data_17008

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

save_entry_information
   _Saveframe_category      entry_information

   _Entry_title            
;
Solution NMR Structure of Peptide methionine sulfoxide reductase msrB from Bacillus subtilis, Northeast Structural Genomics Consortium Target SR10
;

   loop_
      _Author_ordinal
      _Author_family_name
      _Author_given_name
      _Author_middle_initials
      _Author_family_title

       1 Ertekin    Asli      .  . 
       2 Cooper     Bonnie    .  . 
       3 Ciccosanti Colleen   .  . 
       4 Rost       Burkhard  .  . 
       5 Acton      Thomas    B. . 
       6 Xiao       Rong      .  . 
       7 Everett    John      K. . 
       8 Montelione Gaetano   T. . 
       9 Rossi      Paolo     .  . 
      10 Maglaqui   Melissa   .  . 
      11 Janjua     Haleema   .  . 
      12 Prestegard James     .  . 
      13 Lee        Hsiau-Wei .  . 
      14 Aramini    James     M. . 

   stop_

   _BMRB_accession_number   17008
   _BMRB_flat_file_name     bmr17008.str
   _Entry_type              new
   _Submission_date         2010-06-18
   _Accession_date          2010-06-18
   _Entry_origination       author
   _NMR_STAR_version        2.1.1
   _Experimental_method     NMR
   _Details                 .

   loop_
      _Saveframe_category_type
      _Saveframe_category_type_count

      assigned_chemical_shifts 1 
      spectral_peak_list       6 

   stop_

   loop_
      _Data_type
      _Data_type_count

      '13C chemical shifts' 456 
      '1H chemical shifts'  276 
      '15N chemical shifts' 140 

   stop_

   loop_
      _Revision_date
      _Revision_keyword
      _Revision_author
      _Revision_detail

      2010-07-07 original author . 

   stop_

   loop_
      _Related_BMRB_accession_number
      _Relationship

      5619 'Resonance assignments for SR10' 

   stop_

save_


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

save_citations
   _Saveframe_category           entry_citation

   _Citation_full                .
   _Citation_title              'Northeast Structural Genomics Consortium Target SR10'
   _Citation_status             'in preparation'
   _Citation_type                journal
   _CAS_abstract_code            .
   _MEDLINE_UI_code              .
   _PubMed_ID                    ?

   loop_
      _Author_ordinal
      _Author_family_name
      _Author_given_name
      _Author_middle_initials
      _Author_family_title

      1 Ertekin    Asli .  . 
      2 Xiao       R.   .  . 
      3 Montelione G.   T. . 

   stop_

   _Journal_abbreviation        'To be published'
   _Journal_volume               .
   _Journal_issue                .
   _Journal_CSD                  .
   _Book_chapter_title           .
   _Book_volume                  .
   _Book_series                  .
   _Book_ISBN                    .
   _Conference_state_province    .
   _Conference_abstract_number   .
   _Page_first                   .
   _Page_last                    .
   _Year                         .
   _Details                      .

save_


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

save_assembly
   _Saveframe_category         molecular_system

   _Mol_system_name            SR10
   _Enzyme_commission_number   .

   loop_
      _Mol_system_component_name
      _Mol_label

      SR10 $SR10 

   stop_

   _System_molecular_weight    16600
   _System_physical_state      native
   _System_oligomer_state      ?
   _System_paramagnetic        no
   _System_thiol_state         .
   _Database_query_date        .
   _Details                    .

save_


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

save_SR10
   _Saveframe_category                          monomeric_polymer

   _Mol_type                                    polymer
   _Mol_polymer_class                           protein
   _Name_common                                 SR10
   _Molecular_mass                              17145.258
   _Mol_thiol_state                            'all free'

   loop_
      _Biological_function

      'Peptide Methionine Sulfoxide reductase' 

   stop_

   _Details                                     .

   	##############################
   	#  Polymer residue sequence  #
   	##############################
   
      _Residue_count                               151
   _Mol_residue_sequence                       
;
MAYNKEEKIKSLNRMQYEVT
QNNGTEPPFQNEYWDHKEEG
LYVDIVSGKPLFTSKDKFDS
QCGWPSFTKPIEEEVEEKLD
TSHGMIRTEVRSRTADSHLG
HVFNDGPGPNGLRYCINSAA
LRFVPKHKLKEEGYESYLHL
FNKLEHHHHHH
;

   loop_
      _Residue_seq_code
      _Residue_label

        1 MET    2 ALA    3 TYR    4 ASN    5 LYS 
        6 GLU    7 GLU    8 LYS    9 ILE   10 LYS 
       11 SER   12 LEU   13 ASN   14 ARG   15 MET 
       16 GLN   17 TYR   18 GLU   19 VAL   20 THR 
       21 GLN   22 ASN   23 ASN   24 GLY   25 THR 
       26 GLU   27 PRO   28 PRO   29 PHE   30 GLN 
       31 ASN   32 GLU   33 TYR   34 TRP   35 ASP 
       36 HIS   37 LYS   38 GLU   39 GLU   40 GLY 
       41 LEU   42 TYR   43 VAL   44 ASP   45 ILE 
       46 VAL   47 SER   48 GLY   49 LYS   50 PRO 
       51 LEU   52 PHE   53 THR   54 SER   55 LYS 
       56 ASP   57 LYS   58 PHE   59 ASP   60 SER 
       61 GLN   62 CYS   63 GLY   64 TRP   65 PRO 
       66 SER   67 PHE   68 THR   69 LYS   70 PRO 
       71 ILE   72 GLU   73 GLU   74 GLU   75 VAL 
       76 GLU   77 GLU   78 LYS   79 LEU   80 ASP 
       81 THR   82 SER   83 HIS   84 GLY   85 MET 
       86 ILE   87 ARG   88 THR   89 GLU   90 VAL 
       91 ARG   92 SER   93 ARG   94 THR   95 ALA 
       96 ASP   97 SER   98 HIS   99 LEU  100 GLY 
      101 HIS  102 VAL  103 PHE  104 ASN  105 ASP 
      106 GLY  107 PRO  108 GLY  109 PRO  110 ASN 
      111 GLY  112 LEU  113 ARG  114 TYR  115 CYS 
      116 ILE  117 ASN  118 SER  119 ALA  120 ALA 
      121 LEU  122 ARG  123 PHE  124 VAL  125 PRO 
      126 LYS  127 HIS  128 LYS  129 LEU  130 LYS 
      131 GLU  132 GLU  133 GLY  134 TYR  135 GLU 
      136 SER  137 TYR  138 LEU  139 HIS  140 LEU 
      141 PHE  142 ASN  143 LYS  144 LEU  145 GLU 
      146 HIS  147 HIS  148 HIS  149 HIS  150 HIS 
      151 HIS 

   stop_

   _Sequence_homology_query_date                .
   _Sequence_homology_query_revised_last_date   2011-12-03

   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         5619  MsrB                                                                                                                             100.00 151 100.00 100.00 3.20e-85 
      PDB  2KZN          "Solution Nmr Structure Of Peptide Methionine Sulfoxide Reductase Msrb From Bacillus Subtilis, Northeast Structural Genomics Con" 100.00 151 100.00 100.00 3.20e-85 
      PDB  3E0O          "Crystal Structure Of Msrb"                                                                                                        94.70 144 100.00 100.00 2.35e-80 
      GB   AEP91184      "methionine-R-sulfoxide reductase [Bacillus subtilis subsp. subtilis RO-NN-1]"                                                     95.36 144  97.92  98.61 2.65e-74 
      REF  NP_390051     "methionine sulfoxide reductase B [Bacillus subtilis subsp. subtilis str. 168]"                                                    94.70 143 100.00 100.00 2.29e-80 
      REF  YP_004203921  "methionine sulfoxide reductase B [Bacillus subtilis BSn5]"                                                                        95.36 144  98.61  98.61 1.93e-74 

   stop_

save_


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

save_natural_source
   _Saveframe_category   natural_source


   loop_
      _Mol_label
      _Organism_name_common
      _NCBI_taxonomy_ID
      _Superkingdom
      _Kingdom
      _Genus
      _Species
      _Gene_mnemonic

      $SR10 'Bacillus subtilis' 1423 Bacteria . Bacillus subtilis BSU21680 

   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

      $SR10 'recombinant technology' . Escherichia coli BL21(DE3)pMgK 'pET 14-15C' 

   stop_

save_


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

save_SR10.026
   _Saveframe_category   sample

   _Sample_type          solution
   _Details             'U-2H,13C,15N-selectively 1H Leu HD1,2;Val HG1,2;Ile HD1'

   loop_
      _Mol_label
      _Concentration_value
      _Concentration_value_units
      _Isotopic_labeling

      $SR10                  0.8  mM '[U-100% 13C; U-100% 15N; U-100% 2H]' 
       DTT                  10    mM 'natural abundance'                   
      'sodium azide'         0.02 %  'natural abundance'                   
      'calcium chloride'     5    mM 'natural abundance'                   
      'sodium chloride'    100    mM 'natural abundance'                   
      'protease inhibitor'   1    x  'natural abundance'                   
       MES                  20    mM 'natural abundance'                   
       DSS                  50    uM 'natural abundance'                   
       H2O                  90    %  'natural abundance'                   
       D2O                  10    %  'natural abundance'                   

   stop_

save_


save_SR10.022
   _Saveframe_category   sample

   _Sample_type          solution
   _Details              .

   loop_
      _Mol_label
      _Concentration_value
      _Concentration_value_units
      _Isotopic_labeling

      $SR10                  1.2  mM '[U-5% 13C; U-100% 15N]' 
       DTT                  10    mM 'natural abundance'      
      'sodium azide'         0.02 %  'natural abundance'      
      'calcium chloride'     5    mM 'natural abundance'      
      'sodium chloride'    100    mM 'natural abundance'      
      'protease inhibitor'   1    x  'natural abundance'      
       MES                  20    mM 'natural abundance'      
       DSS                  50    uM 'natural abundance'      
       H2O                  90    %  'natural abundance'      
       D2O                  10    %  'natural abundance'      

   stop_

save_


save_SR10.022_2
   _Saveframe_category   sample

   _Sample_type          solution
   _Details             'Anisotropic sample containing phage'

   loop_
      _Mol_label
      _Concentration_value
      _Concentration_value_units
      _Isotopic_labeling

      $SR10                  1.2  mM '[U-5% 13C; U-100% 15N]' 
       DTT                  10    mM 'natural abundance'      
      'sodium azide'         0.02 %  'natural abundance'      
      'calcium chloride'     5    mM 'natural abundance'      
      'sodium chloride'    200    mM 'natural abundance'      
      'protease inhibitor'   1    x  'natural abundance'      
       MES                  20    mM 'natural abundance'      
       DSS                  50    uM 'natural abundance'      
       H2O                  90    %  'natural abundance'      
       D2O                  10    %  'natural abundance'      

   stop_

save_


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

save_CNS
   _Saveframe_category   software

   _Name                 CNS
   _Version              .

   loop_
      _Vendor
      _Address
      _Electronic_address

      'Brunger, Adams, Clore, Gros, Nilges and Read' . . 

   stop_

   loop_
      _Task

       refinemen              
      'structure solution'    
      'geometry optimization' 

   stop_

   _Details              .

save_


save_CYANA
   _Saveframe_category   software

   _Name                 CYANA
   _Version              3.0

   loop_
      _Vendor
      _Address
      _Electronic_address

      'Guntert, Mumenthaler and Wuthrich' . . 

   stop_

   loop_
      _Task

      'structure solution'    
      'geometry optimization' 

   stop_

   _Details              .

save_


save_NMRPipe
   _Saveframe_category   software

   _Name                 NMRPipe
   _Version              .

   loop_
      _Vendor
      _Address
      _Electronic_address

      'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 

   stop_

   loop_
      _Task

      processing 

   stop_

   _Details              .

save_


save_TOPSPIN
   _Saveframe_category   software

   _Name                 TOPSPIN
   _Version              .

   loop_
      _Vendor
      _Address
      _Electronic_address

      'Bruker Biospin' . . 

   stop_

   loop_
      _Task

      collection 

   stop_

   _Details              .

save_


save_SPARKY
   _Saveframe_category   software

   _Name                 SPARKY
   _Version              .

   loop_
      _Vendor
      _Address
      _Electronic_address

      Goddard . . 

   stop_

   loop_
      _Task

      'data analysis' 
      'peak picking'  

   stop_

   _Details              .

save_


save_TALOS+
   _Saveframe_category   software

   _Name                 TALOS+
   _Version              .

   loop_
      _Vendor
      _Address
      _Electronic_address

      'Shen, Cornilescu, Delaglio and Bax' . . 

   stop_

   loop_
      _Task

      'geometry optimization' 

   stop_

   _Details              .

save_


save_PALES
   _Saveframe_category   software

   _Name                 PALES
   _Version              .

   loop_
      _Vendor
      _Address
      _Electronic_address

      'PALES (Zweckstetter, Bax)' . . 

   stop_

   loop_
      _Task

      'geometry optimization' 

   stop_

   _Details              .

save_


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

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

save_spectrometer_1
   _Saveframe_category   NMR_spectrometer

   _Manufacturer         Bruker
   _Model                Avance
   _Field_strength       800
   _Details              .

save_


save_spectrometer_2
   _Saveframe_category   NMR_spectrometer

   _Manufacturer         Varian
   _Model                INOVA
   _Field_strength       600
   _Details              .

save_


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

save_2D_1H-15N_HSQC_1
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '2D 1H-15N HSQC'
   _Sample_label        $SR10.026

save_


save_2D_1H-13C_HSQC_2
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '2D 1H-13C HSQC'
   _Sample_label        $SR10.026

save_


save_3D_HNCO_3
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D HNCO'
   _Sample_label        $SR10.026

save_


save_3D_HNCA_4
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D HNCA'
   _Sample_label        $SR10.026

save_


save_3D_TRHNCACB_2H_dec_5
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D TRHNCACB 2H dec'
   _Sample_label        $SR10.026

save_


save_3D_HN(CA)CO_6
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D HN(CA)CO'
   _Sample_label        $SR10.026

save_


save_2D_1H-15N_HSQC_-_T1_7
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '2D 1H-15N HSQC - T1'
   _Sample_label        $SR10.026

save_


save_2D_1H-15N_HSQC_-_T2_8
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '2D 1H-15N HSQC - T2'
   _Sample_label        $SR10.026

save_


save_3D_1H-15N_NOESY_9
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D 1H-15N NOESY'
   _Sample_label        $SR10.026

save_


save_3D_1H-13C_NOESY_10
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D 1H-13C NOESY'
   _Sample_label        $SR10.026

save_


save_3D_(N15)HSQC-NOESY-(N15)HSQC_11
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D (N15)HSQC-NOESY-(N15)HSQC'
   _Sample_label        $SR10.026

save_


save_3D_(C13)HSQC-NOESY-(C13)HSQC_12
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D (C13)HSQC-NOESY-(C13)HSQC'
   _Sample_label        $SR10.026

save_


save_3D_(N15)HSQC-NOESY-(C13)HSQC_13
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D (N15)HSQC-NOESY-(C13)HSQC'
   _Sample_label        $SR10.026

save_


save_3D_(C13)HSQC-NOESY-(N15)HSQC_14
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D (C13)HSQC-NOESY-(N15)HSQC'
   _Sample_label        $SR10.026

save_


save_2D_1H-13C_HSQC_15
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '2D 1H-13C HSQC'
   _Sample_label        $SR10.022

save_


save_2D_1H-15N_TROSY_16
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '2D 1H-15N TROSY'
   _Sample_label        $SR10.022_2

save_


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

save_sample_conditions_1
   _Saveframe_category   sample_conditions

   _Details              .

   loop_
      _Variable_type
      _Variable_value
      _Variable_value_error
      _Variable_value_units

      pH            6.5 . pH  
      pressure      1   . atm 
      temperature 298   . K   

   stop_

save_


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

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

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

save_chemical_shift_reference_1
   _Saveframe_category   chemical_shift_reference

   _Details              .

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

      DSS H  1 'methyl protons' ppm 0 internal direct   . . . 1.00        
      DSS C 13 'methyl protons' ppm 0 internal indirect . . . 0.251449530 
      DSS N 15 'methyl protons' ppm 0 internal indirect . . . 0.101329118 

   stop_

save_


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

###################################################################
#       Chemical Shift Ambiguity Index Value Definitions          #
#                                                                 #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains.                              #
#                                                                 #
#   Index Value            Definition                             #
#                                                                 #
#      1             Unique (including isolated methyl protons,   #
#                         geminal atoms, and geminal methyl       #
#                         groups with identical chemical shifts)  #
#                         (e.g. ILE HD11, HD12, HD13 protons)     #
#      2             Ambiguity of geminal atoms or geminal methyl #
#                         proton groups (e.g. ASP HB2 and HB3     #
#                         protons, LEU CD1 and CD2 carbons, or    #
#                         LEU HD11, HD12, HD13 and HD21, HD22,    #
#                         HD23 methyl protons)                    #
#      3             Aromatic atoms on opposite sides of          #
#                         symmetrical rings (e.g. TYR HE1 and HE2 #
#                         protons)                                #
#      4             Intraresidue ambiguities (e.g. LYS HG and    #
#                         HD protons or TRP HZ2 and HZ3 protons)  #
#      5             Interresidue ambiguities (LYS 12 vs. LYS 27) #
#      6             Intermolecular ambiguities (e.g. ASP 31 CA   #
#                         in monomer 1 and ASP 31 CA in monomer 2 #
#                         of an asymmetrical homodimer, duplex    #
#                         DNA assignments, or other assignments   #
#                         that may apply to atoms in one or more  #
#                         molecule in the molecular assembly)     #
#      9             Ambiguous, specific ambiguity not defined    #
#                                                                 #
###################################################################
save_assigned_chem_shift_list_1
   _Saveframe_category               assigned_chemical_shifts

   _Details                         'Talos+ corrections for 2H shift effect on CA,CB = -0.491ppm and on C'=-0.543ppm was applied.'

   loop_
      _Software_label

      $SPARKY 

   stop_

   loop_
      _Experiment_label

      '2D 1H-15N HSQC'     
      '2D 1H-13C HSQC'     
      '3D HNCO'            
      '3D TRHNCACB 2H dec' 
      '3D HN(CA)CO'        

