 2 
        73   8   8 LYS HG3  H   1.038 0.020 2 
        74   8   8 LYS HD2  H   1.314 0.020 2 
        75   8   8 LYS HD3  H   1.293 0.020 2 
        76   8   8 LYS HE2  H   3.147 0.020 2 
        77   8   8 LYS HE3  H   2.777 0.020 2 
        78   8   8 LYS HZ   H   6.913 0.020 1 
        79   8   8 LYS C    C 177.270 0.300 1 
        80   8   8 LYS CA   C  60.775 0.300 1 
        81   8   8 LYS CB   C  31.237 0.300 1 
        82   8   8 LYS CG   C  23.723 0.300 1 
        83   8   8 LYS CD   C  29.071 0.300 1 
        84   8   8 LYS CE   C  40.419 0.300 1 
        85   8   8 LYS N    N 122.171 0.300 1 
        86   9   9 GLU H    H   8.207 0.020 1 
        87   9   9 GLU HA   H   3.977 0.020 1 
        88   9   9 GLU HB2  H   2.091 0.020 2 
        89   9   9 GLU HB3  H   2.071 0.020 2 
        90   9   9 GLU HG2  H   2.315 0.020 2 
        91   9   9 GLU HG3  H   2.253 0.020 2 
        92   9   9 GLU C    C 179.476 0.300 1 
        93   9   9 GLU CA   C  59.240 0.300 1 
        94   9   9 GLU CB   C  29.230 0.300 1 
        95   9   9 GLU CG   C  36.366 0.300 1 
        96   9   9 GLU CD   C 183.946 0.300 1 
        97   9   9 GLU N    N 118.679 0.300 1 
        98  10  10 GLN H    H   8.091 0.020 1 
        99  10  10 GLN HA   H   4.066 0.020 1 
       100  10  10 GLN HB2  H   2.126 0.020 2 
       101  10  10 GLN HB3  H   2.093 0.020 2 
       102  10  10 GLN HG2  H   2.392 0.020 2 
       103  10  10 GLN HG3  H   2.322 0.020 2 
       104  10  10 GLN HE21 H   7.513 0.020 2 
       105  10  10 GLN HE22 H   6.887 0.020 2 
       106  10  10 GLN C    C 178.985 0.300 1 
       107  10  10 GLN CA   C  58.875 0.300 1 
       108  10  10 GLN CB   C  27.932 0.300 1 
       109  10  10 GLN CG   C  33.591 0.300 1 
       110  10  10 GLN CD   C 179.691 0.300 1 
       111  10  10 GLN N    N 120.855 0.300 1 
       112  10  10 GLN NE2  N 112.276 0.300 1 
       113  11  11 GLY H    H   8.438 0.020 1 
       114  11  11 GLY HA2  H   3.512 0.020 2 
       115  11  11 GLY HA3  H   3.296 0.020 2 
       116  11  11 GLY C    C 174.175 0.300 1 
       117  11  11 GLY CA   C  47.838 0.300 1 
       118  11  11 GLY N    N 107.935 0.300 1 
       119  12  12 ASN H    H   8.972 0.020 1 
       120  12  12 ASN HA   H   4.480 0.020 1 
       121  12  12 ASN HB2  H   2.953 0.020 2 
       122  12  12 ASN HB3  H   2.682 0.020 2 
       123  12  12 ASN C    C 177.946 0.300 1 
       124  12  12 ASN CA   C  55.512 0.300 1 
       125  12  12 ASN CB   C  36.480 0.300 1 
       126  12  12 ASN CG   C 175.355 0.300 1 
       127  12  12 ASN N    N 121.077 0.300 1 
       128  13  13 SER H    H   8.438 0.020 1 
       129  13  13 SER HA   H   4.210 0.020 1 
       130  13  13 SER HB2  H   3.996 0.020 2 
       131  13  13 SER HB3  H   3.910 0.020 2 
       132  13  13 SER C    C 177.519 0.300 1 
       133  13  13 SER CA   C  61.684 0.300 1 
       134  13  13 SER CB   C  62.809 0.300 1 
       135  13  13 SER N    N 118.162 0.300 1 
       136  14  14 LEU H    H   7.859 0.020 1 
       137  14  14 LEU HA   H   3.950 0.020 1 
       138  14  14 LEU HB2  H   1.860 0.020 2 
       139  14  14 LEU HB3  H   1.555 0.020 2 
       140  14  14 LEU HG   H   1.732 0.020 1 
       141  14  14 LEU HD1  H   0.712 0.020 1 
       142  14  14 LEU HD2  H   0.781 0.020 1 
       143  14  14 LEU C    C 178.960 0.300 1 
       144  14  14 LEU CA   C  58.351 0.300 1 
       145  14  14 LEU CB   C  40.581 0.300 1 
       146  14  14 LEU CG   C  26.817 0.300 1 
       147  14  14 LEU CD1  C  26.249 0.300 2 
       148  14  14 LEU CD2  C  23.165 0.300 2 
       149  14  14 LEU N    N 123.460 0.300 1 
       150  15  15 PHE H    H   8.985 0.020 1 
       151  15  15 PHE HA   H   3.557 0.020 1 
       152  15  15 PHE HB2  H   3.571 0.020 2 
       153  15  15 PHE HB3  H   3.237 0.020 2 
       154  15  15 PHE HD1  H   6.797 0.020 3 
       155  15  15 PHE HD2  H   6.797 0.020 3 
       156  15  15 PHE HE1  H   6.943 0.020 3 
       157  15  15 PHE HE2  H   6.943 0.020 3 
       158  15  15 PHE HZ   H   7.157 0.020 1 
       159  15  15 PHE C    C 179.476 0.300 1 
       160  15  15 PHE CA   C  62.487 0.300 1 
       161  15  15 PHE CB   C  40.120 0.300 1 
       162  15  15 PHE CG   C 138.701 0.300 1 
       163  15  15 PHE CD1  C 131.920 0.300 3 
       164  15  15 PHE CD2  C 131.920 0.300 3 
       165  15  15 PHE CE1  C 129.585 0.300 3 
       166  15  15 PHE CZ   C 128.088 0.300 1 
       167  15  15 PHE N    N 121.843 0.300 1 
       168  16  16 LYS H    H   8.502 0.020 1 
       169  16  16 LYS HA   H   3.999 0.020 1 
       170  16  16 LYS HB2  H   2.068 0.020 2 
       171  16  16 LYS HB3  H   2.035 0.020 2 
       172  16  16 LYS HG2  H   1.762 0.020 2 
       173  16  16 LYS HG3  H   1.640 0.020 2 
       174  16  16 LYS HD2  H   1.745 0.020 2 
       175  16  16 LYS HD3  H   1.680 0.020 2 
       176  16  16 LYS HE2  H   2.957 0.020 2 
       177  16  16 LYS HE3  H   2.881 0.020 2 
       178  16  16 LYS HZ   H   7.159 0.020 1 
       179  16  16 LYS C    C 177.626 0.300 1 
       180  16  16 LYS CA   C  59.436 0.300 1 
       181  16  16 LYS CB   C  32.441 0.300 1 
       182  16  16 LYS CG   C  26.252 0.300 1 
       183  16  16 LYS CD   C  29.326 0.300 1 
       184  16  16 LYS CE   C  42.006 0.300 1 
       185  16  16 LYS N    N 121.295 0.300 1 
       186  17  17 GLN H    H   7.364 0.020 1 
       187  17  17 GLN HA   H   4.199 0.020 1 
       188  17  17 GLN HB2  H   1.962 0.020 2 
       189  17  17 GLN HB3  H   1.932 0.020 2 
       190  17  17 GLN HG2  H   2.181 0.020 2 
       191  17  17 GLN HG3  H   2.127 0.020 2 
       192  17  17 GLN HE21 H   6.935 0.020 2 
       193  17  17 GLN HE22 H   6.729 0.020 2 
       194  17  17 GLN C    C 175.689 0.300 1 
       195  17  17 GLN CA   C  56.063 0.300 1 
       196  17  17 GLN CB   C  30.513 0.300 1 
       197  17  17 GLN CG   C  36.381 0.300 1 
       198  17  17 GLN N    N 115.857 0.300 1 
       199  17  17 GLN NE2  N 110.857 0.300 1 
       200  18  18 GLY H    H   7.582 0.020 1 
       201  18  18 GLY HA2  H   3.715 0.020 2 
       202  18  18 GLY HA3  H   2.588 0.020 2 
       203  18  18 GLY C    C 173.516 0.300 1 
       204  18  18 GLY CA   C  44.249 0.300 1 
       205  18  18 GLY N    N 107.534 0.300 1 
       206  19  19 LEU H    H   7.573 0.020 1 
       207  19  19 LEU HA   H   4.301 0.020 1 
       208  19  19 LEU HB2  H   1.475 0.020 2 
       209  19  19 LEU HB3  H   1.431 0.020 2 
       210  19  19 LEU HG   H   1.196 0.020 1 
       211  19  19 LEU HD1  H   0.704 0.020 1 
       212  19  19 LEU HD2  H   0.644 0.020 1 
       213  19  19 LEU C    C 176.754 0.300 1 
       214  19  19 LEU CA   C  52.527 0.300 1 
       215  19  19 LEU CB   C  38.627 0.300 1 
       216  19  19 LEU CG   C  26.810 0.300 1 
       217  19  19 LEU CD1  C  25.688 0.300 2 
       218  19  19 LEU CD2  C  23.093 0.300 2 
       219  19  19 LEU N    N 124.601 0.300 1 
       220  20  20 TYR H    H   6.591 0.020 1 
       221  20  20 TYR HA   H   3.983 0.020 1 
       222  20  20 TYR HB2  H   3.138 0.020 2 
       223  20  20 TYR HB3  H   2.604 0.020 2 
       224  20  20 TYR HD1  H   7.158 0.020 3 
       225  20  20 TYR HD2  H   7.158 0.020 3 
       226  20  20 TYR HE1  H   6.171 0.020 3 
       227  20  20 TYR HE2  H   6.126 0.020 3 
       228  20  20 TYR C    C 177.857 0.300 1 
       229  20  20 TYR CA   C  62.000 0.300 1 
       230  20  20 TYR CB   C  38.248 0.300 1 
       231  20  20 TYR CG   C 129.754 0.300 1 
       232  20  20 TYR CD1  C 131.704 0.300 3 
       233  20  20 TYR CD2  C 131.543 0.300 3 
       234  20  20 TYR CE1  C 119.571 0.300 3 
       235  20  20 TYR CE2  C 119.483 0.300 3 
       236  20  20 TYR CZ   C 157.187 0.300 1 
       237  20  20 TYR N    N 118.072 0.300 1 
       238  21  21 ARG H    H   8.985 0.020 1 
       239  21  21 ARG HA   H   3.782 0.020 1 
       240  21  21 ARG HB2  H   1.840 0.020 2 
       241  21  21 ARG HB3  H   1.714 0.020 2 
       242  21  21 ARG HG2  H   1.665 0.020 2 
       243  21  21 ARG HG3  H   1.640 0.020 2 
       244  21  21 ARG HD2  H   3.133 0.020 2 
       245  21  21 ARG HD3  H   3.096 0.020 2 
       246  21  21 ARG HE   H   7.160 0.020 1 
       247  21  21 ARG HH11 H   6.779 0.020 1 
       248  21  21 ARG HH12 H   6.779 0.020 1 
