data_6553

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

save_entry_information
   _Saveframe_category      entry_information

   _Entry_title            
;
Specific non-native hydrophobic interactions in a hidden folding intermediate: 
implication for protein folding
;
   _BMRB_accession_number   6553
   _BMRB_flat_file_name     bmr6553.str
   _Entry_type              original
   _Submission_date         2005-03-18
   _Accession_date          2005-03-31
   _Entry_origination       author
   _NMR_STAR_version        2.1.1
   _Experimental_method     NMR
   _Details                 .

   loop_
      _Author_ordinal
      _Author_family_name
      _Author_given_name
      _Author_middle_initials
      _Author_family_title

      1 Feng    H. . . 
      2 Takei   T. . . 
      3 Lipsitz R. . . 
      4 Tjandra N. . . 
      5 Bai     Y. . . 

   stop_

   loop_
      _Saveframe_category_type
      _Saveframe_category_type_count

      assigned_chemical_shifts 1 
      coupling_constants       1 

   stop_

   loop_
      _Data_type
      _Data_type_count

      "1H chemical shifts"  566 
      "13C chemical shifts" 315 
      "15N chemical shifts" 113 
      "coupling constants"   76 

   stop_

   loop_
      _Revision_date
      _Revision_keyword
      _Revision_author
      _Revision_detail

      2005-08-30 original author . 

   stop_

   loop_
      _Related_BMRB_accession_number
      _Relationship

      6552 'Multiple Folding Protein' 

   stop_

   _Original_release_date   2005-08-30

save_


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

save_entry_citation
   _Saveframe_category           entry_citation

   _Citation_full                .
   _Citation_title              
;
Specific non-native hydrophobic interactions in a hidden folding intermediate: 
implications for protein folding
;
   _Citation_status              published
   _Citation_type                journal
   _CAS_abstract_code            .
   _MEDLINE_UI_code              .
   _PubMed_ID                    14580191

   loop_
      _Author_ordinal
      _Author_family_name
      _Author_given_name
      _Author_middle_initials
      _Author_family_title

      1 Feng    H. . . 
      2 Takei   J. . . 
      3 Lipsitz R. . . 
      4 Tjandra N. . . 
      5 Bai     Y. . . 

   stop_

   _Journal_abbreviation         Biochemistry
   _Journal_volume               42
   _Journal_issue                43
   _Journal_CSD                  .
   _Book_chapter_title           .
   _Book_volume                  .
   _Book_series                  .
   _Book_ISBN                    .
   _Conference_state_province    .
   _Conference_abstract_number   .
   _Page_first                   12461
   _Page_last                    12465
   _Year                         2003
   _Details                      .

   loop_
      _Keyword

      'Berkeley Structural Genomics Center' 
       BSGC                                 
      'Hidden folding Intermediate'         
       hydrophobic-interactions             
       non-native                           
      'protein folding'                     
      'Protein Structure Initiative'        
       PSI                                  
      'Rd-apocyt b562'                      
      'Structural Genomics'                 

   stop_

save_


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

save_system_b562
   _Saveframe_category         molecular_system

   _Mol_system_name           'Redesigned apo-cytochrome b562'
   _Abbreviation_common       'Redesigned apo-cytochrome b562'
   _Enzyme_commission_number   .

   loop_
      _Mol_system_component_name
      _Mol_label

      'Redesigned apo-cytochrome b562' $b562 

   stop_

   _System_molecular_weight    .
   _System_physical_state      native
   _System_oligomer_state      monomer
   _System_paramagnetic        no
   _System_thiol_state        'not present'
   _Database_query_date        .
   _Details                    .

save_


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

save_b562
   _Saveframe_category                          monomeric_polymer

   _Mol_type                                    polymer
   _Mol_polymer_class                           protein
   _Name_common                                'redesigned apo-cytochrome b562'
   _Abbreviation_common                        'redesigned apo-cytochrome b562'
   _Molecular_mass                              .
   _Mol_thiol_state                            'not present'
   _Details                                     .

   	##############################
   	#  Polymer residue sequence  #
   	##############################
   
      _Residue_count                               106
   _Mol_residue_sequence                       
;
ADLEDNDETGNDNGKGGEKA
DNAAQVKDALTKMRAAALDA
QKATPPKLEDKSPDSPEMKD
FRHGFDILVGQIDDALKLAN
EGKVKEAQAAAEQLKTTIRA
YNQKYG
;

   loop_
      _Residue_seq_code
      _Residue_label

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

   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 6552  b562                                                                                                                             100.00 106  97.17  97.17 1.96e-63 
      PDB  1YZA  "The Solution Structure Of A Redesigned Apocytochrome B562 (Rd-Apocyt B562) With The N-Terminal Helix Unfolded"                   100.00 106 100.00 100.00 6.50e-68 
      PDB  1YZC  "The Solution Structure Of A Redesigned Apocytochrome B562 (Rd-Apocyt B562) With The N- And A Part Of The C-Terminal Helices Unf" 100.00 106  97.17  97.17 1.96e-63 

   stop_

save_


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

save_natural_source
   _Saveframe_category   natural_source


   loop_
      _Mol_label
      _Organism_name_common
      _NCBI_taxonomy_ID
      _Superkingdom
      _Kingdom
      _Genus
      _Species

      $b562 Human 9606 Eukaryota Metazoa Homon sapiens 

   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

      $b562 '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

      $b562              .  mM . 
      'sodium acetate'   .  mM . 
       H2O             92.5 %  . 
       D2O              7.5 %  . 

   stop_

save_


save_sample_2
   _Saveframe_category   sample

   _Sample_type          solution
   _Details              .

   loop_
      _Mol_label
      _Concentration_value
      _Concentration_value_units
      _Isotopic_labeling

      $b562   . mM . 
       D2O  99 %  . 

   stop_

save_


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

save_X-PLOR
   _Saveframe_category   software

   _Name                 X-PLOR
   _Version              XPLOR-NIH-2.9

   loop_
      _Task

       refinement          
      'structure solution' 

   stop_

   _Details             'Schwieters, C.'

save_


save_NMRPipe
   _Saveframe_category   software

   _Name                 NMRPipe
   _Version              5.0.4

   loop_
      _Task

      processing 

   stop_

   _Details             'Delaglio, F.'

save_


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

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

save_NMR_spectrometer
   _Saveframe_category   NMR_spectrometer

   _Manufacturer         Bruker
   _Model                DRX
   _Field_strength       750
   _Details              .

save_


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

save_2D_HSQC_1
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '2D HSQC'
   _Sample_label         .

save_


save_3D_15N-separated_NOESY_2
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D 15N-separated NOESY'
   _Sample_label         .

save_


save_3D_13C-separated_NOESY_3
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D 13C-separated NOESY'
   _Sample_label         .

save_


save_HNHA_4
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name      HNHA
   _Sample_label         .

save_


save_3D_HNCACB_5
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D HNCACB'
   _Sample_label         .

save_


save_3D_CBCACONH_6
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D CBCACONH'
   _Sample_label         .

save_


save_D_HAHBCONH_7
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     'D HAHBCONH'
   _Sample_label         .

save_


save_3D_HNCO_8
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D HNCO'
   _Sample_label         .

save_


save_2D_NOESY_9
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '2D NOESY'
   _Sample_label         .

save_


save_2D_residual_dipolar_expts_10
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '2D residual dipolar expts'
   _Sample_label         .

save_


save_NMR_spec_expt__0_1
   _Saveframe_category                     NMR_applied_experiment

   _Experiment_name                       '2D HSQC'
   _BMRB_pulse_sequence_accession_number   .
   _Details                                .

save_


save_NMR_spec_expt__0_2
   _Saveframe_category                     NMR_applied_experiment

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

save_


save_NMR_spec_expt__0_3
   _Saveframe_category                     NMR_applied_experiment

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

save_


save_NMR_spec_expt__0_4
   _Saveframe_category                     NMR_applied_experiment

   _Experiment_name                        HNHA
   _BMRB_pulse_sequence_accession_number   .
   _Details                                .

save_


save_NMR_spec_expt__0_5
   _Saveframe_category                     NMR_applied_experiment

   _Experiment_name                       '3D HNCACB'
   _BMRB_pulse_sequence_accession_number   .
   _Details                                .

save_


save_NMR_spec_expt__0_6
   _Saveframe_category                     NMR_applied_experiment

   _Experiment_name                       '3D CBCACONH'
   _BMRB_pulse_sequence_accession_number   .
   _Details                                .

save_


save_NMR_spec_expt__0_7
   _Saveframe_category                     NMR_applied_experiment

   _Experiment_name                       'D HAHBCONH'
   _BMRB_pulse_sequence_accession_number   .
   _Details                                .

save_


save_NMR_spec_expt__0_8
   _Saveframe_category                     NMR_applied_experiment

   _Experiment_name                       '3D HNCO'
   _BMRB_pulse_sequence_accession_number   .
   _Details                                .

save_


save_NMR_spec_expt__0_9
   _Saveframe_category                     NMR_applied_experiment

   _Experiment_name                       '2D NOESY'
   _BMRB_pulse_sequence_accession_number   .
   _Details                                .

save_


save_NMR_spec_expt__0_10
   _Saveframe_category                     NMR_applied_experiment

   _Experiment_name                       '2D residual dipolar expts'
   _BMRB_pulse_sequence_accession_number   .
   _Details                                .

save_


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

save_sample_cond_1
   _Saveframe_category   sample_conditions

   _Details              .

   loop_
      _Variable_type
      _Variable_value
      _Variable_value_error
      _Variable_value_units

      pH            4.84 . pH  
      pressure      1    . atm 
      temperature 298    . K   

   stop_

save_


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

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

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

save_chemical_shift_reference
   _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

      . C 13 . ppm . . . . . . 
      . H  1 . ppm . . . . . . 
      . N 15 . ppm . . . . . . 

