data_6829

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

save_entry_information
   _Saveframe_category      entry_information

   _Entry_title            
;
Chemical shift assignments for Chitin-binding Domain of Hyperthermophilic
Chitinase from Pyrococcus furiosus
;
   _BMRB_accession_number   6829
   _BMRB_flat_file_name     bmr6829.str
   _Entry_type              original
   _Submission_date         2005-09-20
   _Accession_date          2005-09-20
   _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 Uegaki  Koichi   . . 
      2 Ikegami Takahisa . . 

   stop_

   loop_
      _Saveframe_category_type
      _Saveframe_category_type_count

      assigned_chemical_shifts 1 

   stop_

   loop_
      _Data_type
      _Data_type_count

      "1H chemical shifts"  552 
      "13C chemical shifts" 429 
      "15N chemical shifts" 110 

   stop_

   loop_
      _Revision_date
      _Revision_keyword
      _Revision_author
      _Revision_detail

      2007-02-09 update   BMRB   'complete entry citation' 
      2006-10-17 original author 'original release'        

   stop_

save_


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

save_entry_citation
   _Saveframe_category           entry_citation

   _Citation_full                .
   _Citation_title              
;
NMR assignment of the chitin-binding domain of a hyperthermophilic chitinase
from Pyrococcus furiosus
;
   _Citation_status              published
   _Citation_type                journal
   _CAS_abstract_code            .
   _MEDLINE_UI_code              .
   _PubMed_ID                    17016669

   loop_
      _Author_ordinal
      _Author_family_name
      _Author_given_name
      _Author_middle_initials
      _Author_family_title

      1 Mine     Shouhei   . . 
      2 Nakamura Tsutomu   . . 
      3 Hagihara Yoshihisa . . 
      4 Ishikawa Kazuhiko  . . 
      5 Ikegami  Takahisa  . . 
      6 Uegaki   Koichi    . . 

   stop_

   _Journal_abbreviation        'J. Biomol. NMR'
   _Journal_volume               36
   _Journal_issue               'Suppl. 5'
   _Journal_CSD                  .
   _Book_chapter_title           .
   _Book_volume                  .
   _Book_series                  .
   _Book_ISBN                    .
   _Conference_state_province    .
   _Conference_abstract_number   .
   _Page_first                   70
   _Page_last                    70
   _Year                         2006
   _Details                      .

   loop_
      _Keyword

      NMR       
      Structure 

   stop_

save_


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

save_assembly
   _Saveframe_category         molecular_system

   _Mol_system_name           'Chitin binding domain'
   _Enzyme_commission_number   3.2.1.14

   loop_
      _Mol_system_component_name
      _Mol_label

      'Chitin binding domain' $Chitin_binding_domain_of_chitinase 

   stop_

   _System_molecular_weight    10957
   _System_physical_state      native
   _System_oligomer_state      ?
   _System_paramagnetic        no
   _System_thiol_state        'not present'

   loop_
      _Biological_function

      'chitin binding' 

   stop_

   _Database_query_date        .
   _Details                    monomer

save_


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

save_Chitin_binding_domain_of_chitinase
   _Saveframe_category                          monomeric_polymer

   _Mol_type                                    polymer
   _Mol_polymer_class                           protein
   _Name_common                                'Chitin binding domain'
   _Molecular_mass                              10957
   _Mol_thiol_state                            'not present'
   _Details                                     .

   	##############################
   	#  Polymer residue sequence  #
   	##############################
   
      _Residue_count                               103
   _Mol_residue_sequence                       
;
GPTTPVPVSGSLEVKVNDWG
SGAEYDVTLNLDGQYDWTVK
VKLAPGATVGSFWSANKQEG
NGYVIFTPVSWNKGPTATFG
FIVNGPQGDKVEEITLEING
QVI
;

   loop_
      _Residue_seq_code
      _Residue_author_seq_code
      _Residue_label

        1 256 GLY    2 257 PRO    3 258 THR    4 259 THR    5 260 PRO 
        6 261 VAL    7 262 PRO    8 263 VAL    9 264 SER   10 265 GLY 
       11 266 SER   12 267 LEU   13 268 GLU   14 269 VAL   15 270 LYS 
       16 271 VAL   17 272 ASN   18 273 ASP   19 274 TRP   20 275 GLY 
       21 276 SER   22 277 GLY   23 278 ALA   24 279 GLU   25 280 TYR 
       26 281 ASP   27 282 VAL   28 283 THR   29 284 LEU   30 285 ASN 
       31 286 LEU   32 287 ASP   33 288 GLY   34 289 GLN   35 290 TYR 
       36 291 ASP   37 292 TRP   38 293 THR   39 294 VAL   40 295 LYS 
       41 296 VAL   42 297 LYS   43 298 LEU   44 299 ALA   45 300 PRO 
       46 301 GLY   47 302 ALA   48 303 THR   49 304 VAL   50 305 GLY 
       51 306 SER   52 307 PHE   53 308 TRP   54 309 SER   55 310 ALA 
       56 311 ASN   57 312 LYS   58 313 GLN   59 314 GLU   60 315 GLY 
       61 316 ASN   62 317 GLY   63 318 TYR   64 319 VAL   65 320 ILE 
       66 321 PHE   67 322 THR   68 323 PRO   69 324 VAL   70 325 SER 
       71 326 TRP   72 327 ASN   73 328 LYS   74 329 GLY   75 330 PRO 
       76 331 THR   77 332 ALA   78 333 THR   79 334 PHE   80 335 GLY 
       81 336 PHE   82 337 ILE   83 338 VAL   84 339 ASN   85 340 GLY 
       86 341 PRO   87 342 GLN   88 343 GLY   89 344 ASP   90 345 LYS 
       91 346 VAL   92 347 GLU   93 348 GLU   94 349 ILE   95 350 THR 
       96 351 LEU   97 352 GLU   98 353 ILE   99 354 ASN  100 355 GLY 
      101 356 GLN  102 357 VAL  103 358 ILE 

   stop_

   _Sequence_homology_query_date                .
   _Sequence_homology_query_revised_last_date   2015-01-28

   loop_
      _Database_name
      _Database_accession_code
      _Database_entry_mol_name
      _Sequence_query_to_submitted_percentage
      _Sequence_subject_length
      _Sequence_identity
      _Sequence_positive
      _Sequence_homology_expectation_value

      PDB 2CWR         "Crystal Structure Of Chitin Biding Domain Of Chitinase From Pyrococcus Furiosus"                         100.00 103 100.00 100.00 2.63e-65 
      PDB 2CZN         "Solution Structure Of The Chitin-Binding Domain Of Hyperthermophilic Chitinase From Pyrococcus Furiosus" 100.00 103 100.00 100.00 2.63e-65 
      GB  AAL81357     "putative chitinase [Pyrococcus furiosus DSM 3638]"                                                        98.06 717 100.00 100.00 4.73e-59 
      GB  AFN04020     "chitinase [Pyrococcus furiosus COM1]"                                                                     98.06 717 100.00 100.00 4.73e-59 
      REF NP_578962    "chitinase [Pyrococcus furiosus DSM 3638]"                                                                 98.06 717 100.00 100.00 4.73e-59 
      REF WP_011012376 "chitinase [Pyrococcus furiosus]"                                                                          98.06 717 100.00 100.00 4.73e-59 
      REF YP_006492312 "chitinase [Pyrococcus furiosus COM1]"                                                                     98.06 717 100.00 100.00 4.73e-59 

   stop_

save_


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

save_natural_source
   _Saveframe_category   natural_source


   loop_
      _Mol_label
      _Organism_name_common
      _NCBI_taxonomy_ID
      _Superkingdom
      _Kingdom
      _Genus
      _Species

      $Chitin_binding_domain_of_chitinase 'Pyrococcus furiosus' 2261 Archaea 'Not applicable' Pyrococcus furiosus 

   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

      $Chitin_binding_domain_of_chitinase 'recombinant technology' 'E. coli' . . . . 

   stop_

save_


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

save_sample_1
   _Saveframe_category   sample

   _Sample_type          solution
   _Details              .

   loop_
      _Mol_label
      _Concentration_value
      _Concentration_value_units
      _Isotopic_labeling

      $Chitin_binding_domain_of_chitinase  1.8 mM '[U-95% 13C; U-95% 15N]' 
      'KH2PO4 / K2HPO4'                   20   mM  .                       
       NaCl                               25   mM  .                       

   stop_

save_


save_sample_2
   _Saveframe_category   sample

   _Sample_type          solution
   _Details              .

   loop_
      _Mol_label
      _Concentration_value
      _Concentration_value_units
      _Isotopic_labeling

      $Chitin_binding_domain_of_chitinase  1.8 mM '[U-10% 13C]' 
      'KH2PO4 / K2HPO4'                   20   mM  .            
       NaCl                               25   mM  .            

   stop_

save_


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

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

save_400MHz_spectrometer
   _Saveframe_category   NMR_spectrometer

   _Manufacturer         Bruker
   _Model                DRX
   _Field_strength       400
   _Details              .

save_


save_500MHz_spectrometer
   _Saveframe_category   NMR_spectrometer

   _Manufacturer         Bruker
   _Model                DRX
   _Field_strength       500
   _Details              .

save_


save_600MHz_spectrometer
   _Saveframe_category   NMR_spectrometer

   _Manufacturer         Bruker
   _Model                DRX
   _Field_strength       600
   _Details              .

save_


save_800MHz_spectrometer
   _Saveframe_category   NMR_spectrometer

   _Manufacturer         Bruker
   _Model                DRX
   _Field_strength       800
   _Details              .

save_


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

save_1H15N_HSQC_1
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name      1H15N_HSQC
   _Sample_label         .

save_


save_Homonuclear_TOCSY_2
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     'Homonuclear TOCSY'
   _Sample_label         .

save_


save_Homonuclear_NOESY_3
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     'Homonuclear NOESY'
   _Sample_label         .

save_


save_1H-13C_CT-HSQC_4
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '1H-13C CT-HSQC'
   _Sample_label         .

save_


save_CBCACOHN_5
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name      CBCACOHN
   _Sample_label         .

save_


save_CBCANH_6
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name      CBCANH
   _Sample_label         .

save_


save_HNCO_7
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name      HNCO
   _Sample_label         .

save_


save_HNCACO_8
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name      HNCACO
   _Sample_label         .

save_


save_CCONH_9
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name      CCONH
   _Sample_label         .

save_


save_HCCONH_10
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name      HCCONH
   _Sample_label         .

save_


save_HBHACONH_11
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name      HBHACONH
   _Sample_label         .

save_


save_HCCH-TOCSY_12
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name      HCCH-TOCSY
   _Sample_label         .

save_


save_(HB)CB(CGCD)HD_13
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name      (HB)CB(CGCD)HD
   _Sample_label         .

save_


save_(HB)CB(CGCDCE)HE_14
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name      (HB)CB(CGCDCE)HE
   _Sample_label         .

