data_16809

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

save_entry_information
   _Saveframe_category      entry_information

   _Entry_title            
;
Ensemble Structures of the binary complex between the SH3 and SH2 domain of interleukin-2 tyrosine kinase.
;
   _BMRB_accession_number   16809
   _BMRB_flat_file_name     bmr16809.str
   _Entry_type              original
   _Submission_date         2010-03-31
   _Accession_date          2010-03-31
   _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 Andreotti Amy    H. . 
      2 Severin   Andrew J. . 
      3 Fulton    Donald B. . 

   stop_

   loop_
      _Saveframe_category_type
      _Saveframe_category_type_count

      assigned_chemical_shifts 4 

   stop_

   loop_
      _Data_type
      _Data_type_count

      "1H chemical shifts"  1758 
      "13C chemical shifts" 1330 
      "15N chemical shifts"  358 

   stop_

   loop_
      _Revision_date
      _Revision_keyword
      _Revision_author
      _Revision_detail

      2012-08-03 original author . 

   stop_

   _Original_release_date   2012-08-03

save_


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

save_entry_citation
   _Saveframe_category           entry_citation

   _Citation_full                .
   _Citation_title              'Solution Structure of the binary complex between the SH3 and SH2 domain of interleukin-2 tyrosine kinase'
   _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 Severin   Andrew J. . 
      2 Fulton    Donald B. . 
      3 Andreotti Amy    H. . 

   stop_

   _Journal_abbreviation        'Not known'
   _Journal_volume               .
   _Journal_issue                .
   _Journal_CSD                  .
   _Book_chapter_title           .
   _Book_volume                  .
   _Book_series                  .
   _Book_ISBN                    .
   _Conference_state_province    .
   _Conference_abstract_number   .
   _Page_first                   .
   _Page_last                    .
   _Year                         .
   _Details                      .

   loop_
      _Keyword

      'binary complex' 
       cis/trans       
       isomerization   
       novel           
       proline         
       SH2             
       SH3             

   stop_

save_


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

save_assembly
   _Saveframe_category         molecular_system

   _Mol_system_name           'Itk SH3 and Itk SH2 domains'
   _Enzyme_commission_number   .

   loop_
      _Mol_system_component_name
      _Mol_label

      Itk_SH3_domain $Itk_SH3_domain 
      Itk_SH2_domain $Itk_SH2_domain 

   stop_

   _System_molecular_weight    19890.314
   _System_physical_state      native
   _System_oligomer_state      ?
   _System_paramagnetic        no
   _System_thiol_state         .
   _Database_query_date        .
   _Details                   'Novel interaction between the Itk SH3 and Itk SH2 domains.'

save_


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

save_Itk_SH3_domain
   _Saveframe_category                          monomeric_polymer

   _Mol_type                                    polymer
   _Mol_polymer_class                           protein
   _Name_common                                 Itk_SH3_domain
   _Molecular_mass                              7356.008
   _Mol_thiol_state                            'all free'

   loop_
      _Biological_function

      'binding domain' 

   stop_

   _Details                                     .

   	##############################
   	#  Polymer residue sequence  #
   	##############################
   
      _Residue_count                               63
   _Mol_residue_sequence                       
;
GSPEETLVIALYDYQTNDPQ
ELALRCDEEYYLLDSSEIHW
WRVQDKNGHEGYAPSSYLVE
KSP
;

   loop_
      _Residue_seq_code
      _Residue_author_seq_code
      _Residue_label

       1 169 GLY   2 170 SER   3 171 PRO   4 172 GLU   5 173 GLU 
       6 174 THR   7 175 LEU   8 176 VAL   9 177 ILE  10 178 ALA 
      11 179 LEU  12 180 TYR  13 181 ASP  14 182 TYR  15 183 GLN 
      16 184 THR  17 185 ASN  18 186 ASP  19 187 PRO  20 188 GLN 
      21 189 GLU  22 190 LEU  23 191 ALA  24 192 LEU  25 193 ARG 
      26 194 CYS  27 195 ASP  28 196 GLU  29 197 GLU  30 198 TYR 
      31 199 TYR  32 200 LEU  33 201 LEU  34 202 ASP  35 203 SER 
      36 204 SER  37 205 GLU  38 206 ILE  39 207 HIS  40 208 TRP 
      41 209 TRP  42 210 ARG  43 211 VAL  44 212 GLN  45 213 ASP 
      46 214 LYS  47 215 ASN  48 216 GLY  49 217 HIS  50 218 GLU 
      51 219 GLY  52 220 TYR  53 221 ALA  54 222 PRO  55 223 SER 
      56 224 SER  57 225 TYR  58 226 LEU  59 227 VAL  60 228 GLU 
      61 229 LYS  62 230 SER  63 231 PRO 

   stop_

   _Sequence_homology_query_date                .
   _Sequence_homology_query_revised_last_date   2015-01-30

   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        11018 "SH3 domain"                                                                                                                      100.00  64 100.00 100.00 1.12e-37 
      BMRB        15912  Itk_SH3_domain                                                                                                                   100.00  63 100.00 100.00 1.17e-37 
      PDB  1AWJ          "Intramolecular Itk-Proline Complex, Nmr, Minimized Average Structure"                                                             95.24  77 100.00 100.00 3.23e-35 
      PDB  2K79          "Solution Structure Of The Binary Complex Between The Sh3 And Sh2 Domain Of Interleukin-2 Tyrosine Kinase"                        100.00  63 100.00 100.00 1.17e-37 
      PDB  2K7A          "Ensemble Structures Of The Binary Complex Between The Sh3 And Sh2 Domain Of Interleukin-2 Tyrosine Kinase"                       100.00  63 100.00 100.00 1.17e-37 
      PDB  2RN8          "Nmr Structure Note: Murine Itk Sh3 Domain"                                                                                       100.00  64 100.00 100.00 1.12e-37 
      PDB  2RNA          "Itk Sh3 Average Minimized"                                                                                                       100.00  64 100.00 100.00 1.12e-37 
      DBJ  BAA03129      "tyrosine kinase [Mus musculus]"                                                                                                   96.83 619 100.00 100.00 1.81e-33 
      DBJ  BAE32118      "unnamed protein product [Mus musculus]"                                                                                           96.83 622 100.00 100.00 1.77e-33 
      GB   AAA39337      "T-cell-specific tyrosine kinase [Mus musculus]"                                                                                   96.83 625 100.00 100.00 2.10e-33 
      GB   AAA40518      "tyrosine kinase [Mus musculus]"                                                                                                   96.83 619 100.00 100.00 1.81e-33 
      GB   AAI28375      "IL2-inducible T-cell kinase [Mus musculus]"                                                                                       96.83 619 100.00 100.00 1.81e-33 
      GB   AAI28376      "IL2-inducible T-cell kinase [Mus musculus]"                                                                                       96.83 618 100.00 100.00 1.83e-33 
      GB   EDL33821      "IL2-inducible T-cell kinase, isoform CRA_a [Mus musculus]"                                                                        96.83 625 100.00 100.00 2.10e-33 
      REF  NP_001102295  "tyrosine-protein kinase ITK/TSK [Rattus norvegicus]"                                                                              96.83 626  98.36  98.36 1.06e-31 
      REF  NP_001268894  "tyrosine-protein kinase ITK/TSK isoform 1 [Mus musculus]"                                                                         96.83 625 100.00 100.00 2.10e-33 
      REF  NP_001268895  "tyrosine-protein kinase ITK/TSK isoform 3 [Mus musculus]"                                                                         96.83 622 100.00 100.00 1.88e-33 
      REF  NP_001268896  "tyrosine-protein kinase ITK/TSK isoform 4 [Mus musculus]"                                                                         96.83 264 100.00 100.00 7.58e-35 
      REF  NP_001268897  "tyrosine-protein kinase ITK/TSK isoform 5 [Mus musculus]"                                                                         96.83 618 100.00 100.00 1.83e-33 
      SP   Q03526        "RecName: Full=Tyrosine-protein kinase ITK/TSK; AltName: Full=IL-2-inducible T-cell kinase; AltName: Full=Kinase EMT; AltName: F"  96.83 625 100.00 100.00 2.10e-33 

   stop_

save_


save_Itk_SH2_domain
   _Saveframe_category                          monomeric_polymer

   _Mol_type                                    polymer
   _Mol_polymer_class                           protein
   _Name_common                                 Itk_SH2_domain
   _Molecular_mass                              12534.314
   _Mol_thiol_state                            'all free'

   loop_
      _Biological_function

      'binding domain' 

   stop_

   _Details                                     .
   _Residue_count                               108
   _Mol_residue_sequence                       
;
NNLETYEWYNKSISRDKAEK
LLLDTGKEGAFMVRDSRTPG
TYTVSVFTKAIISENPCIKH
YHIKETNDSPKRYYVAEKYV
FDSIPLLIQYHQYNGGGLVT
RLRYPVCG
;

   loop_
      _Residue_seq_code
      _Residue_author_seq_code
      _Residue_label

        1 232 ASN    2 233 ASN    3 234 LEU    4 235 GLU    5 236 THR 
        6 237 TYR    7 238 GLU    8 239 TRP    9 240 TYR   10 241 ASN 
       11 242 LYS   12 243 SER   13 244 ILE   14 245 SER   15 246 ARG 
       16 247 ASP   17 248 LYS   18 249 ALA   19 250 GLU   20 251 LYS 
       21 252 LEU   22 253 LEU   23 254 LEU   24 255 ASP   25 256 THR 
       26 257 GLY   27 258 LYS   28 259 GLU   29 260 GLY   30 261 ALA 
       31 262 PHE   32 263 MET   33 264 VAL   34 265 ARG   35 266 ASP 
       36 267 SER   37 268 ARG   38 269 THR   39 270 PRO   40 271 GLY 
       41 272 THR   42 273 TYR   43 274 THR   44 275 VAL   45 276 SER 
       46 277 VAL   47 278 PHE   48 279 THR   49 280 LYS   50 281 ALA 
       51 282 ILE   52 283 ILE   53 284 SER   54 285 GLU   55 286 ASN 
       56 287 PRO   57 288 CYS   58 289 ILE   59 290 LYS   60 291 HIS 
       61 292 TYR   62 293 HIS   63 294 ILE   64 295 LYS   65 296 GLU 
       66 297 THR   67 298 ASN   68 299 ASP   69 300 SER   70 301 PRO 
       71 302 LYS   72 303 ARG   73 304 TYR   74 305 TYR   75 306 VAL 
       76 307 ALA   77 308 GLU   78 309 LYS   79 310 TYR   80 311 VAL 
       81 312 PHE   82 313 ASP   83 314 SER   84 315 ILE   85 316 PRO 
       86 317 LEU   87 318 LEU   88 319 ILE   89 320 GLN   90 321 TYR 
       91 322 HIS   92 323 GLN   93 324 TYR   94 325 ASN   95 326 GLY 
       96 327 GLY   97 328 GLY   98 329 LEU   99 330 VAL  100 331 THR 
      101 332 ARG  102 333 LEU  103 334 ARG  104 335 TYR  105 336 PRO 
      106 337 VAL  107 338 CYS  108 339 GLY 

   stop_

   _Sequence_homology_query_date                .
   _Sequence_homology_query_revised_last_date   2015-01-30

   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        15912  Itk_SH2_domain                                                                                                                   100.00 110 100.00 100.00 6.51e-74 
      BMRB         5461  Itk_SH2                                                                                                                          100.00 118 100.00 100.00 1.31e-73 
      PDB  1LUI          "Nmr Structures Of Itk Sh2 Domain, Pro287cis Isoform, Ensemble Of 20 Low Energy Structures"                                       100.00 110 100.00 100.00 7.34e-74 
      PDB  1LUK          "Nmr Structure Of The Itk Sh2 Domain, Pro287cis, Energy Minimized Average Structure"                                              100.00 110 100.00 100.00 7.34e-74 
      PDB  1LUM          "Nmr Structure Of The Itk Sh2 Domain, Pro287trans, 20 Low Energy Structures"                                                      100.00 110 100.00 100.00 7.34e-74 
      PDB  1LUN          "Nmr Structure Of The Itk Sh2 Domain, Pro287trans, Energy Minimized Average Structure"                                            100.00 110 100.00 100.00 7.34e-74 
      PDB  2ETZ          "The Nmr Minimized Average Structure Of The Itk Sh2 Domain Bound To A Phosphopeptide"                                             100.00 109 100.00 100.00 7.11e-74 
      PDB  2EU0          "The Nmr Ensemble Structure Of The Itk Sh2 Domain Bound To A Phosphopeptide"                                                      100.00 109 100.00 100.00 7.11e-74 
      PDB  2K79          "Solution Structure Of The Binary Complex Between The Sh3 And Sh2 Domain Of Interleukin-2 Tyrosine Kinase"                        100.00 110 100.00 100.00 6.51e-74 
      PDB  2K7A          "Ensemble Structures Of The Binary Complex Between The Sh3 And Sh2 Domain Of Interleukin-2 Tyrosine Kinase"                       100.00 110 100.00 100.00 6.51e-74 
      PDB  3S9K          "Crystal Structure Of The Itk Sh2 Domain"                                                                                         100.00 118 100.00 100.00 1.31e-73 
      DBJ  BAA03129      "tyrosine kinase [Mus musculus]"                                                                                                  100.00 619  99.07  99.07 9.62e-68 
      DBJ  BAC29830      "unnamed protein product [Mus musculus]"                                                                                           61.11 347 100.00 100.00 3.39e-38 
      DBJ  BAE32118      "unnamed protein product [Mus musculus]"                                                                                          100.00 622  99.07  99.07 8.83e-68 
      GB   AAA39337      "T-cell-specific tyrosine kinase [Mus musculus]"                                                                                  100.00 625  99.07  99.07 8.37e-68 
      GB   AAA40518      "tyrosine kinase [Mus musculus]"                                                                                                  100.00 619  99.07  99.07 9.62e-68 
      GB   AAI28375      "IL2-inducible T-cell kinase [Mus musculus]"                                                                                      100.00 619  99.07  99.07 9.62e-68 
      GB   AAI28376      "IL2-inducible T-cell kinase [Mus musculus]"                                                                                      100.00 618  99.07  99.07 9.06e-68 
      GB   EDL33821      "IL2-inducible T-cell kinase, isoform CRA_a [Mus musculus]"                                                                       100.00 625  99.07  99.07 8.37e-68 
      REF  NP_001102295  "tyrosine-protein kinase ITK/TSK [Rattus norvegicus]"                                                                             100.93 626  97.25  98.17 2.76e-65 
      REF  NP_001268894  "tyrosine-protein kinase ITK/TSK isoform 1 [Mus musculus]"                                                                        100.00 625  99.07  99.07 8.37e-68 
      REF  NP_001268895  "tyrosine-protein kinase ITK/TSK isoform 3 [Mus musculus]"                                                                        100.00 622  99.07  99.07 9.12e-68 
      REF  NP_001268897  "tyrosine-protein kinase ITK/TSK isoform 5 [Mus musculus]"                                                                        100.00 618  99.07  99.07 9.06e-68 
      REF  NP_034713     "tyrosine-protein kinase ITK/TSK isoform 2 [Mus musculus]"                                                                        100.00 619  99.07  99.07 9.62e-68 
      SP   Q03526        "RecName: Full=Tyrosine-protein kinase ITK/TSK; AltName: Full=IL-2-inducible T-cell kinase; AltName: Full=Kinase EMT; AltName: F" 100.00 625  99.07  99.07 8.37e-68 

   stop_

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

      $Itk_SH3_domain 'house mouse' 10090 Eukaryota Metazoa Mus musculus Itk 
      $Itk_SH2_domain 'house mouse' 10090 Eukaryota Metazoa Mus musculus Itk 

   stop_

save_


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

save_experimental_source
   _Saveframe_category   experimental_source


   loop_
      _Mol_label
      _Production_method
      _Host_organism_name_common
      _Genus
      _Species
      _Strain
      _Vector_name

      $Itk_SH3_domain 'recombinant technology' . Escherichia coli . pgex2T 
      $Itk_SH2_domain 'recombinant technology' . Escherichia coli . pgex2T 

   stop_

save_


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

save_SH3_35%_bound
   _Saveframe_category   sample

   _Sample_type          solution
   _Details              .

   loop_
      _Mol_label
      _Concentration_value
      _Concentration_value_units
      _Isotopic_labeling

      $Itk_SH3_domain  3.4 mM '[U-100% 13C; U-100% 15N]' 
      $Itk_SH2_domain  1.5 mM 'natural abundance'        
       H2O            95   %  'natural abundance'        
       D2O             5   %  'natural abundance'        
       NaCl           75   mM 'natural abundance'        

   stop_

save_


save_SH2_35%_bound
   _Saveframe_category   sample

   _Sample_type          solution
   _Details              .

   loop_
      _Mol_label
      _Concentration_value
      _Concentration_value_units
      _Isotopic_labeling

      $Itk_SH3_domain  3.4 mM '[U-100% 13C; U-100% 15N]' 
      $Itk_SH2_domain  1.5 mM 'natural abundance'        
       H2O            95   %  'natural abundance'        
       D2O             5   %  'natural abundance'        
       NaCl           75   mM 'natural abundance'        

   stop_

save_


save_SH2_77%_bound
   _Saveframe_category   sample

   _Sample_type          solution
   _Details              .

   loop_
      _Mol_label
      _Concentration_value
      _Concentration_value_units
      _Isotopic_labeling

      $Itk_SH3_domain  1.5 mM '[U-100% 13C; U-100% 15N]' 
      $Itk_SH2_domain  3.4 mM 'natural abundance'        
       H2O            95   %  'natural abundance'        
       D2O             5   %  'natural abundance'        
       NaCl           75   mM 'natural abundance'        

   stop_

save_


save_SH3_77%_bound
   _Saveframe_category   sample

   _Sample_type          solution
   _Details              .

   loop_
      _Mol_label
      _Concentration_value
      _Concentration_value_units
      _Isotopic_labeling

      $Itk_SH3_domain  1.5 mM '[U-100% 13C; U-100% 15N]' 
      $Itk_SH2_domain  3.4 mM 'natural abundance'        
       H2O            95   %  'natural abundance'        
       D2O             5   %  'natural abundance'        
       NaCl           75   mM 'natural abundance'        

   stop_

save_


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

save_xplor-nih
   _Saveframe_category   software

   _Name                'X-PLOR NIH'
   _Version              2.19

   loop_
      _Vendor
      _Address
      _Electronic_address

      'Brunger A. T. et.al.' . . 

   stop_

   loop_
      _Task

      refinement 

   stop_

   _Details              .

save_


save_CARA
   _Saveframe_category   software

   _Name                 CARA
   _Version              1.8.4

   loop_
      _Vendor
      _Address
      _Electronic_address

      'Keller and Wuthrich' . . 

   stop_

   loop_
      _Task

      'chemical shift assignment' 

   stop_

   _Details              .

save_


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

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

save_spectrometer_1
   _Saveframe_category   NMR_spectrometer

   _Manufacturer         Bruker
   _Model                Avii
   _Field_strength       700
   _Details              700.133

save_


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

save_2D_1H-15N_HSQC_1
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '2D 1H-15N HSQC'
   _Sample_label        $SH3_35%_bound

save_


save_2D_1H-13C_HSQC_2
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '2D 1H-13C HSQC'
   _Sample_label        $SH3_35%_bound

save_


save_3D_CBCA(CO)NH_3
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D CBCA(CO)NH'
   _Sample_label        $SH3_35%_bound

save_


save_3D_HNCO_4
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D HNCO'
   _Sample_label        $SH3_35%_bound

save_


save_3D_HNCACB_5
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D HNCACB'
   _Sample_label        $SH3_35%_bound

save_


save_3D_HBHA(CO)NH_6
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D HBHA(CO)NH'
   _Sample_label        $SH3_35%_bound

save_


save_3D_HCCH-TOCSY_7
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D HCCH-TOCSY'
   _Sample_label        $SH3_35%_bound

save_


save_3D_1H-15N_NOESY_8
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D 1H-15N NOESY'
   _Sample_label        $SH3_35%_bound

save_


save_3D_1H-15N_TOCSY_9
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D 1H-15N TOCSY'
   _Sample_label        $SH3_35%_bound

save_


save_3D_1H-13C_NOESY_10
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D 1H-13C NOESY'
   _Sample_label        $SH3_35%_bound

save_


save_2D_1H-15N_IPAP_11
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '2D 1H-15N IPAP'
   _Sample_label        $SH3_35%_bound

save_


save_3D_HNCA_COSY_12
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D HNCA COSY'
   _Sample_label        $SH3_35%_bound

save_


save_2D_1H-15N_IPAP_13
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '2D 1H-15N IPAP'
   _Sample_label        $SH3_35%_bound

save_


save_3D_HNCA_COSY_14
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D HNCA COSY'
   _Sample_label        $SH3_35%_bound

save_


save_(HB)CB(CGCDCE)HE_15
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name      (HB)CB(CGCDCE)HE
   _Sample_label        $SH3_35%_bound

save_


save_(HB)CB(CGCD)HD_16
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name      (HB)CB(CGCD)HD
   _Sample_label        $SH3_35%_bound

save_


save_2D_1H-15N_HSQC_17
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '2D 1H-15N HSQC'
   _Sample_label        $SH2_35%_bound

save_


save_2D_1H-13C_HSQC_18
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '2D 1H-13C HSQC'
   _Sample_label        $SH2_35%_bound

save_


save_3D_CBCA(CO)NH_19
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D CBCA(CO)NH'
   _Sample_label        $SH2_35%_bound

save_


save_3D_HNCO_20
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D HNCO'
   _Sample_label        $SH2_35%_bound

save_


save_3D_HNCACB_21
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D HNCACB'
   _Sample_label        $SH2_35%_bound

save_


save_3D_HNCACB_22
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D HNCACB'
   _Sample_label        $SH2_35%_bound

save_


save_3D_HBHA(CO)NH_23
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D HBHA(CO)NH'
   _Sample_label        $SH2_35%_bound

save_


save_3D_HCCH-TOCSY_24
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D HCCH-TOCSY'
   _Sample_label        $SH2_35%_bound

save_


save_3D_1H-15N_NOESY_25
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D 1H-15N NOESY'
   _Sample_label        $SH2_35%_bound

save_


save_3D_1H-15N_TOCSY_26
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D 1H-15N TOCSY'
   _Sample_label        $SH2_35%_bound

save_


save_3D_1H-13C_NOESY_27
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D 1H-13C NOESY'
   _Sample_label        $SH2_35%_bound

save_


save_2D_1H-15N_IPAP_28
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '2D 1H-15N IPAP'
   _Sample_label        $SH2_35%_bound

save_


save_2D_1H-15N_IPAP_29
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '2D 1H-15N IPAP'
   _Sample_label        $SH2_35%_bound

save_


save_(HB)CB(CGCDCE)HE_30
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name      (HB)CB(CGCDCE)HE
   _Sample_label        $SH2_35%_bound

save_


save_(HB)CB(CGCD)HD_31
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name      (HB)CB(CGCD)HD
   _Sample_label        $SH2_35%_bound

save_


save_2D_1H-15N_HSQC_32
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '2D 1H-15N HSQC'
   _Sample_label        $SH2_35%_bound

save_


save_2D_1H-15N_HSQC_33
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '2D 1H-15N HSQC'
   _Sample_label        $SH2_77%_bound

save_


save_2D_1H-15N_HSQC_34
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '2D 1H-15N HSQC'
   _Sample_label        $SH3_77%_bound

save_


save_2D_1H-13C_HSQC_35
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '2D 1H-13C HSQC'
   _Sample_label        $SH2_77%_bound

save_


save_2D_1H-13C_HSQC_36
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '2D 1H-13C HSQC'
   _Sample_label        $SH3_77%_bound

save_


save_3D_CBCA(CO)NH_37
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D CBCA(CO)NH'
   _Sample_label        $SH2_77%_bound

save_


save_3D_CBCA(CO)NH_38
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D CBCA(CO)NH'
   _Sample_label        $SH3_77%_bound

save_


save_3D_HNCO_39
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D HNCO'
   _Sample_label        $SH2_77%_bound

save_


save_3D_HNCO_40
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D HNCO'
   _Sample_label        $SH3_77%_bound

save_


save_3D_HNHA_41
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D HNHA'
   _Sample_label        $SH2_77%_bound

save_


save_3D_HNHA_42
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D HNHA'
   _Sample_label        $SH3_77%_bound

save_


save_3D_HNCACB_43
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D HNCACB'
   _Sample_label        $SH2_77%_bound

save_


save_3D_HNCACB_44
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D HNCACB'
   _Sample_label        $SH3_77%_bound

save_


save_3D_1H-15N_NOESY_45
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D 1H-15N NOESY'
   _Sample_label        $SH2_77%_bound

save_


save_3D_1H-15N_NOESY_46
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D 1H-15N NOESY'
   _Sample_label        $SH3_77%_bound

save_


save_3D_1H-15N_TOCSY_47
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D 1H-15N TOCSY'
   _Sample_label        $SH2_77%_bound

save_


save_3D_1H-15N_TOCSY_48
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D 1H-15N TOCSY'
   _Sample_label        $SH3_77%_bound

save_


save_3D_1H-13C_NOESY_49
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D 1H-13C NOESY'
   _Sample_label        $SH2_77%_bound

save_


save_3D_1H-13C_NOESY_50
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D 1H-13C NOESY'
   _Sample_label        $SH3_77%_bound

save_


save_(HB)CB(CGCD)HD_51
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name      (HB)CB(CGCD)HD
   _Sample_label        $SH2_77%_bound

save_


save_(HB)CB(CGCD)HD_52
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name      (HB)CB(CGCD)HD
   _Sample_label        $SH3_77%_bound

save_


save_(HB)CB(CGCDCE)HE_53
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name      (HB)CB(CGCDCE)HE
   _Sample_label        $SH2_77%_bound

save_


save_(HB)CB(CGCDCE)HE_54
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name      (HB)CB(CGCDCE)HE
   _Sample_label        $SH3_77%_bound

save_


save_2D_1H-15N_IPAP_55
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '2D 1H-15N IPAP'
   _Sample_label        $SH2_77%_bound

save_


save_2D_1H-15N_IPAP_56
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '2D 1H-15N IPAP'
   _Sample_label        $SH3_77%_bound

save_


save_3D_HNCA_COSY_57
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D HNCA COSY'
   _Sample_label        $SH3_77%_bound

save_


save_3D_HNCA_COSY_58
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D HNCA COSY'
   _Sample_label        $SH3_77%_bound

save_


save_2D_1H-15N_IPAP_59
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '2D 1H-15N IPAP'
   _Sample_label        $SH2_77%_bound

save_


save_2D_1H-15N_IPAP_60
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '2D 1H-15N IPAP'
   _Sample_label        $SH3_77%_bound

save_


save_3D_HBHA(CO)NH_61
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D HBHA(CO)NH'
   _Sample_label        $SH2_77%_bound

save_


save_3D_HBHA(CO)NH_62
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D HBHA(CO)NH'
   _Sample_label        $SH3_77%_bound

save_


save_3D_HCCH-TOCSY_63
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D HCCH-TOCSY'
   _Sample_label        $SH2_77%_bound

save_


save_3D_HCCH-TOCSY_64
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D HCCH-TOCSY'
   _Sample_label        $SH3_77%_bound

save_


save_2D_1H-15N_HSQC_65
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '2D 1H-15N HSQC'
   _Sample_label        $SH2_77%_bound

save_


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

save_isotropic_conditions_1
   _Saveframe_category   sample_conditions

   _Details              .

   loop_
      _Variable_type
      _Variable_value
      _Variable_value_error
      _Variable_value_units

      'ionic strength'  75   . mM  
       pH                7.4 . pH  
       pressure          1   . atm 
       temperature     298   . K   

   stop_

save_


save_anisotropic_conditions_2
   _Saveframe_category   sample_conditions

   _Details             '8mg/ml PF1 phage added'

   loop_
      _Variable_type
      _Variable_value
      _Variable_value_error
      _Variable_value_units

      'ionic strength'  75   . mM  
       pH                7.4 . pH  
       pressure          1   . atm 
       temperature     298   . K   

   stop_

save_


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

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

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

save_chemical_shift_reference_1
   _Saveframe_category   chemical_shift_reference

   _Details             '2,2-dimethyl-2-silapentane-5-sulfonate sodium salt (DSS)'

   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 . . . 0.251449530 
      DSS H  1 'methyl protons' ppm 0.00 internal direct   . . . 1.000000000 
      DSS N 15 'methyl protons' ppm 0.00 na       indirect . . . 0.101329118 

   stop_

save_


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

###################################################################
#       Chemical Shift Ambiguity Index Value Definitions          #
#                                                                 #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains.                              #
#                                                                 #
#   Index Value            Definition                             #
#                                                                 #
#      1             Unique (including isolated methyl protons,   #
#                         geminal atoms, and geminal methyl       #
#                         groups with identical chemical shifts)  #
#                         (e.g. ILE HD11, HD12, HD13 protons)     #
#      2             Ambiguity of geminal atoms or geminal methyl #
#                         proton groups (e.g. ASP HB2 and HB3     #
#                         protons, LEU CD1 and CD2 carbons, or    #
#                         LEU HD11, HD12, HD13 and HD21, HD22,    #
#                         HD23 methyl protons)                    #
#      3             Aromatic atoms on opposite sides of          #
#                         symmetrical rings (e.g. TYR HE1 and HE2 #
#                         protons)                                #
#      4             Intraresidue ambiguities (e.g. LYS HG and    #
#                         HD protons or TRP HZ2 and HZ3 protons)  #
#      5             Interresidue ambiguities (LYS 12 vs. LYS 27) #
#      6             Intermolecular ambiguities (e.g. ASP 31 CA   #
#                         in monomer 1 and ASP 31 CA in monomer 2 #
#                         of an asymmetrical homodimer, duplex    #
#                         DNA assignments, or other assignments   #
#                         that may apply to atoms in one or more  #
#                         molecule in the molecular assembly)     #
#      9             Ambiguous, specific ambiguity not defined    #
#                                                                 #
###################################################################
save_assigned_chem_shift_list_SH2_35%_bound_2
   _Saveframe_category               assigned_chemical_shifts

   _Details                         
;
SH2 domain at 35% bound          
3.4mM 14N 12C          
1.5mM 15N 13C
;

   loop_
      _Software_label

      $CARA 

   stop_

   loop_
      _Experiment_label

      '2D 1H-15N HSQC'  
      '2D 1H-13C HSQC'  
      '3D HNCO'         
      '3D HNCACB'       
      '3D HBHA(CO)NH'   
      '3D HCCH-TOCSY'   
      '3D 1H-15N TOCSY' 
       (HB)CB(CGCDCE)HE 
       (HB)CB(CGCD)HD   

   stop_

   loop_
      _Sample_label

      $SH3_35%_bound 
      $SH2_35%_bound 

   stop_

   _Sample_conditions_label         $isotropic_conditions_1
   _Chem_shift_reference_set_label  $chemical_shift_reference_1
   _Mol_system_component_name        Itk_SH2_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