       249  21  21 ARG HH21 H   6.833 0.020 1 
       250  21  21 ARG HH22 H   6.833 0.020 1 
       251  21  21 ARG C    C 178.746 0.300 1 
       252  21  21 ARG CA   C  59.021 0.300 1 
       253  21  21 ARG CB   C  28.823 0.300 1 
       254  21  21 ARG CG   C  26.819 0.300 1 
       255  21  21 ARG CD   C  42.311 0.300 1 
       256  21  21 ARG N    N 120.158 0.300 1 
       257  22  22 GLU H    H   9.348 0.020 1 
       258  22  22 GLU HA   H   3.876 0.020 1 
       259  22  22 GLU HB2  H   2.017 0.024 2 
       260  22  22 GLU HB3  H   1.959 0.020 2 
       261  22  22 GLU HG2  H   2.423 0.020 2 
       262  22  22 GLU HG3  H   2.161 0.020 2 
       263  22  22 GLU C    C 179.814 0.300 1 
       264  22  22 GLU CA   C  60.310 0.300 1 
       265  22  22 GLU CB   C  28.482 0.300 1 
       266  22  22 GLU CG   C  37.287 0.300 1 
       267  22  22 GLU CD   C 183.078 0.300 1 
       268  22  22 GLU N    N 121.734 0.300 1 
       269  23  23 ALA H    H   8.264 0.020 1 
       270  23  23 ALA HA   H   3.655 0.020 1 
       271  23  23 ALA HB   H   1.459 0.020 1 
       272  23  23 ALA C    C 178.444 0.300 1 
       273  23  23 ALA CA   C  55.879 0.300 1 
       274  23  23 ALA CB   C  17.390 0.300 1 
       275  23  23 ALA N    N 123.058 0.300 1 
       276  24  24 VAL H    H   8.234 0.020 1 
       277  24  24 VAL HA   H   3.262 0.020 1 
       278  24  24 VAL HB   H   2.324 0.020 1 
       279  24  24 VAL HG1  H   1.130 0.020 1 
       280  24  24 VAL HG2  H   0.880 0.020 1 
       281  24  24 VAL C    C 176.345 0.300 1 
       282  24  24 VAL CA   C  68.490 0.300 1 
       283  24  24 VAL CB   C  30.985 0.300 1 
       284  24  24 VAL CG1  C  25.273 0.300 2 
       285  24  24 VAL CG2  C  22.313 0.300 2 
       286  24  24 VAL N    N 117.507 0.300 1 
       287  25  25 HIS H    H   7.294 0.020 1 
       288  25  25 HIS HA   H   4.399 0.020 1 
       289  25  25 HIS HB2  H   3.198 0.020 2 
       290  25  25 HIS HB3  H   3.119 0.020 2 
       291  25  25 HIS HD1  H   9.053 0.020 1 
       292  25  25 HIS HD2  H   6.911 0.020 1 
       293  25  25 HIS HE1  H   7.650 0.020 1 
       294  25  25 HIS C    C 178.924 0.300 1 
       295  25  25 HIS CA   C  59.774 0.300 1 
       296  25  25 HIS CB   C  29.991 0.300 1 
       297  25  25 HIS CG   C 134.162 0.300 1 
       298  25  25 HIS CD2  C 120.329 0.300 1 
       299  25  25 HIS CE1  C 138.440 0.300 1 
       300  25  25 HIS N    N 116.904 0.300 1 
       301  26  26 CYS H    H   7.161 0.020 1 
       302  26  26 CYS HA   H   4.026 0.020 1 
       303  26  26 CYS HB2  H   2.667 0.020 2 
       304  26  26 CYS HB3  H   2.634 0.020 2 
       305  26  26 CYS C    C 177.643 0.300 1 
       306  26  26 CYS CA   C  62.867 0.300 1 
       307  26  26 CYS CB   C  26.687 0.300 1 
       308  26  26 CYS N    N 117.282 0.300 1 
       309  27  27 TYR H    H   8.498 0.020 1 
       310  27  27 TYR HA   H   4.442 0.020 1 
       311  27  27 TYR HB2  H   3.274 0.027 2 
       312  27  27 TYR HB3  H   2.790 0.020 2 
       313  27  27 TYR HD1  H   6.826 0.020 3 
       314  27  27 TYR HD2  H   6.826 0.020 3 
       315  27  27 TYR HE1  H   6.773 0.020 3 
       316  27  27 TYR HE2  H   6.773 0.020 3 
       317  27  27 TYR C    C 178.266 0.300 1 
       318  27  27 TYR CA   C  58.078 0.300 1 
       319  27  27 TYR CB   C  36.156 0.300 1 
       320  27  27 TYR CG   C 129.131 0.300 1 
       321  27  27 TYR CD1  C 131.936 0.300 3 
       322  27  27 TYR CD2  C 131.847 0.300 3 
       323  27  27 TYR CE1  C 118.959 0.300 3 
       324  27  27 TYR CE2  C 118.882 0.300 3 
       325  27  27 TYR N    N 120.415 0.300 1 
       326  28  28 ASP H    H   9.234 0.020 1 
       327  28  28 ASP HA   H   4.477 0.020 1 
       328  28  28 ASP HB2  H   2.760 0.020 2 
       329  28  28 ASP HB3  H   2.427 0.020 2 
       330  28  28 ASP C    C 179.600 0.300 1 
       331  28  28 ASP CA   C  57.763 0.300 1 
       332  28  28 ASP CB   C  40.306 0.300 1 
       333  28  28 ASP CG   C 178.529 0.300 1 
       334  28  28 ASP N    N 121.296 0.300 1 
       335  29  29 GLN H    H   7.270 0.020 1 
       336  29  29 GLN HA   H   4.021 0.020 1 
       337  29  29 GLN HB2  H   2.193 0.020 2 
       338  29  29 GLN HB3  H   2.027 0.020 2 
       339  29  29 GLN HG2  H   2.343 0.020 2 
       340  29  29 GLN HG3  H   2.325 0.020 2 
       341  29  29 GLN HE21 H   6.912 0.020 2 
       342  29  29 GLN HE22 H   6.759 0.020 2 
       343  29  29 GLN C    C 179.529 0.300 1 
       344  29  29 GLN CA   C  58.311 0.300 1 
       345  29  29 GLN CB   C  27.942 0.300 1 
       346  29  29 GLN CG   C  34.124 0.300 1 
       347  29  29 GLN CD   C 179.778 0.300 1 
       348  29  29 GLN N    N 117.675 0.300 1 
       349  29  29 GLN NE2  N 112.832 0.300 1 
       350  30  30 LEU H    H   7.469 0.020 1 
       351  30  30 LEU HA   H   3.974 0.020 1 
       352  30  30 LEU HB2  H   2.134 0.020 2 
       353  30  30 LEU HB3  H   1.398 0.020 2 
       354  30  30 LEU HG   H   1.813 0.020 1 
       355  30  30 LEU HD1  H   0.587 0.020 1 
       356  30  30 LEU HD2  H  -0.110 0.020 1 
       357  30  30 LEU C    C 178.995 0.300 1 
       358  30  30 LEU CA   C  57.380 0.300 1 
       359  30  30 LEU CB   C  39.513 0.300 1 
       360  30  30 LEU CG   C  26.324 0.300 1 
       361  30  30 LEU CD1  C  25.957 0.300 2 
       362  30  30 LEU CD2  C  21.190 0.300 2 
       363  30  30 LEU N    N 119.697 0.300 1 
       364  31  31 ILE H    H   7.446 0.020 1 
       365  31  31 ILE HA   H   3.267 0.020 1 
       366  31  31 ILE HB   H   1.560 0.020 1 
       367  31  31 ILE HG12 H   1.163 0.020 2 
       368  31  31 ILE HG13 H  -0.406 0.020 2 
       369  31  31 ILE HG2  H   0.610 0.020 1 
       370  31  31 ILE HD1  H   0.426 0.020 1 
       371  31  31 ILE C    C 176.950 0.300 1 
       372  31  31 ILE CA   C  64.788 0.300 1 
       373  31  31 ILE CB   C  38.920 0.300 1 
       374  31  31 ILE CG1  C  29.152 0.300 1 
       375  31  31 ILE CG2  C  16.889 0.300 1 
       376  31  31 ILE CD1  C  15.711 0.300 1 
       377  31  31 ILE N    N 121.516 0.300 1 
       378  32  32 THR H    H   7.676 0.020 1 
       379  32  32 THR HA   H   3.782 0.020 1 
       380  32  32 THR HB   H   4.017 0.020 1 
       381  32  32 THR HG2  H   1.155 0.020 1 
       382  32  32 THR C    C 176.238 0.300 1 
       383  32  32 THR CA   C  65.698 0.300 1 
       384  32  32 THR CB   C  68.850 0.300 1 
       385  32  32 THR CG2  C  21.856 0.300 1 
       386  32  32 THR N    N 112.282 0.300 1 
       387  33  33 ALA H    H   7.646 0.020 1 
       388  33  33 ALA HA   H   4.178 0.020 1 
       389  33  33 ALA HB   H   1.694 0.020 1 
       390  33  33 ALA C    C 178.871 0.300 1 
       391  33  33 ALA CA   C  54.883 0.300 1 
       392  33  33 ALA CB   C  20.057 0.300 1 
       393  33  33 ALA N    N 121.426 0.300 1 
       394  34  34 GLN H    H   8.048 0.020 1 
       395  34  34 GLN HA   H   4.744 0.020 1 
       396  34  34 GLN HB2  H   2.054 0.020 2 
       397  34  34 GLN HB3  H   1.865 0.046 2 
       398  34  34 GLN HG2  H   2.283 0.020 2 
       399  34  34 GLN HG3  H   1.990 0.020 2 
       400  34  34 GLN HE21 H   7.061 0.020 2 
       401  34  34 GLN HE22 H   6.153 0.020 2 
       402  34  34 GLN CA   C  53.486 0.300 1 
       403  34  34 GLN CB   C  27.066 0.300 1 
       404  34  34 GLN CG   C  34.123 0.300 1 
       405  34  34 GLN CD   C 179.768 0.300 1 
       406  34  34 GLN N    N 114.926 0.300 1 
       407  34  34 GLN NE2  N 110.995 0.300 1 
       408  35  35 PRO HA   H   4.723 0.020 1 
       409  35  35 PRO HB2  H   2.417 0.020 2 
       410  35  35 PRO HB3  H   1.874 0.020 2 
       411  35  35 PRO HG2  H   2.051 0.020 2 
       412  35  35 PRO HG3  H   1.815 0.020 2 
       413  35  35 PRO HD2  H   3.510 0.020 2 
       414  35  35 PRO HD3  H   3.370 0.020 2 
       415  35  35 PRO C    C 177.981 0.300 1 
       416  35  35 PRO CA   C  64.335 0.300 1 
       417  35  35 PRO CB   C  31.994 0.300 1 
       418  35  35 PRO CG   C  26.971 0.300 1 
       419  35  35 PRO CD   C  50.005 0.300 1 
       420  36  36 GLN H    H   8.272 0.020 1 
       421  36  36 GLN HA   H   3.217 0.020 1 
       422  36  36 GLN HB2  H   1.904 0.020 2 
       423  36  36 GLN HB3  H   1.663 0.020 2 
       424  36  36 GLN HG2  H   1.989 0.020 2 
       425  36  36 GLN HG3  H   1.989 0.020 2 