save_


save_1H-15N_NOESY-HSQC_15
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '1H-15N NOESY-HSQC'
   _Sample_label         .

save_


save_1H-13C_NOESY-HSQC_16
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '1H-13C NOESY-HSQC'
   _Sample_label         .

save_


save_1H15N_HSQC
   _Saveframe_category                     NMR_applied_experiment

   _Experiment_name                       '1H15N HSQC'
   _BMRB_pulse_sequence_accession_number   .
   _Details                                .

save_


save_Homonuclear_TOCSY
   _Saveframe_category                     NMR_applied_experiment

   _Experiment_name                       'Homonuclear TOCSY'
   _BMRB_pulse_sequence_accession_number   .
   _Details                                .

save_


save_Homonuclear_NOESY
   _Saveframe_category                     NMR_applied_experiment

   _Experiment_name                       'Homonuclear NOESY'
   _BMRB_pulse_sequence_accession_number   .
   _Details                                .

save_


save_1H-13C_CT-HSQC
   _Saveframe_category                     NMR_applied_experiment

   _Experiment_name                       '1H-13C CT-HSQC'
   _BMRB_pulse_sequence_accession_number   .
   _Details                                .

save_


save_CBCACOHN
   _Saveframe_category                     NMR_applied_experiment

   _Experiment_name                        CBCACOHN
   _BMRB_pulse_sequence_accession_number   .
   _Details                                .

save_


save_CBCANH
   _Saveframe_category                     NMR_applied_experiment

   _Experiment_name                        CBCANH
   _BMRB_pulse_sequence_accession_number   .
   _Details                                .

save_


save_HNCO
   _Saveframe_category                     NMR_applied_experiment

   _Experiment_name                        HNCO
   _BMRB_pulse_sequence_accession_number   .
   _Details                                .

save_


save_HNCACO
   _Saveframe_category                     NMR_applied_experiment

   _Experiment_name                        HNCACO
   _BMRB_pulse_sequence_accession_number   .
   _Details                                .

save_


save_CCONH
   _Saveframe_category                     NMR_applied_experiment

   _Experiment_name                        CCONH
   _BMRB_pulse_sequence_accession_number   .
   _Details                                .

save_


save_HCCONH
   _Saveframe_category                     NMR_applied_experiment

   _Experiment_name                        HCCONH
   _BMRB_pulse_sequence_accession_number   .
   _Details                                .

save_


save_HBHACONH
   _Saveframe_category                     NMR_applied_experiment

   _Experiment_name                        HBHACONH
   _BMRB_pulse_sequence_accession_number   .
   _Details                                .

save_


save_HCCH-TOCSY
   _Saveframe_category                     NMR_applied_experiment

   _Experiment_name                        HCCH-TOCSY
   _BMRB_pulse_sequence_accession_number   .
   _Details                                .

save_


save_(HB)CB(CGCD)HD
   _Saveframe_category                     NMR_applied_experiment

   _Experiment_name                        (HB)CB(CGCD)HD
   _BMRB_pulse_sequence_accession_number   .
   _Details                                .

save_


save_(HB)CB(CGCDCE)HE
   _Saveframe_category                     NMR_applied_experiment

   _Experiment_name                        (HB)CB(CGCDCE)HE
   _BMRB_pulse_sequence_accession_number   .
   _Details                                .

save_


save_1H-15N_NOESY-HSQC
   _Saveframe_category                     NMR_applied_experiment

   _Experiment_name                       '1H-15N NOESY-HSQC'
   _BMRB_pulse_sequence_accession_number   .
   _Details                                .

save_


save_1H-13C_NOESY-HSQC
   _Saveframe_category                     NMR_applied_experiment

   _Experiment_name                       '1H-13C NOESY-HSQC'
   _BMRB_pulse_sequence_accession_number   .
   _Details                                .

save_


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

save_conditions_1
   _Saveframe_category   sample_conditions

   _Details             '20 mM KH2PO4 / K2HPO4, 25 mM NaCl at pH 5.7'

   loop_
      _Variable_type
      _Variable_value
      _Variable_value_error
      _Variable_value_units

      pD            5.7 0.1 pH 
      temperature 303   0.2 K  

   stop_

save_


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

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

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

save_chemical_shift_referencing
   _Saveframe_category   chemical_shift_reference

   _Details              .

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

      DSS C 13 'methyl protons' ppm 0 external indirect . . . 0.251449530 $entry_citation $entry_citation 
      DSS H  1 'methyl protons' ppm 0 external indirect . . . 1.0         $entry_citation $entry_citation 
      DSS N 15 'methyl protons' ppm 0 external indirect . . . 0.101329118 $entry_citation $entry_citation 

   stop_

save_


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

###################################################################
#       Chemical Shift Ambiguity Index Value Definitions          #
#                                                                 #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains.                              #
#                                                                 #
#   Index Value            Definition                             #
#                                                                 #
#      1             Unique (including isolated methyl protons,   #
#                         geminal atoms, and geminal methyl       #
#                         groups with identical chemical shifts)  #
#                         (e.g. ILE HD11, HD12, HD13 protons)     #
#      2             Ambiguity of geminal atoms or geminal methyl #
#                         proton groups (e.g. ASP HB2 and HB3     #
#                         protons, LEU CD1 and CD2 carbons, or    #
#                         LEU HD11, HD12, HD13 and HD21, HD22,    #
#                         HD23 methyl protons)                    #
#      3             Aromatic atoms on opposite sides of          #
#                         symmetrical rings (e.g. TYR HE1 and HE2 #
#                         protons)                                #
#      4             Intraresidue ambiguities (e.g. LYS HG and    #
#                         HD protons or TRP HZ2 and HZ3 protons)  #
#      5             Interresidue ambiguities (LYS 12 vs. LYS 27) #
#      6             Intermolecular ambiguities (e.g. ASP 31 CA   #
#                         in monomer 1 and ASP 31 CA in monomer 2 #
#                         of an asymmetrical homodimer, duplex    #
#                         DNA assignments, or other assignments   #
#                         that may apply to atoms in one or more  #
#                         molecule in the molecular assembly)     #
#      9             Ambiguous, specific ambiguity not defined    #
#                                                                 #
###################################################################
save_chem_shift_list_1
   _Saveframe_category               assigned_chemical_shifts

   _Details                          .

   loop_
      _Sample_label

      $sample_1 

   stop_

   _Sample_conditions_label         $conditions_1
   _Chem_shift_reference_set_label  $chemical_shift_referencing
   _Mol_system_component_name       'Chitin binding 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