   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_chemical_shift_set_1
   _Saveframe_category               assigned_chemical_shifts

   _Details                          .

   loop_
      _Sample_label

      $sample_1 

   stop_

   _Sample_conditions_label         $sample_cond_1
   _Chem_shift_reference_set_label  $chemical_shift_reference
   _Mol_system_component_name       'Redesigned apo-cytochrome b562'
   _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 ALA HA   H   4.0000 . . 
        2 .   1 ALA HB   H   1.4000 . . 
        3 .   1 ALA CA   C  49.1610 . . 
        4 .   1 ALA CB   C  17.1360 . . 
        5 .   2 ASP H    H   8.6290 . . 
        6 .   2 ASP HA   H   4.6800 . . 
        7 .   2 ASP HB2  H   2.8100 . . 
        8 .   2 ASP HB3  H   2.7600 . . 
        9 .   2 ASP CA   C  52.1620 . . 
       10 .   2 ASP CB   C  38.9450 . . 
       11 .   2 ASP N    N 120.4780 . . 
       12 .   3 LEU H    H   8.3110 . . 
       13 .   3 LEU HA   H   4.2400 . . 
       14 .   3 LEU HB2  H   1.5500 . . 
       15 .   3 LEU HB3  H   1.5500 . . 
       16 .   3 LEU HG   H   1.3700 . . 
       17 .   3 LEU HD1  H   0.8700 . . 
       18 .   3 LEU HD2  H   0.8100 . . 
       19 .   3 LEU CA   C  53.1980 . . 
       20 .   3 LEU CB   C  39.9770 . . 
       21 .   3 LEU CG   C  23.5300 . . 
       22 .   3 LEU CD1  C  22.5900 . . 
       23 .   3 LEU CD2  C  22.5900 . . 
       24 .   3 LEU N    N 122.1780 . . 
       25 .   4 GLU H    H   8.3260 . . 
       26 .   4 GLU HA   H   4.2400 . . 
       27 .   4 GLU HB2  H   1.9400 . . 
       28 .   4 GLU HB3  H   1.9400 . . 
       29 .   4 GLU HG2  H   2.2600 . . 
       30 .   4 GLU HG3  H   2.2600 . . 
       31 .   4 GLU CA   C  54.0210 . . 
       32 .   4 GLU CB   C  27.6890 . . 
       33 .   4 GLU CG   C  35.1000 . . 
       34 .   4 GLU N    N 120.4900 . . 
       35 .   5 ASP H    H   8.2360 . . 
       36 .   5 ASP HA   H   4.5800 . . 
       37 .   5 ASP HB2  H   2.5700 . . 
       38 .   5 ASP HB3  H   2.5700 . . 
       39 .   5 ASP CA   C  51.6460 . . 
       40 .   5 ASP CB   C  38.5320 . . 
       41 .   5 ASP N    N 120.6490 . . 
       42 .   6 ASN H    H   8.3030 . . 
       43 .   6 ASN HA   H   4.5800 . . 
       44 .   6 ASN HB2  H   2.7700 . . 
       45 .   6 ASN HB3  H   2.6900 . . 
       46 .   6 ASN HD21 H   7.5240 . . 
       47 .   6 ASN HD22 H   6.8340 . . 
       48 .   6 ASN CA   C  50.9230 . . 
       49 .   6 ASN CB   C  36.9830 . . 
       50 .   6 ASN N    N 119.0140 . . 
       51 .   6 ASN ND2  N 113.7010 . . 
       52 .   7 ASP H    H   8.3650 . . 
       53 .   7 ASP HA   H   4.6600 . . 
       54 .   7 ASP HB2  H   2.6500 . . 
       55 .   7 ASP HB3  H   2.6500 . . 
       56 .   7 ASP CA   C  52.1620 . . 
       57 .   7 ASP CB   C  38.5320 . . 
       58 .   7 ASP N    N 120.1990 . . 
       59 .   8 GLU H    H   8.3820 . . 
       60 .   8 GLU HA   H   4.3200 . . 
       61 .   8 GLU HB2  H   1.9400 . . 
       62 .   8 GLU HB3  H   1.9400 . . 
       63 .   8 GLU HG2  H   2.2600 . . 
       64 .   8 GLU HG3  H   2.2600 . . 
       65 .   8 GLU CA   C  54.4340 . . 
       66 .   8 GLU CB   C  27.3790 . . 
       67 .   8 GLU CG   C  33.7500 . . 
       68 .   8 GLU N    N 121.0460 . . 
       69 .   9 THR H    H   8.1690 . . 
       70 .   9 THR HA   H   4.2500 . . 
       71 .   9 THR HB   H   4.2600 . . 
       72 .   9 THR HG2  H   1.1600 . . 
       73 .   9 THR CA   C  60.1140 . . 
       74 .   9 THR CB   C  67.5490 . . 
       75 .   9 THR CG2  C  19.5500 . . 
       76 .   9 THR N    N 113.5290 . . 
       77 .  10 GLY H    H   8.3190 . . 
       78 .  10 GLY HA2  H   3.9100 . . 
       79 .  10 GLY HA3  H   3.9100 . . 
       80 .  10 GLY CA   C  43.3850 . . 
       81 .  10 GLY N    N 110.5670 . . 
       82 .  11 ASN H    H   8.1840 . . 
       83 .  11 ASN HA   H   4.6800 . . 
       84 .  11 ASN HB2  H   2.7100 . . 
       85 .  11 ASN HB3  H   2.7100 . . 
       86 .  11 ASN HD21 H   7.5230 . . 
       87 .  11 ASN HD22 H   6.8330 . . 
       88 .  11 ASN CA   C  50.9230 . . 
       89 .  11 ASN CB   C  36.8810 . . 
       90 .  11 ASN N    N 118.2700 . . 
       91 .  11 ASN ND2  N 112.5560 . . 
       92 .  12 ASP H    H   8.3640 . . 
       93 .  12 ASP HA   H   4.6900 . . 
       94 .  12 ASP HB2  H   2.6800 . . 
       95 .  12 ASP HB3  H   2.6800 . . 
       96 .  12 ASP CA   C  52.0590 . . 
       97 .  12 ASP CB   C  38.7380 . . 
       98 .  12 ASP N    N 120.3340 . . 
       99 .  13 ASN H    H   8.3780 . . 
      100 .  13 ASN HA   H   4.6100 . . 
      101 .  13 ASN HB2  H   2.7800 . . 
      102 .  13 ASN HB3  H   2.7800 . . 
      103 .  13 ASN HD21 H   7.5200 . . 
      104 .  13 ASN HD22 H   6.8560 . . 
      105 .  13 ASN CA   C  51.2230 . . 
      106 .  13 ASN CB   C  36.4660 . . 
      107 .  13 ASN N    N 118.8900 . . 
      108 .  13 ASN ND2  N 112.3300 . . 
      109 .  14 GLY H    H   8.3900 . . 
      110 .  14 GLY HA2  H   3.8900 . . 
      111 .  14 GLY HA3  H   3.8900 . . 
      112 .  14 GLY CA   C  43.5920 . . 
      113 .  14 GLY N    N 108.4350 . . 
      114 .  15 LYS H    H   8.0180 . . 
      115 .  15 LYS HA   H   4.2700 . . 
      116 .  15 LYS HB2  H   1.7600 . . 
      117 .  15 LYS HB3  H   1.7600 . . 
      118 .  15 LYS HG2  H   1.3700 . . 
      119 .  15 LYS HG3  H   1.3700 . . 
      120 .  15 LYS HD2  H   1.5200 . . 
      121 .  15 LYS HD3  H   1.5200 . . 
      122 .  15 LYS HE2  H   2.9400 . . 
      123 .  15 LYS CA   C  54.1240 . . 
      124 .  15 LYS CB   C  30.5800 . . 
      125 .  15 LYS CG   C  23.1000 . . 
      126 .  15 LYS CD   C  27.5000 . . 
      127 .  15 LYS CE   C  40.4100 . . 
      128 .  15 LYS N    N 120.1620 . . 
      129 .  16 GLY H    H   8.4730 . . 
      130 .  16 GLY HA2  H   3.9100 . . 
      131 .  16 GLY HA3  H   3.9100 . . 
      132 .  16 GLY CA   C  43.3850 . . 
      133 .  16 GLY N    N 109.4820 . . 
      134 .  17 GLY H    H   8.2130 . . 
      135 .  17 GLY HA2  H   3.9200 . . 
      136 .  17 GLY HA3  H   3.9200 . . 
      137 .  17 GLY CA   C  43.0750 . . 
      138 .  17 GLY N    N 108.5570 . . 
      139 .  18 GLU H    H   8.3090 . . 
      140 .  18 GLU HA   H   4.6300 . . 
      141 .  18 GLU HB2  H   1.9200 . . 
      142 .  18 GLU HB3  H   1.9200 . . 
      143 .  18 GLU HG2  H   2.2400 . . 
      144 .  18 GLU HG3  H   2.2400 . . 
      145 .  18 GLU CA   C  54.5380 . . 
      146 .  18 GLU CB   C  27.7920 . . 
      147 .  18 GLU CG   C  33.8400 . . 
      148 .  18 GLU N    N 120.2790 . . 
      149 .  19 LYS H    H   8.3280 . . 
      150 .  19 LYS HA   H   4.2400 . . 
      151 .  19 LYS HB2  H   1.7100 . . 
      152 .  19 LYS HG2  H   1.3500 . . 
      153 .  19 LYS HD2  H   1.5400 . . 
      154 .  19 LYS HE2  H   2.9300 . . 
      155 .  19 LYS CA   C  54.0210 . . 
      156 .  19 LYS CB   C  30.6840 . . 
