data_7150

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

save_entry_information
   _Saveframe_category      entry_information

   _Entry_title            
;
Chemical Shift Assignments for the talin F3 sub-domain in complex with a chimeric beta3-integrin/PIPKIg peptide
;
   _BMRB_accession_number   7150
   _BMRB_flat_file_name     bmr7150.str
   _Entry_type              original
   _Submission_date         2006-06-06
   _Accession_date          2006-06-06
   _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 Wegener    Kate    L. . 
      2 Partridge  Anthony W. . 
      3 Han        Jaewon  .  . 
      4 Bobkov     Andrey  .  . 
      5 Liddington Robert  C. . 
      6 Ginsberg   Mark    H. . 
      7 Campbell   Iain    D. . 

   stop_

   loop_
      _Saveframe_category_type
      _Saveframe_category_type_count

      assigned_chemical_shifts 2 

   stop_

   loop_
      _Data_type
      _Data_type_count

      "1H chemical shifts"  839 
      "13C chemical shifts" 283 
      "15N chemical shifts" 108 

   stop_

   loop_
      _Revision_date
      _Revision_keyword
      _Revision_author
      _Revision_detail

      2007-03-06 original author . 

   stop_

   _Original_release_date   2007-03-06

save_


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

save_entry_citation
   _Saveframe_category           entry_citation

   _Citation_full                .
   _Citation_title              'Structural basis of integrin activation by talin'
   _Citation_status              published
   _Citation_type                journal
   _CAS_abstract_code            .
   _MEDLINE_UI_code              .
   _PubMed_ID                    17218263

   loop_
      _Author_ordinal
      _Author_family_name
      _Author_given_name
      _Author_middle_initials
      _Author_family_title

      1 Wegener    Kate    L. . 
      2 Partridge  Anthony W. . 
      3 Han        Jaewon  .  . 
      4 Pickford   A.      R. . 
      5 Liddington Robert  C. . 
      6 Ginsberg   Mark    H. . 
      7 Campbell   Iain    D. . 

   stop_

   _Journal_abbreviation         Cell
   _Journal_volume               128
   _Journal_issue                1
   _Journal_CSD                  .
   _Book_chapter_title           .
   _Book_volume                  .
   _Book_series                  .
   _Book_ISBN                    .
   _Conference_state_province    .
   _Conference_abstract_number   .
   _Page_first                   171
   _Page_last                    182
   _Year                         2007
   _Details                      .

   loop_
      _Keyword

      NMR 

   stop_

save_


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

save_referencing_citation
   _Saveframe_category           citation

   _Citation_full                .
   _Citation_title              '1H, 13C and 15N chemical shift referencing in biomolecular NMR.'
   _Citation_status              published
   _Citation_type                journal
   _CAS_abstract_code            .
   _MEDLINE_UI_code              .
   _PubMed_ID                    8589602

   loop_
      _Author_ordinal
      _Author_family_name
      _Author_given_name
      _Author_middle_initials
      _Author_family_title

      1 Wishart D S . 

   stop_

   _Journal_abbreviation        'J. Biomol. NMR'
   _Journal_name_full            .
   _Journal_volume               6
   _Journal_issue                2
   _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                   135
   _Page_last                    140
   _Year                         1995
   _Details                      .

save_


save_nmr_experiment
   _Saveframe_category           citation

   _Citation_full                .
   _Citation_title              'Optimized set of two-dimensional experiments for fast sequential assignment, secondary structure determination, and backbone fold validation of 13C/15N-labelled proteins.'
   _Citation_status              published
   _Citation_type                journal
   _CAS_abstract_code            .
   _MEDLINE_UI_code              .
   _PubMed_ID                    12878841

   loop_
      _Author_ordinal
      _Author_family_name
      _Author_given_name
      _Author_middle_initials
      _Author_family_title

      1 Bersch B . . 

   stop_

   _Journal_abbreviation        'J. Biomol. NMR'
   _Journal_name_full            .
   _Journal_volume               27
   _Journal_issue                1
   _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                   57
   _Page_last                    67
   _Year                         2003
   _Details                      .

save_


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

save_assembly
   _Saveframe_category         molecular_system

   _Mol_system_name           'Talin/integrin/PIPKIg chimera complex'
   _Enzyme_commission_number   .

   loop_
      _Mol_system_component_name
      _Mol_label

      'Talin F3 domain'         $Talin_F3         
      'Integrin/PIPKIg peptide' $Chimeric_peptide 

   stop_

   _System_molecular_weight    15785.10
   _System_physical_state      native
   _System_oligomer_state     'protein-protein complex'
   _System_paramagnetic        no
   _System_thiol_state        'not present'
   _Database_query_date        .
   _Details                   'Talin F3 domain in complex with a chimeric beta3-integrin/PIPKIg complex'

save_


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

save_Talin_F3
   _Saveframe_category                          monomeric_polymer

   _Mol_type                                    polymer
   _Mol_polymer_class                           protein
   _Name_common                                 Talin_F3
   _Molecular_mass                              11649.3
   _Mol_thiol_state                            'not present'
   _Details                                     .

   	##############################
   	#  Polymer residue sequence  #
   	##############################
   
      _Residue_count                               102
   _Mol_residue_sequence                       
;
GPLGSGVSFFLVKEKMKGKN
KLVPRLLGITKESVMRVDEK
TKEVIQEWSLTNIKRWAASP
KSFTLDFGDYQDGYYSVQTT
EGEQIAQLIAGYIDIILKKK
KS
;

   loop_
      _Residue_seq_code
      _Residue_author_seq_code
      _Residue_label

        1 304 GLY    2 305 PRO    3 306 LEU    4 307 GLY    5 308 SER 
        6 309 GLY    7 310 VAL    8 311 SER    9 312 PHE   10 313 PHE 
       11 314 LEU   12 315 VAL   13 316 LYS   14 317 GLU   15 318 LYS 
       16 319 MET   17 320 LYS   18 321 GLY   19 322 LYS   20 323 ASN 
       21 324 LYS   22 325 LEU   23 326 VAL   24 327 PRO   25 328 ARG 
       26 329 LEU   27 330 LEU   28 331 GLY   29 332 ILE   30 333 THR 
       31 334 LYS   32 335 GLU   33 336 SER   34 337 VAL   35 338 MET 
       36 339 ARG   37 340 VAL   38 341 ASP   39 342 GLU   40 343 LYS 
       41 344 THR   42 345 LYS   43 346 GLU   44 347 VAL   45 348 ILE 
       46 349 GLN   47 350 GLU   48 351 TRP   49 352 SER   50 353 LEU 
       51 354 THR   52 355 ASN   53 356 ILE   54 357 LYS   55 358 ARG 
       56 359 TRP   57 360 ALA   58 361 ALA   59 362 SER   60 363 PRO 
       61 364 LYS   62 365 SER   63 366 PHE   64 367 THR   65 368 LEU 
       66 369 ASP   67 370 PHE   68 371 GLY   69 372 ASP   70 373 TYR 
       71 374 GLN   72 375 ASP   73 376 GLY   74 377 TYR   75 378 TYR 
       76 379 SER   77 380 VAL   78 381 GLN   79 382 THR   80 383 THR 
       81 384 GLU   82 385 GLY   83 386 GLU   84 387 GLN   85 388 ILE 
       86 389 ALA   87 390 GLN   88 391 LEU   89 392 ILE   90 393 ALA 
       91 394 GLY   92 395 TYR   93 396 ILE   94 397 ASP   95 398 ILE 
       96 399 ILE   97 400 LEU   98 401 LYS   99 402 LYS  100 403 LYS 
      101 404 LYS  102 405 SER 

   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

      PDB 1KUP         "Solution Structure Of The Membrane Proximal Regions Of Alpha-Iib And Beta-3 Integrins"                                            70.59  25 100.00 100.00 1.33e-06 
      PDB 1KUZ         "Solution Structure Of The Membrane Proximal Regions Of Alpha-Iib And Beta-3 Integrins"                                            70.59  25 100.00 100.00 1.33e-06 
      PDB 2H7D         "Solution Structure Of The Talin F3 Domain In Complex With A Chimeric Beta3 Integrin-Pip Kinase Peptide"                          100.00  34 100.00 100.00 1.14e-13 
      PDB 2H7E         "Solution Structure Of The Talin F3 Domain In Complex With A Chimeric Beta3 Integrin-Pip Kinase Peptide- Minimized Average Struc" 100.00  34 100.00 100.00 1.14e-13 
      GB  AAA36121     "integrin beta-3, partial [Homo sapiens]"                                                                                          70.59  74 100.00 100.00 1.06e-06 
      GB  AAB71380     "platelet membrane glycoprotein IIIa beta subunit [Homo sapiens]"                                                                  70.59 784 100.00 100.00 3.16e-07 
      GB  AHN82190     "integrin beta-3 [Myodes glareolus]"                                                                                               70.59 787 100.00 100.00 3.16e-07 
      GB  EAW57680     "integrin, beta 3 (platelet glycoprotein IIIa, antigen CD61), isoform CRA_b [Homo sapiens]"                                        70.59 774 100.00 100.00 3.14e-07 
      GB  EAW57681     "integrin, beta 3 (platelet glycoprotein IIIa, antigen CD61), isoform CRA_c [Homo sapiens]"                                        70.59 780 100.00 100.00 3.15e-07 
      REF XP_005070100 "PREDICTED: integrin beta-3 isoform X2 [Mesocricetus auratus]"                                                                     70.59 787 100.00 100.00 3.16e-07 
      REF XP_005369467 "PREDICTED: integrin beta-3 [Microtus ochrogaster]"                                                                                70.59 787 100.00 100.00 3.16e-07 
      REF XP_005402305 "PREDICTED: integrin beta-3 [Chinchilla lanigera]"                                                                                 70.59 806 100.00 100.00 3.19e-07 
      REF XP_006970595 "PREDICTED: integrin beta-3 [Peromyscus maniculatus bairdii]"                                                                      70.59 787 100.00 100.00 3.16e-07 
      REF XP_007633842 "PREDICTED: integrin beta-3 [Cricetulus griseus]"                                                                                  70.59 645 100.00 100.00 2.88e-07 

   stop_

save_


save_Chimeric_peptide
   _Saveframe_category                          monomeric_polymer

   _Mol_type                                    polymer
   _Mol_polymer_class                           protein
   _Name_common                                'Beta3integrin-PIPKIg chimeric peptide'
   _Molecular_mass                              4269.8
   _Mol_thiol_state                            'not present'
   _Details                                     .
   _Residue_count                               34
   _Mol_residue_sequence                       
;
KLLITIHDRKEFAKFEEERA
RAKWVXSPLHYSAR
;

   loop_
      _Residue_seq_code
      _Residue_author_seq_code
      _Residue_label

       1 716 LYS   2 717 LEU   3 718 LEU   4 719 ILE   5 720 THR 
       6 721 ILE   7 722 HIS   8 723 ASP   9 724 ARG  10 725 LYS 
      11 726 GLU  12 727 PHE  13 728 ALA  14 729 LYS  15 730 PHE 
      16 731 GLU  17 732 GLU  18 733 GLU  19 734 ARG  20 735 ALA 
      21 736 ARG  22 737 ALA  23 738 LYS  24 739 TRP  25 740 VAL 
      26 741 PTR  27 742 SER  28 743 PRO  29 744 LEU  30 745 HIS 
      31 746 TYR  32 747 SER  33 748 ALA  34 749 ARG 

   stop_

   _Sequence_homology_query_date                .
   _Sequence_homology_query_revised_last_date   .

save_


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

save_chem_comp_PTR
   _Saveframe_category            polymer_residue

   _Mol_type                     'L-PEPTIDE LINKING'
   _Name_common                   O-PHOSPHOTYROSINE
   _BMRB_code                     .
   _PDB_code                      PTR
   _Standard_residue_derivative   .
   _Molecular_mass                261.168
   _Mol_paramagnetic              .
   _Details                      
;
Information obtained from PDB's Chemical Component Dictionary
at http://wwpdb-remediation.rutgers.edu/downloads.html
Downloaded on Fri Feb  3 16:56:44 2012
;

   loop_
      _Atom_name
      _PDB_atom_name
      _Atom_type
      _Atom_chirality
      _Atom_charge
      _Atom_oxidation_number
      _Atom_unpaired_electrons

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

   stop_

   loop_
      _Bond_order
      _Bond_atom_one_atom_name
      _Bond_atom_two_atom_name
      _PDB_bond_atom_one_atom_name
      _PDB_bond_atom_two_atom_name

