data_6401

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

save_entry_information
   _Saveframe_category      entry_information

   _Entry_title            
;
NMR assignment of R55F mutant of Mason-Pfizer monkey virus matrix protein
;
   _BMRB_accession_number   6401
   _BMRB_flat_file_name     bmr6401.str
   _Entry_type              original
   _Submission_date         2004-11-24
   _Accession_date          2004-11-24
   _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 Veverka Vaclav   . . 
      2 Vlach   Jiri     . . 
      3 Lipov   Jan      . . 
      4 Rumlova Michaela . . 
      5 Ruml    Tomas    . . 
      6 Hrabal  Richard  . . 

   stop_

   loop_
      _Saveframe_category_type
      _Saveframe_category_type_count

      assigned_chemical_shifts 1 

   stop_

   loop_
      _Data_type
      _Data_type_count

      "1H chemical shifts"  476 
      "13C chemical shifts" 297 
      "15N chemical shifts"  90 

   stop_

   loop_
      _Revision_date
      _Revision_keyword
      _Revision_author
      _Revision_detail

      2005-07-26 original author . 

   stop_

   loop_
      _Related_BMRB_accession_number
      _Relationship

      6400 'wt ma' 

   stop_

   _Original_release_date   2005-07-26

save_


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

save_entry_citation
   _Saveframe_category           entry_citation

   _Citation_full                .
   _Citation_title              
;
Letter to the Editor: Assignment of 1H, 13C, and 15N resonances of WT
matrix protein and its R55F mutant from Mason-Pfizer monkey virus
;
   _Citation_status              published
   _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 Vlach   Jiri    . . 
      2 Lipov   Jan     . . 
      3 Veverka V.      . . 
      4 Rumlova M.      . . 
      5 Ruml    Tomas   . . 
      6 Hrabal  Richard . . 

   stop_

   _Journal_abbreviation        'J. Biomol. NMR'
   _Journal_volume               31
   _Journal_issue                4
   _Journal_CSD                  .
   _Book_chapter_title           .
   _Book_volume                  .
   _Book_series                  .
   _Book_ISBN                    .
   _Conference_state_province    .
   _Conference_abstract_number   .
   _Page_first                   381
   _Page_last                    382
   _Year                         2005
   _Details                      .

save_


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

save_assembly
   _Saveframe_category         molecular_system

   _Mol_system_name            R55F
   _Abbreviation_common        R55F
   _Enzyme_commission_number   .

   loop_
      _Mol_system_component_name
      _Mol_label

      R55F $R55F_mutant_of_M-PMV_matrix_protein 

   stop_

   _System_molecular_weight    .
   _System_physical_state      native
   _System_oligomer_state      monomer
   _System_paramagnetic        no
   _System_thiol_state        'all free'
   _Database_query_date        .
   _Details                    .

save_


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

save_R55F_mutant_of_M-PMV_matrix_protein
   _Saveframe_category                          monomeric_polymer

   _Mol_type                                    polymer
   _Mol_polymer_class                           protein
   _Name_common                                 R55F
   _Abbreviation_common                         R55F
   _Molecular_mass                              .
   _Mol_thiol_state                            'all free'
   _Details                                     .

   	##############################
   	#  Polymer residue sequence  #
   	##############################
   
      _Residue_count                               100
   _Mol_residue_sequence                       
;
MGQELSQHERYVEQLKQALK
TRGVKVKYADLLKFFDFVKD
TCPWFPQEGTIDIKFWRRVG
DCFQDYYNTFGPEKVPVTAF
SYWNLIKELIDKKEVNPQVM
;

   loop_
      _Residue_seq_code
      _Residue_label

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

   stop_

   _Sequence_homology_query_date                .
   _Sequence_homology_query_revised_last_date   2015-01-28

   loop_
      _Database_name
      _Database_accession_code
      _Database_entry_mol_name
      _Sequence_query_to_submitted_percentage
      _Sequence_subject_length
      _Sequence_identity
      _Sequence_positive
      _Sequence_homology_expectation_value

      BMRB     18282  M-PMV_MATRIX_PROTEIN                                                                                                              99.00  124  98.99  98.99 3.31e-66 
      BMRB     25087  MPMV_MA_Y28F_Y67F                                                                                                                 99.00  125  96.97  98.99 5.09e-65 
      BMRB      6400  wild-type_matrix_protein_of_M-PMV                                                                                                100.00  100  99.00  99.00 3.67e-66 
      PDB  1BAX       "Mason-Pfizer Monkey Virus Matrix Protein, Nmr, Average Structure"                                                                 94.00   94  98.94  98.94 3.35e-61 
      PDB  2F76       "Solution Structure Of The M-Pmv Wild Type Matrix Protein (P10)"                                                                  100.00  100  99.00  99.00 3.67e-66 
      PDB  2F77       "Solution Structure Of The R55f Mutant Of M-Pmv Matrix Protein (P10)"                                                             100.00  100 100.00 100.00 2.96e-67 
      PDB  2LPY       "Solution Structure Of The M-Pmv Myristoylated Matrix Protein"                                                                     99.00  124  98.99  98.99 3.31e-66 
      GB   AAA47710   "gag polyprotein [Mason-Pfizer monkey virus]"                                                                                     100.00  657  99.00  99.00 5.49e-62 
      GB   AAA47730   "gag polyprotein [Simian retrovirus 1]"                                                                                           100.00  658  99.00  99.00 4.67e-62 
      GB   AAC82573   "Pr78 [Mason-Pfizer monkey virus]"                                                                                                100.00  657  99.00  99.00 5.49e-62 
      GB   AAC82574   "Pr95 [Mason-Pfizer monkey virus]"                                                                                                100.00  911  99.00  99.00 2.27e-61 
      GB   AAC82576   "RT-IN [Mason-Pfizer monkey virus]"                                                                                               100.00 1771  99.00  99.00 4.12e-62 
      PIR  FOLJSA     "gag polyprotein - simian AIDS retrovirus SRV-1"                                                                                  100.00  658  99.00  99.00 4.67e-62 
      REF  NP_056891  "RT-IN [Mason-Pfizer monkey virus]"                                                                                               100.00 1771  99.00  99.00 4.12e-62 
      REF  NP_056892  "Pr95 [Mason-Pfizer monkey virus]"                                                                                                100.00  911  99.00  99.00 2.27e-61 
      REF  NP_056893  "Pr78 [Mason-Pfizer monkey virus]"                                                                                                100.00  657  99.00  99.00 5.49e-62 
      REF  NP_954557  "p10 MA [Mason-Pfizer monkey virus]"                                                                                               99.00   99  98.99  98.99 4.01e-65 
      REF  NP_954565  "RT-IN [Mason-Pfizer monkey virus]"                                                                                               100.00 1771  99.00  99.00 4.12e-62 
      SP   P04022     "RecName: Full=Gag polyprotein; AltName: Full=Core polyprotein; Contains: RecName: Full=Matrix protein p10; Contains: RecName: F" 100.00  658  99.00  99.00 4.67e-62 
      SP   P07567     "RecName: Full=Gag polyprotein; AltName: Full=Core polyprotein; Contains: RecName: Full=Matrix protein p10; Contains: RecName: F" 100.00  657  99.00  99.00 5.49e-62 

   stop_

save_


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

save_natural_source
   _Saveframe_category   natural_source


   loop_
      _Mol_label
      _Organism_name_common
      _NCBI_taxonomy_ID
      _Superkingdom
      _Kingdom
      _Genus
      _Species

      $R55F_mutant_of_M-PMV_matrix_protein 'Mason-Pfizer monkey virus' 11855 Viruses . Betaretrovirus 'Mason-Pfizer monkey virus' 

   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

      $R55F_mutant_of_M-PMV_matrix_protein 'recombinant technology' . . . . . 

   stop_

save_


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

save_sample_1
   _Saveframe_category   sample

   _Sample_type          solution
   _Details              .

   loop_
      _Mol_label
      _Concentration_value
      _Concentration_value_units
      _Isotopic_labeling

      $R55F_mutant_of_M-PMV_matrix_protein   1 mM '[U-13C; U-15N]' 
       NaH2PO4/Na2HPO4                     100 mM  .               
       NaCl                                200 mM  .               
       D2O                                  10 %   .               
       DTT                                   5 %   .               

   stop_

save_


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

save_NMRPipe
   _Saveframe_category   software

   _Name                 NMRPipe
   _Version              2.3
   _Details              .

save_


save_Sparky
   _Saveframe_category   software

   _Name                 Sparky
   _Version              3.110
   _Details              .