      157 .  19 LYS CG   C  23.0600 . . 
      158 .  19 LYS CD   C  27.5200 . . 
      159 .  19 LYS CE   C  40.4100 . . 
      160 .  19 LYS N    N 121.9420 . . 
      161 .  20 ALA H    H   8.2090 . . 
      162 .  20 ALA HA   H   4.2500 . . 
      163 .  20 ALA HB   H   1.3100 . . 
      164 .  20 ALA CA   C  50.4070 . . 
      165 .  20 ALA CB   C  17.1560 . . 
      166 .  20 ALA N    N 124.6170 . . 
      167 .  21 ASP H    H   8.2460 . . 
      168 .  21 ASP HA   H   4.5660 . . 
      169 .  21 ASP HB2  H   2.6530 . . 
      170 .  21 ASP HB3  H   2.6530 . . 
      171 .  21 ASP CA   C  51.5430 . . 
      172 .  21 ASP CB   C  38.8420 . . 
      173 .  21 ASP N    N 119.7280 . . 
      174 .  22 ASN H    H   8.4190 . . 
      175 .  22 ASN HA   H   4.5600 . . 
      176 .  22 ASN HB2  H   2.6500 . . 
      177 .  22 ASN HB3  H   2.7800 . . 
      178 .  22 ASN HD21 H   7.5520 . . 
      179 .  22 ASN HD22 H   6.8970 . . 
      180 .  22 ASN CA   C  52.2660 . . 
      181 .  22 ASN CB   C  36.4660 . . 
      182 .  22 ASN N    N 119.7710 . . 
      183 .  22 ASN ND2  N 111.8370 . . 
      184 .  23 ALA H    H   8.4470 . . 
      185 .  23 ALA HA   H   4.0100 . . 
      186 .  23 ALA HB   H   1.4000 . . 
      187 .  23 ALA CA   C  52.2260 . . 
      188 .  23 ALA CB   C  16.5370 . . 
      189 .  23 ALA N    N 122.5270 . . 
      190 .  24 ALA H    H   7.9520 . . 
      191 .  24 ALA HA   H   3.9200 . . 
      192 .  24 ALA HB   H   1.4800 . . 
      193 .  24 ALA CA   C  53.1950 . . 
      194 .  24 ALA CB   C  16.0210 . . 
      195 .  24 ALA N    N 120.2180 . . 
      196 .  25 GLN H    H   8.0850 . . 
      197 .  25 GLN HA   H   4.0400 . . 
      198 .  25 GLN HB2  H   2.1200 . . 
      199 .  25 GLN HB3  H   2.1200 . . 
      200 .  25 GLN HG2  H   2.4400 . . 
      201 .  25 GLN HG3  H   2.4400 . . 
      202 .  25 GLN HE21 H   7.4070 . . 
      203 .  25 GLN HE22 H   6.8130 . . 
      204 .  25 GLN CA   C  56.9130 . . 
      205 .  25 GLN CB   C  26.1450 . . 
      206 .  25 GLN CG   C  32.4400 . . 
      207 .  25 GLN N    N 117.2660 . . 
      208 .  25 GLN NE2  N 111.6720 . . 
      209 .  26 VAL H    H   8.0610 . . 
      210 .  26 VAL HA   H   3.9400 . . 
      211 .  26 VAL HB   H   2.0600 . . 
      212 .  26 VAL HG1  H   0.9200 . . 
      213 .  26 VAL HG2  H   0.8400 . . 
      214 .  26 VAL CA   C  62.9020 . . 
      215 .  26 VAL CB   C  29.3410 . . 
      216 .  26 VAL CG1  C  20.2500 . . 
      217 .  26 VAL CG2  C  20.2500 . . 
      218 .  26 VAL N    N 121.2760 . . 
      219 .  27 LYS H    H   8.1030 . . 
      220 .  27 LYS HA   H   3.7500 . . 
      221 .  27 LYS HB2  H   1.7500 . . 
      222 .  27 LYS HB3  H   1.7500 . . 
      223 .  27 LYS HG2  H   1.5500 . . 
      224 .  27 LYS HG3  H   1.5500 . . 
      225 .  27 LYS HD2  H   1.6910 . . 
      226 .  27 LYS HD3  H   1.6910 . . 
      227 .  27 LYS HE2  H   2.7600 . . 
      228 .  27 LYS CA   C  58.3580 . . 
      229 .  27 LYS CB   C  29.8580 . . 
      230 .  27 LYS CG   C  26.8150 . . 
      231 .  27 LYS CD   C  28.6900 . . 
      232 .  27 LYS CE   C  39.7300 . . 
      233 .  27 LYS N    N 120.7300 . . 
      234 .  28 ASP H    H   8.1330 . . 
      235 .  28 ASP HA   H   4.3300 . . 
      236 .  28 ASP HB2  H   2.7200 . . 
      237 .  28 ASP HB3  H   2.7200 . . 
      238 .  28 ASP CA   C  55.3640 . . 
      239 .  28 ASP CB   C  39.3580 . . 
      240 .  28 ASP N    N 120.8540 . . 
      241 .  29 ALA H    H   7.9500 . . 
      242 .  29 ALA HA   H   4.0200 . . 
      243 .  29 ALA HB   H   1.4600 . . 
      244 .  29 ALA CA   C  52.9890 . . 
      245 .  29 ALA CB   C  15.6070 . . 
      246 .  29 ALA N    N 120.9340 . . 
      247 .  30 LEU H    H   8.3730 . . 
      248 .  30 LEU HA   H   4.0900 . . 
      249 .  30 LEU HB2  H   2.0300 . . 
      250 .  30 LEU HB3  H   2.0300 . . 
      251 .  30 LEU HG   H   1.4600 . . 
      252 .  30 LEU HD1  H   0.8900 . . 
      253 .  30 LEU HD2  H   0.8100 . . 
      254 .  30 LEU CA   C  55.5700 . . 
      255 .  30 LEU CB   C  40.4940 . . 
      256 .  30 LEU CG   C  25.8000 . . 
      257 .  30 LEU CD1  C  21.6600 . . 
      258 .  30 LEU CD2  C  20.7200 . . 
      259 .  30 LEU N    N 118.5070 . . 
      260 .  31 THR H    H   8.5120 . . 
      261 .  31 THR HA   H   3.7300 . . 
      262 .  31 THR HB   H   4.3530 . . 
      263 .  31 THR HG2  H   1.2300 . . 
      264 .  31 THR CA   C  65.8350 . . 
      265 .  31 THR CB   C  66.7230 . . 
      266 .  31 THR CG2  C  19.7820 . . 
      267 .  31 THR N    N 116.8770 . . 
      268 .  32 LYS H    H   8.1250 . . 
      269 .  32 LYS HA   H   4.0600 . . 
      270 .  32 LYS HB2  H   1.8200 . . 
      271 .  32 LYS HB3  H   1.7800 . . 
      272 .  32 LYS HG2  H   1.3600 . . 
      273 .  32 LYS HD2  H   1.5500 . . 
      274 .  32 LYS HE2  H   2.9300 . . 
      275 .  32 LYS HZ   H   6.9500 . . 
      276 .  32 LYS CA   C  57.6350 . . 
      277 .  32 LYS CB   C  30.2710 . . 
      278 .  32 LYS CG   C  23.5400 . . 
      279 .  32 LYS CD   C  29.1600 . . 
      280 .  32 LYS CE   C  40.1200 . . 
      281 .  32 LYS N    N 123.1180 . . 
      282 .  33 MET H    H   8.0730 . . 
      283 .  33 MET HA   H   4.0400 . . 
      284 .  33 MET HB2  H   2.0200 . . 
      285 .  33 MET HB3  H   2.0200 . . 
      286 .  33 MET HG2  H   2.6700 . . 
      287 .  33 MET HE   H   2.2200 . . 
      288 .  33 MET CA   C  57.1190 . . 
      289 .  33 MET CB   C  32.2330 . . 
      290 .  33 MET CG   C  30.5600 . . 
      291 .  33 MET N    N 120.4470 . . 
      292 .  34 ARG H    H   8.4440 . . 
      293 .  34 ARG HA   H   3.6400 . . 
      294 .  34 ARG HB2  H   1.9800 . . 
      295 .  34 ARG HG2  H   1.7600 . . 
      296 .  34 ARG HD2  H   3.1600 . . 
      297 .  34 ARG HE   H   9.5800 . . 
      298 .  34 ARG CA   C  57.6350 . . 
      299 .  34 ARG CB   C  28.6180 . . 
      300 .  34 ARG CG   C  24.9400 . . 
      301 .  34 ARG CD   C  40.8800 . . 
      302 .  34 ARG N    N 121.3830 . . 
      303 .  35 ALA H    H   7.5280 . . 
      304 .  35 ALA HA   H   4.0100 . . 
      305 .  35 ALA HB   H   1.4400 . . 
      306 .  35 ALA CA   C  52.7820 . . 
      307 .  35 ALA CB   C  15.7110 . . 
      308 .  35 ALA N    N 118.9710 . . 
      309 .  36 ALA H    H   7.8330 . . 
      310 .  36 ALA HA   H   4.1200 . . 
      311 .  36 ALA HB   H   1.4200 . . 
      312 .  36 ALA CA   C  52.3690 . . 
      313 .  36 ALA CB   C  15.7110 . . 
      314 .  36 ALA N    N 119.0850 . . 
      315 .  37 ALA H    H   8.2360 . . 
      316 .  37 ALA HA   H   3.8500 . . 
      317 .  37 ALA HB   H   1.3600 . . 
      318 .  37 ALA CA   C  52.5760 . . 
      319 .  37 ALA CB   C  15.4010 . . 
      320 .  37 ALA N    N 123.7610 . . 
      321 .  38 LEU H    H   7.7690 . . 
      322 .  38 LEU HA   H   3.7600 . . 
      323 .  38 LEU HB2  H   1.7100 . . 
      324 .  38 LEU HB3  H   1.7100 . . 