   stop_

   loop_
      _Sample_label

      $SR10.026 

   stop_

   _Sample_conditions_label         $sample_conditions_1
   _Chem_shift_reference_set_label  $chemical_shift_reference_1
   _Mol_system_component_name        SR10
   _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   3   3 TYR C    C 174.383 0.3  1 
        2   3   3 TYR CA   C  57.651 0.3  1 
        3   3   3 TYR CB   C  39.017 0.3  1 
        4   4   4 ASN H    H   8.357 0.03 1 
        5   4   4 ASN C    C 174.942 0.3  1 
        6   4   4 ASN CA   C  52.342 0.3  1 
        7   4   4 ASN CB   C  39.088 0.3  1 
        8   4   4 ASN N    N 124.515 0.3  1 
        9   5   5 LYS H    H   8.496 0.03 1 
       10   5   5 LYS C    C 177.536 0.3  1 
       11   5   5 LYS CA   C  60.228 0.3  1 
       12   5   5 LYS CB   C  32.352 0.3  1 
       13   5   5 LYS N    N 126.391 0.3  1 
       14   6   6 GLU H    H   8.283 0.03 1 
       15   6   6 GLU C    C 179.826 0.3  1 
       16   6   6 GLU CA   C  60.286 0.3  1 
       17   6   6 GLU CB   C  28.707 0.3  1 
       18   6   6 GLU N    N 117.538 0.3  1 
       19   7   7 GLU H    H   7.924 0.03 1 
       20   7   7 GLU C    C 180.131 0.3  1 
       21   7   7 GLU CA   C  58.813 0.3  1 
       22   7   7 GLU CB   C  29.444 0.3  1 
       23   7   7 GLU N    N 118.124 0.3  1 
       24   8   8 LYS H    H   8.140 0.03 1 
       25   8   8 LYS C    C 181.502 0.3  1 
       26   8   8 LYS CA   C  57.330 0.3  1 
       27   8   8 LYS CB   C  31.081 0.3  1 
       28   8   8 LYS N    N 119.832 0.3  1 
       29   9   9 ILE H    H   8.650 0.03 1 
       30   9   9 ILE HD1  H   0.822 0.03 1 
       31   9   9 ILE C    C 178.965 0.3  1 
       32   9   9 ILE CA   C  65.171 0.3  1 
       33   9   9 ILE CB   C  36.974 0.3  1 
       34   9   9 ILE CD1  C  13.826 0.3  1 
       35   9   9 ILE N    N 119.228 0.3  1 
       36  10  10 LYS H    H   7.587 0.03 1 
       37  10  10 LYS C    C 177.608 0.3  1 
       38  10  10 LYS CA   C  58.752 0.3  1 
       39  10  10 LYS CB   C  31.939 0.3  1 
       40  10  10 LYS N    N 118.819 0.3  1 
       41  11  11 SER H    H   7.595 0.03 1 
       42  11  11 SER C    C 174.643 0.3  1 
       43  11  11 SER CA   C  59.108 0.3  1 
       44  11  11 SER CB   C  64.488 0.3  1 
       45  11  11 SER N    N 112.198 0.3  1 
       46  12  12 LEU H    H   7.281 0.03 1 
       47  12  12 LEU HD1  H   0.822 0.03 1 
       48  12  12 LEU HD2  H   0.744 0.03 1 
       49  12  12 LEU C    C 178.383 0.3  1 
       50  12  12 LEU CA   C  55.038 0.3  1 
       51  12  12 LEU CB   C  41.407 0.3  1 
       52  12  12 LEU CD1  C  26.010 0.3  1 
       53  12  12 LEU CD2  C  21.585 0.3  1 
       54  12  12 LEU N    N 121.415 0.3  1 
       55  13  13 ASN H    H   8.858 0.03 1 
       56  13  13 ASN HD21 H   8.353 0.03 2 
       57  13  13 ASN HD22 H   7.199 0.03 2 
       58  13  13 ASN C    C 175.733 0.3  1 
       59  13  13 ASN CA   C  51.887 0.3  1 
       60  13  13 ASN CB   C  37.371 0.3  1 
       61  13  13 ASN N    N 119.891 0.3  1 
       62  13  13 ASN ND2  N 116.409 0.3  1 
       63  14  14 ARG H    H   8.331 0.03 1 
       64  14  14 ARG C    C 179.356 0.3  1 
       65  14  14 ARG CA   C  60.053 0.3  1 
       66  14  14 ARG CB   C  29.457 0.3  1 
       67  14  14 ARG N    N 116.613 0.3  1 
       68  15  15 MET H    H   8.348 0.03 1 
       69  15  15 MET C    C 178.879 0.3  1 
       70  15  15 MET CA   C  57.199 0.3  1 
       71  15  15 MET CB   C  30.916 0.3  1 
       72  15  15 MET N    N 120.120 0.3  1 
       73  16  16 GLN H    H   8.839 0.03 1 
       74  16  16 GLN HE21 H   6.788 0.03 2 
       75  16  16 GLN HE22 H   7.862 0.03 2 
       76  16  16 GLN C    C 181.123 0.3  1 
       77  16  16 GLN CA   C  58.693 0.3  1 
       78  16  16 GLN CB   C  29.050 0.3  1 
       79  16  16 GLN N    N 117.689 0.3  1 
       80  16  16 GLN NE2  N 111.582 0.3  1 
       81  17  17 TYR H    H   9.162 0.03 1 
       82  17  17 TYR C    C 177.265 0.3  1 
       83  17  17 TYR CA   C  62.776 0.3  1 
       84  17  17 TYR CB   C  38.559 0.3  1 
       85  17  17 TYR N    N 122.699 0.3  1 
       86  18  18 GLU H    H   8.935 0.03 1 
       87  18  18 GLU C    C 180.769 0.3  1 
       88  18  18 GLU CA   C  59.241 0.3  1 
       89  18  18 GLU CB   C  29.054 0.3  1 
       90  18  18 GLU N    N 121.325 0.3  1 
       91  19  19 VAL H    H   8.639 0.03 1 
       92  19  19 VAL HG1  H   0.952 0.03 1 
       93  19  19 VAL HG2  H   0.883 0.03 1 
       94  19  19 VAL C    C 177.537 0.3  1 
       95  19  19 VAL CA   C  65.857 0.3  1 
       96  19  19 VAL CB   C  32.215 0.3  1 
       97  19  19 VAL CG1  C  20.618 0.3  1 
       98  19  19 VAL CG2  C  22.683 0.3  1 
       99  19  19 VAL N    N 116.170 0.3  1 
      100  20  20 THR H    H   7.714 0.03 1 
      101  20  20 THR C    C 178.522 0.3  1 
      102  20  20 THR CA   C  65.488 0.3  1 
      103  20  20 THR CB   C  69.864 0.3  1 
      104  20  20 THR N    N 104.445 0.3  1 
      105  21  21 GLN H    H   8.617 0.03 1 
      106  21  21 GLN C    C 177.039 0.3  1 
      107  21  21 GLN CA   C  54.915 0.3  1 
      108  21  21 GLN CB   C  27.660 0.3  1 
      109  21  21 GLN N    N 116.141 0.3  1 
      110  22  22 ASN H    H   6.847 0.03 1 
      111  22  22 ASN HD21 H   8.112 0.03 2 
      112  22  22 ASN HD22 H   6.892 0.03 2 
      113  22  22 ASN C    C 175.623 0.3  1 
      114  22  22 ASN CA   C  51.649 0.3  1 
      115  22  22 ASN CB   C  39.064 0.3  1 
      116  22  22 ASN N    N 114.530 0.3  1 
      117  22  22 ASN ND2  N 111.769 0.3  1 
      118  23  23 ASN H    H   7.109 0.03 1 
      119  23  23 ASN C    C 174.866 0.3  1 
      120  23  23 ASN CA   C  54.746 0.3  1 
      121  23  23 ASN CB   C  35.710 0.3  1 
      122  23  23 ASN N    N 113.107 0.3  1 
      123  24  24 GLY H    H   8.599 0.03 1 
      124  24  24 GLY C    C 170.885 0.3  1 
      125  24  24 GLY CA   C  44.946 0.3  1 
      126  24  24 GLY N    N 107.998 0.3  1 
      127  25  25 THR H    H   7.808 0.03 1 
      128  25  25 THR C    C 174.567 0.3  1 
      129  25  25 THR CA   C  61.419 0.3  1 
      130  25  25 THR CB   C  72.173 0.3  1 
      131  25  25 THR N    N 110.567 0.3  1 
      132  26  26 GLU H    H   8.761 0.03 1 
      133  26  26 GLU C    C 174.644 0.3  1 
      134  26  26 GLU CA   C  54.112 0.3  1 
      135  26  26 GLU CB   C  27.343 0.3  1 
      136  26  26 GLU N    N 128.340 0.3  1 
      137  28  28 PRO C    C 178.058 0.3  1 
      138  28  28 PRO CA   C  61.715 0.3  1 
      139  28  28 PRO CB   C  29.374 0.3  1 
      140  29  29 PHE H    H   8.171 0.03 1 
      141  29  29 PHE C    C 175.024 0.3  1 
      142  29  29 PHE CA   C  60.446 0.3  1 
      143  29  29 PHE CB   C  35.933 0.3  1 
      144  29  29 PHE N    N 114.356 0.3  1 
      145  30  30 GLN H    H   6.857 0.03 1 
      146  30  30 GLN C    C 174.014 0.3  1 
      147  30  30 GLN CA   C  53.942 0.3  1 
      148  30  30 GLN CB   C  28.203 0.3  1 
      149  30  30 GLN N    N 121.796 0.3  1 
      150  31  31 ASN H    H   7.404 0.03 1 
      151  31  31 ASN C    C 176.174 0.3  1 
      152  31  31 ASN CA   C  53.166 0.3  1 
      153  31  31 ASN CB   C  43.169 0.3  1 
      154  31  31 ASN N    N 113.654 0.3  1 
      155  32  32 GLU H    H   9.582 0.03 1 
      156  32  32 GLU C    C 179.238 0.3  1 
      157  32  32 GLU CA   C  60.990 0.3  1 
      158  32  32 GLU CB   C  30.009 0.3  1 
      159  32  32 GLU N    N 117.636 0.3  1 
      160  33  33 TYR H    H   8.869 0.03 1 
      161  33  33 TYR C    C 179.735 0.3  1 
      162  33  33 TYR CA   C  55.833 0.3  1 
      163  33  33 TYR CB   C  38.846 0.3  1 
      164  33  33 TYR N    N 108.478 0.3  1 
      165  34  34 TRP H    H   7.645 0.03 1 
      166  34  34 TRP HE1  H  10.004 0.03 1 
      167  34  34 TRP C    C 176.002 0.3  1 
      168  34  34 TRP CA   C  62.420 0.3  1 
      169  34  34 TRP CB   C  25.236 0.3  1 
      170  34  34 TRP N    N 123.131 0.3  1 
      171  34  34 TRP NE1  N 131.097 0.3  1 
      172  35  35 ASP H    H   7.073 0.03 1 
      173  35  35 ASP HD2  H   6.03  0.03 1 
      174  35  35 ASP C    C 175.680 0.3  1 
      175  35  35 ASP CA   C  51.736 0.3  1 
      176  35  35 ASP CB   C  37.341 0.3  1 
      177  35  35 ASP N    N 119.481 0.3  1 
      178  36  36 HIS H    H   6.730 0.03 1 
      179  36  36 HIS C    C 177.030 0.3  1 
      180  36  36 HIS CA   C  57.998 0.3  1 
      181  36  36 HIS CB   C  33.073 0.3  1 
      182  36  36 HIS N    N 121.379 0.3  1 
      183  37  37 LYS H    H   8.519 0.03 1 
      184  37  37 LYS C    C 176.716 0.3  1 
      185  37  37 LYS CA   C  55.616 0.3  1 
      186  37  37 LYS CB   C  32.717 0.3  1 
      187  37  37 LYS N    N 124.244 0.3  1 
      188  38  38 GLU H    H   5.264 0.03 1 
      189  38  38 GLU C    C 176.121 0.3  1 
      190  38  38 GLU CA   C  55.551 0.3  1 
      191  38  38 GLU CB   C  30.701 0.3  1 
      192  38  38 GLU N    N 116.911 0.3  1 
      193  39  39 GLU H    H   8.614 0.03 1 
      194  39  39 GLU C    C 178.676 0.3  1 
      195  39  39 GLU CA   C  56.299 0.3  1 
      196  39  39 GLU CB   C  30.665 0.3  1 
      197  39  39 GLU N    N 119.514 0.3  1 
      198  40  40 GLY H    H   9.365 0.03 1 
      199  40  40 GLY C    C 170.885 0.3  1 
      200  40  40 GLY CA   C  45.715 0.3  1 
      201  40  40 GLY N    N 112.230 0.3  1 
      202  41  41 LEU H    H   8.006 0.03 1 
      203  41  41 LEU HD1  H   0.221 0.03 1 
      204  41  41 LEU HD2  H   0.508 0.03 1 
      205  41  41 LEU C    C 174.152 0.3  1 
      206  41  41 LEU CA   C  52.597 0.3  1 
      207  41  41 LEU CB   C  46.981 0.3  1 
      208  41  41 LEU CD1  C  24.894 0.3  1 
      209  41  41 LEU CD2  C  24.185 0.3  1 
      210  41  41 LEU N    N 118.128 0.3  1 
      211  42  42 TYR H    H   8.963 0.03 1 
      212  42  42 TYR C    C 175.611 0.3  1 
      213  42  42 TYR CA   C  57.536 0.3  1 
      214  42  42 TYR CB   C  38.772 0.3  1 
      215  42  42 TYR N    N 118.398 0.3  1 
      216  43  43 VAL H    H   9.182 0.03 1 
      217  43  43 VAL HG1  H   0.078 0.03 1 
      218  43  43 VAL HG2  H   0.690 0.03 1 
      219  43  43 VAL C    C 174.646 0.3  1 
      220  43  43 VAL CA   C  57.528 0.3  1 
      221  43  43 VAL CB   C  33.187 0.3  1 
      222  43  43 VAL CG1  C  19.871 0.3  1 
      223  43  43 VAL CG2  C  18.189 0.3  1 
      224  43  43 VAL N    N 118.502 0.3  1 
      225  44  44 ASP H    H   8.579 0.03 1 
      226  44  44 ASP HD2  H   5.247 0.03 1 
      227  44  44 ASP C    C 179.496 0.3  1 
      228  44  44 ASP CA   C  55.145 0.3  1 
      229  44  44 ASP CB   C  43.968 0.3  1 
      230  44  44 ASP N    N 121.399 0.3  1 
      231  45  45 ILE H    H   8.445 0.03 1 
      232  45  45 ILE HD1  H   0.925 0.03 1 
      233  45  45 ILE C    C 174.469 0.3  1 
      234  45  45 ILE CA   C  62.061 0.3  1 
      235  45  45 ILE CB   C  38.959 0.3  1 
      236  45  45 ILE CD1  C  14.919 0.3  1 
      237  45  45 ILE N    N 130.541 0.3  1 
      238  46  46 VAL H    H   8.833 0.03 1 
      239  46  46 VAL HG1  H   0.917 0.03 1 
      240  46  46 VAL HG2  H   0.873 0.03 1 
      241  46  46 VAL C    C 177.004 0.3  1 
      242  46  46 VAL CA   C  65.297 0.3  1 
      243  46  46 VAL CB   C  31.792 0.3  1 
      244  46  46 VAL CG1  C  21.406 0.3  1 
      245  46  46 VAL CG2  C  22.872 0.3  1 
      246  46  46 VAL N    N 119.900 0.3  1 
      247  47  47 SER H    H   7.216 0.03 1 
      248  47  47 SER HG   H   6.016 0.03 1 
      249  47  47 SER C    C 176.581 0.3  1 
      250  47  47 SER CA   C  58.631 0.3  1 
      251  47  47 SER CB   C  65.376 0.3  1 
      252  47  47 SER N    N 108.079 0.3  1 
      253  48  48 GLY H    H   8.563 0.03 1 
      254  48  48 GLY C    C 175.221 0.3  1 
      255  48  48 GLY CA   C  45.222 0.3  1 
      256  48  48 GLY N    N 110.644 0.3  1 
      257  49  49 LYS H    H   7.852 0.03 1 
      258  49  49 LYS C    C 175.353 0.3  1 
      259  49  49 LYS CA   C  53.368 0.3  1 
      260  49  49 LYS CB   C  31.576 0.3  1 
      261  49  49 LYS N    N 121.046 0.3  1 
      262  50  50 PRO C    C 173.748 0.3  1 
      263  50  50 PRO CA   C  63.954 0.3  1 
      264  50  50 PRO CB   C  32.267 0.3  1 
      265  51  51 LEU H    H   8.049 0.03 1 
      266  51  51 LEU HD1  H   0.783 0.03 1 
      267  51  51 LEU HD2  H   0.626 0.03 1 
      268  51  51 LEU C    C 174.646 0.3  1 
      269  51  51 LEU CA   C  55.702 0.3  1 
      270  51  51 LEU CB   C  46.396 0.3  1 
      271  51  51 LEU CD1  C  27.216 0.3  1 
      272  51  51 LEU CD2  C  23.652 0.3  1 
      273  51  51 LEU N    N 119.096 0.3  1 
      274  52  52 PHE H    H   7.730 0.03 1 
      275  52  52 PHE C    C 175.648 0.3  1 
      276  52  52 PHE CA   C  55.977 0.3  1 
      277  52  52 PHE CB   C  45.549 0.3  1 
      278  52  52 PHE N    N 110.618 0.3  1 
      279  53  53 THR H    H   9.614 0.03 1 
      280  53  53 THR C    C 175.746 0.3  1 
      281  53  53 THR CA   C  60.059 0.3  1 
      282  53  53 THR CB   C  72.106 0.3  1 
      283  53  53 THR N    N 111.481 0.3  1 
      284  54  54 SER H    H   9.036 0.03 1 
      285  54  54 SER HG   H   5.068 0.03 1 
      286  54  54 SER C    C 177.917 0.3  1 
      287  54  54 SER CA   C  61.199 0.3  1 
      288  54  54 SER CB   C  63.216 0.3  1 
      289  54  54 SER N    N 113.904 0.3  1 
      290  55  55 LYS H    H   7.657 0.03 1 
      291  55  55 LYS C    C 177.645 0.3  1 
      292  55  55 LYS CA   C  57.927 0.3  1 
      293  55  55 LYS CB   C  31.108 0.3  1 
      294  55  55 LYS N    N 121.961 0.3  1 
      295  56  56 ASP H    H   7.366 0.03 1 
      296  56  56 ASP HD2  H   5.076 0.03 1 
      297  56  56 ASP C    C 174.659 0.3  1 
      298  56  56 ASP CA   C  53.962 0.3  1 
      299  56  56 ASP CB   C  41.919 0.3  1 
      300  56  56 ASP N    N 115.514 0.3  1 
      301  57  57 LYS H    H   7.483 0.03 1 
      302  57  57 LYS C    C 176.413 0.3  1 
      303  57  57 LYS CA   C  56.026 0.3  1 
      304  57  57 LYS CB   C  34.669 0.3  1 
      305  57  57 LYS N    N 124.781 0.3  1 
      306  58  58 PHE C    C 174.009 0.3  1 
      307  58  58 PHE CA   C  55.257 0.3  1 
      308  58  58 PHE CB   C  41.514 0.3  1 
      309  59  59 ASP H    H   8.731 0.03 1 
      310  59  59 ASP C    C 175.988 0.3  1 
      311  59  59 ASP CA   C  54.511 0.3  1 
      312  59  59 ASP CB   C  40.305 0.3  1 
      313  59  59 ASP N    N 120.973 0.3  1 
      314  60  60 SER H    H   8.052 0.03 1 
      315  60  60 SER CA   C  57.060 0.3  1 
      316  60  60 SER CB   C  64.489 0.3  1 
      317  60  60 SER N    N 117.298 0.3  1 
      318  61  61 GLN C    C 175.891 0.3  1 
      319  61  61 GLN CA   C  56.222 0.3  1 
      320  61  61 GLN CB   C  27.700 0.3  1 
      321  62  62 CYS H    H   7.941 0.03 1 
      322  62  62 CYS C    C 174.033 0.3  1 
      323  62  62 CYS CA   C  58.828 0.3  1 
      324  62  62 CYS CB   C  28.391 0.3  1 
      325  62  62 CYS N    N 114.513 0.3  1 
      326  63  63 GLY H    H   7.495 0.03 1 
      327  63  63 GLY C    C 173.220 0.3  1 
      328  63  63 GLY CA   C  44.070 0.3  1 
      329  63  63 GLY N    N 104.935 0.3  1 
      330  64  64 TRP H    H   7.752 0.03 1 
      331  64  64 TRP HE1  H   9.922 0.03 1 
      332  64  64 TRP C    C 174.253 0.3  1 
      333  64  64 TRP CA   C  58.594 0.3  1 
      334  64  64 TRP CB   C  29.968 0.3  1 
      335  64  64 TRP N    N 120.734 0.3  1 
      336  64  64 TRP NE1  N 131.756 0.3  1 
      337  65  65 PRO C    C 173.615 0.3  1 
      338  65  65 PRO CA   C  64.150 0.3  1 
      339  65  65 PRO CB   C  30.867 0.3  1 
      340  66  66 SER H    H   8.280 0.03 1 
      341  66  66 SER C    C 171.811 0.3  1 
      342  66  66 SER CA   C  56.906 0.3  1 
      343  66  66 SER CB   C  66.146 0.3  1 
      344  66  66 SER N    N 119.204 0.3  1 
      345  67  67 PHE H    H   8.581 0.03 1 
      346  67  67 PHE C    C 177.877 0.3  1 
      347  67  67 PHE CA   C  55.117 0.3  1 
      348  67  67 PHE CB   C  44.596 0.3  1 
      349  67  67 PHE N    N 117.688 0.3  1 
      350  68  68 THR H    H  10.033 0.03 1 
      351  68  68 THR C    C 175.121 0.3  1 
      352  68  68 THR CA   C  63.659 0.3  1 
      353  68  68 THR CB   C  69.738 0.3  1 
      354  68  68 THR N    N 113.764 0.3  1 
      355  69  69 LYS H    H   7.163 0.03 1 
      356  69  69 LYS C    C 172.966 0.3  1 
      357  69  69 LYS CA   C  54.196 0.3  1 
      358  69  69 LYS CB   C  32.284 0.3  1 
      359  69  69 LYS N    N 113.665 0.3  1 
      360  70  70 PRO C    C 176.861 0.3  1 
      361  70  70 PRO CA   C  60.948 0.3  1 
      362  70  70 PRO CB   C  32.414 0.3  1 
      363  71  71 ILE H    H   7.457 0.03 1 
      364  71  71 ILE HD1  H   0.394 0.03 1 
      365  71  71 ILE C    C 176.602 0.3  1 
      366  71  71 ILE CA   C  62.088 0.3  1 
      367  71  71 ILE CB   C  36.157 0.3  1 
      368  71  71 ILE CD1  C  13.214 0.3  1 
      369  71  71 ILE N    N 119.751 0.3  1 
      370  72  72 GLU H    H   8.237 0.03 1 
      371  72  72 GLU C    C 177.623 0.3  1 
      372  72  72 GLU CA   C  59.126 0.3  1 
      373  72  72 GLU CB   C  29.101 0.3  1 
      374  72  72 GLU N    N 125.983 0.3  1 
      375  73  73 GLU H    H   8.816 0.03 1 
      376  73  73 GLU C    C 177.013 0.3  1 
      377  73  73 GLU CA   C  58.202 0.3  1 
      378  73  73 GLU CB   C  28.395 0.3  1 
      379  73  73 GLU N    N 115.791 0.3  1 
      380  74  74 GLU H    H   7.567 0.03 1 
      381  74  74 GLU C    C 177.153 0.3  1 
      382  74  74 GLU CA   C  55.395 0.3  1 
      383  74  74 GLU CB   C  31.450 0.3  1 
      384  74  74 GLU N    N 116.051 0.3  1 
      385  75  75 VAL H    H   7.751 0.03 1 
      386  75  75 VAL HG1  H   0.620 0.03 1 
      387  75  75 VAL HG2  H   0.522 0.03 1 
      388  75  75 VAL C    C 174.229 0.3  1 
      389  75  75 VAL CA   C  61.247 0.3  1 
      390  75  75 VAL CB   C  33.856 0.3  1 
      391  75  75 VAL CG1  C  21.547 0.3  1 
      392  75  75 VAL CG2  C  21.035 0.3  1 
      393  75  75 VAL N    N 117.355 0.3  1 
      394  76  76 GLU H    H   9.183 0.03 1 
      395  76  76 GLU C    C 174.868 0.3  1 
      396  76  76 GLU CA   C  54.572 0.3  1 
      397  76  76 GLU CB   C  33.252 0.3  1 
      398  76  76 GLU N    N 124.869 0.3  1 
      399  77  77 GLU H    H   8.460 0.03 1 
      400  77  77 GLU C    C 177.136 0.3  1 
      401  77  77 GLU CA   C  54.544 0.3  1 
      402  77  77 GLU CB   C  30.957 0.3  1 
      403  77  77 GLU N    N 122.305 0.3  1 
      404  78  78 LYS H    H   8.978 0.03 1 
      405  78  78 LYS C    C 174.989 0.3  1 
      406  78  78 LYS CA   C  54.766 0.3  1 
      407  78  78 LYS CB   C  35.736 0.3  1 
      408  78  78 LYS N    N 121.900 0.3  1 
      409  79  79 LEU H    H   8.599 0.03 1 
      410  79  79 LEU HD1  H   0.910 0.03 1 
      411  79  79 LEU HD2  H   0.872 0.03 1 
      412  79  79 LEU C    C 176.805 0.3  1 
      413  79  79 LEU CA   C  56.787 0.3  1 
      414  79  79 LEU CB   C  41.773 0.3  1 
      415  79  79 LEU CD1  C  23.503 0.3  1 
      416  79  79 LEU CD2  C  25.142 0.3  1 
      417  79  79 LEU N    N 125.421 0.3  1 
      418  80  80 ASP H    H   9.324 0.03 1 
      419  80  80 ASP C    C 177.625 0.3  1 
      420  80  80 ASP CA   C  52.858 0.3  1 
      421  80  80 ASP CB   C  43.370 0.3  1 
      422  80  80 ASP N    N 126.969 0.3  1 
      423  81  81 THR H    H   8.940 0.03 1 
      424  81  81 THR C    C 175.781 0.3  1 
      425  81  81 THR CA   C  60.869 0.3  1 
      426  81  81 THR CB   C  68.144 0.3  1 
      427  81  81 THR N    N 118.776 0.3  1 
      428  82  82 SER H    H   8.414 0.03 1 
      429  82  82 SER C    C 176.053 0.3  1 
      430  82  82 SER CA   C  59.661 0.3  1 
      431  82  82 SER CB   C  64.081 0.3  1 
      432  82  82 SER N    N 118.468 0.3  1 
      433  83  83 HIS H    H   8.962 0.03 1 
      434  83  83 HIS C    C 175.357 0.3  1 
      435  83  83 HIS CA   C  57.056 0.3  1 
      436  83  83 HIS CB   C  26.710 0.3  1 
      437  83  83 HIS N    N 113.558 0.3  1 
      438  84  84 GLY H    H   8.658 0.03 1 
      439  84  84 GLY C    C 174.579 0.3  1 
      440  84  84 GLY CA   C  46.358 0.3  1 
      441  84  84 GLY N    N 105.121 0.3  1 
      442  85  85 MET H    H   7.344 0.03 1 
      443  85  85 MET C    C 174.137 0.3  1 
      444  85  85 MET CA   C  54.285 0.3  1 
      445  85  85 MET CB   C  36.471 0.3  1 
      446  85  85 MET N    N 118.276 0.3  1 
      447  86  86 ILE H    H   8.116 0.03 1 
      448  86  86 ILE HD1  H   0.824 0.03 1 
      449  86  86 ILE C    C 176.324 0.3  1 
      450  86  86 ILE CA   C  61.401 0.3  1 
      451  86  86 ILE CB   C  37.623 0.3  1 
      452  86  86 ILE CD1  C  12.514 0.3  1 
      453  86  86 ILE N    N 119.074 0.3  1 
      454  87  87 ARG H    H   8.769 0.03 1 
      455  87  87 ARG C    C 175.026 0.3  1 
      456  87  87 ARG CA   C  54.167 0.3  1 
      457  87  87 ARG CB   C  36.773 0.3  1 
      458  87  87 ARG N    N 125.482 0.3  1 
      459  88  88 THR H    H   9.454 0.03 1 
      460  88  88 THR C    C 174.505 0.3  1 
      461  88  88 THR CA   C  62.343 0.3  1 
      462  88  88 THR CB   C  68.795 0.3  1 
      463  88  88 THR N    N 119.400 0.3  1 
      464  89  89 GLU H    H   9.403 0.03 1 
      465  89  89 GLU C    C 175.232 0.3  1 
      466  89  89 GLU CA   C  54.995 0.3  1 
      467  89  89 GLU CB   C  30.782 0.3  1 
      468  89  89 GLU N    N 129.345 0.3  1 
      469  90  90 VAL H    H   8.092 0.03 1 
      470  90  90 VAL HG1  H   0.896 0.03 1 
      471  90  90 VAL HG2  H   0.684 0.03 1 
      472  90  90 VAL C    C 175.262 0.3  1 
      473  90  90 VAL CA   C  59.754 0.3  1 
      474  90  90 VAL CB   C  33.535 0.3  1 
      475  90  90 VAL CG1  C  22.902 0.3  1 
      476  90  90 VAL CG2  C  20.838 0.3  1 
      477  90  90 VAL N    N 120.774 0.3  1 
      478  91  91 ARG H    H   8.992 0.03 1 
      479  91  91 ARG C    C 175.940 0.3  1 
      480  91  91 ARG CA   C  54.373 0.3  1 
      481  91  91 ARG CB   C  34.432 0.3  1 
      482  91  91 ARG N    N 124.252 0.3  1 
      483  92  92 SER H    H   9.084 0.03 1 
      484  92  92 SER C    C 176.108 0.3  1 
      485  92  92 SER CA   C  55.537 0.3  1 
      486  92  92 SER CB   C  66.148 0.3  1 
      487  92  92 SER N    N 114.907 0.3  1 
      488  93  93 ARG H    H   8.710 0.03 1 
      489  93  93 ARG C    C 178.901 0.3  1 
      490  93  93 ARG CA   C  59.584 0.3  1 
      491  93  93 ARG CB   C  30.582 0.3  1 
      492  93  93 ARG N    N 123.415 0.3  1 
      493  94  94 THR H    H   9.276 0.03 1 
      494  94  94 THR C    C 176.597 0.3  1 
      495  94  94 THR CA   C  67.493 0.3  1 
      496  94  94 THR CB   C  67.498 0.3  1 
      497  94  94 THR N    N 116.046 0.3  1 
      498  95  95 ALA H    H   7.883 0.03 1 
      499  95  95 ALA C    C 177.644 0.3  1 
      500  95  95 ALA CA   C  52.223 0.3  1 
      501  95  95 ALA CB   C  19.119 0.3  1 
      502  95  95 ALA N    N 118.652 0.3  1 
      503  96  96 ASP H    H   7.364 0.03 1 
      504  96  96 ASP C    C 177.012 0.3  1 
      505  96  96 ASP CA   C  55.088 0.3  1 
      506  96  96 ASP CB   C  39.355 0.3  1 
      507  96  96 ASP N    N 119.283 0.3  1 
      508  97  97 SER H    H   7.910 0.03 1 
      509  97  97 SER C    C 176.732 0.3  1 
      510  97  97 SER CA   C  57.243 0.3  1 
      511  97  97 SER CB   C  63.888 0.3  1 
      512  97  97 SER N    N 112.775 0.3  1 
      513  98  98 HIS H    H   8.982 0.03 1 
      514  98  98 HIS C    C 173.318 0.3  1 
      515  98  98 HIS CA   C  58.796 0.3  1 
      516  98  98 HIS CB   C  27.059 0.3  1 
      517  98  98 HIS N    N 123.147 0.3  1 
      518  99  99 LEU H    H   7.725 0.03 1 
      519  99  99 LEU HD1  H   0.723 0.03 1 
      520  99  99 LEU HD2  H   0.689 0.03 1 
      521  99  99 LEU C    C 178.432 0.3  1 
      522  99  99 LEU CA   C  54.372 0.3  1 
      523  99  99 LEU CB   C  42.863 0.3  1 
      524  99  99 LEU CD1  C  27.274 0.3  1 
      525  99  99 LEU CD2  C  23.617 0.3  1 
      526  99  99 LEU N    N 119.488 0.3  1 
      527 100 100 GLY H    H   6.644 0.03 1 
      528 100 100 GLY C    C 171.782 0.3  1 
      529 100 100 GLY CA   C  45.881 0.3  1 
      530 100 100 GLY N    N 103.743 0.3  1 
      531 101 101 HIS H    H   8.540 0.03 1 
      532 101 101 HIS C    C 172.674 0.3  1 
      533 101 101 HIS CA   C  57.162 0.3  1 
      534 101 101 HIS CB   C  36.401 0.3  1 
      535 101 101 HIS N    N 121.562 0.3  1 
      536 102 102 VAL H    H   8.232 0.03 1 
      537 102 102 VAL HG1  H   0.464 0.03 1 
      538 102 102 VAL HG2  H   0.068 0.03 1 
      539 102 102 VAL C    C 174.049 0.3  1 
      540 102 102 VAL CA   C  58.591 0.3  1 
      541 102 102 VAL CB   C  34.440 0.3  1 
      542 102 102 VAL CG1  C  19.089 0.3  1 
      543 102 102 VAL CG2  C  21.461 0.3  1 
      544 102 102 VAL N    N 118.042 0.3  1 
      545 103 103 PHE H    H   9.039 0.03 1 
      546 103 103 PHE C    C 175.858 0.3  1 
      547 103 103 PHE CA   C  56.542 0.3  1 
      548 103 103 PHE CB   C  43.079 0.3  1 
      549 103 103 PHE N    N 127.305 0.3  1 
      550 104 104 ASN H    H   8.860 0.03 1 
      551 104 104 ASN HD21 H   7.562 0.03 1 
      552 104 104 ASN HD22 H   6.892 0.03 1 
      553 104 104 ASN C    C 175.567 0.3  1 
      554 104 104 ASN CA   C  53.002 0.3  1 
      555 104 104 ASN CB   C  37.868 0.3  1 
      556 104 104 ASN N    N 120.389 0.3  1 
      557 104 104 ASN ND2  N 111.892 0.3  1 
      558 105 105 ASP H    H   7.752 0.03 1 
      559 105 105 ASP C    C 178.367 0.3  1 
      560 105 105 ASP CA   C  52.796 0.3  1 
      561 105 105 ASP CB   C  40.242 0.3  1 
      562 105 105 ASP N    N 119.216 0.3  1 
      563 106 106 GLY H    H   8.085 0.03 1 
      564 106 106 GLY C    C 172.808 0.3  1 
      565 106 106 GLY CA   C  44.252 0.3  1 
      566 106 106 GLY N    N 106.608 0.3  1 
      567 107 107 PRO C    C 178.142 0.3  1 
      568 107 107 PRO CA   C  63.574 0.3  1 
      569 107 107 PRO CB   C  31.937 0.3  1 
      570 108 108 GLY H    H   8.529 0.03 1 
      571 108 108 GLY C    C 173.822 0.3  1 
      572 108 108 GLY CA   C  44.660 0.3  1 
      573 108 108 GLY N    N 109.440 0.3  1 
      574 109 109 PRO C    C 178.404 0.3  1 
      575 109 109 PRO CA   C  65.031 0.3  1 
      576 109 109 PRO CB   C  31.076 0.3  1 
      577 110 110 ASN H    H   8.376 0.03 1 
      578 110 110 ASN HD21 H   7.989 0.03 1 
      579 110 110 ASN HD22 H   7.650 0.03 1 
      580 110 110 ASN C    C 177.091 0.3  1 
      581 110 110 ASN CA   C  53.382 0.3  1 
      582 110 110 ASN CB   C  37.583 0.3  1 
      583 110 110 ASN N    N 114.029 0.3  1 
      584 110 110 ASN ND2  N 113.554 0.3  1 
      585 111 111 GLY H    H   7.846 0.03 1 
      586 111 111 GLY C    C 174.828 0.3  1 
      587 111 111 GLY CA   C  46.308 0.3  1 
      588 111 111 GLY N    N 107.817 0.3  1 
      589 112 112 LEU H    H   7.467 0.03 1 
      590 112 112 LEU HD1  H   1.042 0.03 1 
      591 112 112 LEU HD2  H   0.704 0.03 1 
      592 112 112 LEU C    C 177.321 0.3  1 
      593 112 112 LEU CA   C  54.906 0.3  1 
      594 112 112 LEU CB   C  43.302 0.3  1 
      595 112 112 LEU CD1  C  25.895 0.3  1 
      596 112 112 LEU CD2  C  22.375 0.3  1 
      597 112 112 LEU N    N 119.202 0.3  1 
      598 113 113 ARG H    H   8.822 0.03 1 
      599 113 113 ARG C    C 174.933 0.3  1 
      600 113 113 ARG CA   C  55.520 0.3  1 
      601 113 113 ARG CB   C  33.980 0.3  1 
      602 113 113 ARG N    N 120.234 0.3  1 
      603 114 114 TYR H    H  10.082 0.03 1 
      604 114 114 TYR C    C 174.411 0.3  1 
      605 114 114 TYR CA   C  58.947 0.3  1 
      606 114 114 TYR CB   C  37.512 0.3  1 
      607 114 114 TYR N    N 128.259 0.3  1 
      608 115 115 CYS H    H   9.387 0.03 1 
      609 115 115 CYS C    C 172.672 0.3  1 
      610 115 115 CYS CA   C  58.726 0.3  1 
      611 115 115 CYS CB   C  27.494 0.3  1 
      612 115 115 CYS N    N 129.674 0.3  1 
      613 116 116 ILE H    H   8.581 0.03 1 
      614 116 116 ILE HD1  H   0.422 0.03 1 
      615 116 116 ILE C    C 173.526 0.3  1 
      616 116 116 ILE CA   C  56.588 0.3  1 
      617 116 116 ILE CB   C  38.191 0.3  1 
      618 116 116 ILE CD1  C   9.438 0.3  1 
      619 116 116 ILE N    N 129.865 0.3  1 
      620 117 117 ASN H    H   7.577 0.03 1 
      621 117 117 ASN HD21 H   7.808 0.03 1 
      622 117 117 ASN HD22 H   6.676 0.03 1 
      623 117 117 ASN C    C 176.940 0.3  1 
      624 117 117 ASN CA   C  53.848 0.3  1 
      625 117 117 ASN CB   C  42.625 0.3  1 
      626 117 117 ASN N    N 119.365 0.3  1 
      627 117 117 ASN ND2  N 115.667 0.3  1 
      628 118 118 SER H    H  13.130 0.03 1 
      629 118 118 SER HG   H   6.023 0.03 1 
      630 118 118 SER C    C 178.450 0.3  1 
      631 118 118 SER CA   C  64.023 0.3  1 
      632 118 118 SER CB   C  63.218 0.3  1 
      633 118 118 SER N    N 128.600 0.3  1 
      634 119 119 ALA H    H  10.078 0.03 1 
      635 119 119 ALA C    C 176.110 0.3  1 
      636 119 119 ALA CA   C  52.942 0.3  1 
      637 119 119 ALA CB   C  19.016 0.3  1 
      638 119 119 ALA N    N 121.228 0.3  1 
      639 120 120 ALA H    H   7.355 0.03 1 
      640 120 120 ALA C    C 177.522 0.3  1 
      641 120 120 ALA CA   C  51.672 0.3  1 
      642 120 120 ALA CB   C  20.039 0.3  1 
      643 120 120 ALA N    N 113.071 0.3  1 
      644 121 121 LEU H    H   8.288 0.03 1 
      645 121 121 LEU HD1  H   0.626 0.03 1 
      646 121 121 LEU HD2  H   0.707 0.03 1 
      647 121 121 LEU C    C 175.992 0.3  1 
      648 121 121 LEU CA   C  53.258 0.3  1 
      649 121 121 LEU CB   C  47.105 0.3  1 
      650 121 121 LEU CD1  C  24.199 0.3  1 
      651 121 121 LEU CD2  C  22.760 0.3  1 
      652 121 121 LEU N    N 117.341 0.3  1 
      653 122 122 ARG H    H   8.921 0.03 1 
      654 122 122 ARG C    C 175.500 0.3  1 
      655 122 122 ARG CA   C  55.367 0.3  1 
      656 122 122 ARG CB   C  33.419 0.3  1 
      657 122 122 ARG N    N 118.495 0.3  1 
      658 123 123 PHE H    H   7.902 0.03 1 
      659 123 123 PHE C    C 174.552 0.3  1 
      660 123 123 PHE CA   C  56.832 0.3  1 
      661 123 123 PHE CB   C  39.456 0.3  1 
      662 123 123 PHE N    N 125.341 0.3  1 
      663 124 124 VAL H    H   8.509 0.03 1 
      664 124 124 VAL HG1  H   0.561 0.03 1 
      665 124 124 VAL HG2  H   0.518 0.03 1 
      666 124 124 VAL C    C 172.344 0.3  1 
      667 124 124 VAL CA   C  58.367 0.3  1 
      668 124 124 VAL CB   C  33.304 0.3  1 
      669 124 124 VAL CG1  C  20.915 0.3  1 
      670 124 124 VAL CG2  C  20.079 0.3  1 
      671 124 124 VAL N    N 130.815 0.3  1 
      672 125 125 PRO C    C 178.254 0.3  1 
      673 125 125 PRO CA   C  61.983 0.3  1 
      674 125 125 PRO CB   C  32.481 0.3  1 
      675 126 126 LYS H    H   7.994 0.03 1 
      676 126 126 LYS C    C 178.153 0.3  1 
      677 126 126 LYS CA   C  59.329 0.3  1 
      678 126 126 LYS CB   C  31.873 0.3  1 
      679 126 126 LYS N    N 120.479 0.3  1 
      680 127 127 HIS H    H   8.279 0.03 1 
      681 127 127 HIS C    C 176.059 0.3  1 
      682 127 127 HIS CA   C  58.458 0.3  1 
      683 127 127 HIS CB   C  29.055 0.3  1 
      684 127 127 HIS N    N 112.935 0.3  1 
      685 128 128 LYS H    H   7.531 0.03 1 
      686 128 128 LYS C    C 176.618 0.3  1 
      687 128 128 LYS CA   C  54.802 0.3  1 
      688 128 128 LYS CB   C  33.001 0.3  1 
      689 128 128 LYS N    N 118.910 0.3  1 
      690 129 129 LEU H    H   7.172 0.03 1 
      691 129 129 LEU HD1  H   0.676 0.03 1 
      692 129 129 LEU HD2  H   0.431 0.03 1 
      693 129 129 LEU C    C 179.543 0.3  1 
      694 129 129 LEU CA   C  59.107 0.3  1 
      695 129 129 LEU CB   C  39.846 0.3  1 
      696 129 129 LEU CD1  C  26.421 0.3  1 
      697 129 129 LEU CD2  C  22.392 0.3  1 
      698 129 129 LEU N    N 118.095 0.3  1 
      699 130 130 LYS H    H   8.894 0.03 1 
      700 130 130 LYS C    C 180.595 0.3  1 
      701 130 130 LYS CA   C  60.457 0.3  1 
      702 130 130 LYS CB   C  31.196 0.3  1 
      703 130 130 LYS N    N 118.234 0.3  1 
      704 131 131 GLU H    H   8.689 0.03 1 
      705 131 131 GLU C    C 178.231 0.3  1 
      706 131 131 GLU CA   C  58.979 0.3  1 
      707 131 131 GLU CB   C  29.163 0.3  1 
      708 131 131 GLU N    N 121.001 0.3  1 
      709 132 132 GLU H    H   7.645 0.03 1 
      710 132 132 GLU C    C 175.744 0.3  1 
      711 132 132 GLU CA   C  57.237 0.3  1 
      712 132 132 GLU CB   C  29.566 0.3  1 
      713 132 132 GLU N    N 115.139 0.3  1 
      714 133 133 GLY H    H   7.420 0.03 1 
      715 133 133 GLY C    C 176.342 0.3  1 
      716 133 133 GLY CA   C  46.039 0.3  1 
      717 133 133 GLY N    N 104.601 0.3  1 
      718 134 134 TYR H    H   8.615 0.03 1 
      719 134 134 TYR C    C 177.568 0.3  1 
      720 134 134 TYR CA   C  56.352 0.3  1 
      721 134 134 TYR CB   C  38.812 0.3  1 
      722 134 134 TYR N    N 118.915 0.3  1 
      723 135 135 GLU H    H   9.075 0.03 1 
      724 135 135 GLU C    C 178.921 0.3  1 
      725 135 135 GLU CA   C  60.265 0.3  1 
      726 135 135 GLU CB   C  28.834 0.3  1 
      727 135 135 GLU N    N 122.315 0.3  1 
      728 136 136 SER H    H   8.939 0.03 1 
      729 136 136 SER C    C 174.749 0.3  1 
      730 136 136 SER CA   C  60.879 0.3  1 
      731 136 136 SER CB   C  62.352 0.3  1 
      732 136 136 SER N    N 114.413 0.3  1 
      733 137 137 TYR H    H   8.124 0.03 1 
      734 137 137 TYR C    C 177.007 0.3  1 
      735 137 137 TYR CA   C  59.407 0.3  1 
      736 137 137 TYR CB   C  38.880 0.3  1 
      737 137 137 TYR N    N 117.221 0.3  1 
      738 138 138 LEU H    H   7.787 0.03 1 
      739 138 138 LEU HD1  H   1.082 0.03 1 
      740 138 138 LEU HD2  H   1.000 0.03 1 
      741 138 138 LEU C    C 180.047 0.3  1 
      742 138 138 LEU CA   C  58.700 0.3  1 
      743 138 138 LEU CB   C  41.367 0.3  1 
      744 138 138 LEU CD1  C  25.110 0.3  1 
      745 138 138 LEU CD2  C  24.503 0.3  1 
      746 138 138 LEU N    N 120.874 0.3  1 
      747 139 139 HIS C    C 176.927 0.3  1 
      748 139 139 HIS CA   C  58.189 0.3  1 
      749 139 139 HIS CB   C  29.082 0.3  1 
      750 140 140 LEU H    H   6.910 0.03 1 
      751 140 140 LEU HD1  H   0.859 0.03 1 
      752 140 140 LEU HD2  H   0.676 0.03 1 
      753 140 140 LEU C    C 177.733 0.3  1 
      754 140 140 LEU CA   C  56.221 0.3  1 
      755 140 140 LEU CB   C  40.755 0.3  1 
      756 140 140 LEU CD1  C  25.825 0.3  1 
      757 140 140 LEU CD2  C  22.347 0.3  1 
      758 140 140 LEU N    N 119.022 0.3  1 
      759 141 141 PHE H    H   7.614 0.03 1 
      760 141 141 PHE C    C 175.601 0.3  1 
      761 141 141 PHE CA   C  57.822 0.3  1 
      762 141 141 PHE CB   C  39.219 0.3  1 
      763 141 141 PHE N    N 114.054 0.3  1 
      764 142 142 ASN H    H   7.617 0.03 1 
      765 142 142 ASN HD21 H   7.717 0.03 1 
      766 142 142 ASN HD22 H   7.018 0.03 1 
      767 142 142 ASN C    C 175.658 0.3  1 
      768 142 142 ASN CA   C  53.231 0.3  1 
      769 142 142 ASN CB   C  39.108 0.3  1 
      770 142 142 ASN N    N 118.916 0.3  1 
      771 142 142 ASN ND2  N 112.131 0.3  1 
      772 143 143 LYS H    H   8.441 0.03 1 
      773 143 143 LYS C    C 176.903 0.3  1 
      774 143 143 LYS CA   C  56.552 0.3  1 
      775 143 143 LYS CB   C  32.554 0.3  1 
      776 143 143 LYS N    N 122.183 0.3  1 
      777 144 144 LEU H    H   8.361 0.03 1 
      778 144 144 LEU HD1  H   0.904 0.03 1 
      779 144 144 LEU HD2  H   0.842 0.03 1 
      780 144 144 LEU C    C 177.688 0.3  1 
      781 144 144 LEU CA   C  55.187 0.3  1 
      782 144 144 LEU CB   C  41.718 0.3  1 
      783 144 144 LEU CD1  C  24.758 0.3  1 
      784 144 144 LEU CD2  C  23.435 0.3  1 
      785 144 144 LEU N    N 123.740 0.3  1 
      786 145 145 GLU H    H   8.399 0.03 1 
      787 145 145 GLU C    C 176.575 0.3  1 
      788 145 145 GLU CA   C  56.365 0.3  1 
      789 145 145 GLU CB   C  30.070 0.3  1 
      790 145 145 GLU N    N 121.927 0.3  1 

