data_10057

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

save_entry_information
   _Saveframe_category      entry_information

   _Entry_title            
;
Solution structure of Iron-sulfur cluster protein U (IscU)
;
   _BMRB_accession_number   10057
   _BMRB_flat_file_name     bmr10057.str
   _Entry_type              original
   _Submission_date         2006-11-29
   _Accession_date          2006-11-30
   _Entry_origination       author
   _NMR_STAR_version        2.1.1
   _Experimental_method     NMR
   _Details                 .

   loop_
      _Author_ordinal
      _Author_family_name
      _Author_given_name
      _Author_middle_initials
      _Author_family_title

      1 Nakanishi T. . . 
      2 Tomizawa  T. . . 
      3 Koshiba   S. . . 
      4 Inoue     M. . . 
      5 Kigawa    T. . . 
      6 Yokoyama  S. . . 

   stop_

   loop_
      _Saveframe_category_type
      _Saveframe_category_type_count

      assigned_chemical_shifts 1 

   stop_

   loop_
      _Data_type
      _Data_type_count

      "1H chemical shifts"  704 
      "13C chemical shifts" 508 
      "15N chemical shifts" 124 

   stop_

   loop_
      _Revision_date
      _Revision_keyword
      _Revision_author
      _Revision_detail

      2008-08-13 original author . 

   stop_

   _Original_release_date   2008-08-13

save_


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

save_citation_1
   _Saveframe_category           entry_citation

   _Citation_full                .
   _Citation_title              'Solution structure of Iron-sulfur cluster protein U (IscU)'
   _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 Nakanishi T. . . 
      2 Tomizawa  T. . . 
      3 Koshiba   S. . . 
      4 Inoue     M. . . 
      5 Kigawa    T. . . 
      6 Yokoyama  S. . . 

   stop_

   _Journal_abbreviation         .
   _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           'nitrogen fixation cluster-like'
   _Enzyme_commission_number   .

   loop_
      _Mol_system_component_name
      _Mol_label

      'nitrogen fixation cluster-like' $entity_1 
      'ZINC (II) ION'                  $ZN       

   stop_

   _System_molecular_weight    .
   _System_physical_state      native
   _System_oligomer_state      ?
   _System_paramagnetic        no
   _System_thiol_state        'other bound and free'

   loop_
      _Magnetic_equivalence_ID
      _Magnetically_equivalent_system_component

      diamagnetic 'ZINC (II) ION' 

   stop_

   _Database_query_date        .
   _Details                    .

save_


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

save_entity_1
   _Saveframe_category                          monomeric_polymer

   _Mol_type                                    polymer
   _Mol_polymer_class                           protein
   _Name_common                                'Iron-sulfur cluster protein U (IscU)'
   _Molecular_mass                              .
   _Mol_thiol_state                            'all free'
   _Details                                     .

   	##############################
   	#  Polymer residue sequence  #
   	##############################
   
      _Residue_count                               130
   _Mol_residue_sequence                       
;
GSSGSSGENPRNVGSLDKTS
KNVGTGLVGAPACGDVMKLQ
IQVDEKGKIVDARFKTFGCG
SAIASSSLATEWVKGKTVEE
ALTIKNTDIAKELCLPPVKL
HCSMLAEDAIKAALADYKLK
QESKSGPSSG
;

   loop_
      _Residue_seq_code
      _Residue_label

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

   stop_

   _Sequence_homology_query_date                .
   _Sequence_homology_query_revised_last_date   2015-01-31

   loop_
      _Database_name
      _Database_accession_code
      _Database_entry_mol_name
      _Sequence_query_to_submitted_percentage
      _Sequence_subject_length
      _Sequence_identity
      _Sequence_positive
      _Sequence_homology_expectation_value