save_


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

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

save_500_MHz_Bruker_Avance
   _Saveframe_category   NMR_spectrometer

   _Manufacturer         Bruker
   _Model                Avance
   _Field_strength       500
   _Details              .

save_


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

save_1H15N_HSQC_1
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '1H15N HSQC'
   _Sample_label        $sample_1

save_


save_1H13C_HSQC_2
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '1H13C HSQC'
   _Sample_label        $sample_1

save_


save_HNCA_3
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name      HNCA
   _Sample_label        $sample_1

save_


save_HN(CO)CA_4
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name      HN(CO)CA
   _Sample_label        $sample_1

save_


save_HNCACB_5
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name      HNCACB
   _Sample_label        $sample_1

save_


save_CBCA(CO)NH_6
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name      CBCA(CO)NH
   _Sample_label        $sample_1

save_


save_CC-TOCSY_7
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name      CC-TOCSY
   _Sample_label        $sample_1

save_


save_HcCH-COSY_8
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name      HcCH-COSY
   _Sample_label        $sample_1

save_


save_3D_15N-edited_NOESY_9
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D 15N-edited NOESY'
   _Sample_label        $sample_1

save_


save_3D_13C-edited_NOESY_10
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D 13C-edited NOESY'
   _Sample_label        $sample_1

save_


save_4D_13C,15N-edited_NOESY_11
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '4D 13C,15N-edited NOESY'
   _Sample_label        $sample_1

save_


save_NMR_spec_expt__0_1
   _Saveframe_category                     NMR_applied_experiment

   _Experiment_name                       '1H15N HSQC'
   _BMRB_pulse_sequence_accession_number   .
   _Details                                .

save_


save_NMR_spec_expt__0_2
   _Saveframe_category                     NMR_applied_experiment

   _Experiment_name                       '1H13C HSQC'
   _BMRB_pulse_sequence_accession_number   .
   _Details                                .

save_


save_NMR_spec_expt__0_3
   _Saveframe_category                     NMR_applied_experiment

   _Experiment_name                        HNCA
   _BMRB_pulse_sequence_accession_number   .
   _Details                                .

save_


save_NMR_spec_expt__0_4
   _Saveframe_category                     NMR_applied_experiment

   _Experiment_name                        HN(CO)CA
   _BMRB_pulse_sequence_accession_number   .
   _Details                                .

save_


save_NMR_spec_expt__0_5
   _Saveframe_category                     NMR_applied_experiment

   _Experiment_name                        HNCACB
   _BMRB_pulse_sequence_accession_number   .
   _Details                                .

save_


save_NMR_spec_expt__0_6
   _Saveframe_category                     NMR_applied_experiment

   _Experiment_name                        CBCA(CO)NH
   _BMRB_pulse_sequence_accession_number   .
   _Details                                .

save_


save_NMR_spec_expt__0_7
   _Saveframe_category                     NMR_applied_experiment

   _Experiment_name                        CC-TOCSY
   _BMRB_pulse_sequence_accession_number   .
   _Details                                .

save_


save_NMR_spec_expt__0_8
   _Saveframe_category                     NMR_applied_experiment

   _Experiment_name                        HcCH-COSY
   _BMRB_pulse_sequence_accession_number   .
   _Details                                .

save_


save_NMR_spec_expt__0_9
   _Saveframe_category                     NMR_applied_experiment

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

save_


save_NMR_spec_expt__0_10
   _Saveframe_category                     NMR_applied_experiment

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

save_


save_NMR_spec_expt__0_11
   _Saveframe_category                     NMR_applied_experiment

   _Experiment_name                       '4D 13C,15N-edited NOESY'
   _BMRB_pulse_sequence_accession_number   .
   _Details                                .

save_


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

save_conditions_1
   _Saveframe_category   sample_conditions

   _Details              .

   loop_
      _Variable_type
      _Variable_value
      _Variable_value_error
      _Variable_value_units

      pH            6.0 0.1 pH 
      temperature 298   0.1 K  

   stop_

save_


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

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

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

save_chemical_shift_referencing
   _Saveframe_category   chemical_shift_reference

   _Details              .

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

      DSS H  1 'methyl protons' ppm 0 internal direct   . . . 1.0         $entry_citation $entry_citation 
      DSS C 13 'methyl carbons' ppm 0 internal indirect . . . 0.25145     $entry_citation $entry_citation 
      DSS N 15 'methyl protons' ppm 0 internal 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        R55F
   _Text_data_format                 .
   _Text_data                        .

   loop_
      _Atom_shift_assign_ID
      _Residue_author_seq_code
      _Residue_seq_code
      _Residue_label
      _Atom_name
      _Atom_type
      _Chem_shift_value
      _Chem_shift_value_error
      _Chem_shift_ambiguity_code