   stop_

save_


save_C13_noesy
   _Saveframe_category              spectral_peak_list

   _Details                         .
   _Experiment_label               '3D 1H-13C NOESY'
   _Number_of_spectral_dimensions   3

   loop_
      _Expt_dimension_ID
      _Atom_type
      _Spectral_region

      1 H 'all H' 
      2 C  methyl 
      3 H  methyl 

   stop_

   _Sample_label                   $SR10.026
   _Sample_conditions_label        $sample_conditions_1
   _Text_data_format                text
   _Text_data                      
;
      Assignment         w1         w2         w3   Data Height     Note    

            ?-?-?      8.986     22.950      0.892       655910 K78H-V90CG1-V90HG1/R91H-V90CG1-V90HG1(QU=0.592)

            ?-?-?      8.448     22.849      0.872       164276 I45H-V46CG2-V46HG2/E77H-V90CG1-V90HG1(QU=0.232)

            ?-?-?      8.340     22.812      0.871       252856 
            ?-?-?      7.582     22.783      0.884       114839 
            ?-?-?      6.653     22.830      0.889       260179 
            ?-?-?      5.257     22.815      0.866       173798 
            ?-?-?      8.990     21.010      0.526       127740 
            ?-?-?      0.892     21.055      0.524       728082 
            ?-?-?      0.616     21.014      0.525      2936928 L51HD2-V75CG2-V75HG2/V75HG1-V75CG2-V75HG2(QU=0.997)

            ?-?-?      0.453     20.854      0.683      1654225 V102HG1-V90CG2-V90HG2/I116HD1-V90CG2-V90HG2(QU=0.697)

            ?-?-?      8.926     20.104      0.518       155301 Y42H-V124CG2-V124HG2/R122H-V124CG2-V124HG2(QU=0.993)

            ?-?-?      8.629     20.643      0.950       355162 V19H-V19CG1-V19HG1/G24H-V19CG1-V19HG1(QU=0.722)

            ?-?-?      0.682     20.718      0.951       116366 
            ?-?-?      7.211     21.434      0.914       262793 N13HD22-V46CG1-V46HG1/S47H-V46CG1-V46HG1(QU=0.645)

            ?-?-?      1.114     21.318      0.914       126604 
            ?-?-?      9.442     19.055      0.465       121547 T88H-V102CG1-V102HG1/E89H-V102CG1-V102HG1(QU=0.562)

            ?-?-?      0.345     19.088      0.463       140545 
            ?-?-?      1.019     13.749      0.818       103108 
            ?-?-?      8.852     21.607      0.743       305599 N13H-L12CD2-L12HD2/V46H-L12CD2-L12HD2(QU=0.910)

            ?-?-?      7.593     21.657      0.741       124465 K10H-L12CD2-L12HD2/S11H-L12CD2-L12HD2(QU=0.600)

            ?-?-?      1.004     24.289      0.509       128694 
            ?-?-?      0.860     24.168      0.511       856118 
            ?-?-?      9.187     23.795      0.626       124260 
            ?-?-?      7.740     23.749      0.626       206060 F52H-L51CD2-L51HD2/V75H-L51CD2-L51HD2(QU=0.822)

            ?-?-?      8.832     22.266      0.702       183661 N104H-L112CD2-L112HD2/R113H-L112CD2-L112HD2(QU=0.941)

            ?-?-?      0.703     22.534      0.700     18383068 L112HD2-L112CD2-L112HD2/L121HD2-L121CD2-L121HD2/L140HD2-L140CD2-L140HD2(QU=0.397)

            ?-?-?      0.679     22.373      0.683     18696942 L112HD2-L112CD2-L112HD2/L140HD2-L140CD2-L140HD2(QU=0.987)

            ?-?-?      0.468     22.397      0.705       717392 
            ?-?-?      0.217     22.352      0.674        94546 
            ?-?-?      8.545      9.346      0.422       249649 H101H-I116CD1-I116HD1/I116H-I116CD1-I116HD1(QU=0.543)

            ?-?-?      1.003     22.424      0.431       405620 
            ?-?-?      0.873     22.440      0.432       118799 
            ?-?-?      0.689     25.452      1.079       895632 
            ?-?-?      8.848     26.126      0.824       100300 N13H-L12CD1-L12HD1/Q16H-L12CD1-L12HD1/V46H-L12CD1-L12HD1(QU=0.851)

            ?-?-?      8.631     26.133      0.826       123709 
            ?-?-?      8.340     26.091      0.819       107242 N13HD21-L12CD1-L12HD1/R14H-L12CD1-L12HD1/M15H-L12CD1-L12HD1(QU=0.736)

            ?-?-?      7.718     26.041      0.828       110808 
            ?-?-?      1.006     24.904      0.220       164201 
            ?-?-?      7.728     27.308      0.782        95101 F52H-L51CD1-L51HD1/L99H-L51CD1-L51HD1(QU=0.554)

            ?-?-?      0.675     27.265      0.782      2657588 L99HD2-L51CD1-L51HD1/L121HD2-L51CD1-L51HD1(QU=0.261)

            ?-?-?      7.735     27.330      0.721       133732 V75H-L99CD1-L99HD1/L99H-L99CD1-L99HD1(QU=0.977)

            ?-?-?      8.066     22.759      0.708       104300 
            ?-?-?      8.004     26.488      0.675       216907 L41H-L129CD1-L129HD1/K126H-L129CD1-L129HD1(QU=0.972)

            ?-?-?      0.876     26.539      0.679       225751 
            ?-?-?      7.618     24.434      1.005        90123 
            ?-?-?      0.676     24.539      0.999      1944934 
            ?-?-?      0.546     24.555      0.999       171104 
            ?-?-?      0.434     24.543      0.999       478123 
            ?-?-?      0.223     24.526      0.998       130591 
            ?-?-?      1.630     24.757      0.911       141062 
            ?-?-?      1.321     24.834      0.906       165890 
            ?-?-?      1.142     20.799      1.141      1057026 
            ?-?-?      0.868     20.714      1.142       145261 
            ?-?-?      8.642     21.406      0.923       123199 
            ?-?-?      0.698     21.125      0.524      1286253 L99HD1-V75CG2-V75HG2/L99HD2-V75CG2-V75HG2(QU=0.927)

            ?-?-?      0.709     21.125      0.622      1582894 
            ?-?-?      8.968     19.089      0.466       217678 
            ?-?-?      1.077     25.825      0.859       181121 
            ?-?-?      0.876     22.683      0.886     16681174 V19HG2-V19CG2-V19HG2/V46HG2-V46CG2-V46HG2/V90HG1-V90CG1-V90HG1(QU=0.618)

            ?-?-?      0.948     22.683      0.888      8748704 V19HG1-V19CG2-V19HG2/V46HG1-V46CG2-V46HG2(QU=0.476)

            ?-?-?      0.882     22.872      0.873     13141351 V19HG2-V19CG2-V19HG2/V46HG2-V46CG2-V46HG2/V90HG1-V90CG1-V90HG1(QU=0.696)

            ?-?-?      0.875     23.652      0.625       620829 
            ?-?-?      1.012     23.652      0.629        98650 
            ?-?-?      0.906     22.902      0.894     16092421 V19HG2-V19CG2-V19HG2/V46HG2-V46CG2-V46HG2/V90HG1-V90CG1-V90HG1(QU=0.987)

            ?-?-?      0.870     23.617      0.694       615823 
            ?-?-?      9.183     20.915      0.560       111805 
            ?-?-?      8.988     23.503      0.908       225987 
      I9H-CD1-HD1      8.645     13.798      0.821       125291 
    I9HD1-CD1-HD1      0.821     13.785      0.819      8880760 
     L12H-CD1-HD1      7.256     26.137      0.823        98619 
     L12H-CD2-HD2      7.282     21.613      0.744       251267 
   L12HD1-CD1-HD1      0.814     26.010      0.824      3212213 
   L12HD2-CD1-HD1      0.752     26.010      0.824      1508773 
   L12HD2-CD2-HD2      0.744     21.618      0.742      8613435 
L12HD2-I45CD1-HD1      0.741     14.859      0.923       687418 
N13HD21-I9CD1-HD1      8.342     13.788      0.820       160897 
N13HD21-V46CG1-HG1      8.341     21.423      0.914       121837 
N13HD22-I9CD1-HD1      7.206     13.757      0.818       178957 
N13HD22-L12CD1-HD1      7.204     26.081      0.822       151998 
N13HD22-L12CD2-HD2      7.211     21.585      0.743       120951 
Q16HE21-I45CD1-HD1      6.787     14.846      0.924       611182 
Q16HE22-I45CD1-HD1      7.860     14.859      0.924       595664 
     V19H-CG2-HG2      8.633     22.657      0.884       948973 
   V19HG1-CG1-HG1      0.936     20.733      0.949      8621797 
  T20H-V19CG1-HG1      7.722     20.624      0.951       195044 
  T20H-V19CG2-HG2      7.728     22.763      0.885       422271 
  T25H-V19CG2-HG2      7.801     22.560      0.886       294645 
  E26H-V19CG1-HG1      8.762     20.616      0.949       146111 
  E26H-V19CG2-HG2      8.772     22.694      0.883       488289 
     L41H-CD1-HD1      8.012     24.945      0.219       237213 
     L41H-CD2-HD2      8.016     24.191      0.511       235817 
 L41H-V124CG1-HG1      8.004     20.934      0.563       196027 
 L41H-V124CG2-HG2      8.009     20.071      0.519       229982 
 L41H-L129CD2-HD2      8.006     22.410      0.432       481634 
   L41HD1-CD1-HD1      0.220     24.941      0.220      8535243 
   L41HD1-CD2-HD2      0.221     24.210      0.510      3413908 
L41HD1-V43CG1-HG1      0.215     19.850      0.077       581947 
L41HD1-V43CG2-HG2      0.217     18.159      0.689       169653 
L41HD1-I71CD1-HD1      0.220     13.144      0.395       555877 
L41HD1-V124CG1-HG1      0.222     20.919      0.563       277533 
L41HD1-V124CG2-HG2      0.219     20.095      0.518       238970 
L41HD1-L129CD1-HD1      0.221     26.508      0.676       623444 
L41HD1-L129CD2-HD2      0.222     22.416      0.431      1251712 
L41HD1-L140CD1-HD1      0.221     25.943      0.857       168109 
   L41HD2-CD1-HD1      0.509     24.936      0.220      3363112 
   L41HD2-CD2-HD2      0.511     24.208      0.510     11989622 
L41HD2-I71CD1-HD1      0.514     13.150      0.394      1077872 
L41HD2-L140CD1-HD1      0.512     25.977      0.859       360046 
  Y42H-L41CD1-HD1      8.962     24.934      0.220       184952 
  Y42H-L41CD2-HD2      8.967     24.203      0.511       272986 
  Y42H-V43CG1-HG1      8.930     19.846      0.077       377593 
  Y42H-I71CD1-HD1      8.963     13.152      0.393       120319 
     V43H-CG1-HG1      9.185     19.850      0.077       646836 
     V43H-CG2-HG2      9.185     18.162      0.691       649308 
 V43H-L121CD2-HD2      9.186     22.859      0.708       145980 
 V43H-V124CG2-HG2      9.185     20.332      0.520       260148 
V43HG1-L41CD1-HD1      0.091     24.963      0.221       547609 
V43HG1-L41CD2-HD2      0.083     24.215      0.510       485596 
   V43HG1-CG1-HG1      0.077     19.846      0.077      4525888 
   V43HG1-CG2-HG2      0.077     18.165      0.691      1440154 
V43HG1-I71CD1-HD1      0.085     13.163      0.395       101632 
V43HG1-V124CG1-HG1      0.076     20.839      0.562       297552 
V43HG1-V124CG2-HG2      0.076     20.058      0.519      1087579 
V43HG1-L129CD2-HD2      0.081     22.417      0.433       194496 
   V43HG2-CG1-HG1      0.690     19.849      0.077      1930182 
   V43HG2-CG2-HG2      0.691     18.160      0.690      2873505 
V43HG2-V124CG2-HG2      0.691     20.079      0.518      1134741 
  D44H-V43CG2-HG2      8.560     18.153      0.690       249999 
  D44H-L51CD1-HD1      8.579     27.250      0.782       191323 
  D44H-L51CD2-HD2      8.580     23.735      0.626       197876 
 D44H-L121CD2-HD2      8.574     22.892      0.707       128235 
 I45H-L121CD2-HD2      8.453     22.899      0.708        92596 
I45HD1-V43CG2-HG2      0.904     18.139      0.690        98986 
   I45HD1-CD1-HD1      0.925     14.855      0.924     11446181 
  V46H-I45CD1-HD1      8.871     14.854      0.924       126715 
     V46H-CG1-HG1      8.836     21.401      0.916       166480 
     V46H-CG2-HG2      8.823     22.802      0.873       426651 
 V46HG1-I9CD1-HD1      0.925     13.937      0.818       567064 
V46HG1-L12CD2-HD2      0.898     21.585      0.742      1848702 
   V46HG1-CG1-HG1      0.924     21.406      0.917     11634101 
V46HG2-L51CD1-HD1      0.893     27.216      0.779       277276 
  S47H-V46CG2-HG2      7.206     22.812      0.869       399447 
  G48H-V46CG1-HG1      8.572     21.475      0.916       110444 
  L51H-V43CG1-HG1      8.034     19.854      0.077       199900 
     L51H-CD2-HD2      8.050     23.748      0.627       130300 
  L51H-I71CD1-HD1      8.049     13.160      0.395       252570 
   L51HD1-CD1-HD1      0.777     27.216      0.783      2242440 
L51HD1-L121CD2-HD2      0.791     22.687      0.700      2497588 
   L51HD2-CD2-HD2      0.627     23.652      0.626     11018485 
  F52H-L41CD2-HD2      7.735     24.232      0.512       108320 
  F52H-V43CG1-HG1      7.727     19.856      0.076       101115 
  F52H-I71CD1-HD1      7.731     13.159      0.394       262458 
     I71H-CD1-HD1      7.457     13.155      0.394       166983 
  I71H-V75CG2-HG2      7.467     21.001      0.526       181338 
I71HD1-L41CD2-HD2      0.412     24.213      0.510      1433881 
I71HD1-L51CD2-HD2      0.431     23.652      0.625       216954 
   I71HD1-CD1-HD1      0.396     13.152      0.395      9932187 
I71HD1-L140CD1-HD1      0.398     25.896      0.858       370626 
  E74H-L51CD2-HD2      7.575     23.889      0.627        93061 
  E74H-V75CG1-HG1      7.568     21.550      0.619       129773 
  E74H-V75CG2-HG2      7.566     21.056      0.523       262428 
     V75H-CG1-HG1      7.749     21.518      0.621       242734 
     V75H-CG2-HG2      7.751     21.043      0.524       486961 
   V75HG1-CG1-HG1      0.625     21.554      0.621      4990794 
V75HG2-L51CD1-HD1      0.529     27.216      0.783       372069 
V75HG2-L51CD2-HD2      0.531     23.652      0.626      1409952 
   V75HG2-CG1-HG1      0.534     21.524      0.620      1855475 
   V75HG2-CG2-HG2      0.527     20.823      0.527      6190614 
V75HG2-L99CD1-HD1      0.529     27.301      0.721       644901 
V75HG2-L99CD2-HD2      0.531     23.617      0.691       352501 
  E76H-V75CG1-HG1      9.185     21.558      0.621       474470 
  E76H-V75CG2-HG2      9.183     21.035      0.525       248549 
  E76H-V90CG1-HG1      9.183     22.932      0.890       338644 
  E76H-V90CG2-HG2      9.186     20.940      0.680       166728 
  E76H-L99CD1-HD1      9.181     27.296      0.718       109985 
     L79H-CD1-HD1      8.605     23.503      0.912       272933 
     L79H-CD2-HD2      8.597     25.239      0.871       139549 
   L79HD1-CD1-HD1      0.898     23.268      0.901     25923280 
   L79HD2-CD2-HD2      0.875     25.142      0.872     31553404 
  D80H-L79CD1-HD1      9.326     23.522      0.908       924181 
  D80H-L79CD2-HD2      9.327     25.159      0.869       173917 
     I86H-CD1-HD1      8.118     12.466      0.824       166104 
   I86HD1-CD1-HD1      0.825     12.447      0.823     24281412 
  R87H-L79CD1-HD1      8.775     23.503      0.908       330176 
     V90H-CG1-HG1      8.095     22.963      0.890       425953 
     V90H-CG2-HG2      8.094     20.851      0.683      1025836 
 V90H-V102CG1-HG1      8.096     19.130      0.465       116947 
 V90H-I116CD1-HD1      8.095      9.336      0.423       110712 
V90HG1-V75CG1-HG1      0.892     21.551      0.622      1347574 
   V90HG1-CG2-HG2      0.893     20.860      0.683      2483161 
V90HG1-L99CD1-HD1      0.890     27.310      0.721       733842 
V90HG1-V102CG1-HG1      0.892     19.082      0.466       705642 
V90HG1-V102CG2-HG2      0.894     21.455      0.062       328948 
V90HG1-I116CD1-HD1      0.893      9.325      0.422       681955 
   V90HG2-CG1-HG1      0.687     22.927      0.890      3441348 
   V90HG2-CG2-HG2      0.683     20.828      0.683      9319060 
V90HG2-V102CG1-HG1      0.694     19.093      0.466      1481208 
V90HG2-I116CD1-HD1      0.689      9.325      0.422      1330396 
  R91H-V75CG1-HG1      8.993     21.553      0.621       285685 
  R91H-V90CG2-HG2      8.993     20.857      0.683       357949 
  R91H-L99CD1-HD1      8.993     27.322      0.725       120393 
  S92H-L99CD1-HD1      9.085     27.331      0.722       138922 
  S92H-L99CD2-HD2      9.088     23.616      0.689       157054 
  L99H-V90CG2-HG2      7.729     20.858      0.682       278378 
     L99H-CD2-HD2      7.732     23.487      0.693       152616 
   L99HD1-CD1-HD1      0.711     27.294      0.721      3798802 
L99HD2-L51CD2-HD2      0.728     23.652      0.628      4034442 
   L99HD2-CD2-HD2      0.702     23.617      0.689      6240756 
 G100H-V90CG2-HG2      6.645     20.836      0.683       373516 
G100H-I116CD1-HD1      6.651      9.361      0.420       119322 
 H101H-V90CG2-HG2      8.541     20.879      0.682       269004 
 V102H-V90CG1-HG1      8.244     22.898      0.889       248619 
 V102H-V90CG2-HG2      8.235     20.858      0.682       536174 
    V102H-CG1-HG1      8.235     19.070      0.466      1269899 
    V102H-CG2-HG2      8.235     21.477      0.062       325327 
V102HG1-V90CG1-HG1      0.475     22.930      0.892      1208838 
  V102HG1-CG1-HG1      0.466     19.080      0.466      6977648 
  V102HG1-CG2-HG2      0.466     21.474      0.062      1666226 
V102HG1-L112CD1-HD1      0.465     25.933      1.048       215469 
V102HG2-V75CG1-HG1      0.058     21.587      0.621        94712 
V102HG2-V90CG1-HG1      0.061     22.932      0.891       437234 
V102HG2-V90CG2-HG2      0.057     20.856      0.682       571331 
  V102HG2-CG1-HG1      0.058     19.083      0.466      2010373 
  V102HG2-CG2-HG2      0.063     21.480      0.062      4233470 
V102HG2-L112CD1-HD1      0.063     25.969      1.049       321974 
V102HG2-L112CD2-HD2      0.060     22.348      0.705      1059673 
F103H-V102CG1-HG1      9.021     19.088      0.465       280718 
F103H-V102CG2-HG2      9.036     21.497      0.066       526481 
N104HD21-L112CD2-HD2      7.560     22.349      0.707       307031 
N104HD22-L112CD2-HD2      6.893     22.318      0.708       259887 
N110HD21-L112CD1-HD1      7.988     25.995      1.041       116371 
N110HD22-L112CD1-HD1      7.644     25.895      1.043       111409 
L112HD1-V102CG1-HG1      1.053     19.070      0.466       420322 
L112HD1-V102CG2-HG2      1.045     21.474      0.063       579010 
  L112HD1-CD1-HD1      1.048     25.895      1.047      3827464 
  L112HD1-CD2-HD2      1.051     22.332      0.705      2653936 
L112HD2-V102CG2-HG2      0.699     21.490      0.063      1267990 
  L112HD2-CD1-HD1      0.710     25.895      1.046      1430629 
R113H-V102CG1-HG1      8.828     19.136      0.464       132311 
R113H-V102CG2-HG2      8.825     21.472      0.067       327418 
 C115H-V90CG2-HG2      9.398     20.843      0.681       140400 
C115H-I116CD1-HD1      9.390      9.330      0.423       157421 
I116HD1-L51CD1-HD1      0.439     27.216      0.782       121907 
I116HD1-L99CD2-HD2      0.441     23.617      0.689       143392 
  I116HD1-CD1-HD1      0.422      9.325      0.422      4423413 
 N117H-V19CG1-HG1      7.581     20.648      0.950       182594 
N117HD21-V19CG1-HG1      7.811     20.631      0.951       196576 
N117HD22-V19CG1-HG1      6.669     20.617      0.953       180084 
 A120H-V19CG1-HG1      7.356     20.635      0.951       105657 
 A120H-V19CG2-HG2      7.358     22.571      0.885       100544 
A120H-L121CD1-HD1      7.357     24.174      0.629       109072 
A120H-L121CD2-HD2      7.352     22.867      0.707       104579 
    L121H-CD1-HD1      8.289     24.154      0.627       124988 
    L121H-CD2-HD2      8.285     22.724      0.707       148164 
  L121HD1-CD1-HD1      0.630     24.017      0.627     12055108 
 R122H-V43CG2-HG2      8.925     18.168      0.691       505247 
R122H-L121CD1-HD1      8.944     24.066      0.630       131610 
R122H-L121CD2-HD2      8.929     22.732      0.710       338333 
 V124H-V43CG1-HG1      8.538     19.880      0.077       241255 
    V124H-CG1-HG1      8.510     20.905      0.561       227607 
    V124H-CG2-HG2      8.511     20.072      0.518       620245 
V124H-L129CD2-HD2      8.508     22.429      0.430       146252 
  V124HG1-CG1-HG1      0.547     20.915      0.561      6012655 
V124HG1-L129CD1-HD1      0.549     26.519      0.676       817251 
V124HG1-L129CD2-HD2      0.548     22.415      0.432      2088032 
V124HG2-V43CG1-HG1      0.522     19.854      0.077      1776992 
V124HG2-V43CG2-HG2      0.526     18.168      0.690      1092095 
  V124HG2-CG2-HG2      0.531     20.079      0.518      5490415 
K128H-L129CD2-HD2      7.534     22.426      0.433       134240 
L129H-V124CG1-HG1      7.178     20.917      0.563       136359 
    L129H-CD1-HD1      7.172     26.539      0.677       131282 
    L129H-CD2-HD2      7.175     22.414      0.433       211904 
L129H-L138CD2-HD2      7.175     24.553      0.999       128024 
L129HD1-L41CD1-HD1      0.677     24.933      0.220      1118193 
L129HD1-L41CD2-HD2      0.674     24.173      0.510      1099990 
  L129HD1-CD1-HD1      0.676     26.507      0.676      6118052 
  L129HD1-CD2-HD2      0.677     22.417      0.432      2312875 
L129HD2-V43CG1-HG1      0.409     19.875      0.072       209315 
L129HD2-V124CG1-HG1      0.449     21.035      0.562      1586084 
  L129HD2-CD1-HD1      0.432     26.501      0.676      1770682 
  L129HD2-CD2-HD2      0.432     22.411      0.431      4962146 
L129HD2-L138CD1-HD1      0.440     25.200      1.081       222858 
K130H-L129CD1-HD1      8.907     26.530      0.677        94095 
K130H-L138CD1-HD1      8.898     25.169      1.083       167794 
K130H-L138CD2-HD2      8.900     24.579      1.003       189015 
Y137H-L138CD1-HD1      8.130     25.251      1.084        80770 
    L138H-CD1-HD1      7.785     25.150      1.080       130205 
    L138H-CD2-HD2      7.786     24.530      0.996       123479 
L138HD1-L41CD2-HD2      1.058     24.315      0.510       106353 
L138HD1-L129CD1-HD1      1.086     26.587      0.675       541789 
L138HD1-L129CD2-HD2      1.079     22.524      0.430       183229 
  L138HD1-CD1-HD1      1.084     25.167      1.083     19134448 
  L138HD1-CD2-HD2      1.077     24.503      0.996      5952305 
L138HD2-L129CD1-HD1      1.003     26.503      0.676      1271796 
  L138HD2-CD1-HD1      1.010     25.128      1.079      4701872 
  L138HD2-CD2-HD2      1.002     24.539      0.999     18550114 
    L140H-CD1-HD1      6.914     25.862      0.856       108496 
    L140H-CD2-HD2      6.905     22.375      0.673       231884 
L140HD1-L41CD1-HD1      0.866     24.915      0.221       371568 
L140HD1-I71CD1-HD1      0.858     13.150      0.394       848131 
  L140HD1-CD1-HD1      0.876     25.825      0.857      8997664 
  L140HD1-CD2-HD2      0.860     22.364      0.676      3635503 
L140HD2-I71CD1-HD1      0.671     13.165      0.395       449531 
  L140HD2-CD1-HD1      0.677     25.908      0.858      2126309 
    L144H-CD1-HD1      8.358     24.714      0.912       110004 
  L144HD1-CD1-HD1      0.900     24.813      0.900     62119296 
  L144HD2-CD2-HD2      0.842     23.447      0.840     62478056 
;