       426  36  36 GLN HE21 H   7.403 0.020 2 
       427  36  36 GLN HE22 H   6.883 0.020 2 
       428  36  36 GLN C    C 173.890 0.300 1 
       429  36  36 GLN CA   C  53.960 0.300 1 
       430  36  36 GLN CB   C  27.369 0.300 1 
       431  36  36 GLN CG   C  34.128 0.300 1 
       432  36  36 GLN CD   C 180.952 0.300 1 
       433  36  36 GLN N    N 114.348 0.300 1 
       434  36  36 GLN NE2  N 111.846 0.300 1 
       435  37  37 ASN H    H   7.734 0.020 1 
       436  37  37 ASN HA   H   5.040 0.020 1 
       437  37  37 ASN HB2  H   3.540 0.020 2 
       438  37  37 ASN HB3  H   2.655 0.020 2 
       439  37  37 ASN HD21 H   7.194 0.020 2 
       440  37  37 ASN HD22 H   6.959 0.020 2 
       441  37  37 ASN CA   C  49.313 0.300 1 
       442  37  37 ASN CB   C  39.733 0.300 1 
       443  37  37 ASN CG   C 177.576 0.300 1 
       444  37  37 ASN N    N 120.336 0.300 1 
       445  37  37 ASN ND2  N 112.723 0.300 1 
       446  38  38 PRO HA   H   4.510 0.020 1 
       447  38  38 PRO HB2  H   2.207 0.020 2 
       448  38  38 PRO HB3  H   1.670 0.020 2 
       449  38  38 PRO HG2  H   1.536 0.020 2 
       450  38  38 PRO HG3  H   1.380 0.020 2 
       451  38  38 PRO HD2  H   3.844 0.020 2 
       452  38  38 PRO HD3  H   3.746 0.020 2 
       453  38  38 PRO C    C 177.323 0.300 1 
       454  38  38 PRO CA   C  64.596 0.300 1 
       455  38  38 PRO CB   C  32.984 0.300 1 
       456  38  38 PRO CG   C  26.811 0.300 1 
       457  38  38 PRO CD   C  50.445 0.300 1 
       458  39  39 VAL H    H   8.202 0.020 1 
       459  39  39 VAL HA   H   3.569 0.020 1 
       460  39  39 VAL HB   H   1.971 0.020 1 
       461  39  39 VAL HG1  H   0.949 0.020 1 
       462  39  39 VAL HG2  H   0.786 0.020 1 
       463  39  39 VAL C    C 176.871 0.300 1 
       464  39  39 VAL CA   C  66.630 0.300 1 
       465  39  39 VAL CB   C  31.687 0.300 1 
       466  39  39 VAL CG1  C  23.673 0.300 2 
       467  39  39 VAL CG2  C  20.715 0.300 2 
       468  39  39 VAL N    N 119.228 0.300 1 
       469  40  40 GLY H    H   7.175 0.020 1 
       470  40  40 GLY HA2  H   3.879 0.020 2 
       471  40  40 GLY HA3  H   3.238 0.020 2 
       472  40  40 GLY C    C 174.495 0.300 1 
       473  40  40 GLY CA   C  48.480 0.300 1 
       474  40  40 GLY N    N 106.132 0.300 1 
       475  41  41 TYR H    H   6.328 0.020 1 
       476  41  41 TYR HA   H   3.837 0.020 1 
       477  41  41 TYR HB2  H   3.404 0.020 2 
       478  41  41 TYR HB3  H   2.676 0.020 2 
       479  41  41 TYR HD1  H   7.417 0.020 3 
       480  41  41 TYR HD2  H   7.417 0.020 3 
       481  41  41 TYR HE1  H   6.810 0.020 3 
       482  41  41 TYR HE2  H   6.810 0.020 3 
       483  41  41 TYR C    C 177.498 0.300 1 
       484  41  41 TYR CA   C  61.337 0.300 1 
       485  41  41 TYR CB   C  38.178 0.300 1 
       486  41  41 TYR CG   C 130.077 0.300 1 
       487  41  41 TYR CD1  C 133.302 0.300 3 
       488  41  41 TYR CD2  C 133.232 0.300 3 
       489  41  41 TYR CE1  C 119.251 0.300 3 
       490  41  41 TYR CE2  C 119.123 0.300 3 
       491  41  41 TYR CZ   C 157.462 0.300 1 
       492  41  41 TYR N    N 117.122 0.300 1 
       493  42  42 SER H    H   8.023 0.020 1 
       494  42  42 SER HA   H   3.829 0.020 1 
       495  42  42 SER HB2  H   3.858 0.020 2 
       496  42  42 SER HB3  H   3.463 0.020 2 
       497  42  42 SER C    C 178.515 0.300 1 
       498  42  42 SER CA   C  61.704 0.300 1 
       499  42  42 SER CB   C  63.520 0.300 1 
       500  42  42 SER N    N 111.460 0.300 1 
       501  43  43 ASN H    H   8.359 0.020 1 
       502  43  43 ASN HA   H   3.791 0.020 1 
       503  43  43 ASN HB2  H   1.669 0.020 2 
       504  43  43 ASN HB3  H   0.932 0.020 2 
       505  43  43 ASN C    C 176.131 0.300 1 
       506  43  43 ASN CA   C  55.222 0.300 1 
       507  43  43 ASN CB   C  33.001 0.300 1 
       508  43  43 ASN CG   C 175.811 0.300 1 
       509  43  43 ASN N    N 120.253 0.300 1 
       510  44  44 LYS H    H   7.835 0.020 1 
       511  44  44 LYS HA   H   3.839 0.020 1 
       512  44  44 LYS HB2  H   1.911 0.020 2 
       513  44  44 LYS HB3  H   1.869 0.020 2 
       514  44  44 LYS HG2  H   1.471 0.020 2 
       515  44  44 LYS HG3  H   1.437 0.020 2 
       516  44  44 LYS HD2  H   1.877 0.020 2 
       517  44  44 LYS HD3  H   1.690 0.020 2 
       518  44  44 LYS HE2  H   2.856 0.020 2 
       519  44  44 LYS HE3  H   2.826 0.020 2 
       520  44  44 LYS HZ   H   8.201 0.020 1 
       521  44  44 LYS C    C 177.626 0.300 1 
       522  44  44 LYS CA   C  61.127 0.300 1 
       523  44  44 LYS CB   C  33.568 0.300 1 
       524  44  44 LYS CG   C  26.819 0.300 1 
       525  44  44 LYS CD   C  30.338 0.300 1 
       526  44  44 LYS CE   C  42.562 0.300 1 
       527  44  44 LYS N    N 119.155 0.300 1 
       528  45  45 ALA H    H   8.640 0.020 1 
       529  45  45 ALA HA   H   3.838 0.020 1 
       530  45  45 ALA HB   H   1.489 0.020 1 
       531  45  45 ALA C    C 178.800 0.300 1 
       532  45  45 ALA CA   C  56.072 0.300 1 
       533  45  45 ALA CB   C  19.765 0.300 1 
       534  45  45 ALA N    N 118.454 0.300 1 
       535  46  46 MET H    H   7.343 0.020 1 
       536  46  46 MET HA   H   4.622 0.050 1 
       537  46  46 MET HB2  H   2.764 0.020 2 
       538  46  46 MET HB3  H   2.453 0.020 2 
       539  46  46 MET HG2  H   2.113 0.020 2 
       540  46  46 MET HG3  H   2.005 0.020 2 
       541  46  46 MET HE   H   2.222 0.020 1 
       542  46  46 MET C    C 177.893 0.300 1 
       543  46  46 MET CA   C  56.836 0.300 1 
       544  46  46 MET CB   C  33.782 0.300 1 
       545  46  46 MET CG   C  28.250 0.300 1 
       546  46  46 MET CE   C  20.689 0.300 1 
       547  46  46 MET N    N 115.197 0.300 1 
       548  47  47 ALA H    H   7.861 0.020 1 
       549  47  47 ALA HA   H   4.057 0.020 1 
       550  47  47 ALA HB   H   1.816 0.020 1 
       551  47  47 ALA C    C 178.124 0.300 1 
       552  47  47 ALA CA   C  55.954 0.300 1 
       553  47  47 ALA CB   C  18.900 0.300 1 
       554  47  47 ALA N    N 120.633 0.300 1 
       555  48  48 LEU H    H   8.540 0.020 1 
       556  48  48 LEU HA   H   3.883 0.020 1 
       557  48  48 LEU HB2  H   1.872 0.020 2 
       558  48  48 LEU HB3  H   1.631 0.020 2 
       559  48  48 LEU HG   H   1.830 0.020 1 
       560  48  48 LEU HD1  H   0.696 0.020 1 
       561  48  48 LEU HD2  H   0.831 0.020 1 
       562  48  48 LEU C    C 179.867 0.300 1 
       563  48  48 LEU CA   C  57.917 0.300 1 
       564  48  48 LEU CB   C  40.930 0.300 1 
       565  48  48 LEU CG   C  26.250 0.300 1 
       566  48  48 LEU CD1  C  27.379 0.300 2 
       567  48  48 LEU CD2  C  21.914 0.300 2 
       568  48  48 LEU N    N 116.244 0.300 1 
       569  49  49 ILE H    H   8.306 0.020 1 
       570  49  49 ILE HA   H   3.209 0.020 1 
       571  49  49 ILE HB   H   2.105 0.020 1 
       572  49  49 ILE HG12 H   1.865 0.020 2 
       573  49  49 ILE HG13 H   0.783 0.020 2 
       574  49  49 ILE HG2  H   0.919 0.020 1 
       575  49  49 ILE HD1  H   0.972 0.020 1 
       576  49  49 ILE C    C 179.582 0.300 1 
       577  49  49 ILE CA   C  66.689 0.300 1 
       578  49  49 ILE CB   C  37.622 0.300 1 
       579  49  49 ILE CG1  C  31.696 0.300 1 
       580  49  49 ILE CG2  C  17.668 0.300 1 
       581  49  49 ILE CD1  C  14.181 0.300 1 
       582  49  49 ILE N    N 121.730 0.300 1 
       583  50  50 LYS H    H   7.474 0.020 1 
       584  50  50 LYS HA   H   3.759 0.020 1 
       585  50  50 LYS HB2  H   1.153 0.020 2 
       586  50  50 LYS HB3  H   0.532 0.020 2 
       587  50  50 LYS HG2  H   1.481 0.020 2 
       588  50  50 LYS HG3  H   1.138 0.020 2 
       589  50  50 LYS HD2  H   1.301 0.020 2 
       590  50  50 LYS HD3  H   1.301 0.020 2 
       591  50  50 LYS HE2  H   2.866 0.020 2 
       592  50  50 LYS HE3  H   2.721 0.020 2 
       593  50  50 LYS HZ   H   7.098 0.020 1 
       594  50  50 LYS C    C 178.391 0.300 1 
       595  50  50 LYS CA   C  56.681 0.300 1 
       596  50  50 LYS CB   C  28.936 0.300 1 
       597  50  50 LYS CG   C  24.566 0.300 1 
       598  50  50 LYS CD   C  27.006 0.300 1 
       599  50  50 LYS CE   C  41.802 0.300 1 
       600  50  50 LYS N    N 119.765 0.300 1 
       601  51  51 LEU H    H   7.082 0.020 1 