      325 .  38 LEU HG   H   1.3300 . . 
      326 .  38 LEU HD1  H   0.7600 . . 
      327 .  38 LEU HD2  H   0.7600 . . 
      328 .  38 LEU CA   C  55.3640 . . 
      329 .  38 LEU CB   C  39.2550 . . 
      330 .  38 LEU CG   C  23.0600 . . 
      331 .  38 LEU CD1  C  22.0000 . . 
      332 .  38 LEU CD2  C  20.5000 . . 
      333 .  38 LEU N    N 116.9240 . . 
      334 .  39 ASP H    H   7.7090 . . 
      335 .  39 ASP HA   H   4.3100 . . 
      336 .  39 ASP HB2  H   2.6100 . . 
      337 .  39 ASP HB3  H   2.5100 . . 
      338 .  39 ASP CA   C  54.8470 . . 
      339 .  39 ASP CB   C  38.1190 . . 
      340 .  39 ASP N    N 118.6880 . . 
      341 .  40 ALA H    H   7.6780 . . 
      342 .  40 ALA HA   H   3.9800 . . 
      343 .  40 ALA HB   H   1.2400 . . 
      344 .  40 ALA CA   C  52.4720 . . 
      345 .  40 ALA CB   C  16.7430 . . 
      346 .  40 ALA N    N 123.5670 . . 
      347 .  41 GLN H    H   7.4300 . . 
      348 .  41 GLN HA   H   3.5100 . . 
      349 .  41 GLN HB2  H   1.9700 . . 
      350 .  41 GLN HB3  H   1.3900 . . 
      351 .  41 GLN HG2  H   2.2800 . . 
      352 .  41 GLN HG3  H   2.1400 . . 
      353 .  41 GLN HE21 H   7.3420 . . 
      354 .  41 GLN HE22 H   6.7700 . . 
      355 .  41 GLN CA   C  55.3640 . . 
      356 .  41 GLN CB   C  26.8630 . . 
      357 .  41 GLN CG   C  32.4400 . . 
      358 .  41 GLN N    N 115.3570 . . 
      359 .  41 GLN NE2  N 111.6120 . . 
      360 .  42 LYS H    H   6.9850 . . 
      361 .  42 LYS HA   H   4.2100 . . 
      362 .  42 LYS HB2  H   1.8700 . . 
      363 .  42 LYS HB3  H   1.7200 . . 
      364 .  42 LYS HG2  H   1.3500 . . 
      365 .  42 LYS HD2  H   1.5100 . . 
      366 .  42 LYS HE2  H   2.9400 . . 
      367 .  42 LYS CA   C  53.5750 . . 
      368 .  42 LYS CB   C  30.9940 . . 
      369 .  42 LYS CG   C  22.2500 . . 
      370 .  42 LYS CD   C  27.7500 . . 
      371 .  42 LYS CE   C  40.5200 . . 
      372 .  42 LYS N    N 113.5750 . . 
      373 .  43 ALA H    H   7.2920 . . 
      374 .  43 ALA HA   H   4.4300 . . 
      375 .  43 ALA HB   H   1.3600 . . 
      376 .  43 ALA CA   C  48.6520 . . 
      377 .  43 ALA CB   C  18.0860 . . 
      378 .  43 ALA N    N 123.9350 . . 
      379 .  44 THR H    H   8.1430 . . 
      380 .  44 THR HA   H   3.8800 . . 
      381 .  44 THR HB   H   4.3700 . . 
      382 .  44 THR HG2  H   1.0100 . . 
      383 .  44 THR CA   C  57.6370 . . 
      384 .  44 THR CB   C  67.4450 . . 
      385 .  44 THR CG2  C  18.8400 . . 
      386 .  44 THR N    N 115.5940 . . 
      387 .  45 PRO HA   H   4.3400 . . 
      388 .  45 PRO HB2  H   2.2600 . . 
      389 .  45 PRO HB3  H   1.8100 . . 
      390 .  45 PRO HG2  H   2.0400 . . 
      391 .  45 PRO HG3  H   1.9500 . . 
      392 .  45 PRO HD2  H   3.7800 . . 
      393 .  45 PRO HD3  H   3.6600 . . 
      394 .  45 PRO CA   C  63.2000 . . 
      395 .  45 PRO CB   C  30.1000 . . 
      396 .  45 PRO CG   C  26.4000 . . 
      397 .  45 PRO CD   C  48.1000 . . 
      398 .  46 PRO HA   H   4.1800 . . 
      399 .  46 PRO HB2  H   2.3500 . . 
      400 .  46 PRO HB3  H   2.3500 . . 
      401 .  46 PRO HG2  H   2.0400 . . 
      402 .  46 PRO HG3  H   1.9100 . . 
      403 .  46 PRO HD2  H   3.8700 . . 
      404 .  46 PRO CA   C  63.7280 . . 
      405 .  46 PRO CB   C  30.4770 . . 
      406 .  46 PRO CG   C  26.3400 . . 
      407 .  46 PRO CD   C  48.8400 . . 
      408 .  47 LYS H    H   8.2250 . . 
      409 .  47 LYS HA   H   4.0800 . . 
      410 .  47 LYS HB2  H   1.7200 . . 
      411 .  47 LYS HG2  H   1.2900 . . 
      412 .  47 LYS HD2  H   1.7610 . . 
      413 .  47 LYS HE2  H   2.9100 . . 
      414 .  47 LYS CA   C  57.0300 . . 
      415 .  47 LYS CB   C  30.7870 . . 
      416 .  47 LYS CG   C  22.2500 . . 
      417 .  47 LYS CD   C  26.3400 . . 
      418 .  47 LYS CE   C  40.5200 . . 
      419 .  47 LYS N    N 113.0190 . . 
      420 .  48 LEU H    H   7.7900 . . 
      421 .  48 LEU HA   H   4.5100 . . 
      422 .  48 LEU HB2  H   1.6100 . . 
      423 .  48 LEU HG   H   1.2500 . . 
      424 .  48 LEU HD1  H   0.7500 . . 
      425 .  48 LEU HD2  H   0.5200 . . 
      426 .  48 LEU CA   C  50.7170 . . 
      427 .  48 LEU CB   C  39.6680 . . 
      428 .  48 LEU CD1  C  21.2000 . . 
      429 .  48 LEU CD2  C  20.9200 . . 
      430 .  48 LEU N    N 115.8140 . . 
      431 .  49 GLU H    H   7.1010 . . 
      432 .  49 GLU HA   H   3.7700 . . 
      433 .  49 GLU HB2  H   1.9900 . . 
      434 .  49 GLU HB3  H   1.9900 . . 
      435 .  49 GLU HG2  H   2.3200 . . 
      436 .  49 GLU HG3  H   2.3200 . . 
      437 .  49 GLU CA   C  56.6030 . . 
      438 .  49 GLU CB   C  26.9660 . . 
      439 .  49 GLU CG   C  31.9700 . . 
      440 .  49 GLU N    N 118.3660 . . 
      441 .  50 ASP H    H   8.4220 . . 
      442 .  50 ASP HA   H   4.5500 . . 
      443 .  50 ASP HB2  H   2.6900 . . 
      444 .  50 ASP HB3  H   2.6900 . . 
      445 .  50 ASP CA   C  51.1330 . . 
      446 .  50 ASP CB   C  37.7060 . . 
      447 .  50 ASP N    N 115.4600 . . 
      448 .  51 LYS H    H   7.6680 . . 
      449 .  51 LYS HA   H   4.5300 . . 
      450 .  51 LYS HB2  H   1.9200 . . 
      451 .  51 LYS HB3  H   1.9200 . . 
      452 .  51 LYS HG2  H   1.3400 . . 
      453 .  51 LYS HG3  H   1.2900 . . 
      454 .  51 LYS HD2  H   1.5800 . . 
      455 .  51 LYS HD3  H   1.5800 . . 
      456 .  51 LYS HE2  H   2.9100 . . 
      457 .  51 LYS CA   C  51.1300 . . 
      458 .  51 LYS CB   C  30.6840 . . 
      459 .  51 LYS CG   C  22.5900 . . 
      460 .  51 LYS CD   C  28.2200 . . 
      461 .  51 LYS CE   C  40.2200 . . 
      462 .  51 LYS N    N 119.2590 . . 
      463 .  52 SER H    H   8.7440 . . 
      464 .  52 SER HA   H   4.7100 . . 
      465 .  52 SER HB2  H   4.1300 . . 
      466 .  52 SER HB3  H   3.9100 . . 
      467 .  52 SER CA   C  54.5380 . . 
      468 .  52 SER CB   C  60.5270 . . 
      469 .  52 SER N    N 117.0320 . . 
      470 .  53 PRO HA   H   4.1800 . . 
      471 .  53 PRO HB2  H   2.3500 . . 
      472 .  53 PRO HB3  H   2.1900 . . 
      473 .  53 PRO HG2  H   2.0200 . . 
      474 .  53 PRO HG3  H   1.9100 . . 
      475 .  53 PRO HD2  H   3.8200 . . 
      476 .  53 PRO CA   C  63.3150 . . 
      477 .  53 PRO CB   C  29.6510 . . 
      478 .  53 PRO CG   C  26.8100 . . 
      479 .  53 PRO CD   C  49.0100 . . 
      480 .  54 ASP H    H   7.8900 . . 
      481 .  54 ASP HA   H   4.6900 . . 
      482 .  54 ASP HB2  H   2.6500 . . 
      483 .  54 ASP HB3  H   2.5700 . . 
      484 .  54 ASP CA   C  50.7170 . . 
      485 .  54 ASP CB   C  38.5320 . . 
      486 .  54 ASP N    N 113.1850 . . 
      487 .  55 SER H    H   7.7480 . . 
      488 .  55 SER HA   H   4.5100 . . 
      489 .  55 SER HB2  H   4.2500 . . 
      490 .  55 SER HB3  H   3.8800 . . 
      491 .  55 SER CA   C  54.9510 . . 