         1 256   1 GLY HA2  H   3.586 0.001 2 
         2 256   1 GLY HA3  H   3.963 0.014 2 
         3 256   1 GLY CA   C  43.028 0.099 1 
         4 257   2 PRO HA   H   4.538 0.004 1 
         5 257   2 PRO HB2  H   1.967 0.019 2 
         6 257   2 PRO HB3  H   2.284 0.004 2 
         7 257   2 PRO HG2  H   2     0.003 2 
         8 257   2 PRO HD2  H   3.583 0.017 2 
         9 257   2 PRO HD3  H   3.604 0.01  2 
        10 257   2 PRO C    C 177.055 0.001 1 
        11 257   2 PRO CA   C  63.093 0.062 1 
        12 257   2 PRO CB   C  32.308 0.047 1 
        13 257   2 PRO CG   C  27.088 0.092 1 
        14 257   2 PRO CD   C  49.649 0.058 1 
        15 258   3 THR H    H   8.341 0.008 1 
        16 258   3 THR HA   H   4.375 0.006 1 
        17 258   3 THR HB   H   4.217 0.006 1 
        18 258   3 THR HG2  H   1.199 0.004 1 
        19 258   3 THR C    C 174.463 0.003 1 
        20 258   3 THR CA   C  61.944 0.11  1 
        21 258   3 THR CB   C  69.778 0.122 1 
        22 258   3 THR CG2  C  21.817 0.101 1 
        23 258   3 THR N    N 114.603 0.028 1 
        24 259   4 THR H    H   8.179 0.01  1 
        25 259   4 THR HA   H   4.668 0.004 1 
        26 259   4 THR HB   H   4.142 0.005 1 
        27 259   4 THR HG2  H   1.211 0.004 1 
        28 259   4 THR C    C 172.679 0.08  1 
        29 259   4 THR CA   C  59.366 0.077 1 
        30 259   4 THR CB   C  69.793 0.029 1 
        31 259   4 THR CG2  C  21.463 0.068 1 
        32 259   4 THR N    N 118.857 0.043 1 
        33 260   5 PRO HA   H   4.434 0.008 1 
        34 260   5 PRO HB2  H   1.871 0.008 2 
        35 260   5 PRO HB3  H   2.255 0.005 2 
        36 260   5 PRO HG2  H   1.971 0.033 2 
        37 260   5 PRO HD2  H   3.729 0.024 2 
        38 260   5 PRO HD3  H   3.813 0.01  2 
        39 260   5 PRO C    C 176.469 0.001 1 
        40 260   5 PRO CA   C  63.091 0.074 1 
        41 260   5 PRO CB   C  32.086 0.062 1 
        42 260   5 PRO CG   C  27.397 0.089 1 
        43 260   5 PRO CD   C  51.13  0.053 1 
        44 261   6 VAL H    H   8.107 0.012 1 
        45 261   6 VAL HA   H   4.377 0.003 1 
        46 261   6 VAL HB   H   2.032 0.005 1 
        47 261   6 VAL HG1  H   0.955 0.006 1 
        48 261   6 VAL HG2  H   0.94  0.006 1 
        49 261   6 VAL C    C 174.461 0.08  1 
        50 261   6 VAL CA   C  59.787 0.028 1 
        51 261   6 VAL CB   C  32.728 0.054 1 
        52 261   6 VAL CG1  C  21.008 0.066 1 
        53 261   6 VAL CG2  C  20.455 0.231 1 
        54 261   6 VAL N    N 121.602 0.054 1 
        55 262   7 PRO HA   H   4.45  0.012 1 
        56 262   7 PRO HB2  H   1.894 0.015 2 
        57 262   7 PRO HB3  H   2.241 0.009 2 
        58 262   7 PRO HG2  H   1.994 0.008 2 
        59 262   7 PRO HD2  H   3.637 0.018 2 
        60 262   7 PRO HD3  H   3.846 0.011 2 
        61 262   7 PRO C    C 176.635 0.001 1 
        62 262   7 PRO CA   C  63.172 0.107 1 
        63 262   7 PRO CB   C  32.037 0.032 1 
        64 262   7 PRO CG   C  27.426 0.089 1 
        65 262   7 PRO CD   C  51.115 0.048 1 
        66 263   8 VAL H    H   8.161 0.011 1 
        67 263   8 VAL HA   H   4.185 0.008 1 
        68 263   8 VAL HB   H   1.968 0.006 1 
        69 263   8 VAL HG1  H   0.833 0.016 1 
        70 263   8 VAL HG2  H   0.868 0.003 1 
        71 263   8 VAL C    C 175.999 0.001 1 
        72 263   8 VAL CA   C  62.141 0.062 1 
        73 263   8 VAL CB   C  33.236 0.041 1 
        74 263   8 VAL CG1  C  21.144 0.093 1 
        75 263   8 VAL CG2  C  20.628 0.122 1 
        76 263   8 VAL N    N 120.234 0.037 1 
        77 264   9 SER H    H   8.118 0.005 1 
        78 264   9 SER HA   H   4.544 0.005 1 
        79 264   9 SER HB2  H   3.764 0.001 2 
        80 264   9 SER C    C 173.718 0.005 1 
        81 264   9 SER CA   C  57.885 0.109 1 
        82 264   9 SER CB   C  64.213 0.086 1 
        83 264   9 SER N    N 118.45  0.047 1 
        84 265  10 GLY H    H   8.151 0.011 1 
        85 265  10 GLY HA2  H   3.923 0.007 2 
        86 265  10 GLY HA3  H   4.231 0.01  2 
        87 265  10 GLY C    C 172.631 0.001 1 
        88 265  10 GLY CA   C  45.177 0.054 1 
        89 265  10 GLY N    N 109.983 0.034 1 
        90 266  11 SER H    H   8.214 0.005 1 
        91 266  11 SER HA   H   4.56  0.007 1 
        92 266  11 SER HB2  H   3.778 0.005 2 
        93 266  11 SER C    C 171.802 0.005 1 
        94 266  11 SER CA   C  58.34  0.124 1 
        95 266  11 SER CB   C  64.779 0.283 1 
        96 266  11 SER N    N 113.751 0.035 1 
        97 267  12 LEU H    H   8.062 0.007 1 
        98 267  12 LEU HA   H   4.926 0.009 1 
        99 267  12 LEU HB2  H   1.317 0.007 2 
       100 267  12 LEU HB3  H   1.561 0.01  2 
       101 267  12 LEU HG   H   1.323 0.022 1 
       102 267  12 LEU HD1  H   1.33  0.008 1 
       103 267  12 LEU HD2  H   0.647 0.012 1 
       104 267  12 LEU C    C 175.057 0.006 1 
       105 267  12 LEU CA   C  53.944 0.099 1 
       106 267  12 LEU CB   C  45.287 0.044 1 
       107 267  12 LEU CG   C  26.969 0.192 1 
       108 267  12 LEU CD1  C  27.368 0.124 1 
       109 267  12 LEU CD2  C  26.051 0.155 1 
       110 267  12 LEU N    N 121.908 0.058 1 
       111 268  13 GLU H    H   8.991 0.005 1 
       112 268  13 GLU HA   H   4.637 0.008 1 
       113 268  13 GLU HB2  H   1.822 0.006 2 
       114 268  13 GLU HB3  H   1.962 0.036 2 
       115 268  13 GLU HG2  H   2.093 0.012 2 
       116 268  13 GLU C    C 174.337 0.002 1 
       117 268  13 GLU CA   C  54.849 0.078 1 
       118 268  13 GLU CB   C  32.743 0.047 1 
       119 268  13 GLU CG   C  36.035 0.124 1 
       120 268  13 GLU N    N 125.877 0.03  1 
       121 269  14 VAL H    H   8.661 0.009 1 
       122 269  14 VAL HA   H   4.766 0.01  1 
       123 269  14 VAL HB   H   1.863 0.007 1 
       124 269  14 VAL HG1  H   0.777 0.007 1 
       125 269  14 VAL HG2  H   0.802 0.008 1 
       126 269  14 VAL C    C 174.39  0.005 1 
       127 269  14 VAL CA   C  60.614 0.06  1 
       128 269  14 VAL CB   C  34.847 0.051 1 
       129 269  14 VAL CG1  C  21.209 0.037 1 
       130 269  14 VAL CG2  C  21.788 0.063 1 
       131 269  14 VAL N    N 123.427 0.074 1 
       132 270  15 LYS H    H   8.657 0.007 1 
       133 270  15 LYS HA   H   4.62  0.006 1 
       134 270  15 LYS HB2  H   1.694 0.013 2 
       135 270  15 LYS HB3  H   1.807 0.016 2 
       136 270  15 LYS HG2  H   1.331 0.005 2 
       137 270  15 LYS HG3  H   1.43  0.004 2 
       138 270  15 LYS HD2  H   1.428 0.004 1 
       139 270  15 LYS HD3  H   1.428 0.004 1 
       140 270  15 LYS HE2  H   2.995 0.003 1 
       141 270  15 LYS C    C 174.53  0.031 1 
       142 270  15 LYS CA   C  54.76  0.048 1 
       143 270  15 LYS CB   C  34.884 0.095 1 
       144 270  15 LYS CG   C  24.783 0.049 1 
       145 270  15 LYS CD   C  29.122 0.33  1 
       146 270  15 LYS CE   C  41.98  0.062 1 
       147 270  15 LYS N    N 129.153 0.038 1 
       148 271  16 VAL H    H   8.401 0.01  1 
       149 271  16 VAL HA   H   4.472 0.004 1 
       150 271  16 VAL HB   H   1.577 0.004 1 
       151 271  16 VAL HG1  H   0.323 0.006 1 
       152 271  16 VAL HG2  H   0.402 0.028 1 
       153 271  16 VAL C    C 175.085 0.003 1 
       154 271  16 VAL CA   C  60.313 0.074 1 
       155 271  16 VAL CB   C  34.495 0.051 1 
       156 271  16 VAL CG1  C  19.84  0.023 1 
       157 271  16 VAL CG2  C  22.245 0.115 1 
       158 271  16 VAL N    N 123.818 0.035 1 
       159 272  17 ASN H    H   8.232 0.007 1 
       160 272  17 ASN HA   H   4.879 0.008 1 
       161 272  17 ASN HB2  H   2.728 0.023 2 
       162 272  17 ASN HB3  H   2.834 0.008 2 
       163 272  17 ASN HD21 H   6.938 0.019 2 
       164 272  17 ASN HD22 H   7.855 0.007 2 
       165 272  17 ASN C    C 172.241 0.007 1 
       166 272  17 ASN CA   C  52.065 0.054 1 
       167 272  17 ASN CB   C  40.597 0.093 1 
       168 272  17 ASN CG   C 176.897 0.012 1 
       169 272  17 ASN N    N 125.862 0.049 1 
       170 272  17 ASN ND2  N 111.71  0.235 1 
       171 273  18 ASP H    H   8.729 0.01  1 
       172 273  18 ASP HA   H   4.62  0.006 1 
       173 273  18 ASP HB2  H   1.86  0.011 2 
       174 273  18 ASP HB3  H   2.747 0.008 2 
       175 273  18 ASP C    C 175.42  0.002 1 
       176 273  18 ASP CA   C  52.977 0.052 1 
       177 273  18 ASP CB   C  44.276 0.04  1 
       178 273  18 ASP N    N 125.395 0.033 1 
       179 274  19 TRP H    H   8.194 0.006 1 
       180 274  19 TRP HA   H   5.143 0.003 1 
       181 274  19 TRP HB2  H   3.09  0.006 2 
       182 274  19 TRP HB3  H   3.647 0.014 2 