       602  51  51 LEU HA   H   4.171 0.020 1 
       603  51  51 LEU HB2  H   1.763 0.020 2 
       604  51  51 LEU HB3  H   1.615 0.020 2 
       605  51  51 LEU HG   H   1.599 0.020 1 
       606  51  51 LEU HD1  H   0.657 0.020 1 
       607  51  51 LEU HD2  H   1.035 0.020 1 
       608  51  51 LEU C    C 176.818 0.300 1 
       609  51  51 LEU CA   C  54.927 0.300 1 
       610  51  51 LEU CB   C  43.895 0.300 1 
       611  51  51 LEU CG   C  26.593 0.300 1 
       612  51  51 LEU CD1  C  25.211 0.300 2 
       613  51  51 LEU CD2  C  23.407 0.300 2 
       614  51  51 LEU N    N 117.367 0.300 1 
       615  52  52 GLY H    H   7.652 0.020 1 
       616  52  52 GLY HA2  H   3.826 0.020 2 
       617  52  52 GLY HA3  H   2.778 0.020 2 
       618  52  52 GLY C    C 174.281 0.300 1 
       619  52  52 GLY CA   C  44.817 0.300 1 
       620  52  52 GLY N    N 108.877 0.300 1 
       621  53  53 GLU H    H   7.791 0.020 1 
       622  53  53 GLU HA   H   4.453 0.020 1 
       623  53  53 GLU HB2  H   2.022 0.020 2 
       624  53  53 GLU HB3  H   1.566 0.020 2 
       625  53  53 GLU HG2  H   2.062 0.020 2 
       626  53  53 GLU HG3  H   1.928 0.020 2 
       627  53  53 GLU C    C 177.039 0.300 1 
       628  53  53 GLU CA   C  53.257 0.300 1 
       629  53  53 GLU CB   C  27.381 0.300 1 
       630  53  53 GLU CG   C  34.330 0.300 1 
       631  53  53 GLU CD   C 183.158 0.300 1 
       632  53  53 GLU N    N 122.628 0.300 1 
       633  54  54 TYR H    H   6.984 0.020 1 
       634  54  54 TYR HA   H   3.931 0.020 1 
       635  54  54 TYR HB2  H   3.205 0.020 2 
       636  54  54 TYR HB3  H   2.760 0.020 2 
       637  54  54 TYR HD1  H   6.942 0.020 3 
       638  54  54 TYR HD2  H   6.942 0.020 3 
       639  54  54 TYR HE1  H   6.832 0.020 3 
       640  54  54 TYR HE2  H   6.832 0.020 3 
       641  54  54 TYR C    C 177.893 0.300 1 
       642  54  54 TYR CA   C  61.966 0.300 1 
       643  54  54 TYR CB   C  38.239 0.300 1 
       644  54  54 TYR CG   C 129.780 0.300 1 
       645  54  54 TYR CD1  C 131.866 0.300 3 
       646  54  54 TYR CD2  C 131.998 0.300 3 
       647  54  54 TYR CE1  C 119.559 0.300 3 
       648  54  54 TYR CE2  C 119.680 0.300 3 
       649  54  54 TYR CZ   C 157.725 0.300 1 
       650  54  54 TYR N    N 118.990 0.300 1 
       651  55  55 THR H    H   8.602 0.020 1 
       652  55  55 THR HA   H   3.889 0.020 1 
       653  55  55 THR HB   H   4.152 0.020 1 
       654  55  55 THR HG2  H   1.242 0.020 1 
       655  55  55 THR C    C 177.768 0.300 1 
       656  55  55 THR CA   C  67.139 0.300 1 
       657  55  55 THR CB   C  67.875 0.300 1 
       658  55  55 THR CG2  C  22.204 0.300 1 
       659  55  55 THR N    N 114.598 0.300 1 
       660  56  56 GLN H    H   8.351 0.020 1 
       661  56  56 GLN HA   H   4.150 0.023 1 
       662  56  56 GLN HB2  H   2.121 0.025 2 
       663  56  56 GLN HB3  H   1.998 0.020 2 
       664  56  56 GLN HG2  H   2.541 0.020 2 
       665  56  56 GLN HG3  H   2.337 0.020 2 
       666  56  56 GLN HE21 H   7.319 0.020 2 
       667  56  56 GLN HE22 H   6.818 0.020 2 
       668  56  56 GLN C    C 178.622 0.300 1 
       669  56  56 GLN CA   C  59.001 0.300 1 
       670  56  56 GLN CB   C  29.619 0.300 1 
       671  56  56 GLN CG   C  34.935 0.300 1 
       672  56  56 GLN CD   C 179.566 0.300 1 
       673  56  56 GLN N    N 121.732 0.300 1 
       674  56  56 GLN NE2  N 111.404 0.300 1 
       675  57  57 ALA H    H   8.315 0.020 1 
       676  57  57 ALA HA   H   3.840 0.020 1 
       677  57  57 ALA HB   H   1.519 0.020 1 
       678  57  57 ALA C    C 179.582 0.300 1 
       679  57  57 ALA CA   C  56.272 0.300 1 
       680  57  57 ALA CB   C  18.493 0.300 1 
       681  57  57 ALA N    N 122.609 0.300 1 
       682  58  58 ILE H    H   8.391 0.020 1 
       683  58  58 ILE HA   H   3.363 0.020 1 
       684  58  58 ILE HB   H   1.975 0.020 1 
       685  58  58 ILE HG12 H   2.030 0.020 2 
       686  58  58 ILE HG13 H   0.835 0.020 2 
       687  58  58 ILE HG2  H   0.780 0.020 1 
       688  58  58 ILE HD1  H   0.765 0.020 1 
       689  58  58 ILE C    C 177.483 0.300 1 
       690  58  58 ILE CA   C  66.744 0.300 1 
       691  58  58 ILE CB   C  38.739 0.300 1 
       692  58  58 ILE CG1  C  30.822 0.300 1 
       693  58  58 ILE CG2  C  16.227 0.300 1 
       694  58  58 ILE CD1  C  14.446 0.300 1 
       695  58  58 ILE N    N 119.779 0.300 1 
       696  59  59 GLN H    H   7.208 0.020 1 
       697  59  59 GLN HA   H   4.057 0.020 1 
       698  59  59 GLN HB2  H   2.250 0.020 2 
       699  59  59 GLN HB3  H   2.120 0.020 2 
       700  59  59 GLN HG2  H   2.514 0.020 2 
       701  59  59 GLN HG3  H   2.365 0.026 2 
       702  59  59 GLN HE21 H   7.416 0.020 2 
       703  59  59 GLN HE22 H   6.819 0.020 2 
       704  59  59 GLN C    C 179.227 0.300 1 
       705  59  59 GLN CA   C  59.079 0.300 1 
       706  59  59 GLN CB   C  28.172 0.300 1 
       707  59  59 GLN CG   C  33.952 0.300 1 
       708  59  59 GLN CD   C 179.671 0.300 1 
       709  59  59 GLN N    N 117.443 0.300 1 
       710  59  59 GLN NE2  N 111.847 0.300 1 
       711  60  60 MET H    H   8.187 0.020 1 
       712  60  60 MET HA   H   4.627 0.020 1 
       713  60  60 MET HB2  H   2.427 0.020 2 
       714  60  60 MET HB3  H   2.394 0.020 2 
       715  60  60 MET HG2  H   2.763 0.020 2 
       716  60  60 MET HG3  H   2.444 0.020 2 
       717  60  60 MET HE   H   2.275 0.020 1 
       718  60  60 MET C    C 178.889 0.300 1 
       719  60  60 MET CA   C  56.636 0.300 1 
       720  60  60 MET CB   C  35.250 0.300 1 
       721  60  60 MET CG   C  33.601 0.300 1 
       722  60  60 MET CE   C  20.677 0.300 1 
       723  60  60 MET N    N 116.571 0.300 1 
       724  61  61 CYS H    H   8.547 0.020 1 
       725  61  61 CYS HA   H   4.137 0.020 1 
       726  61  61 CYS HB2  H   3.149 0.020 2 
       727  61  61 CYS HB3  H   2.491 0.020 2 
       728  61  61 CYS C    C 176.630 0.300 1 
       729  61  61 CYS CA   C  63.877 0.300 1 
       730  61  61 CYS CB   C  27.944 0.300 1 
       731  61  61 CYS N    N 118.502 0.300 1 
       732  62  62 GLN H    H   8.387 0.020 1 
       733  62  62 GLN HA   H   3.876 0.020 1 
       734  62  62 GLN HB2  H   2.113 0.020 2 
       735  62  62 GLN HB3  H   1.821 0.020 2 
       736  62  62 GLN HG2  H   2.299 0.020 2 
       737  62  62 GLN HG3  H   2.261 0.020 2 
       738  62  62 GLN HE21 H   7.123 0.020 2 
       739  62  62 GLN HE22 H   6.655 0.020 2 
       740  62  62 GLN C    C 179.156 0.300 1 
       741  62  62 GLN CA   C  59.076 0.300 1 
       742  62  62 GLN CB   C  27.665 0.300 1 
       743  62  62 GLN CG   C  34.328 0.300 1 
       744  62  62 GLN CD   C 179.587 0.300 1 
       745  62  62 GLN N    N 116.785 0.300 1 
       746  62  62 GLN NE2  N 110.292 0.300 1 
       747  63  63 GLN H    H   7.867 0.020 1 
       748  63  63 GLN HA   H   3.670 0.020 1 
       749  63  63 GLN HB2  H   1.932 0.020 2 
       750  63  63 GLN HB3  H   1.918 0.020 2 
       751  63  63 GLN HG2  H   2.385 0.020 2 
       752  63  63 GLN HG3  H   2.288 0.020 2 
       753  63  63 GLN HE21 H   7.231 0.020 2 
       754  63  63 GLN HE22 H   6.837 0.020 2 
       755  63  63 GLN C    C 177.687 0.300 1 
       756  63  63 GLN CA   C  58.626 0.300 1 
       757  63  63 GLN CB   C  27.577 0.300 1 
       758  63  63 GLN CG   C  34.128 0.300 1 
       759  63  63 GLN CD   C 179.494 0.300 1 
       760  63  63 GLN N    N 117.337 0.300 1 
       761  63  63 GLN NE2  N 111.304 0.300 1 
       762  64  64 GLY H    H   8.208 0.020 1 
       763  64  64 GLY HA2  H   3.300 0.020 2 
       764  64  64 GLY HA3  H   3.221 0.020 2 
       765  64  64 GLY C    C 175.420 0.300 1 
       766  64  64 GLY CA   C  47.792 0.300 1 
       767  64  64 GLY N    N 104.595 0.300 1 
       768  65  65 LEU H    H   8.021 0.020 1 
       769  65  65 LEU HA   H   4.068 0.020 1 
       770  65  65 LEU HB2  H   1.724 0.020 2 
       771  65  65 LEU HB3  H   1.299 0.020 2 
       772  65  65 LEU HG   H   1.676 0.020 1 
       773  65  65 LEU HD1  H   0.652 0.020 1 
       774  65  65 LEU HD2  H   0.940 0.020 1 
       775  65  65 LEU C    C 179.476 0.300 1 
       776  65  65 LEU CA   C  56.789 0.300 1 
       777  65  65 LEU CB   C  42.001 0.300 1 
       778  65  65 LEU CG   C  28.305 0.300 1 