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

   stop_

save_


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

save_natural_source
   _Saveframe_category   natural_source


   loop_
      _Mol_label
      _Organism_name_common
      _NCBI_taxonomy_ID
      _Superkingdom
      _Kingdom
      _Genus
      _Species
      _Details

      $Talin_F3         Chicken 9031 Eukaryota Metazoa . .  . 
      $Chimeric_peptide .           . .         .       . . 
;
The chimeric peptide was synthesised commercially. It's sequence is a 
combination of residues from ITB3_HUMAN (UNP P05106 - Homo sapiens) and 
PI51C_MOUS (UNP O70161 - Mus musculus) i.e. the first 24 residues of the 
peptide correspond to residues 742-765 from ITB3_HUMAN and the remaining 10 
residues are residues 643-652 from PI51C_MOUS. The combined sequence of the 
synthesised peptide is not found naturally.
; 

   stop_

save_


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

save_experimental_source
   _Saveframe_category   experimental_source


   loop_
      _Mol_label
      _Production_method
      _Host_organism_name_common
      _Genus
      _Species
      _Strain
      _Vector_type
      _Vector_name

      $Talin_F3         'recombinant technology' 'E. coli' . . . plasmid pGex-6P2 
      $Chimeric_peptide 'chemical synthesis'      .        . . . .       .        

   stop_

save_


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

save_sample_1
   _Saveframe_category   sample

   _Sample_type          solution
   _Details              .

   loop_
      _Mol_label
      _Concentration_value
      _Concentration_value_units
      _Isotopic_labeling

      $Talin_F3            1.2 mM [U-15N] 
      $Chimeric_peptide    1.4 mM .       
      'phosphate buffer'  50   mM .       
      'Sodium Chloride'  100   mM .       

   stop_

save_


save_sample_2
   _Saveframe_category   sample

   _Sample_type          solution
   _Details              .

   loop_
      _Mol_label
      _Concentration_value
      _Concentration_value_units
      _Isotopic_labeling

      $Talin_F3            1.9 mM '[U-15N; U-2H]' 
      $Chimeric_peptide    1.5 mM  .              
      'phosphate buffer'  50   mM  .              
      'Sodium Chloride'  100   mM  .              

   stop_

save_


save_sample_3
   _Saveframe_category   sample

   _Sample_type          solution
   _Details              .

   loop_
      _Mol_label
      _Concentration_value
      _Concentration_value_units
      _Isotopic_labeling

      $Talin_F3            1.1 mM '[U-15N; U-13C]' 
      $Chimeric_peptide    1.1 mM  .               
      'phosphate buffer'  50   mM  .               
      'Sodium Chloride'  100   mM  .               

   stop_

save_


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

save_software_1
   _Saveframe_category   software

   _Name                 SPARKY
   _Version              3.110
   _Details              .

save_


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

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

save_600MHz_spectrometer
   _Saveframe_category   NMR_spectrometer

   _Manufacturer         Home-built
   _Model                .
   _Field_strength       600MHz
   _Details              .

save_


save_750MHz_spectrometer
   _Saveframe_category   NMR_spectrometer

   _Manufacturer         Home-built
   _Model                .
   _Field_strength       750MHz
   _Details              .

save_


save_500MHz_spectrometer
   _Saveframe_category   NMR_spectrometer

   _Manufacturer         Home-built
   _Model                .
   _Field_strength       500MHz
   _Details              .

save_


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

save_1H15N_NOESY-HSQC_1
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '1H15N NOESY-HSQC'
   _Sample_label         .

save_


save_2D_NOESY_(1H-1H)_2
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '2D NOESY (1H-1H)'
   _Sample_label         .

save_


save_2D_TOCSY_(1H-1H)_3
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '2D TOCSY (1H-1H)'
   _Sample_label         .

save_


save_2D_DQF-COSY_(1H-1H)_4
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '2D DQF-COSY (1H-1H)'
   _Sample_label         .

save_


save_(1H-15N-13C)_2D_HNCO_5
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '(1H-15N-13C) 2D HNCO'
   _Sample_label         .

save_


save_(1H-15N-13C)_2D_HNCA_6
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '(1H-15N-13C) 2D HNCA'
   _Sample_label         .

save_


save_(1H-15N-13C)_2D_HNCOCA_7
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '(1H-15N-13C) 2D HNCOCA'
   _Sample_label         .

save_


save_(1H-15N-13C)_2D_HNCOCACB_8
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '(1H-15N-13C) 2D HNCOCACB'
   _Sample_label         .

save_


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

save_conditions_1
   _Saveframe_category   sample_conditions

   _Details             '50mM phosphate buffer, 100mM NaCl'

   loop_
      _Variable_type
      _Variable_value
      _Variable_value_error
      _Variable_value_units

      'ionic strength' 100   1    mM 
       pH                6.1 0.01 pH 
       temperature     298   0.1  K  

   stop_

save_


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

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

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

save_chemical_shift_referencing
   _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
      _Indirect_shift_ratio_citation_label

      DSS C 13 protons ppm 0     .        indirect . . . 0.251449530 $referencing_citation 
      H2O H  1 protons ppm 4.766 internal direct   . . . 1.0          .                    
      DSS N 15 protons ppm 0     .        indirect . . . 0.101329118 $referencing_citation 

   stop_

save_


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

###################################################################
#       Chemical Shift Ambiguity Index Value Definitions          #
#                                                                 #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains.                              #
#                                                                 #
#   Index Value            Definition                             #
#                                                                 #
#      1             Unique (including isolated methyl protons,   #
#                         geminal atoms, and geminal methyl       #
#                         groups with identical chemical shifts)  #
#                         (e.g. ILE HD11, HD12, HD13 protons)     #
#      2             Ambiguity of geminal atoms or geminal methyl #
#                         proton groups (e.g. ASP HB2 and HB3     #
#                         protons, LEU CD1 and CD2 carbons, or    #
#                         LEU HD11, HD12, HD13 and HD21, HD22,    #
#                         HD23 methyl protons)                    #
#      3             Aromatic atoms on opposite sides of          #
#                         symmetrical rings (e.g. TYR HE1 and HE2 #
#                         protons)                                #
#      4             Intraresidue ambiguities (e.g. LYS HG and    #
#                         HD protons or TRP HZ2 and HZ3 protons)  #
#      5             Interresidue ambiguities (LYS 12 vs. LYS 27) #
#      6             Intermolecular ambiguities (e.g. ASP 31 CA   #
#                         in monomer 1 and ASP 31 CA in monomer 2 #
#                         of an asymmetrical homodimer, duplex    #
#                         DNA assignments, or other assignments   #
#                         that may apply to atoms in one or more  #
#                         molecule in the molecular assembly)     #
#      9             Ambiguous, specific ambiguity not defined    #
#                                                                 #
###################################################################
save_chem_shift_list_1_1
   _Saveframe_category               assigned_chemical_shifts

   _Details                          .

   loop_
      _Software_label

      $software_1 

   stop_

   loop_
      _Experiment_label

      '1H15N NOESY-HSQC' 
      '2D NOESY (1H-1H)' 

   stop_

   loop_
      _Sample_label

      $sample_1 
      $sample_2 

   stop_

   _Sample_conditions_label         $conditions_1
   _Chem_shift_reference_set_label  $chemical_shift_referencing
   _Mol_system_component_name       'Talin F3 domain'
   _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