         1 232   1 ASN HA   H   4.60 0.02 1 
         2 232   1 ASN HB2  H   2.68 0.02 2 
         3 232   1 ASN HB3  H   2.65 0.02 2 
         4 232   1 ASN HD21 H   7.61 0.02 1 
         5 232   1 ASN HD22 H   6.60 0.02 1 
         6 232   1 ASN CA   C  50.53 0.3  1 
         7 232   1 ASN CB   C  36.32 0.3  1 
         8 232   1 ASN ND2  N 112.39 0.3  1 
         9 233   2 ASN HA   H   4.57 0.02 1 
        10 233   2 ASN HB2  H   2.80 0.02 2 
        11 233   2 ASN HB3  H   2.74 0.02 2 
        12 233   2 ASN HD21 H   6.85 0.02 1 
        13 233   2 ASN HD22 H   7.52 0.02 1 
        14 233   2 ASN C    C 171.12 0.3  1 
        15 233   2 ASN CA   C  50.83 0.3  1 
        16 233   2 ASN CB   C  35.61 0.3  1 
        17 233   2 ASN ND2  N 111.79 0.3  1 
        18 234   3 LEU H    H   8.32 0.02 1 
        19 234   3 LEU HA   H   3.89 0.02 1 
        20 234   3 LEU HB2  H   0.64 0.02 2 
        21 234   3 LEU HB3  H   0.59 0.02 2 
        22 234   3 LEU HD1  H  -0.19 0.02 1 
        23 234   3 LEU HD2  H   0.24 0.02 1 
        24 234   3 LEU HG   H   1.08 0.02 1 
        25 234   3 LEU C    C 171.80 0.3  1 
        26 234   3 LEU CA   C  53.91 0.3  1 
        27 234   3 LEU CB   C  37.74 0.3  1 
        28 234   3 LEU CD1  C  22.14 0.3  1 
        29 234   3 LEU CD2  C  19.79 0.3  1 
        30 234   3 LEU CG   C  23.61 0.3  1 
        31 234   3 LEU N    N 122.09 0.3  1 
        32 235   4 GLU H    H   8.09 0.02 1 
        33 235   4 GLU HA   H   4.12 0.02 1 
        34 235   4 GLU HB2  H   2.04 0.02 2 
        35 235   4 GLU HB3  H   1.93 0.02 2 
        36 235   4 GLU C    C 171.90 0.3  1 
        37 235   4 GLU CA   C  56.41 0.3  1 
        38 235   4 GLU CB   C  26.56 0.3  1 
        39 235   4 GLU CG   C  34.95 0.3  1 
        40 235   4 GLU N    N 113.76 0.3  1 
        41 236   5 THR H    H   7.36 0.02 1 
        42 236   5 THR HA   H   3.88 0.02 1 
        43 236   5 THR HB   H   3.83 0.02 1 
        44 236   5 THR HG2  H   0.81 0.02 1 
        45 236   5 THR C    C 168.71 0.3  1 
        46 236   5 THR CA   C  59.94 0.3  1 
        47 236   5 THR CB   C  66.57 0.3  1 
        48 236   5 THR CG2  C  18.78 0.3  1 
        49 236   5 THR N    N 108.79 0.3  1 
        50 237   6 TYR H    H   7.40 0.02 1 
        51 237   6 TYR HA   H   3.96 0.02 1 
        52 237   6 TYR HB2  H   1.31 0.02 2 
        53 237   6 TYR HB3  H   0.47 0.02 2 
        54 237   6 TYR HD1  H   6.73 0.02 3 
        55 237   6 TYR HD2  H   6.75 0.02 3 
        56 237   6 TYR HE1  H   6.63 0.02 3 
        57 237   6 TYR HE2  H   6.57 0.02 3 
        58 237   6 TYR C    C 172.23 0.3  1 
        59 237   6 TYR CA   C  55.58 0.3  1 
        60 237   6 TYR CB   C  35.13 0.3  1 
        61 237   6 TYR CD1  C 127.29 0.3  1 
        62 237   6 TYR N    N 120.71 0.3  1 
        63 238   7 GLU H    H   9.04 0.02 1 
        64 238   7 GLU HA   H   3.87 0.02 1 
        65 238   7 GLU HB2  H   1.91 0.02 2 
        66 238   7 GLU HB3  H   1.81 0.02 2 
        67 238   7 GLU C    C 169.58 0.3  1 
        68 238   7 GLU CA   C  55.76 0.3  1 
        69 238   7 GLU CB   C  26.89 0.3  1 
        70 238   7 GLU CG   C  33.35 0.3  1 
        71 238   7 GLU N    N 122.62 0.3  1 
        72 239   8 TRP H    H   6.04 0.02 1 
        73 239   8 TRP HA   H   4.20 0.02 1 
        74 239   8 TRP HB2  H   3.34 0.02 2 
        75 239   8 TRP HB3  H   2.51 0.02 2 
        76 239   8 TRP HD1  H   6.36 0.02 1 
        77 239   8 TRP HE1  H  10.81 0.02 1 
        78 239   8 TRP HE3  H   7.13 0.02 1 
        79 239   8 TRP HH2  H   6.94 0.02 1 
        80 239   8 TRP HZ2  H   6.40 0.02 1 
        81 239   8 TRP HZ3  H   5.98 0.02 1 
        82 239   8 TRP C    C 171.26 0.3  1 
        83 239   8 TRP CA   C  50.57 0.3  1 
        84 239   8 TRP CB   C  27.27 0.3  1 
        85 239   8 TRP CD1  C 114.31 0.3  1 
        86 239   8 TRP CE3  C 126.42 0.3  1 
        87 239   8 TRP CH2  C 125.89 0.3  1 
        88 239   8 TRP CZ2  C 109.72 0.3  1 
        89 239   8 TRP CZ3  C 117.69 0.3  1 
        90 239   8 TRP N    N 107.81 0.3  1 
        91 239   8 TRP NE1  N 133.38 0.3  1 
        92 240   9 TYR H    H   7.32 0.02 1 
        93 240   9 TYR HA   H   5.41 0.02 1 
        94 240   9 TYR HB2  H   2.62 0.02 2 
        95 240   9 TYR HB3  H   2.78 0.02 2 
        96 240   9 TYR HD1  H   6.72 0.02 3 
        97 240   9 TYR HD2  H   6.75 0.02 3 
        98 240   9 TYR HE1  H   6.72 0.02 3 
        99 240   9 TYR HE2  H   6.70 0.02 3 
       100 240   9 TYR C    C 169.22 0.3  1 
       101 240   9 TYR CA   C  54.01 0.3  1 
       102 240   9 TYR CB   C  35.21 0.3  1 
       103 240   9 TYR CD1  C 127.48 0.3  1 
       104 240   9 TYR N    N 122.43 0.3  1 
       105 241  10 ASN H    H   8.59 0.02 1 
       106 241  10 ASN HA   H   4.60 0.02 1 
       107 241  10 ASN HB2  H   2.48 0.02 2 
       108 241  10 ASN HB3  H   2.34 0.02 2 
       109 241  10 ASN HD21 H   6.57 0.02 1 
       110 241  10 ASN HD22 H   7.89 0.02 1 
       111 241  10 ASN C    C 167.32 0.3  1 
       112 241  10 ASN CA   C  48.88 0.3  1 
       113 241  10 ASN CB   C  38.97 0.3  1 
       114 241  10 ASN N    N 128.14 0.3  1 
       115 241  10 ASN ND2  N 113.81 0.3  1 
       116 242  11 LYS H    H   7.41 0.02 1 
       117 242  11 LYS HA   H   3.71 0.02 1 
       118 242  11 LYS HG2  H   1.37 0.02 2 
       119 242  11 LYS HG3  H   1.33 0.02 2 
       120 242  11 LYS C    C 171.30 0.3  1 
       121 242  11 LYS CA   C  54.66 0.3  1 
       122 242  11 LYS CB   C  30.28 0.3  1 
       123 242  11 LYS CD   C  27.09 0.3  1 
       124 242  11 LYS CE   C  39.61 0.3  1 
       125 242  11 LYS CG   C  21.84 0.3  1 
       126 242  11 LYS N    N 121.87 0.3  1 
       127 243  12 SER H    H   8.29 0.02 1 
       128 243  12 SER HA   H   4.17 0.02 1 
       129 243  12 SER HB2  H   3.85 0.02 2 
       130 243  12 SER HB3  H   3.81 0.02 2 
       131 243  12 SER C    C 168.86 0.3  1 
       132 243  12 SER CA   C  56.59 0.3  1 
       133 243  12 SER CB   C  59.83 0.3  1 
       134 243  12 SER N    N 115.14 0.3  1 
       135 244  13 ILE H    H   7.45 0.02 1 
       136 244  13 ILE HA   H   4.29 0.02 1 
       137 244  13 ILE HB   H   1.62 0.02 1 
       138 244  13 ILE HD1  H   0.70 0.02 1 
       139 244  13 ILE HG12 H   1.32 0.02 2 
       140 244  13 ILE HG13 H   1.15 0.02 2 
       141 244  13 ILE HG2  H   0.76 0.02 1 
       142 244  13 ILE C    C 169.30 0.3  1 
       143 244  13 ILE CA   C  57.87 0.3  1 
       144 244  13 ILE CB   C  37.17 0.3  1 
       145 244  13 ILE CD1  C  11.38 0.3  1 
       146 244  13 ILE CG1  C  25.27 0.3  1 
       147 244  13 ILE CG2  C  14.82 0.3  1 
       148 244  13 ILE N    N 119.98 0.3  1 
       149 245  14 SER H    H   8.06 0.02 1 
       150 245  14 SER HA   H   4.40 0.02 1 
       151 245  14 SER HB2  H   4.22 0.02 2 
       152 245  14 SER HB3  H   3.89 0.02 2 
       153 245  14 SER C    C 169.05 0.3  1 
       154 245  14 SER CA   C  54.55 0.3  1 
       155 245  14 SER CB   C  62.90 0.3  1 
       156 245  14 SER N    N 121.64 0.3  1 
       157 246  15 ARG H    H   8.92 0.02 1 
       158 246  15 ARG HA   H   3.43 0.02 1 
       159 246  15 ARG HB2  H   1.55 0.02 2 
       160 246  15 ARG HB3  H   1.78 0.02 2 
       161 246  15 ARG HG2  H   1.16 0.02 2 
       162 246  15 ARG HG3  H   0.65 0.02 2 
       163 246  15 ARG C    C 172.15 0.3  1 
       164 246  15 ARG CA   C  58.05 0.3  1 
       165 246  15 ARG CB   C  27.83 0.3  1 
       166 246  15 ARG CD   C  40.61 0.3  1 
       167 246  15 ARG CG   C  24.80 0.3  1 
       168 246  15 ARG N    N 122.06 0.3  1 
       169 247  16 ASP H    H   8.34 0.02 1 
       170 247  16 ASP HA   H   4.17 0.02 1 
       171 247  16 ASP HB2  H   2.44 0.02 2 
       172 247  16 ASP HB3  H   2.47 0.02 2 
       173 247  16 ASP C    C 173.54 0.3  1 
       174 247  16 ASP CA   C  54.61 0.3  1 
       175 247  16 ASP CB   C  37.92 0.3  1 
       176 247  16 ASP N    N 115.49 0.3  1 
       177 248  17 LYS H    H   7.55 0.02 1 
       178 248  17 LYS HA   H   3.92 0.02 1 
       179 248  17 LYS HD2  H   1.62 0.02 2 
       180 248  17 LYS HD3  H   1.58 0.02 2 
       181 248  17 LYS C    C 173.18 0.3  1 
       182 248  17 LYS CA   C  55.92 0.3  1 
       183 248  17 LYS CB   C  29.45 0.3  1 
       184 248  17 LYS CD   C  26.21 0.3  1 
       185 248  17 LYS CE   C  39.53 0.3  1 
       186 248  17 LYS CG   C  22.87 0.3  1 
       187 248  17 LYS N    N 121.07 0.3  1 
       188 249  18 ALA H    H   8.53 0.02 1 
       189 249  18 ALA HA   H   3.73 0.02 1 
       190 249  18 ALA HB   H   1.42 0.02 1 
       191 249  18 ALA C    C 174.13 0.3  1 
       192 249  18 ALA CA   C  52.97 0.3  1 
       193 249  18 ALA CB   C  16.81 0.3  1 
       194 249  18 ALA N    N 121.97 0.3  1 
       195 250  19 GLU H    H   8.25 0.02 1 
       196 250  19 GLU HA   H   3.70 0.02 1 
       197 250  19 GLU HB2  H   2.19 0.02 2 
       198 250  19 GLU HB3  H   1.93 0.02 2 
       199 250  19 GLU HG2  H   2.93 0.02 2 
       200 250  19 GLU HG3  H   1.95 0.02 2 
       201 250  19 GLU C    C 172.36 0.3  1 
       202 250  19 GLU CA   C  58.32 0.3  1 
       203 250  19 GLU CB   C  26.21 0.3  1 
       204 250  19 GLU CG   C  34.87 0.3  1 
       205 250  19 GLU N    N 114.16 0.3  1 
       206 251  20 LYS H    H   7.45 0.02 1 
       207 251  20 LYS HA   H   3.82 0.02 1 
       208 251  20 LYS HB2  H   1.81 0.02 2 
       209 251  20 LYS HB3  H   1.76 0.02 2 
       210 251  20 LYS HD2  H   1.57 0.02 2 
       211 251  20 LYS HD3  H   1.48 0.02 2 
       212 251  20 LYS HE2  H   2.87 0.02 2 
       213 251  20 LYS HE3  H   2.84 0.02 2 
       214 251  20 LYS HG2  H   1.39 0.02 2 
       215 251  20 LYS HG3  H   1.32 0.02 2 
       216 251  20 LYS C    C 172.84 0.3  1 
       217 251  20 LYS CA   C  56.95 0.3  1 
       218 251  20 LYS CB   C  29.46 0.3  1 
       219 251  20 LYS CD   C  26.06 0.3  1 
       220 251  20 LYS CE   C  39.69 0.3  1 
       221 251  20 LYS CG   C  22.45 0.3  1 
       222 251  20 LYS N    N 118.15 0.3  1 
       223 252  21 LEU H    H   8.03 0.02 1 
       224 252  21 LEU HA   H   3.93 0.02 1 
       225 252  21 LEU HB2  H   1.65 0.02 2 
       226 252  21 LEU HB3  H   1.12 0.02 2 
       227 252  21 LEU HD1  H   0.66 0.02 1 
       228 252  21 LEU HD2  H   0.64 0.02 1 
       229 252  21 LEU HG   H   1.60 0.02 1 
       230 252  21 LEU C    C 175.42 0.3  1 
       231 252  21 LEU CA   C  55.13 0.3  1 
       232 252  21 LEU CB   C  39.77 0.3  1 
       233 252  21 LEU CD1  C  20.87 0.3  1 
       234 252  21 LEU CD2  C  22.99 0.3  1 
       235 252  21 LEU CG   C  24.44 0.3  1 
       236 252  21 LEU N    N 117.68 0.3  1 
       237 253  22 LEU H    H   8.05 0.02 1 
       238 253  22 LEU HA   H   3.86 0.02 1 
       239 253  22 LEU HB2  H   1.99 0.02 2 
       240 253  22 LEU HB3  H   1.19 0.02 2 
       241 253  22 LEU HD1  H   0.58 0.02 1 
       242 253  22 LEU HD2  H   0.63 0.02 1 
       243 253  22 LEU HG   H   1.79 0.02 1 
       244 253  22 LEU C    C 174.13 0.3  1 
       245 253  22 LEU CA   C  55.48 0.3  1 
       246 253  22 LEU CB   C  40.01 0.3  1 
       247 253  22 LEU CD1  C  20.33 0.3  1 
       248 253  22 LEU CD2  C  24.25 0.3  1 
       249 253  22 LEU CG   C  24.25 0.3  1 
       250 253  22 LEU N    N 118.62 0.3  1 
       251 254  23 LEU H    H   8.87 0.02 1 
       252 254  23 LEU HA   H   3.87 0.02 1 
       253 254  23 LEU HB2  H   1.82 0.02 2 
       254 254  23 LEU HB3  H   1.39 0.02 2 
       255 254  23 LEU HD1  H   0.63 0.02 1 
       256 254  23 LEU HD2  H   0.74 0.02 1 
       257 254  23 LEU HG   H   1.65 0.02 1 
       258 254  23 LEU C    C 174.60 0.3  1 
       259 254  23 LEU CA   C  55.68 0.3  1 
       260 254  23 LEU CB   C  39.04 0.3  1 
       261 254  23 LEU CD1  C  20.22 0.3  1 
       262 254  23 LEU CD2  C  20.84 0.3  1 
       263 254  23 LEU CG   C  24.25 0.3  1 
       264 254  23 LEU N    N 122.23 0.3  1 
       265 255  24 ASP H    H   8.10 0.02 1 
       266 255  24 ASP HA   H   4.17 0.02 1 
       267 255  24 ASP HB2  H   2.63 0.02 2 
       268 255  24 ASP HB3  H   2.44 0.02 2 
       269 255  24 ASP C    C 173.01 0.3  1 
       270 255  24 ASP CA   C  53.91 0.3  1 
       271 255  24 ASP CB   C  37.71 0.3  1 
       272 255  24 ASP N    N 117.45 0.3  1 
       273 256  25 THR H    H   7.24 0.02 1 
       274 256  25 THR HA   H   3.77 0.02 1 
       275 256  25 THR HB   H   3.88 0.02 1 
       276 256  25 THR HG2  H   1.06 0.02 1 
       277 256  25 THR C    C 171.45 0.3  1 
       278 256  25 THR CA   C  63.07 0.3  1 
       279 256  25 THR CB   C  65.96 0.3  1 
       280 256  25 THR CG2  C  18.48 0.3  1 
       281 256  25 THR N    N 112.81 0.3  1 
       282 257  26 GLY H    H   7.01 0.02 1 
       283 257  26 GLY HA2  H   3.39 0.02 2 
       284 257  26 GLY HA3  H   2.86 0.02 2 
       285 257  26 GLY C    C 167.68 0.3  1 
       286 257  26 GLY CA   C  44.44 0.3  1 
       287 257  26 GLY N    N 105.33 0.3  1 
       288 258  27 LYS H    H   6.08 0.02 1 
       289 258  27 LYS HA   H   4.23 0.02 1 
       290 258  27 LYS HB2  H   0.89 0.02 2 
       291 258  27 LYS HB3  H   1.32 0.02 2 
       292 258  27 LYS HE2  H   2.34 0.02 2 
       293 258  27 LYS HE3  H   2.31 0.02 2 
       294 258  27 LYS C    C 168.71 0.3  1 
       295 258  27 LYS CA   C  51.55 0.3  1 
       296 258  27 LYS CB   C  32.52 0.3  1 
       297 258  27 LYS CD   C  26.09 0.3  1 
       298 258  27 LYS CE   C  39.04 0.3  1 
       299 258  27 LYS CG   C  21.37 0.3  1 
       300 258  27 LYS N    N 117.14 0.3  1 
       301 259  28 GLU H    H   8.67 0.02 1 
       302 259  28 GLU HA   H   3.87 0.02 1 
       303 259  28 GLU C    C 171.79 0.3  1 
       304 259  28 GLU CA   C  55.30 0.3  1 
       305 259  28 GLU CB   C  27.42 0.3  1 
       306 259  28 GLU CG   C  32.76 0.3  1 
       307 259  28 GLU N    N 124.80 0.3  1 
       308 260  29 GLY H    H   8.91 0.02 1 
       309 260  29 GLY HA2  H   4.33 0.02 2 
       310 260  29 GLY HA3  H   3.75 0.02 2 
       311 260  29 GLY C    C 170.80 0.3  1 
       312 260  29 GLY CA   C  44.37 0.3  1 
       313 260  29 GLY N    N 114.21 0.3  1 
       314 261  30 ALA H    H   8.51 0.02 1 
       315 261  30 ALA HA   H   5.60 0.02 1 
       316 261  30 ALA HB   H   1.40 0.02 1 
       317 261  30 ALA C    C 171.61 0.3  1 
       318 261  30 ALA CA   C  49.60 0.3  1 
       319 261  30 ALA CB   C  16.04 0.3  1 
       320 261  30 ALA N    N 126.00 0.3  1 
       321 262  31 PHE H    H   8.88 0.02 1 
       322 262  31 PHE HA   H   5.97 0.02 1 
       323 262  31 PHE HB2  H   2.77 0.02 2 
       324 262  31 PHE HB3  H   2.88 0.02 2 
       325 262  31 PHE HD1  H   7.34 0.02 3 
       326 262  31 PHE HD2  H   6.52 0.02 3 
       327 262  31 PHE HE1  H   6.58 0.02 3 
       328 262  31 PHE HE2  H   6.53 0.02 3 
       329 262  31 PHE C    C 166.46 0.3  1 
       330 262  31 PHE CA   C  53.36 0.3  1 
       331 262  31 PHE CB   C  42.05 0.3  1 
       332 262  31 PHE N    N 120.08 0.3  1 
       333 263  32 MET H    H   8.67 0.02 1 
       334 263  32 MET HA   H   4.73 0.02 1 
       335 263  32 MET HB2  H   2.50 0.02 2 
       336 263  32 MET HB3  H   2.05 0.02 2 
       337 263  32 MET HE   H   1.80 0.02 1 
       338 263  32 MET HG2  H   2.35 0.02 2 
       339 263  32 MET HG3  H   2.03 0.02 2 
       340 263  32 MET C    C 168.70 0.3  1 
       341 263  32 MET CA   C  52.10 0.3  1 
       342 263  32 MET CB   C  34.52 0.3  1 
       343 263  32 MET CE   C  13.90 0.3  1 
       344 263  32 MET CG   C  26.95 0.3  1 
       345 263  32 MET N    N 111.21 0.3  1 
       346 264  33 VAL H    H   9.28 0.02 1 
       347 264  33 VAL HA   H   5.22 0.02 1 
       348 264  33 VAL HB   H   2.22 0.02 1 
       349 264  33 VAL HG1  H   1.00 0.02 1 
       350 264  33 VAL HG2  H   0.78 0.02 1 
       351 264  33 VAL C    C 168.03 0.3  1 
       352 264  33 VAL CA   C  58.92 0.3  1 
       353 264  33 VAL CB   C  31.07 0.3  1 
       354 264  33 VAL CG1  C  19.65 0.3  1 
       355 264  33 VAL CG2  C  21.92 0.3  1 
       356 264  33 VAL N    N 120.29 0.3  1 
       357 265  34 ARG H    H   9.47 0.02 1 
       358 265  34 ARG HA   H   5.29 0.02 1 
       359 265  34 ARG HB2  H   2.10 0.02 2 
       360 265  34 ARG HB3  H   1.39 0.02 2 
       361 265  34 ARG HD2  H   3.10 0.02 2 
       362 265  34 ARG HD3  H   2.57 0.02 2 
       363 265  34 ARG HE   H   7.29 0.02 1 
       364 265  34 ARG C    C 169.07 0.3  1 
       365 265  34 ARG CA   C  50.41 0.3  1 
       366 265  34 ARG CB   C  31.08 0.3  1 
       367 265  34 ARG CD   C  41.33 0.3  1 
       368 265  34 ARG CG   C  23.76 0.3  1 
       369 265  34 ARG N    N 124.12 0.3  1 
       370 265  34 ARG NE   N 118.55 0.3  1 
       371 266  35 ASP H    H   8.92 0.02 1 
       372 266  35 ASP HA   H   4.80 0.02 1 
       373 266  35 ASP HB2  H   2.77 0.02 2 
       374 266  35 ASP HB3  H   2.58 0.02 2 
       375 266  35 ASP CA   C  52.93 0.3  1 
       376 266  35 ASP CB   C  38.07 0.3  1 
       377 266  35 ASP N    N 122.28 0.3  1 
       378 267  36 SER H    H   8.06 0.02 1 
       379 267  36 SER HA   H   4.57 0.02 1 
       380 267  36 SER C    C 169.74 0.3  1 
       381 267  36 SER CA   C  53.70 0.3  1 
       382 267  36 SER CB   C  60.58 0.3  1 
       383 267  36 SER N    N 118.01 0.3  1 
       384 268  37 ARG H    H   8.89 0.02 1 
       385 268  37 ARG HA   H   3.92 0.02 1 
       386 268  37 ARG C    C 172.84 0.3  1 
       387 268  37 ARG CA   C  56.09 0.3  1 
       388 268  37 ARG CB   C  27.50 0.3  1 
       389 268  37 ARG CD   C  40.70 0.3  1 
       390 268  37 ARG CG   C  24.42 0.3  1 
       391 268  37 ARG N    N 123.15 0.3  1 
       392 269  38 THR H    H   8.02 0.02 1 
       393 269  38 THR HA   H   4.35 0.02 1 
       394 269  38 THR HB   H   3.83 0.02 1 
       395 269  38 THR HG2  H   1.05 0.02 1 
       396 269  38 THR CA   C  57.74 0.3  1 
       397 269  38 THR CB   C  66.36 0.3  1 
       398 269  38 THR CG2  C  18.64 0.3  1 
       399 269  38 THR N    N 118.13 0.3  1 
       400 270  39 PRO HA   H   4.29 0.02 1 
       401 270  39 PRO HB2  H   2.13 0.02 2 
       402 270  39 PRO HB3  H   1.81 0.02 2 
       403 270  39 PRO HD2  H   3.58 0.02 2 
       404 270  39 PRO HD3  H   3.54 0.02 2 
       405 270  39 PRO HG2  H   1.95 0.02 2 
       406 270  39 PRO HG3  H   1.87 0.02 2 
       407 270  39 PRO C    C 172.32 0.3  1 
       408 270  39 PRO CA   C  60.92 0.3  1 
       409 270  39 PRO CB   C  29.49 0.3  1 
       410 270  39 PRO CD   C  48.00 0.3  1 
       411 270  39 PRO CG   C  24.61 0.3  1 
       412 271  40 GLY H    H   8.46 0.02 1 
       413 271  40 GLY HA2  H   4.04 0.02 2 
       414 271  40 GLY HA3  H   3.51 0.02 2 
       415 271  40 GLY C    C 168.36 0.3  1 
       416 271  40 GLY CA   C  42.65 0.3  1 
       417 271  40 GLY N    N 111.14 0.3  1 
       418 272  41 THR H    H   7.32 0.02 1 
       419 272  41 THR HA   H   4.62 0.02 1 
       420 272  41 THR HB   H   4.22 0.02 1 
       421 272  41 THR HG2  H   0.95 0.02 1 
       422 272  41 THR C    C 168.53 0.3  1 
       423 272  41 THR CA   C  57.68 0.3  1 
       424 272  41 THR CB   C  69.37 0.3  1 
       425 272  41 THR CG2  C  18.93 0.3  1 
       426 272  41 THR N    N 110.83 0.3  1 
       427 273  42 TYR H    H   9.56 0.02 1 
       428 273  42 TYR HA   H   5.26 0.02 1 
       429 273  42 TYR HB2  H   2.96 0.02 2 
       430 273  42 TYR HB3  H   2.50 0.02 2 
       431 273  42 TYR HD1  H   6.95 0.02 3 
       432 273  42 TYR HD2  H   6.93 0.02 3 
       433 273  42 TYR HE1  H   6.68 0.02 1 
       434 273  42 TYR C    C 169.10 0.3  1 
       435 273  42 TYR CA   C  55.74 0.3  1 
       436 273  42 TYR CB   C  40.56 0.3  1 
       437 273  42 TYR CD1  C 127.37 0.3  1 
       438 273  42 TYR CE1  C 112.64 0.3  1 
       439 273  42 TYR N    N 122.22 0.3  1 
       440 274  43 THR H    H   9.23 0.02 1 
       441 274  43 THR HA   H   4.95 0.02 1 
       442 274  43 THR HB   H   3.51 0.02 1 
       443 274  43 THR HG2  H   1.07 0.02 1 
       444 274  43 THR C    C 167.86 0.3  1 
       445 274  43 THR CA   C  59.19 0.3  1 
       446 274  43 THR CB   C  70.38 0.3  1 
       447 274  43 THR CG2  C  20.90 0.3  1 
       448 274  43 THR N    N 118.15 0.3  1 
       449 275  44 VAL H    H   9.36 0.02 1 
       450 275  44 VAL HA   H   4.88 0.02 1 
       451 275  44 VAL HB   H   2.09 0.02 1 
       452 275  44 VAL C    C 169.40 0.3  1 
       453 275  44 VAL CA   C  58.37 0.3  1 
       454 275  44 VAL CB   C  30.94 0.3  1 
       455 275  44 VAL CG1  C  19.51 0.3  1 
       456 275  44 VAL N    N 125.99 0.3  1 
       457 276  45 SER H    H   8.98 0.02 1 
       458 276  45 SER HA   H   5.50 0.02 1 
       459 276  45 SER HB2  H   3.51 0.02 2 
       460 276  45 SER HB3  H   3.27 0.02 2 
       461 276  45 SER C    C 167.32 0.3  1 
       462 276  45 SER CA   C  55.84 0.3  1 
       463 276  45 SER CB   C  63.08 0.3  1 
       464 276  45 SER N    N 125.91 0.3  1 
       465 277  46 VAL H    H   8.96 0.02 1 
       466 277  46 VAL HA   H   5.39 0.02 1 
       467 277  46 VAL HB   H   1.67 0.02 1 
       468 277  46 VAL HG1  H   0.80 0.02 1 
       469 277  46 VAL HG2  H   0.79 0.02 1 
       470 277  46 VAL C    C 166.30 0.3  1 
       471 277  46 VAL CA   C  56.47 0.3  1 
       472 277  46 VAL CB   C  33.74 0.3  1 
       473 277  46 VAL CG1  C  19.78 0.3  1 
       474 277  46 VAL CG2  C  16.95 0.3  1 
       475 277  46 VAL N    N 122.03 0.3  1 
       476 278  47 PHE H    H   8.91 0.02 1 
       477 278  47 PHE HA   H   4.93 0.02 1 
       478 278  47 PHE HB2  H   3.26 0.02 2 
       479 278  47 PHE HB3  H   2.57 0.02 2 
       480 278  47 PHE HD1  H   6.91 0.02 1 
       481 278  47 PHE HE1  H   7.02 0.02 1 
       482 278  47 PHE HZ   H   7.23 0.02 1 
       483 278  47 PHE C    C 168.79 0.3  1 
       484 278  47 PHE CA   C  54.58 0.3  1 
       485 278  47 PHE CB   C  39.44 0.3  1 
       486 278  47 PHE N    N 128.41 0.3  1 
       487 279  48 THR H    H   8.40 0.02 1 
       488 279  48 THR HA   H   4.74 0.02 1 
       489 279  48 THR HB   H   3.81 0.02 1 
       490 279  48 THR HG2  H   0.88 0.02 1 
       491 279  48 THR C    C 170.70 0.3  1 
       492 279  48 THR CA   C  57.17 0.3  1 
       493 279  48 THR CB   C  68.46 0.3  1 
       494 279  48 THR CG2  C  16.41 0.3  1 
       495 279  48 THR N    N 121.70 0.3  1 
       496 280  49 LYS H    H  10.38 0.02 1 
       497 280  49 LYS HA   H   4.46 0.02 1 
       498 280  49 LYS HB2  H   1.95 0.02 2 
       499 280  49 LYS HB3  H   1.48 0.02 2 
       500 280  49 LYS C    C 169.05 0.3  1 
       501 280  49 LYS CA   C  53.64 0.3  1 
       502 280  49 LYS CB   C  29.78 0.3  1 
       503 280  49 LYS CD   C  26.84 0.3  1 
       504 280  49 LYS CE   C  39.44 0.3  1 
       505 280  49 LYS CG   C  22.79 0.3  1 
       506 280  49 LYS N    N 130.55 0.3  1 
       507 281  50 ALA H    H   9.02 0.02 1 
       508 281  50 ALA HA   H   3.75 0.02 1 
       509 281  50 ALA HB   H   1.14 0.02 1 
       510 281  50 ALA C    C 169.05 0.3  1 
       511 281  50 ALA CA   C  50.67 0.3  1 
       512 281  50 ALA CB   C  17.14 0.3  1 
       513 281  50 ALA N    N 122.13 0.3  1 
       514 282  51 ILE H    H   8.94 0.02 1 
       515 282  51 ILE HA   H   3.99 0.02 1 
       516 282  51 ILE HB   H   1.64 0.02 1 
       517 282  51 ILE HD1  H   0.56 0.02 1 
       518 282  51 ILE HG12 H   1.14 0.02 2 
       519 282  51 ILE HG13 H   0.95 0.02 2 
       520 282  51 ILE HG2  H   0.67 0.02 1 
       521 282  51 ILE C    C 171.24 0.3  1 
       522 282  51 ILE CA   C  57.78 0.3  1 
       523 282  51 ILE CB   C  33.25 0.3  1 
       524 282  51 ILE CD1  C   9.80 0.3  1 
       525 282  51 ILE CG1  C  24.17 0.3  1 
       526 282  51 ILE CG2  C  15.27 0.3  1 
       527 282  51 ILE N    N 121.66 0.3  1 
       528 283  52 ILE H    H   8.04 0.02 1 
       529 283  52 ILE HA   H   3.96 0.02 1 
       530 283  52 ILE HB   H   1.71 0.02 1 
       531 283  52 ILE HD1  H   0.72 0.02 1 
       532 283  52 ILE HG12 H   1.33 0.02 2 
       533 283  52 ILE HG13 H   1.03 0.02 2 
       534 283  52 ILE HG2  H   0.78 0.02 1 
       535 283  52 ILE C    C 171.31 0.3  1 
       536 283  52 ILE CA   C  61.65 0.3  1 
       537 283  52 ILE CB   C  35.57 0.3  1 
       538 283  52 ILE CD1  C  10.19 0.3  1 
       539 283  52 ILE CG1  C  25.51 0.3  1 
       540 283  52 ILE CG2  C  15.04 0.3  1 
       541 283  52 ILE N    N 126.98 0.3  1 
       542 284  53 SER H    H   7.62 0.02 1 
       543 284  53 SER HA   H   4.17 0.02 1 
       544 284  53 SER HB2  H   3.90 0.02 2 
       545 284  53 SER HB3  H   3.64 0.02 2 
       546 284  53 SER C    C 168.72 0.3  1 
       547 284  53 SER CA   C  56.29 0.3  1 
       548 284  53 SER CB   C  60.77 0.3  1 
       549 284  53 SER N    N 111.94 0.3  1 
       550 285  54 GLU H    H   7.33 0.02 1 
       551 285  54 GLU HA   H   4.10 0.02 1 
       552 285  54 GLU HB2  H   1.54 0.02 2 
       553 285  54 GLU HB3  H   1.79 0.02 2 
       554 285  54 GLU C    C 166.79 0.3  1 
       555 285  54 GLU CA   C  53.05 0.3  1 
       556 285  54 GLU CB   C  26.95 0.3  1 
       557 285  54 GLU CG   C  33.44 0.3  1 
       558 285  54 GLU N    N 124.64 0.3  1 
       559 286  55 ASN H    H   7.98 0.02 1 
       560 286  55 ASN HA   H   4.86 0.02 1 
       561 286  55 ASN HB2  H   2.72 0.02 2 
       562 286  55 ASN HB3  H   2.60 0.02 2 
       563 286  55 ASN HD21 H   7.07 0.02 1 
       564 286  55 ASN HD22 H   6.37 0.02 1 
       565 286  55 ASN CA   C  46.36 0.3  1 
       566 286  55 ASN CB   C  37.40 0.3  1 
       567 286  55 ASN N    N 121.21 0.3  1 
       568 286  55 ASN ND2  N 107.83 0.3  1 
       569 287  56 PRO HA   H   4.80 0.02 1 