save_


save_NNH_noesy
   _Saveframe_category              spectral_peak_list

   _Details                         .
   _Experiment_label               '3D (N15)HSQC-NOESY-(N15)HSQC'
   _Number_of_spectral_dimensions   3

   loop_
      _Expt_dimension_ID
      _Atom_type
      _Spectral_region

      1 H 'all H' 
      2 N  all    
      3 N  all    

   stop_

   _Sample_label                   $SR10.026
   _Sample_conditions_label        $sample_conditions_1
   _Text_data_format                text
   _Text_data                      
;
      Assignment         w1         w2         w3   Data Height     Note    

            ?-?-?    126.283    126.296      8.498       493387 
            ?-?-?    118.077    118.087      7.927     10813702 
            ?-?-?    112.728    118.148      7.927       590406 
            ?-?-?    119.725    119.758      8.143     11178490 
            ?-?-?    118.802    118.753      7.588     13621998 
            ?-?-?    112.137    112.211      7.606     11840814 
            ?-?-?    121.384    121.397      7.286     15745358 
            ?-?-?    122.566    119.804      8.860      1144934 
            ?-?-?    119.806    119.813      8.860     28240752 
            ?-?-?    111.502    119.793      8.860      1187221 Q16NE2 V46N V46H Q16HE21/Q16NE2 V46N V46H Q16HE22(QU=0.500)

            ?-?-?    120.002    116.562      8.334      3635798 N13N R14N R14H N13H/M15N R14N R14H M15H(QU=0.877)

            ?-?-?    110.252    116.591      8.337       416305 
            ?-?-?    120.024    120.058      8.352      9313224 
            ?-?-?    110.285    120.037      8.354       697638 
            ?-?-?    117.643    117.652      8.843      6936320 
            ?-?-?    116.376    117.667      8.842      1185086 R14N Q16N Q16H R14H/V19N Q16N Q16H V19H(QU=0.907)

            ?-?-?    110.319    117.681      8.839       734771 
            ?-?-?    122.576    122.603      9.164      9123626 
            ?-?-?    121.254    121.282      8.938     11202859 
            ?-?-?    111.686    121.298      8.936       511489 
            ?-?-?    111.726    116.102      8.624       488976 
            ?-?-?    104.421    116.147      8.629      2467992 T20N V19N V19H T20H/T20N Q21N Q21H T20H(QU=0.840)

            ?-?-?    116.169    104.424      7.717      3323195 V19N T20N T20H V19H/Q21N T20N T20H Q21H(QU=0.797)

            ?-?-?    104.430    104.431      7.718      2454723 
            ?-?-?    114.454    114.462      6.850      4755423 
            ?-?-?    113.056    113.053      7.113      6801616 
            ?-?-?    111.693    113.089      7.112       589310 N22ND2 N23N N23H N22HD21/N22ND2 N23N N23H N22HD22(QU=0.254)

            ?-?-?    111.754    108.009      8.599       623933 N22ND2 G24N G24H N22HD21/N22ND2 G24N G24H N22HD22(QU=0.366)

            ?-?-?    107.980    107.988      8.599     13838423 
            ?-?-?    111.927    110.556      7.811       628004 
            ?-?-?    110.548    110.548      7.812     20705590 
            ?-?-?    128.234    128.245      8.765     11585891 
            ?-?-?    117.608    114.303      8.173      1173652 
            ?-?-?    114.310    114.305      8.172      2847133 
            ?-?-?    121.726    121.738      6.861      5575593 
            ?-?-?    117.608    121.750      6.861      1261166 
            ?-?-?    111.887    121.750      6.865       487338 
            ?-?-?    113.631    113.630      7.404     17856922 
            ?-?-?    111.960    113.665      7.411       429222 
            ?-?-?    117.581    117.590      9.582      7344772 
            ?-?-?    108.422    108.456      8.871      1121982 
            ?-?-?    128.669    123.112      7.651       537326 
            ?-?-?    123.050    123.068      7.651      2458156 
            ?-?-?    119.400    119.420      7.077      3092247 
            ?-?-?    121.294    121.300      6.733      1193475 
            ?-?-?    124.401    124.447      8.491       980048 
            ?-?-?    116.955    116.977      5.262       526382 
            ?-?-?    119.500    119.506      8.617     56510284 
            ?-?-?    112.178    112.184      9.368      5891015 
            ?-?-?    118.082    118.081      8.007     33142878 
            ?-?-?    118.348    118.357      8.963     28121642 
            ?-?-?    121.355    121.376      8.577     16138502 
            ?-?-?    130.455    130.462      8.447      6366763 
            ?-?-?    108.021    108.035      7.220      2087058 
            ?-?-?    110.602    110.609      8.565      6089076 
            ?-?-?    120.996    120.956      7.856      6234192 
            ?-?-?    119.018    119.028      8.051     10297370 
            ?-?-?    110.610    110.613      7.734     10807750 
            ?-?-?    111.455    111.476      9.616      1158385 
            ?-?-?    113.872    113.877      9.039      7107087 
            ?-?-?    121.866    121.886      7.662      2478390 
            ?-?-?    115.478    115.478      7.370      2878146 
            ?-?-?    124.671    124.695      7.487      6405496 
            ?-?-?    117.199    117.228      8.058      1756552 
            ?-?-?    119.075    119.102      8.277       933611 
            ?-?-?    117.603    117.625      8.583      4873702 
            ?-?-?    119.709    119.716      7.461     28543062 
            ?-?-?    115.879    119.745      7.461       632925 E73N I71N I71H E73H/E74N I71N I71H E74H(QU=0.645)

            ?-?-?    125.874    125.892      8.241      1115321 
            ?-?-?    115.880    125.977      8.239       441505 E73N E72N E72H E73H/E74N E72N E72H E74H(QU=0.844)

            ?-?-?    117.327    117.329      7.753      2203130 
            ?-?-?    115.921    117.334      7.753      1792922 E73N V75N V75H E73H/E74N V75N V75H E74H(QU=0.983)

            ?-?-?    124.786    124.835      9.184     14106086 
            ?-?-?    122.305    122.320      8.461     39866240 
            ?-?-?    120.822    122.364      8.464       404322 
            ?-?-?    126.894    121.912      8.981       633150 
            ?-?-?    121.880    121.892      8.979     24438440 
            ?-?-?    125.332    125.345      8.602     50731356 
            ?-?-?    126.859    126.871      9.327     17097186 
            ?-?-?    121.853    126.815      9.326       516911 
            ?-?-?    105.114    105.124      8.660      2551410 
            ?-?-?    118.223    118.236      7.347      7638982 
            ?-?-?    119.020    119.026      8.119     50345468 
            ?-?-?    125.409    125.426      8.771      9397171 
            ?-?-?    119.314    119.325      9.456     15240625 
            ?-?-?    129.604    129.611      9.392     16576956 
            ?-?-?    120.680    120.691      8.094     12479922 
            ?-?-?    119.441    120.691      8.096      1641033 
            ?-?-?    124.258    124.248      8.994     18744970 
            ?-?-?    119.328    114.902      9.082       802651 D96N S92N S92H D96H/L99N S92N S92H L99H(QU=0.884)

            ?-?-?    114.879    114.876      9.084      8536652 
            ?-?-?    123.356    123.364      8.711       693723 
            ?-?-?    118.804    118.693      7.901       410010 
            ?-?-?    119.212    119.227      7.366      2526776 
            ?-?-?    112.730    112.720      7.911      2240382 
            ?-?-?    123.091    123.115      8.984     17122042 
            ?-?-?    116.168    123.109      8.983       567913 
            ?-?-?    111.104    123.026      8.987       558318 
            ?-?-?    124.265    119.467      7.724       540692 
            ?-?-?    119.430    119.444      7.730      9325697 
            ?-?-?    103.716    103.729      6.647      7246678 
            ?-?-?    121.487    121.504      8.543     11817875 
            ?-?-?    118.015    118.018      8.236     16687809 
            ?-?-?    127.224    127.234      9.040     11355166 
            ?-?-?    106.570    106.580      8.089      9512613 
            ?-?-?    109.361    109.378      8.532      7290270 
            ?-?-?    118.781    118.732      8.766       988667 
            ?-?-?    107.958    118.585      8.768       813735 
            ?-?-?    118.806    107.958      8.099      2511019 
            ?-?-?    107.971    107.959      8.099      2619599 
            ?-?-?    118.823    118.836      7.537     16524066 
            ?-?-?    107.965    118.839      7.541      1579202 
            ?-?-?    127.123    120.757      8.915      2463963 
            ?-?-?    118.987    120.716      8.910       810797 
            ?-?-?    106.087    120.693      8.913       621513 
            ?-?-?    128.153    128.160     10.085      6778508 
            ?-?-?    129.764    129.777      8.583     11997499 
            ?-?-?    128.290    129.772      8.584       519491 
            ?-?-?    115.539    119.296      7.582      1753200 N117ND2 N117N N117H N117HD21/N117ND2 N117N N117H N117HD22(QU=0.971)

            ?-?-?    121.160    121.168     10.079      5253541 
            ?-?-?    113.134    113.147      7.365     11509330 
            ?-?-?    125.291    125.304      7.905      9945706 
            ?-?-?    130.725    130.729      8.511     25756552 
            ?-?-?    120.460    120.469      7.996     27871016 
            ?-?-?    118.091    120.480      7.996      2228188 L41N K126N K126H L41H/L129N K126N K126H L129H(QU=1.000)

            ?-?-?    112.911    112.900      8.284      2071768 
            ?-?-?    120.933    120.947      8.691     12372421 
            ?-?-?    122.261    115.152      7.650       879845 
            ?-?-?    119.964    115.178      7.651       436578 
            ?-?-?    115.157    115.158      7.652     12212356 
            ?-?-?    104.558    104.576      7.422      7899825 
            ?-?-?    118.780    118.808      8.619     11196249 
            ?-?-?    122.249    122.267      9.076     10247586 
            ?-?-?    115.220    122.247      9.075       913238 
            ?-?-?    104.566    122.262      9.076      2130322 
            ?-?-?    117.160    117.174      8.127      7110404 
            ?-?-?    120.838    120.854      7.791      6756908 
            ?-?-?    118.956    118.970      6.913      8503539 
            ?-?-?    118.970    114.060      7.614      4405948 L140N F141N F141H L140H/N142N F141N F141H N142H(QU=0.625)

            ?-?-?    114.060    114.061      7.615      6558877 
            ?-?-?    121.861    121.875      8.402      7479942 
            ?-?-?    119.846    110.233      6.728       405639 
            ?-?-?    111.448    110.236      6.724       520693 
            ?-?-?    110.289    110.285      6.727      2368023 
            ?-?-?    119.771    110.065      7.553       518179 
            ?-?-?    110.270    110.274      7.548      2348744 
            ?-?-?    113.743    113.573     10.106      1438343 
            ?-?-?    111.419    111.427      9.574       666053 
            ?-?-?    107.750    107.760      7.850      3585116 
            ?-?-?    120.761    106.110      7.786      1029081 
            ?-?-?    118.987    106.101      7.786      2493022 
            ?-?-?    106.096    106.108      7.787      5404812 
            ?-?-?    107.176    107.232      8.577      1538311 
            ?-?-?    131.024    131.025     10.006     14615840 
            ?-?-?    128.480    131.004     10.008       698594 
            ?-?-?    131.683    131.694      9.925      9193944 
            ?-?-?    113.553    119.174      7.474       707915 N110ND2 L112N L112H N110HD21/N110ND2 L112N L112H N110HD22(QU=0.458)

            ?-?-?    120.716    119.010      7.682      1089067 
            ?-?-?    118.991    118.994      7.681      3943435 
            ?-?-?    106.101    119.015      7.682      2633784 
            ?-?-?    120.161    120.168      8.826     11642216 
            ?-?-?    112.829    112.821      7.840      6108678 
            ?-?-?    127.127    127.134      8.977      5792746 
            ?-?-?    120.738    127.148      8.977      2001452 
            ?-?-?    117.921    127.171      8.977       402312 
            ?-?-?    111.832    111.754      7.285       404289 
            ?-?-?    112.844    112.840      7.155      5953704 
            ?-?-?    112.741    112.712      7.007      8920024 
            ?-?-?    112.961    112.953      6.894     53139716 
            ?-?-?    113.812    113.819      6.841      3341194 
            ?-?-?    111.912    111.890      6.848     43739200 
            ?-?-?    117.300    117.329      7.981       819551 
            ?-?-?    117.759    117.796      8.661      2599824 
            ?-?-?    128.300    117.774      8.662      1436293 
            ?-?-?    119.163    120.191      8.826      1026597 D105N R113N R113H D105H/L112N R113N R113H L112H(QU=0.999)

            ?-?-?    117.496    117.471      8.286     19356610 
            ?-?-?    117.297    117.265      8.290     13913092 
            ?-?-?    111.765    114.504      6.849      1032368 N22ND2 N22N N22H N22HD21/N22ND2 N22N N22H N22HD22(QU=0.338)

            ?-?-?    119.355    119.352      7.580      8569167 
            ?-?-?    116.202    119.794      8.860       420958 N13ND2 N13N N13H N13HD21/N13ND2 N13N N13H N13HD22(QU=0.837)

            ?-?-?    119.171    119.145      8.651     12836778 
            ?-?-?    117.756    118.792      7.590      1122326 
            ?-?-?    124.107    124.155      8.520       565400 
            ?-?-?    119.863    119.808      8.835     10958632 
            ?-?-?    121.042    121.164      8.734       878305 
            ?-?-?    120.792    120.781      7.754       750747 
            ?-?-?    118.788    118.806      8.940      4588040 
            ?-?-?    129.322    129.327      9.404     16701394 
            ?-?-?    119.186    119.145      7.754      8004314 
            ?-?-?    119.186    119.219      7.470      6466366 
            ?-?-?    122.176    122.166      8.443      9772829 
            ?-?-?    123.635    123.624      8.388      4511036 
            ?-?-?    116.503    119.767      8.863       608343 N13ND2 N13N N13H N13HD21/N13ND2 N13N N13H N13HD22/R14N

            ?-?-?    117.646    119.807      8.859      1253626 
            ?-?-?    118.427    119.005      8.045      2520010 Y42N L51N L51H Y42H/V43N L51N L51H V43H(QU=0.387)

            ?-?-?    119.249    112.699      7.911       862989 D96N S97N S97H D96H/L99N S97N S97H L99H(QU=0.464)

            ?-?-?    119.313    123.185      8.985       647851 D96N H98N H98H D96H/L99N H98N H98H L99H(QU=0.947)

            ?-?-?    121.632    120.675      8.097       645140 K78N V90N V90H K78H/H101N V90N V90H H101H(QU=0.983)

            ?-?-?    111.747    111.741      6.892     69036760 N22ND2 N22ND2 N22HD22 N22HD21/N104ND2 N104ND2 N104HD22 N104HD21(QU=0.914)

            ?-?-?    120.176    106.580      8.087      1610341 N104N G106N G106H N104H/R113N G106N G106H R113H(QU=0.781)