        1 .   1 MET CA   C  55.453 0.098 1 
        2 .   1 MET CB   C  31.555 0.055 1 
        3 .   1 MET CG   C  35.359 0.052 1 
        4 .   1 MET HA   H   3.964 0.007 1 
        5 .   1 MET HB2  H   1.817 0.021 2 
        6 .   1 MET HB3  H   1.684 0.010 2 
        7 .   1 MET HG2  H   1.881 0.004 2 
        8 .   2 GLY CA   C  45.215 0.014 1 
        9 .   2 GLY H    H   8.448 0.010 1 
       10 .   2 GLY N    N 109.920 0.042 1 
       11 .   2 GLY HA2  H   3.955 0.014 2 
       12 .   3 GLN CA   C  56.111 0.044 1 
       13 .   3 GLN CB   C  29.671 0.089 1 
       14 .   3 GLN CG   C  33.962 0.011 1 
       15 .   3 GLN HA   H   4.289 0.011 1 
       16 .   3 GLN HB2  H   2.014 0.015 2 
       17 .   3 GLN HB3  H   1.917 0.004 2 
       18 .   3 GLN H    H   8.270 0.020 1 
       19 .   3 GLN N    N 119.673 0.201 1 
       20 .   3 GLN HG2  H   2.292 0.010 2 
       21 .   4 GLU CA   C  56.641 0.149 1 
       22 .   4 GLU CB   C  30.264 0.074 1 
       23 .   4 GLU CG   C  36.139 0.011 1 
       24 .   4 GLU HA   H   4.252 0.009 1 
       25 .   4 GLU H    H   8.599 0.005 1 
       26 .   4 GLU N    N 122.630 0.049 1 
       27 .   4 GLU HB2  H   1.923 0.027 2 
       28 .   4 GLU HG2  H   2.216 0.012 2 
       29 .   5 LEU CA   C  55.296 0.052 1 
       30 .   5 LEU CB   C  43.073 0.050 1 
       31 .   5 LEU CD1  C  25.215 0.120 2 
       32 .   5 LEU CD2  C  23.190 0.030 2 
       33 .   5 LEU CG   C  27.248 0.041 1 
       34 .   5 LEU HA   H   4.393 0.006 1 
       35 .   5 LEU HG   H   1.617 0.021 1 
       36 .   5 LEU H    H   8.283 0.009 1 
       37 .   5 LEU N    N 123.661 0.057 1 
       38 .   5 LEU HB2  H   1.544 0.012 2 
       39 .   5 LEU HD1  H   0.753 0.011 2 
       40 .   5 LEU HD2  H   0.716 0.002 2 
       41 .   6 SER CA   C  58.056 0.080 1 
       42 .   6 SER CB   C  65.019 0.063 1 
       43 .   6 SER HA   H   4.446 0.010 1 
       44 .   6 SER HB2  H   4.266 0.011 2 
       45 .   6 SER HB3  H   4.025 0.010 2 
       46 .   6 SER H    H   8.933 0.007 1 
       47 .   6 SER N    N 118.588 0.058 1 
       48 .   7 GLN CA   C  59.618 0.023 1 
       49 .   7 GLN CB   C  27.988 0.088 1 
       50 .   7 GLN CG   C  33.441 0.072 1 
       51 .   7 GLN HA   H   3.963 0.007 1 
       52 .   7 GLN H    H   8.866 0.010 1 
       53 .   7 GLN N    N 121.054 0.083 1 
       54 .   7 GLN HB2  H   2.097 0.009 2 
       55 .   7 GLN HG2  H   2.469 0.009 2 
       56 .   8 HIS CA   C  59.329 0.104 1 
       57 .   8 HIS CB   C  29.159 0.111 1 
       58 .   8 HIS HA   H   4.413 0.014 1 
       59 .   8 HIS HB2  H   3.226 0.009 2 
       60 .   8 HIS HB3  H   3.036 0.016 2 
       61 .   8 HIS HD2  H   7.371 0.022 2 
       62 .   8 HIS H    H   8.690 0.012 1 
       63 .   8 HIS N    N 118.408 0.071 1 
       64 .   9 GLU CA   C  59.602 0.061 1 
       65 .   9 GLU CB   C  30.291 0.038 1 
       66 .   9 GLU CG   C  37.457 0.123 1 
       67 .   9 GLU HA   H   3.900 0.010 1 
       68 .   9 GLU H    H   7.860 0.010 1 
       69 .   9 GLU N    N 118.573 0.056 1 
       70 .   9 GLU HB2  H   2.158 0.009 2 
       71 .   9 GLU HG2  H   2.346 0.013 2 
       72 .  10 ARG CA   C  59.604 0.015 1 
       73 .  10 ARG CB   C  30.185 0.052 1 
       74 .  10 ARG CD   C  43.505 0.035 1 
       75 .  10 ARG CG   C  28.028 0.160 1 
       76 .  10 ARG HA   H   3.948 0.006 1 
       77 .  10 ARG HD2  H   3.161 0.005 2 
       78 .  10 ARG HD3  H   3.100 0.004 2 
       79 .  10 ARG H    H   8.380 0.016 1 
       80 .  10 ARG N    N 119.038 0.069 1 
       81 .  10 ARG HB2  H   1.829 0.013 2 
       82 .  10 ARG HG2  H   1.550 0.012 2 
       83 .  11 TYR CA   C  61.045 0.057 1 
       84 .  11 TYR CB   C  38.297 0.016 1 
       85 .  11 TYR HA   H   4.116 0.009 1 
       86 .  11 TYR H    H   8.073 0.034 1 
       87 .  11 TYR HB2  H   3.052 0.005 2 
       88 .  11 TYR HD1  H   6.712 0.028 3 
       89 .  12 VAL CA   C  67.208 0.112 1 
       90 .  12 VAL CB   C  31.275 0.103 1 
       91 .  12 VAL CG1  C  22.756 0.077 2 
       92 .  12 VAL HA   H   3.058 0.009 1 
       93 .  12 VAL HB   H   1.985 0.011 1 
       94 .  12 VAL H    H   7.605 0.012 1 
       95 .  12 VAL N    N 118.345 0.075 1 
       96 .  12 VAL HG1  H   0.598 0.008 2 
       97 .  13 GLU CA   C  59.627 0.106 1 
       98 .  13 GLU CB   C  29.142 0.066 1 
       99 .  13 GLU CG   C  35.457 0.153 1 
      100 .  13 GLU HA   H   4.141 0.010 1 
      101 .  13 GLU H    H   8.531 0.011 1 
      102 .  13 GLU N    N 121.056 0.061 1 
      103 .  13 GLU HB2  H   2.120 0.007 2 
      104 .  13 GLU HG2  H   2.098 0.014 2 
      105 .  14 GLN CA   C  59.263 0.053 1 
      106 .  14 GLN CB   C  28.030 0.049 1 
      107 .  14 GLN CG   C  34.414 0.091 1 
      108 .  14 GLN HA   H   3.915 0.005 1 
      109 .  14 GLN HB2  H   2.135 0.011 2 
      110 .  14 GLN HB3  H   1.983 0.016 2 
      111 .  14 GLN H    H   8.354 0.008 1 
      112 .  14 GLN N    N 118.201 0.050 1 
      113 .  14 GLN HG2  H   2.453 0.005 2 
      114 .  15 LEU CA   C  57.821 0.142 1 
      115 .  15 LEU CB   C  42.123 0.064 1 
      116 .  15 LEU CD1  C  25.842 0.113 2 
      117 .  15 LEU CG   C  26.911 0.086 1 
      118 .  15 LEU HA   H   3.891 0.014 1 
      119 .  15 LEU HB2  H   1.663 0.010 2 
      120 .  15 LEU HB3  H   1.032 0.010 2 
      121 .  15 LEU HG   H   1.249 0.010 1 
      122 .  15 LEU H    H   7.402 0.016 1 
      123 .  15 LEU N    N 121.775 0.063 1 
      124 .  15 LEU HD1  H   0.599 0.020 2 
      125 .  16 LYS CA   C  60.596 0.065 1 
      126 .  16 LYS CB   C  32.232 0.057 1 
      127 .  16 LYS CD   C  29.360 0.123 1 
      128 .  16 LYS CE   C  42.242 0.072 1 
      129 .  16 LYS CG   C  24.831 0.071 1 
      130 .  16 LYS HA   H   3.588 0.010 1 
      131 .  16 LYS HB2  H   2.223 0.012 2 
      132 .  16 LYS HB3  H   1.698 0.007 2 
      133 .  16 LYS H    H   8.011 1.418 1 
      134 .  16 LYS N    N 120.509 0.077 1 
      135 .  16 LYS HD2  H   1.631 0.011 2 
      136 .  16 LYS HE2  H   2.919 0.017 2 
      137 .  16 LYS HG2  H   1.184 0.011 2 
      138 .  17 GLN CA   C  58.633 0.072 1 
      139 .  17 GLN CB   C  27.993 0.043 1 
      140 .  17 GLN CG   C  33.986 0.013 1 
      141 .  17 GLN HA   H   4.005 0.010 1 
      142 .  17 GLN H    H   8.412 0.005 1 
      143 .  17 GLN N    N 118.558 0.055 1 
      144 .  17 GLN HB2  H   2.094 0.008 2 