       570 287  56 PRO HB2  H   1.82 0.02 2 
       571 287  56 PRO HB3  H   1.27 0.02 2 
       572 287  56 PRO HD2  H   3.39 0.02 2 
       573 287  56 PRO HD3  H   3.33 0.02 2 
       574 287  56 PRO C    C 169.76 0.3  1 
       575 287  56 PRO CA   C  61.27 0.3  1 
       576 287  56 PRO CB   C  33.95 0.3  1 
       577 287  56 PRO CD   C  46.72 0.3  1 
       578 287  56 PRO CG   C  21.76 0.3  1 
       579 288  57 CYS H    H   8.18 0.02 1 
       580 288  57 CYS HA   H   4.45 0.02 1 
       581 288  57 CYS HB2  H   2.93 0.02 2 
       582 288  57 CYS HB3  H   2.61 0.02 2 
       583 288  57 CYS C    C 166.15 0.3  1 
       584 288  57 CYS CA   C  54.21 0.3  1 
       585 288  57 CYS CB   C  27.48 0.3  1 
       586 288  57 CYS N    N 113.09 0.3  1 
       587 289  58 ILE H    H   8.16 0.02 1 
       588 289  58 ILE HA   H   4.77 0.02 1 
       589 289  58 ILE HB   H   1.71 0.02 1 
       590 289  58 ILE HD1  H   0.81 0.02 1 
       591 289  58 ILE HG12 H   1.45 0.02 2 
       592 289  58 ILE HG13 H   1.23 0.02 2 
       593 289  58 ILE HG2  H   0.22 0.02 1 
       594 289  58 ILE C    C 170.62 0.3  1 
       595 289  58 ILE CA   C  55.02 0.3  1 
       596 289  58 ILE CB   C  34.09 0.3  1 
       597 289  58 ILE CD1  C  10.79 0.3  1 
       598 289  58 ILE CG1  C  25.51 0.3  1 
       599 289  58 ILE CG2  C  16.60 0.3  1 
       600 289  58 ILE N    N 121.39 0.3  1 
       601 290  59 LYS H    H   8.60 0.02 1 
       602 290  59 LYS HA   H   4.21 0.02 1 
       603 290  59 LYS HB2  H   1.32 0.02 2 
       604 290  59 LYS HB3  H   1.16 0.02 2 
       605 290  59 LYS C    C 168.72 0.3  1 
       606 290  59 LYS CA   C  49.82 0.3  1 
       607 290  59 LYS CB   C  32.11 0.3  1 
       608 290  59 LYS CD   C  25.65 0.3  1 
       609 290  59 LYS CE   C  39.43 0.3  1 
       610 290  59 LYS CG   C  22.08 0.3  1 
       611 290  59 LYS N    N 125.55 0.3  1 
       612 291  60 HIS H    H   8.13 0.02 1 
       613 291  60 HIS HA   H   5.18 0.02 1 
       614 291  60 HIS HB2  H   2.65 0.02 2 
       615 291  60 HIS HB3  H   2.39 0.02 2 
       616 291  60 HIS HD2  H   6.92 0.02 1 
       617 291  60 HIS HE1  H   7.12 0.02 1 
       618 291  60 HIS C    C 170.06 0.3  1 
       619 291  60 HIS CA   C  51.70 0.3  1 
       620 291  60 HIS CB   C  29.92 0.3  1 
       621 291  60 HIS CD2  C 115.25 0.3  1 
       622 291  60 HIS CE1  C 132.00 0.3  1 
       623 291  60 HIS N    N 120.78 0.3  1 
       624 292  61 TYR H    H   9.73 0.02 1 
       625 292  61 TYR HA   H   4.77 0.02 1 
       626 292  61 TYR HB2  H   2.82 0.02 2 
       627 292  61 TYR HB3  H   2.64 0.02 2 
       628 292  61 TYR HE1  H   6.52 0.02 3 
       629 292  61 TYR HE2  H   6.55 0.02 3 
       630 292  61 TYR C    C 169.92 0.3  1 
       631 292  61 TYR CA   C  53.76 0.3  1 
       632 292  61 TYR CB   C  37.60 0.3  1 
       633 292  61 TYR CD1  C 127.81 0.3  1 
       634 292  61 TYR N    N 123.20 0.3  1 
       635 293  62 HIS H    H   9.02 0.02 1 
       636 293  62 HIS HA   H   4.74 0.02 1 
       637 293  62 HIS HD2  H   7.18 0.02 1 
       638 293  62 HIS HE1  H   7.90 0.02 1 
       639 293  62 HIS C    C 170.07 0.3  1 
       640 293  62 HIS CA   C  54.55 0.3  1 
       641 293  62 HIS CB   C  27.89 0.3  1 
       642 293  62 HIS CD2  C 114.48 0.3  1 
       643 293  62 HIS CE1  C 132.11 0.3  1 
       644 293  62 HIS N    N 125.35 0.3  1 
       645 294  63 ILE H    H   8.73 0.02 1 
       646 294  63 ILE HA   H   3.96 0.02 1 
       647 294  63 ILE HB   H   2.10 0.02 1 
       648 294  63 ILE HD1  H   0.60 0.02 1 
       649 294  63 ILE HG12 H   1.62 0.02 2 
       650 294  63 ILE HG13 H   0.60 0.02 2 
       651 294  63 ILE HG2  H   0.83 0.02 1 
       652 294  63 ILE C    C 170.25 0.3  1 
       653 294  63 ILE CA   C  60.48 0.3  1 
       654 294  63 ILE CB   C  33.27 0.3  1 
       655 294  63 ILE CD1  C  11.41 0.3  1 
       656 294  63 ILE CG1  C  25.46 0.3  1 
       657 294  63 ILE CG2  C  16.00 0.3  1 
       658 294  63 ILE N    N 125.05 0.3  1 
       659 295  64 LYS H    H   8.65 0.02 1 
       660 295  64 LYS HA   H   4.11 0.02 1 
       661 295  64 LYS HB2  H   1.26 0.02 2 
       662 295  64 LYS HB3  H   1.15 0.02 2 
       663 295  64 LYS HE2  H   2.98 0.02 2 
       664 295  64 LYS HE3  H   2.95 0.02 2 
       665 295  64 LYS C    C 169.20 0.3  1 
       666 295  64 LYS CA   C  52.64 0.3  1 
       667 295  64 LYS CB   C  29.66 0.3  1 
       668 295  64 LYS CD   C  26.25 0.3  1 
       669 295  64 LYS CE   C  40.02 0.3  1 
       670 295  64 LYS CG   C  22.83 0.3  1 
       671 295  64 LYS N    N 131.84 0.3  1 
       672 296  65 GLU H    H   7.90 0.02 1 
       673 296  65 GLU HA   H   5.29 0.02 1 
       674 296  65 GLU HG2  H   2.18 0.02 2 
       675 296  65 GLU HG3  H   2.07 0.02 2 
       676 296  65 GLU C    C 173.53 0.3  1 
       677 296  65 GLU CA   C  50.33 0.3  1 
       678 296  65 GLU CB   C  30.37 0.3  1 
       679 296  65 GLU CG   C  33.60 0.3  1 
       680 296  65 GLU N    N 115.76 0.3  1 
       681 297  66 THR H    H   8.55 0.02 1 
       682 297  66 THR HA   H   4.51 0.02 1 
       683 297  66 THR HB   H   4.43 0.02 1 
       684 297  66 THR HG2  H   1.06 0.02 1 
       685 297  66 THR C    C 168.17 0.3  1 
       686 297  66 THR CA   C  57.68 0.3  1 
       687 297  66 THR CB   C  67.66 0.3  1 
       688 297  66 THR CG2  C  20.52 0.3  1 
       689 297  66 THR N    N 113.32 0.3  1 
       690 298  67 ASN H    H   8.34 0.02 1 
       691 298  67 ASN HA   H   4.82 0.02 1 
       692 298  67 ASN HB2  H   2.81 0.02 2 
       693 298  67 ASN HB3  H   2.63 0.02 2 
       694 298  67 ASN HD21 H   7.48 0.02 1 
       695 298  67 ASN HD22 H   6.80 0.02 1 
       696 298  67 ASN C    C 170.59 0.3  1 
       697 298  67 ASN CA   C  49.83 0.3  1 
       698 298  67 ASN CB   C  35.37 0.3  1 
       699 298  67 ASN N    N 114.86 0.3  1 
       700 298  67 ASN ND2  N 112.43 0.3  1 
       701 299  68 ASP H    H   7.09 0.02 1 
       702 299  68 ASP HA   H   4.30 0.02 1 
       703 299  68 ASP HB2  H   2.20 0.02 2 
       704 299  68 ASP HB3  H   2.55 0.02 2 
       705 299  68 ASP C    C 168.20 0.3  1 
       706 299  68 ASP CA   C  51.97 0.3  1 
       707 299  68 ASP CB   C  41.33 0.3  1 
       708 299  68 ASP N    N 117.02 0.3  1 
       709 300  69 SER H    H   8.14 0.02 1 
       710 300  69 SER HA   H   4.54 0.02 1 
       711 300  69 SER HB2  H   3.64 0.02 2 
       712 300  69 SER HB3  H   3.47 0.02 2 
       713 300  69 SER CA   C  51.67 0.3  1 
       714 300  69 SER CB   C  61.60 0.3  1 
       715 300  69 SER N    N 112.94 0.3  1 
       716 301  70 PRO HA   H   4.65 0.02 1 
       717 301  70 PRO HB2  H   2.32 0.02 2 
       718 301  70 PRO HB3  H   1.98 0.02 2 
       719 301  70 PRO HD2  H   3.47 0.02 2 
       720 301  70 PRO HD3  H   3.36 0.02 2 
       721 301  70 PRO HG2  H   1.73 0.02 2 
       722 301  70 PRO HG3  H   1.81 0.02 2 
       723 301  70 PRO C    C 170.23 0.3  1 
       724 301  70 PRO CA   C  60.31 0.3  1 
       725 301  70 PRO CB   C  32.14 0.3  1 
       726 301  70 PRO CD   C  47.60 0.3  1 
       727 301  70 PRO CG   C  22.60 0.3  1 
       728 302  71 LYS H    H   8.08 0.02 1 
       729 302  71 LYS HA   H   3.52 0.02 1 
       730 302  71 LYS HG2  H   1.23 0.02 2 
       731 302  71 LYS HG3  H   1.44 0.02 2 
       732 302  71 LYS C    C 170.26 0.3  1 
       733 302  71 LYS CA   C  55.51 0.3  1 
       734 302  71 LYS CB   C  30.92 0.3  1 
       735 302  71 LYS CD   C  27.46 0.3  1 
       736 302  71 LYS CE   C  39.69 0.3  1 
       737 302  71 LYS CG   C  21.95 0.3  1 
       738 302  71 LYS N    N 119.22 0.3  1 
       739 303  72 ARG H    H   7.27 0.02 1 
       740 303  72 ARG HA   H   4.46 0.02 1 
       741 303  72 ARG HB2  H   1.82 0.02 2 
       742 303  72 ARG HB3  H   1.36 0.02 2 
       743 303  72 ARG HD2  H   2.90 0.02 2 
       744 303  72 ARG HD3  H   2.87 0.02 2 
       745 303  72 ARG HE   H   6.79 0.02 1 
       746 303  72 ARG C    C 169.40 0.3  1 
       747 303  72 ARG CA   C  51.91 0.3  1 
       748 303  72 ARG CB   C  30.53 0.3  1 
       749 303  72 ARG CD   C  41.33 0.3  1 
       750 303  72 ARG CG   C  26.17 0.3  1 
       751 303  72 ARG N    N 119.54 0.3  1 
       752 303  72 ARG NE   N 119.27 0.3  1 
       753 304  73 TYR H    H   8.79 0.02 1 
       754 304  73 TYR HA   H   5.71 0.02 1 
       755 304  73 TYR HB2  H   2.24 0.02 2 
       756 304  73 TYR HB3  H   2.70 0.02 2 
       757 304  73 TYR HD1  H   6.74 0.02 3 
       758 304  73 TYR HD2  H   6.70 0.02 3 
       759 304  73 TYR HE1  H   6.88 0.02 3 
       760 304  73 TYR HE2  H   6.86 0.02 3 
       761 304  73 TYR C    C 170.26 0.3  1 
       762 304  73 TYR CA   C  54.92 0.3  1 
       763 304  73 TYR CB   C  40.83 0.3  1 
       764 304  73 TYR N    N 115.29 0.3  1 
       765 305  74 TYR H    H   8.82 0.02 1 
       766 305  74 TYR HA   H   5.19 0.02 1 
       767 305  74 TYR HB2  H   2.98 0.02 2 
       768 305  74 TYR HB3  H   3.11 0.02 2 
       769 305  74 TYR HD1  H   6.33 0.02 3 
       770 305  74 TYR HD2  H   6.34 0.02 3 
       771 305  74 TYR HE1  H   6.37 0.02 3 
       772 305  74 TYR HE2  H   6.38 0.02 3 
       773 305  74 TYR C    C 167.90 0.3  1 
       774 305  74 TYR CA   C  55.34 0.3  1 
       775 305  74 TYR CB   C  38.67 0.3  1 
       776 305  74 TYR CD1  C 127.85 0.3  1 
       777 305  74 TYR CE1  C 112.21 0.3  1 
       778 305  74 TYR N    N 116.19 0.3  1 
       779 306  75 VAL H    H   9.90 0.02 1 
       780 306  75 VAL HA   H   4.49 0.02 1 
       781 306  75 VAL HB   H   1.74 0.02 1 
       782 306  75 VAL HG1  H   0.65 0.02 1 
       783 306  75 VAL HG2  H   0.47 0.02 1 
       784 306  75 VAL C    C 170.54 0.3  1 
       785 306  75 VAL CA   C  59.74 0.3  1 
       786 306  75 VAL CB   C  30.88 0.3  1 
       787 306  75 VAL CG1  C  21.50 0.3  1 
       788 306  75 VAL CG2  C  18.84 0.3  1 
       789 306  75 VAL N    N 114.39 0.3  1 
       790 307  76 ALA H    H   9.31 0.02 1 
       791 307  76 ALA HA   H   4.69 0.02 1 
       792 307  76 ALA HB   H   1.57 0.02 1 
       793 307  76 ALA C    C 171.60 0.3  1 
       794 307  76 ALA CA   C  48.68 0.3  1 
       795 307  76 ALA CB   C  19.04 0.3  1 
       796 307  76 ALA N    N 128.32 0.3  1 
       797 308  77 GLU H    H   8.74 0.02 1 
       798 308  77 GLU HA   H   3.05 0.02 1 
       799 308  77 GLU HB2  H   1.70 0.02 2 
       800 308  77 GLU HB3  H   1.63 0.02 2 
       801 308  77 GLU C    C 170.87 0.3  1 
       802 308  77 GLU CA   C  56.92 0.3  1 
       803 308  77 GLU CB   C  26.88 0.3  1 
       804 308  77 GLU CG   C  34.03 0.3  1 
       805 308  77 GLU N    N 121.57 0.3  1 
       806 309  78 LYS H    H   7.76 0.02 1 
       807 309  78 LYS HA   H   3.54 0.02 1 
       808 309  78 LYS HB2  H   1.27 0.02 2 
       809 309  78 LYS HB3  H   1.06 0.02 2 
       810 309  78 LYS HG2  H   0.99 0.02 2 
       811 309  78 LYS HG3  H   0.82 0.02 2 
       812 309  78 LYS C    C 170.43 0.3  1 
       813 309  78 LYS CA   C  55.01 0.3  1 
       814 309  78 LYS CB   C  29.50 0.3  1 
       815 309  78 LYS CD   C  26.40 0.3  1 
       816 309  78 LYS CE   C  39.33 0.3  1 
       817 309  78 LYS CG   C  22.76 0.3  1 
       818 309  78 LYS N    N 113.69 0.3  1 
       819 310  79 TYR H    H   7.78 0.02 1 
       820 310  79 TYR HA   H   4.26 0.02 1 
       821 310  79 TYR HB2  H   3.04 0.02 2 
       822 310  79 TYR HB3  H   2.66 0.02 2 
       823 310  79 TYR HD1  H   6.80 0.02 3 
       824 310  79 TYR HD2  H   6.80 0.02 3 
       825 310  79 TYR HE1  H   6.63 0.02 3 
       826 310  79 TYR HE2  H   6.65 0.02 3 
       827 310  79 TYR C    C 166.41 0.3  1 
       828 310  79 TYR CA   C  54.23 0.3  1 
       829 310  79 TYR CB   C  36.27 0.3  1 
       830 310  79 TYR CD1  C 128.13 0.3  1 
       831 310  79 TYR CE1  C 112.03 0.3  1 
       832 310  79 TYR N    N 120.57 0.3  1 
       833 311  80 VAL H    H   7.18 0.02 1 
       834 311  80 VAL HA   H   4.60 0.02 1 
       835 311  80 VAL HB   H   1.40 0.02 1 
       836 311  80 VAL HG1  H   0.60 0.02 1 
       837 311  80 VAL HG2  H   0.38 0.02 1 
       838 311  80 VAL C    C 170.43 0.3  1 
       839 311  80 VAL CA   C  57.52 0.3  1 
       840 311  80 VAL CB   C  30.97 0.3  1 
       841 311  80 VAL CG1  C  20.60 0.3  1 
       842 311  80 VAL CG2  C  18.01 0.3  1 
       843 311  80 VAL N    N 120.96 0.3  1 
       844 312  81 PHE H    H   9.28 0.02 1 
       845 312  81 PHE HA   H   4.81 0.02 1 
       846 312  81 PHE HB2  H   3.18 0.02 2 
       847 312  81 PHE HB3  H   2.64 0.02 2 
       848 312  81 PHE HD1  H   7.18 0.02 3 
       849 312  81 PHE HD2  H   7.16 0.02 3 
       850 312  81 PHE HE1  H   6.98 0.02 3 
       851 312  81 PHE HE2  H   6.94 0.02 3 
       852 312  81 PHE HZ   H   6.08 0.02 1 
       853 312  81 PHE C    C 171.45 0.3  1 
       854 312  81 PHE CA   C  54.99 0.3  1 
       855 312  81 PHE CB   C  43.14 0.3  1 
       856 312  81 PHE N    N 121.08 0.3  1 
       857 313  82 ASP H    H   9.16 0.02 1 
       858 313  82 ASP HA   H   4.57 0.02 1 
       859 313  82 ASP HB2  H   2.51 0.02 1 
       860 313  82 ASP C    C 170.43 0.3  1 
       861 313  82 ASP CA   C  53.94 0.3  1 
       862 313  82 ASP CB   C  38.64 0.3  1 
       863 313  82 ASP N    N 117.87 0.3  1 
       864 314  83 SER H    H   7.59 0.02 1 
       865 314  83 SER HA   H   4.71 0.02 1 
       866 314  83 SER HB2  H   3.97 0.02 2 
       867 314  83 SER HB3  H   3.85 0.02 2 
       868 314  83 SER C    C 167.49 0.3  1 
       869 314  83 SER CA   C  53.69 0.3  1 
       870 314  83 SER CB   C  63.90 0.3  1 
       871 314  83 SER N    N 110.49 0.3  1 
       872 315  84 ILE H    H   8.92 0.02 1 
       873 315  84 ILE HA   H   3.48 0.02 1 
       874 315  84 ILE HB   H   1.41 0.02 1 
       875 315  84 ILE HD1  H   0.40 0.02 1 
       876 315  84 ILE HG12 H   0.48 0.02 2 
       877 315  84 ILE HG13 H   0.17 0.02 2 
       878 315  84 ILE HG2  H   0.40 0.02 1 
       879 315  84 ILE CA   C  63.97 0.3  1 
       880 315  84 ILE CB   C  32.78 0.3  1 
       881 315  84 ILE CD1  C  11.61 0.3  1 
       882 315  84 ILE CG1  C  27.91 0.3  1 
       883 315  84 ILE CG2  C  14.55 0.3  1 
       884 315  84 ILE N    N 120.57 0.3  1 
       885 316  85 PRO HA   H   3.85 0.02 1 
       886 316  85 PRO HB2  H   1.97 0.02 2 
       887 316  85 PRO HB3  H   1.56 0.02 2 
       888 316  85 PRO HD2  H   3.30 0.02 2 
       889 316  85 PRO HD3  H   3.56 0.02 2 
       890 316  85 PRO HG2  H   2.09 0.02 2 
       891 316  85 PRO HG3  H   1.20 0.02 2 
       892 316  85 PRO C    C 173.51 0.3  1 
       893 316  85 PRO CA   C  64.14 0.3  1 
       894 316  85 PRO CB   C  28.29 0.3  1 
       895 316  85 PRO CD   C  46.56 0.3  1 
       896 316  85 PRO CG   C  26.76 0.3  1 
       897 317  86 LEU H    H   7.20 0.02 1 
       898 317  86 LEU HA   H   3.86 0.02 1 
       899 317  86 LEU HB2  H   1.80 0.02 2 
       900 317  86 LEU HB3  H   1.46 0.02 2 
       901 317  86 LEU HD1  H   1.01 0.02 1 
       902 317  86 LEU HD2  H   0.86 0.02 1 
       903 317  86 LEU HG   H   1.47 0.02 1 
       904 317  86 LEU C    C 172.85 0.3  1 
       905 317  86 LEU CA   C  55.37 0.3  1 
       906 317  86 LEU CB   C  39.26 0.3  1 
       907 317  86 LEU CD1  C  23.40 0.3  1 
       908 317  86 LEU CD2  C  20.01 0.3  1 
       909 317  86 LEU CG   C  25.06 0.3  1 
       910 317  86 LEU N    N 116.41 0.3  1 
       911 318  87 LEU H    H   7.11 0.02 1 
       912 318  87 LEU HA   H   2.53 0.02 1 
       913 318  87 LEU HB2  H   2.01 0.02 2 
       914 318  87 LEU HB3  H   1.41 0.02 2 
       915 318  87 LEU HD1  H   1.06 0.02 1 
       916 318  87 LEU HD2  H   0.52 0.02 1 
       917 318  87 LEU HG   H   1.72 0.02 1 
       918 318  87 LEU C    C 172.67 0.3  1 
       919 318  87 LEU CA   C  55.39 0.3  1 
       920 318  87 LEU CB   C  40.27 0.3  1 
       921 318  87 LEU CD1  C  26.09 0.3  1 
       922 318  87 LEU CD2  C  22.43 0.3  1 
       923 318  87 LEU CG   C  24.49 0.3  1 
       924 318  87 LEU N    N 124.14 0.3  1 
       925 319  88 ILE H    H   7.88 0.02 1 
       926 319  88 ILE HA   H   2.95 0.02 1 
       927 319  88 ILE HB   H   1.22 0.02 1 
       928 319  88 ILE HD1  H  -0.26 0.02 1 
       929 319  88 ILE HG12 H   0.87 0.02 2 
       930 319  88 ILE HG13 H  -0.70 0.02 2 
       931 319  88 ILE HG2  H  -0.47 0.02 1 
       932 319  88 ILE C    C 172.02 0.3  1 
       933 319  88 ILE CA   C  58.34 0.3  1 
       934 319  88 ILE CB   C  31.92 0.3  1 
       935 319  88 ILE CD1  C   5.46 0.3  1 
       936 319  88 ILE CG1  C  22.42 0.3  1 
       937 319  88 ILE CG2  C  13.48 0.3  1 
       938 319  88 ILE N    N 119.22 0.3  1 
       939 320  89 GLN H    H   7.73 0.02 1 
       940 320  89 GLN HA   H   3.96 0.02 1 
       941 320  89 GLN HB2  H   2.01 0.02 2 
       942 320  89 GLN HB3  H   1.94 0.02 2 
       943 320  89 GLN HE21 H   7.38 0.02 1 
       944 320  89 GLN HE22 H   6.76 0.02 1 
       945 320  89 GLN HG2  H   2.35 0.02 2 
       946 320  89 GLN HG3  H   2.27 0.02 2 
       947 320  89 GLN C    C 173.38 0.3  1 
       948 320  89 GLN CA   C  56.23 0.3  1 
       949 320  89 GLN CB   C  26.13 0.3  1 
       950 320  89 GLN CG   C  31.79 0.3  1 
       951 320  89 GLN N    N 116.67 0.3  1 
       952 320  89 GLN NE2  N 110.89 0.3  1 
       953 321  90 TYR H    H   7.52 0.02 1 
       954 321  90 TYR HA   H   3.83 0.02 1 
       955 321  90 TYR HB2  H   2.58 0.02 2 
       956 321  90 TYR HB3  H   2.20 0.02 2 
       957 321  90 TYR HD1  H   6.19 0.02 3 
       958 321  90 TYR HD2  H   6.15 0.02 3 
       959 321  90 TYR HE1  H   6.84 0.02 3 
       960 321  90 TYR HE2  H   6.89 0.02 3 
       961 321  90 TYR C    C 173.73 0.3  1 
       962 321  90 TYR CA   C  59.83 0.3  1 
       963 321  90 TYR CB   C  36.42 0.3  1 
       964 321  90 TYR N    N 118.63 0.3  1 
       965 322  91 HIS H    H   7.62 0.02 1 
       966 322  91 HIS HA   H   4.50 0.02 1 
       967 322  91 HIS HB2  H   2.90 0.02 2 
       968 322  91 HIS HB3  H   2.49 0.02 2 
       969 322  91 HIS HD1  H  10.81 0.02 1 
       970 322  91 HIS HD2  H   6.75 0.02 1 
       971 322  91 HIS HE1  H   7.54 0.02 1 
       972 322  91 HIS C    C 170.08 0.3  1 
       973 322  91 HIS CA   C  55.38 0.3  1 
       974 322  91 HIS CB   C  25.27 0.3  1 
       975 322  91 HIS CD2  C 112.79 0.3  1 
       976 322  91 HIS CE1  C 132.71 0.3  1 
       977 322  91 HIS N    N 116.83 0.3  1 
       978 323  92 GLN H    H   7.60 0.02 1 
       979 323  92 GLN HA   H   4.37 0.02 1 
       980 323  92 GLN HB2  H   1.82 0.02 2 
       981 323  92 GLN HB3  H   1.39 0.02 2 
       982 323  92 GLN HE21 H   6.95 0.02 1 
       983 323  92 GLN HE22 H   6.75 0.02 1 
       984 323  92 GLN HG2  H   1.62 0.02 1 
       985 323  92 GLN C    C 171.82 0.3  1 
       986 323  92 GLN CA   C  54.90 0.3  1 
       987 323  92 GLN CB   C  27.47 0.3  1 
       988 323  92 GLN CG   C  31.76 0.3  1 
       989 323  92 GLN N    N 119.35 0.3  1 
       990 323  92 GLN NE2  N 109.02 0.3  1 
       991 324  93 TYR H    H   6.76 0.02 1 
       992 324  93 TYR HA   H   4.28 0.02 1 
       993 324  93 TYR HB2  H   2.44 0.02 2 
       994 324  93 TYR HB3  H   2.93 0.02 2 
       995 324  93 TYR HD1  H   7.00 0.02 1 
       996 324  93 TYR HE1  H   6.62 0.02 1 
       997 324  93 TYR C    C 169.55 0.3  1 
       998 324  93 TYR CA   C  55.70 0.3  1 
       999 324  93 TYR CB   C  37.54 0.3  1 
      1000 324  93 TYR CD1  C 127.74 0.3  1 
      1001 324  93 TYR CE1  C 112.42 0.3  1 
      1002 324  93 TYR N    N 115.09 0.3  1 
      1003 325  94 ASN H    H   7.54 0.02 1 
      1004 325  94 ASN HA   H   4.47 0.02 1 
      1005 325  94 ASN HB2  H   1.87 0.02 2 
      1006 325  94 ASN HB3  H   1.42 0.02 2 
      1007 325  94 ASN HD21 H   6.83 0.02 1 
      1008 325  94 ASN HD22 H   6.74 0.02 1 
      1009 325  94 ASN C    C 168.17 0.3  1 
      1010 325  94 ASN CA   C  49.33 0.3  1 
      1011 325  94 ASN CB   C  38.70 0.3  1 
      1012 325  94 ASN N    N 117.89 0.3  1 
      1013 325  94 ASN ND2  N 117.04 0.3  1 
      1014 326  95 GLY H    H   8.66 0.02 1 
      1015 326  95 GLY C    C 171.04 0.3  1 
      1016 326  95 GLY CA   C  43.82 0.3  1 
      1017 326  95 GLY N    N 109.78 0.3  1 
      1018 327  96 GLY H    H   8.18 0.02 1 
      1019 327  96 GLY HA2  H   4.32 0.02 2 
      1020 327  96 GLY HA3  H   3.69 0.02 2 
      1021 327  96 GLY C    C 168.26 0.3  1 
      1022 327  96 GLY CA   C  43.90 0.3  1 
      1023 327  96 GLY N    N 107.41 0.3  1 
      1024 328  97 GLY H    H   8.23 0.02 1 
      1025 328  97 GLY HA2  H   4.21 0.02 2 
      1026 328  97 GLY HA3  H   3.64 0.02 2 
      1027 328  97 GLY C    C 169.85 0.3  1 
      1028 328  97 GLY CA   C  42.40 0.3  1 
      1029 328  97 GLY N    N 106.61 0.3  1 
      1030 329  98 LEU H    H   7.63 0.02 1 
      1031 329  98 LEU HA   H   4.14 0.02 1 
      1032 329  98 LEU HB2  H   1.65 0.02 2 
      1033 329  98 LEU HB3  H   1.05 0.02 2 
      1034 329  98 LEU HD1  H   0.03 0.02 1 
      1035 329  98 LEU HD2  H  -0.38 0.02 1 
      1036 329  98 LEU HG   H   1.08 0.02 1 
      1037 329  98 LEU C    C 172.86 0.3  1 
      1038 329  98 LEU CA   C  51.30 0.3  1 
      1039 329  98 LEU CB   C  40.31 0.3  1 
      1040 329  98 LEU CD1  C  21.46 0.3  1 
      1041 329  98 LEU CD2  C  17.78 0.3  1 
      1042 329  98 LEU CG   C  24.08 0.3  1 
      1043 329  98 LEU N    N 119.24 0.3  1 
      1044 330  99 VAL H    H   7.41 0.02 1 
      1045 330  99 VAL HA   H   3.79 0.02 1 
      1046 330  99 VAL HB   H   2.03 0.02 1 
      1047 330  99 VAL HG1  H   0.74 0.02 1 
      1048 330  99 VAL CA   C  60.94 0.3  1 
      1049 330  99 VAL CB   C  29.28 0.3  1 
      1050 330  99 VAL CG1  C  18.09 0.3  1 
      1051 330  99 VAL N    N 114.84 0.3  1 
      1052 331 100 THR H    H   6.94 0.02 1 
      1053 331 100 THR HA   H   4.21 0.02 1 
      1054 331 100 THR HB   H   3.89 0.02 1 
      1055 331 100 THR HG2  H   1.02 0.02 1 
      1056 331 100 THR C    C 165.68 0.3  1 
      1057 331 100 THR CA   C  56.88 0.3  1 
      1058 331 100 THR CB   C  67.30 0.3  1 
      1059 331 100 THR CG2  C  18.30 0.3  1 
      1060 331 100 THR N    N 112.88 0.3  1 
      1061 332 101 ARG H    H   7.40 0.02 1 
      1062 332 101 ARG HA   H   3.97 0.02 1 
      1063 332 101 ARG HG2  H   1.23 0.02 2 
      1064 332 101 ARG HG3  H   1.07 0.02 2 
      1065 332 101 ARG C    C 170.27 0.3  1 
      1066 332 101 ARG CA   C  53.46 0.3  1 
      1067 332 101 ARG CB   C  28.78 0.3  1 
      1068 332 101 ARG CD   C  41.15 0.3  1 
      1069 332 101 ARG CG   C  24.86 0.3  1 
      1070 332 101 ARG N    N 120.12 0.3  1 
      1071 333 102 LEU H    H   7.34 0.02 1 
      1072 333 102 LEU HA   H   3.61 0.02 1 
      1073 333 102 LEU HB2  H   0.53 0.02 2 
      1074 333 102 LEU HB3  H  -1.20 0.02 2 
      1075 333 102 LEU HD1  H  -0.01 0.02 1 
      1076 333 102 LEU HD2  H  -0.09 0.02 1 
      1077 333 102 LEU HG   H   0.94 0.02 1 
      1078 333 102 LEU C    C 169.73 0.3  1 
      1079 333 102 LEU CA   C  50.83 0.3  1 
      1080 333 102 LEU CB   C  34.16 0.3  1 
      1081 333 102 LEU CD1  C  18.33 0.3  1 
      1082 333 102 LEU CD2  C  23.41 0.3  1 
      1083 333 102 LEU CG   C  22.39 0.3  1 
      1084 333 102 LEU N    N 119.70 0.3  1 
      1085 334 103 ARG H    H   8.19 0.02 1 
      1086 334 103 ARG HA   H   4.11 0.02 1 
      1087 334 103 ARG C    C 171.63 0.3  1 
      1088 334 103 ARG CA   C  55.21 0.3  1 
      1089 334 103 ARG CB   C  31.20 0.3  1 
      1090 334 103 ARG CD   C  40.56 0.3  1 
      1091 334 103 ARG CG   C  24.96 0.3  1 
      1092 334 103 ARG N    N 122.27 0.3  1 
      1093 335 104 TYR H    H   7.60 0.02 1 
      1094 335 104 TYR HA   H   5.16 0.02 1 
      1095 335 104 TYR HB2  H   2.91 0.02 2 
      1096 335 104 TYR HB3  H   2.46 0.02 2 
      1097 335 104 TYR HD1  H   6.92 0.02 1 
      1098 335 104 TYR HE1  H   6.78 0.02 1 
      1099 335 104 TYR CA   C  51.85 0.3  1 
      1100 335 104 TYR CB   C  37.71 0.3  1 
      1101 335 104 TYR N    N 117.95 0.3  1 
      1102 336 105 PRO HA   H   3.49 0.02 1 
      1103 336 105 PRO HB2  H   1.66 0.02 2 
      1104 336 105 PRO HB3  H   1.55 0.02 2 
      1105 336 105 PRO HD2  H   3.69 0.02 2 
      1106 336 105 PRO HD3  H   3.77 0.02 2 
      1107 336 105 PRO HG2  H   1.95 0.02 2 
      1108 336 105 PRO HG3  H   2.14 0.02 2 
      1109 336 105 PRO C    C 171.29 0.3  1 
      1110 336 105 PRO CA   C  59.54 0.3  1 
      1111 336 105 PRO CB   C  30.10 0.3  1 
      1112 336 105 PRO CD   C  48.22 0.3  1 
      1113 336 105 PRO CG   C  24.66 0.3  1 
      1114 337 106 VAL H    H   8.16 0.02 1 
      1115 337 106 VAL HA   H   3.94 0.02 1 
      1116 337 106 VAL HB   H   1.52 0.02 1 
      1117 337 106 VAL HG1  H   0.90 0.02 1 
      1118 337 106 VAL HG2  H   0.56 0.02 1 
      1119 337 106 VAL C    C 168.53 0.3  1 
      1120 337 106 VAL CA   C  59.38 0.3  1 
      1121 337 106 VAL CB   C  30.66 0.3  1 
      1122 337 106 VAL CG1  C  20.65 0.3  1 
      1123 337 106 VAL CG2  C  18.67 0.3  1 
      1124 337 106 VAL N    N 124.78 0.3  1 
      1125 338 107 CYS H    H   8.20 0.02 1 
      1126 338 107 CYS HA   H   4.63 0.02 1 
      1127 338 107 CYS HB2  H   2.82 0.02 2 
      1128 338 107 CYS HB3  H   2.71 0.02 2 
      1129 338 107 CYS C    C 169.91 0.3  1 
      1130 338 107 CYS CA   C  54.83 0.3  1 
      1131 338 107 CYS CB   C  26.09 0.3  1 
      1132 338 107 CYS N    N 124.32 0.3  1 
      1133 339 108 GLY H    H   8.48 0.02 1 
      1134 339 108 GLY HA2  H   3.91 0.02 2 
      1135 339 108 GLY HA3  H   3.51 0.02 2 
      1136 339 108 GLY C    C 168.01 0.3  1 
      1137 339 108 GLY CA   C  42.95 0.3  1 
      1138 339 108 GLY N    N 112.34 0.3  1 