        K5N-E6N-H    126.325    117.495      8.284       692513 
        E6N-K5N-H    117.461    126.321      8.497      1538887 
        E6N-E7N-H    117.557    118.090      7.927      5302450 
        E6N-K8N-H    117.458    119.790      8.146      1905052 
        E7N-K5N-H    117.970    126.336      8.498       521797 
        E7N-E6N-H    118.026    117.500      8.286      4443845 
        E7N-K8N-H    118.098    119.757      8.143      5384874 
        E7N-I9N-H    118.095    119.131      8.651      1872285 
        K8N-E6N-H    119.691    117.471      8.286      1913660 
        K8N-E7N-H    119.716    118.094      7.928      5795416 
        K8N-I9N-H    119.731    119.131      8.651      4348574 
       K8N-K10N-H    119.676    118.731      7.590      1960528 
        I9N-E6N-H    119.190    117.471      8.286      1110695 
        I9N-E7N-H    119.063    118.105      7.930      2662720 
        I9N-K8N-H    119.208    119.766      8.146      5944498 
       I9N-S11N-H    119.502    112.169      7.595       773778 
      K10N-S11N-H    118.792    112.193      7.598      3727820 
      K10N-L12N-H    118.771    121.400      7.286      2156656 
      K10N-N13N-H    118.749    119.956      8.852       430692 
       S11N-K8N-H    112.327    119.826      8.143       448326 
       S11N-I9N-H    112.201    119.214      8.651      1096089 
      S11N-K10N-H    112.196    118.741      7.590      2942676 
      S11N-L12N-H    112.203    121.399      7.286      4871680 
       L12N-I9N-H    121.357    119.168      8.652       675469 
      L12N-K10N-H    121.389    118.764      7.590      2191236 
      L12N-S11N-H    121.385    112.205      7.599      5844076 
      L12N-N13N-H    121.332    119.817      8.856       863648 
      L12N-N13N-H    121.337    119.823      8.835       575506 
      L12N-R14N-H    121.320    116.552      8.339       340317 
      N13N-L12N-H    119.826    121.418      7.287       915895 
  N13ND2-ND2-HD21    116.529    116.543      8.334      8491272 
  N13ND2-ND2-HD22    116.201    116.160      7.203       601027 
      R14N-M15N-H    116.532    120.068      8.352      2250804 
      M15N-Q16N-H    120.022    117.652      8.842      4931937 
      M15N-Y17N-H    119.980    122.580      9.164      2729676 
      M15N-E18N-H    120.134    121.221      8.935       956275 
      Q16N-R14N-H    117.639    116.586      8.333      1542900 
      Q16N-M15N-H    117.641    120.073      8.352      5192454 
      Q16N-Y17N-H    117.650    122.587      9.164      3838978 
      Q16N-E18N-H    117.655    121.285      8.936      1564887 
      Q16N-V19N-H    117.544    116.164      8.638       410961 
  Q16NE2-NE2-HE21    111.505    111.487      6.794      1824688 
  Q16NE2-NE2-HE22    111.520    111.501      7.861      2485527 
      Y17N-R14N-H    122.622    116.563      8.332       650917 
      Y17N-M15N-H    122.579    120.081      8.353      2205973 
      Y17N-Q16N-H    122.581    117.654      8.844      3723507 
      Y17N-E18N-H    122.591    121.275      8.936      4797242 
      Y17N-V19N-H    122.613    116.166      8.638      1041083 
      E18N-M15N-H    121.259    120.071      8.355      1013340 
      E18N-Q16N-H    121.225    117.657      8.842      1704683 
      E18N-Y17N-H    121.267    122.607      9.165      5106314 
      E18N-V19N-H    121.276    116.185      8.640      3219711 
      E18N-T20N-H    121.288    104.465      7.721       599884 
      V19N-Y17N-H    116.215    122.613      9.164      2134446 
      V19N-E18N-H    116.184    121.284      8.939      4782874 
      T20N-Y17N-H    104.409    122.595      9.163       405184 
      T20N-E18N-H    104.423    121.287      8.937       705519 
      T20N-N22N-H    104.416    114.429      6.849      1174683 
      T20N-N23N-H    104.456    113.000      7.117       665169 
      Q21N-V19N-H    116.163    116.162      8.634     10548718 
      Q21N-N22N-H    116.116    114.483      6.851      3692922 
      Q21N-N23N-H    116.119    113.047      7.113      2274980 
      Q21N-G24N-H    116.131    107.992      8.599      1642977 
      N22N-T20N-H    114.500    104.431      7.717       778350 
      N22N-Q21N-H    114.443    116.122      8.620      2699728 
      N22N-N23N-H    114.468    113.060      7.113      3434450 
      N22N-G24N-H    114.464    107.990      8.598      2157988 
  N22ND2-ND2-HD21    111.714    111.704      8.114     29159452 
      N23N-Q21N-H    113.062    116.107      8.620      1610838 
      N23N-N22N-H    113.031    114.482      6.850      3433195 
      N23N-G24N-H    113.072    107.979      8.598      4595671 
      G24N-Q21N-H    107.983    116.128      8.619      1172163 
      G24N-N22N-H    107.979    114.465      6.850      2271434 
      G24N-N23N-H    107.982    113.069      7.113      4619354 
      G24N-T25N-H    108.008    110.577      7.809       531135 
      T25N-E26N-H    110.553    128.240      8.769       520111 
      E26N-T25N-H    128.213    110.569      7.813       871912 
  E26N-W64NE1-HE1    128.253    131.702      9.924      1857527 
      F29N-Q30N-H    114.254    121.745      6.860      1527401 
      F29N-N31N-H    114.545    113.621      7.406      1589734 
      Q30N-F29N-H    121.726    114.313      8.171      1530384 
      Q30N-N31N-H    121.725    113.626      7.406      2885174 
      N31N-F29N-H    113.762    114.332      8.173      1150683 
      N31N-Q30N-H    113.608    121.750      6.860      2937924 
  N31N-W34NE1-HE1    113.643    131.038     10.006      1489337 
      E32N-N31N-H    117.618    113.602      7.406      1527471 
      E32N-Y33N-H    117.591    108.428      8.869       852944 
      E32N-W34N-H    117.556    123.052      7.652       806032 
      Y33N-E32N-H    108.452    117.591      9.581       969165 
      Y33N-W34N-H    108.449    123.077      7.652      1181424 
      W34N-E32N-H    123.056    117.607      9.582       582363 
      W34N-Y33N-H    123.050    108.467      8.873       871768 
      W34N-D35N-H    123.058    119.436      7.079       831906 
    W34NE1-Q30N-H    130.978    121.806      6.861       631857 
    W34NE1-N31N-H    131.024    113.628      7.406      3067018 
      D35N-W34N-H    119.402    123.071      7.652       795966 
      D35N-H36N-H    119.438    121.328      6.734      1443221 
      H36N-Y33N-H    121.311    108.456      8.879       416766 
      H36N-W34N-H    121.300    123.041      7.652       494075 
      H36N-D35N-H    121.322    119.461      7.079      1011345 
      E38N-K37N-H    116.947    124.199      8.522       595385 
      E39N-G40N-H    119.478    112.173      9.368       631581 
      G40N-S54N-H    112.186    113.888      9.038      1649561 
      L41N-G40N-H    118.134    112.165      9.368       861693 
     L41N-V124N-H    118.100    130.729      8.511      9235164 
      Y42N-F52N-H    118.412    110.614      7.734      4009876 
      Y42N-S54N-H    118.276    113.880      9.041       932324 
      V43N-D44N-H    118.483    121.353      8.582      1086403 
     V43N-R122N-H    118.478    118.483      8.923     27351200 
      D44N-V43N-H    121.366    118.530      9.184       463585 
      D44N-I45N-H    121.217    130.510      8.447       529533 
      D44N-L51N-H    121.346    119.029      8.050       769558 
     D44N-R122N-H    121.285    118.482      8.930       419926 
      I45N-V46N-H    130.469    119.811      8.835      1032841 
      I45N-G48N-H    130.444    110.599      8.568       404054 
     I45N-R122N-H    130.545    118.494      8.921       817803 
      V46N-D44N-H    119.657    121.385      8.577       495689 
      V46N-I45N-H    119.803    130.463      8.447      1337042 
      V46N-S47N-H    119.837    108.016      7.216      1067031 
      V46N-G48N-H    119.789    110.616      8.564      1528589 
      V46N-K49N-H    119.849    120.995      7.855       535559 
      S47N-I45N-H    107.992    130.486      8.445       554446 
      S47N-V46N-H    108.012    119.841      8.834      1202406 
      S47N-G48N-H    108.028    110.606      8.565      2525581 
      S47N-K49N-H    108.023    120.982      7.856      1178050 
      G48N-D44N-H    110.610    121.364      8.581      1278645 
      G48N-I45N-H    110.587    130.506      8.445       446564 
      G48N-V46N-H    110.420    119.792      8.856      1849370 
      G48N-S47N-H    110.598    108.041      7.219      1753037 
      G48N-K49N-H    110.611    120.977      7.855      2913779 
      K49N-S47N-H    121.087    108.022      7.220       699534 
      K49N-G48N-H    121.066    110.610      8.564      2549958 
      L51N-Y42N-H    119.259    118.438      8.964      1424424 
      L51N-F52N-H    119.017    110.616      7.734      6440958 
      F52N-Y42N-H    110.606    118.348      8.966      3895846 
      F52N-L51N-H    110.605    119.041      8.050      6300241 
      S54N-G40N-H    113.860    112.188      9.367      1664011 
      S54N-K55N-H    113.907    121.885      7.661      1690995 
      S54N-D56N-H    113.907    115.488      7.370       799887 
      S54N-K57N-H    113.847    124.719      7.486       471468 
      K55N-G40N-H    121.837    112.208      9.369       470729 
      K55N-S54N-H    121.883    113.872      9.039      1710587 
      K55N-D56N-H    121.882    115.471      7.369      1665475 
      K55N-K57N-H    121.923    124.693      7.489      1079205 
      D56N-S54N-H    115.429    113.866      9.036       651583 
      D56N-K55N-H    115.487    121.891      7.663      1497630 
      D56N-K57N-H    115.469    124.694      7.487      2349406 
      K57N-K55N-H    124.670    121.907      7.663       893805 
      K57N-D56N-H    124.671    115.476      7.369      2569082 
      G63N-W64N-H    104.912    120.653      7.750       411837 
    W64NE1-E26N-H    131.691    128.257      8.765       948530 
     F67N-Y114N-H    117.621    128.159     10.085      2033481 
      T68N-K69N-H    113.817    113.929      7.184      2869509 
      T68N-K69N-H    113.615    113.591      7.165      7045638 
      K69N-T68N-H    113.635    113.696     10.034      3889324 
      E72N-I71N-H    125.896    119.726      7.461       929694 
      E72N-E73N-H    125.960    115.850      8.823       856969 
      E73N-E74N-H    115.929    115.967      7.570      4614156 
      E74N-E73N-H    115.847    115.826      8.822     10780898 
      V75N-E73N-H    117.309    115.824      8.820      1507780 
      V75N-E74N-H    117.301    115.963      7.569      1989766 
      E76N-E77N-H    124.786    122.349      8.462       764934 
      E76N-R91N-H    124.770    124.258      8.993      5992260 
      E77N-E76N-H    122.287    124.831      9.183       691260 
      E77N-R91N-H    122.281    124.310      8.994       586499 
      K78N-L79N-H    121.903    125.333      8.602      1267761 
      K78N-E89N-H    121.865    129.295      9.406      6590626 
      L79N-K78N-H    125.315    121.903      8.980      1358348 
      L79N-E89N-H    125.336    129.301      9.408       909871 
      D80N-L79N-H    126.830    125.363      8.603      1127464 
      D80N-T81N-H    126.892    118.762      8.938       421242 
      D80N-R87N-H    126.862    125.439      8.771      3979474 
      D80N-T88N-H    126.945    119.302      9.456       524890 
      D80N-E89N-H    126.908    129.309      9.406      2354525 
      T81N-S82N-H    118.662    118.382      8.419       516681 
      G84N-M85N-H    105.117    118.224      7.347      2024291 
      M85N-G84N-H    118.194    105.125      8.659      1926286 
      I86N-M85N-H    118.992    118.237      7.349       959313 
      I86N-R87N-H    119.097    125.449      8.771      1324388 
      R87N-D80N-H    125.398    126.856      9.327      3514916 
      R87N-I86N-H    125.413    119.035      8.120       967222 
      R87N-T88N-H    125.451    119.324      9.457       400987 
      T88N-D80N-H    119.232    126.833      9.328       509844 
      T88N-E89N-H    119.311    129.304      9.407       762467 
     T88N-V102N-H    119.320    117.979      8.236       988919 
      E89N-K78N-H    129.251    121.894      8.980      5916245 
      E89N-L79N-H    129.285    125.344      8.601       419080 
      E89N-D80N-H    129.260    126.842      9.326      1660860 
      E89N-T88N-H    129.281    119.351      9.457       623162 
      V90N-E89N-H    120.621    129.260      9.407       807655 
      V90N-R91N-H    120.694    124.178      8.991       766911 
     V90N-G100N-H    120.674    103.723      6.648      2691693 
     V90N-H101N-H    120.777    121.473      8.543       839143 
     V90N-V102N-H    120.583    118.014      8.236       655472 
      R91N-E76N-H    124.261    124.877      9.184      6827423 
      R91N-K78N-H    124.245    121.975      8.983       524839 
      R91N-V90N-H    124.270    120.690      8.096       720440 
      R91N-S92N-H    124.391    114.912      9.082       586609 
      S92N-D96N-H    114.873    119.239      7.368      1080525 
      S92N-S97N-H    114.870    112.694      7.912      2135010 
      S92N-H98N-H    114.974    123.053      8.984       411719 
      D96N-A95N-H    119.020    118.822      7.871       424068 
      S97N-S92N-H    112.694    114.858      9.082      1792603 
      S97N-D96N-H    112.707    119.230      7.365      1405349 
      S97N-H98N-H    112.996    123.032      8.984       470511 
     L99N-G100N-H    119.459    103.728      6.648      5309373 
     G100N-V90N-H    103.706    120.694      8.094      2299965 
     G100N-L99N-H    103.719    119.462      7.730      5143161 
    G100N-H101N-H    103.698    121.550      8.540       542751 
    H101N-G100N-H    121.403    103.689      6.642       468280 
    H101N-C115N-H    121.550    129.680      9.396      4585428 
     V102N-T88N-H    117.995    119.340      9.456      2359634 
     V102N-E89N-H    117.987    129.574      9.394       797847 
     V102N-E89N-H    118.044    129.297      9.407       665177 
     V102N-V90N-H    118.024    120.689      8.095       752748 
    V102N-H101N-H    118.034    121.513      8.543       917028 
    V102N-F103N-H    118.076    127.218      9.038       691856 
    F103N-V102N-H    127.164    118.009      8.237       840695 
    F103N-D105N-H    127.220    119.172      7.756       551875 
    F103N-G106N-H    127.153    106.543      8.091       481547 
    F103N-R113N-H    127.218    120.187      8.825      4908534 
    F103N-Y114N-H    127.283    128.130     10.086       504589 
    F103N-C115N-H    127.149    129.651      9.396      1382530 
    N104N-D105N-H    120.647    119.447      7.730      1676137 
 N104ND2-ND2-HD21    111.828    111.813      7.561     85207896 
    D105N-G106N-H    119.156    106.579      8.088      4093505 
    G106N-D105N-H    106.575    119.164      7.756      3984777 
    G106N-R113N-H    106.597    120.217      8.826       812130 
 N110ND2-ND2-HD21    113.488    113.470      7.990      5539852 
 N110ND2-ND2-HD22    113.464    113.427      7.653      5181146 
    G111N-G108N-H    107.744    109.341      8.529       435688 
    G111N-N110N-H    107.754    113.916      8.380       451745 
    G111N-L112N-H    107.756    119.160      7.471      1246817 
    L112N-G108N-H    119.074    109.369      8.535       510886 
    L112N-G111N-H    119.121    107.763      7.850      1872452 
    R113N-F103N-H    120.190    127.233      9.041      3969388 
    R113N-N104N-H    120.526    120.589      8.862       551619 
    R113N-Y114N-H    120.182    128.130     10.088       599544 
     Y114N-F67N-H    128.146    117.629      8.583      2803884 
    Y114N-C115N-H    128.141    129.606      9.394       613312 
    C115N-H101N-H    129.682    121.509      8.541      2831462 
    C115N-Y114N-H    129.675    128.201     10.086       485318 
    N117N-H101N-H    119.432    121.514      8.541       450128 
    S118N-A119N-H    128.615    121.169     10.078      2109979 
    S118N-A120N-H    128.611    113.052      7.356       455246 
    A119N-A120N-H    121.184    113.076      7.358      1754349 
    A119N-L121N-H    121.148    117.206      8.294      1167088 
    A120N-A119N-H    113.055    121.176     10.078      2207651 
    A120N-L121N-H    113.070    117.233      8.292      6229214 
    L121N-A119N-H    117.257    121.172     10.079      1383011 
    L121N-A120N-H    117.219    113.087      7.358      6004670 
     R122N-V43N-H    118.495    118.514      9.184      9874562 
     R122N-I45N-H    118.523    130.483      8.447      1239680 
    R122N-L121N-H    118.468    117.294      8.286      1619960 
    R122N-F123N-H    118.475    125.317      7.906      1543832 
    F123N-R122N-H    125.321    118.575      8.929       451823 
     V124N-L41N-H    130.726    118.079      8.007      9228195 
     V124N-Y42N-H    130.699    118.416      8.967       681000 
     V124N-V43N-H    130.693    118.538      9.188       694413 
    V124N-F123N-H    130.729    125.313      7.903       832280 
     K126N-L41N-H    120.480    118.043      8.005       518632 
    K126N-H127N-H    120.472    112.894      8.281      2682340 
    K126N-K128N-H    120.565    118.875      7.535      1222298 
    H127N-K126N-H    112.896    120.454      7.996      1762368 
    H127N-K128N-H    112.900    118.845      7.534      1468735 
    H127N-L129N-H    112.924    118.023      7.176       696293 
    K128N-K126N-H    118.957    120.463      7.996      1698990 
    K128N-H127N-H    118.868    112.902      8.284      2588306 
    K128N-L129N-H    118.818    118.027      7.177      6947787 
    L129N-H127N-H    118.076    112.903      8.283      2257126 
    L129N-K128N-H    118.058    118.845      7.534      9284736 
    L129N-K130N-H    118.228    118.261      8.897     14220069 
    K130N-L129N-H    118.056    118.032      7.177     15171308 
    K130N-E131N-H    118.145    120.945      8.691      6978807 
    K130N-E132N-H    118.206    115.175      7.650      3028571 
    E131N-L129N-H    120.800    118.025      7.176       980082 
    E131N-K130N-H    120.935    118.178      8.897      4144812 
    E131N-E132N-H    120.930    115.164      7.652      5899188 
    E131N-G133N-H    120.944    104.594      7.422      1588396 
    E132N-L129N-H    115.153    118.038      7.177       406472 
    E132N-K130N-H    115.180    118.220      8.898      1341379 
    E132N-E131N-H    115.166    120.944      8.692      5415288 
    E132N-G133N-H    115.161    104.575      7.422      4469414 
    E132N-Y134N-H    115.166    118.785      8.617      2935441 
    G133N-K130N-H    104.548    118.152      8.895       483566 
    G133N-E131N-H    104.566    120.956      8.692      1809435 
    G133N-E132N-H    104.569    115.169      7.652      5159052 
    G133N-Y134N-H    104.578    118.806      8.617      5810632 
    Y134N-E131N-H    118.810    121.017      8.685      1138802 
    Y134N-E132N-H    118.674    115.163      7.651      3156896 
    Y134N-G133N-H    118.770    104.587      7.423      5295300 
    Y134N-E135N-H    118.787    122.257      9.076      4809488 
    E135N-G133N-H    122.244    104.614      7.423      1632738 
    E135N-Y134N-H    122.242    118.798      8.618      4227615 
    E135N-Y137N-H    122.240    117.204      8.128       442666 
    Y137N-E135N-H    117.249    122.253      9.076       462094 
    Y137N-L138N-H    117.167    120.861      7.791      4245083 
    L138N-E135N-H    120.868    122.299      9.077       573898 
    L138N-Y137N-H    120.838    117.185      8.127      4620386 
    L140N-L138N-H    118.827    120.901      7.789       497915 
    L140N-N142N-H    118.950    118.836      7.620      2257352 
    F141N-L140N-H    114.059    118.978      6.914      3785442 
    F141N-N142N-H    114.084    118.843      7.622       536997 
      N142ND2-N-H    112.253    118.821      7.620       580745 
 N142ND2-ND2-HD21    112.053    112.043      7.719     17975648 
 N142ND2-ND2-HD22    112.083    112.077      7.017     19356458 
    L144N-E145N-H    123.691    121.840      8.402       445074 
    E145N-L144N-H    121.808    123.760      8.370       532527 
;

save_


save_NCH_noesy
   _Saveframe_category              spectral_peak_list

   _Details                         .
   _Experiment_label               '3D (N15)HSQC-NOESY-(C13)HSQC'
   _Number_of_spectral_dimensions   3

   loop_
      _Expt_dimension_ID
      _Atom_type
      _Spectral_region

      1 H 'all H' 
      2 C  methyl 
      3 N  all    

   stop_

   _Sample_label                   $SR10.026
   _Sample_conditions_label        $sample_conditions_1
   _Text_data_format                text
   _Text_data                      
;
      Assignment         w1         w2         w3   Data Height     Note    

            ?-?-?    119.042     22.356      0.699      1814778 L112N L112CD2 L112HD2 L112H/L140N L140CD2 L140HD2 L140H(QU=0.879)

            ?-?-?    129.695      9.435      0.423      2526405 C115N I116CD1 I116HD1 C115H/I116N I116CD1 I116HD1 I116H(QU=0.930)

            ?-?-?    118.068     22.392      0.431      7285673 L41N L129CD2 L129HD2 L41H/L129N L129CD2 L129HD2 L129H(QU=0.998)

            ?-?-?    119.010     22.347      0.676      1388566 L112N L112CD2 L112HD2 L112H/L140N L140CD2 L140HD2 L140H(QU=1.000)

            ?-?-?    118.252     24.891      0.221      3512502 L41N L41CD1 L41HD1 L41H/Y42N L41CD1 L41HD1 Y42H(QU=0.976)

            ?-?-?    118.926     22.392      0.431      1165489 K128N L129CD2 L129HD2 K128H/Y134N L129CD2 L129HD2 Y134H(QU=0.797)

            ?-?-?    121.312     22.683      0.883      2846556 E18N V19CG2 V19HG2 E18H/D44N V46CG2 V46HG2 D44H/K49N

            ?-?-?    119.792     21.584      0.744      3033289 N13N L12CD2 L12HD2 N13H/V46N L12CD2 L12HD2 V46H(QU=0.918)

            ?-?-?    119.026     24.894      0.221       943740 L51N L41CD1 L41HD1 L51H/L140N L41CD1 L41HD1 L140H(QU=0.846)

            ?-?-?    124.315     22.902      0.896      4577326 
            ?-?-?    111.733     22.326      0.706      5026788 N104ND2 L112CD2 L112HD2 N104HD21/N104ND2 L112CD2 L112HD2 N104HD22(QU=0.793)

            ?-?-?    120.231     22.260      0.703      1802472 N104N L112CD2 L112HD2 N104H/R113N L112CD2 L112HD2 R113H(QU=0.990)

            ?-?-?    116.331     13.811      0.820      1287571 N13ND2 I9CD1 I9HD1 N13HD21/N13ND2 I9CD1 I9HD1 N13HD22(QU=0.979)

            ?-?-?    116.223     21.601      0.744      1073289 N13ND2 L12CD2 L12HD2 N13HD21/N13ND2 L12CD2 L12HD2 N13HD22(QU=0.915)

            ?-?-?    111.484     14.923      0.924      8115672 Q16NE2 I45CD1 I45HD1 Q16HE21/Q16NE2 I45CD1 I45HD1 Q16HE22(QU=0.642)

            ?-?-?    116.280     21.450      0.919       890031 N13ND2 V46CG1 V46HG1 N13HD21/N13ND2 V46CG1 V46HG1 N13HD22(QU=0.971)

            ?-?-?    118.382     13.243      0.394      1339647 
            ?-?-?    107.993     22.694      0.876      1080927 G24N V19CG2 V19HG2 G24H/S47N V46CG2 V46HG2 S47H(QU=0.926)

            ?-?-?    119.591     22.849      0.881      2303276 
            ?-?-?    117.987     22.941      0.894      1685526 Q16N V19CG2 V19HG2 Q16H/V102N V90CG1 V90HG1 V102H(QU=0.999)

            ?-?-?    113.142     20.639      0.950      1538771 N23N V19CG1 V19HG1 N23H/A120N V19CG1 V19HG1 A120H(QU=0.972)

            ?-?-?    110.581     14.957      0.925      1462108 
            ?-?-?    118.009     20.840      0.683      4015872 
            ?-?-?    119.415     20.829      0.683      2378416 
            ?-?-?    127.096     20.827      0.680       725464 
            ?-?-?    113.446     25.918      1.043      1024210 N110ND2 L112CD1 L112HD1 N110HD21/N110ND2 L112CD1 L112HD1 N110HD22(QU=0.942)

            ?-?-?    118.307     20.079      0.520      4090136 L41N V124CG2 V124HG2 L41H/V43N V124CG2 V124HG2 V43H(QU=0.925)

            ?-?-?    118.111     25.127      1.082      2271542 L129N L138CD1 L138HD1 L129H/K130N L138CD1 L138HD1 K130H(QU=0.986)

            ?-?-?    108.017     22.655      0.883      1080927 G24N V19CG2 V19HG2 G24H/S47N V46CG2 V46HG2 S47H(QU=0.852)

            ?-?-?    124.328     21.053      0.522      1261374 
      I9N-CD1-HD1    119.053     13.837      0.821      1215298 
     L12N-CD2-HD2    121.445     21.585      0.744      2211644 
N13ND2-L12CD1-HD1    116.191     26.040      0.825      1507253 
     V19N-CG1-HG1    116.137     20.633      0.951      2860871 
     V19N-CG2-HG2    116.179     22.683      0.883      9704465 
  T20N-V19CG2-HG2    104.448     22.575      0.884      1307804 
  E26N-V19CG1-HG1    128.299     20.618      0.950      1460489 
  E26N-V19CG2-HG2    128.295     22.638      0.885      4404308 
 L41N-L129CD1-HD1    118.068     26.421      0.676      3193453 
  Y42N-L41CD2-HD2    118.128     24.185      0.508      4071692 
     V43N-CG1-HG1    118.459     19.875      0.077     10006847 
     V43N-CG2-HG2    118.471     18.192      0.691      9377737 
  D44N-V43CG1-HG1    121.347     19.890      0.076      1511870 
  D44N-V43CG2-HG2    121.439     18.208      0.692      1028349 
  D44N-V46CG2-HG2    121.590     22.987      0.896      1159057 
  D44N-L51CD1-HD1    121.332     27.207      0.783      1301523 
  D44N-L51CD2-HD2    121.319     23.639      0.629      1024191 
  D44N-L99CD2-HD2    121.327     23.650      0.689       445707 
 D44N-L121CD2-HD2    121.358     22.791      0.708      1015244 
  I45N-V43CG2-HG2    130.603     18.178      0.692      1218093 
 I45N-L121CD2-HD2    130.468     22.718      0.707       832229 
  V46N-I45CD1-HD1    119.759     14.943      0.922       922609 
     V46N-CG1-HG1    119.879     21.406      0.917      1405557 
  S47N-V46CG1-HG1    108.084     21.406      0.917      1136876 
  G48N-V46CG1-HG1    110.615     21.428      0.913       894899 
  G48N-V46CG2-HG2    110.574     22.651      0.883      1518210 
  L51N-L41CD2-HD2    119.053     24.223      0.515      1283577 
     L51N-CD2-HD2    119.017     23.601      0.630       858912 
  L51N-I71CD1-HD1    118.990     13.205      0.395      2078481 
  F52N-L41CD2-HD2    110.574     24.183      0.510      1023052 
  F52N-V43CG1-HG1    110.573     19.872      0.078      1211967 
  F52N-I71CD1-HD1    110.611     13.211      0.396      2195035 
     I71N-CD1-HD1    119.761     13.214      0.394      1501903 
  I71N-V75CG1-HG1    119.525     21.548      0.623       927439 
  I71N-V75CG2-HG2    119.644     21.063      0.524      1361189 
  E74N-V75CG1-HG1    115.968     21.532      0.621       855734 
  E74N-V75CG2-HG2    115.940     21.040      0.524      1988834 
     V75N-CG1-HG1    117.363     21.547      0.620      1075970 
     V75N-CG2-HG2    117.322     21.023      0.523      2306212 
  E76N-V75CG1-HG1    124.781     21.547      0.622      3878007 
  E76N-V75CG2-HG2    124.745     21.044      0.525      1473105 
  E76N-V90CG1-HG1    124.780     22.905      0.896      2212371 
  E76N-V90CG2-HG2    124.933     20.871      0.684      1194331 
     L79N-CD2-HD2    125.383     25.153      0.869      2027261 
  D80N-L79CD1-HD1    126.818     23.506      0.909     11230816 
  D80N-L79CD2-HD2    126.820     25.159      0.869      2126165 
     I86N-CD1-HD1    119.073     12.514      0.824      1786232 
  R87N-L79CD1-HD1    125.418     23.512      0.909      4880095 
  T88N-L79CD1-HD1    119.157     23.474      0.911       894105 
  E89N-L79CD1-HD1    129.315     23.507      0.913       811306 
     V90N-CG1-HG1    120.746     22.902      0.896      3035227 
     V90N-CG2-HG2    120.746     20.838      0.684      9232160 
 V90N-I116CD1-HD1    120.676      9.410      0.422       976449 
  R91N-V75CG1-HG1    124.405     21.519      0.624      3105507 
  R91N-V90CG2-HG2    124.315     20.838      0.684      2873267 
  R91N-L99CD1-HD1    124.364     27.284      0.722      1002103 
  S92N-L99CD2-HD2    114.855     23.619      0.694       849491 
     L99N-CD2-HD2    119.425     23.626      0.692      1015781 
 G100N-V90CG1-HG1    103.673     22.970      0.895      1065946 
 H101N-V90CG2-HG2    121.502     20.829      0.685      2661552 
H101N-I116CD1-HD1    121.510      9.445      0.423      2351825 
    V102N-CG1-HG1    118.008     19.180      0.464      7148566 
    V102N-CG2-HG2    118.042     21.461      0.068      2690333 
V102N-L112CD2-HD2    118.033     22.311      0.704       704857 
F103N-V102CG1-HG1    127.150     19.177      0.468      2127078 
F103N-V102CG2-HG2    127.190     21.456      0.063      5680762 
F103N-L112CD2-HD2    127.157     22.325      0.706      1474499 
R113N-V102CG1-HG1    120.213     19.240      0.466      1152943 
R113N-V102CG2-HG2    120.220     21.454      0.068      3095729 
 C115N-V90CG2-HG2    129.590     20.812      0.684      1453937 
 N117N-V19CG1-HG1    119.306     20.591      0.951      1486221 
N117N-I116CD1-HD1    119.380      9.438      0.422      1060110 
 A119N-V19CG1-HG1    121.269     20.638      0.950      1088758 
 A120N-V19CG2-HG2    113.081     22.626      0.884       930242 
A120N-L121CD1-HD1    113.149     24.229      0.628       838862 
A120N-L121CD2-HD2    112.993     22.705      0.707       981876 
    L121N-CD1-HD1    117.327     24.197      0.630      1292068 
    L121N-CD2-HD2    117.343     22.803      0.708      1347993 
 R122N-I45CD1-HD1    118.469     14.949      0.926       975383 
R122N-L121CD1-HD1    118.406     24.182      0.628      1570811 
R122N-L121CD2-HD2    118.434     22.795      0.708      3421124 
 V124N-V43CG1-HG1    130.659     19.867      0.079      2139797 
    V124N-CG1-HG1    130.697     20.918      0.564      1797701 
    V124N-CG2-HG2    130.672     20.092      0.520      5582788 
V124N-L129CD2-HD2    130.694     22.397      0.432      1759801 
K128N-V124CG1-HG1    118.746     20.905      0.569      1303885 
L129N-V124CG1-HG1    118.123     20.920      0.563      2917334 
L129N-V124CG1-HG1    118.123     20.920      0.563      2917334 
K130N-L138CD2-HD2    118.092     24.515      1.001      3301017 
Y134N-L138CD2-HD2    118.808     24.522      0.993       882580 
Y134N-L138CD2-HD2    118.842     24.563      1.000       954064 
    L138N-CD1-HD1    120.888     25.110      1.082      1312166 
    L138N-CD2-HD2    120.930     24.525      0.999      1173858 
;

save_


save_N15_noesy
   _Saveframe_category              spectral_peak_list

   _Details                         .
   _Experiment_label               '3D 1H-15N NOESY'
   _Number_of_spectral_dimensions   3

   loop_
      _Expt_dimension_ID
      _Atom_type
      _Spectral_region

      1 H 'all H' 
      2 N  all    
      3 H 'all H' 

   stop_

   _Sample_label                   $SR10.026
   _Sample_conditions_label        $sample_conditions_1
   _Text_data_format                text
   _Text_data                      
;
      Assignment         w1         w2         w3   Data Height     Note    

            ?-?-?      0.038    120.832      8.913       536177 
            ?-?-?      0.043    127.196      8.974       793069 
  V102HG2-Y114N-H      0.047    128.248     10.066       201198 
  V102HG2-C115N-H      0.057    129.675      9.390       248897 
      V102HG2-N-H      0.058    118.056      8.234       787610 
  V102HG2-F103N-H      0.068    127.279      9.038      1278365 
  V102HG2-Y114N-H      0.068    128.159     10.084       214016 
  V102HG2-R113N-H      0.069    120.224      8.823       966311 
    V43HG1-F52N-H      0.074    110.678      7.731       333557 
    V43HG1-D44N-H      0.075    121.440      8.578       473879 
    V43HG1-L51N-H      0.075    119.032      8.048       435143 
       V43HG1-N-H      0.077    118.531      9.183      1116551 
    V43HG1-K49N-H      0.077    120.978      7.853       107338 
            ?-?-?      0.077    118.521      8.921       801352 
   V43HG1-V124N-H      0.078    130.861      8.508       555339 
    V43HG1-Y42N-H      0.087    118.395      8.960       468270 
    V43HG1-L41N-H      0.088    118.177      8.003       217616 
   L41HD1-V124N-H      0.190    130.875      8.509       208909 
    L41HD1-L51N-H      0.209    119.102      8.048       251086 
    L41HD1-F52N-H      0.210    110.743      7.730       260637 
       L41HD1-N-H      0.217    118.138      8.004       496417 
   L41HD1-Y137N-H      0.217    117.230      8.125       150959 
    L41HD1-Y42N-H      0.218    118.400      8.962       702406 
       I71HD1-N-H      0.395    119.806      7.459       439974 
    I71HD1-F52N-H      0.415    110.658      7.731       567980 
    I71HD1-L51N-H      0.419    119.040      8.048       502075 
      I116HD1-N-H      0.422    129.797      8.580       368129 
  L129HD2-L138N-H      0.430    120.929      7.789       176235 
  I116HD1-G100N-H      0.432    103.766      6.643       276252 
  I116HD1-H101N-H      0.435    121.606      8.538       686375 
            ?-?-?      0.435    129.677      9.388       687902 V102HG1-C115N-C115H/I116HD1-C115N-C115H(QU=0.975)