       183 274  19 TRP HD1  H   6.806 0.019 1 
       184 274  19 TRP HE1  H   9.339 0.013 1 
       185 274  19 TRP HE3  H   7.268 0.004 1 
       186 274  19 TRP HZ2  H   6.759 0.014 1 
       187 274  19 TRP HZ3  H   7.019 0.008 1 
       188 274  19 TRP HH2  H   6.725 0.01  1 
       189 274  19 TRP C    C 176.203 0.006 1 
       190 274  19 TRP CA   C  56.423 0.132 1 
       191 274  19 TRP CB   C  27.406 0.038 1 
       192 274  19 TRP CZ2  C 112.961 0.25  1 
       193 274  19 TRP N    N 124.859 0.047 1 
       194 274  19 TRP NE1  N 130.232 0.019 1 
       195 275  20 GLY H    H   9.133 0.006 1 
       196 275  20 GLY HA2  H   3.457 0.006 2 
       197 275  20 GLY HA3  H   4.76  0.021 2 
       198 275  20 GLY C    C 174.934 0.006 1 
       199 275  20 GLY CA   C  46.82  0.068 1 
       200 275  20 GLY N    N 116.05  0.027 1 
       201 276  21 SER H    H   8.006 0.01  1 
       202 276  21 SER HA   H   4.664 0.005 1 
       203 276  21 SER HB2  H   3.934 0.005 2 
       204 276  21 SER HB3  H   4.208 0.004 2 
       205 276  21 SER C    C 173.883 0.007 1 
       206 276  21 SER CA   C  58.236 0.22  1 
       207 276  21 SER CB   C  63.505 0.127 1 
       208 276  21 SER N    N 115.534 0.072 1 
       209 277  22 GLY H    H   6.48  0.007 1 
       210 277  22 GLY HA2  H   3.383 0.012 2 
       211 277  22 GLY HA3  H   4.506 0.005 2 
       212 277  22 GLY C    C 168.083 0.006 1 
       213 277  22 GLY CA   C  44.565 0.03  1 
       214 277  22 GLY N    N 109.492 0.032 1 
       215 278  23 ALA H    H   8.02  0.01  1 
       216 278  23 ALA HA   H   3.881 0.008 1 
       217 278  23 ALA HB   H   0.887 0.004 1 
       218 278  23 ALA C    C 174.089 0.005 1 
       219 278  23 ALA CA   C  50.592 0.036 1 
       220 278  23 ALA CB   C  23.723 0.041 1 
       221 278  23 ALA N    N 118.091 0.034 1 
       222 279  24 GLU H    H   8.383 0.007 1 
       223 279  24 GLU HA   H   4.902 0.011 1 
       224 279  24 GLU HB2  H   2.053 0.017 2 
       225 279  24 GLU HB3  H   2.38  0.014 2 
       226 279  24 GLU HG2  H   2.249 0.006 2 
       227 279  24 GLU C    C 173.745 0.003 1 
       228 279  24 GLU CA   C  54.223 0.128 1 
       229 279  24 GLU CB   C  31.124 0.077 1 
       230 279  24 GLU CG   C  34.454 0.056 1 
       231 279  24 GLU N    N 121.297 0.04  1 
       232 280  25 TYR H    H   8.781 0.005 1 
       233 280  25 TYR HA   H   4.338 0.013 1 
       234 280  25 TYR HB2  H   0.956 0.014 2 
       235 280  25 TYR HB3  H   1.38  0.012 2 
       236 280  25 TYR HD1  H   6.372 0.016 3 
       237 280  25 TYR HE1  H   6.33  0.018 3 
       238 280  25 TYR C    C 173.042 0.002 1 
       239 280  25 TYR CA   C  56.564 0.068 1 
       240 280  25 TYR CB   C  39.769 0.062 1 
       241 280  25 TYR CD1  C 129.644 0.25  3 
       242 280  25 TYR CE1  C 117.442 0.25  3 
       243 280  25 TYR N    N 127.166 0.056 1 
       244 281  26 ASP H    H   8.649 0.005 1 
       245 281  26 ASP HA   H   5.071 0.008 1 
       246 281  26 ASP HB2  H   2.525 0.01  2 
       247 281  26 ASP HB3  H   2.798 0.009 2 
       248 281  26 ASP C    C 174.834 0.005 1 
       249 281  26 ASP CA   C  52.835 0.071 1 
       250 281  26 ASP CB   C  41.529 0.078 1 
       251 281  26 ASP N    N 120.632 0.038 1 
       252 282  27 VAL H    H   8.893 0.009 1 
       253 282  27 VAL HA   H   4.409 0.008 1 
       254 282  27 VAL HB   H   0.532 0.018 1 
       255 282  27 VAL HG1  H   0.486 0.026 1 
       256 282  27 VAL HG2  H   0.325 0.034 1 
       257 282  27 VAL C    C 174.666 0.029 1 
       258 282  27 VAL CA   C  61.557 0.081 1 
       259 282  27 VAL CB   C  32.567 0.047 1 
       260 282  27 VAL CG1  C  22.878 0.038 1 
       261 282  27 VAL CG2  C  21.023 0.047 1 
       262 282  27 VAL N    N 127.975 0.038 1 
       263 283  28 THR H    H   9.039 0.007 1 
       264 283  28 THR HA   H   4.887 0.01  1 
       265 283  28 THR HB   H   3.837 0.005 1 
       266 283  28 THR HG2  H   1.025 0.008 1 
       267 283  28 THR C    C 172.356 0.012 1 
       268 283  28 THR CA   C  62.115 0.094 1 
       269 283  28 THR CB   C  71.19  0.159 1 
       270 283  28 THR CG2  C  21.119 0.065 1 
       271 283  28 THR N    N 124.181 0.043 1 
       272 284  29 LEU H    H   9.449 0.005 1 
       273 284  29 LEU HA   H   4.935 0.009 1 
       274 284  29 LEU HB2  H   0.91  0.035 2 
       275 284  29 LEU HB3  H   1.529 0.011 2 
       276 284  29 LEU HG   H   1.085 0.016 1 
       277 284  29 LEU HD1  H  -0.483 0.008 1 
       278 284  29 LEU HD2  H   0.247 0.008 1 
       279 284  29 LEU C    C 174.884 0.004 1 
       280 284  29 LEU CA   C  52.864 0.071 1 
       281 284  29 LEU CB   C  42.448 0.119 1 
       282 284  29 LEU CG   C  26.745 0.162 1 
       283 284  29 LEU CD1  C  23.743 0.036 1 
       284 284  29 LEU CD2  C  25.561 0.047 1 
       285 284  29 LEU N    N 126.339 0.061 1 
       286 285  30 ASN H    H   8.545 0.007 1 
       287 285  30 ASN HA   H   5.209 0.007 1 
       288 285  30 ASN HB2  H   2.561 0.007 2 
       289 285  30 ASN HB3  H   2.729 0.009 2 
       290 285  30 ASN HD21 H   6.879 0.006 2 
       291 285  30 ASN HD22 H   7.296 0.005 2 
       292 285  30 ASN C    C 173.899 0.011 1 
       293 285  30 ASN CA   C  52.643 0.045 1 
       294 285  30 ASN CB   C  39.521 0.106 1 
       295 285  30 ASN CG   C 177.111 0.011 1 
       296 285  30 ASN N    N 122.354 0.045 1 
       297 285  30 ASN ND2  N 113.837 0.244 1 
       298 286  31 LEU H    H   8.894 0.008 1 
       299 286  31 LEU HA   H   4.898 0.009 1 
       300 286  31 LEU HB2  H   1.837 0.007 2 
       301 286  31 LEU HB3  H   2.677 0.007 2 
       302 286  31 LEU HG   H   1.617 0.007 1 
       303 286  31 LEU HD1  H   1.045 0.01  1 
       304 286  31 LEU HD2  H   0.714 0.008 1 
       305 286  31 LEU C    C 176.931 0.007 1 
       306 286  31 LEU CA   C  53.374 0.079 1 
       307 286  31 LEU CB   C  44.588 0.058 1 
       308 286  31 LEU CG   C  27.255 0.112 1 
       309 286  31 LEU CD1  C  26.178 0.089 1 
       310 286  31 LEU CD2  C  23.255 0.04  1 
       311 286  31 LEU N    N 122.524 0.035 1 
       312 287  32 ASP H    H   8.405 0.008 1 
       313 287  32 ASP HA   H   4.724 0.025 1 
       314 287  32 ASP HB2  H   2.694 0.012 2 
       315 287  32 ASP HB3  H   3.017 0.006 2 
       316 287  32 ASP C    C 176.017 0.004 1 
       317 287  32 ASP CA   C  53.612 0.161 1 
       318 287  32 ASP CB   C  40.133 0.105 1 
       319 287  32 ASP N    N 118.075 0.026 1 
       320 288  33 GLY H    H   7.418 0.005 1 
       321 288  33 GLY HA2  H   3.712 0.008 2 
       322 288  33 GLY HA3  H   3.93  0.011 2 
       323 288  33 GLY C    C 170.607 0.004 1 
       324 288  33 GLY CA   C  44.653 0.065 1 
       325 288  33 GLY N    N 105.806 0.036 1 
       326 289  34 GLN H    H   7.755 0.009 1 
       327 289  34 GLN HA   H   4.621 0.01  1 
       328 289  34 GLN HB2  H   1.545 0.012 2 
       329 289  34 GLN HB3  H   1.755 0.013 2 
       330 289  34 GLN HG2  H   1.915 0.01  2 
       331 289  34 GLN HG3  H   2.145 0.007 2 
       332 289  34 GLN HE21 H   6.828 0.006 2 
       333 289  34 GLN HE22 H   7.407 0.008 2 
       334 289  34 GLN C    C 175.617 0.012 1 
       335 289  34 GLN CA   C  54.766 0.058 1 
       336 289  34 GLN CB   C  29.69  0.149 1 
       337 289  34 GLN CG   C  34.308 0.058 1 
       338 289  34 GLN CD   C 180.39  0.01  1 
       339 289  34 GLN N    N 116.813 0.04  1 
       340 289  34 GLN NE2  N 111.633 0.234 1 
       341 290  35 TYR H    H   8.996 0.014 1 
       342 290  35 TYR HA   H   4.777 0.005 1 
       343 290  35 TYR HB2  H   2.476 0.004 2 
       344 290  35 TYR HB3  H   3.053 0.006 2 
       345 290  35 TYR HD1  H   7.083 0.005 3 
       346 290  35 TYR HE1  H   6.739 0.005 3 
       347 290  35 TYR C    C 174.396 0.005 1 
       348 290  35 TYR CA   C  56.864 0.065 1 
       349 290  35 TYR CB   C  44.137 0.032 1 
       350 290  35 TYR CD1  C 133.803 0.25  3 
       351 290  35 TYR CE1  C 117.442 0.25  3 
       352 290  35 TYR N    N 120.652 0.041 1 
       353 291  36 ASP H    H   8.571 0.008 1 
       354 291  36 ASP HA   H   4.572 0.008 1 
       355 291  36 ASP HB2  H   2.469 0.007 2 
       356 291  36 ASP HB3  H   2.621 0.008 2 
       357 291  36 ASP C    C 175.117 0.018 1 
       358 291  36 ASP CA   C  53.575 0.127 1 
       359 291  36 ASP CB   C  39.282 0.037 1 
       360 291  36 ASP N    N 120.808 0.036 1 
       361 292  37 TRP H    H   6.835 0.005 1 
       362 292  37 TRP HA   H   4.635 0.008 1 
       363 292  37 TRP HB2  H   2.814 0.007 2 
       364 292  37 TRP HB3  H   3.238 0.006 2 