         1 305   2 PRO HA   H   4.43  0.02 1 
         2 305   2 PRO HB2  H   2.27  0.02 1 
         3 305   2 PRO HB3  H   2.27  0.02 1 
         4 305   2 PRO HG2  H   1.91  0.02 1 
         5 305   2 PRO HG3  H   1.91  0.02 1 
         6 305   2 PRO HD2  H   3.53  0.02 1 
         7 305   2 PRO HD3  H   3.94  0.02 1 
         8 305   2 PRO C    C 177.03  0.1  1 
         9 305   2 PRO CA   C  63.1   0.1  1 
        10 305   2 PRO CB   C  32.4   0.1  1 
        11 306   3 LEU H    H   8.51  0.02 1 
        12 306   3 LEU HA   H   4.28  0.02 1 
        13 306   3 LEU HB2  H   1.69  0.02 1 
        14 306   3 LEU HB3  H   1.69  0.02 1 
        15 306   3 LEU HG   H   1.56  0.02 1 
        16 306   3 LEU HD1  H   0.9   0.02 1 
        17 306   3 LEU HD2  H   0.83  0.02 1 
        18 306   3 LEU C    C 177.81  0.1  1 
        19 306   3 LEU CA   C  55.37  0.1  1 
        20 306   3 LEU CB   C  42.42  0.1  1 
        21 306   3 LEU N    N 122.04  0.1  1 
        22 307   4 GLY H    H   8.33  0.02 1 
        23 307   4 GLY HA2  H   3.96  0.02 1 
        24 307   4 GLY HA3  H   3.96  0.02 1 
        25 307   4 GLY C    C 174.15  0.1  1 
        26 307   4 GLY CA   C  45.37  0.1  1 
        27 307   4 GLY N    N 109.61  0.1  1 
        28 308   5 SER H    H   8.28  0.02 1 
        29 308   5 SER HA   H   4.43  0.02 1 
        30 308   5 SER HB2  H   3.87  0.02 1 
        31 308   5 SER HB3  H   3.87  0.02 1 
        32 308   5 SER C    C 175.27  0.1  1 
        33 308   5 SER CA   C  58.62  0.1  1 
        34 308   5 SER CB   C  64.03  0.1  1 
        35 308   5 SER N    N 115.65  0.1  1 
        36 309   6 GLY H    H   8.61  0.02 1 
        37 309   6 GLY HA2  H   3.9   0.02 1 
        38 309   6 GLY HA3  H   3.9   0.02 1 
        39 309   6 GLY C    C 173.61  0.1  1 
        40 309   6 GLY CA   C  45.7   0.1  1 
        41 309   6 GLY N    N 110.61  0.1  1 
        42 310   7 VAL H    H   7.71  0.02 1 
        43 310   7 VAL HA   H   4.1   0.02 1 
        44 310   7 VAL HB   H   1.56  0.02 1 
        45 310   7 VAL HG1  H   0.07  0.02 1 
        46 310   7 VAL HG2  H   0.44  0.02 1 
        47 310   7 VAL C    C 175.12  0.1  1 
        48 310   7 VAL CA   C  60.92  0.1  1 
        49 310   7 VAL CB   C  33.44  0.1  1 
        50 310   7 VAL N    N 120.53  0.1  1 
        51 311   8 SER H    H   8.21  0.02 1 
        52 311   8 SER HA   H   4.53  0.02 1 
        53 311   8 SER HB2  H   3.63  0.02 1 
        54 311   8 SER HB3  H   3.63  0.02 1 
        55 311   8 SER C    C 172.34  0.1  1 
        56 311   8 SER CA   C  57.8   0.1  1 
        57 311   8 SER CB   C  64.26  0.1  1 
        58 311   8 SER N    N 123.27  0.1  1 
        59 312   9 PHE H    H   8.58  0.02 1 
        60 312   9 PHE HA   H   5.63  0.02 1 
        61 312   9 PHE HB2  H   2.73  0.02 1 
        62 312   9 PHE HB3  H   2.81  0.02 1 
        63 312   9 PHE HD1  H   7.06  0.02 1 
        64 312   9 PHE HD2  H   7.06  0.02 1 
        65 312   9 PHE HE1  H   7.1   0.02 1 
        66 312   9 PHE HE2  H   7.1   0.02 1 
        67 312   9 PHE HZ   H   7.16  0.02 1 
        68 312   9 PHE C    C 175.78  0.1  1 
        69 312   9 PHE CA   C  57.23  0.1  1 
        70 312   9 PHE CB   C  42.82  0.1  1 
        71 312   9 PHE N    N 122.33  0.1  1 
        72 313  10 PHE H    H   9.27  0.02 1 
        73 313  10 PHE HA   H   4.59  0.02 1 
        74 313  10 PHE HB2  H   3.03  0.02 1 
        75 313  10 PHE HB3  H   2.64  0.02 1 
        76 313  10 PHE HD1  H   7.15  0.02 1 
        77 313  10 PHE HD2  H   7.15  0.02 1 
        78 313  10 PHE HE1  H   6.94  0.02 1 
        79 313  10 PHE HE2  H   6.94  0.02 1 
        80 313  10 PHE C    C 174.2   0.1  1 
        81 313  10 PHE CA   C  56.93  0.1  1 
        82 313  10 PHE CB   C  42.2   0.1  1 
        83 313  10 PHE N    N 119.67  0.1  1 
        84 314  11 LEU H    H   9.45  0.02 1 
        85 314  11 LEU HA   H   4.88  0.02 1 
        86 314  11 LEU HB2  H   1.4   0.02 1 
        87 314  11 LEU HB3  H   1.97  0.02 1 
        88 314  11 LEU HG   H   1.54  0.02 1 
        89 314  11 LEU HD1  H   0.89  0.02 1 
        90 314  11 LEU HD2  H   0.67  0.02 1 
        91 314  11 LEU C    C 176.64  0.1  1 
        92 314  11 LEU CA   C  55.63  0.1  1 
        93 314  11 LEU CB   C  41.46  0.1  1 
        94 314  11 LEU N    N 127.28  0.1  1 
        95 315  12 VAL H    H   9.17  0.02 1 
        96 315  12 VAL HA   H   5.1   0.02 1 
        97 315  12 VAL HB   H   2.22  0.02 1 
        98 315  12 VAL HG1  H   0.89  0.02 2 
        99 315  12 VAL HG2  H   0.89  0.02 2 
       100 315  12 VAL C    C 174.3   0.1  1 
       101 315  12 VAL CA   C  58.84  0.1  1 
       102 315  12 VAL CB   C  35.51  0.1  1 
       103 315  12 VAL N    N 123.45  0.1  1 
       104 316  13 LYS H    H   8.22  0.02 1 
       105 316  13 LYS HA   H   5.19  0.02 1 
       106 316  13 LYS HB2  H   1.5   0.02 1 
       107 316  13 LYS HB3  H   1.5   0.02 1 
       108 316  13 LYS HG2  H   1.01  0.02 1 
       109 316  13 LYS HG3  H   1.01  0.02 1 
       110 316  13 LYS HD2  H   1.51  0.02 1 
       111 316  13 LYS HD3  H   1.51  0.02 1 
       112 316  13 LYS HE2  H   2.81  0.02 1 
       113 316  13 LYS HE3  H   2.81  0.02 1 
       114 316  13 LYS C    C 175.22  0.1  1 
       115 316  13 LYS CA   C  55.23  0.1  1 
       116 316  13 LYS CB   C  36.29  0.1  1 
       117 316  13 LYS N    N 116.27  0.1  1 
       118 317  14 GLU H    H   9.36  0.02 1 
       119 317  14 GLU HA   H   4.77  0.02 1 
       120 317  14 GLU HB2  H   1.95  0.02 1 
       121 317  14 GLU HB3  H   2.2   0.02 1 
       122 317  14 GLU HG2  H   2.28  0.02 1 
       123 317  14 GLU HG3  H   2.43  0.02 1 
       124 317  14 GLU C    C 174.86  0.1  1 
       125 317  14 GLU CA   C  53.83  0.1  1 
       126 317  14 GLU CB   C  33.25  0.1  1 
       127 317  14 GLU N    N 121.58  0.1  1 
       128 318  15 LYS H    H   8.96  0.02 1 
       129 318  15 LYS HA   H   4.57  0.02 1 
       130 318  15 LYS HB2  H   1.95  0.02 1 
       131 318  15 LYS HB3  H   1.95  0.02 1 
       132 318  15 LYS HG2  H   1.4   0.02 1 
       133 318  15 LYS HG3  H   1.4   0.02 1 
       134 318  15 LYS HD2  H   1.72  0.02 1 
       135 318  15 LYS HD3  H   1.72  0.02 1 
       136 318  15 LYS C    C 176.73  0.1  1 
       137 318  15 LYS CA   C  56.17  0.1  1 
       138 318  15 LYS CB   C  33.32  0.1  1 
       139 318  15 LYS N    N 122.91  0.1  1 
       140 319  16 MET H    H   8.99  0.02 1 
       141 319  16 MET HA   H   4.43  0.02 1 
       142 319  16 MET HB2  H   1.9   0.02 1 
       143 319  16 MET HB3  H   2.04  0.02 1 
       144 319  16 MET HG2  H   2.52  0.02 1 
       145 319  16 MET HG3  H   2.57  0.02 1 
       146 319  16 MET C    C 175.76  0.1  1 
       147 319  16 MET CA   C  55.24  0.1  1 
       148 319  16 MET CB   C  34.41  0.1  1 
       149 319  16 MET N    N 128.42  0.1  1 
       150 320  17 LYS H    H   8.66  0.02 1 
       151 320  17 LYS HA   H   4.16  0.02 1 
       152 320  17 LYS HB2  H   1.86  0.02 1 
       153 320  17 LYS HB3  H   1.86  0.02 1 
       154 320  17 LYS HG2  H   1.39  0.02 1 
       155 320  17 LYS HG3  H   1.48  0.02 1 
       156 320  17 LYS HD2  H   1.79  0.02 1 
       157 320  17 LYS HD3  H   1.79  0.02 1 
       158 320  17 LYS C    C 178.1   0.1  1 
       159 320  17 LYS CA   C  58.14  0.1  1 
       160 320  17 LYS CB   C  32.33  0.1  1 
       161 320  17 LYS N    N 126.2   0.1  1 
       162 321  18 GLY H    H   8.95  0.02 1 
       163 321  18 GLY HA2  H   3.75  0.02 1 
       164 321  18 GLY HA3  H   4.1   0.02 1 
       165 321  18 GLY C    C 173.77  0.1  1 
       166 321  18 GLY CA   C  45.74  0.1  1 
       167 321  18 GLY N    N 113.47  0.1  1 
       168 322  19 LYS H    H   7.46  0.02 1 
       169 322  19 LYS HA   H   4.63  0.02 1 
       170 322  19 LYS HB2  H   1.68  0.02 1 
       171 322  19 LYS HB3  H   1.68  0.02 1 
       172 322  19 LYS HG2  H   1.32  0.02 1 
       173 322  19 LYS HG3  H   1.4   0.02 1 
       174 322  19 LYS HD2  H   1.61  0.02 1 
       175 322  19 LYS HD3  H   1.61  0.02 1 
       176 322  19 LYS HE2  H   2.93  0.02 1 
       177 322  19 LYS HE3  H   2.93  0.02 1 
       178 322  19 LYS CA   C  54.54  0.1  1 
       179 322  19 LYS N    N 117.48  0.1  1 
       180 323  20 ASN HA   H   4.01  0.02 1 
       181 323  20 ASN HB2  H   2.25  0.02 1 
       182 323  20 ASN HB3  H   2.47  0.02 1 
       183 323  20 ASN HD21 H   7.42  0.02 1 
       184 323  20 ASN HD22 H   6.86  0.02 1 
       185 323  20 ASN C    C 174.04  0.1  1 
       186 323  20 ASN CA   C  52.57  0.1  1 
       187 323  20 ASN CB   C  38.14  0.1  1 
       188 323  20 ASN ND2  N 111.96  0.02 1 
       189 324  21 LYS H    H   7.21  0.02 1 
       190 324  21 LYS HA   H   4.42  0.02 1 
       191 324  21 LYS HB2  H   1.54  0.02 1 
       192 324  21 LYS HB3  H   1.54  0.02 1 
       193 324  21 LYS HG2  H   1.28  0.02 1 
       194 324  21 LYS HG3  H   1.39  0.02 1 
       195 324  21 LYS HD2  H   1.63  0.02 1 
       196 324  21 LYS HD3  H   1.63  0.02 1 
       197 324  21 LYS CA   C  55.24  0.1  1 
       198 324  21 LYS CB   C  35.11  0.1  1 
       199 324  21 LYS N    N 117.34  0.1  1 
       200 325  22 LEU H    H   8.83  0.02 1 
       201 325  22 LEU HA   H   5.08  0.02 1 
       202 325  22 LEU HB2  H   1.58  0.02 1 
       203 325  22 LEU HB3  H   1.58  0.02 1 