   stop_

save_


save_assigned_chem_shift_list_SH2_35%_bound_1
   _Saveframe_category               assigned_chemical_shifts

   _Details                         
;
SH2 domain at 35% bound          
3.4mM 14N 12C          
1.5mM 15N 13C
;

   loop_
      _Software_label

      $CARA 

   stop_

   loop_
      _Experiment_label

      '2D 1H-15N HSQC'  
      '2D 1H-13C HSQC'  
      '3D HNCO'         
      '3D HNCACB'       
      '3D HBHA(CO)NH'   
      '3D HCCH-TOCSY'   
      '3D 1H-15N TOCSY' 
       (HB)CB(CGCDCE)HE 
       (HB)CB(CGCD)HD   

   stop_

   loop_
      _Sample_label

      $SH3_35%_bound 
      $SH2_35%_bound 

   stop_

   _Sample_conditions_label         $isotropic_conditions_1
   _Chem_shift_reference_set_label  $chemical_shift_reference_1
   _Mol_system_component_name        Itk_SH3_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

        1 169  1 GLY H    H   8.57 0.02 1 
        2 169  1 GLY CA   C  40.91 0.3  1 
        3 169  1 GLY N    N 107.98 0.3  1 
        4 170  2 SER HA   H   4.48 0.02 1 
        5 170  2 SER CA   C  53.34 0.3  1 
        6 170  2 SER CB   C  61.22 0.3  1 
        7 171  3 PRO HA   H   4.28 0.02 1 
        8 171  3 PRO HB2  H   2.16 0.02 2 
        9 171  3 PRO HB3  H   1.76 0.02 2 
       10 171  3 PRO HG2  H   1.89 0.02 2 
       11 171  3 PRO HG3  H   1.85 0.02 2 
       12 171  3 PRO C    C 174.29 0.3  1 
       13 171  3 PRO CA   C  61.25 0.3  1 
       14 171  3 PRO CB   C  29.41 0.3  1 
       15 171  3 PRO CD   C  48.13 0.3  1 
       16 171  3 PRO CG   C  24.81 0.3  1 
       17 172  4 GLU H    H   8.32 0.02 1 
       18 172  4 GLU HA   H   4.08 0.02 1 
       19 172  4 GLU HB2  H   1.76 0.02 2 
       20 172  4 GLU HB3  H   1.92 0.02 2 
       21 172  4 GLU HG2  H   2.18 0.02 2 
       22 172  4 GLU HG3  H   2.12 0.02 2 
       23 172  4 GLU C    C 173.56 0.3  1 
       24 172  4 GLU CA   C  54.43 0.3  1 
       25 172  4 GLU CB   C  27.26 0.3  1 
       26 172  4 GLU CG   C  33.70 0.3  1 
       27 172  4 GLU N    N 119.35 0.3  1 
       28 173  5 GLU H    H   8.03 0.02 1 
       29 173  5 GLU HA   H   4.25 0.02 1 
       30 173  5 GLU HG2  H   2.10 0.02 2 
       31 173  5 GLU HG3  H   2.07 0.02 2 
       32 173  5 GLU C    C 173.22 0.3  1 
       33 173  5 GLU CA   C  54.39 0.3  1 
       34 173  5 GLU CB   C  28.11 0.3  1 
       35 173  5 GLU CG   C  33.73 0.3  1 
       36 173  5 GLU N    N 120.55 0.3  1 
       37 174  6 THR H    H   8.55 0.02 1 
       38 174  6 THR HA   H   4.27 0.02 1 
       39 174  6 THR HB   H   4.01 0.02 1 
       40 174  6 THR HG2  H   1.05 0.02 1 
       41 174  6 THR C    C 170.17 0.3  1 
       42 174  6 THR CA   C  59.95 0.3  1 
       43 174  6 THR CB   C  67.50 0.3  1 
       44 174  6 THR CG2  C  19.17 0.3  1 
       45 174  6 THR N    N 119.00 0.3  1 
       46 175  7 LEU H    H   8.43 0.02 1 
       47 175  7 LEU HA   H   5.06 0.02 1 
       48 175  7 LEU HB2  H   1.59 0.02 2 
       49 175  7 LEU HB3  H   1.08 0.02 2 
       50 175  7 LEU HD1  H   0.64 0.02 1 
       51 175  7 LEU HD2  H   0.34 0.02 1 
       52 175  7 LEU HG   H   1.42 0.02 1 
       53 175  7 LEU C    C 174.37 0.3  1 
       54 175  7 LEU CA   C  51.34 0.3  1 
       55 175  7 LEU CB   C  41.99 0.3  1 
       56 175  7 LEU CD1  C  22.94 0.3  1 
       57 175  7 LEU CD2  C  21.55 0.3  1 
       58 175  7 LEU CG   C  25.09 0.3  1 
       59 175  7 LEU N    N 127.13 0.3  1 
       60 176  8 VAL H    H   9.20 0.02 1 
       61 176  8 VAL HA   H   5.11 0.02 1 
       62 176  8 VAL HB   H   2.02 0.02 1 
       63 176  8 VAL HG1  H   0.84 0.02 1 
       64 176  8 VAL HG2  H   0.84 0.02 1 
       65 176  8 VAL C    C 170.92 0.3  1 
       66 176  8 VAL CA   C  55.44 0.3  1 
       67 176  8 VAL CB   C  33.01 0.3  1 
       68 176  8 VAL CG1  C  18.09 0.3  1 
       69 176  8 VAL CG2  C  20.76 0.3  1 
       70 176  8 VAL N    N 114.51 0.3  1 
       71 177  9 ILE H    H   9.26 0.02 1 
       72 177  9 ILE HA   H   5.00 0.02 1 
       73 177  9 ILE HB   H   1.47 0.02 1 
       74 177  9 ILE HD1  H   0.70 0.02 1 
       75 177  9 ILE HG12 H   1.31 0.02 2 
       76 177  9 ILE HG13 H   0.94 0.02 2 
       77 177  9 ILE HG2  H   0.72 0.02 1 
       78 177  9 ILE C    C 173.31 0.3  1 
       79 177  9 ILE CA   C  56.04 0.3  1 
       80 177  9 ILE CB   C  38.73 0.3  1 
       81 177  9 ILE CD1  C  11.18 0.3  1 
       82 177  9 ILE CG1  C  25.59 0.3  1 
       83 177  9 ILE CG2  C  15.03 0.3  1 
       84 177  9 ILE N    N 120.63 0.3  1 
       85 178 10 ALA H    H   8.14 0.02 1 
       86 178 10 ALA HA   H   5.02 0.02 1 
       87 178 10 ALA HB   H   1.58 0.02 1 
       88 178 10 ALA C    C 176.10 0.3  1 
       89 178 10 ALA CA   C  48.68 0.3  1 
       90 178 10 ALA CB   C  17.41 0.3  1 
       91 178 10 ALA N    N 125.35 0.3  1 
       92 179 11 LEU H    H   9.27 0.02 1 
       93 179 11 LEU HA   H   3.82 0.02 1 
       94 179 11 LEU HB2  H   0.86 0.02 2 
       95 179 11 LEU HB3  H   0.49 0.02 2 
       96 179 11 LEU HD1  H   0.58 0.02 1 
       97 179 11 LEU HD2  H   0.53 0.02 1 
       98 179 11 LEU HG   H   1.17 0.02 1 
       99 179 11 LEU C    C 172.83 0.3  1 
      100 179 11 LEU CA   C  52.95 0.3  1 
      101 179 11 LEU CB   C  41.34 0.3  1 
      102 179 11 LEU CD1  C  22.71 0.3  1 
      103 179 11 LEU CD2  C  19.89 0.3  1 
      104 179 11 LEU CG   C  24.03 0.3  1 
      105 179 11 LEU N    N 125.92 0.3  1 
      106 180 12 TYR H    H   6.95 0.02 1 
      107 180 12 TYR HA   H   4.59 0.02 1 
      108 180 12 TYR HB2  H   3.02 0.02 2 
      109 180 12 TYR HB3  H   2.26 0.02 2 
      110 180 12 TYR C    C 170.94 0.3  1 
      111 180 12 TYR CA   C  50.96 0.3  1 
      112 180 12 TYR CB   C  39.78 0.3  1 
      113 180 12 TYR N    N 111.35 0.3  1 
      114 181 13 ASP H    H   8.15 0.02 1 
      115 181 13 ASP HA   H   4.51 0.02 1 
      116 181 13 ASP HB2  H   2.57 0.02 2 
      117 181 13 ASP HB3  H   2.48 0.02 2 
      118 181 13 ASP C    C 173.29 0.3  1 
      119 181 13 ASP CA   C  51.89 0.3  1 
      120 181 13 ASP CB   C  39.09 0.3  1 
      121 181 13 ASP N    N 117.63 0.3  1 
      122 182 14 TYR H    H   8.65 0.02 1 
      123 182 14 TYR HA   H   4.82 0.02 1 
      124 182 14 TYR C    C 171.14 0.3  1 
      125 182 14 TYR CA   C  54.94 0.3  1 
      126 182 14 TYR CB   C  38.98 0.3  1 
      127 182 14 TYR N    N 121.64 0.3  1 
      128 183 15 GLN H    H   7.88 0.02 1 
      129 183 15 GLN HA   H   4.36 0.02 1 
      130 183 15 GLN HB2  H   1.75 0.02 2 
      131 183 15 GLN HB3  H   1.67 0.02 2 
      132 183 15 GLN HE21 H   7.44 0.02 1 
      133 183 15 GLN HE22 H   6.67 0.02 1 
      134 183 15 GLN C    C 171.20 0.3  1 
      135 183 15 GLN CA   C  51.63 0.3  1 
      136 183 15 GLN CB   C  26.83 0.3  1 
      137 183 15 GLN CG   C  30.87 0.3  1 
      138 183 15 GLN N    N 126.05 0.3  1 
      139 183 15 GLN NE2  N 111.92 0.3  1 
      140 184 16 THR H    H   7.77 0.02 1 
      141 184 16 THR HA   H   4.22 0.02 1 
      142 184 16 THR HB   H   3.84 0.02 1 
      143 184 16 THR HG2  H   0.85 0.02 1 
      144 184 16 THR C    C 169.07 0.3  1 
      145 184 16 THR CA   C  56.94 0.3  1 
      146 184 16 THR CB   C  66.05 0.3  1 
      147 184 16 THR CG2  C  16.99 0.3  1 
      148 184 16 THR N    N 115.12 0.3  1 
      149 185 17 ASN H    H   8.59 0.02 1 
      150 185 17 ASN HA   H   4.80 0.02 1 
      151 185 17 ASN HB2  H   2.75 0.02 2 
      152 185 17 ASN HB3  H   2.52 0.02 2 
      153 185 17 ASN HD21 H   7.42 0.02 1 
      154 185 17 ASN HD22 H   6.73 0.02 1 
      155 185 17 ASN C    C 172.01 0.3  1 
      156 185 17 ASN CA   C  49.56 0.3  1 
      157 185 17 ASN CB   C  37.30 0.3  1 
      158 185 17 ASN N    N 122.67 0.3  1 
      159 185 17 ASN ND2  N 112.99 0.3  1 
      160 186 18 ASP H    H   8.37 0.02 1 
      161 186 18 ASP HA   H   4.72 0.02 1 
      162 186 18 ASP HB2  H   2.40 0.02 2 
      163 186 18 ASP HB3  H   2.29 0.02 2 
      164 186 18 ASP CA   C  49.41 0.3  1 
      165 186 18 ASP CB   C  40.44 0.3  1 
      166 186 18 ASP N    N 125.63 0.3  1 
      167 187 19 PRO HA   H   4.41 0.02 1 
      168 187 19 PRO HB2  H   2.30 0.02 2 
      169 187 19 PRO HB3  H   1.94 0.02 2 
      170 187 19 PRO HD2  H   3.86 0.02 2 
      171 187 19 PRO HD3  H   3.68 0.02 2 
      172 187 19 PRO C    C 174.97 0.3  1 
      173 187 19 PRO CA   C  61.85 0.3  1 
      174 187 19 PRO CB   C  29.77 0.3  1 
      175 187 19 PRO CD   C  48.71 0.3  1 
      176 187 19 PRO CG   C  24.55 0.3  1 
      177 188 20 GLN H    H   8.82 0.02 1 
      178 188 20 GLN HA   H   4.46 0.02 1 
      179 188 20 GLN HB2  H   2.21 0.02 2 
      180 188 20 GLN HB3  H   1.99 0.02 2 
      181 188 20 GLN HE21 H   7.59 0.02 1 
      182 188 20 GLN HE22 H   6.71 0.02 1 
      183 188 20 GLN C    C 174.07 0.3  1 
      184 188 20 GLN CA   C  53.44 0.3  1 
      185 188 20 GLN CB   C  27.07 0.3  1 
      186 188 20 GLN CG   C  32.19 0.3  1 
      187 188 20 GLN N    N 115.81 0.3  1 
      188 188 20 GLN NE2  N 112.43 0.3  1 
      189 189 21 GLU H    H   7.87 0.02 1 
      190 189 21 GLU HA   H   5.27 0.02 1 
      191 189 21 GLU HB2  H   2.31 0.02 2 
      192 189 21 GLU HB3  H   2.15 0.02 2 
      193 189 21 GLU C    C 171.58 0.3  1 
      194 189 21 GLU CA   C  52.39 0.3  1 
      195 189 21 GLU CB   C  31.37 0.3  1 
      196 189 21 GLU CG   C  34.33 0.3  1 
      197 189 21 GLU N    N 120.38 0.3  1 
      198 190 22 LEU H    H   8.07 0.02 1 
      199 190 22 LEU HA   H   4.36 0.02 1 
      200 190 22 LEU HB2  H   1.29 0.02 2 
      201 190 22 LEU HB3  H   0.48 0.02 2 
      202 190 22 LEU HD1  H   0.70 0.02 1 
      203 190 22 LEU HD2  H   0.66 0.02 1 
      204 190 22 LEU HG   H   1.70 0.02 1 
      205 190 22 LEU C    C 170.93 0.3  1 
      206 190 22 LEU CA   C  50.44 0.3  1 
      207 190 22 LEU CB   C  42.94 0.3  1 
      208 190 22 LEU CD1  C  22.08 0.3  1 
      209 190 22 LEU CD2  C  24.41 0.3  1 
      210 190 22 LEU CG   C  23.31 0.3  1 
      211 190 22 LEU N    N 123.04 0.3  1 
      212 191 23 ALA H    H   7.77 0.02 1 
      213 191 23 ALA HA   H   4.30 0.02 1 
      214 191 23 ALA HB   H   1.34 0.02 1 
      215 191 23 ALA C    C 174.83 0.3  1 
      216 191 23 ALA CA   C  49.65 0.3  1 
      217 191 23 ALA CB   C  16.32 0.3  1 
      218 191 23 ALA N    N 124.77 0.3  1 
      219 192 24 LEU H    H   8.53 0.02 1 
      220 192 24 LEU HA   H   4.94 0.02 1 
      221 192 24 LEU HB2  H   1.89 0.02 2 
      222 192 24 LEU HB3  H   1.13 0.02 2 
      223 192 24 LEU HD1  H   0.57 0.02 1 
      224 192 24 LEU HD2  H  -0.10 0.02 1 
      225 192 24 LEU HG   H   1.71 0.02 1 
      226 192 24 LEU C    C 175.11 0.3  1 
      227 192 24 LEU CA   C  50.02 0.3  1 
      228 192 24 LEU CB   C  42.37 0.3  1 
      229 192 24 LEU CD1  C  23.42 0.3  1 
      230 192 24 LEU CD2  C  18.44 0.3  1 
      231 192 24 LEU CG   C  23.90 0.3  1 
      232 192 24 LEU N    N 117.04 0.3  1 
      233 193 25 ARG H    H   8.26 0.02 1 
      234 193 25 ARG HA   H   4.84 0.02 1 
      235 193 25 ARG HB2  H   1.70 0.02 2 
      236 193 25 ARG HB3  H   1.57 0.02 2 
      237 193 25 ARG HG2  H   1.51 0.02 2 
      238 193 25 ARG HG3  H   1.57 0.02 2 
      239 193 25 ARG C    C 171.57 0.3  1 
      240 193 25 ARG CA   C  51.00 0.3  1 
      241 193 25 ARG CB   C  29.93 0.3  1 
      242 193 25 ARG CD   C  40.57 0.3  1 
      243 193 25 ARG CG   C  24.67 0.3  1 
      244 193 25 ARG N    N 123.50 0.3  1 
      245 193 25 ARG NH1  N  85.21 0.3  1 
      246 194 26 CYS H    H   8.89 0.02 1 
      247 194 26 CYS HA   H   3.24 0.02 1 
      248 194 26 CYS C    C 172.11 0.3  1 
      249 194 26 CYS CA   C  58.74 0.3  1 
      250 194 26 CYS CB   C  24.00 0.3  1 
      251 194 26 CYS N    N 123.10 0.3  1 
      252 195 27 ASP H    H   8.86 0.02 1 
      253 195 27 ASP HA   H   4.15 0.02 1 
      254 195 27 ASP HB2  H   3.14 0.02 2 
      255 195 27 ASP HB3  H   2.71 0.02 2 
      256 195 27 ASP C    C 172.53 0.3  1 
      257 195 27 ASP CA   C  55.06 0.3  1 
      258 195 27 ASP CB   C  37.07 0.3  1 
      259 195 27 ASP N    N 120.74 0.3  1 
      260 196 28 GLU H    H   8.28 0.02 1 
      261 196 28 GLU HA   H   4.18 0.02 1 
      262 196 28 GLU C    C 170.91 0.3  1 
      263 196 28 GLU CA   C  54.05 0.3  1 
      264 196 28 GLU CB   C  27.26 0.3  1 
      265 196 28 GLU CG   C  34.44 0.3  1 
      266 196 28 GLU N    N 122.61 0.3  1 
      267 197 29 GLU H    H   7.75 0.02 1 
      268 197 29 GLU HA   H   5.05 0.02 1 
      269 197 29 GLU HG2  H   2.07 0.02 2 
      270 197 29 GLU HG3  H   1.86 0.02 2 
      271 197 29 GLU C    C 172.34 0.3  1 
      272 197 29 GLU CA   C  51.65 0.3  1 
      273 197 29 GLU CB   C  29.81 0.3  1 
      274 197 29 GLU CG   C  33.92 0.3  1 
      275 197 29 GLU N    N 119.28 0.3  1 
      276 198 30 TYR H    H   9.11 0.02 1 
      277 198 30 TYR HA   H   4.41 0.02 1 
      278 198 30 TYR HB2  H   2.68 0.02 2 
      279 198 30 TYR HB3  H   2.27 0.02 2 
      280 198 30 TYR C    C 171.55 0.3  1 
      281 198 30 TYR CA   C  53.79 0.3  1 
      282 198 30 TYR CB   C  39.45 0.3  1 
      283 198 30 TYR N    N 119.17 0.3  1 
      284 199 31 TYR H    H   9.19 0.02 1 
      285 199 31 TYR HA   H   4.78 0.02 1 
      286 199 31 TYR HB2  H   2.89 0.02 2 
      287 199 31 TYR HB3  H   2.70 0.02 2 
      288 199 31 TYR C    C 173.57 0.3  1 
      289 199 31 TYR CA   C  54.93 0.3  1 
      290 199 31 TYR CB   C  36.36 0.3  1 
      291 199 31 TYR N    N 119.57 0.3  1 
      292 200 32 LEU H    H   8.78 0.02 1 
      293 200 32 LEU HA   H   4.31 0.02 1 
      294 200 32 LEU HB2  H   1.74 0.02 2 
      295 200 32 LEU HB3  H   1.01 0.02 2 
      296 200 32 LEU HD1  H   0.19 0.02 1 
      297 200 32 LEU HD2  H   0.40 0.02 1 
      298 200 32 LEU HG   H   0.99 0.02 1 
      299 200 32 LEU C    C 172.64 0.3  1 
      300 200 32 LEU CA   C  52.20 0.3  1 
      301 200 32 LEU CB   C  40.01 0.3  1 
      302 200 32 LEU CD1  C  22.40 0.3  1 
      303 200 32 LEU CD2  C  21.36 0.3  1 
      304 200 32 LEU CG   C  24.31 0.3  1 
      305 200 32 LEU N    N 124.64 0.3  1 
      306 201 33 LEU H    H   8.79 0.02 1 
      307 201 33 LEU HA   H   4.37 0.02 1 