       779  65  65 LEU CD1  C  25.421 0.300 2 
       780  65  65 LEU CD2  C  24.990 0.300 2 
       781  65  65 LEU N    N 119.041 0.300 1 
       782  66  66 ARG H    H   7.091 0.020 1 
       783  66  66 ARG HA   H   3.791 0.020 1 
       784  66  66 ARG HB2  H   1.188 0.020 2 
       785  66  66 ARG HB3  H   0.999 0.020 2 
       786  66  66 ARG HG2  H   1.580 0.020 2 
       787  66  66 ARG HG3  H   1.260 0.020 2 
       788  66  66 ARG HD2  H   2.899 0.020 2 
       789  66  66 ARG HD3  H   2.758 0.020 2 
       790  66  66 ARG C    C 177.555 0.300 1 
       791  66  66 ARG CA   C  58.313 0.300 1 
       792  66  66 ARG CB   C  29.392 0.300 1 
       793  66  66 ARG CG   C  26.816 0.300 1 
       794  66  66 ARG CD   C  43.176 0.300 1 
       795  66  66 ARG N    N 118.434 0.300 1 
       796  67  67 TYR H    H   7.219 0.020 1 
       797  67  67 TYR HA   H   4.855 0.020 1 
       798  67  67 TYR HB2  H   3.601 0.020 2 
       799  67  67 TYR HB3  H   2.268 0.020 2 
       800  67  67 TYR HD1  H   6.837 0.020 3 
       801  67  67 TYR HD2  H   6.837 0.020 3 
       802  67  67 TYR HE1  H   6.531 0.020 3 
       803  67  67 TYR HE2  H   6.531 0.020 3 
       804  67  67 TYR C    C 175.635 0.300 1 
       805  67  67 TYR CA   C  57.187 0.300 1 
       806  67  67 TYR CB   C  39.373 0.300 1 
       807  67  67 TYR CG   C 129.450 0.300 1 
       808  67  67 TYR CD1  C 132.520 0.300 3 
       809  67  67 TYR CD2  C 132.434 0.300 3 
       810  67  67 TYR CE1  C 118.729 0.300 3 
       811  67  67 TYR CE2  C 118.591 0.300 3 
       812  67  67 TYR CZ   C 158.050 0.300 1 
       813  67  67 TYR N    N 116.565 0.300 1 
       814  68  68 THR H    H   7.163 0.020 1 
       815  68  68 THR HA   H   4.555 0.020 1 
       816  68  68 THR HB   H   4.531 0.020 1 
       817  68  68 THR HG2  H   0.985 0.020 1 
       818  68  68 THR CA   C  59.995 0.300 1 
       819  68  68 THR CB   C  69.590 0.300 1 
       820  68  68 THR CG2  C  21.990 0.300 1 
       821  68  68 THR N    N 106.405 0.300 1 
       822  69  69 SER HA   H   4.466 0.020 1 
       823  69  69 SER HB2  H   4.013 0.020 2 
       824  69  69 SER HB3  H   3.879 0.020 2 
       825  69  69 SER C    C 174.525 0.300 1 
       826  69  69 SER CA   C  59.428 0.300 1 
       827  69  69 SER CB   C  63.937 0.300 1 
       828  70  70 THR H    H   7.954 0.020 1 
       829  70  70 THR HA   H   4.477 0.020 1 
       830  70  70 THR HB   H   4.470 0.020 1 
       831  70  70 THR HG2  H   1.212 0.020 1 
       832  70  70 THR CA   C  61.211 0.300 1 
       833  70  70 THR CB   C  70.262 0.300 1 
       834  70  70 THR CG2  C  21.966 0.300 1 
       835  70  70 THR N    N 111.406 0.300 1 
       836  71  71 ALA HA   H   4.162 0.020 1 
       837  71  71 ALA HB   H   1.374 0.020 1 
       838  71  71 ALA C    C 178.995 0.300 1 
       839  71  71 ALA CA   C  54.373 0.300 1 
       840  71  71 ALA CB   C  19.072 0.300 1 
       841  72  72 GLU H    H   8.324 0.020 1 
       842  72  72 GLU HA   H   4.119 0.020 1 
       843  72  72 GLU HB2  H   1.696 0.020 2 
       844  72  72 GLU HB3  H   1.634 0.020 2 
       845  72  72 GLU HG2  H   1.848 0.020 2 
       846  72  72 GLU HG3  H   1.771 0.020 2 
       847  72  72 GLU C    C 176.736 0.300 1 
       848  72  72 GLU CA   C  57.758 0.300 1 
       849  72  72 GLU CB   C  29.630 0.300 1 
       850  72  72 GLU CG   C  35.696 0.300 1 
       851  72  72 GLU CD   C 184.117 0.300 1 
       852  72  72 GLU N    N 117.465 0.300 1 
       853  73  73 HIS H    H   7.674 0.020 1 
       854  73  73 HIS HA   H   4.965 0.020 1 
       855  73  73 HIS HB2  H   3.301 0.020 2 
       856  73  73 HIS HB3  H   2.935 0.020 2 
       857  73  73 HIS HD1  H  10.618 0.020 1 
       858  73  73 HIS HD2  H   6.941 0.020 1 
       859  73  73 HIS HE1  H   7.688 0.020 1 
       860  73  73 HIS C    C 175.491 0.300 1 
       861  73  73 HIS CA   C  55.709 0.300 1 
       862  73  73 HIS CB   C  31.628 0.300 1 
       863  73  73 HIS CG   C 135.190 0.300 1 
       864  73  73 HIS CD2  C 119.662 0.300 1 
       865  73  73 HIS CE1  C 138.657 0.300 1 
       866  73  73 HIS N    N 116.692 0.300 1 
       867  74  74 VAL H    H   7.334 0.020 1 
       868  74  74 VAL HA   H   3.622 0.020 1 
       869  74  74 VAL HB   H   2.056 0.020 1 
       870  74  74 VAL HG1  H   1.024 0.020 1 
       871  74  74 VAL HG2  H   0.957 0.020 1 
       872  74  74 VAL C    C 177.626 0.300 1 
       873  74  74 VAL CA   C  66.748 0.300 1 
       874  74  74 VAL CB   C  31.874 0.300 1 
       875  74  74 VAL CG1  C  22.206 0.300 2 
       876  74  74 VAL CG2  C  20.652 0.300 2 
       877  74  74 VAL N    N 119.451 0.300 1 
       878  75  75 ALA H    H   8.571 0.020 1 
       879  75  75 ALA HA   H   4.207 0.020 1 
       880  75  75 ALA HB   H   1.404 0.020 1 
       881  75  75 ALA C    C 181.041 0.300 1 
       882  75  75 ALA CA   C  55.512 0.300 1 
       883  75  75 ALA CB   C  17.816 0.300 1 
       884  75  75 ALA N    N 123.247 0.300 1 
       885  76  76 ILE H    H   8.097 0.020 1 
       886  76  76 ILE HA   H   3.898 0.020 1 
       887  76  76 ILE HB   H   1.893 0.020 1 
       888  76  76 ILE HG12 H   1.502 0.020 2 
       889  76  76 ILE HG13 H   1.306 0.020 2 
       890  76  76 ILE HG2  H   0.929 0.020 1 
       891  76  76 ILE HD1  H   0.767 0.020 1 
       892  76  76 ILE C    C 177.501 0.300 1 
       893  76  76 ILE CA   C  63.166 0.300 1 
       894  76  76 ILE CB   C  37.500 0.300 1 
       895  76  76 ILE CG1  C  29.456 0.300 1 
       896  76  76 ILE CG2  C  18.324 0.300 1 
       897  76  76 ILE CD1  C  12.909 0.300 1 
       898  76  76 ILE N    N 119.817 0.300 1 
       899  77  77 ARG H    H   8.769 0.020 1 
       900  77  77 ARG HA   H   3.874 0.020 1 
       901  77  77 ARG HB2  H   2.093 0.020 2 
       902  77  77 ARG HB3  H   1.940 0.020 2 
       903  77  77 ARG HG2  H   1.648 0.020 2 
       904  77  77 ARG HG3  H   1.452 0.020 2 
       905  77  77 ARG HD2  H   3.122 0.020 2 
       906  77  77 ARG HD3  H   3.116 0.020 2 
       907  77  77 ARG C    C 177.946 0.300 1 
       908  77  77 ARG CA   C  60.030 0.300 1 
       909  77  77 ARG CB   C  30.204 0.300 1 
       910  77  77 ARG CG   C  27.020 0.300 1 
       911  77  77 ARG CD   C  43.839 0.300 1 
       912  77  77 ARG N    N 123.707 0.300 1 
       913  78  78 SER H    H   7.826 0.020 1 
       914  78  78 SER HA   H   4.269 0.020 1 
       915  78  78 SER HB2  H   3.998 0.020 2 
       916  78  78 SER HB3  H   3.917 0.020 2 
       917  78  78 SER C    C 177.483 0.300 1 
       918  78  78 SER CA   C  61.802 0.300 1 
       919  78  78 SER CB   C  62.458 0.300 1 
       920  78  78 SER N    N 113.043 0.300 1 
       921  79  79 LYS H    H   7.463 0.020 1 
       922  79  79 LYS HA   H   4.295 0.020 1 
       923  79  79 LYS HB2  H   2.034 0.020 2 
       924  79  79 LYS HB3  H   1.403 0.020 2 
       925  79  79 LYS HG2  H   1.276 0.020 2 
       926  79  79 LYS HG3  H   1.196 0.020 2 
       927  79  79 LYS HD2  H   1.676 0.020 2 
       928  79  79 LYS HD3  H   1.484 0.020 2 
       929  79  79 LYS HE2  H   2.838 0.020 2 
       930  79  79 LYS HE3  H   2.648 0.020 2 
       931  79  79 LYS HZ   H   7.036 0.020 1 
       932  79  79 LYS C    C 179.102 0.300 1 
       933  79  79 LYS CA   C  60.450 0.300 1 
       934  79  79 LYS CB   C  33.081 0.300 1 
       935  79  79 LYS CG   C  26.469 0.300 1 
       936  79  79 LYS CD   C  30.379 0.300 1 
       937  79  79 LYS CE   C  41.776 0.300 1 
       938  79  79 LYS N    N 122.342 0.300 1 
       939  80  80 LEU H    H   8.713 0.020 1 
       940  80  80 LEU HA   H   3.828 0.020 1 
       941  80  80 LEU HB2  H   2.228 0.020 2 
       942  80  80 LEU HB3  H   1.200 0.020 2 
       943  80  80 LEU HG   H   1.728 0.020 1 
       944  80  80 LEU HD1  H   0.716 0.020 1 
       945  80  80 LEU HD2  H   1.005 0.020 1 
       946  80  80 LEU C    C 178.693 0.300 1 
       947  80  80 LEU CA   C  59.006 0.300 1 
       948  80  80 LEU CB   C  42.697 0.300 1 
       949  80  80 LEU CG   C  27.936 0.300 1 
       950  80  80 LEU CD1  C  26.908 0.300 2 
       951  80  80 LEU CD2  C  25.179 0.300 2 
       952  80  80 LEU N    N 121.396 0.300 1 
       953  81  81 GLN H    H   8.519 0.020 1 
       954  81  81 GLN HA   H   3.876 0.020 1 