      145 .  17 GLN HG2  H   2.494 0.011 2 
      146 .  18 ALA CA   C  55.236 0.073 1 
      147 .  18 ALA CB   C  18.662 0.048 1 
      148 .  18 ALA HA   H   4.099 0.009 1 
      149 .  18 ALA H    H   8.135 0.009 1 
      150 .  18 ALA N    N 124.033 0.058 1 
      151 .  18 ALA HB   H   1.459 0.016 1 
      152 .  19 LEU CA   C  58.196 0.096 1 
      153 .  19 LEU CB   C  40.823 0.042 1 
      154 .  19 LEU CD1  C  24.294 0.147 2 
      155 .  19 LEU CG   C  26.924 0.107 1 
      156 .  19 LEU HA   H   3.832 0.014 1 
      157 .  19 LEU HB2  H   1.893 0.013 2 
      158 .  19 LEU HB3  H   1.323 0.012 2 
      159 .  19 LEU H    H   8.353 0.011 1 
      160 .  19 LEU N    N 119.126 0.053 1 
      161 .  19 LEU HD1  H   0.664 0.010 2 
      162 .  20 LYS CA   C  59.950 0.058 1 
      163 .  20 LYS CB   C  32.084 0.044 1 
      164 .  20 LYS CD   C  29.280 0.071 1 
      165 .  20 LYS CG   C  25.419 0.086 1 
      166 .  20 LYS HA   H   4.011 0.007 1 
      167 .  20 LYS H    H   8.075 0.013 1 
      168 .  20 LYS HB2  H   2.041 0.008 2 
      169 .  20 LYS HG2  H   1.662 0.012 2 
      170 .  21 THR CA   C  65.839 0.097 1 
      171 .  21 THR CB   C  69.159 0.064 1 
      172 .  21 THR CG2  C  21.995 0.030 1 
      173 .  21 THR HA   H   4.038 0.012 1 
      174 .  21 THR HB   H   4.277 0.008 1 
      175 .  21 THR H    H   8.114 0.008 1 
      176 .  21 THR N    N 115.235 0.060 1 
      177 .  21 THR HG2  H   1.287 0.013 1 
      178 .  22 ARG CA   C  55.438 0.087 1 
      179 .  22 ARG CB   C  29.930 0.134 1 
      180 .  22 ARG CD   C  43.048 0.042 1 
      181 .  22 ARG CG   C  27.260 0.105 1 
      182 .  22 ARG HA   H   4.384 0.015 1 
      183 .  22 ARG HB2  H   2.118 0.006 2 
      184 .  22 ARG HB3  H   1.827 0.008 2 
      185 .  22 ARG HD2  H   3.123 0.006 2 
      186 .  22 ARG HD3  H   3.023 0.004 2 
      187 .  22 ARG H    H   7.283 0.011 1 
      188 .  22 ARG N    N 119.103 0.059 1 
      189 .  22 ARG HG2  H   1.656 0.007 2 
      190 .  23 GLY CA   C  45.570 0.073 1 
      191 .  23 GLY HA2  H   3.672 0.011 2 
      192 .  23 GLY HA3  H   4.154 0.011 2 
      193 .  23 GLY H    H   7.901 0.006 1 
      194 .  23 GLY N    N 107.001 0.031 1 
      195 .  24 VAL CA   C  61.919 0.100 1 
      196 .  24 VAL CB   C  32.830 0.049 1 
      197 .  24 VAL CG1  C  20.773 0.164 2 
      198 .  24 VAL CG2  C  21.870 0.143 2 
      199 .  24 VAL HA   H   3.979 0.020 1 
      200 .  24 VAL HB   H   1.751 0.010 1 
      201 .  24 VAL H    H   7.802 0.009 1 
      202 .  24 VAL N    N 121.980 0.033 1 
      203 .  24 VAL HG1  H   0.793 0.031 2 
      204 .  24 VAL HG2  H   0.742 0.005 2 
      205 .  25 LYS CA   C  56.192 0.142 1 
      206 .  25 LYS CB   C  32.452 0.083 1 
      207 .  25 LYS CD   C  29.267 0.006 1 
      208 .  25 LYS CG   C  24.905 0.038 1 
      209 .  25 LYS HA   H   4.220 0.007 1 
      210 .  25 LYS HG2  H   1.380 0.011 2 
      211 .  25 LYS HG3  H   1.619 0.002 2 
      212 .  25 LYS H    H   8.613 0.008 1 
      213 .  25 LYS N    N 128.546 0.052 1 
      214 .  25 LYS HB2  H   1.675 0.014 2 
      215 .  26 VAL CA   C  59.593 0.027 1 
      216 .  26 VAL CB   C  34.700 0.082 1 
      217 .  26 VAL CG1  C  21.340 0.123 2 
      218 .  26 VAL HA   H   4.422 0.015 1 
      219 .  26 VAL HB   H   1.921 0.007 1 
      220 .  26 VAL H    H   7.743 0.008 1 
      221 .  26 VAL N    N 121.427 0.036 1 
      222 .  26 VAL HG1  H   0.753 0.008 2 
      223 .  27 LYS CA   C  55.867 0.079 1 
      224 .  27 LYS CB   C  32.876 0.006 1 
      225 .  27 LYS CG   C  25.422 0.035 1 
      226 .  27 LYS HA   H   4.436 0.009 1 
      227 .  27 LYS H    H   8.828 0.016 1 
      228 .  27 LYS N    N 124.126 0.055 1 
      229 .  27 LYS HB2  H   1.901 0.012 2 
      230 .  27 LYS HE2  H   2.988 0.022 2 
      231 .  27 LYS HG2  H   1.498 0.015 2 
      232 .  28 TYR CA   C  62.898 0.092 1 
      233 .  28 TYR CB   C  38.796 0.114 1 
      234 .  28 TYR HA   H   3.753 0.007 1 
      235 .  28 TYR H    H   7.997 0.010 1 
      236 .  28 TYR HB2  H   3.082 0.015 2 
      237 .  28 TYR HD1  H   6.826 0.009 3 
      238 .  29 ALA CA   C  55.339 0.079 1 
      239 .  29 ALA CB   C  18.893 0.036 1 
      240 .  29 ALA HA   H   3.807 0.006 1 
      241 .  29 ALA H    H   9.074 0.010 1 
      242 .  29 ALA N    N 117.487 0.038 1 
      243 .  29 ALA HB   H   1.423 0.010 1 
      244 .  30 ASP CA   C  56.946 0.082 1 
      245 .  30 ASP CB   C  40.775 0.043 1 
      246 .  30 ASP HA   H   4.454 0.009 1 
      247 .  30 ASP H    H   6.757 0.009 1 
      248 .  30 ASP N    N 115.852 0.057 1 
      249 .  30 ASP HB2  H   2.824 0.015 2 
      250 .  31 LEU CA   C  57.355 0.131 1 
      251 .  31 LEU CB   C  42.202 0.091 1 
      252 .  31 LEU CD1  C  23.951 0.092 2 
      253 .  31 LEU CD2  C  24.837 0.087 2 
      254 .  31 LEU CG   C  26.534 0.088 1 
      255 .  31 LEU HA   H   3.981 0.015 1 
      256 .  31 LEU HB2  H   1.612 0.008 2 
      257 .  31 LEU HB3  H   1.345 0.015 2 
      258 .  31 LEU HG   H   0.304 0.010 1 
      259 .  31 LEU H    H   7.777 0.011 1 
      260 .  31 LEU N    N 123.068 0.094 1 
      261 .  31 LEU HD1  H   0.725 0.009 2 
      262 .  31 LEU HD2  H   0.887 0.013 2 
      263 .  32 LEU CA   C  58.826 0.115 1 
      264 .  32 LEU CB   C  41.987 0.085 1 
      265 .  32 LEU CD1  C  25.095 0.072 2 
      266 .  32 LEU CD2  C  24.604 0.065 2 
      267 .  32 LEU CG   C  26.472 0.141 1 
      268 .  32 LEU HA   H   3.954 0.006 1 
      269 .  32 LEU HB2  H   1.632 0.008 2 
      270 .  32 LEU HB3  H   1.136 0.015 2 
      271 .  32 LEU HG   H   1.419 0.020 1 
      272 .  32 LEU H    H   8.619 0.011 1 
      273 .  32 LEU N    N 120.334 0.040 1 
      274 .  32 LEU HD1  H   0.630 0.017 2 
      275 .  32 LEU HD2  H   0.820 0.016 2 
      276 .  33 LYS CA   C  59.465 0.072 1 
      277 .  33 LYS CB   C  32.220 0.046 1 
      278 .  33 LYS CD   C  29.283 0.071 1 
      279 .  33 LYS CE   C  42.183 0.000 1 
      280 .  33 LYS CG   C  25.298 0.108 1 
      281 .  33 LYS HA   H   4.138 0.011 1 
      282 .  33 LYS H    H   7.565 0.012 1 
      283 .  33 LYS N    N 118.447 0.061 1 
      284 .  33 LYS HB2  H   1.951 0.009 2 
      285 .  33 LYS HD2  H   1.703 0.006 2 
      286 .  33 LYS HE2  H   2.978 0.010 2 
      287 .  33 LYS HG2  H   1.507 0.010 2 
      288 .  34 PHE CA   C  61.230 0.068 1 