      308 201 33 LEU HB2  H   1.33 0.02 2 
      309 201 33 LEU HB3  H   1.16 0.02 2 
      310 201 33 LEU HD1  H   0.63 0.02 1 
      311 201 33 LEU HD2  H   0.59 0.02 1 
      312 201 33 LEU HG   H   1.41 0.02 1 
      313 201 33 LEU C    C 174.91 0.3  1 
      314 201 33 LEU CA   C  52.88 0.3  1 
      315 201 33 LEU CB   C  39.66 0.3  1 
      316 201 33 LEU CD1  C  23.37 0.3  1 
      317 201 33 LEU CD2  C  19.28 0.3  1 
      318 201 33 LEU CG   C  24.47 0.3  1 
      319 201 33 LEU N    N 127.53 0.3  1 
      320 202 34 ASP H    H   7.42 0.02 1 
      321 202 34 ASP HA   H   4.64 0.02 1 
      322 202 34 ASP C    C 172.52 0.3  1 
      323 202 34 ASP CA   C  52.11 0.3  1 
      324 202 34 ASP CB   C  40.81 0.3  1 
      325 202 34 ASP N    N 114.90 0.3  1 
      326 203 35 SER H    H   8.96 0.02 1 
      327 203 35 SER HA   H   4.25 0.02 1 
      328 203 35 SER HB2  H   3.19 0.02 2 
      329 203 35 SER HB3  H   2.16 0.02 2 
      330 203 35 SER C    C 171.52 0.3  1 
      331 203 35 SER CA   C  54.28 0.3  1 
      332 203 35 SER CB   C  59.68 0.3  1 
      333 203 35 SER N    N 123.77 0.3  1 
      334 204 36 SER H    H   8.51 0.02 1 
      335 204 36 SER HA   H   3.98 0.02 1 
      336 204 36 SER HB2  H   3.88 0.02 2 
      337 204 36 SER HB3  H   3.85 0.02 2 
      338 204 36 SER C    C 172.96 0.3  1 
      339 204 36 SER CA   C  59.31 0.3  1 
      340 204 36 SER CB   C  60.67 0.3  1 
      341 204 36 SER N    N 118.69 0.3  1 
      342 205 37 GLU H    H   8.77 0.02 1 
      343 205 37 GLU HA   H   4.56 0.02 1 
      344 205 37 GLU HG2  H   2.38 0.02 2 
      345 205 37 GLU HG3  H   2.27 0.02 2 
      346 205 37 GLU C    C 173.99 0.3  1 
      347 205 37 GLU CA   C  52.94 0.3  1 
      348 205 37 GLU CB   C  27.15 0.3  1 
      349 205 37 GLU CG   C  34.02 0.3  1 
      350 205 37 GLU N    N 123.11 0.3  1 
      351 206 38 ILE H    H   8.13 0.02 1 
      352 206 38 ILE HA   H   3.77 0.02 1 
      353 206 38 ILE HB   H   1.49 0.02 1 
      354 206 38 ILE HD1  H   0.72 0.02 1 
      355 206 38 ILE HG12 H   1.31 0.02 2 
      356 206 38 ILE HG13 H   1.01 0.02 2 
      357 206 38 ILE HG2  H   0.27 0.02 1 
      358 206 38 ILE C    C 176.12 0.3  1 
      359 206 38 ILE CA   C  62.00 0.3  1 
      360 206 38 ILE CB   C  35.53 0.3  1 
      361 206 38 ILE CD1  C  10.00 0.3  1 
      362 206 38 ILE CG1  C  25.10 0.3  1 
      363 206 38 ILE CG2  C  13.84 0.3  1 
      364 206 38 ILE N    N 117.03 0.3  1 
      365 207 39 HIS H    H   8.46 0.02 1 
      366 207 39 HIS HA   H   4.19 0.02 1 
      367 207 39 HIS HB2  H   2.96 0.02 2 
      368 207 39 HIS HB3  H   2.71 0.02 2 
      369 207 39 HIS HD1  H   6.62 0.02 1 
      370 207 39 HIS HD2  H   6.77 0.02 1 
      371 207 39 HIS HE1  H   7.56 0.02 1 
      372 207 39 HIS C    C 173.02 0.3  1 
      373 207 39 HIS CA   C  55.49 0.3  1 
      374 207 39 HIS CB   C  29.18 0.3  1 
      375 207 39 HIS CD2  C 117.45 0.3  1 
      376 207 39 HIS CE1  C 135.91 0.3  1 
      377 207 39 HIS N    N 116.55 0.3  1 
      378 208 40 TRP H    H   7.11 0.02 1 
      379 208 40 TRP HA   H   4.83 0.02 1 
      380 208 40 TRP HB2  H   2.86 0.02 2 
      381 208 40 TRP HB3  H   2.68 0.02 2 
      382 208 40 TRP HD1  H   7.00 0.02 1 
      383 208 40 TRP HE1  H  10.06 0.02 1 
      384 208 40 TRP HE3  H   6.91 0.02 1 
      385 208 40 TRP HH2  H   7.09 0.02 1 
      386 208 40 TRP HZ2  H   7.22 0.02 1 
      387 208 40 TRP HZ3  H   6.48 0.02 1 
      388 208 40 TRP C    C 171.26 0.3  1 
      389 208 40 TRP CA   C  53.52 0.3  1 
      390 208 40 TRP CB   C  29.81 0.3  1 
      391 208 40 TRP CD1  C 124.56 0.3  1 
      392 208 40 TRP CE3  C 116.16 0.3  1 
      393 208 40 TRP CH2  C 122.60 0.3  1 
      394 208 40 TRP CZ2  C 111.85 0.3  1 
      395 208 40 TRP CZ3  C 118.22 0.3  1 
      396 208 40 TRP N    N 119.72 0.3  1 
      397 208 40 TRP NE1  N 129.51 0.3  1 
      398 209 41 TRP H    H   9.23 0.02 1 
      399 209 41 TRP HA   H   5.39 0.02 1 
      400 209 41 TRP HB2  H   2.83 0.02 2 
      401 209 41 TRP HB3  H   2.67 0.02 2 
      402 209 41 TRP HD1  H   7.18 0.02 1 
      403 209 41 TRP HE1  H   9.62 0.02 1 
      404 209 41 TRP HE3  H   7.08 0.02 1 
      405 209 41 TRP HH2  H   6.99 0.02 1 
      406 209 41 TRP HZ2  H   7.42 0.02 1 
      407 209 41 TRP HZ3  H   6.59 0.02 1 
      408 209 41 TRP C    C 172.08 0.3  1 
      409 209 41 TRP CA   C  50.44 0.3  1 
      410 209 41 TRP CB   C  29.62 0.3  1 
      411 209 41 TRP CD1  C 121.21 0.3  1 
      412 209 41 TRP CE3  C 122.02 0.3  1 
      413 209 41 TRP CH2  C 117.70 0.3  1 
      414 209 41 TRP CZ2  C 111.84 0.3  1 
      415 209 41 TRP CZ3  C 118.46 0.3  1 
      416 209 41 TRP N    N 124.04 0.3  1 
      417 209 41 TRP NE1  N 128.46 0.3  1 
      418 210 42 ARG H    H   8.81 0.02 1 
      419 210 42 ARG HA   H   4.42 0.02 1 
      420 210 42 ARG HB2  H   1.61 0.02 2 
      421 210 42 ARG HB3  H   1.22 0.02 2 
      422 210 42 ARG HG2  H   1.02 0.02 2 
      423 210 42 ARG HG3  H   0.72 0.02 2 
      424 210 42 ARG C    C 172.58 0.3  1 
      425 210 42 ARG CA   C  52.81 0.3  1 
      426 210 42 ARG CB   C  29.32 0.3  1 
      427 210 42 ARG CD   C  40.30 0.3  1 
      428 210 42 ARG CG   C  25.78 0.3  1 
      429 210 42 ARG N    N 123.41 0.3  1 
      430 210 42 ARG NH1  N  83.17 0.3  1 
      431 211 43 VAL H    H   8.89 0.02 1 
      432 211 43 VAL HA   H   5.36 0.02 1 
      433 211 43 VAL HB   H   2.02 0.02 1 
      434 211 43 VAL HG1  H   0.75 0.02 1 
      435 211 43 VAL HG2  H   0.56 0.02 1 
      436 211 43 VAL C    C 170.48 0.3  1 
      437 211 43 VAL CA   C  56.19 0.3  1 
      438 211 43 VAL CB   C  34.09 0.3  1 
      439 211 43 VAL CG1  C  20.26 0.3  1 
      440 211 43 VAL CG2  C  16.33 0.3  1 
      441 211 43 VAL N    N 121.44 0.3  1 
      442 212 44 GLN H    H   8.91 0.02 1 
      443 212 44 GLN HA   H   5.61 0.02 1 
      444 212 44 GLN HB2  H   2.11 0.02 2 
      445 212 44 GLN HB3  H   1.89 0.02 2 
      446 212 44 GLN HE21 H   7.58 0.02 1 
      447 212 44 GLN HE22 H   6.60 0.02 1 
      448 212 44 GLN HG2  H   2.75 0.02 2 
      449 212 44 GLN HG3  H   2.08 0.02 2 
      450 212 44 GLN C    C 172.98 0.3  1 
      451 212 44 GLN CA   C  50.81 0.3  1 
      452 212 44 GLN CB   C  32.44 0.3  1 
      453 212 44 GLN CG   C  31.65 0.3  1 
      454 212 44 GLN N    N 119.20 0.3  1 
      455 212 44 GLN NE2  N 111.65 0.3  1 
      456 213 45 ASP H    H   9.17 0.02 1 
      457 213 45 ASP HA   H   4.97 0.02 1 
      458 213 45 ASP HB2  H   3.55 0.02 2 
      459 213 45 ASP HB3  H   2.88 0.02 2 
      460 213 45 ASP C    C 175.57 0.3  1 
      461 213 45 ASP CA   C  49.92 0.3  1 
      462 213 45 ASP CB   C  40.39 0.3  1 
      463 213 45 ASP N    N 125.56 0.3  1 
      464 214 46 LYS H    H   8.86 0.02 1 
      465 214 46 LYS HA   H   4.10 0.02 1 
      466 214 46 LYS HB2  H   1.89 0.02 2 
      467 214 46 LYS HB3  H   1.72 0.02 2 
      468 214 46 LYS C    C 174.13 0.3  1 
      469 214 46 LYS CA   C  55.74 0.3  1 
      470 214 46 LYS CB   C  28.87 0.3  1 
      471 214 46 LYS CD   C  26.45 0.3  1 
      472 214 46 LYS CE   C  39.26 0.3  1 
      473 214 46 LYS CG   C  22.39 0.3  1 
      474 214 46 LYS N    N 117.32 0.3  1 
      475 215 47 ASN H    H   8.24 0.02 1 
      476 215 47 ASN HA   H   4.79 0.02 1 
      477 215 47 ASN HB2  H   2.77 0.02 2 
      478 215 47 ASN HB3  H   2.61 0.02 2 
      479 215 47 ASN HD21 H   7.73 0.02 1 
      480 215 47 ASN HD22 H   6.90 0.02 1 
      481 215 47 ASN C    C 172.46 0.3  1 
      482 215 47 ASN CA   C  50.43 0.3  1 
      483 215 47 ASN CB   C  37.10 0.3  1 
      484 215 47 ASN N    N 117.03 0.3  1 
      485 215 47 ASN ND2  N 114.42 0.3  1 
      486 216 48 GLY H    H   7.96 0.02 1 
      487 216 48 GLY HA2  H   4.10 0.02 2 
      488 216 48 GLY HA3  H   3.41 0.02 2 
      489 216 48 GLY C    C 171.73 0.3  1 
      490 216 48 GLY CA   C  42.80 0.3  1 
      491 216 48 GLY N    N 107.55 0.3  1 
      492 217 49 HIS H    H   8.50 0.02 1 
      493 217 49 HIS HA   H   4.61 0.02 1 
      494 217 49 HIS HB2  H   3.21 0.02 2 
      495 217 49 HIS HB3  H   3.08 0.02 2 
      496 217 49 HIS HD1  H   7.69 0.02 1 
      497 217 49 HIS HD2  H   7.14 0.02 1 
      498 217 49 HIS HE1  H   8.06 0.02 1 
      499 217 49 HIS C    C 171.24 0.3  1 
      500 217 49 HIS CA   C  53.44 0.3  1 
      501 217 49 HIS CB   C  26.73 0.3  1 
      502 217 49 HIS CD2  C 117.54 0.3  1 
      503 217 49 HIS CE1  C 134.25 0.3  1 
      504 217 49 HIS N    N 123.11 0.3  1 
      505 218 50 GLU H    H   8.60 0.02 1 
      506 218 50 GLU HA   H   5.68 0.02 1 
      507 218 50 GLU HB2  H   1.83 0.02 2 
      508 218 50 GLU HB3  H   1.72 0.02 2 
      509 218 50 GLU C    C 173.37 0.3  1 
      510 218 50 GLU CA   C  51.36 0.3  1 
      511 218 50 GLU CB   C  32.01 0.3  1 
      512 218 50 GLU CG   C  33.54 0.3  1 
      513 218 50 GLU N    N 120.37 0.3  1 
      514 219 51 GLY H    H   8.49 0.02 1 
      515 219 51 GLY HA2  H   3.79 0.02 2 
      516 219 51 GLY HA3  H   3.65 0.02 2 
      517 219 51 GLY C    C 168.05 0.3  1 
      518 219 51 GLY CA   C  42.53 0.3  1 
      519 219 51 GLY N    N 106.33 0.3  1 
      520 220 52 TYR H    H   8.78 0.02 1 
      521 220 52 TYR HA   H   5.22 0.02 1 
      522 220 52 TYR HB2  H   2.81 0.02 2 
      523 220 52 TYR HB3  H   2.47 0.02 2 
      524 220 52 TYR C    C 172.70 0.3  1 
      525 220 52 TYR CA   C  56.49 0.3  1 
      526 220 52 TYR CB   C  38.49 0.3  1 
      527 220 52 TYR N    N 118.11 0.3  1 
      528 221 53 ALA H    H   9.35 0.02 1 
      529 221 53 ALA HA   H   4.75 0.02 1 
      530 221 53 ALA HB   H   1.08 0.02 1 
      531 221 53 ALA CA   C  47.01 0.3  1 
      532 221 53 ALA CB   C  18.81 0.3  1 
      533 221 53 ALA N    N 122.25 0.3  1 
      534 222 54 PRO HA   H   3.46 0.02 1 
      535 222 54 PRO HB2  H   1.08 0.02 2 
      536 222 54 PRO HB3  H   1.01 0.02 2 
      537 222 54 PRO HD2  H   2.38 0.02 2 
      538 222 54 PRO HD3  H   2.04 0.02 2 
      539 222 54 PRO HG2  H   0.32 0.02 2 
      540 222 54 PRO HG3  H   0.27 0.02 2 
      541 222 54 PRO C    C 175.42 0.3  1 
      542 222 54 PRO CA   C  59.05 0.3  1 
      543 222 54 PRO CB   C  28.11 0.3  1 
      544 222 54 PRO CD   C  47.17 0.3  1 
      545 222 54 PRO CG   C  24.42 0.3  1 
      546 223 55 SER H    H   7.56 0.02 1 
      547 223 55 SER HA   H   2.62 0.02 1 
      548 223 55 SER HB2  H   1.80 0.02 2 
      549 223 55 SER HB3  H   1.61 0.02 2 
      550 223 55 SER C    C 173.93 0.3  1 
      551 223 55 SER CA   C  57.60 0.3  1 
      552 223 55 SER CB   C  57.45 0.3  1 
      553 223 55 SER N    N 121.75 0.3  1 
      554 224 56 SER H    H   8.02 0.02 1 
      555 224 56 SER HA   H   3.97 0.02 1 
      556 224 56 SER HB2  H   3.75 0.02 2 
      557 224 56 SER HB3  H   3.89 0.02 2 
      558 224 56 SER C    C 172.38 0.3  1 
      559 224 56 SER CA   C  57.35 0.3  1 
      560 224 56 SER CB   C  60.19 0.3  1 
      561 224 56 SER N    N 115.18 0.3  1 
      562 225 57 TYR H    H   7.45 0.02 1 
      563 225 57 TYR HA   H   4.43 0.02 1 
      564 225 57 TYR HB2  H   3.11 0.02 2 
      565 225 57 TYR HB3  H   2.84 0.02 2 
      566 225 57 TYR C    C 171.47 0.3  1 
      567 225 57 TYR CA   C  55.18 0.3  1 
      568 225 57 TYR CB   C  35.61 0.3  1 
      569 225 57 TYR N    N 121.76 0.3  1 
      570 226 58 LEU H    H   7.29 0.02 1 
      571 226 58 LEU HA   H   5.23 0.02 1 
      572 226 58 LEU HB2  H   1.58 0.02 2 
      573 226 58 LEU HB3  H   1.04 0.02 2 
      574 226 58 LEU HD1  H   0.63 0.02 1 
      575 226 58 LEU HD2  H   0.56 0.02 1 
      576 226 58 LEU HG   H   1.27 0.02 1 
      577 226 58 LEU C    C 172.40 0.3  1 
      578 226 58 LEU CA   C  51.15 0.3  1 
      579 226 58 LEU CB   C  44.74 0.3  1 
      580 226 58 LEU CD1  C  25.09 0.3  1 
      581 226 58 LEU CD2  C  20.46 0.3  1 
      582 226 58 LEU CG   C  23.31 0.3  1 
      583 226 58 LEU N    N 120.93 0.3  1 
      584 227 59 VAL H    H   8.48 0.02 1 
      585 227 59 VAL HA   H   4.59 0.02 1 
      586 227 59 VAL HB   H   1.92 0.02 1 
      587 227 59 VAL HG1  H   0.91 0.02 1 
      588 227 59 VAL HG2  H   0.80 0.02 1 
      589 227 59 VAL C    C 171.70 0.3  1 
      590 227 59 VAL CA   C  56.85 0.3  1 
      591 227 59 VAL CB   C  33.19 0.3  1 
      592 227 59 VAL CG1  C  18.02 0.3  1 
      593 227 59 VAL CG2  C  18.26 0.3  1 
      594 227 59 VAL N    N 115.55 0.3  1 
      595 228 60 GLU H    H   8.92 0.02 1 
      596 228 60 GLU HA   H   4.30 0.02 1 
      597 228 60 GLU HG2  H   2.19 0.02 2 
      598 228 60 GLU HG3  H   2.08 0.02 2 
      599 228 60 GLU C    C 173.57 0.3  1 
      600 228 60 GLU CA   C  55.28 0.3  1 
      601 228 60 GLU CB   C  27.61 0.3  1 
      602 228 60 GLU CG   C  34.37 0.3  1 
      603 228 60 GLU N    N 124.86 0.3  1 
      604 229 61 LYS H    H   8.30 0.02 1 
      605 229 61 LYS HA   H   4.08 0.02 1 
      606 229 61 LYS HB2  H   1.67 0.02 2 
      607 229 61 LYS HB3  H   1.26 0.02 2 
      608 229 61 LYS HD2  H   1.46 0.02 2 
      609 229 61 LYS HD3  H   1.43 0.02 2 
      610 229 61 LYS HE2  H   2.81 0.02 2 
      611 229 61 LYS HE3  H   2.78 0.02 2 
      612 229 61 LYS C    C 173.43 0.3  1 
      613 229 61 LYS CA   C  54.22 0.3  1 
      614 229 61 LYS CB   C  31.39 0.3  1 
      615 229 61 LYS CD   C  27.44 0.3  1 
      616 229 61 LYS CE   C  39.59 0.3  1 
      617 229 61 LYS CG   C  22.66 0.3  1 
      618 229 61 LYS N    N 125.78 0.3  1 
      619 230 62 SER H    H   8.55 0.02 1 
      620 230 62 SER HA   H   4.67 0.02 1 
      621 230 62 SER HB2  H   3.79 0.02 2 
      622 230 62 SER HB3  H   3.72 0.02 2 
      623 230 62 SER CA   C  53.68 0.3  1 
      624 230 62 SER CB   C  60.67 0.3  1 
      625 230 62 SER N    N 121.10 0.3  1 
      626 231 63 PRO HA   H   4.35 0.02 1 
      627 231 63 PRO HB2  H   2.14 0.02 2 
      628 231 63 PRO HB3  H   1.89 0.02 2 
      629 231 63 PRO HD2  H   3.63 0.02 2 
      630 231 63 PRO HD3  H   3.59 0.02 2 
      631 231 63 PRO C    C 173.22 0.3  1 
      632 231 63 PRO CA   C  60.82 0.3  1 
      633 231 63 PRO CB   C  29.42 0.3  1 
      634 231 63 PRO CD   C  48.10 0.3  1 
      635 231 63 PRO CG   C  24.53 0.3  1 