       955  81  81 GLN HB2  H   2.245 0.020 2 
       956  81  81 GLN HB3  H   2.004 0.020 2 
       957  81  81 GLN HG2  H   2.512 0.020 2 
       958  81  81 GLN HG3  H   2.376 0.020 2 
       959  81  81 GLN HE21 H   7.797 0.020 2 
       960  81  81 GLN HE22 H   6.606 0.020 2 
       961  81  81 GLN C    C 177.875 0.300 1 
       962  81  81 GLN CA   C  58.920 0.300 1 
       963  81  81 GLN CB   C  28.496 0.300 1 
       964  81  81 GLN CG   C  33.817 0.300 1 
       965  81  81 GLN CD   C 180.512 0.300 1 
       966  81  81 GLN N    N 118.209 0.300 1 
       967  81  81 GLN NE2  N 111.845 0.300 1 
       968  82  82 TYR H    H   7.950 0.020 1 
       969  82  82 TYR HA   H   4.176 0.030 1 
       970  82  82 TYR HB2  H   3.270 0.020 2 
       971  82  82 TYR HB3  H   3.212 0.020 2 
       972  82  82 TYR HD1  H   6.986 0.020 3 
       973  82  82 TYR HD2  H   6.986 0.020 3 
       974  82  82 TYR HE1  H   6.697 0.020 3 
       975  82  82 TYR HE2  H   6.697 0.020 3 
       976  82  82 TYR C    C 178.426 0.300 1 
       977  82  82 TYR CA   C  61.132 0.300 1 
       978  82  82 TYR CB   C  39.197 0.300 1 
       979  82  82 TYR CG   C 130.399 0.300 1 
       980  82  82 TYR CD1  C 133.618 0.300 3 
       981  82  82 TYR CD2  C 133.502 0.300 3 
       982  82  82 TYR CE1  C 118.055 0.300 3 
       983  82  82 TYR CE2  C 117.978 0.300 3 
       984  82  82 TYR CZ   C 157.565 0.300 1 
       985  82  82 TYR N    N 120.408 0.300 1 
       986  83  83 ARG H    H   8.687 0.020 1 
       987  83  83 ARG HA   H   3.683 0.020 1 
       988  83  83 ARG HB2  H   2.162 0.020 2 
       989  83  83 ARG HB3  H   1.957 0.020 2 
       990  83  83 ARG HG2  H   1.812 0.020 2 
       991  83  83 ARG HG3  H   1.640 0.020 2 
       992  83  83 ARG HD2  H   2.915 0.020 2 
       993  83  83 ARG HD3  H   2.854 0.020 2 
       994  83  83 ARG C    C 175.971 0.300 1 
       995  83  83 ARG CA   C  58.872 0.300 1 
       996  83  83 ARG CB   C  30.690 0.300 1 
       997  83  83 ARG CG   C  29.838 0.300 1 
       998  83  83 ARG CD   C  43.580 0.300 1 
       999  83  83 ARG N    N 120.197 0.300 1 
      1000  84  84 LEU H    H   8.396 0.020 1 
      1001  84  84 LEU HA   H   3.889 0.020 1 
      1002  84  84 LEU HB2  H   2.068 0.020 2 
      1003  84  84 LEU HB3  H   1.336 0.020 2 
      1004  84  84 LEU HG   H   1.439 0.020 1 
      1005  84  84 LEU HD1  H   0.770 0.020 1 
      1006  84  84 LEU HD2  H   0.923 0.020 1 
      1007  84  84 LEU C    C 177.999 0.300 1 
      1008  84  84 LEU CA   C  58.568 0.300 1 
      1009  84  84 LEU CB   C  42.067 0.300 1 
      1010  84  84 LEU CG   C  27.211 0.300 1 
      1011  84  84 LEU CD1  C  26.252 0.300 2 
      1012  84  84 LEU CD2  C  25.409 0.300 2 
      1013  84  84 LEU N    N 123.715 0.300 1 
      1014  85  85 GLU H    H   7.716 0.020 1 
      1015  85  85 GLU HA   H   3.891 0.020 1 
      1016  85  85 GLU HB2  H   1.947 0.020 2 
      1017  85  85 GLU HB3  H   1.897 0.020 2 
      1018  85  85 GLU HG2  H   2.435 0.020 2 
      1019  85  85 GLU HG3  H   2.397 0.020 2 
      1020  85  85 GLU C    C 180.081 0.300 1 
      1021  85  85 GLU CA   C  59.325 0.300 1 
      1022  85  85 GLU CB   C  28.698 0.300 1 
      1023  85  85 GLU CG   C  34.324 0.300 1 
      1024  85  85 GLU CD   C 180.390 0.300 1 
      1025  85  85 GLU N    N 118.170 0.300 1 
      1026  86  86 LEU H    H   8.120 0.020 1 
      1027  86  86 LEU HA   H   3.783 0.020 1 
      1028  86  86 LEU HB2  H   1.570 0.020 2 
      1029  86  86 LEU HB3  H   1.357 0.020 2 
      1030  86  86 LEU HG   H   1.447 0.020 1 
      1031  86  86 LEU HD1  H   0.799 0.020 1 
      1032  86  86 LEU HD2  H   0.803 0.020 1 
      1033  86  86 LEU C    C 179.849 0.300 1 
      1034  86  86 LEU CA   C  57.974 0.300 1 
      1035  86  86 LEU CB   C  42.860 0.300 1 
      1036  86  86 LEU CG   C  26.928 0.300 1 
      1037  86  86 LEU CD1  C  25.420 0.300 2 
      1038  86  86 LEU CD2  C  24.710 0.300 2 
      1039  86  86 LEU N    N 122.996 0.300 1 
      1040  87  87 ALA H    H   8.408 0.020 1 
      1041  87  87 ALA HA   H   3.849 0.020 1 
      1042  87  87 ALA HB   H   1.560 0.020 1 
      1043  87  87 ALA C    C 179.067 0.300 1 
      1044  87  87 ALA CA   C  55.503 0.300 1 
      1045  87  87 ALA CB   C  19.148 0.300 1 
      1046  87  87 ALA N    N 122.174 0.300 1 
      1047  88  88 GLN H    H   8.712 0.020 1 
      1048  88  88 GLN HA   H   3.903 0.020 1 
      1049  88  88 GLN HB2  H   2.133 0.020 2 
      1050  88  88 GLN HB3  H   1.849 0.020 2 
      1051  88  88 GLN HG2  H   2.550 0.020 2 
      1052  88  88 GLN HG3  H   2.233 0.020 2 
      1053  88  88 GLN HE21 H   7.116 0.020 2 
      1054  88  88 GLN HE22 H   6.660 0.020 2 
      1055  88  88 GLN C    C 179.253 0.300 1 
      1056  88  88 GLN CA   C  58.893 0.300 1 
      1057  88  88 GLN CB   C  28.423 0.300 1 
      1058  88  88 GLN CG   C  34.676 0.300 1 
      1059  88  88 GLN CD   C 180.377 0.300 1 
      1060  88  88 GLN N    N 115.885 0.300 1 
      1061  88  88 GLN NE2  N 110.146 0.300 1 
      1062  89  89 GLY H    H   7.940 0.020 1 
      1063  89  89 GLY HA2  H   3.803 0.020 2 
      1064  89  89 GLY HA3  H   3.699 0.020 2 
      1065  89  89 GLY C    C 175.011 0.300 1 
      1066  89  89 GLY CA   C  46.040 0.300 1 
      1067  89  89 GLY N    N 106.570 0.300 1 
      1068  90  90 ALA H    H   7.312 0.020 1 
      1069  90  90 ALA HA   H   3.889 0.020 1 
      1070  90  90 ALA HB   H   0.482 0.020 1 
      1071  90  90 ALA C    C 178.995 0.300 1 
      1072  90  90 ALA CA   C  53.244 0.300 1 
      1073  90  90 ALA CB   C  17.196 0.300 1 
      1074  90  90 ALA N    N 122.911 0.300 1 
      1075  91  91 VAL H    H   7.303 0.020 1 
      1076  91  91 VAL HA   H   3.974 0.020 1 
      1077  91  91 VAL HB   H   2.089 0.020 1 
      1078  91  91 VAL HG1  H   0.974 0.020 1 
      1079  91  91 VAL HG2  H   0.909 0.020 1 
      1080  91  91 VAL C    C 176.746 0.300 1 
      1081  91  91 VAL CA   C  63.374 0.300 1 
      1082  91  91 VAL CB   C  32.389 0.300 1 
      1083  91  91 VAL CG1  C  21.586 0.300 2 
      1084  91  91 VAL CG2  C  21.013 0.300 2 
      1085  91  91 VAL N    N 115.669 0.300 1 
      1086  92  92 GLY H    H   7.938 0.020 1 
      1087  92  92 GLY HA2  H   3.927 0.020 2 
      1088  92  92 GLY HA3  H   3.768 0.020 2 
      1089  92  92 GLY C    C 174.264 0.300 1 
      1090  92  92 GLY CA   C  45.246 0.300 1 
      1091  92  92 GLY N    N 109.651 0.300 1 
      1092  93  93 SER H    H   7.987 0.020 1 
      1093  93  93 SER HA   H   4.424 0.020 1 
      1094  93  93 SER HB2  H   3.810 0.020 2 
      1095  93  93 SER HB3  H   3.786 0.020 2 
      1096  93  93 SER C    C 174.459 0.300 1 
      1097  93  93 SER CA   C  58.317 0.300 1 
      1098  93  93 SER CB   C  63.831 0.300 1 
      1099  93  93 SER N    N 115.531 0.300 1 
      1100  94  94 VAL H    H   8.007 0.020 1 
      1101  94  94 VAL HA   H   4.099 0.020 1 
      1102  94  94 VAL HB   H   2.038 0.020 1 
      1103  94  94 VAL HG1  H   0.878 0.020 1 
      1104  94  94 VAL HG2  H   0.908 0.020 1 
      1105  94  94 VAL C    C 175.882 0.300 1 
      1106  94  94 VAL CA   C  62.067 0.300 1 
      1107  94  94 VAL CB   C  32.740 0.300 1 
      1108  94  94 VAL CG1  C  21.065 0.300 2 
      1109  94  94 VAL CG2  C  20.582 0.300 2 
      1110  94  94 VAL N    N 121.513 0.300 1 
      1111  95  95 GLN H    H   8.403 0.020 1 
      1112  95  95 GLN HA   H   4.300 0.020 1 
      1113  95  95 GLN HB2  H   1.979 0.020 2 
      1114  95  95 GLN HB3  H   1.881 0.020 2 
      1115  95  95 GLN HG2  H   2.322 0.020 2 
      1116  95  95 GLN HG3  H   2.275 0.020 2 
      1117  95  95 GLN HE21 H   7.117 0.020 2 
      1118  95  95 GLN HE22 H   6.766 0.020 2 
      1119  95  95 GLN C    C 175.509 0.300 1 
      1120  95  95 GLN CA   C  55.434 0.300 1 
      1121  95  95 GLN CB   C  29.467 0.300 1 
      1122  95  95 GLN CG   C  33.759 0.300 1 
      1123  95  95 GLN CD   C 179.732 0.300 1 
      1124  95  95 GLN N    N 124.557 0.300 1 
      1125  95  95 GLN NE2  N 110.708 0.300 1 
      1126  96  96 ILE H    H   8.276 0.020 1 
      1127  96  96 ILE HA   H   4.392 0.020 1 
      1128  96  96 ILE HB   H   1.808 0.020 1 
      1129  96  96 ILE HG12 H   1.454 0.020 2 
      1130  96  96 ILE HG13 H   1.121 0.020 2 
      1131  96  96 ILE HG2  H   0.894 0.020 1 