      492 .  55 SER CB   C  61.1460 . . 
      493 .  55 SER N    N 116.3260 . . 
      494 .  56 PRO HA   H   4.1900 . . 
      495 .  56 PRO HB2  H   2.3500 . . 
      496 .  56 PRO HB3  H   2.1900 . . 
      497 .  56 PRO HG2  H   2.0200 . . 
      498 .  56 PRO HG3  H   1.9100 . . 
      499 .  56 PRO HD2  H   3.8200 . . 
      500 .  56 PRO CA   C  63.1080 . . 
      501 .  56 PRO CB   C  29.4500 . . 
      502 .  56 PRO CG   C  26.9900 . . 
      503 .  56 PRO CD   C  48.9000 . . 
      504 .  57 GLU H    H   9.6520 . . 
      505 .  57 GLU HA   H   4.1200 . . 
      506 .  57 GLU HB2  H   2.1300 . . 
      507 .  57 GLU HB3  H   1.9500 . . 
      508 .  57 GLU HG2  H   2.3600 . . 
      509 .  57 GLU HG3  H   2.3600 . . 
      510 .  57 GLU CA   C  58.6680 . . 
      511 .  57 GLU CB   C  26.8630 . . 
      512 .  57 GLU CG   C  32.8000 . . 
      513 .  57 GLU N    N 116.1330 . . 
      514 .  58 MET H    H   7.7450 . . 
      515 .  58 MET HA   H   4.6300 . . 
      516 .  58 MET HB2  H   2.1200 . . 
      517 .  58 MET HB3  H   1.9100 . . 
      518 .  58 MET HG2  H   2.7400 . . 
      519 .  58 MET HG3  H   2.5400 . . 
      520 .  58 MET HE   H   2.1700 . . 
      521 .  58 MET CA   C  54.2280 . . 
      522 .  58 MET CB   C  28.6180 . . 
      523 .  58 MET CG   C  30.5000 . . 
      524 .  58 MET N    N 120.2260 . . 
      525 .  59 LYS H    H   8.4590 . . 
      526 .  59 LYS HA   H   3.9500 . . 
      527 .  59 LYS HB2  H   1.8300 . . 
      528 .  59 LYS HB3  H   1.7800 . . 
      529 .  59 LYS HG2  H   1.3800 . . 
      530 .  59 LYS HD2  H   1.5400 . . 
      531 .  59 LYS HD3  H   1.5000 . . 
      532 .  59 LYS HE2  H   2.9300 . . 
      533 .  59 LYS CA   C  58.1520 . . 
      534 .  59 LYS CB   C  29.8580 . . 
      535 .  59 LYS CG   C  23.5300 . . 
      536 .  59 LYS CD   C  27.2700 . . 
      537 .  59 LYS CE   C  40.1200 . . 
      538 .  59 LYS N    N 120.9520 . . 
      539 .  60 ASP H    H   8.5020 . . 
      540 .  60 ASP HA   H   4.5100 . . 
      541 .  60 ASP HB2  H   2.7900 . . 
      542 .  60 ASP HB3  H   2.6700 . . 
      543 .  60 ASP CA   C  55.2600 . . 
      544 .  60 ASP CB   C  38.6340 . . 
      545 .  60 ASP N    N 120.6210 . . 
      546 .  61 PHE H    H   7.9700 . . 
      547 .  61 PHE HA   H   4.2500 . . 
      548 .  61 PHE HB2  H   3.1600 . . 
      549 .  61 PHE HB3  H   3.0700 . . 
      550 .  61 PHE HD1  H   6.2800 . . 
      551 .  61 PHE HE1  H   7.3600 . . 
      552 .  61 PHE HZ   H   6.1800 . . 
      553 .  61 PHE CA   C  57.5390 . . 
      554 .  61 PHE CB   C  37.0860 . . 
      555 .  61 PHE N    N 121.3320 . . 
      556 .  62 ARG H    H   8.5800 . . 
      557 .  62 ARG HA   H   3.7500 . . 
      558 .  62 ARG HB2  H   1.9600 . . 
      559 .  62 ARG HB3  H   1.9600 . . 
      560 .  62 ARG HG2  H   1.8300 . . 
      561 .  62 ARG HG3  H   1.8300 . . 
      562 .  62 ARG HD2  H   3.3700 . . 
      563 .  62 ARG HD3  H   3.2070 . . 
      564 .  62 ARG CA   C  59.0810 . . 
      565 .  62 ARG CB   C  27.9990 . . 
      566 .  62 ARG CG   C  26.9800 . . 
      567 .  62 ARG CD   C  42.2800 . . 
      568 .  62 ARG N    N 118.3850 . . 
      569 .  63 HIS H    H   8.7490 . . 
      570 .  63 HIS HA   H   4.5500 . . 
      571 .  63 HIS HB2  H   3.4300 . . 
      572 .  63 HIS HB3  H   3.3900 . . 
      573 .  63 HIS CA   C  56.1900 . . 
      574 .  63 HIS CB   C  25.9340 . . 
      575 .  63 HIS N    N 119.5200 . . 
      576 .  64 GLY H    H   8.2110 . . 
      577 .  64 GLY HA2  H   4.0100 . . 
      578 .  64 GLY HA3  H   3.4800 . . 
      579 .  64 GLY CA   C  44.8310 . . 
      580 .  64 GLY N    N 105.9150 . . 
      581 .  65 PHE H    H   6.8780 . . 
      582 .  65 PHE HA   H   4.0500 . . 
      583 .  65 PHE HB2  H   2.7700 . . 
      584 .  65 PHE HB3  H   2.5400 . . 
      585 .  65 PHE HD1  H   6.7700 . . 
      586 .  65 PHE HE1  H   7.0900 . . 
      587 .  65 PHE HZ   H   6.5340 . . 
      588 .  65 PHE CA   C  60.0110 . . 
      589 .  65 PHE CB   C  37.4990 . . 
      590 .  65 PHE N    N 117.8250 . . 
      591 .  66 ASP H    H   7.5500 . . 
      592 .  66 ASP HA   H   4.3700 . . 
      593 .  66 ASP HB2  H   2.8100 . . 
      594 .  66 ASP HB3  H   2.5700 . . 
      595 .  66 ASP CA   C  55.6730 . . 
      596 .  66 ASP CB   C  37.4990 . . 
      597 .  66 ASP N    N 120.8930 . . 
      598 .  67 ILE H    H   7.3070 . . 
      599 .  67 ILE HA   H   3.5700 . . 
      600 .  67 ILE HB   H   1.7500 . . 
      601 .  67 ILE HG12 H   1.1300 . . 
      602 .  67 ILE HG13 H   0.9000 . . 
      603 .  67 ILE HG2  H   0.6900 . . 
      604 .  67 ILE HD1  H   0.6000 . . 
      605 .  67 ILE CA   C  61.2500 . . 
      606 .  67 ILE CB   C  34.8140 . . 
      607 .  67 ILE CG1  C  25.1000 . . 
      608 .  67 ILE CG2  C  14.6200 . . 
      609 .  67 ILE CD1  C   9.2700 . . 
      610 .  67 ILE N    N 119.9050 . . 
      611 .  68 LEU H    H   7.1390 . . 
      612 .  68 LEU HA   H   3.9800 . . 
      613 .  68 LEU HB2  H   1.7500 . . 
      614 .  68 LEU HB3  H   1.7500 . . 
      615 .  68 LEU HG   H   1.3300 . . 
      616 .  68 LEU HD1  H   0.6100 . . 
      617 .  68 LEU HD2  H   0.1200 . . 
      618 .  68 LEU CA   C  55.7770 . . 
      619 .  68 LEU CB   C  39.5640 . . 
      620 .  68 LEU CG   C  23.5300 . . 
      621 .  68 LEU CD1  C  20.7200 . . 
      622 .  68 LEU CD2  C  22.5900 . . 
      623 .  68 LEU N    N 120.9810 . . 
      624 .  69 VAL H    H   8.7900 . . 
      625 .  69 VAL HA   H   3.4300 . . 
      626 .  69 VAL HB   H   2.0900 . . 
      627 .  69 VAL HG1  H   0.9200 . . 
      628 .  69 VAL HG2  H   0.8400 . . 
      629 .  69 VAL CA   C  65.2770 . . 
      630 .  69 VAL CB   C  29.0320 . . 
      631 .  69 VAL CG1  C  22.1200 . . 
      632 .  69 VAL CG2  C  18.7100 . . 
      633 .  69 VAL N    N 119.5790 . . 
      634 .  70 GLY H    H   7.7860 . . 
      635 .  70 GLY HA2  H   3.8500 . . 
      636 .  70 GLY HA3  H   3.8500 . . 
      637 .  70 GLY CA   C  45.2440 . . 
      638 .  70 GLY N    N 106.0400 . . 
      639 .  71 GLN H    H   7.6140 . . 
      640 .  71 GLN HA   H   4.1700 . . 
      641 .  71 GLN HB2  H   2.0300 . . 
      642 .  71 GLN HB3  H   2.0300 . . 
      643 .  71 GLN HG2  H   2.4600 . . 
      644 .  71 GLN HG3  H   2.3600 . . 
      645 .  71 GLN HE21 H   7.0280 . . 
      646 .  71 GLN HE22 H   6.3760 . . 
      647 .  71 GLN CA   C  56.7060 . . 
      648 .  71 GLN CB   C  26.6560 . . 
      649 .  71 GLN CG   C  32.2000 . . 
      650 .  71 GLN N    N 120.5840 . . 
      651 .  71 GLN NE2  N 108.3020 . . 
      652 .  72 ILE H    H   8.5470 . . 
      653 .  72 ILE HA   H   3.5100 . . 
      654 .  72 ILE HB   H   2.0700 . . 
      655 .  72 ILE HG12 H   0.9100 . . 
      656 .  72 ILE HG2  H   0.8300 . . 
      657 .  72 ILE HD1  H   0.6700 . . 
      658 .  72 ILE CA   C  63.8310 . . 
      659 .  72 ILE CB   C  35.7440 . . 