       365 292  37 TRP HD1  H   7.317 0.01  1 
       366 292  37 TRP HE1  H  10.175 0.001 1 
       367 292  37 TRP HE3  H   7.008 0.005 1 
       368 292  37 TRP HZ2  H   7.234 0.007 1 
       369 292  37 TRP HZ3  H   6.04  0.007 1 
       370 292  37 TRP HH2  H   5.938 0.006 1 
       371 292  37 TRP C    C 174.411 0.008 1 
       372 292  37 TRP CA   C  54.675 0.015 1 
       373 292  37 TRP CB   C  32.054 0.049 1 
       374 292  37 TRP CE3  C 122.663 0.048 1 
       375 292  37 TRP CZ2  C 113.559 0.25  1 
       376 292  37 TRP CZ3  C 121.047 0.001 1 
       377 292  37 TRP CH2  C 124.652 0.001 1 
       378 292  37 TRP N    N 120.57  0.036 1 
       379 292  37 TRP NE1  N 128.993 0.048 1 
       380 293  38 THR H    H   8.367 0.006 1 
       381 293  38 THR HA   H   5.039 0.005 1 
       382 293  38 THR HB   H   3.914 0.008 1 
       383 293  38 THR HG2  H   0.978 0.007 1 
       384 293  38 THR C    C 173.662 0.008 1 
       385 293  38 THR CA   C  62.323 0.04  1 
       386 293  38 THR CB   C  72.184 0.051 1 
       387 293  38 THR CG2  C  22.162 0.098 1 
       388 293  38 THR N    N 113.277 0.038 1 
       389 294  39 VAL H    H   9.54  0.007 1 
       390 294  39 VAL HA   H   5.256 0.006 1 
       391 294  39 VAL HB   H   2.129 0.006 1 
       392 294  39 VAL HG1  H   0.978 0.007 1 
       393 294  39 VAL HG2  H   1.007 0.006 1 
       394 294  39 VAL C    C 174.317 0.009 1 
       395 294  39 VAL CA   C  60.874 0.06  1 
       396 294  39 VAL CB   C  34.633 0.061 1 
       397 294  39 VAL CG1  C  22.069 0.094 1 
       398 294  39 VAL CG2  C  24.514 0.042 1 
       399 294  39 VAL N    N 127.142 0.033 1 
       400 295  40 LYS H    H   8.981 0.007 1 
       401 295  40 LYS HA   H   4.944 0.009 1 
       402 295  40 LYS HB2  H   1.444 0.007 2 
       403 295  40 LYS HG2  H   0.935 0.009 2 
       404 295  40 LYS HG3  H   1.06  0.011 2 
       405 295  40 LYS HD2  H   1.087 0.01  2 
       406 295  40 LYS HE2  H   2.226 0.008 2 
       407 295  40 LYS C    C 175.294 0.005 1 
       408 295  40 LYS CA   C  55.156 0.058 1 
       409 295  40 LYS CB   C  34.289 0.084 1 
       410 295  40 LYS CG   C  25.68  0.056 1 
       411 295  40 LYS CD   C  29.082 0.103 1 
       412 295  40 LYS CE   C  41.139 0.069 1 
       413 295  40 LYS N    N 128.436 0.045 1 
       414 296  41 VAL H    H   9.368 0.005 1 
       415 296  41 VAL HA   H   4.765 0.007 1 
       416 296  41 VAL HB   H   1.937 0.007 1 
       417 296  41 VAL HG1  H   0.702 0.032 1 
       418 296  41 VAL HG2  H   0.855 0.033 1 
       419 296  41 VAL C    C 174.297 0.009 1 
       420 296  41 VAL CA   C  60.793 0.075 1 
       421 296  41 VAL CB   C  34.612 0.064 1 
       422 296  41 VAL CG1  C  21.927 0.056 1 
       423 296  41 VAL CG2  C  21.4   0.077 1 
       424 296  41 VAL N    N 125.349 0.037 1 
       425 297  42 LYS H    H   8.851 0.007 1 
       426 297  42 LYS HA   H   4.516 0.007 1 
       427 297  42 LYS HB2  H   1.556 0.011 2 
       428 297  42 LYS HB3  H   1.809 0.01  2 
       429 297  42 LYS HG2  H   1.055 0.009 2 
       430 297  42 LYS HG3  H   1.18  0.012 2 
       431 297  42 LYS HD2  H   1.391 0.01  2 
       432 297  42 LYS HD3  H   1.488 0.006 2 
       433 297  42 LYS HE2  H   2.78  0.011 2 
       434 297  42 LYS HE3  H   2.826 0.006 2 
       435 297  42 LYS C    C 175.729 0.032 1 
       436 297  42 LYS CA   C  54.922 0.059 1 
       437 297  42 LYS CB   C  34.842 0.11  1 
       438 297  42 LYS CG   C  25.128 0.047 1 
       439 297  42 LYS CD   C  29.025 0.095 1 
       440 297  42 LYS CE   C  41.852 0.085 1 
       441 297  42 LYS N    N 128.474 0.048 1 
       442 298  43 LEU H    H   8.554 0.007 1 
       443 298  43 LEU HA   H   4.36  0.007 1 
       444 298  43 LEU HB2  H   1.524 0.002 2 
       445 298  43 LEU HB3  H   1.603 0.005 2 
       446 298  43 LEU HG   H   1.489 0.008 1 
       447 298  43 LEU HD1  H   0.758 0.022 1 
       448 298  43 LEU HD2  H   0.615 0.007 1 
       449 298  43 LEU C    C 176.066 0.009 1 
       450 298  43 LEU CA   C  54.611 0.031 1 
       451 298  43 LEU CB   C  42.735 0.061 1 
       452 298  43 LEU CG   C  27.15  0.08  1 
       453 298  43 LEU CD1  C  25.882 0.045 1 
       454 298  43 LEU CD2  C  23.68  0.055 1 
       455 298  43 LEU N    N 129.071 0.057 1 
       456 299  44 ALA H    H   7.698 0.006 1 
       457 299  44 ALA HA   H   4.425 0.056 1 
       458 299  44 ALA HB   H   1.138 0.006 1 
       459 299  44 ALA C    C 174.808 0.048 1 
       460 299  44 ALA CA   C  50.724 0.07  1 
       461 299  44 ALA CB   C  17.404 0.052 1 
       462 299  44 ALA N    N 123.507 0.039 1 
       463 300  45 PRO HA   H   4.235 0.006 1 
       464 300  45 PRO HB2  H   1.765 0.007 2 
       465 300  45 PRO HB3  H   2.226 0.008 2 
       466 300  45 PRO HG2  H   1.93  0.008 2 
       467 300  45 PRO HG3  H   2.071 0.009 2 
       468 300  45 PRO HD2  H   3.506 0.01  2 
       469 300  45 PRO HD3  H   3.837 0.005 2 
       470 300  45 PRO C    C 177.834 0.007 1 
       471 300  45 PRO CA   C  64.144 0.058 1 
       472 300  45 PRO CB   C  31.38  0.114 1 
       473 300  45 PRO CG   C  28.117 0.251 1 
       474 300  45 PRO CD   C  50.181 0.105 1 
       475 301  46 GLY H    H   8.529 0.009 1 
       476 301  46 GLY HA2  H   3.618 0.01  2 
       477 301  46 GLY HA3  H   4.053 0.007 2 
       478 301  46 GLY C    C 173.665 0.001 1 
       479 301  46 GLY CA   C  45.195 0.077 1 
       480 301  46 GLY N    N 111.145 0.044 1 
       481 302  47 ALA H    H   7.913 0.006 1 
       482 302  47 ALA HA   H   5.462 0.005 1 
       483 302  47 ALA HB   H   1.41  0.005 1 
       484 302  47 ALA C    C 176.959 0.001 1 
       485 302  47 ALA CA   C  50.839 0.025 1 
       486 302  47 ALA CB   C  21.415 0.042 1 
       487 302  47 ALA N    N 124.276 0.026 1 
       488 303  48 THR H    H   8.932 0.007 1 
       489 303  48 THR HA   H   4.591 0.01  1 
       490 303  48 THR HB   H   4.072 0.005 1 
       491 303  48 THR HG2  H   1.134 0.013 1 
       492 303  48 THR C    C 173.422 0.002 1 
       493 303  48 THR CA   C  59.858 0.078 1 
       494 303  48 THR CB   C  72.564 0.06  1 
       495 303  48 THR CG2  C  22.082 0.093 1 
       496 303  48 THR N    N 110.817 0.049 1 
       497 304  49 VAL H    H   9.035 0.012 1 
       498 304  49 VAL HA   H   4.487 0.01  1 
       499 304  49 VAL HB   H   2.019 0.009 1 
       500 304  49 VAL HG1  H   1.174 0.01  1 
       501 304  49 VAL HG2  H   0.954 0.004 1 
       502 304  49 VAL C    C 176.491 0.011 1 
       503 304  49 VAL CA   C  63.313 0.094 1 
       504 304  49 VAL CB   C  32.07  0.035 1 
       505 304  49 VAL CG1  C  22.293 0.056 1 
       506 304  49 VAL CG2  C  23.818 0.075 1 
       507 304  49 VAL N    N 123.39  0.063 1 
       508 305  50 GLY H    H   9.512 0.01  1 
       509 305  50 GLY HA2  H   3.727 0.005 2 
       510 305  50 GLY HA3  H   4.493 0.011 2 
       511 305  50 GLY C    C 173.695 0.005 1 
       512 305  50 GLY CA   C  45.33  0.099 1 
       513 305  50 GLY N    N 118.693 0.031 1 
       514 306  51 SER H    H   8.299 0.006 1 
       515 306  51 SER HA   H   4.759 0.004 1 
       516 306  51 SER HB2  H   4.06  0.003 2 
       517 306  51 SER C    C 171.88  0.003 1 
       518 306  51 SER CA   C  58.539 0.053 1 
       519 306  51 SER CB   C  64.567 0.069 1 
       520 306  51 SER N    N 117.901 0.122 1 
       521 307  52 PHE H    H   7.949 0.013 1 
       522 307  52 PHE HA   H   5.015 0.008 1 
       523 307  52 PHE HB2  H   2.941 0.005 2 
       524 307  52 PHE HB3  H   3.37  0.006 2 
       525 307  52 PHE HD1  H   7.22  0.006 3 
       526 307  52 PHE HE1  H   6.45  0.002 3 
       527 307  52 PHE HZ   H   6.316 0.004 1 
       528 307  52 PHE C    C 173.367 0.001 1 
       529 307  52 PHE CA   C  57.201 0.085 1 
       530 307  52 PHE CB   C  41.737 0.084 1 
       531 307  52 PHE N    N 115.83  0.044 1 
       532 308  53 TRP H    H   8.217 0.008 1 
       533 308  53 TRP HA   H   5.092 0.007 1 
       534 308  53 TRP HB2  H   2.938 0.014 2 
       535 308  53 TRP HB3  H   3.177 0.022 2 
       536 308  53 TRP HD1  H   7.158 0.017 1 
       537 308  53 TRP HE1  H  10.061 0.002 1 
       538 308  53 TRP HE3  H   7.219 0.002 1 
       539 308  53 TRP HZ2  H   7.22  0.006 1 
       540 308  53 TRP HZ3  H   7.535 0.003 1 
       541 308  53 TRP HH2  H   7.631 0.001 1 
       542 308  53 TRP C    C 173.907 0.004 1 
       543 308  53 TRP CA   C  56.153 0.051 1 
       544 308  53 TRP CB   C  30.052 0.03  1 
       545 308  53 TRP N    N 117.631 0.024 1 
       546 308  53 TRP NE1  N 128.932 0.009 1 