   stop_

save_


save_assigned_chem_shift_list_SH2_77%_bound_2
   _Saveframe_category               assigned_chemical_shifts

   _Details                         
;
SH2 domain at 35% bound               
1.5mM 15N 13C               
3.4mM 14N 12C
;

   loop_
      _Software_label

      $CARA 

   stop_

   loop_
      _Experiment_label

      '2D 1H-15N HSQC'  
      '2D 1H-13C HSQC'  
      '3D HNCO'         
      '3D 1H-15N TOCSY' 
       (HB)CB(CGCD)HD   
       (HB)CB(CGCDCE)HE 
      '3D HBHA(CO)NH'   
      '3D HCCH-TOCSY'   

   stop_

   loop_
      _Sample_label

      $SH2_77%_bound 
      $SH3_77%_bound 

   stop_

   _Sample_conditions_label         $isotropic_conditions_1
   _Chem_shift_reference_set_label  $chemical_shift_reference_1
   _Mol_system_component_name        Itk_SH2_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

         1 232   1 ASN HA   H   4.60 0.02 1 
         2 232   1 ASN HB2  H   2.69 0.02 2 
         3 232   1 ASN HB3  H   2.65 0.02 2 
         4 232   1 ASN HD21 H   7.61 0.02 1 
         5 232   1 ASN HD22 H   6.60 0.02 1 
         6 232   1 ASN CA   C  50.51 0.3  1 
         7 232   1 ASN CB   C  36.32 0.3  1 
         8 232   1 ASN ND2  N 112.39 0.3  1 
         9 233   2 ASN HA   H   4.57 0.02 1 
        10 233   2 ASN HB2  H   2.80 0.02 2 
        11 233   2 ASN HB3  H   2.74 0.02 2 
        12 233   2 ASN HD21 H   6.85 0.02 1 
        13 233   2 ASN HD22 H   7.52 0.02 1 
        14 233   2 ASN CA   C  50.83 0.3  1 
        15 233   2 ASN CB   C  35.61 0.3  1 
        16 233   2 ASN ND2  N 111.79 0.3  1 
        17 234   3 LEU H    H   8.32 0.02 1 
        18 234   3 LEU HA   H   3.90 0.02 1 
        19 234   3 LEU HB2  H   0.64 0.02 2 
        20 234   3 LEU HB3  H   0.59 0.02 2 
        21 234   3 LEU HD1  H  -0.19 0.02 1 
        22 234   3 LEU HD2  H   0.24 0.02 1 
        23 234   3 LEU HG   H   1.08 0.02 1 
        24 234   3 LEU CA   C  53.89 0.3  1 
        25 234   3 LEU CB   C  37.74 0.3  1 
        26 234   3 LEU CD1  C  22.15 0.3  1 
        27 234   3 LEU CD2  C  19.79 0.3  1 
        28 234   3 LEU CG   C  23.61 0.3  1 
        29 234   3 LEU N    N 122.07 0.3  1 
        30 235   4 GLU H    H   8.09 0.02 1 
        31 235   4 GLU HA   H   4.12 0.02 1 
        32 235   4 GLU HB2  H   2.04 0.02 2 
        33 235   4 GLU HB3  H   1.93 0.02 2 
        34 235   4 GLU CA   C  56.41 0.3  1 
        35 235   4 GLU CB   C  26.56 0.3  1 
        36 235   4 GLU CG   C  34.92 0.3  1 
        37 235   4 GLU N    N 113.76 0.3  1 
        38 236   5 THR H    H   7.36 0.02 1 
        39 236   5 THR HA   H   3.88 0.02 1 
        40 236   5 THR HB   H   3.83 0.02 1 
        41 236   5 THR HG2  H   0.81 0.02 1 
        42 236   5 THR CA   C  59.94 0.3  1 
        43 236   5 THR CB   C  66.58 0.3  1 
        44 236   5 THR CG2  C  18.79 0.3  1 
        45 236   5 THR N    N 108.79 0.3  1 
        46 237   6 TYR H    H   7.40 0.02 1 
        47 237   6 TYR HA   H   3.97 0.02 1 
        48 237   6 TYR HB2  H   1.26 0.02 2 
        49 237   6 TYR HB3  H   0.53 0.02 2 
        50 237   6 TYR HD1  H   6.72 0.02 3 
        51 237   6 TYR HD2  H   6.75 0.02 3 
        52 237   6 TYR HE1  H   6.63 0.02 3 
        53 237   6 TYR HE2  H   6.57 0.02 3 
        54 237   6 TYR CA   C  55.58 0.3  1 
        55 237   6 TYR CB   C  35.03 0.3  1 
        56 237   6 TYR CD1  C 127.29 0.3  1 
        57 237   6 TYR N    N 120.72 0.3  1 
        58 238   7 GLU H    H   9.04 0.02 1 
        59 238   7 GLU HA   H   3.86 0.02 1 
        60 238   7 GLU HB2  H   1.90 0.02 2 
        61 238   7 GLU HB3  H   1.79 0.02 2 
        62 238   7 GLU CA   C  55.77 0.3  1 
        63 238   7 GLU CB   C  26.89 0.3  1 
        64 238   7 GLU CG   C  33.34 0.3  1 
        65 238   7 GLU N    N 122.65 0.3  1 
        66 239   8 TRP H    H   6.04 0.02 1 
        67 239   8 TRP HA   H   4.19 0.02 1 
        68 239   8 TRP HB2  H   3.34 0.02 2 
        69 239   8 TRP HB3  H   2.51 0.02 2 
        70 239   8 TRP HD1  H   6.37 0.02 1 
        71 239   8 TRP HE1  H  10.80 0.02 1 
        72 239   8 TRP HE3  H   7.13 0.02 1 
        73 239   8 TRP HH2  H   6.94 0.02 1 
        74 239   8 TRP HZ2  H   6.40 0.02 1 
        75 239   8 TRP HZ3  H   5.98 0.02 1 
        76 239   8 TRP CA   C  50.52 0.3  1 
        77 239   8 TRP CB   C  27.06 0.3  1 
        78 239   8 TRP CD1  C 114.38 0.3  1 
        79 239   8 TRP CE3  C 126.42 0.3  1 
        80 239   8 TRP CH2  C 125.89 0.3  1 
        81 239   8 TRP CZ2  C 109.79 0.3  1 
        82 239   8 TRP CZ3  C 117.79 0.3  1 
        83 239   8 TRP N    N 107.76 0.3  1 
        84 239   8 TRP NE1  N 133.37 0.3  1 
        85 240   9 TYR H    H   7.32 0.02 1 
        86 240   9 TYR HA   H   5.41 0.02 1 
        87 240   9 TYR HB2  H   2.57 0.02 2 
        88 240   9 TYR HB3  H   2.77 0.02 2 
        89 240   9 TYR HD1  H   6.72 0.02 3 
        90 240   9 TYR HD2  H   6.75 0.02 3 
        91 240   9 TYR HE1  H   6.72 0.02 3 
        92 240   9 TYR HE2  H   6.70 0.02 3 
        93 240   9 TYR CA   C  54.01 0.3  1 
        94 240   9 TYR CB   C  35.21 0.3  1 
        95 240   9 TYR CD1  C 127.45 0.3  1 
        96 240   9 TYR N    N 122.43 0.3  1 
        97 241  10 ASN H    H   8.61 0.02 1 
        98 241  10 ASN HA   H   4.60 0.02 1 
        99 241  10 ASN HB2  H   2.48 0.02 2 
       100 241  10 ASN HB3  H   2.34 0.02 2 
       101 241  10 ASN HD21 H   6.57 0.02 1 
       102 241  10 ASN HD22 H   7.90 0.02 1 
       103 241  10 ASN CA   C  48.88 0.3  1 
       104 241  10 ASN CB   C  38.97 0.3  1 
       105 241  10 ASN N    N 128.15 0.3  1 
       106 241  10 ASN ND2  N 113.84 0.3  1 
       107 242  11 LYS H    H   7.40 0.02 1 
       108 242  11 LYS HA   H   3.71 0.02 1 
       109 242  11 LYS HG2  H   1.37 0.02 2 
       110 242  11 LYS HG3  H   1.33 0.02 2 
       111 242  11 LYS CA   C  54.66 0.3  1 
       112 242  11 LYS CB   C  30.28 0.3  1 
       113 242  11 LYS CD   C  27.09 0.3  1 
       114 242  11 LYS CE   C  39.61 0.3  1 
       115 242  11 LYS CG   C  21.84 0.3  1 
       116 242  11 LYS N    N 121.78 0.3  1 
       117 243  12 SER H    H   8.29 0.02 1 
       118 243  12 SER HA   H   4.17 0.02 1 
       119 243  12 SER HB2  H   3.85 0.02 2 
       120 243  12 SER HB3  H   3.81 0.02 2 
       121 243  12 SER CA   C  56.59 0.3  1 
       122 243  12 SER CB   C  59.83 0.3  1 
       123 243  12 SER N    N 115.14 0.3  1 
       124 244  13 ILE H    H   7.45 0.02 1 
       125 244  13 ILE HA   H   4.29 0.02 1 
       126 244  13 ILE HB   H   1.60 0.02 1 
       127 244  13 ILE HG12 H   1.32 0.02 2 
       128 244  13 ILE HG13 H   1.17 0.02 2 
       129 244  13 ILE HG2  H   0.76 0.02 1 
       130 244  13 ILE CA   C  57.87 0.3  1 
       131 244  13 ILE CB   C  37.17 0.3  1 
       132 244  13 ILE CD1  C  11.38 0.3  1 
       133 244  13 ILE CG1  C  25.27 0.3  1 
       134 244  13 ILE CG2  C  14.91 0.3  1 
       135 244  13 ILE N    N 120.01 0.3  1 
       136 245  14 SER H    H   8.06 0.02 1 
       137 245  14 SER HA   H   4.40 0.02 1 
       138 245  14 SER HB2  H   4.21 0.02 2 
       139 245  14 SER HB3  H   3.94 0.02 2 
       140 245  14 SER CA   C  54.58 0.3  1 
       141 245  14 SER CB   C  62.90 0.3  1 
       142 245  14 SER N    N 121.64 0.3  1 
       143 246  15 ARG H    H   8.92 0.02 1 
       144 246  15 ARG HA   H   3.43 0.02 1 
       145 246  15 ARG HB2  H   1.56 0.02 2 
       146 246  15 ARG HB3  H   1.78 0.02 2 
       147 246  15 ARG HG2  H   1.15 0.02 2 
       148 246  15 ARG HG3  H   0.65 0.02 2 
       149 246  15 ARG CA   C  58.05 0.3  1 
       150 246  15 ARG CB   C  27.83 0.3  1 
       151 246  15 ARG CD   C  40.61 0.3  1 
       152 246  15 ARG CG   C  24.80 0.3  1 
       153 246  15 ARG N    N 122.06 0.3  1 
       154 247  16 ASP H    H   8.35 0.02 1 
       155 247  16 ASP HA   H   4.17 0.02 1 
       156 247  16 ASP HB2  H   2.44 0.02 2 
       157 247  16 ASP HB3  H   2.47 0.02 2 
       158 247  16 ASP CA   C  54.61 0.3  1 
       159 247  16 ASP CB   C  37.92 0.3  1 
       160 247  16 ASP N    N 115.45 0.3  1 
       161 248  17 LYS H    H   7.55 0.02 1 
       162 248  17 LYS HA   H   3.92 0.02 1 
       163 248  17 LYS HD2  H   1.63 0.02 2 
       164 248  17 LYS HD3  H   1.58 0.02 2 
       165 248  17 LYS CA   C  55.92 0.3  1 
       166 248  17 LYS CB   C  29.45 0.3  1 
       167 248  17 LYS CD   C  26.21 0.3  1 
       168 248  17 LYS CE   C  39.53 0.3  1 
       169 248  17 LYS CG   C  22.79 0.3  1 
       170 248  17 LYS N    N 121.07 0.3  1 
       171 249  18 ALA H    H   8.53 0.02 1 
       172 249  18 ALA HA   H   3.73 0.02 1 
       173 249  18 ALA HB   H   1.42 0.02 1 
       174 249  18 ALA CA   C  52.97 0.3  1 
       175 249  18 ALA CB   C  16.78 0.3  1 
       176 249  18 ALA N    N 121.99 0.3  1 
       177 250  19 GLU H    H   8.25 0.02 1 
       178 250  19 GLU HA   H   3.70 0.02 1 
       179 250  19 GLU HB2  H   2.19 0.02 2 
       180 250  19 GLU HB3  H   1.93 0.02 2 
       181 250  19 GLU HG2  H   2.93 0.02 2 
       182 250  19 GLU HG3  H   1.95 0.02 2 
       183 250  19 GLU CA   C  58.32 0.3  1 
       184 250  19 GLU CB   C  26.21 0.3  1 
       185 250  19 GLU CG   C  34.87 0.3  1 
       186 250  19 GLU N    N 114.11 0.3  1 
       187 251  20 LYS H    H   7.45 0.02 1 
       188 251  20 LYS HA   H   3.82 0.02 1 
       189 251  20 LYS HB2  H   1.81 0.02 2 
       190 251  20 LYS HB3  H   1.76 0.02 2 
       191 251  20 LYS HD2  H   1.57 0.02 2 
       192 251  20 LYS HD3  H   1.48 0.02 2 
       193 251  20 LYS HE2  H   2.87 0.02 2 
       194 251  20 LYS HE3  H   2.84 0.02 2 
       195 251  20 LYS HG2  H   1.39 0.02 2 
       196 251  20 LYS HG3  H   1.32 0.02 2 
       197 251  20 LYS CA   C  56.95 0.3  1 
       198 251  20 LYS CB   C  29.46 0.3  1 
       199 251  20 LYS CD   C  26.06 0.3  1 
       200 251  20 LYS CE   C  39.69 0.3  1 
       201 251  20 LYS CG   C  22.45 0.3  1 
       202 251  20 LYS N    N 118.15 0.3  1 
       203 252  21 LEU H    H   8.03 0.02 1 
       204 252  21 LEU HA   H   3.93 0.02 1 
       205 252  21 LEU HB2  H   1.65 0.02 2 
       206 252  21 LEU HB3  H   1.12 0.02 2 
       207 252  21 LEU HD1  H   0.66 0.02 1 
       208 252  21 LEU HD2  H   0.64 0.02 1 
       209 252  21 LEU HG   H   1.60 0.02 1 
       210 252  21 LEU CA   C  55.13 0.3  1 
       211 252  21 LEU CB   C  39.77 0.3  1 
       212 252  21 LEU CD1  C  20.87 0.3  1 
       213 252  21 LEU CD2  C  22.99 0.3  1 
       214 252  21 LEU CG   C  24.44 0.3  1 
       215 252  21 LEU N    N 117.68 0.3  1 
       216 253  22 LEU H    H   8.06 0.02 1 
       217 253  22 LEU HA   H   3.86 0.02 1 
       218 253  22 LEU HB2  H   1.99 0.02 2 
       219 253  22 LEU HB3  H   1.19 0.02 2 
       220 253  22 LEU HD1  H   0.58 0.02 1 
       221 253  22 LEU HD2  H   0.63 0.02 1 
       222 253  22 LEU HG   H   1.79 0.02 1 
       223 253  22 LEU CA   C  55.48 0.3  1 
       224 253  22 LEU CB   C  40.01 0.3  1 
       225 253  22 LEU CD1  C  20.33 0.3  1 
       226 253  22 LEU CD2  C  24.25 0.3  1 
       227 253  22 LEU CG   C  24.25 0.3  1 
       228 253  22 LEU N    N 118.71 0.3  1 
       229 254  23 LEU H    H   8.87 0.02 1 
       230 254  23 LEU HA   H   3.87 0.02 1 
       231 254  23 LEU HB2  H   1.82 0.02 2 
       232 254  23 LEU HB3  H   1.39 0.02 2 
       233 254  23 LEU HD1  H   0.63 0.02 1 
       234 254  23 LEU HD2  H   0.74 0.02 1 
       235 254  23 LEU HG   H   1.65 0.02 1 
       236 254  23 LEU CA   C  55.68 0.3  1 
       237 254  23 LEU CB   C  39.04 0.3  1 
       238 254  23 LEU CD1  C  20.22 0.3  1 
       239 254  23 LEU CD2  C  20.84 0.3  1 
       240 254  23 LEU CG   C  24.25 0.3  1 
       241 254  23 LEU N    N 122.23 0.3  1 
       242 255  24 ASP H    H   8.11 0.02 1 
       243 255  24 ASP HA   H   4.17 0.02 1 
       244 255  24 ASP HB2  H   2.63 0.02 2 
       245 255  24 ASP HB3  H   2.44 0.02 2 
       246 255  24 ASP CA   C  53.91 0.3  1 
       247 255  24 ASP CB   C  37.71 0.3  1 
       248 255  24 ASP N    N 117.47 0.3  1 
       249 256  25 THR H    H   7.24 0.02 1 
       250 256  25 THR HA   H   3.77 0.02 1 
       251 256  25 THR HB   H   3.88 0.02 1 
       252 256  25 THR HG2  H   1.06 0.02 1 
       253 256  25 THR CA   C  63.07 0.3  1 
       254 256  25 THR CB   C  65.96 0.3  1 
       255 256  25 THR CG2  C  18.48 0.3  1 
       256 256  25 THR N    N 112.88 0.3  1 
       257 257  26 GLY H    H   7.01 0.02 1 
       258 257  26 GLY HA2  H   3.39 0.02 2 
       259 257  26 GLY HA3  H   2.86 0.02 2 
       260 257  26 GLY CA   C  44.44 0.3  1 
       261 257  26 GLY N    N 105.35 0.3  1 
       262 258  27 LYS H    H   6.08 0.02 1 
       263 258  27 LYS HA   H   4.23 0.02 1 
       264 258  27 LYS HB2  H   0.89 0.02 2 
       265 258  27 LYS HB3  H   1.31 0.02 2 
       266 258  27 LYS HE2  H   2.34 0.02 2 
       267 258  27 LYS HE3  H   2.31 0.02 2 
       268 258  27 LYS CA   C  51.55 0.3  1 
       269 258  27 LYS CB   C  32.52 0.3  1 
       270 258  27 LYS CD   C  26.08 0.3  1 
       271 258  27 LYS CE   C  39.05 0.3  1 
       272 258  27 LYS CG   C  21.42 0.3  1 
       273 258  27 LYS N    N 117.19 0.3  1 
       274 259  28 GLU H    H   8.66 0.02 1 
       275 259  28 GLU HA   H   3.87 0.02 1 
       276 259  28 GLU CA   C  55.30 0.3  1 
       277 259  28 GLU CB   C  27.42 0.3  1 
       278 259  28 GLU CG   C  32.73 0.3  1 
       279 259  28 GLU N    N 124.82 0.3  1 
       280 260  29 GLY H    H   8.91 0.02 1 
       281 260  29 GLY HA2  H   4.33 0.02 2 
       282 260  29 GLY HA3  H   3.75 0.02 2 
       283 260  29 GLY CA   C  44.37 0.3  1 
       284 260  29 GLY N    N 114.02 0.3  1 
       285 261  30 ALA H    H   8.51 0.02 1 
       286 261  30 ALA HA   H   5.60 0.02 1 
       287 261  30 ALA HB   H   1.40 0.02 1 
       288 261  30 ALA CA   C  49.60 0.3  1 
       289 261  30 ALA CB   C  16.02 0.3  1 
       290 261  30 ALA N    N 125.86 0.3  1 
       291 262  31 PHE H    H   8.86 0.02 1 
       292 262  31 PHE HA   H   5.97 0.02 1 
       293 262  31 PHE HB2  H   2.77 0.02 2 
       294 262  31 PHE HB3  H   2.88 0.02 2 
       295 262  31 PHE HD1  H   7.34 0.02 3 
       296 262  31 PHE HD2  H   6.48 0.02 3 
       297 262  31 PHE HE1  H   6.54 0.02 3 
       298 262  31 PHE HE2  H   6.53 0.02 3 
       299 262  31 PHE CA   C  53.36 0.3  1 
       300 262  31 PHE CB   C  42.05 0.3  1 
       301 262  31 PHE N    N 120.07 0.3  1 
       302 263  32 MET H    H   8.67 0.02 1 
       303 263  32 MET HA   H   4.73 0.02 1 
       304 263  32 MET HB2  H   2.50 0.02 2 
       305 263  32 MET HB3  H   2.05 0.02 2 
       306 263  32 MET HE   H   1.80 0.02 1 
       307 263  32 MET HG2  H   2.34 0.02 2 
       308 263  32 MET HG3  H   2.03 0.02 2 
       309 263  32 MET CA   C  52.10 0.3  1 
       310 263  32 MET CB   C  34.52 0.3  1 
       311 263  32 MET CE   C  13.89 0.3  1 
       312 263  32 MET CG   C  26.95 0.3  1 
       313 263  32 MET N    N 111.21 0.3  1 
       314 264  33 VAL H    H   9.28 0.02 1 
       315 264  33 VAL HA   H   5.22 0.02 1 
       316 264  33 VAL HB   H   2.22 0.02 1 
       317 264  33 VAL HG1  H   1.00 0.02 1 
       318 264  33 VAL HG2  H   0.78 0.02 1 
       319 264  33 VAL CA   C  58.92 0.3  1 
       320 264  33 VAL CB   C  31.07 0.3  1 
       321 264  33 VAL CG1  C  19.65 0.3  1 
       322 264  33 VAL CG2  C  21.91 0.3  1 
       323 264  33 VAL N    N 120.29 0.3  1 
       324 265  34 ARG H    H   9.48 0.02 1 
       325 265  34 ARG HA   H   5.31 0.02 1 
       326 265  34 ARG HB2  H   2.10 0.02 2 
       327 265  34 ARG HB3  H   1.37 0.02 2 
       328 265  34 ARG HD2  H   2.99 0.02 2 
       329 265  34 ARG HD3  H   2.57 0.02 2 
       330 265  34 ARG HE   H   7.28 0.02 1 
       331 265  34 ARG CA   C  50.41 0.3  1 
       332 265  34 ARG CB   C  31.15 0.3  1 
       333 265  34 ARG CD   C  41.33 0.3  1 
       334 265  34 ARG CG   C  23.67 0.3  1 
       335 265  34 ARG N    N 124.14 0.3  1 
       336 265  34 ARG NE   N 118.52 0.3  1 
       337 266  35 ASP H    H   8.92 0.02 1 
       338 266  35 ASP HA   H   4.74 0.02 1 
       339 266  35 ASP HB2  H   2.77 0.02 2 
       340 266  35 ASP HB3  H   2.58 0.02 2 
       341 266  35 ASP CA   C  52.95 0.3  1 
       342 266  35 ASP CB   C  38.07 0.3  1 
       343 266  35 ASP N    N 122.28 0.3  1 
       344 267  36 SER H    H   8.06 0.02 1 
       345 267  36 SER HA   H   4.57 0.02 1 
       346 267  36 SER CA   C  53.70 0.3  1 
       347 267  36 SER CB   C  60.58 0.3  1 
       348 267  36 SER N    N 118.01 0.3  1 
       349 268  37 ARG H    H   8.88 0.02 1 
       350 268  37 ARG HA   H   3.92 0.02 1 
       351 268  37 ARG CA   C  56.09 0.3  1 
       352 268  37 ARG CB   C  27.50 0.3  1 
       353 268  37 ARG CD   C  40.70 0.3  1 
       354 268  37 ARG CG   C  24.41 0.3  1 
       355 268  37 ARG N    N 123.10 0.3  1 
       356 269  38 THR H    H   8.02 0.02 1 
       357 269  38 THR HA   H   4.34 0.02 1 
       358 269  38 THR HB   H   3.83 0.02 1 
       359 269  38 THR HG2  H   1.05 0.02 1 
       360 269  38 THR CA   C  57.69 0.3  1 
       361 269  38 THR CB   C  66.36 0.3  1 
       362 269  38 THR CG2  C  18.65 0.3  1 
       363 269  38 THR N    N 118.13 0.3  1 
       364 270  39 PRO HA   H   4.29 0.02 1 
       365 270  39 PRO HB2  H   2.13 0.02 2 
       366 270  39 PRO HB3  H   1.81 0.02 2 
       367 270  39 PRO HD2  H   3.58 0.02 2 
       368 270  39 PRO HD3  H   3.54 0.02 2 
       369 270  39 PRO HG2  H   1.95 0.02 2 
       370 270  39 PRO HG3  H   1.87 0.02 2 
       371 270  39 PRO CA   C  60.92 0.3  1 
       372 270  39 PRO CB   C  29.50 0.3  1 
       373 270  39 PRO CD   C  47.97 0.3  1 
       374 270  39 PRO CG   C  24.61 0.3  1 
       375 271  40 GLY H    H   8.46 0.02 1 
       376 271  40 GLY HA2  H   4.04 0.02 2 
       377 271  40 GLY HA3  H   3.53 0.02 2 
       378 271  40 GLY CA   C  42.65 0.3  1 
       379 271  40 GLY N    N 111.13 0.3  1 
       380 272  41 THR H    H   7.32 0.02 1 
       381 272  41 THR HA   H   4.62 0.02 1 
       382 272  41 THR HB   H   4.22 0.02 1 
       383 272  41 THR HG2  H   0.95 0.02 1 
       384 272  41 THR CA   C  57.68 0.3  1 
       385 272  41 THR CB   C  69.40 0.3  1 
       386 272  41 THR CG2  C  18.93 0.3  1 
       387 272  41 THR N    N 110.85 0.3  1 
       388 273  42 TYR H    H   9.56 0.02 1 
       389 273  42 TYR HA   H   5.26 0.02 1 
       390 273  42 TYR HB2  H   2.98 0.02 2 
       391 273  42 TYR HB3  H   2.50 0.02 2 
       392 273  42 TYR HD1  H   6.96 0.02 3 
       393 273  42 TYR HD2  H   6.93 0.02 3 
       394 273  42 TYR HE1  H   6.68 0.02 1 
       395 273  42 TYR CA   C  55.74 0.3  1 
       396 273  42 TYR CB   C  40.56 0.3  1 
       397 273  42 TYR CD1  C 127.20 0.3  1 
       398 273  42 TYR CE1  C 112.66 0.3  1 
       399 273  42 TYR N    N 122.23 0.3  1 
       400 274  43 THR H    H   9.24 0.02 1 
       401 274  43 THR HA   H   4.95 0.02 1 
       402 274  43 THR HB   H   3.51 0.02 1 
       403 274  43 THR HG2  H   1.07 0.02 1 
       404 274  43 THR CA   C  59.11 0.3  1 
       405 274  43 THR CB   C  70.39 0.3  1 
       406 274  43 THR CG2  C  20.85 0.3  1 
       407 274  43 THR N    N 118.15 0.3  1 
       408 275  44 VAL H    H   9.37 0.02 1 
       409 275  44 VAL HA   H   4.88 0.02 1 
       410 275  44 VAL HB   H   2.09 0.02 1 
       411 275  44 VAL CA   C  58.37 0.3  1 
       412 275  44 VAL CB   C  30.97 0.3  1 
       413 275  44 VAL CG1  C  19.50 0.3  1 
       414 275  44 VAL N    N 126.01 0.3  1 
       415 276  45 SER H    H   8.98 0.02 1 
       416 276  45 SER HA   H   5.50 0.02 1 
       417 276  45 SER HB2  H   3.51 0.02 2 
       418 276  45 SER HB3  H   3.26 0.02 2 
       419 276  45 SER CA   C  55.84 0.3  1 
       420 276  45 SER CB   C  63.08 0.3  1 
       421 276  45 SER N    N 125.91 0.3  1 
       422 277  46 VAL H    H   8.96 0.02 1 
       423 277  46 VAL HA   H   5.38 0.02 1 
       424 277  46 VAL HB   H   1.67 0.02 1 
       425 277  46 VAL HG1  H   0.80 0.02 1 
       426 277  46 VAL HG2  H   0.78 0.02 1 
       427 277  46 VAL CA   C  56.36 0.3  1 
       428 277  46 VAL CB   C  33.74 0.3  1 
       429 277  46 VAL CG1  C  19.78 0.3  1 
       430 277  46 VAL CG2  C  16.89 0.3  1 
       431 277  46 VAL N    N 122.03 0.3  1 
       432 278  47 PHE H    H   8.88 0.02 1 
       433 278  47 PHE HA   H   4.97 0.02 1 
       434 278  47 PHE HB2  H   3.25 0.02 2 
       435 278  47 PHE HB3  H   2.53 0.02 2 
       436 278  47 PHE HD1  H   6.91 0.02 1 
       437 278  47 PHE HE1  H   7.02 0.02 1 
       438 278  47 PHE HZ   H   7.23 0.02 1 
       439 278  47 PHE CA   C  54.58 0.3  1 
       440 278  47 PHE CB   C  39.49 0.3  1 
       441 278  47 PHE N    N 128.45 0.3  1 
       442 279  48 THR H    H   8.42 0.02 1 
       443 279  48 THR HA   H   4.76 0.02 1 
       444 279  48 THR HB   H   3.82 0.02 1 
       445 279  48 THR HG2  H   0.86 0.02 1 
       446 279  48 THR CA   C  57.17 0.3  1 
       447 279  48 THR CB   C  68.58 0.3  1 
       448 279  48 THR CG2  C  16.41 0.3  1 
       449 279  48 THR N    N 121.64 0.3  1 
       450 280  49 LYS H    H  10.55 0.02 1 
       451 280  49 LYS HA   H   4.46 0.02 1 
       452 280  49 LYS HB2  H   1.98 0.02 2 
       453 280  49 LYS HB3  H   1.38 0.02 2 
       454 280  49 LYS CA   C  53.64 0.3  1 
       455 280  49 LYS CB   C  29.78 0.3  1 
       456 280  49 LYS CD   C  26.84 0.3  1 
       457 280  49 LYS CE   C  39.34 0.3  1 
       458 280  49 LYS CG   C  22.79 0.3  1 
       459 280  49 LYS N    N 130.73 0.3  1 
       460 281  50 ALA H    H   9.11 0.02 1 
       461 281  50 ALA HA   H   3.59 0.02 1 
       462 281  50 ALA HB   H   1.05 0.02 1 
       463 281  50 ALA CA   C  50.66 0.3  1 
       464 281  50 ALA CB   C  16.94 0.3  1 
       465 281  50 ALA N    N 122.10 0.3  1 
       466 282  51 ILE H    H   8.94 0.02 1 
       467 282  51 ILE HA   H   3.86 0.02 1 
       468 282  51 ILE HB   H   1.87 0.02 1 
       469 282  51 ILE HD1  H   0.52 0.02 1 
       470 282  51 ILE HG12 H   1.07 0.02 2 
       471 282  51 ILE HG13 H   0.84 0.02 2 
       472 282  51 ILE HG2  H   0.65 0.02 1 
       473 282  51 ILE CA   C  57.29 0.3  1 
       474 282  51 ILE CB   C  33.25 0.3  1 
       475 282  51 ILE CD1  C   9.64 0.3  1 
       476 282  51 ILE CG1  C  23.82 0.3  1 
       477 282  51 ILE CG2  C  15.28 0.3  1 
       478 282  51 ILE N    N 121.66 0.3  1 
       479 283  52 ILE H    H   8.01 0.02 1 
       480 283  52 ILE HA   H   3.97 0.02 1 
       481 283  52 ILE HB   H   1.74 0.02 1 
       482 283  52 ILE HD1  H   0.75 0.02 1 
       483 283  52 ILE HG12 H   1.38 0.02 2 
       484 283  52 ILE HG13 H   1.15 0.02 2 
       485 283  52 ILE HG2  H   0.80 0.02 1 
       486 283  52 ILE CA   C  61.65 0.3  1 
       487 283  52 ILE CB   C  35.19 0.3  1 
       488 283  52 ILE CD1  C  10.24 0.3  1 
       489 283  52 ILE CG1  C  25.51 0.3  1 
       490 283  52 ILE CG2  C  14.61 0.3  1 
       491 283  52 ILE N    N 127.06 0.3  1 
       492 284  53 SER H    H   7.61 0.02 1 
       493 284  53 SER HA   H   4.18 0.02 1 
       494 284  53 SER HB2  H   3.81 0.02 2 
       495 284  53 SER HB3  H   3.70 0.02 2 
       496 284  53 SER CA   C  56.29 0.3  1 
       497 284  53 SER CB   C  60.71 0.3  1 
       498 284  53 SER N    N 111.91 0.3  1 
       499 285  54 GLU H    H   7.36 0.02 1 
       500 285  54 GLU HA   H   4.11 0.02 1 
       501 285  54 GLU HB2  H   1.54 0.02 2 
       502 285  54 GLU HB3  H   1.79 0.02 2 
       503 285  54 GLU CA   C  52.99 0.3  1 
       504 285  54 GLU CB   C  26.95 0.3  1 
       505 285  54 GLU CG   C  33.44 0.3  1 
       506 285  54 GLU N    N 124.91 0.3  1 
       507 286  55 ASN H    H   7.94 0.02 1 
       508 286  55 ASN HA   H   4.86 0.02 1 
       509 286  55 ASN HB2  H   2.72 0.02 2 