      660 .  72 ILE CG2  C  20.7200 . . 
      661 .  72 ILE CD1  C  11.8800 . . 
      662 .  72 ILE N    N 124.9370 . . 
      663 .  73 ASP H    H   8.6980 . . 
      664 .  73 ASP HA   H   4.5100 . . 
      665 .  73 ASP HB2  H   2.8600 . . 
      666 .  73 ASP HB3  H   2.5800 . . 
      667 .  73 ASP CA   C  55.4620 . . 
      668 .  73 ASP CB   C  37.0860 . . 
      669 .  73 ASP N    N 121.5910 . . 
      670 .  74 ASP H    H   8.1890 . . 
      671 .  74 ASP HA   H   4.3800 . . 
      672 .  74 ASP HB2  H   2.7840 . . 
      673 .  74 ASP HB3  H   2.5800 . . 
      674 .  74 ASP CA   C  55.1540 . . 
      675 .  74 ASP CB   C  38.0150 . . 
      676 .  74 ASP N    N 122.4160 . . 
      677 .  75 ALA H    H   7.7770 . . 
      678 .  75 ALA HA   H   4.0800 . . 
      679 .  75 ALA HB   H   1.4700 . . 
      680 .  75 ALA CA   C  52.7840 . . 
      681 .  75 ALA CB   C  16.1270 . . 
      682 .  75 ALA N    N 124.5960 . . 
      683 .  76 LEU H    H   8.7500 . . 
      684 .  76 LEU HA   H   3.8600 . . 
      685 .  76 LEU HB2  H   1.9900 . . 
      686 .  76 LEU HG   H   1.4200 . . 
      687 .  76 LEU HD1  H   0.8900 . . 
      688 .  76 LEU HD2  H   0.6900 . . 
      689 .  76 LEU CA   C  55.6730 . . 
      690 .  76 LEU CB   C  39.7700 . . 
      691 .  76 LEU CG   C  29.4900 . . 
      692 .  76 LEU CD1  C  23.2500 . . 
      693 .  76 LEU CD2  C  23.0500 . . 
      694 .  76 LEU N    N 120.5490 . . 
      695 .  77 LYS H    H   7.8370 . . 
      696 .  77 LYS HA   H   4.0100 . . 
      697 .  77 LYS HB2  H   1.9000 . . 
      698 .  77 LYS HG2  H   1.4200 . . 
      699 .  77 LYS HD2  H   1.6500 . . 
      700 .  77 LYS HD3  H   1.5700 . . 
      701 .  77 LYS HE2  H   2.9000 . . 
      702 .  77 LYS CA   C  57.8430 . . 
      703 .  77 LYS CB   C  29.7550 . . 
      704 .  77 LYS CG   C  23.5600 . . 
      705 .  77 LYS CD   C  29.0100 . . 
      706 .  77 LYS CE   C  39.9400 . . 
      707 .  77 LYS N    N 120.5390 . . 
      708 .  78 LEU H    H   7.3650 . . 
      709 .  78 LEU HA   H   4.0100 . . 
      710 .  78 LEU HB2  H   2.1600 . . 
      711 .  78 LEU HB3  H   1.8300 . . 
      712 .  78 LEU HG   H   1.4600 . . 
      713 .  78 LEU HD1  H   0.7900 . . 
      714 .  78 LEU HD2  H   0.7500 . . 
      715 .  78 LEU CA   C  55.6730 . . 
      716 .  78 LEU CB   C  39.1500 . . 
      717 .  78 LEU CG   C  29.1050 . . 
      718 .  78 LEU CD1  C  25.2000 . . 
      719 .  78 LEU CD2  C  19.8700 . . 
      720 .  78 LEU N    N 117.5410 . . 
      721 .  79 ALA H    H   7.9700 . . 
      722 .  79 ALA HA   H   3.5200 . . 
      723 .  79 ALA HB   H   1.2800 . . 
      724 .  79 ALA CA   C  53.1980 . . 
      725 .  79 ALA CB   C  15.2930 . . 
      726 .  79 ALA N    N 120.3060 . . 
      727 .  80 ASN H    H   8.5260 . . 
      728 .  80 ASN HA   H   4.4300 . . 
      729 .  80 ASN HB2  H   2.8200 . . 
      730 .  80 ASN HB3  H   2.7600 . . 
      731 .  80 ASN HD21 H   7.4130 . . 
      732 .  80 ASN HD22 H   6.7410 . . 
      733 .  80 ASN CA   C  53.4040 . . 
      734 .  80 ASN CB   C  36.3610 . . 
      735 .  80 ASN N    N 117.6860 . . 
      736 .  80 ASN ND2  N 111.2720 . . 
      737 .  81 GLU H    H   7.7580 . . 
      738 .  81 GLU HA   H   4.3700 . . 
      739 .  81 GLU HB2  H   2.1200 . . 
      740 .  81 GLU HB3  H   2.0600 . . 
      741 .  81 GLU HG2  H   2.4900 . . 
      742 .  81 GLU HG3  H   2.3100 . . 
      743 .  81 GLU CA   C  53.5100 . . 
      744 .  81 GLU CB   C  27.2750 . . 
      745 .  81 GLU CG   C  32.3000 . . 
      746 .  81 GLU N    N 117.8000 . . 
      747 .  82 GLY H    H   7.7190 . . 
      748 .  82 GLY HA2  H   4.3300 . . 
      749 .  82 GLY HA3  H   3.5900 . . 
      750 .  82 GLY CA   C  43.3850 . . 
      751 .  82 GLY N    N 106.4120 . . 
      752 .  83 LYS H    H   8.1250 . . 
      753 .  83 LYS HA   H   4.5900 . . 
      754 .  83 LYS HB2  H   1.9000 . . 
      755 .  83 LYS HB3  H   1.7200 . . 
      756 .  83 LYS HG2  H   1.3000 . . 
      757 .  83 LYS HG3  H   1.2300 . . 
      758 .  83 LYS HD2  H   1.5900 . . 
      759 .  83 LYS HE2  H   2.9000 . . 
      760 .  83 LYS CA   C  52.3680 . . 
      761 .  83 LYS CB   C  27.5860 . . 
      762 .  83 LYS CG   C  22.8900 . . 
      763 .  83 LYS CD   C  26.8800 . . 
      764 .  83 LYS CE   C  40.5200 . . 
      765 .  83 LYS N    N 125.7940 . . 
      766 .  84 VAL H    H   7.4230 . . 
      767 .  84 VAL HA   H   3.2500 . . 
      768 .  84 VAL HB   H   2.0200 . . 
      769 .  84 VAL HG1  H   0.9300 . . 
      770 .  84 VAL HG2  H   0.8300 . . 
      771 .  84 VAL CA   C  65.1750 . . 
      772 .  84 VAL CB   C  29.5480 . . 
      773 .  84 VAL CG1  C  20.5000 . . 
      774 .  84 VAL CG2  C  18.8900 . . 
      775 .  84 VAL N    N 120.2100 . . 
      776 .  85 LYS H    H   8.5970 . . 
      777 .  85 LYS HA   H   4.0800 . . 
      778 .  85 LYS HB2  H   1.9900 . . 
      779 .  85 LYS HB3  H   1.8900 . . 
      780 .  85 LYS HG2  H   1.6000 . . 
      781 .  85 LYS HG3  H   1.6000 . . 
      782 .  85 LYS HD2  H   1.6000 . . 
      783 .  85 LYS HD3  H   1.6000 . . 
      784 .  85 LYS HE2  H   3.2200 . . 
      785 .  85 LYS CA   C  57.5350 . . 
      786 .  85 LYS CB   C  29.3410 . . 
      787 .  85 LYS CG   C  24.4700 . . 
      788 .  85 LYS CD   C  26.8200 . . 
      789 .  85 LYS CE   C  40.5200 . . 
      790 .  85 LYS N    N 120.9520 . . 
      791 .  86 GLU H    H   9.3100 . . 
      792 .  86 GLU HA   H   3.9700 . . 
      793 .  86 GLU HB2  H   1.8700 . . 
      794 .  86 GLU HB3  H   1.7200 . . 
      795 .  86 GLU HG2  H   2.2400 . . 
      796 .  86 GLU HG3  H   2.2400 . . 
      797 .  86 GLU CA   C  58.0500 . . 
      798 .  86 GLU CB   C  26.5530 . . 
      799 .  86 GLU CG   C  34.3000 . . 
      800 .  86 GLU N    N 121.3900 . . 
      801 .  87 ALA H    H   8.4480 . . 
      802 .  87 ALA HA   H   3.9800 . . 
      803 .  87 ALA HB   H   1.4200 . . 
      804 .  87 ALA CA   C  53.1960 . . 
      805 .  87 ALA CB   C  16.7410 . . 
      806 .  87 ALA N    N 123.8600 . . 
      807 .  88 GLN H    H   8.8500 . . 
      808 .  88 GLN HA   H   4.0400 . . 
      809 .  88 GLN HB2  H   2.0800 . . 
      810 .  88 GLN HB3  H   2.0800 . . 
      811 .  88 GLN HG2  H   2.4100 . . 
      812 .  88 GLN HG3  H   2.2600 . . 
      813 .  88 GLN HE21 H   7.4160 . . 
      814 .  88 GLN HE22 H   6.6640 . . 
      815 .  88 GLN CA   C  56.8090 . . 
      816 .  88 GLN CB   C  26.1420 . . 
      817 .  88 GLN CG   C  32.2000 . . 
      818 .  88 GLN N    N 118.2000 . . 
      819 .  88 GLN NE2  N 110.7510 . . 
      820 .  89 ALA H    H   7.8600 . . 
      821 .  89 ALA HA   H   4.1300 . . 
      822 .  89 ALA HB   H   1.4200 . . 
      823 .  89 ALA CA   C  52.7840 . . 
      824 .  89 ALA CB   C  15.5040 . . 
      825 .  89 ALA N    N 121.9880 . . 
      826 .  90 ALA H    H   7.8900 . . 