       547 309  54 SER H    H   8.905 0.011 1 
       548 309  54 SER HA   H   4.031 0.005 1 
       549 309  54 SER HB2  H   4.474 0.004 2 
       550 309  54 SER HB3  H   4.748 0.009 2 
       551 309  54 SER C    C 171.308 0.001 1 
       552 309  54 SER CA   C  59.12  0.052 1 
       553 309  54 SER CB   C  61.172 0.074 1 
       554 309  54 SER N    N 107.263 0.051 1 
       555 310  55 ALA H    H   7.72  0.007 1 
       556 310  55 ALA HA   H   4.585 0.006 1 
       557 310  55 ALA HB   H   1.03  0.007 1 
       558 310  55 ALA C    C 175.408 0.002 1 
       559 310  55 ALA CA   C  50.925 0.028 1 
       560 310  55 ALA CB   C  22.846 0.071 1 
       561 310  55 ALA N    N 117.178 0.039 1 
       562 311  56 ASN H    H   9.131 0.006 1 
       563 311  56 ASN HA   H   5.032 0.008 1 
       564 311  56 ASN HB2  H   2.348 0.008 2 
       565 311  56 ASN HB3  H   2.499 0.009 2 
       566 311  56 ASN HD21 H   6.702 0.006 2 
       567 311  56 ASN C    C 173.383 0.006 1 
       568 311  56 ASN CA   C  52.325 0.053 1 
       569 311  56 ASN CB   C  40.332 0.041 1 
       570 311  56 ASN CG   C 176.253 0.33  1 
       571 311  56 ASN N    N 117.954 0.017 1 
       572 311  56 ASN ND2  N 113.947 0.253 1 
       573 312  57 LYS H    H   8.287 0.015 1 
       574 312  57 LYS HA   H   4.475 0.007 1 
       575 312  57 LYS HB2  H   0.011 0.019 2 
       576 312  57 LYS HB3  H   0.761 0.014 2 
       577 312  57 LYS HG2  H   0.261 0.046 2 
       578 312  57 LYS HG3  H   0.34  0.018 2 
       579 312  57 LYS HD2  H   0.795 0.007 2 
       580 312  57 LYS HD3  H   1.045 0.007 2 
       581 312  57 LYS HE2  H   2.467 0.009 2 
       582 312  57 LYS HE3  H   2.665 0.009 2 
       583 312  57 LYS C    C 174.96  0.022 1 
       584 312  57 LYS CA   C  54.875 0.075 1 
       585 312  57 LYS CB   C  34.605 0.053 1 
       586 312  57 LYS CG   C  24.073 0.044 1 
       587 312  57 LYS CD   C  28.126 0.075 1 
       588 312  57 LYS CE   C  41.129 0.073 1 
       589 312  57 LYS N    N 121.259 0.024 1 
       590 313  58 GLN H    H   8.579 0.007 1 
       591 313  58 GLN HA   H   4.446 0.006 1 
       592 313  58 GLN HB2  H   1.709 0.008 2 
       593 313  58 GLN HB3  H   1.88  0.009 2 
       594 313  58 GLN HG2  H   2.106 0.006 2 
       595 313  58 GLN HE21 H   6.693 0.006 2 
       596 313  58 GLN HE22 H   7.395 0.01  2 
       597 313  58 GLN C    C 173.921 0.08  1 
       598 313  58 GLN CA   C  54.323 0.072 1 
       599 313  58 GLN CB   C  32.39  0.064 1 
       600 313  58 GLN CG   C  33.736 0.084 1 
       601 313  58 GLN CD   C 180.325 0.018 1 
       602 313  58 GLN N    N 126.095 0.083 1 
       603 313  58 GLN NE2  N 111.449 0.255 1 
       604 314  59 GLU H    H   8.617 0.01  1 
       605 314  59 GLU HA   H   4.673 0.009 1 
       606 314  59 GLU HB2  H   1.74  0.009 2 
       607 314  59 GLU HB3  H   1.982 0.012 2 
       608 314  59 GLU HG2  H   2.041 0.009 2 
       609 314  59 GLU C    C 175.694 0.003 1 
       610 314  59 GLU CA   C  55.803 0.034 1 
       611 314  59 GLU CB   C  32.196 0.083 1 
       612 314  59 GLU CG   C  36.539 0.046 1 
       613 314  59 GLU N    N 122.685 0.041 1 
       614 315  60 GLY H    H   8.08  0.005 1 
       615 315  60 GLY HA2  H   3.465 0.004 2 
       616 315  60 GLY HA3  H   4.117 0.01  2 
       617 315  60 GLY C    C 173.282 0.001 1 
       618 315  60 GLY CA   C  45.181 0.101 1 
       619 315  60 GLY N    N 111.02  0.038 1 
       620 316  61 ASN H    H   8.733 0.014 1 
       621 316  61 ASN HA   H   4.511 0.005 1 
       622 316  61 ASN HB2  H   2.717 0.003 2 
       623 316  61 ASN HB3  H   3.008 0.006 2 
       624 316  61 ASN HD21 H   6.846 0.009 2 
       625 316  61 ASN HD22 H   7.512 0.008 2 
       626 316  61 ASN C    C 174.432 0.005 1 
       627 316  61 ASN CA   C  53.592 0.12  1 
       628 316  61 ASN CB   C  37.518 0.131 1 
       629 316  61 ASN CG   C 177.84  0.011 1 
       630 316  61 ASN N    N 119.761 0.025 1 
       631 316  61 ASN ND2  N 112.094 0.236 1 
       632 317  62 GLY H    H   8.594 0.008 1 
       633 317  62 GLY HA2  H   3.588 0.007 2 
       634 317  62 GLY HA3  H   4.086 0.01  2 
       635 317  62 GLY C    C 173.782 0.004 1 
       636 317  62 GLY CA   C  45.162 0.058 1 
       637 317  62 GLY N    N 107.876 0.048 1 
       638 318  63 TYR H    H   7.496 0.006 1 
       639 318  63 TYR HA   H   5.134 0.005 1 
       640 318  63 TYR HB2  H   2.657 0.022 2 
       641 318  63 TYR HB3  H   2.723 0.011 2 
       642 318  63 TYR HD1  H   6.749 0.012 3 
       643 318  63 TYR HE1  H   6.703 0.008 3 
       644 318  63 TYR C    C 174.591 0.003 1 
       645 318  63 TYR CA   C  56.536 0.089 1 
       646 318  63 TYR CB   C  41.739 0.047 1 
       647 318  63 TYR CD1  C 133.249 0.25  3 
       648 318  63 TYR CE1  C 117.719 0.25  3 
       649 318  63 TYR N    N 116.803 0.021 1 
       650 319  64 VAL H    H   9.056 0.006 1 
       651 319  64 VAL HA   H   4.205 0.006 1 
       652 319  64 VAL HB   H   1.475 0.008 1 
       653 319  64 VAL HG1  H   0.156 0.011 1 
       654 319  64 VAL HG2  H   0.548 0.01  1 
       655 319  64 VAL C    C 173.325 0.008 1 
       656 319  64 VAL CA   C  61.382 0.043 1 
       657 319  64 VAL CB   C  33.564 0.055 1 
       658 319  64 VAL CG1  C  22.58  0.057 1 
       659 319  64 VAL CG2  C  21.734 0.095 1 
       660 319  64 VAL N    N 119.725 0.037 1 
       661 320  65 ILE H    H   8.581 0.005 1 
       662 320  65 ILE HA   H   4.637 0.008 1 
       663 320  65 ILE HB   H   1.429 0.007 1 
       664 320  65 ILE HG12 H   0.785 0.009 1 
       665 320  65 ILE HG13 H   1.293 0.017 1 
       666 320  65 ILE HG2  H   0.632 0.006 1 
       667 320  65 ILE HD1  H   0.621 0.008 1 
       668 320  65 ILE C    C 175.076 0.015 1 
       669 320  65 ILE CA   C  59.929 0.115 1 
       670 320  65 ILE CB   C  40.224 0.041 1 
       671 320  65 ILE CG1  C  27.785 0.061 1 
       672 320  65 ILE CG2  C  18.485 0.053 1 
       673 320  65 ILE CD1  C  13.267 0.058 1 
       674 320  65 ILE N    N 125.735 0.063 1 
       675 321  66 PHE H    H   9.515 0.009 1 
       676 321  66 PHE HA   H   5.681 0.007 1 
       677 321  66 PHE HB2  H   2.274 0.012 2 
       678 321  66 PHE HB3  H   2.553 0.011 2 
       679 321  66 PHE HD1  H   6.715 0.005 3 
       680 321  66 PHE HE1  H   6.012 0.008 3 
       681 321  66 PHE HZ   H   6.09  0.012 1 
       682 321  66 PHE C    C 174.715 0.005 1 
       683 321  66 PHE CA   C  56.277 0.023 1 
       684 321  66 PHE CB   C  42.133 0.067 1 
       685 321  66 PHE CD1  C 131.308 0.25  3 
       686 321  66 PHE CE1  C 129.921 0.25  3 
       687 321  66 PHE CZ   C 127.98  0.25  1 
       688 321  66 PHE N    N 127.167 0.045 1 
       689 322  67 THR H    H   8.169 0.006 1 
       690 322  67 THR HA   H   4.326 0.02  1 
       691 322  67 THR HB   H   4.03  0.013 1 
       692 322  67 THR HG2  H   1.015 0.008 1 
       693 322  67 THR C    C 171.474 0.08  1 
       694 322  67 THR CA   C  57.916 0.146 1 
       695 322  67 THR CB   C  69.871 0.167 1 
       696 322  67 THR CG2  C  22.73  0.145 1 
       697 322  67 THR N    N 111.42  0.043 1 
       698 323  68 PRO HA   H   3.699 0.007 1 
       699 323  68 PRO HB2  H   1.586 0.013 2 
       700 323  68 PRO HB3  H   1.724 0.009 2 
       701 323  68 PRO HG2  H   0.547 0.009 2 
       702 323  68 PRO HG3  H   1.435 0.007 2 
       703 323  68 PRO HD2  H   2.998 0.006 2 
       704 323  68 PRO HD3  H   1.576 0.008 2 
       705 323  68 PRO C    C 179.731 0.08  1 
       706 323  68 PRO CA   C  63.934 0.073 1 
       707 323  68 PRO CB   C  30.899 0.04  1 
       708 323  68 PRO CG   C  26.184 0.089 1 
       709 323  68 PRO CD   C  49.541 0.022 1 
       710 324  69 VAL H    H   5.592 0.015 1 
       711 324  69 VAL HA   H   4.213 0.004 1 
       712 324  69 VAL HB   H   1.872 0.006 1 
       713 324  69 VAL HG1  H   0.586 0.143 1 
       714 324  69 VAL HG2  H  -0.284 0.005 1 
       715 324  69 VAL C    C 178.772 0.013 1 
       716 324  69 VAL CA   C  60.735 0.062 1 
       717 324  69 VAL CB   C  31.459 0.153 1 
       718 324  69 VAL CG1  C  21.59  0.042 1 
       719 324  69 VAL CG2  C  17.374 0.05  1 
       720 324  69 VAL N    N 109.629 0.062 1 
       721 325  70 SER H    H   8.371 0.011 1 
       722 325  70 SER HA   H   3.882 0.01  1 
       723 325  70 SER HB2  H   3.753 0.006 2 
       724 325  70 SER C    C 176.629 2.146 1 
       725 325  70 SER CA   C  62.574 0.077 1 
       726 325  70 SER CB   C  62.73  0.015 1 
       727 325  70 SER N    N 114.958 0.044 1 
       728 326  71 TRP H    H   6.493 0.006 1 