  L129HD2-K128N-H      0.445    118.868      7.533       573433 
   L129HD2-L41N-H      0.450    118.136      8.003      1826922 
      L129HD2-N-H      0.455    118.092      7.174       687448 
  L129HD2-E131N-H      0.455    120.989      8.691       175502 
  L129HD2-H127N-H      0.457    113.009      8.279       151729 
   V102HG1-V90N-H      0.458    120.762      8.092       464099 
   I116HD1-L99N-H      0.459    119.497      7.723       172829 
  L129HD2-Y137N-H      0.462    117.298      8.125       196776 
            ?-?-?      0.463    127.237      8.975       358752 
   V102HG1-K78N-H      0.465    121.992      8.978       236946 
      V102HG1-N-H      0.465    118.052      8.234      2627031 
  V102HG1-F103N-H      0.465    127.273      9.038       541811 
            ?-?-?      0.466    120.853      8.913       192673 
            ?-?-?      0.467    119.350      9.454       505184 
            ?-?-?      0.467    119.362      7.725       185128 
  V102HG1-R113N-H      0.469    120.215      8.822       402637 
  L129HD2-K126N-H      0.470    120.549      7.994       323392 
            ?-?-?      0.473    118.823      8.616       224092 
            ?-?-?      0.476    124.327      8.993       366663 
            ?-?-?      0.476    122.452      8.457       152697 
            ?-?-?      0.506    112.295      9.366       205647 
    L41HD2-S54N-H      0.508    113.887      9.035       425803 
    L41HD2-Y42N-H      0.510    118.401      8.961      1149836 
            ?-?-?      0.510    118.165      8.003      1780069 
   V124HG2-V43N-H      0.523    118.520      9.182       668234 
  V124HG2-F123N-H      0.523    125.279      7.900       266366 
      V124HG2-N-H      0.524    130.846      8.508      2634294 
    L41HD2-L51N-H      0.526    119.103      8.048       453532 
            ?-?-?      0.528    119.423      7.452       702636 
            ?-?-?      0.529    118.495      8.925       661805 
       V75HG2-N-H      0.540    117.449      7.752       695478 
            ?-?-?      0.541    104.592      7.419       174731 
  V124HG1-E132N-H      0.543    115.245      7.649       409544 
  V124HG1-L129N-H      0.544    118.071      7.174       685950 
    V75HG2-E73N-H      0.546    115.889      8.818       323058 
    V75HG2-E74N-H      0.546    116.031      7.566       588918 
    V75HG2-I71N-H      0.547    119.727      7.458       921893 
  V124HG1-K128N-H      0.548    118.886      7.531       659152 
  V124HG1-H127N-H      0.558    113.002      8.278       180690 
            ?-?-?      0.610    121.000      8.687       175938 
    V75HG1-E76N-H      0.631    124.866      9.181      1824081 
            ?-?-?      0.633    123.457      8.713       226616 
    V75HG1-E77N-H      0.641    122.339      8.457       346180 
            ?-?-?      0.660    124.264      8.992      1577619 
            ?-?-?      0.661    119.505      7.461       738156 
      L129HD1-N-H      0.661    118.092      7.173       615282 
  L129HD1-H127N-H      0.663    113.009      8.281       151677 
   L129HD1-L41N-H      0.666    118.158      8.005       884653 
            ?-?-?      0.670    119.806      7.457       626067 
  L129HD1-K126N-H      0.671    120.576      7.994       434717 
            ?-?-?      0.671    130.790      8.510       730839 
            ?-?-?      0.672    129.803      8.581       272234 
            ?-?-?      0.673    121.287     10.078       196336 
  L129HD1-Y137N-H      0.673    117.365      8.126       358274 
  L129HD1-L138N-H      0.676    120.913      7.789       426109 
      L140HD2-N-H      0.677    118.989      6.911       851235 
  L140HD2-F141N-H      0.678    114.049      7.612       467927 
  L129HD1-Y134N-H      0.679    118.868      8.617       153997 
  L121HD2-A120N-H      0.680    113.125      7.356       634583 
   V43HG2-F123N-H      0.680    125.356      7.902       307509 
            ?-?-?      0.681    119.015      8.048       849727 
            ?-?-?      0.682    110.669      7.732       749684 
  L129HD1-K128N-H      0.682    118.895      7.533       660211 
       V90HG2-N-H      0.683    120.760      8.091      2626802 
   V90HG2-C115N-H      0.683    129.628      9.390       669953 
   V90HG2-H101N-H      0.684    121.681      8.543      1126694 
            ?-?-?      0.685    118.055      8.234      1069418 
      L121HD2-N-H      0.686    117.330      8.290       880870 
   V90HG2-G100N-H      0.686    103.783      6.645      1432127 
   L112HD2-T88N-H      0.688    119.327      9.458       158893 
       V43HG2-N-H      0.690    118.535      9.182      1732314 
            ?-?-?      0.690    118.507      8.920      2284091 V43HG2-R122N-R122H/L121HD2-R122N-R122H(QU=0.412)

       L99HD2-N-H      0.690    119.462      7.726      1351137 
    V90HG2-K78N-H      0.690    121.884      8.980       209296 
            ?-?-?      0.691    119.203      7.365       264287 
  L112HD2-G106N-H      0.693    106.642      8.085       163325 
    V43HG2-K49N-H      0.694    121.056      7.853       391712 
    V43HG2-D44N-H      0.696    121.438      8.576      1586784 
  L112HD2-F103N-H      0.696    127.305      9.038       350889 
            ?-?-?      0.696    118.395      8.960       721732 
    L99HD1-S92N-H      0.699    114.915      9.082      1415948 
            ?-?-?      0.699    112.757      7.909       476520 
    V43HG2-G48N-H      0.701    110.652      8.563       370907 
  L112HD2-R113N-H      0.704    120.274      8.831       921413 
L112HD2-N104ND2-HD22      0.708    111.774      6.889       785307 
L112HD2-N104ND2-HD21      0.708    111.811      7.562       857061 
            ?-?-?      0.713    127.223      8.976       200888 
    V43HG2-I45N-H      0.715    130.562      8.443       803511 
  L121HD2-N117N-H      0.716    119.125      7.580       419471 
            ?-?-?      0.725    120.891      8.912       355631 
    L12HD2-S47N-H      0.742    108.056      7.217       216688 
            ?-?-?      0.745    121.476      7.283      1320602 
            ?-?-?      0.754    120.504      8.861       274360 
            ?-?-?      0.769    119.862      8.851      1288443 L12HD2-N13N-N13H/L12HD2-V46N-V46H(QU=0.614)

            ?-?-?      0.778    112.263      7.592       509234 
       I86HD1-N-H      0.838    119.140      8.117       507911 
       L12HD1-N-H      0.840    121.445      7.282       852772 
            ?-?-?      0.845    122.689      9.163       685547 
I9HD1-N13ND2-HD22      0.849    116.362      7.198       746667 
        I9HD1-N-H      0.850    119.176      8.648       782210 
            ?-?-?      0.852    114.853      9.079       301087 
I9HD1-N13ND2-HD21      0.856    116.319      8.340       593310 
      L140HD1-N-H      0.859    118.995      6.912       675874 
            ?-?-?      0.861    117.826      8.838       291974 L12HD1-Q16N-Q16H/V19HG2-Q16N-Q16H(QU=0.533)

  L140HD1-F141N-H      0.861    114.020      7.610       328643 
    V46HG2-K49N-H      0.869    120.978      7.851       273345 
            ?-?-?      0.870    119.733      8.141       417172 
    V46HG2-S97N-H      0.871    112.774      7.913       166004 
            ?-?-?      0.877    122.013      8.400       227216 L144HD1-E145N-E145H/L144HD2-E145N-E145H(QU=0.618)

            ?-?-?      0.882    119.875      8.837      1645402 V46HG1-V46N-V46H/V46HG2-V46N-V46H(QU=0.981)

    V46HG2-I45N-H      0.882    130.557      8.444       677503 
            ?-?-?      0.882    114.471      6.847       490920 
    V19HG2-T20N-H      0.884    104.398      7.713      1056785 
            ?-?-?      0.888    121.332      8.935      1113998 
    V90HG1-E76N-H      0.890    124.846      9.181       732113 
    V19HG2-M15N-H      0.891    120.095      8.350       208079 
       V90HG1-N-H      0.891    120.773      8.092      1050074 
    V90HG1-R91N-H      0.892    124.255      8.991      1298112 
   V90HG1-V102N-H      0.892    118.043      8.234       468570 
    V46HG2-S47N-H      0.893    108.145      7.215       753232 
    V46HG2-G48N-H      0.893    110.680      8.563       650280 
            ?-?-?      0.893    103.793      6.645       507538 
       V19HG2-N-H      0.894    116.233      8.634      2926193 
       L79HD1-N-H      0.894    125.409      8.600      1232594 
   I45HD1-R122N-H      0.894    118.613      8.931       358578 
            ?-?-?      0.895    119.435      7.726       448528 
            ?-?-?      0.895    121.567      8.539       379760 
   V90HG1-C115N-H      0.895    129.735      9.391       268758 
    V90HG1-E77N-H      0.896    122.462      8.458       214858 
    L79HD1-T88N-H      0.896    119.340      9.452       327786 
            ?-?-?      0.897    110.609      7.809       792410 
    V90HG1-K78N-H      0.897    121.980      8.978       443597 
            ?-?-?      0.897    129.371      9.399       631722 L79HD1-E89N-E89H/V90HG1-E89N-E89H(QU=0.945)

    L79HD1-R87N-H      0.898    125.500      8.769      1264686 
    V19HG2-E26N-H      0.899    128.252      8.762      1632838 
            ?-?-?      0.901    113.064      7.110       374160 
    L79HD1-D80N-H      0.901    126.949      9.324      2956931 
V19HG2-W64NE1-HE1      0.901    131.939      9.925       182190 
    V19HG1-G24N-H      0.912    108.086      8.596       633559 
   V19HG1-A119N-H      0.919    121.265     10.076       475704 
            ?-?-?      0.925    111.456      7.860       488092 I45HD1-Q16NE2-Q16HE22/V46HG1-Q16NE2-Q16HE22(QU=0.487)

            ?-?-?      0.926    117.348      8.289       608346 
            ?-?-?      0.926    111.468      6.789       540167 I45HD1-Q16NE2-Q16HE21/V46HG1-Q16NE2-Q16HE21(QU=0.609)

   V19HG1-A120N-H      0.931    113.125      7.355       768535 
   V19HG1-N117N-H      0.932    119.263      7.579       855859 
V19HG1-N117ND2-HD21      0.935    115.585      7.809       191394 
V19HG1-N117ND2-HD22      0.938    115.480      6.670       256575 
            ?-?-?      1.018    111.946      7.715       163551 
            ?-?-?      1.022    113.946      7.615       292617 
  L138HD2-L129N-H      1.023    118.061      7.173       386636 
            ?-?-?      1.026    121.000      8.689       297058 
            ?-?-?      1.034    112.130      7.714       163551 
      L112HD1-N-H      1.041    119.216      7.466       293064 
  L112HD1-F103N-H      1.042    127.304      9.036       156492 
L112HD1-N110ND2-HD21      1.042    113.473      7.988       499742 
  L138HD1-K130N-H      1.043    118.220      8.895       713585 
L112HD1-N110ND2-HD22      1.043    113.477      7.647       417630 
L112HD1-N104ND2-HD21      1.046    111.792      7.559       190741 
      L138HD1-N-H      1.048    120.924      7.789       649558 
  L112HD1-R113N-H      1.048    120.274      8.822       247745 
            ?-?-?      1.050    118.855      7.535       414778 
  L138HD1-Y137N-H      1.050    117.300      8.125       396683 
  L138HD1-E132N-H      1.059    115.278      7.650       152430 
            ?-?-?      1.065    112.908      7.155       161748 
            ?-?-?      1.067    121.008      8.687       287947 
            ?-?-?      1.072    112.720      7.838       153300 
  L138HD1-E135N-H      1.088    122.366      9.076       177245 
            ?-?-?      4.805    111.495      9.571       301561 
            ?-?-?      4.807    111.534      9.613       494517 
     S54HG-K55N-H      5.070    122.002      7.658       336604 
            ?-?-?      5.076    115.546      7.367       417925 S54HG-D56N-D56H/D56HD2-D56N-D56H(QU=0.536)

     S54HG-K57N-H      5.076    124.686      7.483       235144 
            ?-?-?      5.083    111.524      9.611       198013 
      E38H-K37N-H      5.262    124.220      8.520       528533 
            ?-?-?      5.262    112.776      7.912       172893 
         E38H-N-H      5.263    117.039      5.261      1835229 
     S47HG-K49N-H      6.016    121.024      7.852       181269 
    D35HD2-E32N-H      6.023    117.704      9.581       228821 
    D35HD2-W34N-H      6.023    123.138      7.648       330671 
   S118HG-A119N-H      6.023    121.216     10.076       160454 
    D35HD2-Y33N-H      6.030    108.510      8.869       276393 
            ?-?-?      6.326    119.178      7.366       189180 
            ?-?-?      6.331    112.777      7.911       284326 
            ?-?-?      6.336    114.903      9.084       311196 
            ?-?-?      6.566    123.197      8.984       276538 
    G100H-H101N-H      6.644    121.680      8.539       182262 
     G100H-L99N-H      6.645    119.471      7.725      1376023 
        G100H-N-H      6.646    103.785      6.645      1793751 
     G100H-V90N-H      6.647    120.740      8.091       670489 
     N117HD22-N-H      6.666    119.307      7.579       790045 
            ?-?-?      6.669    115.324      6.671       271136 
            ?-?-?      6.729    110.222      7.547       909887 
      H36H-W34N-H      6.731    123.113      7.649       187540 
            ?-?-?      6.731    110.136      6.724      1116594 
      H36H-D35N-H      6.732    119.446      7.074       654200 
         H36H-N-H      6.732    121.387      6.730       805147 
            ?-?-?      6.738    120.086      8.351       160924 
            ?-?-?      6.740    117.667      8.845       180992 
   Q16HE21-V46N-H      6.764    119.864      8.858       366567 
 Q16HE21-NE2-HE22      6.782    111.520      7.860       800771 
 Q16HE21-NE2-HE21      6.788    111.412      6.790      1139293 
            ?-?-?      6.839    113.687      7.373      1502932 
      N22H-Q21N-H      6.848    116.186      8.617       940754 
      N22H-T20N-H      6.848    104.380      7.715       236733 
         N22H-N-H      6.848    114.283      6.847      1809065 
      N22H-N23N-H      6.849    113.096      7.110      1122017 
            ?-?-?      6.849    111.928      6.847      7379884 
      N22H-G24N-H      6.850    108.090      8.595       729088 
      Q30H-N31N-H      6.854    113.675      7.401       848693 
         Q30H-N-H      6.859    121.821      6.858      1270271 
      Q30H-F29N-H      6.861    114.349      8.172       359434 
N104HD22-ND2-HD21      6.865    111.888      7.558     13080234 
            ?-?-?      6.871    112.378      7.605       750012 
            ?-?-?      6.889    111.771      6.891     11197269 N22HD22-N22ND2-N22HD22/N104HD22-N104ND2-N104HD22(QU=0.953)

 N22HD22-ND2-HD21      6.895    111.761      8.112      4938431 
            ?-?-?      6.895    112.990      7.677      7615194 
            ?-?-?      6.895    112.965      6.893      8441345 
    L140H-F141N-H      6.909    114.047      7.611      1429652 
        L140H-N-H      6.911    118.983      6.910      2551700 
            ?-?-?      6.991    112.378      7.601      1115241 
            ?-?-?      6.994    112.757      7.607      2430657 
N142HD22-ND2-HD22      7.011    112.286      7.013      5104688 
N142HD22-ND2-HD21      7.016    112.110      7.717      3485817 
N142HD22-ND2-HD22      7.026    112.130      7.017      4168999 
         D35H-N-H      7.075    119.453      7.075      1227824 
      D35H-H36N-H      7.075    121.406      6.731       630854 
      D35H-W34N-H      7.078    123.102      7.648       349625 
      N23H-G24N-H      7.113    108.088      8.596      1200092 
         N23H-N-H      7.114    113.097      7.111      1908082 
      N23H-N22N-H      7.116    114.469      6.848      1033688 
      N23H-Q21N-H      7.127    116.186      8.618       646386 
            ?-?-?      7.157    112.822      7.839      1242607 
         K69H-N-H      7.162    113.392      7.162      1998861 
      K69H-T68N-H      7.165    113.728     10.033       703817 
            ?-?-?      7.167    112.861      7.155      1657786 
            ?-?-?      7.171    104.451      7.716       207024 
    L129H-H127N-H      7.172    112.969      8.281       471124 
    L129H-K128N-H      7.173    118.868      7.531      1893524 
    L129H-K126N-H      7.173    120.529      7.994       232061 
        L129H-N-H      7.173    118.088      7.174      2515760 
    L129H-K130N-H      7.173    118.240      8.894       860956 
    L129H-E131N-H      7.175    121.030      8.689       344182 
            ?-?-?      7.193    113.593     10.106       365427 
 N13HD22-ND2-HD22      7.197    116.362      7.202       441755 
            ?-?-?      7.204    116.601      8.341       220046 N13HD22-N13ND2-N13HD21/N13HD22-R14N-R14H(QU=0.625)

      S47H-I45N-H      7.212    130.534      8.445       234802 
      S47H-K49N-H      7.214    121.039      7.853       414534 
            ?-?-?      7.214    113.892      9.038       317578 
         S47H-N-H      7.216    108.145      7.217       711906 
      S47H-G48N-H      7.216    110.661      8.564       909926 
            ?-?-?      7.217    119.879      8.834       613295 N13HD22-N13N-N13H/S47H-V46N-V46H(QU=0.994)

            ?-?-?      7.219    112.272      9.367       482833 
            ?-?-?      7.221    122.078      7.661       168421 
       L12H-I9N-H      7.275    119.147      8.649       193010 
      L12H-K10N-H      7.284    118.805      7.588       532970 
      L12H-S11N-H      7.285    112.310      7.595      1441676 
         L12H-N-H      7.285    121.474      7.284      3662915 
      L12H-N13N-H      7.289    119.795      8.861       190844 
            ?-?-?      7.302    121.904      6.856       291642 
            ?-?-?      7.324    114.306      8.171       342295 
      M85H-G84N-H      7.343    105.074      8.658       942913 
         M85H-N-H      7.343    118.280      7.343      2879740 
    A120H-L121N-H      7.355    117.352      8.290      1441449 
    A120H-A119N-H      7.355    121.254     10.076       578326 
      D96H-S97N-H      7.364    112.764      7.909       403317 
        A120H-N-H      7.364    113.111      7.357      2338832 
      D96H-A95N-H      7.365    118.611      7.886       185442 
         D96H-N-H      7.365    119.069      7.363      1170545 
      D56H-K55N-H      7.370    121.993      7.659       488191 
      D96H-S92N-H      7.371    114.933      9.083       263717 
            ?-?-?      7.372    113.810      6.839      1298081 
      D56H-S54N-H      7.374    113.909      9.037       274171 
      D56H-K57N-H      7.378    124.717      7.485       937659 
         D56H-N-H      7.381    115.589      7.367      1025044 
      N31H-Q30N-H      7.391    121.818      6.857       658088 
         N31H-N-H      7.392    113.643      7.396      3225455 
  N31H-W34NE1-HE1      7.403    131.166     10.003       282074 
        G133H-N-H      7.421    104.552      7.420      2086544 
    G133H-E132N-H      7.422    115.216      7.650      1372186 
    G133H-Y134N-H      7.422    118.866      8.615      1408565 
            ?-?-?      7.422    122.321      9.074       603776 
    G133H-E131N-H      7.425    121.051      8.689       438383 
         I71H-N-H      7.462    119.640      7.460      6241498 
    L112H-G111N-H      7.466    107.891      7.847       650374 
      K57H-D56N-H      7.469    115.659      7.367       822573 
        L112H-N-H      7.471    119.189      7.466      4688081 
         G63H-N-H      7.477    104.773      7.479       332453 
         K57H-N-H      7.478    124.722      7.484      1718721 
      K57H-K55N-H      7.481    121.904      7.659       316452 
      G63H-W64N-H      7.495    120.736      7.755       321844 
    K128H-K126N-H      7.530    120.544      7.995       351298 
    K128H-H127N-H      7.533    112.954      8.281       694634 
    K128H-L129N-H      7.533    118.083      7.174      1546196 
        K128H-N-H      7.537    118.878      7.535      3736189 
            ?-?-?      7.538    108.095      8.097       484020 
            ?-?-?      7.540    114.270      7.553       249621 
            ?-?-?      7.542    110.098      7.542       871980 
            ?-?-?      7.546    104.945      7.543       156207 
            ?-?-?      7.548    110.221      6.723       852140 
    K128H-K130N-H      7.550    118.190      8.894       413902 
            ?-?-?      7.557    119.867      8.859       303526 K10H-N13N-N13H/S11H-N13N-N13H(QU=0.524)

            ?-?-?      7.558    111.948      6.846      7378096 
N104HD21-ND2-HD22      7.560    111.833      6.887      6759936 
N104HD21-ND2-HD21      7.560    111.881      7.559     15687208 
      E74H-E73N-H      7.565    115.911      8.818      1002052 
      E74H-V75N-H      7.566    117.460      7.750       621120 
         E74H-N-H      7.567    116.052      7.566      1384991 
   N117H-ND2-HD22      7.578    115.439      6.671       234044 
        N117H-N-H      7.584    119.380      7.581      2912362 
         K10H-N-H      7.588    118.919      7.585      4213248 
            ?-?-?      7.591    118.146      7.925       325093 
       K10H-K8N-H      7.591    119.772      8.141       669840 
       K10H-I9N-H      7.593    119.182      8.648      1475174 
            ?-?-?      7.594    117.412      8.287       186777 
      S11H-L12N-H      7.594    121.473      7.284      2006883 
         S11H-N-H      7.597    112.426      7.601      5185570 
            ?-?-?      7.609    112.741      7.004      2143372 
    F141H-L140N-H      7.612    118.992      6.910      1302192 
        F141H-N-H      7.614    114.006      7.612      2614109 
        N142H-N-H      7.615    118.932      7.620       548398 
         W34H-N-H      7.647    123.086      7.648       773997 
    E132H-E131N-H      7.647    121.036      8.689      1371430 
            ?-?-?      7.647    122.349      9.076       252539 
N110HD22-ND2-HD21      7.647    113.496      7.988      1458362 
      W34H-Y33N-H      7.648    108.552      8.867       322094 
        E132H-N-H      7.648    115.227      7.650      2997641 
    E132H-Y134N-H      7.649    118.751      8.616       783155 
    E132H-G133N-H      7.650    104.563      7.420      1181448 
      K55H-G40N-H      7.651    112.262      9.366       180441 
      W34H-E32N-H      7.652    117.703      9.581       169756 
      W34H-D35N-H      7.652    119.441      7.073       265770 
N110HD22-ND2-HD22      7.654    113.561      7.646      2323047 
         K55H-N-H      7.656    121.991      7.658       781550 
      K55H-D56N-H      7.656    115.522      7.366       663628 
      K55H-S54N-H      7.658    113.918      9.037       663960 
      K55H-K57N-H      7.658    124.747      7.485       400590 
            ?-?-?      7.669    114.306      8.170       351929 
            ?-?-?      7.670    121.828      6.858       369050 
            ?-?-?      7.677    112.996      6.892      7407608 
            ?-?-?      7.678    112.977      7.677      8616616 
      W34H-N31N-H      7.681    113.634      7.403       457649 
            ?-?-?      7.682    106.212      7.784       655775 
            ?-?-?      7.705    119.057      7.683      1019709 
      T20H-N23N-H      7.715    113.097      7.110       333462 
         T20H-N-H      7.716    104.391      7.715       786274 
      L99H-H98N-H      7.716    123.297      8.985       200820 
      T20H-N22N-H      7.717    114.510      6.848       489636 
N142HD21-ND2-HD22      7.717    112.129      7.017      3323789 
            ?-?-?      7.718    116.188      8.624      1038253 T20H-V19N-V19H/T20H-Q21N-Q21H(QU=0.756)

      T20H-E18N-H      7.719    121.262      8.930       304329 
N142HD21-ND2-HD21      7.719    112.114      7.718      3576582 
            ?-?-?      7.727    120.758      8.091       412795 
     L99H-G100N-H      7.728    103.794      6.645      1375267 
      F52H-Y42N-H      7.730    118.398      8.963       880986 
      F52H-L51N-H      7.731    119.057      8.048      1676038 
         F52H-N-H      7.732    110.647      7.732      2373764 
            ?-?-?      7.732    119.497      7.729      2515153 L99H-L99N-L99H/D105H-D105N-D105H(QU=0.330)

            ?-?-?      7.742    119.196      7.749      2317824 L99H-L99N-L99H/D105H-D105N-D105H(QU=0.985)

      F52H-I71N-H      7.745    119.681      7.459       228762 
         V75H-N-H      7.751    117.471      7.752       886898 
      V75H-E76N-H      7.752    124.883      9.186       166097 
      V75H-E73N-H      7.755    115.910      8.817       532572 
      V75H-E74N-H      7.755    116.043      7.567       856374 
      W64H-G63N-H      7.756    104.826      7.480       202296 
    D105H-G106N-H      7.756    106.639      8.086      1049460 
            ?-?-?      7.762    108.070      8.598       200121 
         W64H-N-H      7.763    120.766      7.750       807883 
            ?-?-?      7.772    106.130      7.784      1126410 
    D105H-R113N-H      7.777    120.218      8.822       247168 
        L138H-N-H      7.788    120.914      7.787      2378183 
    L138H-Y137N-H      7.790    117.271      8.126      1451717 
     N117HD21-N-H      7.804    119.292      7.580       606039 
      T25H-E26N-H      7.805    128.281      8.765       271285 
         T25H-N-H      7.810    110.591      7.809      4921024 
            ?-?-?      7.841    112.866      7.155      1102320 
            ?-?-?      7.842    112.789      7.840      1392046 
    G111H-L112N-H      7.846    119.237      7.467       496717 
    G111H-N110N-H      7.847    113.969      8.375       243830 
        G111H-N-H      7.850    107.880      7.847      1325727 
      K49H-D44N-H      7.851    121.391      8.577       329004 
   Q16HE22-V46N-H      7.852    119.903      8.850       285844 
      K49H-G48N-H      7.853    110.660      8.564       791580 
         K49H-N-H      7.854    121.053      7.853      2077700 
      K49H-S47N-H      7.858    108.130      7.216       235257 
 Q16HE22-NE2-HE22      7.858    111.322      7.859      1079615 
 Q16HE22-NE2-HE21      7.859    111.527      6.788       767183 
            ?-?-?      7.862    110.063      6.724       160690 
            ?-?-?      7.863    110.185      7.545       186480 
         A95H-N-H      7.887    118.658      7.886       214837 
            ?-?-?      7.899    119.208      7.365       807749 A95H-D96N-D96H/S97H-D96N-D96H(QU=0.782)