      289 .  34 PHE CB   C  38.411 0.083 1 
      290 .  34 PHE HA   H   4.375 0.010 1 
      291 .  34 PHE H    H   7.923 0.018 1 
      292 .  34 PHE N    N 121.343 0.016 1 
      293 .  34 PHE HB2  H   3.054 0.011 2 
      294 .  34 PHE HD1  H   6.821 0.013 3 
      295 .  35 PHE CA   C  64.548 0.158 1 
      296 .  35 PHE CB   C  37.898 0.111 1 
      297 .  35 PHE HA   H   3.872 0.008 1 
      298 .  35 PHE HB2  H   3.696 0.013 2 
      299 .  35 PHE HB3  H   2.907 0.010 2 
      300 .  35 PHE H    H   8.424 0.006 1 
      301 .  35 PHE N    N 117.514 0.068 1 
      302 .  35 PHE HD1  H   6.889 0.014 3 
      303 .  35 PHE HE1  H   7.007 0.013 3 
      304 .  36 ASP CA   C  57.720 0.126 1 
      305 .  36 ASP CB   C  39.880 0.097 1 
      306 .  36 ASP HA   H   4.571 0.018 1 
      307 .  36 ASP HB2  H   2.933 0.008 2 
      308 .  36 ASP HB3  H   2.726 0.014 2 
      309 .  36 ASP H    H   8.374 0.015 1 
      310 .  36 ASP N    N 125.072 0.067 1 
      311 .  37 PHE CA   C  61.483 0.114 1 
      312 .  37 PHE CB   C  38.529 0.045 1 
      313 .  37 PHE HA   H   4.333 0.008 1 
      314 .  37 PHE H    H   7.633 0.017 1 
      315 .  37 PHE N    N 123.318 0.074 1 
      316 .  37 PHE HB2  H   3.207 0.011 2 
      317 .  37 PHE HD1  H   6.865 0.021 3 
      318 .  37 PHE HE1  H   7.031 0.022 3 
      319 .  38 VAL CA   C  67.319 0.079 1 
      320 .  38 VAL CB   C  31.228 0.067 1 
      321 .  38 VAL CG1  C  23.464 0.062 2 
      322 .  38 VAL CG2  C  21.820 0.088 2 
      323 .  38 VAL HA   H   2.934 0.012 1 
      324 .  38 VAL HB   H   1.999 0.011 1 
      325 .  38 VAL H    H   8.166 0.021 1 
      326 .  38 VAL N    N 121.484 0.108 1 
      327 .  38 VAL HG1  H   0.192 0.008 2 
      328 .  38 VAL HG2  H   0.523 0.015 2 
      329 .  39 LYS CA   C  59.033 0.109 1 
      330 .  39 LYS CB   C  31.603 0.054 1 
      331 .  39 LYS CD   C  29.283 0.000 1 
      332 .  39 LYS CG   C  25.527 0.025 1 
      333 .  39 LYS HA   H   3.738 0.007 1 
      334 .  39 LYS H    H   7.694 0.010 1 
      335 .  39 LYS N    N 119.821 0.059 1 
      336 .  39 LYS HB2  H   1.774 0.011 2 
      337 .  39 LYS HG2  H   1.518 0.006 2 
      338 .  40 ASP CA   C  56.986 0.073 1 
      339 .  40 ASP CB   C  41.399 0.055 1 
      340 .  40 ASP HA   H   4.161 0.011 1 
      341 .  40 ASP HB2  H   2.462 0.011 2 
      342 .  40 ASP HB3  H   2.401 0.005 2 
      343 .  40 ASP H    H   7.514 0.007 1 
      344 .  40 ASP N    N 116.348 0.063 1 
      345 .  41 THR CA   C  64.096 0.099 1 
      346 .  41 THR CB   C  70.026 0.142 1 
      347 .  41 THR CG2  C  22.055 0.076 1 
      348 .  41 THR HA   H   3.795 0.014 1 
      349 .  41 THR HB   H   3.584 0.009 1 
      350 .  41 THR H    H   7.477 0.013 1 
      351 .  41 THR N    N 109.470 0.163 1 
      352 .  41 THR HG2  H   0.430 0.023 1 
      353 .  42 CYS CA   C  55.575 0.150 1 
      354 .  42 CYS CB   C  27.941 0.060 1 
      355 .  42 CYS HA   H   4.301 0.016 1 
      356 .  42 CYS HB2  H   2.557 0.017 2 
      357 .  42 CYS HB3  H   1.017 0.009 2 
      358 .  42 CYS H    H   8.247 0.017 1 
      359 .  42 CYS N    N 118.173 0.078 1 
      360 .  43 PRO CA   C  65.328 0.067 1 
      361 .  43 PRO CB   C  31.243 0.023 1 
      362 .  43 PRO CD   C  50.359 0.062 1 
      363 .  43 PRO CG   C  27.466 0.105 1 
      364 .  43 PRO HA   H   4.311 0.005 1 
      365 .  43 PRO HB2  H   2.382 0.013 2 
      366 .  43 PRO HB3  H   1.967 0.015 2 
      367 .  43 PRO HD2  H   3.525 0.009 2 
      368 .  43 PRO HG2  H   2.031 0.007 2 
      369 .  44 TRP CA   C  53.682 0.089 1 
      370 .  44 TRP CB   C  29.271 0.038 1 
      371 .  44 TRP HA   H   4.313 0.007 1 
      372 .  44 TRP HB2  H   3.544 0.019 2 
      373 .  44 TRP HB3  H   3.125 0.017 2 
      374 .  44 TRP HD1  H   6.965 0.015 1 
      375 .  44 TRP HH2  H   6.523 0.000 1 
      376 .  44 TRP H    H   6.294 0.016 1 
      377 .  44 TRP HZ3  H   6.779 0.010 1 
      378 .  44 TRP N    N 112.956 0.058 1 
      379 .  44 TRP HE1  H   9.972 0.000 1 
      380 .  45 PHE CA   C  56.400 0.028 1 
      381 .  45 PHE CB   C  37.811 0.080 1 
      382 .  45 PHE HA   H   4.253 0.010 1 
      383 .  45 PHE HB2  H   2.613 0.026 2 
      384 .  45 PHE HB3  H   1.688 0.014 2 
      385 .  45 PHE H    H   7.206 0.015 1 
      386 .  45 PHE N    N 126.081 0.054 1 
      387 .  45 PHE HD1  H   6.588 0.011 3 
      388 .  46 PRO CA   C  62.937 0.124 1 
      389 .  46 PRO CB   C  34.668 0.187 1 
      390 .  46 PRO CD   C  50.550 0.083 1 
      391 .  46 PRO CG   C  27.190 0.000 1 
      392 .  46 PRO HA   H   4.739 0.015 1 
      393 .  46 PRO HB2  H   2.299 0.017 2 
      394 .  46 PRO HB3  H   2.030 0.012 2 
      395 .  46 PRO HD2  H   3.824 0.009 2 
      396 .  46 PRO HD3  H   2.634 0.014 2 
      397 .  46 PRO HG2  H   1.944 0.005 2 
      398 .  47 GLN CA   C  56.575 0.068 1 
      399 .  47 GLN CB   C  29.997 0.082 1 
      400 .  47 GLN CG   C  36.171 0.053 1 
      401 .  47 GLN HA   H   4.222 0.012 1 
      402 .  47 GLN H    H   8.537 0.010 1 
      403 .  47 GLN N    N 119.961 0.058 1 
      404 .  47 GLN HB2  H   1.983 0.008 2 
      405 .  47 GLN HG2  H   2.255 0.018 2 
      406 .  48 GLU CA   C  56.212 0.162 1 
      407 .  48 GLU CB   C  32.917 0.060 1 
      408 .  48 GLU HA   H   4.277 0.009 1 
      409 .  48 GLU H    H   8.204 0.012 1 
      410 .  48 GLU N    N 122.037 0.127 1 
      411 .  49 GLY CA   C  43.567 0.075 1 
      412 .  49 GLY H    H   7.918 0.020 1 
      413 .  49 GLY HA2  H   3.848 0.015 2 
      414 .  50 THR CA   C  61.718 0.060 1 
      415 .  50 THR CB   C  69.943 0.206 1 
      416 .  50 THR CG2  C  21.686 0.015 1 
      417 .  50 THR HA   H   4.168 0.008 1 
      418 .  50 THR HB   H   3.947 0.013 1 
      419 .  50 THR H    H   8.612 0.004 1 
      420 .  50 THR N    N 119.691 0.056 1 
      421 .  50 THR HG2  H   1.104 0.005 1 
      422 .  51 ILE CA   C  62.618 0.212 1 
      423 .  51 ILE CB   C  38.688 0.124 1 
      424 .  51 ILE CD1  C  13.872 0.124 1 
      425 .  51 ILE CG1  C  28.045 0.147 1 
      426 .  51 ILE CG2  C  18.564 0.188 1 
      427 .  51 ILE HA   H   4.142 0.009 1 
      428 .  51 ILE HB   H   1.573 0.020 1 
      429 .  51 ILE H    H   8.460 0.014 1 
      430 .  51 ILE N    N 125.372 0.039 1 
      431 .  51 ILE HD1  H   0.461 0.013 1 
      432 .  51 ILE HG12 H   1.225 0.009 2 