       204 325  22 LEU HG   H   0.98  0.02 1 
       205 325  22 LEU HD1  H   0.54  0.02 1 
       206 325  22 LEU HD2  H   0.32  0.02 1 
       207 325  22 LEU C    C 177.17  0.1  1 
       208 325  22 LEU CA   C  53.87  0.1  1 
       209 325  22 LEU CB   C  44.02  0.1  1 
       210 325  22 LEU N    N 124.35  0.1  1 
       211 326  23 VAL H    H   9.43  0.02 1 
       212 326  23 VAL HA   H   4.87  0.02 1 
       213 326  23 VAL HB   H   2.21  0.02 1 
       214 326  23 VAL HG1  H   0.97  0.02 2 
       215 326  23 VAL HG2  H   0.97  0.02 2 
       216 326  23 VAL CA   C  58.35  0.1  1 
       217 326  23 VAL N    N 118.75  0.1  1 
       218 327  24 PRO HA   H   5.03  0.02 1 
       219 327  24 PRO HB2  H   1.91  0.02 1 
       220 327  24 PRO HB3  H   2.25  0.02 1 
       221 327  24 PRO HD2  H   3.77  0.02 1 
       222 327  24 PRO HD3  H   3.86  0.02 1 
       223 327  24 PRO C    C 175.93  0.1  1 
       224 327  24 PRO CA   C  62.86  0.1  1 
       225 327  24 PRO CB   C  32.66  0.1  1 
       226 328  25 ARG H    H   8.92  0.02 1 
       227 328  25 ARG HA   H   4.48  0.02 1 
       228 328  25 ARG HB2  H   1.96  0.02 1 
       229 328  25 ARG HB3  H   1.96  0.02 1 
       230 328  25 ARG HG2  H   1.66  0.02 1 
       231 328  25 ARG HG3  H   1.73  0.02 1 
       232 328  25 ARG HD2  H   3.74  0.02 1 
       233 328  25 ARG HD3  H   2.92  0.02 1 
       234 328  25 ARG HE   H   7.26  0.02 1 
       235 328  25 ARG C    C 173.88  0.1  1 
       236 328  25 ARG CA   C  53.88  0.1  1 
       237 328  25 ARG CB   C  34.31  0.1  1 
       238 328  25 ARG N    N 121.29  0.1  1 
       239 328  25 ARG NE   N  84.612 0.02 1 
       240 329  26 LEU H    H   8.14  0.02 1 
       241 329  26 LEU HA   H   5.3   0.02 1 
       242 329  26 LEU HB2  H   1.19  0.02 1 
       243 329  26 LEU HB3  H   1.56  0.02 1 
       244 329  26 LEU HG   H   1.35  0.02 1 
       245 329  26 LEU HD1  H   0.41  0.02 1 
       246 329  26 LEU HD2  H   0.66  0.02 1 
       247 329  26 LEU C    C 175.02  0.1  1 
       248 329  26 LEU CA   C  53.96  0.1  1 
       249 329  26 LEU CB   C  43.79  0.1  1 
       250 329  26 LEU N    N 121.6   0.1  1 
       251 330  27 LEU H    H   9.66  0.02 1 
       252 330  27 LEU HA   H   5.53  0.02 1 
       253 330  27 LEU HB2  H   1.56  0.02 1 
       254 330  27 LEU HB3  H   2.12  0.02 1 
       255 330  27 LEU HG   H   1.2   0.02 1 
       256 330  27 LEU HD1  H   0.91  0.02 1 
       257 330  27 LEU HD2  H   0.67  0.02 1 
       258 330  27 LEU C    C 176.57  0.1  1 
       259 330  27 LEU CA   C  53.52  0.1  1 
       260 330  27 LEU CB   C  45.47  0.1  1 
       261 330  27 LEU N    N 126.67  0.1  1 
       262 331  28 GLY H    H   9.76  0.02 1 
       263 331  28 GLY HA2  H   5.29  0.02 1 
       264 331  28 GLY HA3  H   2.86  0.02 1 
       265 331  28 GLY C    C 172.14  0.1  1 
       266 331  28 GLY CA   C  44.57  0.1  1 
       267 331  28 GLY N    N 112.57  0.1  1 
       268 332  29 ILE H    H   8.95  0.02 1 
       269 332  29 ILE HA   H   5.09  0.02 1 
       270 332  29 ILE HB   H   1.95  0.02 1 
       271 332  29 ILE HG12 H   1.4   0.02 1 
       272 332  29 ILE HG13 H   1.56  0.02 1 
       273 332  29 ILE HG2  H   1.09  0.02 1 
       274 332  29 ILE HD1  H   0.83  0.02 1 
       275 332  29 ILE C    C 175.96  0.1  1 
       276 332  29 ILE CA   C  60.17  0.1  1 
       277 332  29 ILE CB   C  40.37  0.1  1 
       278 332  29 ILE N    N 123.33  0.1  1 
       279 333  30 THR H    H   9.36  0.02 1 
       280 333  30 THR HA   H   4.82  0.02 1 
       281 333  30 THR HB   H   4.52  0.02 1 
       282 333  30 THR HG2  H   1.07  0.02 1 
       283 333  30 THR C    C 171.52  0.1  1 
       284 333  30 THR CA   C  58.86  0.1  1 
       285 333  30 THR CB   C  71.72  0.1  1 
       286 333  30 THR N    N 121.2   0.1  1 
       287 334  31 LYS H    H   7.89  0.02 1 
       288 334  31 LYS HA   H   2.77  0.02 1 
       289 334  31 LYS HB2  H   1.52  0.02 1 
       290 334  31 LYS HB3  H   1.52  0.02 1 
       291 334  31 LYS HG2  H   0.88  0.02 1 
       292 334  31 LYS HG3  H   0.88  0.02 1 
       293 334  31 LYS HD2  H   1.34  0.02 1 
       294 334  31 LYS HD3  H   1.34  0.02 1 
       295 334  31 LYS C    C 175.92  0.1  1 
       296 334  31 LYS CA   C  57.47  0.1  1 
       297 334  31 LYS CB   C  32.23  0.1  1 
       298 334  31 LYS N    N 111.6   0.1  1 
       299 335  32 GLU H    H   7.69  0.02 1 
       300 335  32 GLU HA   H   4.59  0.02 1 
       301 335  32 GLU HB2  H   1.81  0.02 1 
       302 335  32 GLU HB3  H   1.81  0.02 1 
       303 335  32 GLU HG2  H   2.14  0.02 1 
       304 335  32 GLU HG3  H   2.06  0.02 1 
       305 335  32 GLU C    C 177.79  0.1  1 
       306 335  32 GLU CA   C  56.52  0.1  1 
       307 335  32 GLU CB   C  33.05  0.1  1 
       308 335  32 GLU N    N 111.62  0.1  1 
       309 336  33 SER H    H   8.09  0.02 1 
       310 336  33 SER HA   H   5.48  0.02 1 
       311 336  33 SER HB2  H   3.57  0.02 1 
       312 336  33 SER HB3  H   3.8   0.02 1 
       313 336  33 SER C    C 170.85  0.1  1 
       314 336  33 SER CA   C  58.14  0.1  1 
       315 336  33 SER CB   C  67.38  0.1  1 
       316 336  33 SER N    N 117.91  0.1  1 
       317 337  34 VAL H    H   9     0.02 1 
       318 337  34 VAL HA   H   5.09  0.02 1 
       319 337  34 VAL HB   H   2.17  0.02 1 
       320 337  34 VAL HG1  H   1.2   0.02 1 
       321 337  34 VAL HG2  H   1.12  0.02 1 
       322 337  34 VAL C    C 174.66  0.1  1 
       323 337  34 VAL CA   C  60.65  0.1  1 
       324 337  34 VAL CB   C  34.91  0.1  1 
       325 337  34 VAL N    N 117.99  0.1  1 
       326 338  35 MET H    H   9.77  0.02 1 
       327 338  35 MET HA   H   5.4   0.02 1 
       328 338  35 MET HB2  H   1.67  0.02 1 
       329 338  35 MET HB3  H   1.96  0.02 1 
       330 338  35 MET HG2  H   2.28  0.02 1 
       331 338  35 MET HG3  H   2.37  0.02 1 
       332 338  35 MET HE   H   1.81  0.02 1 
       333 338  35 MET C    C 174.95  0.1  1 
       334 338  35 MET CA   C  54.29  0.1  1 
       335 338  35 MET CB   C  37.43  0.1  1 
       336 338  35 MET N    N 122.44  0.1  1 
       337 339  36 ARG H    H   8.78  0.02 1 
       338 339  36 ARG HA   H   4.89  0.02 1 
       339 339  36 ARG HB2  H   1.46  0.02 1 
       340 339  36 ARG HB3  H   1.64  0.02 1 
       341 339  36 ARG HG2  H   1.66  0.02 1 
       342 339  36 ARG HG3  H   1.66  0.02 1 
       343 339  36 ARG HD2  H   2.91  0.02 1 
       344 339  36 ARG HD3  H   3.07  0.02 1 
       345 339  36 ARG HE   H   8.9   0.02 1 
       346 339  36 ARG C    C 175.32  0.1  1 
       347 339  36 ARG CA   C  55.63  0.1  1 
       348 339  36 ARG CB   C  33.04  0.1  1 
       349 339  36 ARG N    N 122     0.1  1 
       350 339  36 ARG NE   N  84.88  0.02 1 
       351 340  37 VAL H    H   9.36  0.02 1 
       352 340  37 VAL HA   H   4.74  0.02 1 
       353 340  37 VAL HB   H   1.94  0.02 1 
       354 340  37 VAL HG1  H   0.65  0.02 1 
       355 340  37 VAL HG2  H   0.91  0.02 1 
       356 340  37 VAL C    C 174.51  0.1  1 
       357 340  37 VAL CA   C  60.62  0.1  1 
       358 340  37 VAL CB   C  35.3   0.1  1 
       359 340  37 VAL N    N 125.64  0.1  1 
       360 341  38 ASP H    H   8.75  0.02 1 
       361 341  38 ASP HA   H   4.43  0.02 1 
       362 341  38 ASP HB2  H   2.43  0.02 1 
       363 341  38 ASP HB3  H   3.05  0.02 1 
       364 341  38 ASP C    C 176.89  0.1  1 
       365 341  38 ASP CA   C  55.37  0.1  1 
       366 341  38 ASP CB   C  43.76  0.1  1 
       367 341  38 ASP N    N 127.55  0.1  1 
       368 342  39 GLU H    H   9.56  0.02 1 
       369 342  39 GLU HA   H   3.81  0.02 1 
       370 342  39 GLU HB2  H   1.91  0.02 1 
       371 342  39 GLU HB3  H   1.91  0.02 1 
       372 342  39 GLU HG2  H   2.12  0.02 1 
       373 342  39 GLU HG3  H   2.12  0.02 1 
       374 342  39 GLU C    C 175.99  0.1  1 
       375 342  39 GLU CA   C  58.95  0.1  1 
       376 342  39 GLU CB   C  29.42  0.1  1 
       377 342  39 GLU N    N 128.48  0.1  1 
       378 343  40 LYS H    H   8.62  0.02 1 
       379 343  40 LYS HA   H   4.28  0.02 1 
       380 343  40 LYS HB2  H   1.96  0.02 1 
       381 343  40 LYS HB3  H   1.96  0.02 1 
       382 343  40 LYS HG2  H   1.32  0.02 1 
       383 343  40 LYS HG3  H   1.46  0.02 1 
       384 343  40 LYS HD2  H   1.67  0.02 1 
       385 343  40 LYS HD3  H   1.67  0.02 1 
       386 343  40 LYS C    C 178.84  0.1  1 
       387 343  40 LYS CA   C  58.07  0.1  1 
       388 343  40 LYS CB   C  33.31  0.1  1 
       389 343  40 LYS N    N 118.7   0.1  1 
       390 344  41 THR H    H   8.39  0.02 1 
       391 344  41 THR HA   H   4.19  0.02 1 
       392 344  41 THR HB   H   4.31  0.02 1 
       393 344  41 THR HG2  H   1.13  0.02 1 
       394 344  41 THR C    C 176.13  0.1  1 
       395 344  41 THR CA   C  62.08  0.1  1 
       396 344  41 THR CB   C  70.55  0.1  1 
       397 344  41 THR N    N 108.43  0.1  1 
       398 345  42 LYS H    H   8.04  0.02 1 
       399 345  42 LYS HA   H   3.74  0.02 1 
       400 345  42 LYS HB2  H   1.89  0.02 1 
       401 345  42 LYS HB3  H   2.07  0.02 1 
       402 345  42 LYS HG2  H   1     0.02 1 
       403 345  42 LYS HG3  H   1.35  0.02 1 
       404 345  42 LYS HD2  H   1.2   0.02 1 
       405 345  42 LYS HD3  H   1.2   0.02 1 
       406 345  42 LYS HE2  H   2.6   0.02 1 
       407 345  42 LYS HE3  H   2.6   0.02 1 