      PDB  1WFZ         "Solution Structure Of Iron-Sulfur Cluster Protein U (Iscu)"                                                                      100.00 130 100.00 100.00 7.36e-87 
      DBJ  BAB26031     "unnamed protein product [Mus musculus]"                                                                                           90.00 168 100.00 100.00 4.11e-78 
      DBJ  BAC30464     "unnamed protein product [Mus musculus]"                                                                                           90.00 168 100.00 100.00 4.11e-78 
      DBJ  BAC38830     "unnamed protein product [Mus musculus]"                                                                                           90.00 168 100.00 100.00 4.11e-78 
      DBJ  BAE91311     "unnamed protein product [Macaca fascicularis]"                                                                                    91.54 167  98.32  98.32 7.49e-78 
      DBJ  BAG51892     "unnamed protein product [Homo sapiens]"                                                                                           73.85 156 100.00 100.00 9.39e-63 
      EMBL CAL38012     "hypothetical protein [synthetic construct]"                                                                                       91.54 167  98.32  98.32 6.09e-78 
      GB   AAC50885     "NifU-like protein, partial [Homo sapiens]"                                                                                        89.23 121  98.28  98.28 7.18e-75 
      GB   AAG37427     "ISCU1 [Homo sapiens]"                                                                                                             91.54 142  98.32  98.32 8.86e-78 
      GB   AAG37428     "ISCU2 [Homo sapiens]"                                                                                                             91.54 167  98.32  98.32 6.09e-78 
      GB   AAH11906     "Iron-sulfur cluster scaffold homolog (E. coli) [Homo sapiens]"                                                                    91.54 167  98.32  98.32 6.09e-78 
      GB   AAH28800     "Iscu protein, partial [Mus musculus]"                                                                                             90.00 166 100.00 100.00 6.09e-78 
      REF  NP_001069151 "iron-sulfur cluster assembly enzyme ISCU, mitochondrial [Bos taurus]"                                                             91.54 167  98.32  99.16 3.00e-78 
      REF  NP_001099406 "iron-sulfur cluster assembly enzyme ISCU, mitochondrial [Rattus norvegicus]"                                                      90.00 167  99.15 100.00 1.46e-77 
      REF  NP_001230245 "iron-sulfur cluster scaffold homolog (E. coli)-like [Bos taurus]"                                                                 91.54 164  97.48  98.32 6.34e-77 
      REF  NP_001248403 "iron-sulfur cluster assembly enzyme ISCU, mitochondrial [Macaca mulatta]"                                                         91.54 167  98.32  98.32 5.17e-78 
      REF  NP_001270426 "uncharacterized protein LOC101926203 [Macaca fascicularis]"                                                                       91.54 167  98.32  98.32 7.49e-78 
      SP   Q9D7P6       "RecName: Full=Iron-sulfur cluster assembly enzyme ISCU, mitochondrial; AltName: Full=NifU-like N-terminal domain-containing pro"  90.00 168 100.00 100.00 4.11e-78 
      SP   Q9H1K1       "RecName: Full=Iron-sulfur cluster assembly enzyme ISCU, mitochondrial; AltName: Full=NifU-like N-terminal domain-containing pro"  91.54 167  98.32  98.32 4.39e-78 
      TPG  DAA20564     "TPA: iron-sulfur cluster assembly enzyme [Bos taurus]"                                                                            91.54 167  98.32  99.16 3.00e-78 

   stop_

save_


    #############
    #  Ligands  #
    #############

save_ZN
   _Saveframe_category             ligand

   _Mol_type                       non-polymer
   _Name_common                   "ZN (ZINC ION)"
   _BMRB_code                      .
   _PDB_code                       ZN
   _Molecular_mass                 65.409
   _Mol_charge                     2
   _Mol_paramagnetic               .
   _Mol_aromatic                   no
   _Details                       
;
Information obtained from PDB's Chemical Component Dictionary
at http://wwpdb-remediation.rutgers.edu/downloads.html
Downloaded on Wed Sep 21 15:29:05 2011
;

   loop_
      _Atom_name
      _PDB_atom_name
      _Atom_type
      _Atom_chirality
      _Atom_charge
      _Atom_oxidation_number
      _Atom_unpaired_electrons

      ZN ZN ZN . 2 . ? 

   stop_

   _Mol_thiol_state                .
   _Sequence_homology_query_date   .

save_


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

save_natural_source
   _Saveframe_category   natural_source


   loop_
      _Mol_label
      _Organism_name_common
      _NCBI_taxonomy_ID
      _Superkingdom
      _Kingdom
      _Genus
      _Species