      433 .  51 ILE HG13 H   0.732 0.007 2 
      434 .  52 ASP CA   C  53.164 0.041 1 
      435 .  52 ASP CB   C  43.830 0.046 1 
      436 .  52 ASP HA   H   4.775 0.010 1 
      437 .  52 ASP HB2  H   2.814 0.006 2 
      438 .  52 ASP HB3  H   2.692 0.009 2 
      439 .  52 ASP H    H   8.748 0.014 1 
      440 .  52 ASP N    N 128.017 0.075 1 
      441 .  53 ILE CA   C  62.919 0.026 1 
      442 .  53 ILE CB   C  38.437 0.126 1 
      443 .  53 ILE CD1  C  14.483 0.064 1 
      444 .  53 ILE CG1  C  29.429 0.089 1 
      445 .  53 ILE CG2  C  18.510 0.137 1 
      446 .  53 ILE HA   H   4.167 0.006 1 
      447 .  53 ILE HB   H   1.934 0.007 1 
      448 .  53 ILE H    H   9.030 0.012 1 
      449 .  53 ILE N    N 127.863 0.059 1 
      450 .  53 ILE HD1  H   1.005 0.007 1 
      451 .  53 ILE HG12 H   1.492 0.008 2 
      452 .  53 ILE HG13 H   1.045 0.007 2 
      453 .  54 LYS CA   C  60.181 0.071 1 
      454 .  54 LYS CB   C  31.660 0.083 1 
      455 .  54 LYS HA   H   4.123 0.006 1 
      456 .  54 LYS HB2  H   1.961 0.012 2 
      457 .  54 LYS HB3  H   1.752 0.015 2 
      458 .  54 LYS HG2  H   1.507 0.007 2 
      459 .  54 LYS HG3  H   1.307 0.017 2 
      460 .  54 LYS H    H   8.553 0.015 1 
      461 .  54 LYS N    N 122.663 0.041 1 
      462 .  55 PHE CA   C  60.089 0.056 1 
      463 .  55 PHE CB   C  39.149 0.076 1 
      464 .  55 PHE HA   H   4.769 0.012 1 
      465 .  55 PHE HB2  H   3.721 0.012 2 
      466 .  55 PHE HB3  H   3.945 0.011 2 
      467 .  55 PHE H    H   8.108 0.008 1 
      468 .  55 PHE N    N 119.260 0.071 1 
      469 .  55 PHE HD1  H   7.535 0.034 3 
      470 .  55 PHE HE1  H   7.467 0.010 3 
      471 .  56 TRP CA   C  60.004 0.090 1 
      472 .  56 TRP CB   C  30.757 0.095 1 
      473 .  56 TRP HA   H   4.748 0.015 1 
      474 .  56 TRP HB2  H   3.275 0.013 2 
      475 .  56 TRP HB3  H   3.321 0.007 2 
      476 .  56 TRP HD1  H   7.132 0.020 1 
      477 .  56 TRP H    H   9.233 0.017 1 
      478 .  56 TRP N    N 121.526 0.063 1 
      479 .  56 TRP HZ2  H   6.676 0.009 1 
      480 .  57 ARG CA   C  60.744 0.047 1 
      481 .  57 ARG CB   C  30.219 0.056 1 
      482 .  57 ARG CD   C  43.720 0.037 1 
      483 .  57 ARG CG   C  28.348 0.047 1 
      484 .  57 ARG HA   H   4.360 0.007 1 
      485 .  57 ARG HD2  H   3.304 0.011 2 
      486 .  57 ARG HD3  H   3.221 0.010 2 
      487 .  57 ARG HG2  H   2.016 0.009 2 
      488 .  57 ARG HG3  H   1.840 0.007 2 
      489 .  57 ARG H    H   9.063 0.013 1 
      490 .  57 ARG N    N 120.128 0.063 1 
      491 .  57 ARG HB2  H   2.129 0.005 2 
      492 .  58 ARG CA   C  59.780 0.037 1 
      493 .  58 ARG CB   C  30.255 0.128 1 
      494 .  58 ARG CD   C  43.665 0.103 1 
      495 .  58 ARG CG   C  27.458 0.084 1 
      496 .  58 ARG HA   H   4.181 0.011 1 
      497 .  58 ARG HD2  H   2.804 0.010 2 
      498 .  58 ARG HD3  H   2.442 0.016 2 
      499 .  58 ARG HG2  H   1.778 0.007 2 
      500 .  58 ARG HG3  H   1.522 0.012 2 
      501 .  58 ARG H    H   7.381 0.008 1 
      502 .  58 ARG N    N 119.909 0.050 1 
      503 .  58 ARG HB2  H   2.090 0.010 2 
      504 .  59 VAL CA   C  66.260 0.106 1 
      505 .  59 VAL CB   C  31.553 0.083 1 
      506 .  59 VAL CG1  C  22.851 0.135 2 
      507 .  59 VAL CG2  C  20.858 0.087 2 
      508 .  59 VAL HA   H   3.637 0.013 1 
      509 .  59 VAL HB   H   1.454 0.010 1 
      510 .  59 VAL H    H   8.211 0.011 1 
      511 .  59 VAL N    N 122.122 0.099 1 
      512 .  59 VAL HG1  H   0.566 0.011 2 
      513 .  59 VAL HG2  H  -0.511 0.009 2 
      514 .  60 GLY CA   C  46.376 0.051 1 
      515 .  60 GLY HA2  H   1.988 0.014 2 
      516 .  60 GLY HA3  H   2.503 0.012 2 
      517 .  60 GLY H    H   7.426 0.011 1 
      518 .  60 GLY N    N 106.016 0.074 1 
      519 .  61 ASP CA   C  57.220 0.059 1 
      520 .  61 ASP CB   C  40.171 0.050 1 
      521 .  61 ASP HA   H   4.242 0.006 1 
      522 .  61 ASP H    H   7.852 0.022 1 
      523 .  61 ASP N    N 122.332 0.037 1 
      524 .  61 ASP HB2  H   2.697 0.007 2 
      525 .  62 CYS CA   C  62.492 0.079 1 
      526 .  62 CYS CB   C  26.808 0.059 1 
      527 .  62 CYS HA   H   4.222 0.008 1 
      528 .  62 CYS HB2  H   3.164 0.011 2 
      529 .  62 CYS HB3  H   2.904 0.011 2 
      530 .  62 CYS H    H   7.960 0.008 1 
      531 .  62 CYS N    N 120.653 0.062 1 
      532 .  63 PHE CA   C  58.238 0.091 1 
      533 .  63 PHE CB   C  37.181 0.081 1 
      534 .  63 PHE HA   H   4.283 0.007 1 
      535 .  63 PHE HB2  H   3.230 0.011 2 
      536 .  63 PHE HB3  H   2.689 0.011 2 
      537 .  63 PHE H    H   8.619 0.013 1 
      538 .  63 PHE N    N 119.732 0.073 1 
      539 .  63 PHE HD1  H   6.440 0.063 3 
      540 .  63 PHE HE1  H   7.033 0.011 3 
      541 .  64 GLN CA   C  59.516 0.051 1 
      542 .  64 GLN CB   C  28.778 0.065 1 
      543 .  64 GLN CG   C  34.024 0.056 1 
      544 .  64 GLN HA   H   4.122 0.009 1 
      545 .  64 GLN H    H   8.085 0.019 1 
      546 .  64 GLN N    N 118.425 0.053 1 
      547 .  64 GLN HB2  H   2.184 0.012 2 
      548 .  64 GLN HG2  H   2.367 0.017 2 
      549 .  65 ASP CA   C  57.765 0.126 1 
      550 .  65 ASP CB   C  41.257 0.064 1 
      551 .  65 ASP HA   H   4.480 0.007 1 
      552 .  65 ASP HB2  H   2.814 0.008 2 
      553 .  65 ASP HB3  H   2.752 0.004 2 
      554 .  65 ASP H    H   8.221 0.013 1 
      555 .  65 ASP N    N 119.943 0.068 1 
      556 .  66 TYR CA   C  61.543 0.105 1 
      557 .  66 TYR CB   C  38.629 0.082 1 
      558 .  66 TYR HA   H   4.447 0.011 1 
      559 .  66 TYR HB2  H   3.322 0.011 2 
      560 .  66 TYR HB3  H   3.096 0.007 2 
      561 .  66 TYR H    H   8.886 0.016 1 
      562 .  66 TYR N    N 121.495 0.127 1 
      563 .  66 TYR HD1  H   7.183 0.013 3 
      564 .  67 TYR CA   C  61.818 0.058 1 
      565 .  67 TYR CB   C  39.246 0.095 1 
      566 .  67 TYR HA   H   3.990 0.020 1 
      567 .  67 TYR HB2  H   3.417 0.015 2 
      568 .  67 TYR HB3  H   3.198 0.008 2 
      569 .  67 TYR H    H   8.970 0.015 1 
      570 .  67 TYR N    N 121.971 0.125 1 
      571 .  67 TYR HD1  H   6.969 0.021 3 
      572 .  68 ASN CA   C  55.589 0.100 1 
      573 .  68 ASN CB   C  38.352 0.090 1 
      574 .  68 ASN HA   H   4.360 0.013 1 
      575 .  68 ASN HB2  H   3.075 0.015 2 
      576 .  68 ASN HB3  H   2.852 0.006 2 