       510 286  55 ASN HB3  H   2.60 0.02 2 
       511 286  55 ASN HD21 H   7.07 0.02 1 
       512 286  55 ASN HD22 H   6.37 0.02 1 
       513 286  55 ASN CA   C  46.36 0.3  1 
       514 286  55 ASN CB   C  37.40 0.3  1 
       515 286  55 ASN N    N 120.98 0.3  1 
       516 286  55 ASN ND2  N 107.83 0.3  1 
       517 287  56 PRO HA   H   4.74 0.02 1 
       518 287  56 PRO HB2  H   1.86 0.02 2 
       519 287  56 PRO HB3  H   1.23 0.02 2 
       520 287  56 PRO HD2  H   3.39 0.02 2 
       521 287  56 PRO HD3  H   3.33 0.02 2 
       522 287  56 PRO CA   C  61.27 0.3  1 
       523 287  56 PRO CB   C  33.95 0.3  1 
       524 287  56 PRO CD   C  46.72 0.3  1 
       525 287  56 PRO CG   C  21.76 0.3  1 
       526 288  57 CYS H    H   8.18 0.02 1 
       527 288  57 CYS HA   H   4.45 0.02 1 
       528 288  57 CYS HB2  H   2.93 0.02 2 
       529 288  57 CYS HB3  H   2.61 0.02 2 
       530 288  57 CYS CA   C  54.21 0.3  1 
       531 288  57 CYS CB   C  27.48 0.3  1 
       532 288  57 CYS N    N 112.77 0.3  1 
       533 289  58 ILE H    H   8.17 0.02 1 
       534 289  58 ILE HA   H   4.77 0.02 1 
       535 289  58 ILE HB   H   1.69 0.02 1 
       536 289  58 ILE HD1  H   0.81 0.02 1 
       537 289  58 ILE HG12 H   1.45 0.02 2 
       538 289  58 ILE HG13 H   1.27 0.02 2 
       539 289  58 ILE HG2  H   0.23 0.02 1 
       540 289  58 ILE CA   C  55.02 0.3  1 
       541 289  58 ILE CB   C  34.16 0.3  1 
       542 289  58 ILE CD1  C  10.79 0.3  1 
       543 289  58 ILE CG1  C  25.51 0.3  1 
       544 289  58 ILE CG2  C  16.58 0.3  1 
       545 289  58 ILE N    N 121.11 0.3  1 
       546 290  59 LYS H    H   8.58 0.02 1 
       547 290  59 LYS HA   H   4.21 0.02 1 
       548 290  59 LYS HB2  H   1.32 0.02 2 
       549 290  59 LYS HB3  H   1.16 0.02 2 
       550 290  59 LYS CA   C  49.82 0.3  1 
       551 290  59 LYS CB   C  32.06 0.3  1 
       552 290  59 LYS CD   C  25.65 0.3  1 
       553 290  59 LYS CE   C  39.34 0.3  1 
       554 290  59 LYS CG   C  22.08 0.3  1 
       555 290  59 LYS N    N 125.30 0.3  1 
       556 291  60 HIS H    H   8.13 0.02 1 
       557 291  60 HIS HA   H   5.18 0.02 1 
       558 291  60 HIS HB2  H   2.65 0.02 2 
       559 291  60 HIS HB3  H   2.39 0.02 2 
       560 291  60 HIS HD2  H   6.92 0.02 1 
       561 291  60 HIS HE1  H   7.12 0.02 1 
       562 291  60 HIS CA   C  51.70 0.3  1 
       563 291  60 HIS CB   C  29.92 0.3  1 
       564 291  60 HIS CD2  C 115.32 0.3  1 
       565 291  60 HIS CE1  C 132.00 0.3  1 
       566 291  60 HIS N    N 120.77 0.3  1 
       567 292  61 TYR H    H   9.74 0.02 1 
       568 292  61 TYR HA   H   4.68 0.02 1 
       569 292  61 TYR HB2  H   2.82 0.02 2 
       570 292  61 TYR HB3  H   2.64 0.02 2 
       571 292  61 TYR HE1  H   6.52 0.02 3 
       572 292  61 TYR HE2  H   6.55 0.02 3 
       573 292  61 TYR CA   C  53.69 0.3  1 
       574 292  61 TYR CB   C  37.60 0.3  1 
       575 292  61 TYR CD1  C 127.93 0.3  1 
       576 292  61 TYR N    N 123.11 0.3  1 
       577 293  62 HIS H    H   9.02 0.02 1 
       578 293  62 HIS HA   H   4.74 0.02 1 
       579 293  62 HIS HD2  H   7.17 0.02 1 
       580 293  62 HIS HE1  H   7.89 0.02 1 
       581 293  62 HIS CA   C  54.55 0.3  1 
       582 293  62 HIS CB   C  27.89 0.3  1 
       583 293  62 HIS CD2  C 114.55 0.3  1 
       584 293  62 HIS CE1  C 132.20 0.3  1 
       585 293  62 HIS N    N 125.36 0.3  1 
       586 294  63 ILE H    H   8.75 0.02 1 
       587 294  63 ILE HA   H   3.93 0.02 1 
       588 294  63 ILE HB   H   2.11 0.02 1 
       589 294  63 ILE HD1  H   0.60 0.02 1 
       590 294  63 ILE HG12 H   1.62 0.02 2 
       591 294  63 ILE HG13 H   0.83 0.02 2 
       592 294  63 ILE HG2  H   0.83 0.02 1 
       593 294  63 ILE CA   C  60.46 0.3  1 
       594 294  63 ILE CB   C  33.24 0.3  1 
       595 294  63 ILE CD1  C  11.22 0.3  1 
       596 294  63 ILE CG1  C  25.84 0.3  1 
       597 294  63 ILE CG2  C  16.00 0.3  1 
       598 294  63 ILE N    N 125.07 0.3  1 
       599 295  64 LYS H    H   8.66 0.02 1 
       600 295  64 LYS HA   H   4.11 0.02 1 
       601 295  64 LYS HB2  H   1.26 0.02 2 
       602 295  64 LYS HB3  H   1.15 0.02 2 
       603 295  64 LYS HE2  H   2.98 0.02 2 
       604 295  64 LYS HE3  H   2.95 0.02 2 
       605 295  64 LYS CA   C  52.64 0.3  1 
       606 295  64 LYS CB   C  29.66 0.3  1 
       607 295  64 LYS CD   C  26.23 0.3  1 
       608 295  64 LYS CE   C  40.02 0.3  1 
       609 295  64 LYS CG   C  22.83 0.3  1 
       610 295  64 LYS N    N 131.83 0.3  1 
       611 296  65 GLU H    H   7.90 0.02 1 
       612 296  65 GLU HA   H   5.29 0.02 1 
       613 296  65 GLU HG2  H   2.18 0.02 2 
       614 296  65 GLU HG3  H   2.07 0.02 2 
       615 296  65 GLU CA   C  50.33 0.3  1 
       616 296  65 GLU CB   C  30.37 0.3  1 
       617 296  65 GLU CG   C  33.60 0.3  1 
       618 296  65 GLU N    N 115.75 0.3  1 
       619 297  66 THR H    H   8.55 0.02 1 
       620 297  66 THR HA   H   4.51 0.02 1 
       621 297  66 THR HB   H   4.43 0.02 1 
       622 297  66 THR HG2  H   1.06 0.02 1 
       623 297  66 THR CA   C  57.68 0.3  1 
       624 297  66 THR CB   C  67.66 0.3  1 
       625 297  66 THR CG2  C  20.54 0.3  1 
       626 297  66 THR N    N 113.31 0.3  1 
       627 298  67 ASN H    H   8.35 0.02 1 
       628 298  67 ASN HA   H   4.80 0.02 1 
       629 298  67 ASN HB2  H   2.81 0.02 2 
       630 298  67 ASN HB3  H   2.62 0.02 2 
       631 298  67 ASN HD21 H   7.48 0.02 1 
       632 298  67 ASN HD22 H   6.81 0.02 1 
       633 298  67 ASN CA   C  49.80 0.3  1 
       634 298  67 ASN CB   C  35.41 0.3  1 
       635 298  67 ASN N    N 114.87 0.3  1 
       636 298  67 ASN ND2  N 112.41 0.3  1 
       637 299  68 ASP H    H   7.10 0.02 1 
       638 299  68 ASP HA   H   4.30 0.02 1 
       639 299  68 ASP HB2  H   2.20 0.02 2 
       640 299  68 ASP HB3  H   2.55 0.02 2 
       641 299  68 ASP CA   C  51.97 0.3  1 
       642 299  68 ASP CB   C  41.33 0.3  1 
       643 299  68 ASP N    N 117.03 0.3  1 
       644 300  69 SER H    H   8.14 0.02 1 
       645 300  69 SER HA   H   4.54 0.02 1 
       646 300  69 SER HB2  H   3.64 0.02 2 
       647 300  69 SER HB3  H   3.47 0.02 2 
       648 300  69 SER CA   C  51.67 0.3  1 
       649 300  69 SER CB   C  61.60 0.3  1 
       650 300  69 SER N    N 112.93 0.3  1 
       651 301  70 PRO HA   H   4.65 0.02 1 
       652 301  70 PRO HB2  H   2.32 0.02 2 
       653 301  70 PRO HB3  H   1.99 0.02 2 
       654 301  70 PRO HD2  H   3.47 0.02 2 
       655 301  70 PRO HD3  H   3.36 0.02 2 
       656 301  70 PRO HG2  H   1.73 0.02 2 
       657 301  70 PRO HG3  H   1.81 0.02 2 
       658 301  70 PRO CA   C  60.31 0.3  1 
       659 301  70 PRO CB   C  32.15 0.3  1 
       660 301  70 PRO CD   C  47.60 0.3  1 
       661 301  70 PRO CG   C  22.60 0.3  1 
       662 302  71 LYS H    H   8.08 0.02 1 
       663 302  71 LYS HA   H   3.52 0.02 1 
       664 302  71 LYS HG2  H   1.23 0.02 2 
       665 302  71 LYS HG3  H   1.44 0.02 2 
       666 302  71 LYS CA   C  55.51 0.3  1 
       667 302  71 LYS CB   C  30.92 0.3  1 
       668 302  71 LYS CD   C  27.46 0.3  1 
       669 302  71 LYS CE   C  39.69 0.3  1 
       670 302  71 LYS CG   C  21.95 0.3  1 
       671 302  71 LYS N    N 119.22 0.3  1 
       672 303  72 ARG H    H   7.28 0.02 1 
       673 303  72 ARG HA   H   4.46 0.02 1 
       674 303  72 ARG HB2  H   1.82 0.02 2 
       675 303  72 ARG HB3  H   1.33 0.02 2 
       676 303  72 ARG HD2  H   2.90 0.02 2 
       677 303  72 ARG HD3  H   2.87 0.02 2 
       678 303  72 ARG HE   H   6.79 0.02 1 
       679 303  72 ARG CA   C  51.91 0.3  1 
       680 303  72 ARG CB   C  30.50 0.3  1 
       681 303  72 ARG CD   C  41.33 0.3  1 
       682 303  72 ARG CG   C  26.17 0.3  1 
       683 303  72 ARG N    N 119.55 0.3  1 
       684 303  72 ARG NE   N 119.29 0.3  1 
       685 304  73 TYR H    H   8.80 0.02 1 
       686 304  73 TYR HA   H   5.71 0.02 1 
       687 304  73 TYR HB2  H   2.24 0.02 2 
       688 304  73 TYR HB3  H   2.70 0.02 2 
       689 304  73 TYR HD1  H   6.74 0.02 3 
       690 304  73 TYR HD2  H   6.70 0.02 3 
       691 304  73 TYR HE1  H   6.88 0.02 3 
       692 304  73 TYR HE2  H   6.86 0.02 3 
       693 304  73 TYR CA   C  54.92 0.3  1 
       694 304  73 TYR CB   C  40.83 0.3  1 
       695 304  73 TYR N    N 115.29 0.3  1 
       696 305  74 TYR H    H   8.82 0.02 1 
       697 305  74 TYR HA   H   5.19 0.02 1 
       698 305  74 TYR HB2  H   2.98 0.02 2 
       699 305  74 TYR HB3  H   3.11 0.02 2 
       700 305  74 TYR HD1  H   6.34 0.02 3 
       701 305  74 TYR HD2  H   6.34 0.02 3 
       702 305  74 TYR HE1  H   6.38 0.02 3 
       703 305  74 TYR HE2  H   6.38 0.02 3 
       704 305  74 TYR CA   C  55.34 0.3  1 
       705 305  74 TYR CB   C  38.67 0.3  1 
       706 305  74 TYR CD1  C 127.97 0.3  1 
       707 305  74 TYR CE1  C 112.21 0.3  1 
       708 305  74 TYR N    N 116.20 0.3  1 
       709 306  75 VAL H    H   9.90 0.02 1 
       710 306  75 VAL HA   H   4.49 0.02 1 
       711 306  75 VAL HB   H   1.74 0.02 1 
       712 306  75 VAL HG1  H   0.65 0.02 1 
       713 306  75 VAL HG2  H   0.48 0.02 1 
       714 306  75 VAL CA   C  59.74 0.3  1 
       715 306  75 VAL CB   C  30.88 0.3  1 
       716 306  75 VAL CG1  C  21.50 0.3  1 
       717 306  75 VAL CG2  C  18.83 0.3  1 
       718 306  75 VAL N    N 114.29 0.3  1 
       719 307  76 ALA H    H   9.31 0.02 1 
       720 307  76 ALA HA   H   4.69 0.02 1 
       721 307  76 ALA HB   H   1.58 0.02 1 
       722 307  76 ALA CA   C  48.68 0.3  1 
       723 307  76 ALA CB   C  19.01 0.3  1 
       724 307  76 ALA N    N 128.28 0.3  1 
       725 308  77 GLU H    H   8.74 0.02 1 
       726 308  77 GLU HA   H   3.05 0.02 1 
       727 308  77 GLU HB2  H   1.70 0.02 2 
       728 308  77 GLU HB3  H   1.63 0.02 2 
       729 308  77 GLU CA   C  56.96 0.3  1 
       730 308  77 GLU CB   C  26.88 0.3  1 
       731 308  77 GLU CG   C  34.03 0.3  1 
       732 308  77 GLU N    N 121.52 0.3  1 
       733 309  78 LYS H    H   7.77 0.02 1 
       734 309  78 LYS HA   H   3.55 0.02 1 
       735 309  78 LYS HB2  H   1.27 0.02 2 
       736 309  78 LYS HB3  H   1.05 0.02 2 
       737 309  78 LYS HG2  H   0.98 0.02 2 
       738 309  78 LYS HG3  H   0.82 0.02 2 
       739 309  78 LYS CA   C  55.01 0.3  1 
       740 309  78 LYS CB   C  29.47 0.3  1 
       741 309  78 LYS CD   C  26.40 0.3  1 
       742 309  78 LYS CE   C  39.33 0.3  1 
       743 309  78 LYS CG   C  22.75 0.3  1 
       744 309  78 LYS N    N 113.69 0.3  1 
       745 310  79 TYR H    H   7.77 0.02 1 
       746 310  79 TYR HA   H   4.26 0.02 1 
       747 310  79 TYR HB2  H   3.04 0.02 2 
       748 310  79 TYR HB3  H   2.66 0.02 2 
       749 310  79 TYR HD1  H   6.81 0.02 3 
       750 310  79 TYR HD2  H   6.80 0.02 3 
       751 310  79 TYR HE1  H   6.63 0.02 3 
       752 310  79 TYR HE2  H   6.65 0.02 3 
       753 310  79 TYR CA   C  54.23 0.3  1 
       754 310  79 TYR CB   C  36.27 0.3  1 
       755 310  79 TYR CD1  C 128.16 0.3  1 
       756 310  79 TYR CE1  C 112.03 0.3  1 
       757 310  79 TYR N    N 120.44 0.3  1 
       758 311  80 VAL H    H   7.20 0.02 1 
       759 311  80 VAL HA   H   4.60 0.02 1 
       760 311  80 VAL HB   H   1.40 0.02 1 
       761 311  80 VAL HG1  H   0.61 0.02 1 
       762 311  80 VAL HG2  H   0.38 0.02 1 
       763 311  80 VAL CA   C  57.52 0.3  1 
       764 311  80 VAL CB   C  30.97 0.3  1 
       765 311  80 VAL CG1  C  20.59 0.3  1 
       766 311  80 VAL CG2  C  17.98 0.3  1 
       767 311  80 VAL N    N 121.02 0.3  1 
       768 312  81 PHE H    H   9.28 0.02 1 
       769 312  81 PHE HA   H   4.81 0.02 1 
       770 312  81 PHE HB2  H   3.18 0.02 2 
       771 312  81 PHE HB3  H   2.64 0.02 2 
       772 312  81 PHE HD1  H   7.18 0.02 3 
       773 312  81 PHE HD2  H   7.16 0.02 3 
       774 312  81 PHE HE1  H   6.98 0.02 3 
       775 312  81 PHE HE2  H   6.94 0.02 3 
       776 312  81 PHE HZ   H   6.08 0.02 1 
       777 312  81 PHE CA   C  54.99 0.3  1 
       778 312  81 PHE CB   C  43.14 0.3  1 
       779 312  81 PHE N    N 121.07 0.3  1 
       780 313  82 ASP H    H   9.16 0.02 1 
       781 313  82 ASP HA   H   4.57 0.02 1 
       782 313  82 ASP HB2  H   2.51 0.02 2 
       783 313  82 ASP HB3  H   2.82 0.02 2 
       784 313  82 ASP CA   C  53.94 0.3  1 
       785 313  82 ASP CB   C  38.64 0.3  1 
       786 313  82 ASP N    N 117.87 0.3  1 
       787 314  83 SER H    H   7.60 0.02 1 
       788 314  83 SER HA   H   4.71 0.02 1 
       789 314  83 SER HB2  H   3.97 0.02 2 
       790 314  83 SER HB3  H   3.85 0.02 2 
       791 314  83 SER CA   C  53.69 0.3  1 
       792 314  83 SER CB   C  63.90 0.3  1 
       793 314  83 SER N    N 110.48 0.3  1 
       794 315  84 ILE H    H   8.92 0.02 1 
       795 315  84 ILE HA   H   3.49 0.02 1 
       796 315  84 ILE HB   H   1.46 0.02 1 
       797 315  84 ILE HD1  H   0.40 0.02 1 
       798 315  84 ILE HG12 H   0.48 0.02 2 
       799 315  84 ILE HG13 H   0.17 0.02 2 
       800 315  84 ILE HG2  H   0.40 0.02 1 
       801 315  84 ILE CA   C  63.97 0.3  1 
       802 315  84 ILE CB   C  32.78 0.3  1 
       803 315  84 ILE CD1  C  11.60 0.3  1 
       804 315  84 ILE CG1  C  27.91 0.3  1 
       805 315  84 ILE CG2  C  14.55 0.3  1 
       806 315  84 ILE N    N 120.57 0.3  1 
       807 316  85 PRO HA   H   3.85 0.02 1 
       808 316  85 PRO HB2  H   1.97 0.02 2 
       809 316  85 PRO HB3  H   1.56 0.02 2 
       810 316  85 PRO HD2  H   3.30 0.02 2 
       811 316  85 PRO HD3  H   3.56 0.02 2 
       812 316  85 PRO HG2  H   2.09 0.02 2 
       813 316  85 PRO HG3  H   1.20 0.02 2 
       814 316  85 PRO CA   C  64.14 0.3  1 
       815 316  85 PRO CB   C  28.29 0.3  1 
       816 316  85 PRO CD   C  46.56 0.3  1 
       817 316  85 PRO CG   C  26.76 0.3  1 
       818 317  86 LEU H    H   7.20 0.02 1 
       819 317  86 LEU HA   H   3.86 0.02 1 
       820 317  86 LEU HB2  H   1.80 0.02 2 
       821 317  86 LEU HB3  H   1.46 0.02 2 
       822 317  86 LEU HD1  H   1.01 0.02 1 
       823 317  86 LEU HD2  H   0.86 0.02 1 
       824 317  86 LEU HG   H   1.47 0.02 1 
       825 317  86 LEU CA   C  55.37 0.3  1 
       826 317  86 LEU CB   C  39.26 0.3  1 
       827 317  86 LEU CD1  C  23.40 0.3  1 
       828 317  86 LEU CD2  C  20.02 0.3  1 
       829 317  86 LEU CG   C  25.06 0.3  1 
       830 317  86 LEU N    N 116.37 0.3  1 
       831 318  87 LEU H    H   7.11 0.02 1 
       832 318  87 LEU HA   H   2.53 0.02 1 
       833 318  87 LEU HB2  H   2.01 0.02 2 
       834 318  87 LEU HB3  H   1.41 0.02 2 
       835 318  87 LEU HD1  H   1.06 0.02 1 
       836 318  87 LEU HD2  H   0.52 0.02 1 
       837 318  87 LEU HG   H   1.71 0.02 1 
       838 318  87 LEU CA   C  55.39 0.3  1 
       839 318  87 LEU CB   C  40.27 0.3  1 
       840 318  87 LEU CD1  C  26.07 0.3  1 
       841 318  87 LEU CD2  C  22.43 0.3  1 
       842 318  87 LEU CG   C  24.44 0.3  1 
       843 318  87 LEU N    N 124.14 0.3  1 
       844 319  88 ILE H    H   7.86 0.02 1 
       845 319  88 ILE HA   H   2.95 0.02 1 
       846 319  88 ILE HB   H   1.22 0.02 1 
       847 319  88 ILE HD1  H  -0.27 0.02 1 
       848 319  88 ILE HG12 H   0.87 0.02 2 
       849 319  88 ILE HG13 H  -0.70 0.02 2 
       850 319  88 ILE HG2  H  -0.46 0.02 1 
       851 319  88 ILE CA   C  58.34 0.3  1 
       852 319  88 ILE CB   C  31.92 0.3  1 
       853 319  88 ILE CD1  C   5.48 0.3  1 
       854 319  88 ILE CG1  C  22.42 0.3  1 
       855 319  88 ILE CG2  C  13.47 0.3  1 
       856 319  88 ILE N    N 119.22 0.3  1 
       857 320  89 GLN H    H   7.73 0.02 1 
       858 320  89 GLN HA   H   3.96 0.02 1 
       859 320  89 GLN HB2  H   2.01 0.02 2 
       860 320  89 GLN HB3  H   1.94 0.02 2 
       861 320  89 GLN HE21 H   7.38 0.02 1 
       862 320  89 GLN HE22 H   6.76 0.02 1 
       863 320  89 GLN HG2  H   2.35 0.02 2 
       864 320  89 GLN HG3  H   2.27 0.02 2 
       865 320  89 GLN CA   C  56.23 0.3  1 
       866 320  89 GLN CB   C  26.08 0.3  1 
       867 320  89 GLN CG   C  31.79 0.3  1 
       868 320  89 GLN N    N 116.67 0.3  1 
       869 320  89 GLN NE2  N 110.90 0.3  1 
       870 321  90 TYR H    H   7.51 0.02 1 
       871 321  90 TYR HA   H   3.83 0.02 1 
       872 321  90 TYR HB2  H   2.58 0.02 2 
       873 321  90 TYR HB3  H   2.20 0.02 2 
       874 321  90 TYR HD1  H   6.19 0.02 3 
       875 321  90 TYR HD2  H   6.15 0.02 3 
       876 321  90 TYR HE1  H   6.84 0.02 3 
       877 321  90 TYR HE2  H   6.89 0.02 3 
       878 321  90 TYR CA   C  59.83 0.3  1 
       879 321  90 TYR CB   C  36.42 0.3  1 
       880 321  90 TYR N    N 118.69 0.3  1 
       881 322  91 HIS H    H   7.60 0.02 1 
       882 322  91 HIS HA   H   4.50 0.02 1 
       883 322  91 HIS HB2  H   2.90 0.02 2 
       884 322  91 HIS HB3  H   2.49 0.02 2 
       885 322  91 HIS HD1  H  10.81 0.02 1 
       886 322  91 HIS HD2  H   6.74 0.02 1 
       887 322  91 HIS HE1  H   7.55 0.02 1 
       888 322  91 HIS CA   C  55.38 0.3  1 
       889 322  91 HIS CB   C  25.27 0.3  1 
       890 322  91 HIS CD2  C 112.87 0.3  1 
       891 322  91 HIS CE1  C 132.70 0.3  1 
       892 322  91 HIS N    N 116.79 0.3  1 
       893 323  92 GLN H    H   7.55 0.02 1 
       894 323  92 GLN HA   H   4.37 0.02 1 
       895 323  92 GLN HB2  H   1.82 0.02 2 
       896 323  92 GLN HB3  H   1.39 0.02 2 
       897 323  92 GLN HE21 H   6.94 0.02 1 
       898 323  92 GLN HE22 H   6.73 0.02 1 
       899 323  92 GLN HG2  H   1.61 0.02 1 
       900 323  92 GLN CA   C  54.89 0.3  1 
       901 323  92 GLN CB   C  27.47 0.3  1 
       902 323  92 GLN CG   C  31.72 0.3  1 
       903 323  92 GLN N    N 119.44 0.3  1 
       904 323  92 GLN NE2  N 108.97 0.3  1 
       905 324  93 TYR H    H   6.72 0.02 1 
       906 324  93 TYR HA   H   4.28 0.02 1 
       907 324  93 TYR HB2  H   2.44 0.02 2 
       908 324  93 TYR HB3  H   2.93 0.02 2 
       909 324  93 TYR HD1  H   7.01 0.02 1 
       910 324  93 TYR HE1  H   6.62 0.02 1 
       911 324  93 TYR CA   C  55.70 0.3  1 
       912 324  93 TYR CB   C  37.54 0.3  1 
       913 324  93 TYR CD1  C 127.68 0.3  1 
       914 324  93 TYR CE1  C 112.40 0.3  1 
       915 324  93 TYR N    N 114.85 0.3  1 
       916 325  94 ASN H    H   7.52 0.02 1 
       917 325  94 ASN HA   H   4.47 0.02 1 
       918 325  94 ASN HB2  H   1.87 0.02 2 
       919 325  94 ASN HB3  H   1.42 0.02 2 
       920 325  94 ASN HD21 H   6.83 0.02 1 
       921 325  94 ASN HD22 H   6.73 0.02 1 
       922 325  94 ASN CA   C  49.42 0.3  1 
       923 325  94 ASN CB   C  38.70 0.3  1 
       924 325  94 ASN N    N 117.86 0.3  1 
       925 325  94 ASN ND2  N 117.02 0.3  1 
       926 326  95 GLY H    H   8.66 0.02 1 
       927 326  95 GLY CA   C  43.67 0.3  1 
       928 326  95 GLY N    N 109.82 0.3  1 
       929 327  96 GLY H    H   8.21 0.02 1 
       930 327  96 GLY HA2  H   4.32 0.02 2 
       931 327  96 GLY HA3  H   3.69 0.02 2 
       932 327  96 GLY CA   C  43.90 0.3  1 
       933 327  96 GLY N    N 107.36 0.3  1 
       934 328  97 GLY H    H   8.24 0.02 1 
       935 328  97 GLY HA2  H   4.09 0.02 2 
       936 328  97 GLY HA3  H   3.51 0.02 2 
       937 328  97 GLY CA   C  42.50 0.3  1 
       938 328  97 GLY N    N 106.54 0.3  1 
       939 329  98 LEU H    H   7.65 0.02 1 
       940 329  98 LEU HA   H   4.14 0.02 1 
       941 329  98 LEU HB2  H   1.65 0.02 2 
       942 329  98 LEU HB3  H   1.04 0.02 2 
       943 329  98 LEU HD1  H   0.05 0.02 1 
       944 329  98 LEU HD2  H  -0.37 0.02 1 
       945 329  98 LEU HG   H   1.06 0.02 1 
       946 329  98 LEU CA   C  51.30 0.3  1 
       947 329  98 LEU CB   C  40.32 0.3  1 
       948 329  98 LEU CD1  C  21.46 0.3  1 
       949 329  98 LEU CD2  C  17.74 0.3  1 
       950 329  98 LEU CG   C  24.08 0.3  1 
       951 329  98 LEU N    N 119.15 0.3  1 
       952 330  99 VAL H    H   7.39 0.02 1 
       953 330  99 VAL HA   H   3.79 0.02 1 
       954 330  99 VAL HB   H   2.03 0.02 1 
       955 330  99 VAL HG1  H   0.78 0.02 1 
       956 330  99 VAL CA   C  60.91 0.3  1 
       957 330  99 VAL CB   C  29.28 0.3  1 
       958 330  99 VAL CG1  C  18.08 0.3  1 
       959 330  99 VAL N    N 114.69 0.3  1 
       960 331 100 THR H    H   6.93 0.02 1 
       961 331 100 THR HA   H   4.26 0.02 1 
       962 331 100 THR HB   H   3.89 0.02 1 
       963 331 100 THR HG2  H   1.01 0.02 1 
       964 331 100 THR CA   C  56.88 0.3  1 
       965 331 100 THR CB   C  67.30 0.3  1 
       966 331 100 THR CG2  C  18.18 0.3  1 
       967 331 100 THR N    N 112.89 0.3  1 
       968 332 101 ARG H    H   7.39 0.02 1 
       969 332 101 ARG HA   H   3.96 0.02 1 
       970 332 101 ARG HG2  H   1.23 0.02 2 
       971 332 101 ARG HG3  H   1.07 0.02 2 
       972 332 101 ARG CA   C  53.46 0.3  1 
       973 332 101 ARG CB   C  28.78 0.3  1 
       974 332 101 ARG CD   C  41.34 0.3  1 
       975 332 101 ARG CG   C  24.80 0.3  1 
       976 332 101 ARG N    N 120.11 0.3  1 
       977 333 102 LEU H    H   7.35 0.02 1 
       978 333 102 LEU HA   H   3.61 0.02 1 
       979 333 102 LEU HB2  H   0.53 0.02 2 
       980 333 102 LEU HB3  H  -1.20 0.02 2 
       981 333 102 LEU HD1  H  -0.01 0.02 1 
       982 333 102 LEU HD2  H  -0.09 0.02 1 
       983 333 102 LEU HG   H   0.94 0.02 1 
       984 333 102 LEU CA   C  50.83 0.3  1 
       985 333 102 LEU CB   C  34.16 0.3  1 
       986 333 102 LEU CD1  C  18.33 0.3  1 
       987 333 102 LEU CD2  C  23.41 0.3  1 
       988 333 102 LEU CG   C  22.39 0.3  1 
       989 333 102 LEU N    N 119.49 0.3  1 
       990 334 103 ARG H    H   8.17 0.02 1 
       991 334 103 ARG HA   H   4.11 0.02 1 
       992 334 103 ARG CA   C  55.21 0.3  1 
       993 334 103 ARG CB   C  31.20 0.3  1 
       994 334 103 ARG CD   C  40.56 0.3  1 
       995 334 103 ARG CG   C  24.96 0.3  1 
       996 334 103 ARG N    N 122.17 0.3  1 
       997 335 104 TYR H    H   7.61 0.02 1 
       998 335 104 TYR HA   H   5.16 0.02 1 
       999 335 104 TYR HB2  H   2.91 0.02 2 
      1000 335 104 TYR HB3  H   2.46 0.02 2 
      1001 335 104 TYR HD1  H   6.92 0.02 1 
      1002 335 104 TYR HE1  H   6.78 0.02 1 
      1003 335 104 TYR CA   C  51.85 0.3  1 
      1004 335 104 TYR CB   C  37.71 0.3  1 
      1005 335 104 TYR N    N 118.13 0.3  1 
      1006 336 105 PRO HA   H   3.49 0.02 1 
      1007 336 105 PRO HB2  H   1.66 0.02 2 
      1008 336 105 PRO HB3  H   1.56 0.02 2 
      1009 336 105 PRO HD2  H   3.69 0.02 2 
      1010 336 105 PRO HD3  H   3.77 0.02 2 
      1011 336 105 PRO HG2  H   1.95 0.02 2 
      1012 336 105 PRO HG3  H   2.13 0.02 2 
      1013 336 105 PRO CA   C  59.54 0.3  1 
      1014 336 105 PRO CB   C  30.01 0.3  1 
      1015 336 105 PRO CD   C  48.22 0.3  1 
      1016 336 105 PRO CG   C  24.65 0.3  1 
      1017 337 106 VAL H    H   8.16 0.02 1 
      1018 337 106 VAL HA   H   3.94 0.02 1 
      1019 337 106 VAL HB   H   1.52 0.02 1 
      1020 337 106 VAL HG1  H   0.90 0.02 1 
      1021 337 106 VAL HG2  H   0.56 0.02 1 
      1022 337 106 VAL CA   C  59.35 0.3  1 
      1023 337 106 VAL CB   C  30.66 0.3  1 
      1024 337 106 VAL CG1  C  20.68 0.3  1 
      1025 337 106 VAL CG2  C  18.67 0.3  1 
      1026 337 106 VAL N    N 124.75 0.3  1 
      1027 338 107 CYS H    H   8.20 0.02 1 
      1028 338 107 CYS HA   H   4.63 0.02 1 
      1029 338 107 CYS HB2  H   2.82 0.02 2 
      1030 338 107 CYS HB3  H   2.70 0.02 2 
      1031 338 107 CYS CA   C  54.76 0.3  1 
      1032 338 107 CYS CB   C  26.09 0.3  1 
      1033 338 107 CYS N    N 124.32 0.3  1 
      1034 339 108 GLY H    H   8.48 0.02 1 
      1035 339 108 GLY HA2  H   3.91 0.02 2 
      1036 339 108 GLY HA3  H   3.51 0.02 2 
      1037 339 108 GLY CA   C  42.95 0.3  1 
      1038 339 108 GLY N    N 112.38 0.3  1 