       408 345  42 LYS C    C 174.83  0.1  1 
       409 345  42 LYS CA   C  57.22  0.1  1 
       410 345  42 LYS CB   C  28.65  0.1  1 
       411 345  42 LYS N    N 115.17  0.1  1 
       412 346  43 GLU H    H   7.53  0.02 1 
       413 346  43 GLU HA   H   4.16  0.02 1 
       414 346  43 GLU HB2  H   1.77  0.02 1 
       415 346  43 GLU HB3  H   1.77  0.02 1 
       416 346  43 GLU HG2  H   2     0.02 1 
       417 346  43 GLU HG3  H   2.14  0.02 1 
       418 346  43 GLU C    C 176.11  0.1  1 
       419 346  43 GLU CA   C  56.14  0.1  1 
       420 346  43 GLU CB   C  31.03  0.1  1 
       421 346  43 GLU N    N 117.53  0.1  1 
       422 347  44 VAL H    H   8.77  0.02 1 
       423 347  44 VAL HA   H   3.84  0.02 1 
       424 347  44 VAL HB   H   1.98  0.02 1 
       425 347  44 VAL HG1  H   0.72  0.02 1 
       426 347  44 VAL HG2  H   1     0.02 1 
       427 347  44 VAL C    C 176.34  0.1  1 
       428 347  44 VAL CA   C  63.86  0.1  1 
       429 347  44 VAL CB   C  31.75  0.1  1 
       430 347  44 VAL N    N 124.41  0.1  1 
       431 348  45 ILE H    H   8.98  0.02 1 
       432 348  45 ILE HA   H   3.96  0.02 1 
       433 348  45 ILE HB   H   1.48  0.02 1 
       434 348  45 ILE HG12 H   0.83  0.02 1 
       435 348  45 ILE HG13 H   0.96  0.02 1 
       436 348  45 ILE HG2  H   0.83  0.02 1 
       437 348  45 ILE HD1  H   0.74  0.02 1 
       438 348  45 ILE C    C 176.18  0.1  1 
       439 348  45 ILE CA   C  62.69  0.1  1 
       440 348  45 ILE CB   C  39.41  0.1  1 
       441 348  45 ILE N    N 128.46  0.1  1 
       442 349  46 GLN H    H   7.4   0.02 1 
       443 349  46 GLN HA   H   4.08  0.02 1 
       444 349  46 GLN HB2  H   0.64  0.02 1 
       445 349  46 GLN HB3  H   0.99  0.02 1 
       446 349  46 GLN HG2  H   1.66  0.02 1 
       447 349  46 GLN HG3  H   1.66  0.02 1 
       448 349  46 GLN HE21 H   7.01  0.02 1 
       449 349  46 GLN HE22 H   6.68  0.02 1 
       450 349  46 GLN C    C 171.77  0.1  1 
       451 349  46 GLN CA   C  55.42  0.1  1 
       452 349  46 GLN CB   C  32.48  0.1  1 
       453 349  46 GLN N    N 118.37  0.1  1 
       454 349  46 GLN NE2  N 110.36  0.02 1 
       455 350  47 GLU H    H   8.21  0.02 1 
       456 350  47 GLU HA   H   4.92  0.02 1 
       457 350  47 GLU HB2  H   1.67  0.02 1 
       458 350  47 GLU HB3  H   1.67  0.02 1 
       459 350  47 GLU HG2  H   1.94  0.02 1 
       460 350  47 GLU HG3  H   1.94  0.02 1 
       461 350  47 GLU C    C 173.78  0.1  1 
       462 350  47 GLU CA   C  54.64  0.1  1 
       463 350  47 GLU CB   C  33.57  0.1  1 
       464 350  47 GLU N    N 124.4   0.1  1 
       465 351  48 TRP H    H   9.38  0.02 1 
       466 351  48 TRP HA   H   4.84  0.02 1 
       467 351  48 TRP HB2  H   2.79  0.02 1 
       468 351  48 TRP HB3  H   2.73  0.02 1 
       469 351  48 TRP HD1  H   6.33  0.02 1 
       470 351  48 TRP HE1  H   8.99  0.02 1 
       471 351  48 TRP HE3  H   7.26  0.02 1 
       472 351  48 TRP HZ2  H   6.85  0.02 1 
       473 351  48 TRP HZ3  H   6.21  0.02 1 
       474 351  48 TRP HH2  H   5.67  0.02 1 
       475 351  48 TRP C    C 175.76  0.1  1 
       476 351  48 TRP CA   C  56.95  0.1  1 
       477 351  48 TRP CB   C  32.67  0.1  1 
       478 351  48 TRP N    N 123.42  0.1  1 
       479 351  48 TRP NE1  N 128.48  0.02 1 
       480 352  49 SER H    H   8.63  0.02 1 
       481 352  49 SER HA   H   4.82  0.02 1 
       482 352  49 SER HB2  H   3.9   0.02 1 
       483 352  49 SER HB3  H   3.98  0.02 1 
       484 352  49 SER C    C 177.7   0.1  1 
       485 352  49 SER CA   C  57.9   0.1  1 
       486 352  49 SER CB   C  63.32  0.1  1 
       487 352  49 SER N    N 116.13  0.1  1 
       488 353  50 LEU H    H   8.47  0.02 1 
       489 353  50 LEU HA   H   4.1   0.02 1 
       490 353  50 LEU HB2  H   1.56  0.02 1 
       491 353  50 LEU HB3  H   1.42  0.02 1 
       492 353  50 LEU HG   H   1.34  0.02 1 
       493 353  50 LEU HD1  H   0.93  0.02 1 
       494 353  50 LEU HD2  H   0.85  0.02 1 
       495 353  50 LEU C    C 180.01  0.1  1 
       496 353  50 LEU CA   C  57.97  0.1  1 
       497 353  50 LEU CB   C  41.82  0.1  1 
       498 353  50 LEU N    N 125.8   0.1  1 
       499 354  51 THR H    H   8.03  0.02 1 
       500 354  51 THR HA   H   3.99  0.02 1 
       501 354  51 THR HB   H   4.4   0.02 1 
       502 354  51 THR HG2  H   1.3   0.02 1 
       503 354  51 THR C    C 175.19  0.1  1 
       504 354  51 THR CA   C  64.15  0.1  1 
       505 354  51 THR CB   C  68.69  0.1  1 
       506 354  51 THR N    N 106.5   0.1  1 
       507 355  52 ASN H    H   7.89  0.02 1 
       508 355  52 ASN HA   H   4.91  0.02 1 
       509 355  52 ASN HB2  H   2.81  0.02 1 
       510 355  52 ASN HB3  H   3.06  0.02 1 
       511 355  52 ASN HD21 H   7.38  0.02 1 
       512 355  52 ASN HD22 H   6.98  0.02 1 
       513 355  52 ASN C    C 174.87  0.1  1 
       514 355  52 ASN CA   C  53.67  0.1  1 
       515 355  52 ASN CB   C  39.71  0.1  1 
       516 355  52 ASN N    N 118.71  0.1  1 
       517 355  52 ASN ND2  N 111.04  0.02 1 
       518 356  53 ILE H    H   7.2   0.02 1 
       519 356  53 ILE HA   H   3.61  0.02 1 
       520 356  53 ILE HB   H   1.98  0.02 1 
       521 356  53 ILE HG13 H   1.96  0.02 1 
       522 356  53 ILE HG2  H   0.93  0.02 1 
       523 356  53 ILE HD1  H   0.83  0.02 1 
       524 356  53 ILE C    C 175.64  0.1  1 
       525 356  53 ILE CA   C  63.27  0.1  1 
       526 356  53 ILE CB   C  38.33  0.1  1 
       527 356  53 ILE N    N 117.65  0.1  1 
       528 357  54 LYS H    H   9.33  0.02 1 
       529 357  54 LYS HA   H   4.18  0.02 1 
       530 357  54 LYS HB2  H   1.49  0.02 1 
       531 357  54 LYS HB3  H   1.49  0.02 1 
       532 357  54 LYS HG2  H   0.9   0.02 1 
       533 357  54 LYS HG3  H   0.9   0.02 1 
       534 357  54 LYS HD2  H   1.36  0.02 1 
       535 357  54 LYS HD3  H   1.36  0.02 1 
       536 357  54 LYS C    C 175.93  0.1  1 
       537 357  54 LYS CA   C  57.85  0.1  1 
       538 357  54 LYS CB   C  33.49  0.1  1 
       539 357  54 LYS N    N 128.94  0.1  1 
       540 358  55 ARG H    H   7.79  0.02 1 
       541 358  55 ARG HA   H   4.78  0.02 1 
       542 358  55 ARG HB2  H   0.93  0.02 1 
       543 358  55 ARG HB3  H   0.93  0.02 1 
       544 358  55 ARG HG2  H   1.13  0.02 1 
       545 358  55 ARG HG3  H   1.13  0.02 1 
       546 358  55 ARG HE   H   7.32  0.02 1 
       547 358  55 ARG C    C 172.76  0.1  1 
       548 358  55 ARG CA   C  54.03  0.1  1 
       549 358  55 ARG CB   C  33.25  0.1  1 
       550 358  55 ARG N    N 112.35  0.1  1 
       551 358  55 ARG NE   N  83.88  0.02 1 
       552 359  56 TRP H    H   8.7   0.02 1 
       553 359  56 TRP HA   H   5.51  0.02 1 
       554 359  56 TRP HB2  H   3.16  0.02 1 
       555 359  56 TRP HB3  H   2.95  0.02 1 
       556 359  56 TRP HD1  H   6.8   0.02 1 
       557 359  56 TRP HE1  H  10.38  0.02 1 
       558 359  56 TRP HE3  H   7.07  0.02 1 
       559 359  56 TRP HZ2  H   7.37  0.02 1 
       560 359  56 TRP HZ3  H   6.65  0.02 1 
       561 359  56 TRP HH2  H   6.99  0.02 1 
       562 359  56 TRP C    C 173.32  0.1  1 
       563 359  56 TRP CA   C  56.22  0.1  1 
       564 359  56 TRP CB   C  32.22  0.1  1 
       565 359  56 TRP N    N 117.53  0.1  1 
       566 359  56 TRP NE1  N 129.49  0.02 1 
       567 360  57 ALA H    H   8.33  0.02 1 
       568 360  57 ALA HA   H   4.61  0.02 1 
       569 360  57 ALA HB   H  -0.12  0.02 1 
       570 360  57 ALA C    C 175.78  0.1  1 
       571 360  57 ALA CA   C  51.47  0.1  1 
       572 360  57 ALA CB   C  22.48  0.1  1 
       573 360  57 ALA N    N 119.33  0.1  1 
       574 361  58 ALA H    H   9.17  0.02 1 
       575 361  58 ALA HA   H   5.19  0.02 1 
       576 361  58 ALA HB   H   1.41  0.02 1 
       577 361  58 ALA C    C 175.14  0.1  1 
       578 361  58 ALA CA   C  50.71  0.1  1 
       579 361  58 ALA CB   C  21.81  0.1  1 
       580 361  58 ALA N    N 127.13  0.1  1 
       581 362  59 SER H    H   9.01  0.02 1 
       582 362  59 SER HA   H   4.98  0.02 1 
       583 362  59 SER HB2  H   3.34  0.02 1 
       584 362  59 SER HB3  H   4.31  0.02 1 
       585 362  59 SER CA   C  56.99  0.1  1 
       586 362  59 SER N    N 121.16  0.1  1 
       587 363  60 PRO HA   H   4.49  0.02 1 
       588 363  60 PRO HB2  H   1.6   0.02 1 
       589 363  60 PRO HB3  H   1.6   0.02 1 
       590 363  60 PRO HG2  H   2.12  0.02 1 
       591 363  60 PRO HG3  H   2.12  0.02 1 
       592 363  60 PRO HD2  H   3.71  0.02 1 
       593 363  60 PRO HD3  H   3.89  0.02 1 
       594 363  60 PRO C    C 176.47  0.1  1 
       595 364  61 LYS H    H   7.75  0.02 1 
       596 364  61 LYS HA   H   4.8   0.02 1 
       597 364  61 LYS HB2  H   2.08  0.02 1 
       598 364  61 LYS HB3  H   2.08  0.02 1 
       599 364  61 LYS HG2  H   1.3   0.02 1 
       600 364  61 LYS HG3  H   1.3   0.02 1 
       601 364  61 LYS HD2  H   1.93  0.02 1 
       602 364  61 LYS HD3  H   1.93  0.02 1 
       603 364  61 LYS C    C 177.13  0.1  1 
       604 364  61 LYS CA   C  54.83  0.1  1 
       605 364  61 LYS CB   C  35.28  0.1  1 
       606 364  61 LYS N    N 110.99  0.1  1 
       607 365  62 SER H    H   7.8   0.02 1 
       608 365  62 SER HA   H   5.68  0.02 1 
       609 365  62 SER HB2  H   3.66  0.02 1 
       610 365  62 SER HB3  H   3.68  0.02 1 