      577 .  68 ASN H    H   8.774 0.017 1 
      578 .  68 ASN N    N 118.067 0.087 1 
      579 .  69 THR CA   C  65.774 0.118 1 
      580 .  69 THR CB   C  69.745 0.133 1 
      581 .  69 THR CG2  C  20.782 0.069 1 
      582 .  69 THR HA   H   3.812 0.005 1 
      583 .  69 THR HB   H   3.564 0.018 1 
      584 .  69 THR H    H   7.947 0.012 1 
      585 .  69 THR N    N 114.475 0.031 1 
      586 .  69 THR HG2  H   0.246 0.011 1 
      587 .  70 PHE CA   C  59.011 0.109 1 
      588 .  70 PHE CB   C  40.934 0.110 1 
      589 .  70 PHE HA   H   4.537 0.013 1 
      590 .  70 PHE HB2  H   3.084 0.007 2 
      591 .  70 PHE HB3  H   2.540 0.014 2 
      592 .  70 PHE H    H   8.519 0.012 1 
      593 .  70 PHE N    N 117.814 0.052 1 
      594 .  70 PHE HD1  H   7.019 0.024 3 
      595 .  71 GLY CA   C  45.086 0.082 1 
      596 .  71 GLY HA2  H   3.502 0.010 2 
      597 .  71 GLY HA3  H   4.270 0.006 2 
      598 .  71 GLY H    H   7.786 0.016 1 
      599 .  71 GLY N    N 108.952 0.063 1 
      600 .  72 PRO CA   C  64.034 0.068 1 
      601 .  72 PRO CB   C  32.173 0.087 1 
      602 .  72 PRO CD   C  50.313 0.053 1 
      603 .  72 PRO CG   C  27.335 0.106 1 
      604 .  72 PRO HA   H   4.371 0.009 1 
      605 .  72 PRO HB2  H   2.373 0.008 2 
      606 .  72 PRO HB3  H   1.995 0.010 2 
      607 .  72 PRO HG2  H   1.930 0.000 2 
      608 .  72 PRO HD2  H   3.218 0.011 2 
      609 .  72 PRO HG3  H   1.984 0.004 2 
      610 .  73 GLU CA   C  58.797 0.059 1 
      611 .  73 GLU CB   C  29.280 0.041 1 
      612 .  73 GLU CG   C  36.812 0.111 1 
      613 .  73 GLU HA   H   4.026 0.012 1 
      614 .  73 GLU H    H   8.642 0.008 1 
      615 .  73 GLU N    N 116.822 0.084 1 
      616 .  73 GLU HB2  H   1.975 0.011 2 
      617 .  73 GLU HG2  H   2.234 0.011 2 
      618 .  74 LYS CA   C  55.435 0.102 1 
      619 .  74 LYS CB   C  33.819 0.058 1 
      620 .  74 LYS CD   C  28.302 0.122 1 
      621 .  74 LYS CE   C  42.057 0.048 1 
      622 .  74 LYS CG   C  25.364 0.065 1 
      623 .  74 LYS HA   H   4.323 0.011 1 
      624 .  74 LYS HB2  H   2.003 0.010 2 
      625 .  74 LYS HB3  H   1.585 0.013 2 
      626 .  74 LYS HD2  H   1.510 0.008 2 
      627 .  74 LYS HD3  H   1.338 0.007 2 
      628 .  74 LYS HG2  H   1.307 0.009 2 
      629 .  74 LYS HG3  H   1.230 0.006 2 
      630 .  74 LYS H    H   7.468 0.013 1 
      631 .  74 LYS N    N 116.330 0.095 1 
      632 .  74 LYS HE2  H   2.505 0.013 2 
      633 .  75 VAL CA   C  58.928 0.075 1 
      634 .  75 VAL CB   C  33.782 0.071 1 
      635 .  75 VAL CG1  C  21.734 0.053 2 
      636 .  75 VAL CG2  C  21.307 0.115 2 
      637 .  75 VAL HA   H   4.248 0.008 1 
      638 .  75 VAL HB   H   2.101 0.010 1 
      639 .  75 VAL H    H   7.227 0.011 1 
      640 .  75 VAL N    N 118.197 0.092 1 
      641 .  75 VAL HG1  H   1.069 0.015 2 
      642 .  75 VAL HG2  H   0.410 0.013 2 
      643 .  76 PRO CA   C  62.361 0.119 1 
      644 .  76 PRO CB   C  32.336 0.077 1 
      645 .  76 PRO CD   C  50.417 0.087 1 
      646 .  76 PRO CG   C  27.182 0.064 1 
      647 .  76 PRO HA   H   4.439 0.012 1 
      648 .  76 PRO HB2  H   2.222 0.007 2 
      649 .  76 PRO HB3  H   1.659 0.007 2 
      650 .  76 PRO HD2  H   3.146 0.013 2 
      651 .  76 PRO HD3  H   2.344 0.026 2 
      652 .  76 PRO HG2  H   1.634 0.008 2 
      653 .  76 PRO HG3  H   1.382 0.019 2 
      654 .  77 VAL CA   C  65.711 0.086 1 
      655 .  77 VAL CB   C  31.871 0.071 1 
      656 .  77 VAL CG1  C  21.147 0.047 2 
      657 .  77 VAL HA   H   3.888 0.009 1 
      658 .  77 VAL HB   H   2.170 0.008 1 
      659 .  77 VAL H    H   8.562 0.010 1 
      660 .  77 VAL N    N 120.430 0.042 1 
      661 .  77 VAL HG1  H   1.011 0.010 2 
      662 .  78 THR CA   C  62.596 0.089 1 
      663 .  78 THR CB   C  68.865 0.061 1 
      664 .  78 THR CG2  C  22.560 0.076 1 
      665 .  78 THR HA   H   3.965 0.010 1 
      666 .  78 THR HB   H   3.783 0.015 1 
      667 .  78 THR H    H   7.380 0.032 1 
      668 .  78 THR N    N 108.947 0.324 1 
      669 .  78 THR HG2  H   1.083 0.015 1 
      670 .  79 ALA CA   C  55.758 0.113 1 
      671 .  79 ALA CB   C  17.862 0.126 1 
      672 .  79 ALA HA   H   4.050 0.014 1 
      673 .  79 ALA H    H   7.585 0.017 1 
      674 .  79 ALA N    N 123.224 0.057 1 
      675 .  79 ALA HB   H   0.748 0.011 1 
      676 .  80 PHE CA   C  61.921 0.036 1 
      677 .  80 PHE CB   C  38.420 0.045 1 
      678 .  80 PHE HA   H   4.416 0.013 1 
      679 .  80 PHE HB2  H   3.238 0.008 2 
      680 .  80 PHE HB3  H   2.992 0.007 2 
      681 .  80 PHE H    H   7.530 0.029 1 
      682 .  80 PHE N    N 114.481 0.046 1 
      683 .  80 PHE HD1  H   7.206 0.019 3 
      684 .  80 PHE HE1  H   6.971 0.004 3 
      685 .  81 SER CA   C  61.920 0.110 1 
      686 .  81 SER CB   C  62.880 0.224 1 
      687 .  81 SER HA   H   4.327 0.010 1 
      688 .  81 SER H    H   8.017 0.017 1 
      689 .  81 SER N    N 116.312 0.034 1 
      690 .  81 SER HB2  H   3.791 0.008 2 
      691 .  82 TYR CA   C  60.961 0.099 1 
      692 .  82 TYR CB   C  34.882 0.144 1 
      693 .  82 TYR HA   H   4.026 0.007 1 
      694 .  82 TYR HB2  H   1.883 0.014 2 
      695 .  82 TYR HB3  H   1.424 0.013 2 
      696 .  82 TYR H    H   8.221 0.032 1 
      697 .  82 TYR N    N 120.609 0.063 1 
      698 .  82 TYR HD1  H   6.517 0.011 3 
      699 .  83 TRP CA   C  64.074 0.168 1 
      700 .  83 TRP CB   C  28.901 0.084 1 
      701 .  83 TRP HA   H   4.325 0.012 1 
      702 .  83 TRP HB2  H   3.779 0.006 2 
      703 .  83 TRP HB3  H   3.489 0.010 2 
      704 .  83 TRP HD1  H   7.179 0.009 1 
      705 .  83 TRP H    H   8.463 0.012 1 
      706 .  83 TRP N    N 119.433 0.039 1 
      707 .  84 ASN CA   C  57.259 0.063 1 
      708 .  84 ASN CB   C  39.829 0.041 1 
      709 .  84 ASN HA   H   4.203 0.014 1 
      710 .  84 ASN HB2  H   3.054 0.018 2 
      711 .  84 ASN HB3  H   2.827 0.010 2 
      712 .  84 ASN H    H   8.445 0.011 1 
      713 .  84 ASN N    N 118.304 0.071 1 
      714 .  85 LEU CA   C  58.104 0.101 1 
      715 .  85 LEU CB   C  42.574 0.061 1 
      716 .  85 LEU CD1  C  24.643 0.160 2 
      717 .  85 LEU CG   C  26.571 0.140 1 
      718 .  85 LEU HA   H   3.959 0.008 1 
      719 .  85 LEU HB2  H   1.794 0.006 2 