        F123H-N-H      7.903    125.352      7.902      3864625 
      S97H-S92N-H      7.907    114.918      9.083       790718 
         S97H-N-H      7.908    112.783      7.910       837921 
        E7H-E6N-H      7.926    117.560      8.283      1080213 
        E7H-K8N-H      7.928    119.768      8.141      1359400 
          E7H-N-H      7.929    118.136      7.925      2315155 
        E7H-I9N-H      7.930    119.168      8.649       456264 
N110HD21-ND2-HD22      7.988    113.459      7.648      1279351 
N110HD21-ND2-HD21      7.989    113.423      7.988      1653380 
        K126H-N-H      7.995    120.524      7.994      6173444 
    K126H-H127N-H      7.995    112.944      8.280       639226 
      L41H-G40N-H      8.003    112.266      9.364       292881 
    K126H-L129N-H      8.005    118.095      7.172       155832 
         L41H-N-H      8.006    118.121      8.005      4995808 
     L41H-V124N-H      8.006    130.849      8.509      1712217 
            ?-?-?      8.038    118.390      8.962       728505 L41H-Y42N-Y42H/L51H-Y42N-Y42H(QU=0.935)

      L51H-F52N-H      8.049    110.659      7.732      1675216 
      L51H-D44N-H      8.053    121.421      8.574       202429 
         S60H-N-H      8.053    117.386      8.053      1136018 
         L51H-N-H      8.054    119.034      8.049      2394851 
        G106H-N-H      8.087    106.607      8.086      1770434 
    G106H-D105N-H      8.088    119.222      7.747      1168422 
            ?-?-?      8.089    118.882      7.539       520006 
    G106H-R113N-H      8.089    120.226      8.827       217387 
      V90H-R91N-H      8.092    124.236      8.992       157207 
      V90H-E89N-H      8.093    129.268      9.402       159273 
         V90H-N-H      8.094    120.751      8.091      3021598 
     V90H-G100N-H      8.096    103.790      6.646       641017 
            ?-?-?      8.096    120.766      7.750       181568 
            ?-?-?      8.097    108.154      8.095       718234 
            ?-?-?      8.098    118.657      8.766       247223 
 N22HD21-ND2-HD21      8.113    111.707      8.112      5676423 
 N22HD21-ND2-HD22      8.113    111.775      6.894      5254056 
      I86H-R87N-H      8.117    125.482      8.766       236432 
         I86H-N-H      8.118    119.063      8.117      9715457 
            ?-?-?      8.118    113.322      6.892       154711 
      I86H-M85N-H      8.124    118.282      7.344       173673 
        Y137H-N-H      8.125    117.275      8.126      2321278 
    Y137H-L138N-H      8.125    120.922      7.789      1511682 
        K8H-E6N-H      8.130    117.509      8.285       375269 
       K8H-K10N-H      8.140    118.790      7.586       399974 
        K8H-E7N-H      8.144    118.162      7.925      1147554 
        K8H-I9N-H      8.145    119.189      8.649      1054553 
          K8H-N-H      8.148    119.795      8.139      2714503 
      F29H-Q30N-H      8.166    121.821      6.858       435987 
         F29H-N-H      8.169    114.332      8.171       664311 
      F29H-N31N-H      8.183    113.554      7.402       184470 
     V102H-E89N-H      8.234    129.500      9.393       219082 
      E72H-I71N-H      8.235    119.768      7.458       517914 
        V102H-N-H      8.236    118.042      8.234      3508272 
      E72H-E73N-H      8.237    115.890      8.817       615849 
    V102H-H101N-H      8.237    121.642      8.540       195749 
     V102H-T88N-H      8.238    119.324      9.454       583492 
         E72H-N-H      8.239    126.009      8.237      1020060 
        E6H-K8N-H      8.267    119.728      8.140       537705 
        H127H-N-H      8.282    112.937      8.280       801834 
        E6H-E7N-H      8.283    118.140      7.925      1201269 
    H127H-K128N-H      8.283    118.857      7.532       589692 
         S66H-N-H      8.284    119.069      8.281       749548 
        E6H-K5N-H      8.285    126.357      8.496       472093 
    H127H-K126N-H      8.285    120.534      7.994       763537 
    H127H-L129N-H      8.286    118.112      7.174       371894 
            ?-?-?      8.287    117.441      8.286      5196692 E6H-E6N-E6H/L121H-L121N-L121H(QU=0.972)

        E6H-I9N-H      8.287    119.208      8.650       168519 
    L121H-A120N-H      8.290    113.148      7.356      1644290 
    L121H-A119N-H      8.292    121.230     10.076       359456 
            ?-?-?      8.336    116.638      8.332      3981405 N13HD21-N13ND2-N13HD21/R14H-R14N-R14H(QU=0.997)

            ?-?-?      8.339    116.183      8.621       236242 
            ?-?-?      8.341    116.397      7.199       222250 N13HD21-N13ND2-N13HD22/R14H-N13ND2-N13HD22(QU=0.673)

      M15H-E18N-H      8.343    121.344      8.935       247504 
         M15H-N-H      8.346    120.102      8.350      3130642 
      M15H-Q16N-H      8.346    117.725      8.839      1229871 
      M15H-Y17N-H      8.346    122.693      9.163       599192 
            ?-?-?      8.355    119.779      8.857       347599 N13HD21-N13N-N13H/R14H-N13N-N13H(QU=0.692)

    N110H-G111N-H      8.381    107.881      7.849       303124 
            ?-?-?      8.391    123.624      8.394      2220138 
        E145H-N-H      8.403    121.996      8.401      2978224 
         S82H-N-H      8.414    118.442      8.417       249423 
            ?-?-?      8.420    118.729      8.940       457452 I45H-R122N-R122H/S82H-T81N-T81H(QU=0.814)

            ?-?-?      8.440    122.168      8.445      4423298 E77H-E77N-E77H/K143H-K143N-K143H(QU=0.998)

         I45H-N-H      8.451    130.572      8.445      2175280 
      I45H-V46N-H      8.457    119.887      8.834       490021 
            ?-?-?      8.460    122.408      8.458      8535201 E77H-E77N-E77H/K143H-K143N-K143H(QU=0.528)

      E77H-K78N-H      8.460    121.943      8.977       271617 
        K5H-E6N-H      8.493    117.546      8.285       539674 
          K5H-N-H      8.498    126.281      8.492       296735 
        K5H-E7N-H      8.501    118.136      7.925       214233 
     V124H-L41N-H      8.509    118.126      8.005      1782890 
        V124H-N-H      8.509    130.850      8.508      4901254 
      K37H-E38N-H      8.527    117.038      5.260       665874 
     V124H-V43N-H      8.530    118.489      9.182       170575 
         K37H-N-H      8.531    124.233      8.520       398550 
        G108H-N-H      8.532    109.384      8.528      2381904 
      G48H-V46N-H      8.535    119.875      8.833       467080 
        H101H-N-H      8.545    121.571      8.542      3375196 
            ?-?-?      8.546    129.699      9.387       994602 H101H-C115N-C115H/I116H-C115N-C115H(QU=0.631)

      G48H-S47N-H      8.565    108.147      7.216       580566 
         G48H-N-H      8.566    110.652      8.564      1789035 
            ?-?-?      8.567    107.234      8.568       609126 
            ?-?-?      8.570    121.060      7.853      1281455 D44H-K49N-K49H/G48H-K49N-K49H(QU=0.950)

         D44H-N-H      8.578    121.438      8.576      3851627 
         F67H-N-H      8.581    117.742      8.579      1063924 
     F67H-Y114N-H      8.581    128.158     10.085       509468 
      D44H-L51N-H      8.583    119.080      8.050       222693 
        I116H-N-H      8.583    129.818      8.580      2803704 
         G24H-N-H      8.600    108.063      8.596      3350464 
      L79H-K78N-H      8.600    121.850      8.975       298633 
         L79H-N-H      8.600    125.403      8.599      8702296 
            ?-?-?      8.606    113.109      7.111      1745758 Q21H-N23N-N23H/G24H-N23N-N23H(QU=0.944)

            ?-?-?      8.609    120.527      7.995       154265 
            ?-?-?      8.613    114.487      6.848      1642148 Q21H-N22N-N22H/G24H-N22N-N22H(QU=0.511)

      G24H-T25N-H      8.618    110.578      7.809       165982 
         E39H-N-H      8.618    119.471      8.615     10143527 
    Y134H-E135N-H      8.619    122.341      9.074      1229452 
            ?-?-?      8.626    104.403      7.714       893511 V19H-T20N-T20H/Q21H-T20N-T20H(QU=0.789)

    Y134H-G133N-H      8.627    104.566      7.421      1578177 
        Y134H-N-H      8.629    118.751      8.616      3636711 
            ?-?-?      8.631    116.163      8.617      2903484 V19H-V19N-V19H/Q21H-Q21N-Q21H(QU=0.968)

      V19H-E18N-H      8.634    121.349      8.936      1259262 
      V19H-Y17N-H      8.635    122.662      9.164       516415 
      V19H-Q16N-H      8.636    117.809      8.838       151537 
       I9H-L12N-H      8.642    121.533      7.285       173446 
            ?-?-?      8.650    116.233      8.637      2992691 V19H-V19N-V19H/Q21H-Q21N-Q21H(QU=0.487)

        I9H-E7N-H      8.651    118.134      7.926       491759 
       I9H-S11N-H      8.651    112.342      7.595       282591 
        I9H-K8N-H      8.652    119.780      8.141      1283642 
       I9H-K10N-H      8.652    118.790      7.586      1044865 
            ?-?-?      8.656    117.870      8.657       540953 
          I9H-N-H      8.658    119.208      8.650      2665429 
         G84H-N-H      8.659    105.075      8.658      1540815 
      G84H-M85N-H      8.660    118.291      7.343      1062971 
        I9H-E6N-H      8.662    117.637      8.288       208713 
    E131H-E132N-H      8.674    115.204      7.649      1764921 
    E131H-G133N-H      8.686    104.571      7.422      1142820 
    E131H-L129N-H      8.687    118.092      7.175       227070 
    E131H-K130N-H      8.687    118.230      8.895       950127 
        E131H-N-H      8.687    121.032      8.689      2963180 
         R93H-N-H      8.713    123.413      8.710       630080 
         D59H-N-H      8.734    121.037      8.735       289397 
            ?-?-?      8.750    118.609      8.765       187171 
      E26H-T25N-H      8.754    110.541      7.808       206344 
         E26H-N-H      8.761    128.246      8.762      2956729 
            ?-?-?      8.762    108.107      8.097       262704 
  E26H-W64NE1-HE1      8.764    131.823      9.923       455593 
      R87H-I86N-H      8.767    119.084      8.118       275425 
         R87H-N-H      8.769    125.502      8.769      2930924 
      R87H-D80N-H      8.770    126.956      9.325       761341 
      E73H-E74N-H      8.817    116.048      7.567       553046 
      E73H-E72N-H      8.820    125.993      8.234       190216 
         E73H-N-H      8.820    115.892      8.818      2436946 
      E73H-V75N-H      8.822    117.411      7.748       236301 
    R113H-F103N-H      8.826    127.290      9.039       814735 
      V46H-S47N-H      8.836    108.133      7.217       475602 
            ?-?-?      8.836    106.628      8.087       403058 N104H-G106N-G106H/R113H-G106N-G106H(QU=0.901)

    N104H-D105N-H      8.837    119.200      7.752       498479 
      V46H-G48N-H      8.839    110.663      8.563       518866 
            ?-?-?      8.844    120.973      7.854       229754 
            ?-?-?      8.844    119.879      8.833      4161306 N13H-N13N-N13H/V46H-V46N-V46H(QU=0.984)

      Q16H-M15N-H      8.846    120.115      8.350      1523422 
         Q16H-N-H      8.848    117.746      8.840      1835052 
      V46H-I45N-H      8.848    130.568      8.444       611738 
      N13H-R14N-H      8.849    116.648      8.331       563144 
            ?-?-?      8.854    119.880      8.855      5972624 N13H-N13N-N13H/V46H-V46N-V46H(QU=0.651)

            ?-?-?      8.855    110.148      6.723       159677 
      Y33H-E32N-H      8.869    117.639      9.576       290279 
        N104H-N-H      8.870    120.504      8.860      1230698 
      Y33H-W34N-H      8.872    123.128      7.647       391187 
         Y33H-N-H      8.873    108.529      8.866       415916 
            ?-?-?      8.890    118.246      8.898      3027887 R122H-R122N-R122H/K130H-K130N-K130H(QU=0.996)

    K130H-G133N-H      8.894    104.578      7.420       192850 
            ?-?-?      8.895    122.687      9.163      1522332 
    K130H-K128N-H      8.895    118.882      7.532       450714 
    K130H-L129N-H      8.896    118.078      7.174       727566 
    K130H-E132N-H      8.896    115.178      7.650       628118 
    K130H-E131N-H      8.897    121.032      8.688      1439062 
    K130H-Y134N-H      8.909    118.801      8.616       196778 
     R122H-D44N-H      8.911    121.355      8.580       205515 
            ?-?-?      8.921    119.017      7.680       342775 
    R122H-F123N-H      8.922    125.368      7.902       220451 
            ?-?-?      8.924    118.499      8.923      4815372 T81H-T81N-T81H/R122H-R122N-R122H/K130H-K130N-K130H(QU=0.207)

            ?-?-?      8.924    106.163      7.784       257971 
     R122H-V43N-H      8.926    118.531      9.182      1062255 
         E18H-N-H      8.932    121.267      8.930      3175949 
      E18H-V19N-H      8.936    116.243      8.636       848425 
      E18H-T20N-H      8.936    104.413      7.713       166013 
     Y42H-V124N-H      8.943    130.799      8.506       177352 
            ?-?-?      8.945    118.444      8.413       328447 T81H-S82N-S82H/H83H-S82N-S82H(QU=0.729)

            ?-?-?      8.945    118.776      8.940      2833646 T81H-T81N-T81H/R122H-R122N-R122H(QU=0.351)

            ?-?-?      8.949    120.801      8.911      1754386 
      H83H-M85N-H      8.956    118.322      7.350       154339 
      T81H-D80N-H      8.962    127.030      9.325       184414 
         Y42H-N-H      8.963    118.425      8.960      4862408 
      Y42H-L41N-H      8.964    118.201      8.005       221698 
      Y42H-L51N-H      8.964    119.038      8.049       516823 
      Y42H-F52N-H      8.964    110.653      7.732       810503 
      H83H-G84N-H      8.965    105.068      8.658       181863 
            ?-?-?      8.965    127.174      8.974      1479368 
         K78H-N-H      8.978    121.963      8.976      4275573 
      K78H-L79N-H      8.981    125.389      8.603       282809 
      K78H-E89N-H      8.981    129.304      9.403      1189921 
         H98H-N-H      8.983    123.361      8.982      3620008 
      R91H-V90N-H      8.987    120.858      8.091       246038 
      K78H-E77N-H      8.988    122.418      8.460       295607 
      R91H-E76N-H      8.991    124.870      9.181      1477995 
         R91H-N-H      8.997    124.315      8.991      3477944 
    F103H-V102N-H      9.004    118.047      8.234       203618 
      H98H-L99N-H      9.017    119.338      7.738       247518 
      S54H-D56N-H      9.031    115.575      7.368       247996 
      S54H-G40N-H      9.034    112.269      9.365       488748 
         S54H-N-H      9.036    113.901      9.036      1975630 
      S54H-K55N-H      9.039    122.017      7.656       464935 
        F103H-N-H      9.040    127.288      9.039      2143923 
    F103H-R113N-H      9.043    120.218      8.822      1003422 
    E135H-Y134N-H      9.075    118.871      8.615      1125321 
        E135H-N-H      9.075    122.340      9.074      2888706 
    E135H-G133N-H      9.076    104.553      7.421       515224 
            ?-?-?      9.082    115.201      7.649       231482 
      S92H-S97N-H      9.084    112.754      7.911       630681 
         S92H-N-H      9.085    114.910      9.083      2439858 
      S92H-D96N-H      9.085    119.173      7.365       306550 
      Y17H-V19N-H      9.158    116.260      8.635       286583 
            ?-?-?      9.162    119.784      8.857       239995 
      Y17H-M15N-H      9.163    120.099      8.349       514660 
         Y17H-N-H      9.163    122.689      9.163      1981271 
      Y17H-Q16N-H      9.164    117.752      8.841       756546 
      Y17H-E18N-H      9.164    121.337      8.935      1090805 
      Y17H-R14N-H      9.171    116.637      8.334       172575 
      V43H-D44N-H      9.183    121.441      8.577       172109 
      E76H-E77N-H      9.183    122.353      8.458       285836 
         E76H-N-H      9.184    124.861      9.181      3981060 
         V43H-N-H      9.185    118.537      9.182      1408296 
     V43H-R122N-H      9.185    118.504      8.920      1469314 
      E76H-R91N-H      9.185    124.279      8.992      1768861 
     V43H-V124N-H      9.186    130.883      8.509       182791 
      D80H-R87N-H      9.327    125.492      8.769       984307 
         D80H-N-H      9.328    126.949      9.324      3723332 
      D80H-L79N-H      9.349    125.397      8.597       274566 
         G40H-N-H      9.366    112.276      9.365      1966496 
      G40H-S54N-H      9.366    113.902      9.036       562090 
    C115H-H101N-H      9.390    121.578      8.538       681647 
    C115H-I116N-H      9.390    129.763      8.584       171383 
            ?-?-?      9.397    129.475      9.397      5059549 E89H-E89N-E89H/C115H-C115N-C115H(QU=0.746)

      E89H-K78N-H      9.402    121.951      8.977      1508486 
     T88H-V102N-H      9.442    118.081      8.235       306768 
      T88H-R87N-H      9.451    125.387      8.770       190871 
         T88H-N-H      9.452    119.353      9.453      4497092 
            ?-?-?      9.573    111.496      9.568       452638 
      E32H-Y33N-H      9.576    108.521      8.867       264002 
         E32H-N-H      9.578    117.661      9.579      1768817 
      E32H-W34N-H      9.584    123.127      7.645       152539 
         T53H-N-H      9.616    111.551      9.613       808606 
    W64HE1-E26N-H      9.920    128.281      8.760       228867 
   W64HE1-NE1-HE1      9.923    131.827      9.922      1983816 
    W34HE1-N31N-H     10.005    113.642      7.403       665496 
   W34HE1-NE1-HE1     10.005    131.180     10.003      3590371 
         T68H-N-H     10.036    113.723     10.032      1071680 
      T68H-K69N-H     10.037    113.591      7.164       876407 
            ?-?-?     10.058    117.918      8.660       275492 
        Y114H-N-H     10.073    128.340     10.056      1070601 
    A119H-A120N-H     10.077    113.091      7.354       522481 
        A119H-N-H     10.080    121.257     10.077      1420345 
        Y114H-N-H     10.081    128.197     10.083      1573376 
    A119H-L121N-H     10.083    117.395      8.291       281950 
     Y114H-F67N-H     10.085    117.709      8.579       675496 
            ?-?-?     10.091    114.005      7.189       532862 
            ?-?-?     10.104    113.596     10.104       581484 
    S118H-A119N-H     13.132    121.249     10.075       614091 
    S118H-A120N-H     13.136    113.109      7.354       162242 
;

save_


save_CNH_noesy
   _Saveframe_category              spectral_peak_list

   _Details                         .
   _Experiment_label               '3D (C13)HSQC-NOESY-(N15)HSQC'
   _Number_of_spectral_dimensions   3

   loop_
      _Expt_dimension_ID
      _Atom_type
      _Spectral_region

      1 H 'all H' 
      2 N  all    
      3 C  methyl 

   stop_

   _Sample_label                   $SR10.026
   _Sample_conditions_label        $sample_conditions_1
   _Text_data_format                text
   _Text_data                      
;
      Assignment         w1         w2         w3   Data Height     Note    

            ?-?-?     13.807    117.450      8.285       975306 
            ?-?-?     21.438    119.760      8.142      2463028 
            ?-?-?     25.979    119.227      8.653       912774 
            ?-?-?     22.784    119.191      8.652       952483 
            ?-?-?     25.994    118.799      7.588      1021394 
            ?-?-?     21.478    118.752      7.588      1989699 
            ?-?-?     26.007    112.196      7.598      1522835 
            ?-?-?     21.559    112.209      7.598      3121367 
            ?-?-?     22.820    121.398      7.288       922391 
            ?-?-?     21.581    121.399      7.286      9011024 
            ?-?-?     22.673    122.611      9.165      2407762 
            ?-?-?     22.645    121.268      8.939      5796496 
            ?-?-?     20.654    121.273      8.938      1842494 
            ?-?-?     22.673    114.479      6.850      1710301 
            ?-?-?     22.643    113.054      7.113      1268658 
            ?-?-?     22.643    110.553      7.812      5751603 
            ?-?-?     24.188    112.198      9.369      1097902 
            ?-?-?     22.391    118.083      8.007     12775391 
            ?-?-?     20.919    118.081      8.007      4494255 
            ?-?-?     20.050    118.080      8.008      6594566 
            ?-?-?     18.242    118.127      8.007      1136087 
            ?-?-?     24.923    118.360      8.964      5901948 
            ?-?-?     22.708    118.383      8.959      1627060 
            ?-?-?     20.975    118.335      8.960       913893 
            ?-?-?     13.222    118.347      8.964      2588661 
            ?-?-?     22.817    121.380      8.574      2676482 V46CG2 D44N D44H V46HG2/L121CD2 D44N D44H L121HD2(QU=0.998)

            ?-?-?     27.243    130.484      8.447      1868869 
            ?-?-?     23.630    130.446      8.447      1248217 
            ?-?-?     21.482    130.462      8.448      2028416 L12CD2 I45N I45H L12HD2/V46CG1 I45N I45H V46HG1(QU=0.987)

            ?-?-?     21.429    110.620      8.565      2772668 
            ?-?-?     21.438    120.989      7.854      1150916 
            ?-?-?     24.900    119.040      8.050      1883756 
            ?-?-?     22.790    119.025      8.049      1897739 
            ?-?-?     24.892    110.604      7.736      1739663 
            ?-?-?     22.777    110.608      7.732      1769117 
            ?-?-?     24.882    113.851      9.039       981019 
            ?-?-?     27.222    119.714      7.460      1312246 
            ?-?-?     22.898    119.686      7.461       952288 
            ?-?-?     20.965    122.345      8.460      1650557 
            ?-?-?     23.503    121.913      8.980      1428405 
            ?-?-?     20.876    121.890      8.979      1933849 
            ?-?-?     19.074    121.901      8.982      1220338 
            ?-?-?     25.136    125.349      8.602      5629816 
            ?-?-?     23.505    125.350      8.602      8081954 
            ?-?-?     25.133    126.870      9.327      5785724 
            ?-?-?     27.225    118.449      8.925      1235117 
            ?-?-?     20.014    118.480      8.924      7409030 
            ?-?-?     23.528    119.038      8.117      1502652 
            ?-?-?     20.900    119.299      9.454      1121778 
            ?-?-?     19.105    119.344      9.456      3109244 
            ?-?-?     25.117    129.276      9.407       901998 
            ?-?-?     23.516    129.275      9.407      3032184 
            ?-?-?     20.856    129.639      9.391      4252024 
            ?-?-?     23.602    124.239      8.991      1504513 
            ?-?-?     22.927    124.258      8.994     10067148 
            ?-?-?     21.520    124.260      8.994      6405276 
            ?-?-?     20.873    124.252      8.993      6874776 
            ?-?-?     23.627    114.888      9.085      5400410 
            ?-?-?     22.865    114.861      9.083      1707552 
            ?-?-?     21.548    114.871      9.085      1303461 
            ?-?-?     20.965    114.903      9.082      1172866 
            ?-?-?     23.638    119.257      7.367      1208582 
            ?-?-?     27.265    112.704      7.909      1416427 
            ?-?-?     23.623    112.688      7.912      2204059 
            ?-?-?     20.673    123.145      8.982      1001591 
            ?-?-?     22.920    119.442      7.730      3254802 
            ?-?-?     21.478    119.274      7.742      1312585 
            ?-?-?     20.839    119.459      7.729      5621951 
            ?-?-?     22.907    103.734      6.648      4245638 
            ?-?-?     22.897    121.490      8.543      2603886 
            ?-?-?     21.448    121.425      8.545      1269664 
            ?-?-?     20.844    118.006      8.236      8186617 
            ?-?-?     26.002    127.251      9.041       901420 
            ?-?-?     21.493    106.574      8.089      1011320 
            ?-?-?     25.872    118.852      7.540      1585070 
            ?-?-?     25.044    118.852      7.535      1634732 
            ?-?-?     24.519    118.886      7.535      1905351 
            ?-?-?     22.405    118.851      7.537      5999894 
            ?-?-?     22.412    120.768      8.909      2408206 
            ?-?-?     21.339    120.766      8.914      4317654 
            ?-?-?     18.949    120.784      8.915      1659845 
            ?-?-?     21.478    128.167     10.086      1986471 
            ?-?-?     20.797    129.782      8.583      1042445 
            ?-?-?     20.650    119.306      7.582      5605446 
            ?-?-?     22.662    121.180     10.077      2675013 
            ?-?-?     14.975    113.128      7.362       918213 
            ?-?-?     20.641    117.254      8.292      1953904 
            ?-?-?     20.911    118.221      8.904      1428326 
            ?-?-?     24.888    130.724      8.514      1758838 
            ?-?-?     24.214    130.732      8.513      1932909 
            ?-?-?     18.180    130.738      8.511      3174940 
            ?-?-?     24.482    120.448      7.995      1186027 
            ?-?-?     22.413    120.461      7.997      2129775 
            ?-?-?     20.925    120.476      7.995      1346750 
            ?-?-?     22.347    112.903      8.281       919413 
            ?-?-?     24.494    118.051      7.176      3541852 
            ?-?-?     20.055    118.029      7.176      1284521 
            ?-?-?     25.106    120.924      8.690      2012166 
            ?-?-?     24.475    120.933      8.691      2093788 
            ?-?-?     25.053    115.187      7.651      1030842 
            ?-?-?     20.934    118.799      8.619       945771 
            ?-?-?     26.430    117.192      8.126      2042471 
            ?-?-?     25.057    117.188      8.128      3597127 L41CD1 Y137N Y137H L41HD1/L138CD1 Y137N Y137H L138HD1(QU=0.995)

            ?-?-?     24.505    117.175      8.128      3127045 
            ?-?-?     25.060    119.008      6.912      1081853 L41CD1 L140N L140H L41HD1/L138CD1 L140N L140H L138HD1(QU=0.794)

            ?-?-?     24.473    118.994      6.914      1489252 
            ?-?-?     25.098    114.066      7.614      1038792 L41CD1 F141N F141H L41HD1/L138CD1 F141N F141H L138HD1(QU=0.316)

            ?-?-?     24.509    114.071      7.613      1684624 
            ?-?-?     22.358    114.067      7.615      3432382 
            ?-?-?     14.926    111.272      6.793      2617024 
            ?-?-?     22.828    116.122      7.199      1141675 
            ?-?-?     14.933    111.277      7.865      2600943 
            ?-?-?     22.646    131.700      9.924      1211386 
            ?-?-?     22.453    119.057      7.679      1014070 
            ?-?-?     22.434    127.150      8.981      1096238 
            ?-?-?     21.354    127.133      8.978      5705894 
            ?-?-?     18.971    127.115      8.978      2470066 
            ?-?-?     20.647    115.193      6.676       910842 
            ?-?-?     22.937    129.613      9.396      1867448 V90CG1 E89N E89H V90HG1/V90CG1 C115N C115H V90HG1(QU=0.247)

            ?-?-?     21.493    115.834      8.824      1082416 
            ?-?-?     21.463    119.720      7.462      3429516 
            ?-?-?     21.374    103.700      6.644      1151746 
            ?-?-?     21.315    128.393     10.048      1108397 
            ?-?-?     26.002    119.838      8.854      2268141 L12CD1 N13N N13H L12HD1/L12CD1 V46N V46H L12HD1(QU=0.839)