   stop_

save_


save_assigned_chem_shift_list_SH2_77%_bound_1
   _Saveframe_category               assigned_chemical_shifts

   _Details                         
;
SH2 domain at 35% bound               
1.5mM 15N 13C               
3.4mM 14N 12C
;

   loop_
      _Software_label

      $CARA 

   stop_

   loop_
      _Experiment_label

      '2D 1H-15N HSQC'  
      '2D 1H-13C HSQC'  
      '3D HNCO'         
      '3D 1H-15N TOCSY' 
       (HB)CB(CGCD)HD   
       (HB)CB(CGCDCE)HE 
      '3D HBHA(CO)NH'   
      '3D HCCH-TOCSY'   

   stop_

   loop_
      _Sample_label

      $SH2_77%_bound 
      $SH3_77%_bound 

   stop_

   _Sample_conditions_label         $isotropic_conditions_1
   _Chem_shift_reference_set_label  $chemical_shift_reference_1
   _Mol_system_component_name        Itk_SH3_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

        1 169  1 GLY H    H   8.57 0.02 1 
        2 169  1 GLY CA   C  40.91 0.3  1 
        3 169  1 GLY N    N 107.98 0.3  1 
        4 170  2 SER HA   H   4.48 0.02 1 
        5 170  2 SER CA   C  53.34 0.3  1 
        6 170  2 SER CB   C  61.22 0.3  1 
        7 171  3 PRO HA   H   4.28 0.02 1 
        8 171  3 PRO HB2  H   2.16 0.02 2 
        9 171  3 PRO HB3  H   1.76 0.02 2 
       10 171  3 PRO HG2  H   1.89 0.02 2 
       11 171  3 PRO HG3  H   1.85 0.02 2 
       12 171  3 PRO C    C 174.25 0.3  1 
       13 171  3 PRO CA   C  61.25 0.3  1 
       14 171  3 PRO CB   C  29.41 0.3  1 
       15 171  3 PRO CD   C  48.15 0.3  1 
       16 171  3 PRO CG   C  24.81 0.3  1 
       17 172  4 GLU H    H   8.32 0.02 1 
       18 172  4 GLU HA   H   4.08 0.02 1 
       19 172  4 GLU HB2  H   1.76 0.02 2 
       20 172  4 GLU HB3  H   1.92 0.02 2 
       21 172  4 GLU HG2  H   2.18 0.02 2 
       22 172  4 GLU HG3  H   2.12 0.02 2 
       23 172  4 GLU C    C 173.56 0.3  1 
       24 172  4 GLU CA   C  54.43 0.3  1 
       25 172  4 GLU CB   C  27.26 0.3  1 
       26 172  4 GLU CG   C  33.70 0.3  1 
       27 172  4 GLU N    N 119.34 0.3  1 
       28 173  5 GLU H    H   8.03 0.02 1 
       29 173  5 GLU HA   H   4.25 0.02 1 
       30 173  5 GLU HG2  H   2.10 0.02 2 
       31 173  5 GLU HG3  H   2.07 0.02 2 
       32 173  5 GLU C    C 173.22 0.3  1 
       33 173  5 GLU CA   C  54.17 0.3  1 
       34 173  5 GLU CB   C  28.11 0.3  1 
       35 173  5 GLU CG   C  33.73 0.3  1 
       36 173  5 GLU N    N 120.54 0.3  1 
       37 174  6 THR H    H   8.55 0.02 1 
       38 174  6 THR HA   H   4.27 0.02 1 
       39 174  6 THR HB   H   4.01 0.02 1 
       40 174  6 THR HG2  H   1.05 0.02 1 
       41 174  6 THR C    C 170.12 0.3  1 
       42 174  6 THR CA   C  59.95 0.3  1 
       43 174  6 THR CB   C  67.50 0.3  1 
       44 174  6 THR CG2  C  19.17 0.3  1 
       45 174  6 THR N    N 118.97 0.3  1 
       46 175  7 LEU H    H   8.43 0.02 1 
       47 175  7 LEU HA   H   5.06 0.02 1 
       48 175  7 LEU HB2  H   1.59 0.02 2 
       49 175  7 LEU HB3  H   1.08 0.02 2 
       50 175  7 LEU HD1  H   0.63 0.02 1 
       51 175  7 LEU HD2  H   0.34 0.02 1 
       52 175  7 LEU HG   H   1.42 0.02 1 
       53 175  7 LEU C    C 174.37 0.3  1 
       54 175  7 LEU CA   C  51.34 0.3  1 
       55 175  7 LEU CB   C  41.99 0.3  1 
       56 175  7 LEU CD1  C  22.95 0.3  1 
       57 175  7 LEU CD2  C  21.55 0.3  1 
       58 175  7 LEU CG   C  25.09 0.3  1 
       59 175  7 LEU N    N 127.15 0.3  1 
       60 176  8 VAL H    H   9.21 0.02 1 
       61 176  8 VAL HA   H   5.11 0.02 1 
       62 176  8 VAL HB   H   2.02 0.02 1 
       63 176  8 VAL HG1  H   0.84 0.02 1 
       64 176  8 VAL HG2  H   0.84 0.02 1 
       65 176  8 VAL C    C 170.85 0.3  1 
       66 176  8 VAL CA   C  55.44 0.3  1 
       67 176  8 VAL CB   C  33.01 0.3  1 
       68 176  8 VAL CG1  C  18.09 0.3  1 
       69 176  8 VAL CG2  C  20.76 0.3  1 
       70 176  8 VAL N    N 114.58 0.3  1 
       71 177  9 ILE H    H   9.26 0.02 1 
       72 177  9 ILE HA   H   5.00 0.02 1 
       73 177  9 ILE HB   H   1.47 0.02 1 
       74 177  9 ILE HD1  H   0.71 0.02 1 
       75 177  9 ILE HG12 H   1.31 0.02 2 
       76 177  9 ILE HG13 H   0.94 0.02 2 
       77 177  9 ILE HG2  H   0.72 0.02 1 
       78 177  9 ILE C    C 173.31 0.3  1 
       79 177  9 ILE CA   C  56.04 0.3  1 
       80 177  9 ILE CB   C  38.73 0.3  1 
       81 177  9 ILE CD1  C  11.23 0.3  1 
       82 177  9 ILE CG1  C  25.58 0.3  1 
       83 177  9 ILE CG2  C  15.03 0.3  1 
       84 177  9 ILE N    N 120.62 0.3  1 
       85 178 10 ALA H    H   8.17 0.02 1 
       86 178 10 ALA HA   H   4.98 0.02 1 
       87 178 10 ALA HB   H   1.58 0.02 1 
       88 178 10 ALA C    C 176.18 0.3  1 
       89 178 10 ALA CA   C  48.68 0.3  1 
       90 178 10 ALA CB   C  17.34 0.3  1 
       91 178 10 ALA N    N 125.40 0.3  1 
       92 179 11 LEU H    H   9.28 0.02 1 
       93 179 11 LEU HA   H   3.89 0.02 1 
       94 179 11 LEU HB2  H   0.77 0.02 2 
       95 179 11 LEU HB3  H   0.48 0.02 2 
       96 179 11 LEU HD1  H   0.61 0.02 1 
       97 179 11 LEU HD2  H   0.55 0.02 1 
       98 179 11 LEU HG   H   1.23 0.02 1 
       99 179 11 LEU C    C 172.78 0.3  1 
      100 179 11 LEU CA   C  52.83 0.3  1 
      101 179 11 LEU CB   C  41.26 0.3  1 
      102 179 11 LEU CD1  C  22.61 0.3  1 
      103 179 11 LEU CD2  C  19.89 0.3  1 
      104 179 11 LEU CG   C  24.03 0.3  1 
      105 179 11 LEU N    N 125.95 0.3  1 
      106 180 12 TYR H    H   7.05 0.02 1 
      107 180 12 TYR HA   H   4.54 0.02 1 
      108 180 12 TYR HB2  H   2.98 0.02 2 
      109 180 12 TYR HB3  H   2.24 0.02 2 
      110 180 12 TYR C    C 171.06 0.3  1 
      111 180 12 TYR CA   C  50.73 0.3  1 
      112 180 12 TYR CB   C  40.10 0.3  1 
      113 180 12 TYR N    N 112.08 0.3  1 
      114 181 13 ASP H    H   8.08 0.02 1 
      115 181 13 ASP HA   H   4.48 0.02 1 
      116 181 13 ASP HB2  H   2.64 0.02 2 
      117 181 13 ASP HB3  H   2.53 0.02 2 
      118 181 13 ASP C    C 173.22 0.3  1 
      119 181 13 ASP CA   C  51.87 0.3  1 
      120 181 13 ASP CB   C  39.09 0.3  1 
      121 181 13 ASP N    N 117.79 0.3  1 
      122 182 14 TYR H    H   8.63 0.02 1 
      123 182 14 TYR HA   H   4.82 0.02 1 
      124 182 14 TYR C    C 171.11 0.3  1 
      125 182 14 TYR CA   C  54.94 0.3  1 
      126 182 14 TYR CB   C  38.79 0.3  1 
      127 182 14 TYR N    N 121.41 0.3  1 
      128 183 15 GLN H    H   7.88 0.02 1 
      129 183 15 GLN HA   H   4.36 0.02 1 
      130 183 15 GLN HB2  H   1.74 0.02 2 
      131 183 15 GLN HB3  H   1.67 0.02 2 
      132 183 15 GLN HE21 H   7.45 0.02 1 
      133 183 15 GLN HE22 H   6.67 0.02 1 
      134 183 15 GLN C    C 171.20 0.3  1 
      135 183 15 GLN CA   C  51.63 0.3  1 
      136 183 15 GLN CB   C  26.82 0.3  1 
      137 183 15 GLN CG   C  30.86 0.3  1 
      138 183 15 GLN N    N 125.99 0.3  1 
      139 183 15 GLN NE2  N 111.94 0.3  1 
      140 184 16 THR H    H   7.78 0.02 1 
      141 184 16 THR HA   H   4.24 0.02 1 
      142 184 16 THR HB   H   3.85 0.02 1 
      143 184 16 THR HG2  H   0.86 0.02 1 
      144 184 16 THR C    C 169.15 0.3  1 
      145 184 16 THR CA   C  56.90 0.3  1 
      146 184 16 THR CB   C  66.05 0.3  1 
      147 184 16 THR CG2  C  16.84 0.3  1 
      148 184 16 THR N    N 115.35 0.3  1 
      149 185 17 ASN H    H   8.55 0.02 1 
      150 185 17 ASN HA   H   4.80 0.02 1 
      151 185 17 ASN HB2  H   2.75 0.02 2 
      152 185 17 ASN HB3  H   2.54 0.02 2 
      153 185 17 ASN HD21 H   7.41 0.02 1 
      154 185 17 ASN HD22 H   6.73 0.02 1 
      155 185 17 ASN C    C 171.88 0.3  1 
      156 185 17 ASN CA   C  49.56 0.3  1 
      157 185 17 ASN CB   C  37.27 0.3  1 
      158 185 17 ASN N    N 122.73 0.3  1 
      159 185 17 ASN ND2  N 113.01 0.3  1 
      160 186 18 ASP H    H   8.44 0.02 1 
      161 186 18 ASP HA   H   4.72 0.02 1 
      162 186 18 ASP HB2  H   2.39 0.02 2 
      163 186 18 ASP HB3  H   2.29 0.02 2 
      164 186 18 ASP CA   C  49.41 0.3  1 
      165 186 18 ASP CB   C  40.48 0.3  1 
      166 186 18 ASP N    N 125.82 0.3  1 
      167 187 19 PRO HA   H   4.41 0.02 1 
      168 187 19 PRO HB2  H   2.30 0.02 2 
      169 187 19 PRO HB3  H   1.95 0.02 2 
      170 187 19 PRO HD2  H   3.87 0.02 2 
      171 187 19 PRO HD3  H   3.68 0.02 2 
      172 187 19 PRO C    C 174.89 0.3  1 
      173 187 19 PRO CA   C  61.87 0.3  1 
      174 187 19 PRO CB   C  29.79 0.3  1 
      175 187 19 PRO CD   C  48.70 0.3  1 
      176 187 19 PRO CG   C  24.52 0.3  1 
      177 188 20 GLN H    H   8.80 0.02 1 
      178 188 20 GLN HA   H   4.47 0.02 1 
      179 188 20 GLN HB2  H   2.22 0.02 2 
      180 188 20 GLN HB3  H   1.99 0.02 2 
      181 188 20 GLN HE21 H   7.57 0.02 1 
      182 188 20 GLN HE22 H   6.73 0.02 1 
      183 188 20 GLN C    C 174.07 0.3  1 
      184 188 20 GLN CA   C  53.45 0.3  1 
      185 188 20 GLN CB   C  27.17 0.3  1 
      186 188 20 GLN CG   C  32.26 0.3  1 
      187 188 20 GLN N    N 115.80 0.3  1 
      188 188 20 GLN NE2  N 112.34 0.3  1 
      189 189 21 GLU H    H   7.89 0.02 1 
      190 189 21 GLU HA   H   5.34 0.02 1 
      191 189 21 GLU HB2  H   2.40 0.02 2 
      192 189 21 GLU HB3  H   2.17 0.02 2 
      193 189 21 GLU C    C 171.58 0.3  1 
      194 189 21 GLU CA   C  52.40 0.3  1 
      195 189 21 GLU CB   C  31.19 0.3  1 
      196 189 21 GLU CG   C  34.44 0.3  1 
      197 189 21 GLU N    N 120.42 0.3  1 
      198 190 22 LEU H    H   8.05 0.02 1 
      199 190 22 LEU HA   H   4.36 0.02 1 
      200 190 22 LEU HB2  H   1.29 0.02 2 
      201 190 22 LEU HB3  H   0.48 0.02 2 
      202 190 22 LEU HD1  H   0.71 0.02 1 
      203 190 22 LEU HD2  H   0.66 0.02 1 
      204 190 22 LEU HG   H   1.70 0.02 1 
      205 190 22 LEU C    C 170.88 0.3  1 
      206 190 22 LEU CA   C  50.44 0.3  1 
      207 190 22 LEU CB   C  42.94 0.3  1 
      208 190 22 LEU CD1  C  22.16 0.3  1 
      209 190 22 LEU CD2  C  24.44 0.3  1 
      210 190 22 LEU CG   C  23.29 0.3  1 
      211 190 22 LEU N    N 122.97 0.3  1 
      212 191 23 ALA H    H   7.78 0.02 1 
      213 191 23 ALA HA   H   4.30 0.02 1 
      214 191 23 ALA HB   H   1.34 0.02 1 
      215 191 23 ALA C    C 174.83 0.3  1 
      216 191 23 ALA CA   C  49.65 0.3  1 
      217 191 23 ALA CB   C  16.33 0.3  1 
      218 191 23 ALA N    N 124.71 0.3  1 
      219 192 24 LEU H    H   8.54 0.02 1 
      220 192 24 LEU HA   H   4.93 0.02 1 
      221 192 24 LEU HB2  H   1.89 0.02 2 
      222 192 24 LEU HB3  H   1.13 0.02 2 
      223 192 24 LEU HD1  H   0.56 0.02 1 
      224 192 24 LEU HD2  H  -0.10 0.02 1 
      225 192 24 LEU HG   H   1.71 0.02 1 
      226 192 24 LEU C    C 175.04 0.3  1 
      227 192 24 LEU CA   C  50.00 0.3  1 
      228 192 24 LEU CB   C  42.37 0.3  1 
      229 192 24 LEU CD1  C  23.35 0.3  1 
      230 192 24 LEU CD2  C  18.46 0.3  1 
      231 192 24 LEU CG   C  23.94 0.3  1 
      232 192 24 LEU N    N 117.07 0.3  1 
      233 193 25 ARG H    H   8.23 0.02 1 
      234 193 25 ARG HA   H   4.84 0.02 1 
      235 193 25 ARG HB2  H   1.70 0.02 2 
      236 193 25 ARG HB3  H   1.57 0.02 2 
      237 193 25 ARG HG2  H   1.51 0.02 2 
      238 193 25 ARG HG3  H   1.56 0.02 2 
      239 193 25 ARG C    C 171.47 0.3  1 
      240 193 25 ARG CA   C  51.00 0.3  1 
      241 193 25 ARG CB   C  29.93 0.3  1 
      242 193 25 ARG CD   C  40.57 0.3  1 
      243 193 25 ARG CG   C  24.67 0.3  1 
      244 193 25 ARG N    N 123.48 0.3  1 
      245 193 25 ARG NH1  N  85.20 0.3  1 
      246 194 26 CYS H    H   8.85 0.02 1 
      247 194 26 CYS HA   H   3.26 0.02 1 
      248 194 26 CYS C    C 172.08 0.3  1 
      249 194 26 CYS CA   C  58.80 0.3  1 
      250 194 26 CYS CB   C  24.00 0.3  1 
      251 194 26 CYS N    N 122.99 0.3  1 
      252 195 27 ASP H    H   8.89 0.02 1 
      253 195 27 ASP HA   H   4.14 0.02 1 
      254 195 27 ASP HB2  H   3.14 0.02 2 
      255 195 27 ASP HB3  H   2.71 0.02 2 
      256 195 27 ASP C    C 172.46 0.3  1 
      257 195 27 ASP CA   C  55.06 0.3  1 
      258 195 27 ASP CB   C  37.07 0.3  1 
      259 195 27 ASP N    N 120.59 0.3  1 
      260 196 28 GLU H    H   8.28 0.02 1 
      261 196 28 GLU HA   H   4.18 0.02 1 
      262 196 28 GLU C    C 170.88 0.3  1 
      263 196 28 GLU CA   C  54.05 0.3  1 
      264 196 28 GLU CB   C  27.26 0.3  1 
      265 196 28 GLU CG   C  34.46 0.3  1 
      266 196 28 GLU N    N 122.55 0.3  1 
      267 197 29 GLU H    H   7.75 0.02 1 
      268 197 29 GLU HA   H   5.05 0.02 1 
      269 197 29 GLU HG2  H   2.07 0.02 2 
      270 197 29 GLU HG3  H   1.85 0.02 2 
      271 197 29 GLU C    C 172.34 0.3  1 
      272 197 29 GLU CA   C  51.66 0.3  1 
      273 197 29 GLU CB   C  29.81 0.3  1 
      274 197 29 GLU CG   C  33.95 0.3  1 
      275 197 29 GLU N    N 119.29 0.3  1 
      276 198 30 TYR H    H   9.10 0.02 1 
      277 198 30 TYR HA   H   4.40 0.02 1 
      278 198 30 TYR HB2  H   2.68 0.02 2 
      279 198 30 TYR HB3  H   2.28 0.02 2 
      280 198 30 TYR C    C 171.55 0.3  1 
      281 198 30 TYR CA   C  53.85 0.3  1 
      282 198 30 TYR CB   C  39.43 0.3  1 
      283 198 30 TYR N    N 119.14 0.3  1 
      284 199 31 TYR H    H   9.21 0.02 1 
      285 199 31 TYR HA   H   4.82 0.02 1 
      286 199 31 TYR HB2  H   2.89 0.02 2 
      287 199 31 TYR HB3  H   2.70 0.02 2 
      288 199 31 TYR C    C 173.49 0.3  1 
      289 199 31 TYR CA   C  54.93 0.3  1 
      290 199 31 TYR CB   C  36.36 0.3  1 
      291 199 31 TYR N    N 119.55 0.3  1 
      292 200 32 LEU H    H   8.78 0.02 1 
      293 200 32 LEU HA   H   4.32 0.02 1 
      294 200 32 LEU HB2  H   1.75 0.02 2 
      295 200 32 LEU HB3  H   1.01 0.02 2 
      296 200 32 LEU HD1  H   0.17 0.02 1 
      297 200 32 LEU HD2  H   0.38 0.02 1 
      298 200 32 LEU HG   H   0.99 0.02 1 
      299 200 32 LEU C    C 172.58 0.3  1 
      300 200 32 LEU CA   C  52.21 0.3  1 
      301 200 32 LEU CB   C  40.01 0.3  1 
      302 200 32 LEU CD1  C  22.38 0.3  1 
      303 200 32 LEU CD2  C  21.37 0.3  1 
      304 200 32 LEU CG   C  24.33 0.3  1 
      305 200 32 LEU N    N 124.64 0.3  1 
      306 201 33 LEU H    H   8.78 0.02 1 
      307 201 33 LEU HA   H   4.38 0.02 1 
      308 201 33 LEU HB2  H   1.33 0.02 2 
      309 201 33 LEU HB3  H   1.16 0.02 2 
      310 201 33 LEU HD1  H   0.62 0.02 1 
      311 201 33 LEU HD2  H   0.59 0.02 1 
      312 201 33 LEU HG   H   1.39 0.02 1 
      313 201 33 LEU C    C 174.86 0.3  1 
      314 201 33 LEU CA   C  52.88 0.3  1 
      315 201 33 LEU CB   C  39.77 0.3  1 
      316 201 33 LEU CD1  C  23.32 0.3  1 
      317 201 33 LEU CD2  C  19.27 0.3  1 
      318 201 33 LEU CG   C  24.45 0.3  1 
      319 201 33 LEU N    N 127.46 0.3  1 
      320 202 34 ASP H    H   7.42 0.02 1 
      321 202 34 ASP HA   H   4.67 0.02 1 
      322 202 34 ASP C    C 172.40 0.3  1 
      323 202 34 ASP CA   C  52.10 0.3  1 
      324 202 34 ASP CB   C  40.81 0.3  1 
      325 202 34 ASP N    N 114.90 0.3  1 
      326 203 35 SER H    H   9.02 0.02 1 
      327 203 35 SER HA   H   4.26 0.02 1 
      328 203 35 SER HB2  H   3.19 0.02 2 
      329 203 35 SER HB3  H   2.15 0.02 2 
      330 203 35 SER C    C 171.38 0.3  1 
      331 203 35 SER CA   C  54.28 0.3  1 
      332 203 35 SER CB   C  59.71 0.3  1 
      333 203 35 SER N    N 123.91 0.3  1 
      334 204 36 SER H    H   8.53 0.02 1 
      335 204 36 SER HA   H   3.98 0.02 1 
      336 204 36 SER HB2  H   3.88 0.02 2 
      337 204 36 SER HB3  H   3.85 0.02 2 
      338 204 36 SER C    C 172.84 0.3  1 
      339 204 36 SER CA   C  59.36 0.3  1 
      340 204 36 SER CB   C  60.71 0.3  1 
      341 204 36 SER N    N 118.78 0.3  1 
      342 205 37 GLU H    H   8.82 0.02 1 
      343 205 37 GLU HA   H   4.56 0.02 1 
      344 205 37 GLU HG2  H   2.38 0.02 2 
      345 205 37 GLU HG3  H   2.27 0.02 2 
      346 205 37 GLU C    C 173.90 0.3  1 
      347 205 37 GLU CA   C  52.94 0.3  1 
      348 205 37 GLU CB   C  27.15 0.3  1 
      349 205 37 GLU CG   C  34.09 0.3  1 
      350 205 37 GLU N    N 122.89 0.3  1 
      351 206 38 ILE H    H   8.15 0.02 1 
      352 206 38 ILE HA   H   3.76 0.02 1 
      353 206 38 ILE HB   H   1.51 0.02 1 
      354 206 38 ILE HD1  H   0.73 0.02 1 
      355 206 38 ILE HG12 H   1.34 0.02 2 
      356 206 38 ILE HG13 H   1.02 0.02 2 
      357 206 38 ILE HG2  H   0.22 0.02 1 
      358 206 38 ILE C    C 176.06 0.3  1 
      359 206 38 ILE CA   C  62.05 0.3  1 
      360 206 38 ILE CB   C  35.42 0.3  1 
      361 206 38 ILE CD1  C   9.91 0.3  1 
      362 206 38 ILE CG1  C  25.11 0.3  1 
      363 206 38 ILE CG2  C  13.77 0.3  1 
      364 206 38 ILE N    N 116.81 0.3  1 
      365 207 39 HIS H    H   8.44 0.02 1 
      366 207 39 HIS HA   H   4.15 0.02 1 
      367 207 39 HIS HB2  H   2.94 0.02 2 
      368 207 39 HIS HB3  H   2.78 0.02 2 
      369 207 39 HIS HD1  H   6.62 0.02 1 
      370 207 39 HIS HD2  H   6.77 0.02 1 
      371 207 39 HIS HE1  H   7.57 0.02 1 
      372 207 39 HIS C    C 173.02 0.3  1 
      373 207 39 HIS CA   C  55.69 0.3  1 
      374 207 39 HIS CB   C  29.14 0.3  1 
      375 207 39 HIS CD2  C 117.92 0.3  1 
      376 207 39 HIS CE1  C 135.93 0.3  1 
      377 207 39 HIS N    N 116.60 0.3  1 
      378 208 40 TRP H    H   7.10 0.02 1 
      379 208 40 TRP HA   H   4.81 0.02 1 
      380 208 40 TRP HB2  H   2.86 0.02 2 
      381 208 40 TRP HB3  H   2.68 0.02 2 
      382 208 40 TRP HD1  H   7.03 0.02 1 
      383 208 40 TRP HE1  H  10.27 0.02 1 
      384 208 40 TRP HE3  H   6.90 0.02 1 
      385 208 40 TRP HH2  H   7.08 0.02 1 
      386 208 40 TRP HZ2  H   7.27 0.02 1 
      387 208 40 TRP HZ3  H   6.48 0.02 1 
      388 208 40 TRP C    C 171.20 0.3  1 
      389 208 40 TRP CA   C  53.66 0.3  1 
      390 208 40 TRP CB   C  29.83 0.3  1 
      391 208 40 TRP CD1  C 124.72 0.3  1 
      392 208 40 TRP CE3  C 115.99 0.3  1 
      393 208 40 TRP CH2  C 122.36 0.3  1 
      394 208 40 TRP CZ2  C 111.96 0.3  1 
      395 208 40 TRP CZ3  C 118.22 0.3  1 
      396 208 40 TRP N    N 119.39 0.3  1 
      397 208 40 TRP NE1  N 128.69 0.3  1 
      398 209 41 TRP H    H   9.27 0.02 1 
      399 209 41 TRP HA   H   5.39 0.02 1 
      400 209 41 TRP HB2  H   2.86 0.02 2 
      401 209 41 TRP HB3  H   2.67 0.02 2 
      402 209 41 TRP HD1  H   7.19 0.02 1 
      403 209 41 TRP HE1  H   9.65 0.02 1 
      404 209 41 TRP HE3  H   7.00 0.02 1 
      405 209 41 TRP HH2  H   7.08 0.02 1 
      406 209 41 TRP HZ2  H   7.43 0.02 1 
      407 209 41 TRP HZ3  H   6.60 0.02 1 
      408 209 41 TRP C    C 172.02 0.3  1 
      409 209 41 TRP CA   C  50.60 0.3  1 
      410 209 41 TRP CB   C  29.62 0.3  1 
      411 209 41 TRP CD1  C 121.21 0.3  1 
      412 209 41 TRP CE3  C 117.63 0.3  1 
      413 209 41 TRP CH2  C 122.02 0.3  1 
      414 209 41 TRP CZ2  C 111.84 0.3  1 
      415 209 41 TRP CZ3  C 118.21 0.3  1 
      416 209 41 TRP N    N 123.79 0.3  1 
      417 209 41 TRP NE1  N 128.46 0.3  1 
      418 210 42 ARG H    H   8.80 0.02 1 
      419 210 42 ARG HA   H   4.42 0.02 1 
      420 210 42 ARG HB2  H   1.62 0.02 2 
      421 210 42 ARG HB3  H   1.22 0.02 2 
      422 210 42 ARG HG2  H   1.00 0.02 2 
      423 210 42 ARG HG3  H   0.74 0.02 2 
      424 210 42 ARG C    C 172.58 0.3  1 
      425 210 42 ARG CA   C  53.18 0.3  1 
      426 210 42 ARG CB   C  29.28 0.3  1 
      427 210 42 ARG CD   C  40.33 0.3  1 
      428 210 42 ARG CG   C  25.80 0.3  1 
      429 210 42 ARG N    N 123.29 0.3  1 
      430 210 42 ARG NH1  N  83.17 0.3  1 
      431 211 43 VAL H    H   8.89 0.02 1 
      432 211 43 VAL HA   H   5.36 0.02 1 
      433 211 43 VAL HB   H   2.01 0.02 1 
      434 211 43 VAL HG1  H   0.75 0.02 1 
      435 211 43 VAL HG2  H   0.56 0.02 1 
      436 211 43 VAL C    C 170.44 0.3  1 
      437 211 43 VAL CA   C  56.19 0.3  1 
      438 211 43 VAL CB   C  34.09 0.3  1 
      439 211 43 VAL CG1  C  20.18 0.3  1 
      440 211 43 VAL CG2  C  16.32 0.3  1 
      441 211 43 VAL N    N 121.46 0.3  1 
      442 212 44 GLN H    H   8.91 0.02 1 
      443 212 44 GLN HA   H   5.62 0.02 1 
      444 212 44 GLN HB2  H   2.11 0.02 2 
      445 212 44 GLN HB3  H   1.88 0.02 2 
      446 212 44 GLN HE21 H   7.58 0.02 1 
      447 212 44 GLN HE22 H   6.59 0.02 1 
      448 212 44 GLN HG2  H   2.76 0.02 2 
      449 212 44 GLN HG3  H   2.04 0.02 2 
      450 212 44 GLN C    C 172.90 0.3  1 
      451 212 44 GLN CA   C  50.83 0.3  1 
      452 212 44 GLN CB   C  32.45 0.3  1 
      453 212 44 GLN CG   C  31.60 0.3  1 
      454 212 44 GLN N    N 119.22 0.3  1 
      455 212 44 GLN NE2  N 111.64 0.3  1 
      456 213 45 ASP H    H   9.17 0.02 1 
      457 213 45 ASP HA   H   4.97 0.02 1 
      458 213 45 ASP HB2  H   3.52 0.02 2 
      459 213 45 ASP HB3  H   2.88 0.02 2 
      460 213 45 ASP C    C 175.51 0.3  1 
      461 213 45 ASP CA   C  49.92 0.3  1 
      462 213 45 ASP CB   C  40.39 0.3  1 
      463 213 45 ASP N    N 125.57 0.3  1 
      464 214 46 LYS H    H   8.86 0.02 1 
      465 214 46 LYS HA   H   4.10 0.02 1 
      466 214 46 LYS HB2  H   1.89 0.02 2 
      467 214 46 LYS HB3  H   1.71 0.02 2 
      468 214 46 LYS C    C 174.13 0.3  1 
      469 214 46 LYS CA   C  55.74 0.3  1 
      470 214 46 LYS CB   C  28.87 0.3  1 
      471 214 46 LYS CD   C  26.47 0.3  1 
      472 214 46 LYS CE   C  39.26 0.3  1 
      473 214 46 LYS CG   C  22.39 0.3  1 
      474 214 46 LYS N    N 117.28 0.3  1 
      475 215 47 ASN H    H   8.24 0.02 1 
      476 215 47 ASN HA   H   4.80 0.02 1 
      477 215 47 ASN HB2  H   2.76 0.02 2 
      478 215 47 ASN HB3  H   2.55 0.02 2 
      479 215 47 ASN HD21 H   7.73 0.02 1 
      480 215 47 ASN HD22 H   6.90 0.02 1 
      481 215 47 ASN C    C 172.46 0.3  1 
      482 215 47 ASN CA   C  50.40 0.3  1 
      483 215 47 ASN CB   C  37.10 0.3  1 
      484 215 47 ASN N    N 117.03 0.3  1 
      485 215 47 ASN ND2  N 114.46 0.3  1 
      486 216 48 GLY H    H   7.96 0.02 1 
      487 216 48 GLY HA2  H   4.10 0.02 2 
      488 216 48 GLY HA3  H   3.41 0.02 2 
      489 216 48 GLY C    C 171.67 0.3  1 
      490 216 48 GLY CA   C  42.75 0.3  1 
      491 216 48 GLY N    N 107.55 0.3  1 
      492 217 49 HIS H    H   8.49 0.02 1 
      493 217 49 HIS HA   H   4.59 0.02 1 
      494 217 49 HIS HB2  H   3.21 0.02 2 
      495 217 49 HIS HB3  H   3.07 0.02 2 
      496 217 49 HIS HD1  H   7.69 0.02 1 
      497 217 49 HIS HD2  H   7.16 0.02 1 
      498 217 49 HIS HE1  H   8.06 0.02 1 
      499 217 49 HIS C    C 171.14 0.3  1 
      500 217 49 HIS CA   C  53.48 0.3  1 
      501 217 49 HIS CB   C  26.84 0.3  1 
      502 217 49 HIS CD2  C 117.56 0.3  1 
      503 217 49 HIS CE1  C 134.25 0.3  1 
      504 217 49 HIS N    N 123.11 0.3  1 
      505 218 50 GLU H    H   8.60 0.02 1 
      506 218 50 GLU HA   H   5.68 0.02 1 
      507 218 50 GLU HB2  H   1.85 0.02 2 
      508 218 50 GLU HB3  H   1.72 0.02 2 
      509 218 50 GLU C    C 173.37 0.3  1 
      510 218 50 GLU CA   C  51.36 0.3  1 
      511 218 50 GLU CB   C  32.05 0.3  1 
      512 218 50 GLU CG   C  33.54 0.3  1 
      513 218 50 GLU N    N 120.32 0.3  1 
      514 219 51 GLY H    H   8.50 0.02 1 
      515 219 51 GLY HA2  H   3.81 0.02 2 
      516 219 51 GLY HA3  H   3.65 0.02 2 
      517 219 51 GLY C    C 167.98 0.3  1 
      518 219 51 GLY CA   C  42.69 0.3  1 
      519 219 51 GLY N    N 106.29 0.3  1 
      520 220 52 TYR H    H   8.82 0.02 1 
      521 220 52 TYR HA   H   5.22 0.02 1 
      522 220 52 TYR HB2  H   2.85 0.02 2 
      523 220 52 TYR HB3  H   2.35 0.02 2 
      524 220 52 TYR C    C 172.61 0.3  1 
      525 220 52 TYR CA   C  56.52 0.3  1 
      526 220 52 TYR CB   C  38.57 0.3  1 
      527 220 52 TYR N    N 118.14 0.3  1 
      528 221 53 ALA H    H   9.36 0.02 1 
      529 221 53 ALA HA   H   4.75 0.02 1 
      530 221 53 ALA HB   H   1.08 0.02 1 
      531 221 53 ALA CA   C  47.01 0.3  1 
      532 221 53 ALA CB   C  18.81 0.3  1 
      533 221 53 ALA N    N 122.38 0.3  1 
      534 222 54 PRO HA   H   3.36 0.02 1 
      535 222 54 PRO HB2  H   1.06 0.02 2 
      536 222 54 PRO HB3  H   1.03 0.02 2 
      537 222 54 PRO HD2  H   2.25 0.02 2 
      538 222 54 PRO HD3  H   1.99 0.02 2 
      539 222 54 PRO HG2  H   0.21 0.02 2 
      540 222 54 PRO HG3  H   0.18 0.02 2 
      541 222 54 PRO C    C 175.57 0.3  1 
      542 222 54 PRO CA   C  58.95 0.3  1 
      543 222 54 PRO CB   C  28.14 0.3  1 
      544 222 54 PRO CD   C  46.72 0.3  1 
      545 222 54 PRO CG   C  24.39 0.3  1 
      546 223 55 SER H    H   7.52 0.02 1 
      547 223 55 SER HA   H   2.61 0.02 1 
      548 223 55 SER HB2  H   1.76 0.02 2 
      549 223 55 SER HB3  H   1.58 0.02 2 
      550 223 55 SER C    C 173.66 0.3  1 
      551 223 55 SER CA   C  57.51 0.3  1 
      552 223 55 SER CB   C  57.45 0.3  1 
      553 223 55 SER N    N 121.83 0.3  1 
      554 224 56 SER H    H   8.11 0.02 1 
      555 224 56 SER HA   H   3.99 0.02 1 
      556 224 56 SER HB2  H   3.73 0.02 2 
      557 224 56 SER HB3  H   3.80 0.02 2 
      558 224 56 SER C    C 172.67 0.3  1 
      559 224 56 SER CA   C  57.61 0.3  1 
      560 224 56 SER CB   C  60.27 0.3  1 
      561 224 56 SER N    N 115.29 0.3  1 
      562 225 57 TYR H    H   7.40 0.02 1 
      563 225 57 TYR HA   H   4.44 0.02 1 
      564 225 57 TYR HB2  H   3.10 0.02 2 
      565 225 57 TYR HB3  H   2.80 0.02 2 
      566 225 57 TYR C    C 171.35 0.3  1 
      567 225 57 TYR CA   C  55.16 0.3  1 
      568 225 57 TYR CB   C  35.60 0.3  1 
      569 225 57 TYR N    N 121.55 0.3  1 
      570 226 58 LEU H    H   7.33 0.02 1 
      571 226 58 LEU HA   H   5.24 0.02 1 
      572 226 58 LEU HB2  H   1.63 0.02 2 
      573 226 58 LEU HB3  H   1.06 0.02 2 
      574 226 58 LEU HD1  H   0.62 0.02 1 
      575 226 58 LEU HD2  H   0.56 0.02 1 
      576 226 58 LEU HG   H   1.28 0.02 1 
      577 226 58 LEU C    C 172.26 0.3  1 
      578 226 58 LEU CA   C  51.25 0.3  1 
      579 226 58 LEU CB   C  44.76 0.3  1 
      580 226 58 LEU CD1  C  25.09 0.3  1 
      581 226 58 LEU CD2  C  20.55 0.3  1 
      582 226 58 LEU CG   C  23.34 0.3  1 
      583 226 58 LEU N    N 120.81 0.3  1 
      584 227 59 VAL H    H   8.50 0.02 1 
      585 227 59 VAL HA   H   4.59 0.02 1 
      586 227 59 VAL HB   H   1.94 0.02 1 
      587 227 59 VAL HG1  H   0.93 0.02 1 
      588 227 59 VAL HG2  H   0.80 0.02 1 
      589 227 59 VAL C    C 171.70 0.3  1 
      590 227 59 VAL CA   C  56.85 0.3  1 
      591 227 59 VAL CB   C  33.19 0.3  1 
      592 227 59 VAL CG1  C  18.10 0.3  1 
      593 227 59 VAL CG2  C  18.26 0.3  1 
      594 227 59 VAL N    N 115.55 0.3  1 
      595 228 60 GLU H    H   8.91 0.02 1 
      596 228 60 GLU HA   H   4.30 0.02 1 
      597 228 60 GLU HG2  H   2.19 0.02 2 
      598 228 60 GLU HG3  H   2.08 0.02 2 
      599 228 60 GLU C    C 173.57 0.3  1 
      600 228 60 GLU CA   C  55.28 0.3  1 
      601 228 60 GLU CB   C  27.61 0.3  1 
      602 228 60 GLU CG   C  34.37 0.3  1 
      603 228 60 GLU N    N 124.94 0.3  1 
      604 229 61 LYS H    H   8.31 0.02 1 
      605 229 61 LYS HA   H   4.07 0.02 1 
      606 229 61 LYS HB2  H   1.67 0.02 2 
      607 229 61 LYS HB3  H   1.26 0.02 2 
      608 229 61 LYS HD2  H   1.45 0.02 2 
      609 229 61 LYS HD3  H   1.42 0.02 2 
      610 229 61 LYS HE2  H   2.80 0.02 2 
      611 229 61 LYS HE3  H   2.76 0.02 2 
      612 229 61 LYS C    C 173.40 0.3  1 
      613 229 61 LYS CA   C  54.22 0.3  1 
      614 229 61 LYS CB   C  31.39 0.3  1 
      615 229 61 LYS CD   C  27.44 0.3  1 
      616 229 61 LYS CE   C  39.58 0.3  1 
      617 229 61 LYS CG   C  22.68 0.3  1 
      618 229 61 LYS N    N 125.78 0.3  1 
      619 230 62 SER H    H   8.55 0.02 1 
      620 230 62 SER HA   H   4.67 0.02 1 
      621 230 62 SER HB2  H   3.79 0.02 2 
      622 230 62 SER HB3  H   3.72 0.02 2 
      623 230 62 SER CA   C  53.68 0.3  1 
      624 230 62 SER CB   C  60.67 0.3  1 
      625 230 62 SER N    N 121.05 0.3  1 
      626 231 63 PRO HA   H   4.35 0.02 1 
      627 231 63 PRO HB2  H   2.14 0.02 2 
      628 231 63 PRO HB3  H   1.89 0.02 2 
      629 231 63 PRO HD2  H   3.63 0.02 2 
      630 231 63 PRO HD3  H   3.59 0.02 2 
      631 231 63 PRO C    C 173.19 0.3  1 
      632 231 63 PRO CA   C  60.82 0.3  1 
      633 231 63 PRO CB   C  29.42 0.3  1 
      634 231 63 PRO CD   C  48.10 0.3  1 
      635 231 63 PRO CG   C  24.53 0.3  1 

   stop_

save_