      1132  96  96 ILE HD1  H   0.799 0.020 1 
      1133  96  96 ILE CA   C  58.645 0.300 1 
      1134  96  96 ILE CB   C  38.611 0.300 1 
      1135  96  96 ILE CG1  C  27.060 0.300 1 
      1136  96  96 ILE CG2  C  17.039 0.300 1 
      1137  96  96 ILE CD1  C  12.648 0.300 1 
      1138  96  96 ILE N    N 125.035 0.300 1 
      1139  97  97 PRO HA   H   4.360 0.020 1 
      1140  97  97 PRO HB2  H   2.224 0.020 2 
      1141  97  97 PRO HB3  H   1.815 0.020 2 
      1142  97  97 PRO HG2  H   1.928 0.020 2 
      1143  97  97 PRO HG3  H   1.913 0.020 2 
      1144  97  97 PRO HD2  H   3.735 0.020 2 
      1145  97  97 PRO HD3  H   3.428 0.020 2 
      1146  97  97 PRO C    C 176.541 0.300 1 
      1147  97  97 PRO CA   C  62.877 0.300 1 
      1148  97  97 PRO CB   C  32.155 0.300 1 
      1149  97  97 PRO CG   C  27.299 0.300 1 
      1150  97  97 PRO CD   C  50.580 0.300 1 
      1151  98  98 VAL H    H   8.259 0.020 1 
      1152  98  98 VAL HA   H   4.009 0.020 1 
      1153  98  98 VAL HB   H   1.961 0.020 1 
      1154  98  98 VAL HG1  H   0.913 0.020 1 
      1155  98  98 VAL HG2  H   0.887 0.020 1 
      1156  98  98 VAL C    C 176.114 0.300 1 
      1157  98  98 VAL CA   C  62.250 0.300 1 
      1158  98  98 VAL CB   C  32.744 0.300 1 
      1159  98  98 VAL CG1  C  21.366 0.300 2 
      1160  98  98 VAL CG2  C  20.668 0.300 2 
      1161  98  98 VAL N    N 121.752 0.300 1 
      1162  99  99 VAL H    H   8.209 0.020 1 
      1163  99  99 VAL HA   H   4.054 0.020 1 
      1164  99  99 VAL HB   H   1.949 0.020 1 
      1165  99  99 VAL HG1  H   0.858 0.020 1 
      1166  99  99 VAL HG2  H   0.853 0.020 1 
      1167  99  99 VAL C    C 175.758 0.300 1 
      1168  99  99 VAL CA   C  62.000 0.300 1 
      1169  99  99 VAL CB   C  33.036 0.300 1 
      1170  99  99 VAL CG1  C  21.091 0.300 2 
      1171  99  99 VAL CG2  C  20.469 0.300 2 
      1172  99  99 VAL N    N 125.247 0.300 1 
      1173 100 100 GLU H    H   8.513 0.020 1 
      1174 100 100 GLU HA   H   4.269 0.020 1 
      1175 100 100 GLU HB2  H   1.963 0.020 2 
      1176 100 100 GLU HB3  H   1.823 0.020 2 
      1177 100 100 GLU HG2  H   2.208 0.020 2 
      1178 100 100 GLU HG3  H   2.134 0.020 2 
      1179 100 100 GLU C    C 176.256 0.300 1 
      1180 100 100 GLU CA   C  56.192 0.300 1 
      1181 100 100 GLU CB   C  30.370 0.300 1 
      1182 100 100 GLU CG   C  36.303 0.300 1 
      1183 100 100 GLU CD   C 183.791 0.300 1 
      1184 100 100 GLU N    N 125.990 0.300 1 
      1185 101 101 VAL H    H   8.218 0.020 1 
      1186 101 101 VAL HA   H   4.056 0.020 1 
      1187 101 101 VAL HB   H   2.004 0.020 1 
      1188 101 101 VAL HG1  H   0.863 0.020 1 
      1189 101 101 VAL HG2  H   0.832 0.020 1 
      1190 101 101 VAL C    C 175.633 0.300 1 
      1191 101 101 VAL CA   C  61.772 0.300 1 
      1192 101 101 VAL CB   C  33.005 0.300 1 
      1193 101 101 VAL CG1  C  21.077 0.300 2 
      1194 101 101 VAL CG2  C  20.294 0.300 2 
      1195 101 101 VAL N    N 121.213 0.300 1 
      1196 102 102 ASP H    H   8.356 0.020 1 
      1197 102 102 ASP HA   H   4.527 0.020 1 
      1198 102 102 ASP HB2  H   2.600 0.020 2 
      1199 102 102 ASP HB3  H   2.482 0.020 2 
      1200 102 102 ASP C    C 175.829 0.300 1 
      1201 102 102 ASP CA   C  54.311 0.300 1 
      1202 102 102 ASP CB   C  41.216 0.300 1 
      1203 102 102 ASP CG   C 180.123 0.300 1 
      1204 102 102 ASP N    N 124.071 0.300 1 
      1205 103 103 GLU H    H   8.210 0.020 1 
      1206 103 103 GLU HA   H   4.456 0.020 1 
      1207 103 103 GLU HB2  H   2.495 0.020 2 
      1208 103 103 GLU HB3  H   2.439 0.020 2 
      1209 103 103 GLU HG2  H   1.993 0.020 2 
      1210 103 103 GLU HG3  H   1.914 0.020 2 
      1211 103 103 GLU C    C 176.007 0.300 1 
      1212 103 103 GLU CA   C  55.755 0.300 1 
      1213 103 103 GLU CB   C  32.076 0.300 1 
      1214 103 103 GLU CG   C  33.870 0.300 1 
      1215 103 103 GLU CD   C 179.914 0.300 1 
      1216 103 103 GLU N    N 121.314 0.300 1 
      1217 104 104 LEU H    H   8.299 0.020 1 
      1218 104 104 LEU HA   H   4.474 0.020 1 
      1219 104 104 LEU HB2  H   1.503 0.020 2 
      1220 104 104 LEU HB3  H   1.311 0.020 2 
      1221 104 104 LEU HG   H   1.524 0.020 1 
      1222 104 104 LEU HD1  H   0.756 0.020 1 
      1223 104 104 LEU HD2  H   0.706 0.020 1 
      1224 104 104 LEU CA   C  52.896 0.300 1 
      1225 104 104 LEU CB   C  41.565 0.300 1 
      1226 104 104 LEU CG   C  26.994 0.300 1 
      1227 104 104 LEU CD1  C  25.137 0.300 2 
      1228 104 104 LEU CD2  C  23.127 0.300 2 
      1229 104 104 LEU N    N 125.180 0.300 1 
      1230 105 105 PRO HA   H   4.339 0.030 1 
      1231 105 105 PRO HB2  H   2.219 0.020 2 
      1232 105 105 PRO HB3  H   1.778 0.020 2 
      1233 105 105 PRO HG2  H   1.982 0.020 2 
      1234 105 105 PRO HG3  H   1.908 0.020 2 
      1235 105 105 PRO HD2  H   3.847 0.020 2 
      1236 105 105 PRO HD3  H   3.623 0.020 2 
      1237 105 105 PRO C    C 176.861 0.300 1 
      1238 105 105 PRO CA   C  63.381 0.300 1 
      1239 105 105 PRO CB   C  32.271 0.300 1 
      1240 105 105 PRO CG   C  27.455 0.300 1 
      1241 105 105 PRO CD   C  51.142 0.300 1 
      1242 106 106 GLU H    H   8.518 0.020 1 
      1243 106 106 GLU HA   H   4.125 0.020 1 
      1244 106 106 GLU HB2  H   1.939 0.020 2 
      1245 106 106 GLU HB3  H   1.912 0.020 2 
      1246 106 106 GLU HG2  H   2.230 0.020 2 
      1247 106 106 GLU HG3  H   2.191 0.020 2 
      1248 106 106 GLU C    C 177.373 0.300 1 
      1249 106 106 GLU CA   C  57.236 0.300 1 
      1250 106 106 GLU CB   C  29.917 0.300 1 
      1251 106 106 GLU CG   C  36.077 0.300 1 
      1252 106 106 GLU CD   C 183.462 0.300 1 
      1253 106 106 GLU N    N 121.345 0.300 1 
      1254 107 107 GLY H    H   8.549 0.020 1 
      1255 107 107 GLY HA2  H   3.937 0.020 2 
      1256 107 107 GLY HA3  H   3.761 0.020 2 
      1257 107 107 GLY C    C 174.139 0.300 1 
      1258 107 107 GLY CA   C  45.405 0.300 1 
      1259 107 107 GLY N    N 110.807 0.300 1 
      1260 108 108 TYR H    H   7.861 0.020 1 
      1261 108 108 TYR HA   H   4.402 0.020 1 
      1262 108 108 TYR HB2  H   2.987 0.020 2 
      1263 108 108 TYR HB3  H   2.940 0.020 2 
      1264 108 108 TYR HD1  H   7.035 0.020 3 
      1265 108 108 TYR HD2  H   7.035 0.020 3 
      1266 108 108 TYR HE1  H   6.771 0.020 3 
      1267 108 108 TYR HE2  H   6.771 0.020 3 
      1268 108 108 TYR C    C 175.331 0.300 1 
      1269 108 108 TYR CA   C  58.311 0.300 1 
      1270 108 108 TYR CB   C  38.758 0.300 1 
      1271 108 108 TYR CG   C 130.905 0.300 1 
      1272 108 108 TYR CD1  C 133.442 0.300 3 
      1273 108 108 TYR CD2  C 132.986 0.300 3 
      1274 108 108 TYR CE1  C 118.383 0.300 3 
      1275 108 108 TYR CE2  C 117.933 0.300 3 
      1276 108 108 TYR CZ   C 156.647 0.300 1 
      1277 108 108 TYR N    N 120.156 0.300 1 
      1278 109 109 ASP H    H   8.307 0.020 1 
      1279 109 109 ASP HA   H   4.474 0.020 1 
      1280 109 109 ASP HB2  H   2.538 0.020 2 
      1281 109 109 ASP HB3  H   2.503 0.020 2 
      1282 109 109 ASP C    C 175.740 0.300 1 
      1283 109 109 ASP CA   C  53.948 0.300 1 
      1284 109 109 ASP CB   C  40.895 0.300 1 
      1285 109 109 ASP CG   C 180.476 0.300 1 
      1286 109 109 ASP N    N 122.036 0.300 1 
      1287 110 110 ARG H    H   8.053 0.020 1 
      1288 110 110 ARG HA   H   4.328 0.020 1 
      1289 110 110 ARG HB2  H   1.865 0.020 2 
      1290 110 110 ARG HB3  H   1.672 0.020 2 
      1291 110 110 ARG HG2  H   1.581 0.020 2 
      1292 110 110 ARG HG3  H   1.556 0.020 2 
      1293 110 110 ARG HD2  H   3.136 0.020 2 
      1294 110 110 ARG HD3  H   3.118 0.020 2 
      1295 110 110 ARG C    C 175.509 0.300 1 
      1296 110 110 ARG CA   C  55.810 0.300 1 
      1297 110 110 ARG CB   C  30.634 0.300 1 
      1298 110 110 ARG CG   C  27.186 0.300 1 
      1299 110 110 ARG CD   C  43.203 0.300 1 
      1300 110 110 ARG N    N 122.177 0.300 1 
      1301 111 111 SER H    H   8.001 0.020 1 
      1302 111 111 SER HA   H   4.160 0.020 1 
      1303 111 111 SER HB2  H   3.801 0.020 2 
      1304 111 111 SER HB3  H   3.781 0.020 2 
      1305 111 111 SER CA   C  60.187 0.300 1 
      1306 111 111 SER CB   C  64.548 0.300 1 
      1307 111 111 SER N    N 122.942 0.300 1 