       729 326  71 TRP HA   H   4.819 0.011 1 
       730 326  71 TRP HB2  H   3.012 0.01  2 
       731 326  71 TRP HB3  H   3.795 0.003 2 
       732 326  71 TRP HD1  H   7.084 0.01  1 
       733 326  71 TRP HE1  H  10.059 0.006 1 
       734 326  71 TRP HE3  H   7.61  0.01  1 
       735 326  71 TRP HZ2  H   7.375 0.01  1 
       736 326  71 TRP HZ3  H   7.25  0.007 1 
       737 326  71 TRP HH2  H   7.48  0.022 1 
       738 326  71 TRP C    C 176.433 0.003 1 
       739 326  71 TRP CA   C  54.695 0.067 1 
       740 326  71 TRP CB   C  29.136 0.055 1 
       741 326  71 TRP CE3  C 121.53  0.25  1 
       742 326  71 TRP CZ2  C 114.879 0.005 1 
       743 326  71 TRP CZ3  C 122.085 0.25  1 
       744 326  71 TRP CH2  C 125.135 0.25  1 
       745 326  71 TRP N    N 114.229 0.025 1 
       746 326  71 TRP NE1  N 131.852 0.031 1 
       747 327  72 ASN H    H   7.664 0.007 1 
       748 327  72 ASN HA   H   5.724 0.005 1 
       749 327  72 ASN HB2  H   1.126 0.019 2 
       750 327  72 ASN HB3  H   2.414 0.011 2 
       751 327  72 ASN HD21 H   7.657 0.002 2 
       752 327  72 ASN HD22 H   7.869 0.001 2 
       753 327  72 ASN C    C 175.06  0.003 1 
       754 327  72 ASN CA   C  50.775 0.088 1 
       755 327  72 ASN CB   C  40.13  0.054 1 
       756 327  72 ASN N    N 122.766 0.036 1 
       757 327  72 ASN ND2  N 108.709 0.027 1 
       758 328  73 LYS H    H   8.043 0.005 1 
       759 328  73 LYS HA   H   4.421 0.006 1 
       760 328  73 LYS HB2  H   1.685 0.008 2 
       761 328  73 LYS HB3  H   2.249 0.007 2 
       762 328  73 LYS HG2  H   0.944 0.009 2 
       763 328  73 LYS HG3  H   1.452 0.01  2 
       764 328  73 LYS HD2  H   1.431 0.015 2 
       765 328  73 LYS HE2  H   2.573 0.013 2 
       766 328  73 LYS HE3  H   2.703 0.007 2 
       767 328  73 LYS C    C 174.923 0.009 1 
       768 328  73 LYS CA   C  58.141 0.118 1 
       769 328  73 LYS CB   C  32.954 0.068 1 
       770 328  73 LYS CG   C  26.457 0.05  1 
       771 328  73 LYS CD   C  29.26  0.113 1 
       772 328  73 LYS CE   C  42.186 0.33  1 
       773 328  73 LYS N    N 115.886 0.042 1 
       774 329  74 GLY H    H   8.455 0.009 1 
       775 329  74 GLY HA2  H   3.243 0.009 2 
       776 329  74 GLY HA3  H   5.222 0.007 2 
       777 329  74 GLY C    C 172.76  0.08  1 
       778 329  74 GLY CA   C  43.067 0.037 1 
       779 329  74 GLY N    N 105.079 0.04  1 
       780 330  75 PRO HA   H   4.661 0.006 1 
       781 330  75 PRO HB2  H   2.229 0.005 2 
       782 330  75 PRO HB3  H   2.274 0.011 2 
       783 330  75 PRO HG2  H   1.757 0.006 2 
       784 330  75 PRO HG3  H   2.016 0.009 2 
       785 330  75 PRO HD2  H   3.522 0.011 2 
       786 330  75 PRO HD3  H   3.769 0.009 2 
       787 330  75 PRO C    C 175.719 0.008 1 
       788 330  75 PRO CA   C  64.277 0.053 1 
       789 330  75 PRO CB   C  34.894 0.063 1 
       790 330  75 PRO CG   C  25.457 0.035 1 
       791 330  75 PRO CD   C  50.818 0.085 1 
       792 331  76 THR H    H   8.154 0.01  1 
       793 331  76 THR HA   H   5.403 0.007 1 
       794 331  76 THR HB   H   4.083 0.006 1 
       795 331  76 THR HG2  H   1.206 0.009 1 
       796 331  76 THR C    C 174.262 0.003 1 
       797 331  76 THR CA   C  61.244 0.064 1 
       798 331  76 THR CB   C  69.284 0.161 1 
       799 331  76 THR CG2  C  21.909 0.081 1 
       800 331  76 THR N    N 115.789 0.024 1 
       801 332  77 ALA H    H   8.844 0.006 1 
       802 332  77 ALA HA   H   5.047 0.005 1 
       803 332  77 ALA HB   H   1.206 0.006 1 
       804 332  77 ALA C    C 175.719 0.08  1 
       805 332  77 ALA CA   C  50.956 0.035 1 
       806 332  77 ALA CB   C  22.271 0.107 1 
       807 332  77 ALA N    N 131.305 0.05  1 
       808 333  78 THR H    H   8.324 0.005 1 
       809 333  78 THR HA   H   5.699 0.005 1 
       810 333  78 THR HB   H   4.294 0.007 1 
       811 333  78 THR HG2  H   1.301 0.006 1 
       812 333  78 THR C    C 174.298 0.008 1 
       813 333  78 THR CA   C  59.085 0.056 1 
       814 333  78 THR CB   C  71.797 0.154 1 
       815 333  78 THR CG2  C  21.774 0.047 1 
       816 333  78 THR N    N 113.116 0.063 1 
       817 334  79 PHE H    H   9.105 0.006 1 
       818 334  79 PHE HA   H   4.87  0.021 1 
       819 334  79 PHE HB2  H   2.939 0.013 2 
       820 334  79 PHE HB3  H   3.933 0.012 2 
       821 334  79 PHE HD1  H   6.504 0.008 3 
       822 334  79 PHE HE1  H   6.569 0.01  3 
       823 334  79 PHE HZ   H   6.461 0.006 1 
       824 334  79 PHE C    C 170.844 0.015 1 
       825 334  79 PHE CA   C  56.594 0.095 1 
       826 334  79 PHE CB   C  39.89  0.043 1 
       827 334  79 PHE N    N 123.044 0.068 1 
       828 335  80 GLY H    H   6.775 0.006 1 
       829 335  80 GLY HA2  H   3.501 0.007 2 
       830 335  80 GLY HA3  H   4.356 0.009 2 
       831 335  80 GLY C    C 169.408 0.008 1 
       832 335  80 GLY CA   C  45.638 0.039 1 
       833 335  80 GLY N    N 108.092 0.06  1 
       834 336  81 PHE H    H   7.721 0.007 1 
       835 336  81 PHE HA   H   4.575 0.017 1 
       836 336  81 PHE HB2  H   2.971 0.013 2 
       837 336  81 PHE HB3  H   3.115 0.021 2 
       838 336  81 PHE HD1  H   6.458 0.009 3 
       839 336  81 PHE HE1  H   6.386 0.006 3 
       840 336  81 PHE HZ   H   6.363 0.007 1 
       841 336  81 PHE C    C 172.222 0.002 1 
       842 336  81 PHE CA   C  55.847 0.039 1 
       843 336  81 PHE CB   C  40.83  0.036 1 
       844 336  81 PHE N    N 110.249 0.035 1 
       845 337  82 ILE H    H   8.939 0.007 1 
       846 337  82 ILE HA   H   5.294 0.007 1 
       847 337  82 ILE HB   H   1.983 0.01  1 
       848 337  82 ILE HG12 H   1.355 0.012 1 
       849 337  82 ILE HG13 H   1.867 0.006 1 
       850 337  82 ILE HG2  H   1.02  0.017 1 
       851 337  82 ILE HD1  H   1.126 0.01  1 
       852 337  82 ILE C    C 176.201 0.004 1 
       853 337  82 ILE CA   C  58.889 0.036 1 
       854 337  82 ILE CB   C  40.763 0.04  1 
       855 337  82 ILE CG1  C  28.721 0.071 1 
       856 337  82 ILE CG2  C  17.117 0.062 1 
       857 337  82 ILE CD1  C  13.18  0.037 1 
       858 337  82 ILE N    N 120.806 0.032 1 
       859 338  83 VAL H    H   9.264 0.007 1 
       860 338  83 VAL HA   H   4.985 0.01  1 
       861 338  83 VAL HB   H   1.791 0.014 1 
       862 338  83 VAL HG1  H   0.889 0.006 1 
       863 338  83 VAL HG2  H   0.907 0.009 1 
       864 338  83 VAL C    C 174.51  0.008 1 
       865 338  83 VAL CA   C  59.648 0.043 1 
       866 338  83 VAL CB   C  35.052 0.068 1 
       867 338  83 VAL CG1  C  24.474 0.089 1 
       868 338  83 VAL CG2  C  23.102 0.059 1 
       869 338  83 VAL N    N 125.556 0.031 1 
       870 339  84 ASN H    H   9.073 0.007 1 
       871 339  84 ASN HA   H   5.483 0.005 1 
       872 339  84 ASN HB2  H   2.581 0.007 2 
       873 339  84 ASN HB3  H   2.851 0.006 2 
       874 339  84 ASN HD21 H   6.839 0.007 2 
       875 339  84 ASN HD22 H   7.514 0.013 2 
       876 339  84 ASN C    C 174.715 0.011 1 
       877 339  84 ASN CA   C  52.177 0.05  1 
       878 339  84 ASN CB   C  41.634 0.06  1 
       879 339  84 ASN CG   C 176.409 0.013 1 
       880 339  84 ASN N    N 123.95  0.065 1 
       881 339  84 ASN ND2  N 111.424 0.224 1 
       882 340  85 GLY H    H   8.046 0.006 1 
       883 340  85 GLY HA2  H   3.844 0.01  2 
       884 340  85 GLY HA3  H   4.084 0.008 2 
       885 340  85 GLY C    C 168.646 0.08  1 
       886 340  85 GLY CA   C  46.426 0.045 1 
       887 340  85 GLY N    N 107.714 0.045 1 
       888 341  86 PRO HA   H   4.387 0.009 1 
       889 341  86 PRO HB2  H   1.788 0.033 2 
       890 341  86 PRO HB3  H   2.284 0.1   2 
       891 341  86 PRO HG2  H   1.878 0.006 2 
       892 341  86 PRO HG3  H   2.042 0.009 2 
       893 341  86 PRO HD2  H   3.194 0.02  2 
       894 341  86 PRO HD3  H   3.316 0.019 2 
       895 341  86 PRO C    C 175.421 0.002 1 
       896 341  86 PRO CA   C  61.958 0.09  1 
       897 341  86 PRO CB   C  32.488 0.063 1 
       898 341  86 PRO CG   C  27.189 0.077 1 
       899 341  86 PRO CD   C  49.499 0.046 1 
       900 342  87 GLN H    H   8.051 0.01  1 
       901 342  87 GLN HA   H   3.998 0.01  1 
       902 342  87 GLN HB2  H   1.91  0.01  2 
       903 342  87 GLN HG2  H   2.305 0.016 2 
       904 342  87 GLN HG3  H   2.366 0.01  2 
       905 342  87 GLN HE21 H   6.81  0.006 2 
       906 342  87 GLN HE22 H   7.48  0.008 2 
       907 342  87 GLN C    C 176.114 0.08  1 
       908 342  87 GLN CA   C  57.49  0.05  1 
       909 342  87 GLN CB   C  28.685 0.053 1 