      720 .  85 LEU HB3  H   1.348 0.011 2 
      721 .  85 LEU HG   H   1.735 0.009 1 
      722 .  85 LEU H    H   8.033 0.016 1 
      723 .  85 LEU N    N 120.360 0.129 1 
      724 .  85 LEU HD1  H   0.693 0.012 2 
      725 .  86 ILE CA   C  63.380 0.137 1 
      726 .  86 ILE CB   C  36.505 0.110 1 
      727 .  86 ILE CD1  C  12.534 0.184 1 
      728 .  86 ILE CG1  C  29.484 0.126 1 
      729 .  86 ILE CG2  C  16.522 0.071 1 
      730 .  86 ILE HA   H   3.420 0.007 1 
      731 .  86 ILE HB   H   1.734 0.010 1 
      732 .  86 ILE HG12 H   1.490 0.006 2 
      733 .  86 ILE HG13 H   1.212 0.009 2 
      734 .  86 ILE H    H   7.824 0.018 1 
      735 .  86 ILE N    N 117.689 0.023 1 
      736 .  86 ILE HD1  H   0.744 0.009 1 
      737 .  86 ILE HG2  H  -0.287 0.008 1 
      738 .  87 LYS CA   C  60.159 0.093 1 
      739 .  87 LYS CB   C  31.543 0.147 1 
      740 .  87 LYS CD   C  29.481 0.048 1 
      741 .  87 LYS CE   C  42.176 0.000 1 
      742 .  87 LYS CG   C  24.389 0.090 1 
      743 .  87 LYS HA   H   3.351 0.007 1 
      744 .  87 LYS HB2  H   1.723 0.016 2 
      745 .  87 LYS HB3  H   0.721 0.011 2 
      746 .  87 LYS H    H   7.837 0.007 1 
      747 .  87 LYS N    N 120.849 0.050 1 
      748 .  87 LYS HD2  H   1.460 0.007 2 
      749 .  87 LYS HG2  H   1.283 0.009 2 
      750 .  88 GLU CA   C  59.137 0.114 1 
      751 .  88 GLU CB   C  29.444 0.037 1 
      752 .  88 GLU CG   C  36.756 0.042 1 
      753 .  88 GLU HA   H   3.905 0.011 1 
      754 .  88 GLU HG2  H   2.421 0.011 2 
      755 .  88 GLU H    H   7.742 0.007 1 
      756 .  88 GLU N    N 115.510 0.042 1 
      757 .  88 GLU HB2  H   1.975 0.005 2 
      758 .  89 LEU CA   C  57.550 0.094 1 
      759 .  89 LEU CB   C  42.452 0.073 1 
      760 .  89 LEU CD1  C  25.069 0.144 2 
      761 .  89 LEU CD2  C  23.522 0.035 2 
      762 .  89 LEU CG   C  26.771 0.022 1 
      763 .  89 LEU HA   H   3.929 0.007 1 
      764 .  89 LEU HB2  H   1.846 0.013 2 
      765 .  89 LEU HB3  H   1.531 0.006 2 
      766 .  89 LEU HG   H   1.497 0.005 1 
      767 .  89 LEU H    H   7.283 0.021 1 
      768 .  89 LEU N    N 118.135 0.029 1 
      769 .  89 LEU HD1  H   0.696 0.012 2 
      770 .  89 LEU HD2  H   0.525 0.008 2 
      771 .  90 ILE CA   C  62.820 0.026 1 
      772 .  90 ILE CB   C  38.332 0.073 1 
      773 .  90 ILE CD1  C  14.139 0.069 1 
      774 .  90 ILE CG1  C  25.974 0.070 1 
      775 .  90 ILE CG2  C  17.783 0.100 1 
      776 .  90 ILE HA   H   4.011 0.008 1 
      777 .  90 ILE HB   H   1.931 0.007 1 
      778 .  90 ILE HG12 H   1.481 0.006 2 
      779 .  90 ILE HG13 H   1.191 0.007 2 
      780 .  90 ILE H    H   7.578 0.010 1 
      781 .  90 ILE N    N 112.746 0.028 1 
      782 .  90 ILE HD1  H   0.375 0.013 1 
      783 .  90 ILE HG2  H   1.020 0.060 1 
      784 .  91 ASP CA   C  55.169 0.082 1 
      785 .  91 ASP CB   C  41.234 0.078 1 
      786 .  91 ASP HA   H   4.493 0.017 1 
      787 .  91 ASP H    H   8.090 0.009 1 
      788 .  91 ASP N    N 122.215 0.047 1 
      789 .  91 ASP HB2  H   2.623 0.012 2 
      790 .  92 LYS CA   C  56.137 0.076 1 
      791 .  92 LYS CB   C  32.744 0.103 1 
      792 .  92 LYS CD   C  29.314 0.053 1 
      793 .  92 LYS CG   C  24.696 0.148 1 
      794 .  92 LYS HA   H   4.251 0.005 1 
      795 .  92 LYS H    H   7.822 0.010 1 
      796 .  92 LYS N    N 120.091 0.079 1 
      797 .  92 LYS HB2  H   1.820 0.008 2 
      798 .  92 LYS HD2  H   1.509 0.002 2 
      799 .  92 LYS HG2  H   1.400 0.010 2 
      800 .  93 LYS CA   C  56.608 0.163 1 
      801 .  93 LYS CB   C  32.639 0.056 1 
      802 .  93 LYS CG   C  24.900 0.014 1 
      803 .  93 LYS HA   H   4.196 0.010 1 
      804 .  93 LYS H    H   8.186 0.015 1 
      805 .  93 LYS N    N 121.670 0.093 1 
      806 .  93 LYS HB2  H   1.764 0.008 2 
      807 .  93 LYS HG2  H   1.368 0.012 2 
      808 .  94 GLU CA   C  56.605 0.055 1 
      809 .  94 GLU CB   C  30.339 0.077 1 
      810 .  94 GLU CG   C  36.295 0.117 1 
      811 .  94 GLU HA   H   4.251 0.008 1 
      812 .  94 GLU HB2  H   1.968 0.008 2 
      813 .  94 GLU HB3  H   1.849 0.007 2 
      814 .  94 GLU H    H   8.404 0.008 1 
      815 .  94 GLU N    N 121.664 0.060 1 
      816 .  94 GLU HG2  H   2.197 0.012 2 
      817 .  95 VAL CA   C  62.171 0.075 1 
      818 .  95 VAL CB   C  32.868 0.057 1 
      819 .  95 VAL CG1  C  20.876 0.085 2 
      820 .  95 VAL HA   H   4.028 0.011 1 
      821 .  95 VAL HB   H   1.976 0.013 1 
      822 .  95 VAL H    H   8.092 0.006 1 
      823 .  95 VAL N    N 120.627 0.065 1 
      824 .  95 VAL HG1  H   0.841 0.016 2 
      825 .  96 ASN CA   C  51.238 0.019 1 
      826 .  96 ASN CB   C  39.153 0.092 1 
      827 .  96 ASN HA   H   4.986 0.113 1 
      828 .  96 ASN HB2  H   2.793 0.005 2 
      829 .  96 ASN HB3  H   2.619 0.012 2 
      830 .  96 ASN H    H   8.486 0.012 1 
      831 .  96 ASN N    N 122.971 0.064 1 
      832 .  97 PRO CA   C  63.496 0.071 1 
      833 .  97 PRO CB   C  32.244 0.071 1 
      834 .  97 PRO CD   C  50.673 0.200 1 
      835 .  97 PRO CG   C  27.352 0.024 1 
      836 .  97 PRO HA   H   4.340 0.013 1 
      837 .  97 PRO HB2  H   2.209 0.003 2 
      838 .  97 PRO HB3  H   1.874 0.009 2 
      839 .  97 PRO HD2  H   3.702 0.019 2 
      840 .  97 PRO HG2  H   1.945 0.007 2 
      841 .  98 GLN CA   C  55.972 0.064 1 
      842 .  98 GLN CB   C  29.667 0.057 1 
      843 .  98 GLN CG   C  34.165 0.000 1 
      844 .  98 GLN HA   H   4.266 0.002 1 
      845 .  98 GLN H    H   8.309 0.004 1 
      846 .  98 GLN N    N 119.657 0.071 1 
      847 .  98 GLN HB2  H   2.008 0.011 2 
      848 .  98 GLN HG2  H   2.297 0.019 2 
      849 .  99 VAL CA   C  62.445 0.075 1 
      850 .  99 VAL CB   C  32.831 0.031 1 
      851 .  99 VAL CG1  C  21.282 0.025 2 
      852 .  99 VAL HA   H   4.066 0.007 1 
      853 .  99 VAL HB   H   2.020 0.009 1 
      854 .  99 VAL H    H   8.025 0.008 1 
      855 .  99 VAL N    N 121.266 0.099 1 
      856 .  99 VAL HG1  H   0.861 0.015 2 
      857 . 100 MET CA   C  57.112 0.068 1 
      858 . 100 MET CB   C  33.968 0.052 1 
      859 . 100 MET HA   H   4.244 0.020 1 
      860 . 100 MET HB2  H   2.033 0.000 2 
      861 . 100 MET HB3  H   1.869 0.004 2 
      862 . 100 MET H    H   7.899 0.006 1 
      863 . 100 MET N    N 128.958 0.057 1 

   stop_

save_