   stop_

save_


save_assigned_chem_shift_list_1_2
   _Saveframe_category               assigned_chemical_shifts

   _Details                          .

   loop_
      _Software_label

      $CARA 

   stop_

   loop_
      _Experiment_label

      '2D 1H-15N HSQC' 
      '2D 1H-13C HSQC' 
      '2D 1H-1H NOESY' 

   stop_

   loop_
      _Sample_label

      $sample_1 
      $sample_3 

   stop_

   _Sample_conditions_label         $sample_conditions_1
   _Chem_shift_reference_set_label  $chemical_shift_reference_1
   _Mol_system_component_name       'molecule 2'
   _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

       1 720 1 MET H   H  7.238 0.020 1 
       2 720 1 MET HA  H  4.600 0.020 1 
       3 720 1 MET HB2 H  1.730 0.020 2 
       4 720 1 MET HB3 H  1.712 0.020 2 
       5 720 1 MET HG2 H  2.258 0.020 2 
       6 720 1 MET HG3 H  2.164 0.020 2 
       7 720 1 MET HE  H  1.950 0.020 1 
       8 720 1 MET CA  C 52.793 0.300 1 
       9 720 1 MET CB  C 30.241 0.300 1 
      10 720 1 MET CG  C 29.176 0.300 1 
      11 720 1 MET CE  C 21.691 0.300 1 
      12 721 2 GLU H   H  8.706 0.020 1 
      13 721 2 GLU HA  H  3.911 0.020 1 
      14 721 2 GLU HB2 H  1.947 0.020 2 
      15 721 2 GLU HB3 H  1.741 0.020 2 
      16 721 2 GLU HG2 H  2.413 0.020 2 
      17 721 2 GLU HG3 H  2.178 0.020 2 
      18 721 2 GLU CA  C 53.711 0.300 1 
      19 721 2 GLU CB  C 27.505 0.300 1 
      20 721 2 GLU CG  C 33.443 0.300 1 
      21 722 3 GLU H   H  8.448 0.020 1 
      22 722 3 GLU HA  H  3.911 0.020 1 
      23 722 3 GLU HB2 H  1.947 0.020 2 
      24 722 3 GLU HB3 H  1.878 0.020 2 
      25 722 3 GLU HG2 H  2.287 0.020 2 
      26 722 3 GLU HG3 H  2.106 0.020 2 
      27 722 3 GLU CA  C 53.574 0.300 1 
      28 722 3 GLU CB  C 27.432 0.300 1 
      29 722 3 GLU CG  C 33.549 0.300 1 
      30 723 4 VAL H   H  8.061 0.020 1 
      31 723 4 VAL HA  H  3.893 0.020 1 
      32 723 4 VAL HB  H  1.679 0.020 1 
      33 723 4 VAL HG1 H  0.963 0.020 2 
      34 723 4 VAL HG2 H  0.789 0.020 2 
      35 723 4 VAL CA  C 59.019 0.300 1 
      36 723 4 VAL CB  C 30.488 0.300 1 
      37 723 4 VAL CG1 C 18.475 0.300 2 
      38 723 4 VAL CG2 C 17.102 0.300 2 
      39 724 5 ASP H   H  7.827 0.020 1 
      40 724 5 ASP HA  H  4.598 0.020 1 
      41 724 5 ASP HB2 H  2.258 0.020 2 
      42 724 5 ASP HB3 H  2.160 0.020 2 
      43 724 5 ASP CA  C 53.193 0.300 1 
      44 724 5 ASP CB  C 39.455 0.300 1 

   stop_

save_