            ?-?-?     22.439    118.395      8.959      1624796 
            ?-?-?     24.047    121.395      8.576       918890 
            ?-?-?     19.855    118.492      8.924      7931684 
      I9CD1-K8N-H     13.819    119.787      8.144      1456239 
        I9CD1-N-H     13.821    119.177      8.652      3424610 
     I9CD1-K10N-H     13.864    118.775      7.590      1595315 
       L12CD1-N-H     25.999    121.398      7.286      4049790 
    L12CD1-Q16N-H     26.023    117.631      8.842       972502 
     L12CD2-I9N-H     21.444    119.202      8.652      3510526 
       V19CG1-N-H     20.629    116.167      8.638      6556864 
    V19CG1-T20N-H     20.629    104.447      7.718      3282992 
    V19CG1-N22N-H     20.633    114.462      6.852      1260667 
    V19CG1-N23N-H     20.642    113.083      7.116      1316499 
    V19CG1-G24N-H     20.619    107.973      8.598      2717455 
    V19CG1-T25N-H     20.633    110.556      7.811      1718359 
    V19CG1-E26N-H     20.622    128.237      8.765      3799045 
   V19CG1-A119N-H     20.626    121.180     10.081      1908812 
   V19CG1-A120N-H     20.625    113.064      7.359      3581915 
       V19CG2-N-H     22.644    116.184      8.640     16184161 
    V19CG2-T20N-H     22.673    104.441      7.717      4040264 
    V19CG2-G24N-H     22.650    107.990      8.599      3270289 
    V19CG2-E26N-H     22.640    128.247      8.765     10592706 
       L41CD1-N-H     24.884    118.084      8.008      4903611 
       L41CD2-N-H     24.225    118.089      8.007      4927520 
    L41CD2-Y42N-H     24.182    118.359      8.966      8607658 
    L41CD2-L51N-H     24.167    119.047      8.049      2643604 
    L41CD2-F52N-H     24.177    110.606      7.734      3214856 
    L41CD2-S54N-H     24.191    113.875      9.038      3304596 
       V43CG1-N-H     19.926    118.512      9.185     10931557 
    V43CG1-D44N-H     19.921    121.376      8.581      3675690 
    V43CG1-K49N-H     20.044    120.995      7.855       962434 
    V43CG1-L51N-H     19.890    119.038      8.049      3365757 
    V43CG1-F52N-H     19.882    110.606      7.734      2428637 
       V43CG2-N-H     18.191    118.512      9.185      9775877 
    V43CG2-D44N-H     18.197    121.368      8.582      3657242 
    V43CG2-I45N-H     18.158    130.472      8.451      1367421 
    V43CG2-G48N-H     18.191    110.607      8.564      1578521 
    V43CG2-K49N-H     18.211    120.975      7.854      1036233 
    V43CG2-L51N-H     18.226    119.038      8.049      1166878 
   V43CG2-R122N-H     18.191    118.496      8.923     10668321 
   V43CG2-F123N-H     18.190    125.321      7.906      1054551 
       I45CD1-N-H     14.923    130.453      8.446      1515280 
    I45CD1-V46N-H     14.933    119.809      8.858      2174098 
   I45CD1-L121N-H     14.937    117.241      8.292      1677628 
   I45CD1-R122N-H     14.911    118.496      8.922      1668046 
    V46CG1-Q16N-H     21.599    117.668      8.843       956724 
    V46CG1-Y17N-H     21.592    122.621      9.164      2136567 
       V46CG1-N-H     21.524    119.888      8.846     10083936 
    V46CG1-S47N-H     21.423    108.028      7.220      3128672 
V46CG2-N13ND2-HD21     22.803    116.188      8.345      1011163 
    V46CG2-I45N-H     22.808    130.467      8.446      4811593 
       V46CG2-N-H     22.825    119.856      8.837      6091534 
    V46CG2-S47N-H     22.823    108.031      7.221      2367296 
    V46CG2-G48N-H     22.829    110.595      8.565      2319124 
    V46CG2-K49N-H     22.849    120.990      7.857       972135 
    V46CG2-H98N-H     22.788    123.125      8.983       925985 
    L51CD1-D44N-H     27.233    121.369      8.581      5377283 
    L51CD1-K49N-H     27.259    121.002      7.854       887930 
       L51CD1-N-H     27.231    119.028      8.050      2399432 
    L51CD1-F52N-H     27.235    110.612      7.735      1890552 
    L51CD2-D44N-H     23.633    121.371      8.580      4171016 
    L51CD2-K49N-H     23.661    120.978      7.858      1076298 
       L51CD2-N-H     23.632    119.023      8.050      2482841 
    L51CD2-F52N-H     23.670    110.602      7.735      2030015 
    L51CD2-I71N-H     23.635    119.716      7.462      1443391 
    I71CD1-L51N-H     13.218    119.042      8.050      3802027 
    I71CD1-F52N-H     13.227    110.616      7.733      4209754 
    I71CD1-T53N-H     13.177    111.465      9.613      1043596 
       I71CD1-N-H     13.235    119.706      7.461      4263331 
    V75CG1-E74N-H     21.523    115.998      7.570      1413237 
       V75CG1-N-H     21.508    117.368      7.748      1908018 
    V75CG1-E76N-H     21.515    124.837      9.184      9107183 
    V75CG1-E77N-H     21.532    122.308      8.461      1559899 
    V75CG2-I71N-H     21.043    119.711      7.461      6024796 
    V75CG2-E73N-H     21.066    115.841      8.821      1907017 
    V75CG2-E74N-H     21.067    115.972      7.571      3045359 
       V75CG2-N-H     21.027    117.335      7.752      3811566 
    V75CG2-E76N-H     20.977    124.831      9.184      6178777 
    L79CD1-D80N-H     23.506    126.872      9.326     27260094 
    L79CD1-R87N-H     23.507    125.425      8.771     10361038 
    L79CD2-R87N-H     25.127    125.462      8.770      2210187 
    I86CD1-D80N-H     12.550    126.846      9.326       939257 
       I86CD1-N-H     12.525    119.031      8.120      6204304 
    I86CD1-R87N-H     12.535    125.447      8.770      1606269 
    V90CG1-E76N-H     22.925    124.852      9.184      5732592 
    V90CG1-E77N-H     22.891    122.339      8.461      1700458 
    V90CG1-K78N-H     22.924    121.892      8.980      2254020 
    V90CG1-E89N-H     22.934    129.368      9.403      1550829 
       V90CG1-N-H     22.925    120.697      8.094      8230484 
   V90CG1-V102N-H     22.908    118.026      8.237      3922085 
       V90CG2-N-H     20.841    120.694      8.094     19606392 
   V90CG2-G100N-H     20.837    103.732      6.648      8802775 
   V90CG2-H101N-H     20.837    121.513      8.540      7179632 
    L99CD1-E76N-H     27.259    124.848      9.183      2477741 
    L99CD1-V90N-H     27.260    120.629      8.093      1218384 
    L99CD1-R91N-H     27.275    124.262      8.994      2861881 
    L99CD1-S92N-H     27.259    114.886      9.084      4857700 
       L99CD1-N-H     27.274    119.478      7.728      2663092 
   L99CD1-G100N-H     27.268    103.720      6.646      2011605 
    L99CD2-E76N-H     23.625    124.815      9.185      1429310 
    L99CD2-H98N-H     23.590    123.108      8.984      1353462 
       L99CD2-N-H     23.622    119.456      7.729      3012296 
   L99CD2-G100N-H     23.632    103.745      6.647      1801992 
   V102CG1-V90N-H     19.095    120.695      8.094      1968892 
  V102CG1-H101N-H     19.135    121.432      8.548      1150370 
      V102CG1-N-H     19.103    118.015      8.236     21389776 
  V102CG1-F103N-H     19.162    127.224      9.040      4480057 
  V102CG1-R113N-H     19.169    120.174      8.824      2758702 
  V102CG1-C115N-H     19.103    129.556      9.393      1898468 
   V102CG2-K78N-H     21.565    121.897      8.979      1319955 
   V102CG2-T88N-H     21.453    119.322      9.457      1306373 
   V102CG2-E89N-H     21.429    129.635      9.391      2789758 
   V102CG2-V90N-H     21.404    120.703      8.088      2281162 
      V102CG2-N-H     21.431    118.013      8.235      8374746 
  V102CG2-F103N-H     21.464    127.226      9.040     11633559 
L112CD1-N110ND2-HD21     25.948    113.363      7.991      1417018 
L112CD1-N110ND2-HD22     25.951    113.475      7.650      1084634 
      L112CD1-N-H     25.963    119.186      7.470      1569578 
  L112CD2-V102N-H     22.283    118.003      8.235      1251140 
  L112CD2-F103N-H     22.274    127.235      9.041      2328690 
L112CD2-N104ND2-HD21     22.311    111.717      7.565      3509061 
L112CD2-N104ND2-HD22     22.317    111.711      6.892      3153660 
  L112CD2-D105N-H     22.273    119.187      7.749      1307172 
  L112CD2-G106N-H     22.258    106.569      8.088      1310412 
  L112CD2-G111N-H     22.244    107.738      7.849       995666 
      L112CD2-N-H     22.273    119.167      7.470      3476070 
  L112CD2-R113N-H     22.272    120.200      8.824      4385196 
   I116CD1-V90N-H      9.433    120.686      8.096      1874801 
   I116CD1-L99N-H      9.473    119.477      7.731      1061294 
  I116CD1-G100N-H      9.432    103.729      6.647      1926668 
  I116CD1-H101N-H      9.439    121.525      8.539      4799218 
  I116CD1-C115N-H      9.450    129.685      9.389      4585102 
      I116CD1-N-H      9.450    129.770      8.583      3083753 
  I116CD1-N117N-H      9.446    119.293      7.583      1497301 
   L121CD1-V43N-H     24.213    118.512      9.182      1547556 
  L121CD1-I116N-H     24.136    129.842      8.582       902477 
  L121CD1-N117N-H     24.194    119.323      7.583      1020574 
  L121CD1-A120N-H     24.183    113.062      7.359      1922746 
      L121CD1-N-H     24.187    117.224      8.293      2933349 
   L121CD2-V43N-H     22.789    118.522      9.184      1767219 
  L121CD2-N117N-H     22.687    119.292      7.582      2701380 
  L121CD2-A120N-H     22.740    113.058      7.358      3910259 
      L121CD2-N-H     22.775    117.248      8.292      4552318 
  L121CD2-R122N-H     22.782    118.505      8.922      4677642 
      V124CG1-N-H     20.909    130.730      8.511      5652294 
  V124CG1-K128N-H     20.925    118.843      7.534      3810155 
  V124CG1-L129N-H     20.926    118.036      7.177      3957224 
  V124CG1-E131N-H     20.929    120.977      8.689      1011084 
  V124CG1-E132N-H     20.923    115.171      7.653      1714254 
  V124CG2-F123N-H     20.025    125.318      7.904      1941685 
      V124CG2-N-H     20.055    130.729      8.511     17036786 
   L129CD1-L41N-H     26.440    118.086      8.007      5533208 
  L129CD1-V124N-H     26.450    130.729      8.511      1541602 
  L129CD1-K126N-H     26.437    120.466      7.996      2635699 
  L129CD1-K128N-H     26.422    118.838      7.535      2774475 
      L129CD1-N-H     26.438    118.038      7.176      4543320 
  L129CD1-K130N-H     26.426    118.200      8.897      1932772 
  L129CD1-L138N-H     26.428    120.852      7.791      2324400 
  L129CD2-V124N-H     22.390    130.731      8.512      4693762 
      L129CD2-N-H     22.391    118.036      7.177      5459572 
  L129CD2-K130N-H     22.476    118.164      8.894      1662552 
  L129CD2-E131N-H     22.401    120.945      8.692       919905 
  L129CD2-E132N-H     22.424    115.151      7.650      1151160 
  L129CD2-Y134N-H     22.397    118.773      8.616      1522646 
  L129CD2-Y137N-H     22.396    117.205      8.127      1463350 
  L129CD2-L138N-H     22.409    120.844      7.791      1394303 
  L138CD1-L129N-H     25.056    118.027      7.176      2567002 
  L138CD1-K130N-H     25.101    118.206      8.899      5089617 
  L138CD1-Y134N-H     25.040    118.778      8.617      1247075 
  L138CD1-E135N-H     25.048    122.273      9.075      1656474 
      L138CD1-N-H     25.096    120.870      7.791      4760708 
  L138CD2-K130N-H     24.469    118.226      8.901      4986822 
  L138CD2-E135N-H     24.544    122.271      9.076      1024729 
      L138CD2-N-H     24.496    120.868      7.792      4343322 
      L140CD1-N-H     25.864    118.973      6.913      3842411 
  L140CD1-F141N-H     25.867    114.068      7.614      1690776 
      L140CD2-N-H     22.356    118.975      6.914      7347184 
L144CD1-N142ND2-HD21     24.551    112.006      7.719      1094155 
L144CD1-N142ND2-HD22     24.636    111.981      7.018      1011023 
  L144CD1-E145N-H     24.747    121.885      8.402      2104584 
  L144CD2-E145N-H     23.442    121.859      8.402      1885998 
;

save_


save_CCH_noesy
   _Saveframe_category              spectral_peak_list

   _Details                         .
   _Experiment_label               '3D (C13)HSQC-NOESY-(C13)HSQC'
   _Number_of_spectral_dimensions   3

   loop_
      _Expt_dimension_ID
      _Atom_type
      _Spectral_region

      1 H 'all H' 
      2 C  methyl 
      3 C  methyl 

   stop_

   _Sample_label                   $SR10.026
   _Sample_conditions_label        $sample_conditions_1
   _Text_data_format                text
   _Text_data                      
;
      Assignment         w1         w2         w3   Data Height     Note    

            ?-?-?     22.845     22.841      0.886     51753656 
            ?-?-?     21.464     22.868      0.878     13038648 V46CG1 V46CG2 V46HG2 V46HG1/V75CG1 V90CG1 V90HG1 V75HG1/V102CG2

            ?-?-?     19.946     18.191      0.690      7197260 V43CG1 V43CG2 V43HG2 V43HG1/V124CG2 V43CG2 V43HG2 V124HG2(QU=0.983)

            ?-?-?     18.194     18.189      0.690      9973388 
            ?-?-?     27.273     21.053      0.524      2857453 L51CD1 V75CG2 V75HG2 L51HD1/L99CD1 V75CG2 V75HG2 L99HD1(QU=1.000)

            ?-?-?     23.632     21.058      0.524      3725883 L51CD2 V75CG2 V75HG2 L51HD2/L99CD2 V75CG2 V75HG2 L99HD2(QU=1.000)

            ?-?-?     27.272     20.846      0.685      2050940 L51CD1 V90CG2 V90HG2 L51HD1/L99CD1 V90CG2 V90HG2 L99HD1(QU=1.000)

            ?-?-?     23.660     20.820      0.688      1302767 L51CD2 V90CG2 V90HG2 L51HD2/L99CD2 V90CG2 V90HG2 L99HD2(QU=0.999)

            ?-?-?     20.846     20.840      0.682     46244584 
            ?-?-?     21.454     21.454      0.062     20721932 
            ?-?-?     20.612     20.608      0.947     23265724 
            ?-?-?     23.639     21.563      0.622      3162146 L51CD2 V75CG1 V75HG1 L51HD2/L99CD2 V75CG1 V75HG1 L99HD2(QU=0.949)

            ?-?-?     21.544     21.552      0.622     18202418 
            ?-?-?     21.040     21.555      0.621      6950386 V75CG2 V75CG1 V75HG1 V75HG2/V90CG2 V75CG1 V75HG1 V90HG2(QU=0.922)

            ?-?-?     27.276     22.919      0.891      3743374 L51CD1 V46CG2 V46HG2 L51HD1/L99CD1 V90CG1 V90HG1 L99HD1(QU=1.000)

            ?-?-?     19.103     19.099      0.466     24189538 
            ?-?-?     24.891     20.926      0.565      1137971 L41CD1 V124CG1 V124HG1 L41HD1/L138CD1 V124CG1 V124HG1 L138HD1(QU=0.667)

            ?-?-?     21.437     13.834      0.819      3002150 L12CD2 I9CD1 I9HD1 L12HD2/V46CG1 I9CD1 I9HD1 V46HG1(QU=0.995)

            ?-?-?     13.835     13.830      0.819     67703376 
            ?-?-?     24.184     24.188      0.510     60881148 
            ?-?-?     14.926     14.922      0.924     73232944 
            ?-?-?     27.250     23.641      0.626      7822230 L51CD1 L51CD2 L51HD2 L51HD1/L99CD1 L51CD2 L51HD2 L99HD1(QU=0.849)

            ?-?-?     13.227     13.219      0.395     45675016 
            ?-?-?     26.432     24.785      0.900      1295096 
            ?-?-?     25.138     25.139      0.869    134276496 
            ?-?-?     12.527     12.518      0.822    174656208 
            ?-?-?     27.255     23.620      0.689      7485742 L51CD1 L99CD2 L99HD2 L51HD1/L99CD1 L99CD2 L99HD2 L99HD1(QU=1.000)

            ?-?-?     22.820     23.626      0.690      3278746 V46CG2 L99CD2 L99HD2 V46HG2/L121CD2 L99CD2 L99HD2 L121HD2(QU=0.635)

            ?-?-?     25.859     22.348      0.680     14725730 L112CD1 L112CD2 L112HD2 L112HD1/L140CD1 L140CD2 L140HD2 L140HD1(QU=1.000)

            ?-?-?     22.347     22.348      0.678    106955208 
            ?-?-?     27.304      9.445      0.423      1211593 L51CD1 I116CD1 I116HD1 L51HD1/L99CD1 I116CD1 I116HD1 L99HD1(QU=0.999)

            ?-?-?     22.925      9.441      0.422      3452227 V90CG1 I116CD1 I116HD1 V90HG1/L121CD2 I116CD1 I116HD1 L121HD2(QU=0.665)

            ?-?-?      9.445      9.436      0.422     27332338 
            ?-?-?     24.891     22.396      0.432      6698670 L41CD1 L129CD2 L129HD2 L41HD1/L138CD1 L129CD2 L129HD2 L138HD1(QU=0.899)

            ?-?-?     22.393     22.397      0.432     26969754 
            ?-?-?     20.040     22.395      0.432      2119773 V43CG1 L129CD2 L129HD2 V43HG1/V124CG2 L129CD2 L129HD2 V124HG2(QU=1.000)

            ?-?-?     25.126     25.123      1.083     96150808 
            ?-?-?     23.444     23.442      0.840    434748896 
            ?-?-?     21.575     26.016      0.822      5010508 L12CD2 L12CD1 L12HD1 L12HD2/V46CG1 L12CD1 L12HD1 V46HG1(QU=0.854)

            ?-?-?     19.941     24.908      0.220      2231680 V43CG1 L41CD1 L41HD1 V43HG1/V124CG2 L41CD1 L41HD1 V124HG2(QU=0.979)

            ?-?-?     23.632     27.222      0.781      6746908 L51CD2 L51CD1 L51HD1 L51HD2/L99CD2 L51CD1 L51HD1 L99HD2(QU=1.000)

            ?-?-?     22.815     27.220      0.781      4007344 V46CG2 L51CD1 L51HD1 V46HG2/L121CD2 L51CD1 L51HD1 L121HD2(QU=0.999)

            ?-?-?     23.513     23.510      0.908    153530592 
            ?-?-?     23.633     27.271      0.723      6213424 L51CD2 L99CD1 L99HD1 L51HD2/L99CD2 L99CD1 L99HD1 L99HD2(QU=1.000)

            ?-?-?     20.975     27.276      0.722      2995018 V75CG2 L99CD1 L99HD1 V75HG2/V90CG2 L99CD1 L99HD1 V90HG2(QU=0.981)

            ?-?-?     25.957     25.969      1.046     12214436 
            ?-?-?     23.687     22.776      0.709      4018591 L51CD2 L121CD2 L121HD2 L51HD2/L99CD2 L121CD2 L121HD2 L99HD2(QU=0.855)

            ?-?-?     22.793     22.792      0.707     35041916 
            ?-?-?     26.440     26.432      0.676     26217802 
            ?-?-?     24.959     26.433      0.676      4537972 L41CD1 L129CD1 L129HD1 L41HD1/L138CD1 L129CD1 L129HD1 L138HD1(QU=0.972)

            ?-?-?     24.501     24.509      1.000    103892120 
            ?-?-?     25.908     25.936      0.855     17951926 
            ?-?-?     24.754     24.759      0.902    335572416 
            ?-?-?     24.180     24.184      0.628     40368764 
            ?-?-?     22.784     22.834      0.874     32972188 
            ?-?-?     20.836     22.882      0.874      5863655 V19CG1 V19CG2 V19HG2 V19HG1/V75CG2 V90CG1 V90HG1 V75HG2/V90CG2

            ?-?-?     20.644     22.666      0.888     11357890 V19CG1 V19CG2 V19HG2 V19HG1/V90CG2 V90CG1 V90HG1 V90HG2(QU=0.696)

            ?-?-?     22.663     22.666      0.888     43531660 
            ?-?-?     20.968     20.911      0.569     18637500 
            ?-?-?     25.900     22.393      0.704     10332769 L112CD1 L112CD2 L112HD2 L112HD1/L140CD1 L140CD2 L140HD2 L140HD1(QU=0.752)

            ?-?-?     22.366     22.345      0.704     56415608 
            ?-?-?     26.029     26.007      0.822     10388133 
 I9CD1-V46CG1-HG1     13.815     21.402      0.914      2266066 
 I9CD1-V46CG2-HG2     13.830     22.827      0.870      1204556 
   L12CD1-CD2-HD2     26.008     21.582      0.742      7835888 
L12CD1-V46CG1-HG1     25.974     21.421      0.913      1109433 
L12CD2-I45CD1-HD1     21.580     14.930      0.924      3619919 
L12CD2-V46CG1-HG1     21.416     21.414      0.916     29534582 
   V19CG2-CG1-HG1     22.642     20.626      0.951      7556808 
   L41CD1-CD2-HD2     24.906     24.189      0.511     15145449 
L41CD1-V43CG1-HG1     24.890     19.880      0.077      2490566 
L41CD1-I71CD1-HD1     24.898     13.216      0.395      2079814 
L41CD1-L140CD1-HD1     25.073     25.924      0.867      1887778 
   L41CD2-CD1-HD1     24.192     24.897      0.220     13810842 
L41CD2-V43CG1-HG1     24.195     19.872      0.077      2340836 
L41CD2-I71CD1-HD1     24.192     13.235      0.395      4289218 
L41CD2-L129CD2-HD2     24.309     22.395      0.433      3845676 
V43CG1-L41CD2-HD2     19.926     24.180      0.511      2061422 
V43CG1-V124CG2-HG2     20.064     20.087      0.519     18635806 
   V43CG2-CG1-HG1     18.192     19.876      0.077      7239988 
V43CG2-V124CG2-HG2     18.191     20.075      0.519      3138842 
I45CD1-L12CD2-HD2     14.934     21.587      0.744      2941652 
V46CG1-L12CD2-HD2     21.580     21.587      0.743     47417968 
 V46CG2-I9CD1-HD1     22.814     13.825      0.819      1669454 
V46CG2-L12CD1-HD1     22.744     25.985      0.826      2055169 
V46CG2-L12CD2-HD2     22.836     21.582      0.742      3807625 
   V46CG2-CG1-HG1     22.820     21.433      0.916      6220182 
L51CD1-L99CD1-HD1     27.270     27.268      0.722     11877538 
L51CD1-L121CD1-HD1     27.243     24.156      0.624      2161726 
L51CD1-L121CD2-HD2     27.242     22.799      0.707      7061966 
L51CD2-L99CD2-HD2     23.608     23.610      0.690     16645045 
I71CD1-L41CD1-HD1     13.221     24.890      0.220      1757860 
I71CD1-L41CD2-HD2     13.226     24.195      0.511      3675256 
I71CD1-L140CD2-HD2     13.231     22.339      0.672      1085031 
V75CG1-L51CD2-HD2     21.513     23.627      0.626      2798380 
   V75CG1-CG2-HG2     21.545     21.007      0.528      5805592 
V75CG1-V90CG2-HG2     21.461     20.826      0.687      5335796 
V75CG1-L99CD1-HD1     21.516     27.277      0.722      2555464 
V75CG2-L51CD2-HD2     21.039     23.642      0.626      3564464 
   L79CD1-CD2-HD2     23.510     25.137      0.870     28497814 
L79CD1-I86CD1-HD1     23.506     12.526      0.822      3725318 
   L79CD2-CD1-HD1     25.142     23.516      0.908     36098856 
L79CD2-I86CD1-HD1     25.134     12.492      0.822      1819563 
I86CD1-L79CD1-HD1     12.545     23.530      0.909      3334078 
I86CD1-L79CD2-HD2     12.519     25.149      0.869      1434448 
V90CG1-V75CG1-HG1     22.913     21.547      0.621      5209696 
V90CG1-V75CG2-HG2     22.899     21.039      0.524      2559218 
   V90CG1-CG2-HG2     22.932     20.839      0.682     11296898 
V90CG1-L99CD1-HD1     22.877     27.263      0.723      3808940 
V90CG1-V102CG1-HG1     22.924     19.102      0.466      2598771 
V90CG1-V102CG2-HG2     22.895     21.459      0.061      1456245 
V90CG2-V75CG2-HG2     21.028     21.036      0.528     19895188 
V90CG2-V102CG1-HG1     20.872     19.107      0.460      3223440 
V90CG2-V102CG2-HG2     20.896     21.463      0.059      1657328 
V90CG2-I116CD1-HD1     20.857      9.437      0.423      5156104 
L99CD1-L51CD1-HD1     27.237     27.219      0.781     10577710 
L99CD1-V75CG1-HG1     27.270     21.554      0.621      3354458 
L99CD2-V46CG2-HG2     23.623     22.843      0.886      2126493 
L99CD2-L51CD2-HD2     23.629     23.632      0.626     22934426 
V102CG1-V90CG1-HG1     19.094     22.898      0.892      2791508 
V102CG1-V90CG2-HG2     19.099     20.840      0.682      4045456 
  V102CG1-CG2-HG2     19.142     21.457      0.062      6363794 
V102CG1-L112CD2-HD2     19.108     22.304      0.706      2265158 
  V102CG2-CG1-HG1     21.435     19.098      0.467      8351842 
V102CG2-L112CD2-HD2     21.426     22.324      0.707      5395692 
L112CD1-V90CG1-HG1     26.004     22.820      0.870      3253223 
L112CD1-V102CG1-HG1     25.887     19.110      0.466      1056066 
L112CD1-V102CG2-HG2     25.926     21.447      0.062      1729852 
L112CD2-V102CG1-HG1     22.306     19.088      0.466      2233875 
L112CD2-V102CG2-HG2     22.295     21.452      0.061      3633133 
  L112CD2-CD1-HD1     22.306     25.933      1.052      3177734 
I116CD1-V90CG1-HG1      9.440     22.949      0.893      2321172 
I116CD1-V90CG2-HG2      9.449     20.855      0.685      3451850 
  L121CD1-CD2-HD2     24.182     22.798      0.707      9160628 
  L121CD2-CD1-HD1     22.794     24.181      0.628     11325200 
V124CG1-L41CD1-HD1     20.937     24.908      0.218      1253223 
V124CG1-V43CG1-HG1     20.933     19.861      0.077      1494696 
  V124CG1-CG2-HG2     20.920     20.097      0.520      6374052 
V124CG1-L129CD1-HD1     20.926     26.431      0.676      1501807 
V124CG1-L129CD2-HD2     20.927     22.395      0.432      6107196 
V124CG2-V43CG1-HG1     19.898     19.875      0.077     26147248 
  V124CG2-CG1-HG1     20.064     20.927      0.563      5589825 
L129CD1-L41CD1-HD1     26.442     24.903      0.220      3288995 
L129CD1-L41CD2-HD2     26.428     24.178      0.511      2113844 
L129CD1-V124CG1-HG1     26.435     20.933      0.564      1576667 
  L129CD1-CD2-HD2     26.442     22.397      0.432      9145374 
L129CD1-L138CD1-HD1     26.426     25.112      1.083      3177419 
L129CD1-L138CD2-HD2     26.427     24.505      1.000      8238856 
L129CD2-L41CD1-HD1     22.393     24.891      0.220      6137423 
L129CD2-L41CD2-HD2     22.390     24.194      0.511      4506349 
L129CD2-V124CG1-HG1     22.400     20.926      0.563      5433776 
L129CD2-V124CG2-HG2     22.401     20.078      0.520      1893036 
  L129CD2-CD1-HD1     22.395     26.433      0.676      8028214 
L129CD2-L138CD2-HD2     22.384     24.528      1.000      2207775 
L138CD1-L41CD1-HD1     24.896     24.897      0.220     40465452 
  L138CD1-CD2-HD2     25.133     24.513      0.999     26943058 
L138CD2-L129CD1-HD1     24.493     26.436      0.676      7221275 
  L138CD2-CD1-HD1     24.510     25.124      1.083     24372334 
L140CD1-L41CD1-HD1     25.837     24.897      0.220      1691324 
L140CD1-L41CD2-HD2     25.846     24.188      0.510      2640700 
L140CD1-I71CD1-HD1     25.844     13.210      0.395      2313594 
L140CD2-I71CD1-HD1     22.367     13.205      0.395      1656947 
  L140CD2-CD1-HD1     22.303     25.911      0.849      5913018 
  L144CD1-CD2-HD2     24.766     23.446      0.840     19312518 
  L144CD2-CD1-HD1     23.437     24.787      0.901     15047594 
;

save_