       611 365  62 SER C    C 171.18  0.1  1 
       612 365  62 SER CA   C  58.14  0.1  1 
       613 365  62 SER CB   C  67.85  0.1  1 
       614 365  62 SER N    N 115.14  0.1  1 
       615 366  63 PHE H    H   8.82  0.02 1 
       616 366  63 PHE HA   H   5.09  0.02 1 
       617 366  63 PHE HB2  H   2.5   0.02 1 
       618 366  63 PHE HB3  H   2.8   0.02 1 
       619 366  63 PHE HD1  H   6.92  0.02 1 
       620 366  63 PHE HD2  H   6.92  0.02 1 
       621 366  63 PHE HE1  H   6.86  0.02 1 
       622 366  63 PHE HE2  H   6.86  0.02 1 
       623 366  63 PHE HZ   H   6.62  0.02 1 
       624 366  63 PHE C    C 173.01  0.1  1 
       625 366  63 PHE CA   C  56.25  0.1  1 
       626 366  63 PHE CB   C  43.67  0.1  1 
       627 366  63 PHE N    N 118.88  0.1  1 
       628 367  64 THR H    H   7.91  0.02 1 
       629 367  64 THR HA   H   5.07  0.02 1 
       630 367  64 THR HB   H   3.14  0.02 1 
       631 367  64 THR HG2  H   0.88  0.02 1 
       632 367  64 THR C    C 171.93  0.1  1 
       633 367  64 THR CA   C  61.6   0.1  1 
       634 367  64 THR CB   C  72.16  0.1  1 
       635 367  64 THR N    N 122.58  0.1  1 
       636 368  65 LEU H    H   9.07  0.02 1 
       637 368  65 LEU HA   H   4.35  0.02 1 
       638 368  65 LEU HB2  H   1.47  0.02 1 
       639 368  65 LEU HB3  H   1.47  0.02 1 
       640 368  65 LEU HG   H   1.47  0.02 1 
       641 368  65 LEU HD1  H   0.87  0.02 1 
       642 368  65 LEU HD2  H   0.41  0.02 1 
       643 368  65 LEU C    C 173.19  0.1  1 
       644 368  65 LEU CA   C  53.76  0.1  1 
       645 368  65 LEU CB   C  46.19  0.1  1 
       646 368  65 LEU N    N 124.3   0.1  1 
       647 369  66 ASP H    H   8.01  0.02 1 
       648 369  66 ASP HA   H   4.85  0.02 1 
       649 369  66 ASP HB2  H   2.41  0.02 1 
       650 369  66 ASP HB3  H   2.73  0.02 1 
       651 369  66 ASP C    C 176.1   0.1  1 
       652 369  66 ASP CA   C  52.13  0.1  1 
       653 369  66 ASP CB   C  43.19  0.1  1 
       654 369  66 ASP N    N 119.36  0.1  1 
       655 370  67 PHE H    H   9.25  0.02 1 
       656 370  67 PHE HA   H   4.93  0.02 1 
       657 370  67 PHE HB2  H   2.71  0.02 1 
       658 370  67 PHE HB3  H   3.48  0.02 1 
       659 370  67 PHE HD1  H   6.67  0.02 1 
       660 370  67 PHE HD2  H   6.67  0.02 1 
       661 370  67 PHE HE1  H   6.21  0.02 1 
       662 370  67 PHE HE2  H   6.21  0.02 1 
       663 370  67 PHE HZ   H   5.48  0.02 1 
       664 370  67 PHE C    C 176.56  0.1  1 
       665 370  67 PHE CA   C  57.62  0.1  1 
       666 370  67 PHE CB   C  40.01  0.1  1 
       667 370  67 PHE N    N 125.69  0.1  1 
       668 371  68 GLY H    H   9.26  0.02 1 
       669 371  68 GLY HA2  H   3.92  0.02 1 
       670 371  68 GLY HA3  H   3.69  0.02 1 
       671 371  68 GLY C    C 174.93  0.1  1 
       672 371  68 GLY CA   C  46.79  0.1  1 
       673 371  68 GLY N    N 111.02  0.1  1 
       674 372  69 ASP H    H   8.58  0.02 1 
       675 372  69 ASP HA   H   4.55  0.02 1 
       676 372  69 ASP HB2  H   2.51  0.02 1 
       677 372  69 ASP HB3  H   2.7   0.02 1 
       678 372  69 ASP C    C 176.42  0.1  1 
       679 372  69 ASP CA   C  54.55  0.1  1 
       680 372  69 ASP CB   C  40.9   0.1  1 
       681 372  69 ASP N    N 122.48  0.1  1 
       682 373  70 TYR H    H   8.22  0.02 1 
       683 373  70 TYR HA   H   4.3   0.02 1 
       684 373  70 TYR HB2  H   3.21  0.02 1 
       685 373  70 TYR HB3  H   3.21  0.02 1 
       686 373  70 TYR HD1  H   7.24  0.02 1 
       687 373  70 TYR HD2  H   7.24  0.02 1 
       688 373  70 TYR HE1  H   6.86  0.02 1 
       689 373  70 TYR HE2  H   6.86  0.02 1 
       690 373  70 TYR C    C 175.93  0.1  1 
       691 373  70 TYR CA   C  59.88  0.1  1 
       692 373  70 TYR CB   C  42.18  0.1  1 
       693 373  70 TYR N    N 119.82  0.1  1 
       694 374  71 GLN H    H   7.83  0.02 1 
       695 374  71 GLN HA   H   4.35  0.02 1 
       696 374  71 GLN HB2  H   2.06  0.02 1 
       697 374  71 GLN HB3  H   2.17  0.02 1 
       698 374  71 GLN HG2  H   2.31  0.02 1 
       699 374  71 GLN HG3  H   2.31  0.02 1 
       700 374  71 GLN C    C 174.66  0.1  1 
       701 374  71 GLN CA   C  55.99  0.1  1 
       702 374  71 GLN CB   C  29.78  0.1  1 
       703 374  71 GLN N    N 116.59  0.1  1 
       704 375  72 ASP H    H   8.33  0.02 1 
       705 375  72 ASP HA   H   4.65  0.02 1 
       706 375  72 ASP HB2  H   2.59  0.02 1 
       707 375  72 ASP HB3  H   2.74  0.02 1 
       708 375  72 ASP C    C 176.52  0.1  1 
       709 375  72 ASP CA   C  54.59  0.1  1 
       710 375  72 ASP CB   C  40.86  0.1  1 
       711 375  72 ASP N    N 120.64  0.1  1 
       712 376  73 GLY H    H   8.16  0.02 1 
       713 376  73 GLY HA2  H   4.11  0.02 1 
       714 376  73 GLY HA3  H   3.69  0.02 1 
       715 376  73 GLY C    C 174.1   0.1  1 
       716 376  73 GLY CA   C  44.97  0.1  1 
       717 376  73 GLY N    N 111.07  0.1  1 
       718 377  74 TYR H    H   8.14  0.02 1 
       719 377  74 TYR HA   H   5.2   0.02 1 
       720 377  74 TYR HB2  H   2.8   0.02 1 
       721 377  74 TYR HB3  H   3.13  0.02 1 
       722 377  74 TYR HD1  H   7.06  0.02 1 
       723 377  74 TYR HD2  H   7.06  0.02 1 
       724 377  74 TYR HE1  H   6.75  0.02 1 
       725 377  74 TYR HE2  H   6.75  0.02 1 
       726 377  74 TYR C    C 180.5   0.1  1 
       727 377  74 TYR CA   C  55.33  0.1  1 
       728 377  74 TYR CB   C  39.94  0.1  1 
       729 377  74 TYR N    N 120.39  0.1  1 
       730 378  75 TYR H    H   8.84  0.02 1 
       731 378  75 TYR HA   H   5.19  0.02 1 
       732 378  75 TYR HB2  H   2.73  0.02 1 
       733 378  75 TYR HB3  H   3.12  0.02 1 
       734 378  75 TYR HD1  H   7.1   0.02 1 
       735 378  75 TYR HD2  H   7.1   0.02 1 
       736 378  75 TYR HE1  H   6.84  0.02 1 
       737 378  75 TYR HE2  H   6.84  0.02 1 
       738 378  75 TYR C    C 173.38  0.1  1 
       739 378  75 TYR CA   C  57.26  0.1  1 
       740 378  75 TYR CB   C  41.15  0.1  1 
       741 378  75 TYR N    N 123.05  0.1  1 
       742 379  76 SER H    H   8.23  0.02 1 
       743 379  76 SER HA   H   5.36  0.02 1 
       744 379  76 SER HB2  H   3.47  0.02 1 
       745 379  76 SER HB3  H   3.63  0.02 1 
       746 379  76 SER C    C 173.06  0.1  1 
       747 379  76 SER CA   C  56.74  0.1  1 
       748 379  76 SER CB   C  65.21  0.1  1 
       749 379  76 SER N    N 122.53  0.1  1 
       750 380  77 VAL H    H   9.07  0.02 1 
       751 380  77 VAL HA   H   5     0.02 1 
       752 380  77 VAL HB   H   1.95  0.02 1 
       753 380  77 VAL HG1  H   0.87  0.02 1 
       754 380  77 VAL HG2  H   0.67  0.02 1 
       755 380  77 VAL C    C 174.55  0.1  1 
       756 380  77 VAL CA   C  58.12  0.1  1 
       757 380  77 VAL CB   C  36.31  0.1  1 
       758 380  77 VAL N    N 114.95  0.1  1 
       759 381  78 GLN H    H   9.31  0.02 1 
       760 381  78 GLN HA   H   4.85  0.02 1 
       761 381  78 GLN HB2  H   1.95  0.02 1 
       762 381  78 GLN HB3  H   2.19  0.02 1 
       763 381  78 GLN HG2  H   2.43  0.02 1 
       764 381  78 GLN HG3  H   2.43  0.02 1 
       765 381  78 GLN HE21 H   7.49  0.02 1 
       766 381  78 GLN HE22 H   6.81  0.02 1 
       767 381  78 GLN C    C 175.97  0.1  1 
       768 381  78 GLN CA   C  55.07  0.1  1 
       769 381  78 GLN CB   C  29.94  0.1  1 
       770 381  78 GLN N    N 122.91  0.1  1 
       771 381  78 GLN NE2  N 110.41  0.02 1 
       772 382  79 THR H    H   7.72  0.02 1 
       773 382  79 THR HA   H   4.81  0.02 1 
       774 382  79 THR HB   H   4.59  0.02 1 
       775 382  79 THR HG2  H   0.82  0.02 1 
       776 382  79 THR C    C 172.4   0.1  1 
       777 382  79 THR CA   C  60.15  0.1  1 
       778 382  79 THR CB   C  67.05  0.1  1 
       779 382  79 THR N    N 122.06  0.1  1 
       780 383  80 THR H    H   8.71  0.02 1 
       781 383  80 THR HA   H   4.93  0.02 1 
       782 383  80 THR HB   H   4.7   0.02 1 
       783 383  80 THR HG2  H   1.31  0.02 1 
       784 383  80 THR C    C 176.12  0.1  1 
       785 383  80 THR CA   C  62.51  0.1  1 
       786 383  80 THR CB   C  68.72  0.1  1 
       787 383  80 THR N    N 117.86  0.1  1 
       788 384  81 GLU H    H   9.19  0.02 1 
       789 384  81 GLU HA   H   4.79  0.02 1 
       790 384  81 GLU HB2  H   1.68  0.02 1 
       791 384  81 GLU HB3  H   2.11  0.02 1 
       792 384  81 GLU HG2  H   2.22  0.02 1 
       793 384  81 GLU HG3  H   2.46  0.02 1 
       794 384  81 GLU C    C 176.17  0.1  1 
       795 384  81 GLU CA   C  55.5   0.1  1 
       796 384  81 GLU CB   C  30.14  0.1  1 
       797 384  81 GLU N    N 123.86  0.1  1 
       798 385  82 GLY H    H   9.19  0.02 1 
       799 385  82 GLY HA2  H   3.82  0.02 1 
       800 385  82 GLY HA3  H   3.19  0.02 1 
       801 385  82 GLY C    C 174.57  0.1  1 
       802 385  82 GLY CA   C  47.88  0.1  1 
       803 385  82 GLY N    N 110.64  0.1  1 
       804 386  83 GLU H    H   8.74  0.02 1 
       805 386  83 GLU HA   H   3.97  0.02 1 
       806 386  83 GLU HB2  H   1.87  0.02 1 
       807 386  83 GLU HB3  H   1.87  0.02 1 
       808 386  83 GLU HG2  H   2.1   0.02 1 
       809 386  83 GLU HG3  H   2.22  0.02 1 
       810 386  83 GLU C    C 178.86  0.1  1 
       811 386  83 GLU CA   C  59.3   0.1  1 
       812 386  83 GLU CB   C  29.01  0.1  1 
       813 386  83 GLU N    N 118.88  0.1  1 
       814 387  84 GLN H    H   7.52  0.02 1 