      827 .  90 ALA HA   H   4.1200 . . 
      828 .  90 ALA HB   H   1.4200 . . 
      829 .  90 ALA CA   C  52.7800 . . 
      830 .  90 ALA CB   C  16.1210 . . 
      831 .  90 ALA N    N 121.1750 . . 
      832 .  91 ALA H    H   8.7460 . . 
      833 .  91 ALA HA   H   3.8500 . . 
      834 .  91 ALA HB   H   1.4000 . . 
      835 .  91 ALA CA   C  53.1970 . . 
      836 .  91 ALA CB   C  15.6070 . . 
      837 .  91 ALA N    N 120.5490 . . 
      838 .  92 GLU H    H   7.9470 . . 
      839 .  92 GLU HA   H   3.9300 . . 
      840 .  92 GLU HB2  H   2.0700 . . 
      841 .  92 GLU HB3  H   2.0700 . . 
      842 .  92 GLU HG2  H   2.3600 . . 
      843 .  92 GLU HG3  H   2.3600 . . 
      844 .  92 GLU CA   C  57.0130 . . 
      845 .  92 GLU CB   C  26.9680 . . 
      846 .  92 GLU CG   C  34.3000 . . 
      847 .  92 GLU N    N 116.7450 . . 
      848 .  93 GLN H    H   7.5540 . . 
      849 .  93 GLN HA   H   4.1300 . . 
      850 .  93 GLN HB2  H   2.1200 . . 
      851 .  93 GLN HB3  H   2.1200 . . 
      852 .  93 GLN HG2  H   2.3600 . . 
      853 .  93 GLN HE21 H   7.4090 . . 
      854 .  93 GLN HE22 H   6.7710 . . 
      855 .  93 GLN CA   C  56.2950 . . 
      856 .  93 GLN CB   C  26.1400 . . 
      857 .  93 GLN CG   C  32.5500 . . 
      858 .  93 GLN N    N 118.9820 . . 
      859 .  93 GLN NE2  N 111.4650 . . 
      860 .  94 LEU H    H   8.7230 . . 
      861 .  94 LEU HA   H   3.9800 . . 
      862 .  94 LEU HB2  H   1.8700 . . 
      863 .  94 LEU HB3  H   1.8100 . . 
      864 .  94 LEU HG   H   1.6600 . . 
      865 .  94 LEU HD1  H   0.8000 . . 
      866 .  94 LEU HD2  H   0.6000 . . 
      867 .  94 LEU CA   C  55.5700 . . 
      868 .  94 LEU CB   C  40.1840 . . 
      869 .  94 LEU CG   C  26.8000 . . 
      870 .  94 LEU CD1  C  21.6000 . . 
      871 .  94 LEU CD2  C  21.1200 . . 
      872 .  94 LEU N    N 121.7210 . . 
      873 .  95 LYS H    H   8.0450 . . 
      874 .  95 LYS HA   H   3.9400 . . 
      875 .  95 LYS HB2  H   1.8900 . . 
      876 .  95 LYS HB3  H   1.8200 . . 
      877 .  95 LYS HG2  H   1.3600 . . 
      878 .  95 LYS HG3  H   1.2900 . . 
      879 .  95 LYS HD2  H   1.6200 . . 
      880 .  95 LYS HE2  H   2.9200 . . 
      881 .  95 LYS CA   C  58.2550 . . 
      882 .  95 LYS CB   C  30.3730 . . 
      883 .  95 LYS CG   C  23.8000 . . 
      884 .  95 LYS CD   C  28.6000 . . 
      885 .  95 LYS CE   C  40.5200 . . 
      886 .  95 LYS N    N 118.9990 . . 
      887 .  96 THR H    H   7.3460 . . 
      888 .  96 THR HA   H   3.9300 . . 
      889 .  96 THR HB   H   4.3500 . . 
      890 .  96 THR HG2  H   1.1900 . . 
      891 .  96 THR CA   C  63.8370 . . 
      892 .  96 THR CB   C  66.4170 . . 
      893 .  96 THR CG2  C  20.7200 . . 
      894 .  96 THR N    N 114.3830 . . 
      895 .  97 THR H    H   8.4900 . . 
      896 .  97 THR HA   H   3.9300 . . 
      897 .  97 THR HB   H   4.1400 . . 
      898 .  97 THR HG2  H   1.1700 . . 
      899 .  97 THR CA   C  64.3490 . . 
      900 .  97 THR CB   C  66.3100 . . 
      901 .  97 THR CG2  C  20.7200 . . 
      902 .  97 THR N    N 120.9670 . . 
      903 .  98 ILE H    H   9.2460 . . 
      904 .  98 ILE HA   H   3.5900 . . 
      905 .  98 ILE HB   H   1.8300 . . 
      906 .  98 ILE HG12 H   1.0100 . . 
      907 .  98 ILE HG2  H   0.8800 . . 
      908 .  98 ILE HD1  H   0.8600 . . 
      909 .  98 ILE CA   C  63.8310 . . 
      910 .  98 ILE CB   C  35.9500 . . 
      911 .  98 ILE CG1  C  26.1000 . . 
      912 .  98 ILE CG2  C  19.6200 . . 
      913 .  98 ILE CD1  C  11.8100 . . 
      914 .  98 ILE N    N 124.0080 . . 
      915 .  99 ARG H    H   7.4600 . . 
      916 .  99 ARG HA   H   4.1700 . . 
      917 .  99 ARG HB2  H   1.9500 . . 
      918 .  99 ARG HB3  H   1.9500 . . 
      919 .  99 ARG HG2  H   1.5400 . . 
      920 .  99 ARG HG3  H   1.5400 . . 
      921 .  99 ARG HD2  H   3.2100 . . 
      922 .  99 ARG HD3  H   3.1700 . . 
      923 .  99 ARG CA   C  57.5350 . . 
      924 .  99 ARG CB   C  27.5860 . . 
      925 .  99 ARG CG   C  24.6700 . . 
      926 .  99 ARG CD   C  42.5000 . . 
      927 .  99 ARG N    N 120.1180 . . 
      928 . 100 ALA H    H   7.9380 . . 
      929 . 100 ALA HA   H   3.9200 . . 
      930 . 100 ALA HB   H   1.4600 . . 
      931 . 100 ALA CA   C  52.7840 . . 
      932 . 100 ALA CB   C  15.7110 . . 
      933 . 100 ALA N    N 120.4320 . . 
      934 . 101 TYR H    H   8.2110 . . 
      935 . 101 TYR HA   H   4.0700 . . 
      936 . 101 TYR HB2  H   2.9400 . . 
      937 . 101 TYR HB3  H   2.8100 . . 
      938 . 101 TYR HD1  H   6.5400 . . 
      939 . 101 TYR HE1  H   6.1900 . . 
      940 . 101 TYR CA   C  59.9070 . . 
      941 . 101 TYR CB   C  36.7760 . . 
      942 . 101 TYR N    N 122.6180 . . 
      943 . 102 ASN H    H   8.3330 . . 
      944 . 102 ASN HA   H   4.5800 . . 
      945 . 102 ASN HB2  H   2.9400 . . 
      946 . 102 ASN HB3  H   2.8100 . . 
      947 . 102 ASN HD21 H   7.2500 . . 
      948 . 102 ASN HD22 H   6.7410 . . 
      949 . 102 ASN CA   C  54.2280 . . 
      950 . 102 ASN CB   C  36.6770 . . 
      951 . 102 ASN N    N 114.8970 . . 
      952 . 102 ASN ND2  N 111.2390 . . 
      953 . 103 GLN H    H   8.3040 . . 
      954 . 103 GLN HA   H   4.0600 . . 
      955 . 103 GLN HB2  H   2.1600 . . 
      956 . 103 GLN HB3  H   2.0200 . . 
      957 . 103 GLN HG2  H   2.4500 . . 
      958 . 103 GLN HG3  H   2.3900 . . 
      959 . 103 GLN HE21 H   7.4090 . . 
      960 . 103 GLN HE22 H   6.7660 . . 
      961 . 103 GLN CA   C  56.1900 . . 
      962 . 103 GLN CB   C  26.3460 . . 
      963 . 103 GLN CG   C  32.4500 . . 
      964 . 103 GLN N    N 118.6250 . . 
      965 . 103 GLN NE2  N 111.4340 . . 
      966 . 104 LYS H    H   7.7020 . . 
      967 . 104 LYS HA   H   3.8400 . . 
      968 . 104 LYS HB2  H   1.5800 . . 
      969 . 104 LYS HB3  H   1.5200 . . 
      970 . 104 LYS HG2  H   1.0100 . . 
      971 . 104 LYS HG3  H   0.5700 . . 
      972 . 104 LYS HD2  H   1.4000 . . 
      973 . 104 LYS HD3  H   1.3600 . . 
      974 . 104 LYS HE2  H   2.7000 . . 
      975 . 104 LYS CA   C  56.6030 . . 
      976 . 104 LYS CB   C  29.7540 . . 
      977 . 104 LYS CG   C  22.5900 . . 
      978 . 104 LYS CD   C  27.7400 . . 
      979 . 104 LYS CE   C  40.5200 . . 
      980 . 104 LYS N    N 120.1690 . . 
      981 . 105 TYR H    H   7.1350 . . 
      982 . 105 TYR HA   H   4.2900 . . 
      983 . 105 TYR HB2  H   3.1000 . . 
      984 . 105 TYR HB3  H   2.5300 . . 
      985 . 105 TYR HD1  H   6.8300 . . 
      986 . 105 TYR HE1  H   6.4600 . . 
      987 . 105 TYR CA   C  57.0160 . . 
      988 . 105 TYR CB   C  37.1890 . . 
      989 . 105 TYR N    N 115.3780 . . 
      990 . 106 GLY H    H   7.3060 . . 
      991 . 106 GLY HA2  H   3.9400 . . 
      992 . 106 GLY HA3  H   3.5900 . . 
      993 . 106 GLY CA   C  44.2210 . . 
      994 . 106 GLY N    N 113.2800 . . 