       910 342  87 GLN CG   C  33.734 0.045 1 
       911 342  87 GLN CD   C 180.196 0.009 1 
       912 342  87 GLN N    N 119.085 0.069 1 
       913 342  87 GLN NE2  N 111.153 0.22  1 
       914 343  88 GLY H    H   8.673 0.006 1 
       915 343  88 GLY HA2  H   3.541 0.006 2 
       916 343  88 GLY HA3  H   4.356 0.004 2 
       917 343  88 GLY C    C 173.235 0.002 1 
       918 343  88 GLY CA   C  42.654 0.062 1 
       919 343  88 GLY N    N 112.1   0.026 1 
       920 344  89 ASP H    H   8.11  0.01  1 
       921 344  89 ASP HA   H   4.381 0.009 1 
       922 344  89 ASP HB2  H   2.461 0.032 2 
       923 344  89 ASP HB3  H   2.508 0.014 2 
       924 344  89 ASP C    C 179.229 0.002 1 
       925 344  89 ASP CA   C  55.577 0.054 1 
       926 344  89 ASP CB   C  40.228 0.025 1 
       927 344  89 ASP N    N 117.754 0.043 1 
       928 345  90 LYS H    H   8.45  0.006 1 
       929 345  90 LYS HA   H   3.985 0.007 1 
       930 345  90 LYS HB2  H   1.672 0.01  2 
       931 345  90 LYS HB3  H   1.857 0.019 2 
       932 345  90 LYS HG2  H   1.27  0.017 2 
       933 345  90 LYS HG3  H   1.467 0.008 2 
       934 345  90 LYS HD2  H   1.032 0.01  2 
       935 345  90 LYS HD3  H   1.344 0.01  2 
       936 345  90 LYS HE2  H   2.588 0.009 2 
       937 345  90 LYS C    C 174.7   0.004 1 
       938 345  90 LYS CA   C  57.191 0.051 1 
       939 345  90 LYS CB   C  32.774 0.107 1 
       940 345  90 LYS CG   C  25.205 0.047 1 
       941 345  90 LYS CD   C  28.515 0.072 1 
       942 345  90 LYS CE   C  41.956 0.105 1 
       943 345  90 LYS N    N 122.372 0.045 1 
       944 346  91 VAL H    H   7.06  0.007 1 
       945 346  91 VAL HA   H   4.201 0.007 1 
       946 346  91 VAL HB   H   1.607 0.006 1 
       947 346  91 VAL HG1  H   0.623 0.005 1 
       948 346  91 VAL HG2  H   0.196 0.009 1 
       949 346  91 VAL C    C 175.251 0.003 1 
       950 346  91 VAL CA   C  60.648 0.065 1 
       951 346  91 VAL CB   C  35.439 0.081 1 
       952 346  91 VAL CG1  C  22.551 0.115 1 
       953 346  91 VAL CG2  C  21.728 0.061 1 
       954 346  91 VAL N    N 116.115 0.047 1 
       955 347  92 GLU H    H   8.838 0.007 1 
       956 347  92 GLU HA   H   4.295 0.008 1 
       957 347  92 GLU HB2  H   1.496 0.005 2 
       958 347  92 GLU HB3  H   1.969 0.015 2 
       959 347  92 GLU HG2  H   1.957 0.002 2 
       960 347  92 GLU HG3  H   2.077 0.007 2 
       961 347  92 GLU C    C 176.135 0.011 1 
       962 347  92 GLU CA   C  56.98  0.044 1 
       963 347  92 GLU CB   C  31.384 0.108 1 
       964 347  92 GLU CG   C  35.369 0.078 1 
       965 347  92 GLU N    N 123.918 0.041 1 
       966 348  93 GLU H    H   7.221 0.007 1 
       967 348  93 GLU HA   H   4.611 0.008 1 
       968 348  93 GLU HB2  H   1.949 0.009 2 
       969 348  93 GLU HG2  H   2.138 0.01  2 
       970 348  93 GLU C    C 173.802 0.002 1 
       971 348  93 GLU CA   C  55.938 0.066 1 
       972 348  93 GLU CB   C  34.013 0.098 1 
       973 348  93 GLU CG   C  36.096 0.077 1 
       974 348  93 GLU N    N 116.549 0.019 1 
       975 349  94 ILE H    H   8.433 0.009 1 
       976 349  94 ILE HA   H   4.975 0.006 1 
       977 349  94 ILE HB   H   1.605 0.012 1 
       978 349  94 ILE HG12 H   0.879 0.013 1 
       979 349  94 ILE HG13 H   1.551 0.006 1 
       980 349  94 ILE HG2  H   0.747 0.007 1 
       981 349  94 ILE HD1  H   0.788 0.006 1 
       982 349  94 ILE C    C 174.444 0.004 1 
       983 349  94 ILE CA   C  61.358 0.064 1 
       984 349  94 ILE CB   C  40.812 0.091 1 
       985 349  94 ILE CG1  C  28.689 0.103 1 
       986 349  94 ILE CG2  C  17.441 0.095 1 
       987 349  94 ILE CD1  C  13.983 0.044 1 
       988 349  94 ILE N    N 124.711 0.028 1 
       989 350  95 THR H    H   8.931 0.006 1 
       990 350  95 THR HA   H   4.657 0.017 1 
       991 350  95 THR HB   H   3.943 0.021 1 
       992 350  95 THR HG2  H   1.117 0.01  1 
       993 350  95 THR C    C 172.039 0.011 1 
       994 350  95 THR CA   C  60.385 0.137 1 
       995 350  95 THR CB   C  72.338 0.228 1 
       996 350  95 THR CG2  C  22.577 0.058 1 
       997 350  95 THR N    N 120.004 0.095 1 
       998 351  96 LEU H    H   8.858 0.009 1 
       999 351  96 LEU HA   H   5.057 0.007 1 
      1000 351  96 LEU HB2  H   1.19  0.009 2 
      1001 351  96 LEU HB3  H   1.906 0.01  2 
      1002 351  96 LEU HG   H   1.286 0.015 1 
      1003 351  96 LEU HD1  H   0.875 0.006 1 
      1004 351  96 LEU HD2  H   0.637 0.009 1 
      1005 351  96 LEU C    C 174.035 0.009 1 
      1006 351  96 LEU CA   C  53.704 0.057 1 
      1007 351  96 LEU CB   C  44.823 0.086 1 
      1008 351  96 LEU CG   C  27.919 0.07  1 
      1009 351  96 LEU CD1  C  24.174 0.072 1 
      1010 351  96 LEU CD2  C  26.258 0.088 1 
      1011 351  96 LEU N    N 126.455 0.075 1 
      1012 352  97 GLU H    H   9.21  0.007 1 
      1013 352  97 GLU HA   H   5.055 0.007 1 
      1014 352  97 GLU HB2  H   1.696 0.006 2 
      1015 352  97 GLU HG2  H   1.927 0.006 2 
      1016 352  97 GLU C    C 175.427 0.005 1 
      1017 352  97 GLU CA   C  54.444 0.042 1 
      1018 352  97 GLU CB   C  33.273 0.051 1 
      1019 352  97 GLU CG   C  35.931 0.084 1 
      1020 352  97 GLU N    N 125.531 0.038 1 
      1021 353  98 ILE H    H   8.465 0.006 1 
      1022 353  98 ILE HA   H   4.219 0.009 1 
      1023 353  98 ILE HB   H   1.493 0.008 1 
      1024 353  98 ILE HG12 H   0.858 0.018 1 
      1025 353  98 ILE HG13 H   1.335 0.012 1 
      1026 353  98 ILE HG2  H   0.549 0.013 1 
      1027 353  98 ILE HD1  H   0.488 0.016 1 
      1028 353  98 ILE C    C 175.743 0.011 1 
      1029 353  98 ILE CA   C  60.536 0.054 1 
      1030 353  98 ILE CB   C  40.283 0.073 1 
      1031 353  98 ILE CG1  C  27.471 0.1   1 
      1032 353  98 ILE CG2  C  18.143 0.072 1 
      1033 353  98 ILE CD1  C  13.293 0.028 1 
      1034 353  98 ILE N    N 121.257 0.031 1 
      1035 354  99 ASN H    H   9.068 0.01  1 
      1036 354  99 ASN HA   H   4.509 0.005 1 
      1037 354  99 ASN HB2  H   2.721 0.006 2 
      1038 354  99 ASN HB3  H   3.012 0.004 2 
      1039 354  99 ASN HD21 H   6.929 0.007 2 
      1040 354  99 ASN HD22 H   7.587 0.007 2 
      1041 354  99 ASN C    C 175.394 0.004 1 
      1042 354  99 ASN CA   C  53.797 0.085 1 
      1043 354  99 ASN CB   C  37.747 0.09  1 
      1044 354  99 ASN CG   C 177.486 0.005 1 
      1045 354  99 ASN N    N 125.4   0.054 1 
      1046 354  99 ASN ND2  N 111.953 0.25  1 
      1047 355 100 GLY H    H   8.565 0.01  1 
      1048 355 100 GLY HA2  H   3.72  0.006 2 
      1049 355 100 GLY HA3  H   3.994 0.01  2 
      1050 355 100 GLY C    C 173.382 0.004 1 
      1051 355 100 GLY CA   C  45.284 0.11  1 
      1052 355 100 GLY N    N 105.309 0.058 1 
      1053 356 101 GLN H    H   7.906 0.006 1 
      1054 356 101 GLN HA   H   4.465 0.004 1 
      1055 356 101 GLN HB2  H   1.914 0.01  2 
      1056 356 101 GLN HB3  H   2.028 0.008 2 
      1057 356 101 GLN HG2  H   2.237 0.005 2 
      1058 356 101 GLN HE21 H   6.821 0.006 2 
      1059 356 101 GLN HE22 H   7.464 0.007 2 
      1060 356 101 GLN C    C 174.827 0.001 1 
      1061 356 101 GLN CA   C  54.45  0.052 1 
      1062 356 101 GLN CB   C  30.56  0.091 1 
      1063 356 101 GLN CG   C  33.551 0.087 1 
      1064 356 101 GLN CD   C 180.431 0.016 1 
      1065 356 101 GLN N    N 120.079 0.028 1 
      1066 356 101 GLN NE2  N 111.888 0.265 1 
      1067 357 102 VAL H    H   8.274 0.009 1 
      1068 357 102 VAL HA   H   4.224 0.006 1 
      1069 357 102 VAL HB   H   1.92  0.004 1 
      1070 357 102 VAL HG1  H   0.911 0.016 1 
      1071 357 102 VAL HG2  H   0.894 0.005 1 
      1072 357 102 VAL C    C 175.549 0.003 1 
      1073 357 102 VAL CA   C  62.865 0.087 1 
      1074 357 102 VAL CB   C  32.241 0.048 1 
      1075 357 102 VAL CG1  C  21.217 0.153 1 
      1076 357 102 VAL CG2  C  21.499 0.073 1 
      1077 357 102 VAL N    N 124.369 0.033 1 
      1078 358 103 ILE H    H   8.113 0.008 1 
      1079 358 103 ILE HA   H   4.052 0.005 1 
      1080 358 103 ILE HB   H   1.72  0.007 1 
      1081 358 103 ILE HG12 H   1.168 0.007 1 
      1082 358 103 ILE HG13 H   1.215 0.005 1 
      1083 358 103 ILE HG2  H   0.796 0.005 1 
      1084 358 103 ILE HD1  H   0.651 0.006 1 
      1085 358 103 ILE C    C 180.783 0.08  1 
      1086 358 103 ILE CA   C  61.903 0.028 1 
      1087 358 103 ILE CB   C  38.778 0.068 1 
      1088 358 103 ILE CG1  C  27.358 0.06  1 
      1089 358 103 ILE CG2  C  17.967 0.056 1 
      1090 358 103 ILE CD1  C  12.213 0.036 1 
      1091 358 103 ILE N    N 132.142 0.059 1 

   stop_

save_