       815 387  84 GLN HA   H   3.94  0.02 1 
       816 387  84 GLN HB2  H   2.04  0.02 1 
       817 387  84 GLN HB3  H   2.22  0.02 1 
       818 387  84 GLN HG2  H   2.36  0.02 1 
       819 387  84 GLN HG3  H   2.52  0.02 1 
       820 387  84 GLN HE21 H   7.59  0.02 1 
       821 387  84 GLN HE22 H   6.98  0.02 1 
       822 387  84 GLN C    C 178.83  0.1  1 
       823 387  84 GLN CA   C  59.43  0.1  1 
       824 387  84 GLN CB   C  28.41  0.1  1 
       825 387  84 GLN N    N 119.76  0.1  1 
       826 387  84 GLN NE2  N 111.99  0.02 1 
       827 388  85 ILE H    H   7.72  0.02 1 
       828 388  85 ILE HA   H   2.61  0.02 1 
       829 388  85 ILE HB   H   0.44  0.02 1 
       830 388  85 ILE HG12 H  -1.29  0.02 1 
       831 388  85 ILE HG13 H   0.41  0.02 1 
       832 388  85 ILE HG2  H  -0.42  0.02 1 
       833 388  85 ILE HD1  H  -0.08  0.02 1 
       834 388  85 ILE C    C 177.14  0.1  1 
       835 388  85 ILE CA   C  65.52  0.1  1 
       836 388  85 ILE CB   C  41.48  0.1  1 
       837 388  85 ILE N    N 121.65  0.1  1 
       838 389  86 ALA H    H   7.99  0.02 1 
       839 389  86 ALA HA   H   3.24  0.02 1 
       840 389  86 ALA HB   H   1.52  0.02 1 
       841 389  86 ALA C    C 178.82  0.1  1 
       842 389  86 ALA CA   C  55.05  0.1  1 
       843 389  86 ALA CB   C  18.82  0.1  1 
       844 389  86 ALA N    N 119.35  0.1  1 
       845 390  87 GLN H    H   7.64  0.02 1 
       846 390  87 GLN HA   H   3.94  0.02 1 
       847 390  87 GLN HB2  H   1.98  0.02 1 
       848 390  87 GLN HB3  H   2.06  0.02 1 
       849 390  87 GLN HG2  H   2.48  0.02 1 
       850 390  87 GLN HG3  H   2.36  0.02 1 
       851 390  87 GLN HE21 H   6.8   0.02 1 
       852 390  87 GLN HE22 H   7.5   0.02 1 
       853 390  87 GLN C    C 178.75  0.1  1 
       854 390  87 GLN CA   C  58.6   0.1  1 
       855 390  87 GLN CB   C  28.67  0.1  1 
       856 390  87 GLN N    N 115.39  0.1  1 
       857 390  87 GLN NE2  N 111.56  0.02 1 
       858 391  88 LEU H    H   7.47  0.02 1 
       859 391  88 LEU HA   H   3.74  0.02 1 
       860 391  88 LEU HB2  H   1.44  0.02 1 
       861 391  88 LEU HB3  H   1.6   0.02 1 
       862 391  88 LEU HG   H   1.3   0.02 1 
       863 391  88 LEU HD1  H   0.76  0.02 1 
       864 391  88 LEU HD2  H   0.83  0.02 1 
       865 391  88 LEU C    C 178.51  0.1  1 
       866 391  88 LEU CA   C  57.46  0.1  1 
       867 391  88 LEU CB   C  42.61  0.1  1 
       868 391  88 LEU N    N 121.72  0.1  1 
       869 392  89 ILE H    H   7.79  0.02 1 
       870 392  89 ILE HA   H   3.24  0.02 1 
       871 392  89 ILE HB   H   1.13  0.02 1 
       872 392  89 ILE HG12 H   0.72  0.02 1 
       873 392  89 ILE HG13 H   1.42  0.02 1 
       874 392  89 ILE HG2  H   0.08  0.02 1 
       875 392  89 ILE HD1  H   0.49  0.02 1 
       876 392  89 ILE C    C 177.1   0.1  1 
       877 392  89 ILE CA   C  65.98  0.1  1 
       878 392  89 ILE CB   C  37.68  0.1  1 
       879 392  89 ILE N    N 117.5   0.1  1 
       880 393  90 ALA H    H   8.47  0.02 1 
       881 393  90 ALA HA   H   3.85  0.02 1 
       882 393  90 ALA HB   H   1.59  0.02 1 
       883 393  90 ALA C    C 181.34  0.1  1 
       884 393  90 ALA CA   C  55.54  0.1  1 
       885 393  90 ALA CB   C  18.79  0.1  1 
       886 393  90 ALA N    N 120.24  0.1  1 
       887 394  91 GLY H    H   7.94  0.02 1 
       888 394  91 GLY HA2  H   3.9   0.02 1 
       889 394  91 GLY HA3  H   3.9   0.02 1 
       890 394  91 GLY C    C 177.24  0.1  1 
       891 394  91 GLY CA   C  46.99  0.1  1 
       892 394  91 GLY N    N 105.13  0.1  1 
       893 395  92 TYR H    H   8.08  0.02 1 
       894 395  92 TYR HA   H   4.8   0.02 1 
       895 395  92 TYR HB2  H   2.94  0.02 1 
       896 395  92 TYR HB3  H   3.06  0.02 1 
       897 395  92 TYR HD1  H   6.86  0.02 1 
       898 395  92 TYR HD2  H   6.86  0.02 1 
       899 395  92 TYR HE1  H   6.5   0.02 1 
       900 395  92 TYR HE2  H   6.5   0.02 1 
       901 395  92 TYR C    C 176.57  0.1  1 
       902 395  92 TYR CA   C  58.02  0.1  1 
       903 395  92 TYR CB   C  37.41  0.1  1 
       904 395  92 TYR N    N 122.1   0.1  1 
       905 396  93 ILE H    H   8.83  0.02 1 
       906 396  93 ILE HA   H   3.74  0.02 1 
       907 396  93 ILE HB   H   2.07  0.02 1 
       908 396  93 ILE HG12 H   1.07  0.02 1 
       909 396  93 ILE HG13 H   1.91  0.02 1 
       910 396  93 ILE HG2  H   0.91  0.02 1 
       911 396  93 ILE HD1  H   0.94  0.02 1 
       912 396  93 ILE C    C 177.17  0.1  1 
       913 396  93 ILE CA   C  66.1   0.1  1 
       914 396  93 ILE CB   C  37.41  0.1  1 
       915 396  93 ILE N    N 122.98  0.1  1 
       916 397  94 ASP H    H   8.07  0.02 1 
       917 397  94 ASP HA   H   4.49  0.02 1 
       918 397  94 ASP HB2  H   2.72  0.02 1 
       919 397  94 ASP HB3  H   2.86  0.02 1 
       920 397  94 ASP C    C 178.47  0.1  1 
       921 397  94 ASP CA   C  57.92  0.1  1 
       922 397  94 ASP N    N 120.66  0.1  1 
       923 398  95 ILE H    H   7.38  0.02 1 
       924 398  95 ILE HA   H   3.69  0.02 1 
       925 398  95 ILE HB   H   2.08  0.02 1 
       926 398  95 ILE HG12 H   1.21  0.02 1 
       927 398  95 ILE HG13 H   1.96  0.02 1 
       928 398  95 ILE HG2  H   0.95  0.02 1 
       929 398  95 ILE HD1  H   1     0.02 1 
       930 398  95 ILE C    C 179.25  0.1  1 
       931 398  95 ILE CA   C  65.28  0.1  1 
       932 398  95 ILE CB   C  38.49  0.1  1 
       933 398  95 ILE N    N 117.51  0.1  1 
       934 399  96 ILE H    H   7.46  0.02 1 
       935 399  96 ILE HA   H   3.58  0.02 1 
       936 399  96 ILE HB   H   2.04  0.02 1 
       937 399  96 ILE HG12 H   1.07  0.02 1 
       938 399  96 ILE HG13 H   1.66  0.02 1 
       939 399  96 ILE HG2  H   0.89  0.02 1 
       940 399  96 ILE HD1  H   0.93  0.02 1 
       941 399  96 ILE C    C 178.88  0.1  1 
       942 399  96 ILE CA   C  65.83  0.1  1 
       943 399  96 ILE CB   C  38.67  0.1  1 
       944 399  96 ILE N    N 121.33  0.1  1 
       945 400  97 LEU H    H   8.56  0.02 1 
       946 400  97 LEU HA   H   3.91  0.02 1 
       947 400  97 LEU HB2  H   2.01  0.02 1 
       948 400  97 LEU HB3  H   2.01  0.02 1 
       949 400  97 LEU HG   H   1.6   0.02 1 
       950 400  97 LEU HD1  H   0.82  0.02 1 
       951 400  97 LEU HD2  H   0.87  0.02 1 
       952 400  97 LEU C    C 178.91  0.1  1 
       953 400  97 LEU CA   C  57.9   0.1  1 
       954 400  97 LEU CB   C  41.75  0.1  1 
       955 400  97 LEU N    N 120.56  0.1  1 
       956 401  98 LYS H    H   7.92  0.02 1 
       957 401  98 LYS HA   H   4.05  0.02 1 
       958 401  98 LYS HB2  H   1.87  0.02 1 
       959 401  98 LYS HB3  H   1.93  0.02 1 
       960 401  98 LYS HG2  H   1.45  0.02 1 
       961 401  98 LYS HG3  H   1.45  0.02 1 
       962 401  98 LYS HD2  H   1.6   0.02 1 
       963 401  98 LYS HD3  H   1.6   0.02 1 
       964 401  98 LYS HE2  H   2.95  0.02 1 
       965 401  98 LYS HE3  H   2.95  0.02 1 
       966 401  98 LYS C    C 178.01  0.1  1 
       967 401  98 LYS CA   C  58.14  0.1  1 
       968 401  98 LYS CB   C  32.38  0.1  1 
       969 401  98 LYS N    N 117.44  0.1  1 
       970 402  99 LYS H    H   7.74  0.02 1 
       971 402  99 LYS HA   H   4.17  0.02 1 
       972 402  99 LYS HB2  H   1.89  0.02 1 
       973 402  99 LYS HB3  H   1.89  0.02 1 
       974 402  99 LYS HG2  H   1.47  0.02 1 
       975 402  99 LYS HG3  H   1.47  0.02 1 
       976 402  99 LYS HD2  H   1.58  0.02 1 
       977 402  99 LYS HD3  H   1.58  0.02 1 
       978 402  99 LYS HE2  H   2.94  0.02 1 
       979 402  99 LYS HE3  H   2.94  0.02 1 
       980 402  99 LYS C    C 177.33  0.1  1 
       981 402  99 LYS CA   C  57.59  0.1  1 
       982 402  99 LYS CB   C  32.85  0.1  1 
       983 402  99 LYS N    N 119.12  0.1  1 
       984 403 100 LYS H    H   7.91  0.02 1 
       985 403 100 LYS HA   H   4.24  0.02 1 
       986 403 100 LYS HB2  H   1.86  0.02 1 
       987 403 100 LYS HB3  H   1.86  0.02 1 
       988 403 100 LYS HG2  H   1.54  0.02 1 
       989 403 100 LYS HG3  H   1.54  0.02 1 
       990 403 100 LYS HD2  H   1.64  0.02 1 
       991 403 100 LYS HD3  H   1.64  0.02 1 
       992 403 100 LYS HE2  H   2.95  0.02 1 
       993 403 100 LYS HE3  H   2.95  0.02 1 
       994 403 100 LYS CA   C  57.04  0.1  1 
       995 403 100 LYS CB   C  33.13  0.1  1 
       996 403 100 LYS N    N 120.71  0.1  1 
       997 404 101 LYS H    H   8.17  0.02 1 
       998 404 101 LYS HA   H   4.36  0.02 1 
       999 404 101 LYS HB2  H   1.78  0.02 1 
      1000 404 101 LYS HB3  H   1.91  0.02 1 
      1001 404 101 LYS HG2  H   1.47  0.02 1 
      1002 404 101 LYS HG3  H   1.47  0.02 1 
      1003 404 101 LYS HD2  H   1.65  0.02 1 
      1004 404 101 LYS HD3  H   1.65  0.02 1 
      1005 404 101 LYS HE2  H   2.97  0.02 1 
      1006 404 101 LYS HE3  H   2.97  0.02 1 
      1007 404 101 LYS C    C 176.75  0.1  1 
      1008 404 101 LYS CA   C  56.36  0.1  1 
      1009 404 101 LYS CB   C  33.16  0.1  1 
      1010 404 101 LYS N    N 122.25  0.1  1 
      1011 405 102 SER H    H   7.91  0.02 1 
      1012 405 102 SER HA   H   4.23  0.02 1 
      1013 405 102 SER HB2  H   3.83  0.02 1 
      1014 405 102 SER HB3  H   3.83  0.02 1 
      1015 405 102 SER C    C 175.82  0.1  1 
      1016 405 102 SER CA   C  60.08  0.1  1 
      1017 405 102 SER N    N 122.52  0.1  1 