   stop_

save_


    ########################
    #  Coupling constants  #
    ########################

save_coupling_constants_set_1
   _Saveframe_category          coupling_constants

   _Details                     .

   loop_
      _Sample_label

      $sample_1 

   stop_

   _Sample_conditions_label    $sample_cond_1
   _Spectrometer_frequency_1H   750
   _Mol_system_component_name   ?
   _Text_data_format            .
   _Text_data                   .

   loop_
      _Coupling_constant_ID
      _Coupling_constant_code
      _Atom_one_residue_seq_code
      _Atom_one_residue_label
      _Atom_one_name
      _Atom_two_residue_seq_code
      _Atom_two_residue_label
      _Atom_two_name
      _Coupling_constant_value
      _Coupling_constant_min_value
      _Coupling_constant_max_value
      _Coupling_constant_value_error

       1 3JHNHA   2 ASP H   2 ASP HA 7.348 . . 0.5 
       2 3JHNHA   4 GLU H   4 GLU HA 7.682 . . 0.5 
       3 3JHNHA   5 ASP H   5 ASP HA 8.529 . . 0.5 
       4 3JHNHA   6 ASN H   6 ASN HA 6.472 . . 0.5 
       5 3JHNHA   9 THR H   9 THR HA 7.910 . . 0.5 
       6 3JHNHA  10 GLY H  10 GLY HA 7.364 . . 0.5 
       7 3JHNHA  11 ASN H  11 ASN HA 8.335 . . 0.5 
       8 3JHNHA  13 ASN H  13 ASN HA 7.698 . . 0.5 
       9 3JHNHA  14 GLY H  14 GLY HA 7.664 . . 0.5 
      10 3JHNHA  15 LYS H  15 LYS HA 8.536 . . 0.5 
      11 3JHNHA  16 GLY H  16 GLY HA 7.717 . . 0.5 
      12 3JHNHA  17 GLY H  17 GLY HA 7.743 . . 0.5 
      13 3JHNHA  20 ALA H  20 ALA HA 7.831 . . 0.5 
      14 3JHNHA  21 ASP H  21 ASP HA 7.658 . . 0.5 
      15 3JHNHA  22 ASN H  22 ASN HA 6.380 . . 0.5 
      16 3JHNHA  24 ALA H  24 ALA HA 2.798 . . 0.5 
      17 3JHNHA  25 GLN H  25 GLN HA 4.703 . . 0.5 
      18 3JHNHA  27 LYS H  27 LYS HA 3.556 . . 0.5 
      19 3JHNHA  28 ASP H  28 ASP HA 4.041 . . 0.5 
      20 3JHNHA  30 LEU H  30 LEU HA 6.998 . . 0.5 
      21 3JHNHA  31 THR H  31 THR HA 3.782 . . 0.5 
      22 3JHNHA  34 ARG H  34 ARG HA 3.684 . . 0.5 
      23 3JHNHA  35 ALA H  35 ALA HA 3.550 . . 0.5 
      24 3JHNHA  36 ALA H  36 ALA HA 4.291 . . 0.5 
      25 3JHNHA  38 LEU H  38 LEU HA 5.102 . . 0.5 
      26 3JHNHA  39 ASP H  39 ASP HA 4.856 . . 0.5 
      27 3JHNHA  40 ALA H  40 ALA HA 5.321 . . 0.5 
      28 3JHNHA  41 GLN H  41 GLN HA 3.490 . . 0.5 
      29 3JHNHA  43 ALA H  43 ALA HA 9.116 . . 0.5 
      30 3JHNHA  44 THR H  44 THR HA 0.023 . . 0.5 
      31 3JHNHA  47 LYS H  47 LYS HA 4.355 . . 0.5 
      32 3JHNHA  48 LEU H  48 LEU HA 7.491 . . 0.5 
      33 3JHNHA  50 ASP H  50 ASP HA 8.382 . . 0.5 
      34 3JHNHA  51 LYS H  51 LYS HA 7.963 . . 0.5 
      35 3JHNHA  52 SER H  52 SER HA 3.799 . . 0.5 
      36 3JHNHA  54 ASP H  54 ASP HA 9.579 . . 0.5 
      37 3JHNHA  55 SER H  55 SER HA 5.655 . . 0.5 
      38 3JHNHA  57 GLU H  57 GLU HA 3.425 . . 0.5 
      39 3JHNHA  58 MET H  58 MET HA 3.624 . . 0.5 
      40 3JHNHA  59 LYS H  59 LYS HA 4.378 . . 0.5 
      41 3JHNHA  60 ASP H  60 ASP HA 3.938 . . 0.5 
      42 3JHNHA  61 PHE H  61 PHE HA 4.676 . . 0.5 
      43 3JHNHA  62 ARG H  62 ARG HA 4.082 . . 0.5 
      44 3JHNHA  63 HIS H  63 HIS HA 2.766 . . 0.5 
      45 3JHNHA  65 PHE H  65 PHE HA 6.878 . . 0.5 
      46 3JHNHA  67 ILE H  67 ILE HA 4.844 . . 0.5 
      47 3JHNHA  68 LEU H  68 LEU HA 4.626 . . 0.5 
      48 3JHNHA  69 VAL H  69 VAL HA 4.037 . . 0.5 
      49 3JHNHA  70 GLY H  70 GLY HA 6.392 . . 0.5 
      50 3JHNHA  72 ILE H  72 ILE HA 5.310 . . 0.5 
      51 3JHNHA  74 ASP H  74 ASP HA 4.344 . . 0.5 
      52 3JHNHA  75 ALA H  75 ALA HA 5.645 . . 0.5 
      53 3JHNHA  77 LYS H  77 LYS HA 3.867 . . 0.5 
      54 3JHNHA  78 LEU H  78 LEU HA 3.120 . . 0.5 
      55 3JHNHA  79 ALA H  79 ALA HA 6.774 . . 0.5 
      56 3JHNHA  81 GLU H  81 GLU HA 7.015 . . 0.5 
      57 3JHNHA  82 GLY H  82 GLY HA 6.158 . . 0.5 
      58 3JHNHA  83 LYS H  83 LYS HA 4.961 . . 0.5 
      59 3JHNHA  84 VAL H  84 VAL HA 4.367 . . 0.5 
      60 3JHNHA  85 LYS H  85 LYS HA 4.303 . . 0.5 
      61 3JHNHA  87 ALA H  87 ALA HA 4.460 . . 0.5 
      62 3JHNHA  90 ALA H  90 ALA HA 4.565 . . 0.5 
      63 3JHNHA  91 ALA H  91 ALA HA 4.306 . . 0.5 
      64 3JHNHA  92 GLU H  92 GLU HA 4.920 . . 0.5 
      65 3JHNHA  94 LEU H  94 LEU HA 3.359 . . 0.5 
      66 3JHNHA  95 LYS H  95 LYS HA 6.426 . . 0.5 
      67 3JHNHA  96 THR H  96 THR HA 4.199 . . 0.5 
      68 3JHNHA  96 THR H  96 THR HA 3.523 . . 0.5 
      69 3JHNHA  97 THR H  97 THR HA 4.630 . . 0.5 
      70 3JHNHA  98 ILE H  98 ILE HA 4.047 . . 0.5 
      71 3JHNHA  99 ARG H  99 ARG HA 3.093 . . 0.5 
      72 3JHNHA 101 TYR H 101 TYR HA 5.870 . . 0.5 
      73 3JHNHA 102 ASN H 102 ASN HA 5.655 . . 0.5 
      74 3JHNHA 104 LYS H 104 LYS HA 9.594 . . 0.5 
      75 3JHNHA 105 TYR H 105 TYR HA 5.830 . . 0.5 
      76 3JHNHA 105 TYR H 105 TYR HA 4.997 . . 0.5 

   stop_

save_