   stop_

save_


save_chem_shift_list_1_2
   _Saveframe_category               assigned_chemical_shifts

   _Details                          .

   loop_
      _Software_label

      $software_1 

   stop_

   loop_
      _Experiment_label

      '1H15N NOESY-HSQC' 
      '2D NOESY (1H-1H)' 

   stop_

   loop_
      _Sample_label

      $sample_1 
      $sample_2 

   stop_

   _Sample_conditions_label         $conditions_1
   _Chem_shift_reference_set_label  $chemical_shift_referencing
   _Mol_system_component_name       'Integrin/PIPKIg peptide'
   _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

        1 716  1 LYS H    H 8.28 0.02 1 
        2 716  1 LYS HA   H 4.22 0.02 1 
        3 716  1 LYS HB2  H 1.78 0.02 1 
        4 716  1 LYS HB3  H 1.78 0.02 1 
        5 716  1 LYS HG2  H 1.41 0.02 1 
        6 716  1 LYS HG3  H 1.46 0.02 1 
        7 716  1 LYS HD2  H 1.73 0.02 1 
        8 716  1 LYS HD3  H 1.73 0.02 1 
        9 717  2 LEU H    H 8.28 0.02 1 
       10 717  2 LEU HA   H 4.36 0.02 1 
       11 717  2 LEU HB2  H 1.60 0.02 1 
       12 717  2 LEU HB3  H 1.60 0.02 1 
       13 717  2 LEU HG   H 1.63 0.02 1 
       14 717  2 LEU HD1  H 0.93 0.02 1 
       15 717  2 LEU HD2  H 0.88 0.02 1 
       16 718  3 LEU H    H 8.18 0.02 1 
       17 718  3 LEU HA   H 4.36 0.02 1 
       18 718  3 LEU HB2  H 1.64 0.02 1 
       19 718  3 LEU HB3  H 1.64 0.02 1 
       20 718  3 LEU HG   H 1.58 0.02 1 
       21 718  3 LEU HD1  H 0.93 0.02 1 
       22 718  3 LEU HD2  H 0.87 0.02 1 
       23 719  4 ILE H    H 8.11 0.02 1 
       24 719  4 ILE HA   H 4.37 0.02 1 
       25 719  4 ILE HB   H 1.89 0.02 1 
       26 719  4 ILE HG12 H 1.15 0.02 1 
       27 719  4 ILE HG13 H 1.51 0.02 1 
       28 719  4 ILE HG2  H 0.93 0.02 1 
       29 719  4 ILE HD1  H 0.82 0.02 1 
       30 720  5 THR H    H 8.74 0.02 1 
       31 720  5 THR HA   H 4.47 0.02 1 
       32 720  5 THR HG2  H 1.25 0.02 1 
       33 721  6 ILE H    H 8.45 0.02 1 
       34 721  6 ILE HA   H 3.99 0.02 1 
       35 721  6 ILE HB   H 1.88 0.02 1 
       36 721  6 ILE HG12 H 1.48 0.02 1 
       37 721  6 ILE HG13 H 1.22 0.02 1 
       38 721  6 ILE HG2  H 0.89 0.02 1 
       39 722  7 HIS H    H 8.22 0.02 1 
       40 722  7 HIS HA   H 4.46 0.02 1 
       41 722  7 HIS HB2  H 3.09 0.02 1 
       42 722  7 HIS HB3  H 3.20 0.02 1 
       43 722  7 HIS HD1  H 7.21 0.02 1 
       44 723  8 ASP H    H 8.26 0.02 1 
       45 723  8 ASP HA   H 4.52 0.02 1 
       46 723  8 ASP HB2  H 2.75 0.02 1 
       47 723  8 ASP HB3  H 2.97 0.02 1 
       48 724  9 ARG H    H 8.36 0.02 1 
       49 724  9 ARG HA   H 4.31 0.02 1 
       50 724  9 ARG HB2  H 1.95 0.02 1 
       51 724  9 ARG HB3  H 1.98 0.02 1 
       52 724  9 ARG HG2  H 1.72 0.02 1 
       53 724  9 ARG HG3  H 1.82 0.02 1 
       54 724  9 ARG HD2  H 3.21 0.02 1 
       55 724  9 ARG HD3  H 3.24 0.02 1 
       56 725 10 LYS H    H 8.39 0.02 1 
       57 725 10 LYS HA   H 4.20 0.02 1 
       58 725 10 LYS HB2  H 1.89 0.02 1 
       59 725 10 LYS HB3  H 1.89 0.02 1 
       60 725 10 LYS HG2  H 1.43 0.02 1 
       61 725 10 LYS HG3  H 1.43 0.02 1 
       62 725 10 LYS HD2  H 1.59 0.02 1 
       63 725 10 LYS HD3  H 1.70 0.02 1 
       64 726 11 GLU H    H 8.29 0.02 1 
       65 726 11 GLU HA   H 4.06 0.02 1 
       66 726 11 GLU HB2  H 2.11 0.02 1 
       67 726 11 GLU HB3  H 2.00 0.02 1 
       68 726 11 GLU HG2  H 2.24 0.02 1 
       69 726 11 GLU HG3  H 2.24 0.02 1 
       70 727 12 PHE H    H 8.37 0.02 1 
       71 727 12 PHE HA   H 4.25 0.02 1 
       72 727 12 PHE HB2  H 3.10 0.02 1 
       73 727 12 PHE HB3  H 3.20 0.02 1 
       74 727 12 PHE HD1  H 7.14 0.02 1 
       75 727 12 PHE HD2  H 7.14 0.02 1 
       76 727 12 PHE HE1  H 7.28 0.02 1 
       77 727 12 PHE HE2  H 7.28 0.02 1 
       78 728 13 ALA H    H 8.21 0.02 1 
       79 728 13 ALA HA   H 4.17 0.02 1 
       80 728 13 ALA HB   H 1.51 0.02 1 
       81 729 14 LYS H    H 8.02 0.02 1 
       82 729 14 LYS HA   H 4.13 0.02 1 
       83 729 14 LYS HB2  H 1.86 0.02 1 
       84 729 14 LYS HB3  H 1.86 0.02 1 
       85 729 14 LYS HG2  H 1.68 0.02 1 
       86 729 14 LYS HG3  H 1.68 0.02 1 
       87 729 14 LYS HD2  H 1.99 0.02 1 
       88 729 14 LYS HD3  H 2.04 0.02 1 
       89 730 15 PHE H    H 7.91 0.02 1 
       90 730 15 PHE HA   H 4.42 0.02 1 
       91 730 15 PHE HB2  H 3.15 0.02 1 
       92 730 15 PHE HB3  H 3.18 0.02 1 
       93 730 15 PHE HD1  H 7.11 0.02 1 
       94 730 15 PHE HD2  H 7.11 0.02 1 
       95 730 15 PHE HE1  H 6.99 0.02 1 
       96 730 15 PHE HE2  H 6.99 0.02 1 
       97 731 16 GLU H    H 8.15 0.02 1 
       98 731 16 GLU HA   H 3.70 0.02 1 
       99 731 16 GLU HB2  H 1.93 0.02 1 
      100 731 16 GLU HB3  H 1.86 0.02 1 
      101 731 16 GLU HG2  H 2.06 0.02 1 
      102 731 16 GLU HG3  H 2.06 0.02 1 
      103 732 17 GLU H    H 7.80 0.02 1 
      104 732 17 GLU HA   H 3.97 0.02 1 
      105 732 17 GLU HB2  H 2.04 0.02 1 
      106 732 17 GLU HB3  H 2.04 0.02 1 
      107 732 17 GLU HG2  H 2.19 0.02 1 
      108 732 17 GLU HG3  H 2.33 0.02 1 
      109 733 18 GLU H    H 7.95 0.02 1 
      110 733 18 GLU HA   H 3.92 0.02 1 
      111 733 18 GLU HB2  H 2.00 0.02 1 
      112 733 18 GLU HB3  H 2.00 0.02 1 
      113 733 18 GLU HG2  H 2.14 0.02 1 
      114 733 18 GLU HG3  H 2.20 0.02 1 
      115 734 19 ARG H    H 7.93 0.02 1 
      116 734 19 ARG HA   H 3.82 0.02 1 
      117 734 19 ARG HB2  H 1.37 0.02 1 
      118 734 19 ARG HB3  H 1.44 0.02 1 
      119 734 19 ARG HG2  H 1.24 0.02 1 
      120 734 19 ARG HG3  H 1.33 0.02 1 
      121 734 19 ARG HD2  H 2.52 0.02 1 
      122 734 19 ARG HD3  H 2.82 0.02 1 
      123 734 19 ARG HE   H 7.27 0.02 1 
      124 735 20 ALA H    H 7.36 0.02 1 
      125 735 20 ALA HA   H 4.10 0.02 1 
      126 735 20 ALA HB   H 1.39 0.02 1 
      127 736 21 ARG H    H 7.54 0.02 1 
      128 736 21 ARG HA   H 4.26 0.02 1 
      129 736 21 ARG HB2  H 1.77 0.02 1 
      130 736 21 ARG HB3  H 1.87 0.02 1 
      131 736 21 ARG HG2  H 1.65 0.02 1 
      132 736 21 ARG HG3  H 1.61 0.02 1 
      133 736 21 ARG HD2  H 3.16 0.02 1 
      134 736 21 ARG HD3  H 3.16 0.02 1 
      135 737 22 ALA H    H 7.22 0.02 1 
      136 737 22 ALA HA   H 3.91 0.02 1 
      137 737 22 ALA HB   H 0.67 0.02 1 
      138 738 23 LYS H    H 8.01 0.02 1 
      139 738 23 LYS HA   H 4.30 0.02 1 
      140 738 23 LYS HB2  H 1.67 0.02 1 
      141 738 23 LYS HB3  H 1.67 0.02 1 
      142 738 23 LYS HG2  H 1.34 0.02 1 
      143 738 23 LYS HG3  H 1.44 0.02 1 
      144 738 23 LYS HD2  H 1.76 0.02 1 
      145 738 23 LYS HD3  H 1.76 0.02 1 
      146 739 24 TRP H    H 7.98 0.02 1 
      147 739 24 TRP HA   H 4.43 0.02 1 
      148 739 24 TRP HB2  H 2.26 0.02 1 
      149 739 24 TRP HB3  H 2.87 0.02 1 
      150 739 24 TRP HD1  H 7.24 0.02 1 
      151 739 24 TRP HE1  H 9.91 0.02 1 
      152 739 24 TRP HE3  H 6.70 0.02 1 
      153 739 24 TRP HZ2  H 6.87 0.02 1 
      154 739 24 TRP HZ3  H 6.05 0.02 1 
      155 739 24 TRP HH2  H 5.78 0.02 1 
      156 740 25 VAL H    H 9.36 0.02 1 
      157 740 25 VAL HA   H 3.82 0.02 1 
      158 740 25 VAL HB   H 0.54 0.02 1 
      159 740 25 VAL HG1  H 0.54 0.02 1 
      160 740 25 VAL HG2  H 0.78 0.02 1 
      161 741 26 PTR HA   H 3.96 0.02 1 
      162 741 26 PTR HB2  H 2.66 0.02 1 
      163 741 26 PTR HB3  H 2.59 0.02 1 
      164 741 26 PTR H    H 8.44 0.02 1 
      165 741 26 PTR HD1  H 6.61 0.02 3 
      166 741 26 PTR HD2  H 6.61 0.02 3 
      167 741 26 PTR HE1  H 6.78 0.02 3 
      168 741 26 PTR HE2  H 6.78 0.02 3 
      169 742 27 SER H    H 8.24 0.02 1 
      170 742 27 SER HB2  H 4.14 0.02 1 
      171 742 27 SER HB3  H 4.14 0.02 1 
      172 743 28 PRO HA   H 4.64 0.02 1 
      173 743 28 PRO HB2  H 2.35 0.02 1 
      174 743 28 PRO HB3  H 2.47 0.02 1 
      175 743 28 PRO HG2  H 2.02 0.02 1 
      176 743 28 PRO HG3  H 2.02 0.02 1 
      177 743 28 PRO HD2  H 4.26 0.02 1 
      178 743 28 PRO HD3  H 4.18 0.02 1 
      179 744 29 LEU H    H 7.74 0.02 1 
      180 744 29 LEU HA   H 4.14 0.02 1 
      181 744 29 LEU HB2  H 1.53 0.02 1 
      182 744 29 LEU HB3  H 1.43 0.02 1 
      183 744 29 LEU HD1  H 0.97 0.02 1 
      184 744 29 LEU HD2  H 0.86 0.02 1 
      185 745 30 HIS H    H 7.48 0.02 1 
      186 745 30 HIS HA   H 4.68 0.02 1 
      187 745 30 HIS HB2  H 3.02 0.02 1 
      188 745 30 HIS HB3  H 3.12 0.02 1 
      189 745 30 HIS HD2  H 7.03 0.02 1 
      190 746 31 TYR H    H 7.84 0.02 1 
      191 746 31 TYR HA   H 4.61 0.02 1 
      192 746 31 TYR HB2  H 2.82 0.02 1 
      193 746 31 TYR HB3  H 2.99 0.02 1 
      194 746 31 TYR HD1  H 7.22 0.02 1 
      195 746 31 TYR HD2  H 7.22 0.02 1 
      196 746 31 TYR HE1  H 6.84 0.02 1 
      197 746 31 TYR HE2  H 6.84 0.02 1 
      198 747 32 SER H    H 8.20 0.02 1 
      199 747 32 SER HA   H 4.38 0.02 1 
      200 747 32 SER HB2  H 3.81 0.02 1 
      201 747 32 SER HB3  H 3.81 0.02 1 
      202 748 33 ALA H    H 8.36 0.02 1 
      203 748 33 ALA HA   H 4.28 0.02 1 
      204 748 33 ALA HB   H 1.40 0.02 1 
      205 749 34 ARG H    H 8.09 0.02 1 
      206 749 34 ARG HA   H 4.24 0.02 1 
      207 749 34 ARG HB2  H 1.68 0.02 1 
      208 749 34 ARG HB3  H 1.68 0.02 1 
      209 749 34 ARG HG2  H 1.53 0.02 1 
      210 749 34 ARG HG3  H 1.53 0.02 1 
      211 749 34 ARG HD2  H 3.02 0.02 1 
      212 749 34 ARG HD3  H 3.02 0.02 1 
      213 749 34 ARG HE   H 7.16 0.02 1 

   stop_

save_