      $entity_1 mouse 10090 Eukaryota Metazoa Mus musculus 

   stop_

save_


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

save_experimental_source
   _Saveframe_category   experimental_source


   loop_
      _Mol_label
      _Production_method
      _Host_organism_name_common
      _Genus
      _Species
      _Strain
      _Vector_type
      _Vector_name

      $entity_1 'cell free synthesis' . . . . plasmid P020826-02 

   stop_

save_


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

save_sample_1
   _Saveframe_category   sample

   _Sample_type          solution
   _Details              .

   loop_
      _Mol_label
      _Concentration_value
      _Concentration_value_units
      _Isotopic_labeling

      $entity_1     1.12 mM '[U-13C; U-15N]' 
       d-Tris-HCl  20    mM  .               
       NaCl       100    mM  .               
       d-DTT       10    mM  .               
       NaN3         0.02 %   .               
       ZnCl2        0.01 mM  .               
       H2O         90    %   .               
       D2O         10    %   .               

   stop_

save_


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

save_software_1
   _Saveframe_category   software

   _Name                 xwinnmr
   _Version              2.6

   loop_
      _Vendor
      _Address
      _Electronic_address

      Bruker . . 

   stop_

   loop_
      _Task

      collection 

   stop_

   _Details              .

save_


save_software_2
   _Saveframe_category   software

   _Name                 NMRPipe
   _Version              20030801

   loop_
      _Vendor
      _Address
      _Electronic_address

      'Delaglio, F.' . . 

   stop_

   loop_
      _Task

      processing 

   stop_

   _Details              .

save_


save_software_3
   _Saveframe_category   software

   _Name                 NMRView
   _Version              5.0.4

   loop_
      _Vendor
      _Address
      _Electronic_address

      'Johnson, B.A.' . . 

   stop_

   loop_
      _Task

      'data analysis' 

   stop_

   _Details              .

save_


save_software_4
   _Saveframe_category   software

   _Name                 Kujira
   _Version              0.870

   loop_
      _Vendor
      _Address
      _Electronic_address

      'Kobayashi, N.' . . 

   stop_

   loop_
      _Task

      'data analysis' 

   stop_

   _Details              .

save_


save_software_5
   _Saveframe_category   software

   _Name                 CYANA
   _Version              2.0.17

   loop_
      _Vendor
      _Address
      _Electronic_address

      'Guntert, P.' . . 

   stop_

   loop_
      _Task

       refinement"         
      'structure solution' 

   stop_

   _Details              .

save_


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

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

save_spectrometer_1
   _Saveframe_category   NMR_spectrometer

   _Manufacturer         Bruker
   _Model                AVANCE
   _Field_strength       800
   _Details              .

save_


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

save_3D_15N-separated_NOESY_1
   _Saveframe_category   NMR_applied_experiment

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

save_


save_3D_13C-separated_NOESY_2
   _Saveframe_category   NMR_applied_experiment

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

save_


save_3D_15N-separated_NOESY
   _Saveframe_category                     NMR_applied_experiment

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

save_


save_3D_13C-separated_NOESY
   _Saveframe_category                     NMR_applied_experiment

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

save_


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

save_condition_1
   _Saveframe_category   sample_conditions

   _Details              .

   loop_
      _Variable_type
      _Variable_value
      _Variable_value_error
      _Variable_value_units

      'ionic strength' 120   0.1   mM  
       pH                7.0 0.05  pH  
       pressure          1   0.001 atm 
       temperature     298   0.1   K   

   stop_

save_


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

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

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

save_reference_1
   _Saveframe_category   chemical_shift_reference

   _Details             
;
Chemical shift reference of 1H was based on the proton of water (4.784ppm at
298K) and then those of 15N and 13C were calculated based on their gyromagnetic
ratios.
;

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

      DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 
      DSS H  1 'methyl protons' ppm 0.0 . indirect . . . 1.0         
      DSS N 15 'methyl protons' ppm 0.0 . 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_chemical_shift_1
   _Saveframe_category               assigned_chemical_shifts

   _Details                          .

   loop_
      _Experiment_label

      '3D 15N-separated NOESY' 
      '3D 13C-separated NOESY' 

   stop_

   loop_
      _Sample_label

      $sample_1 

   stop_

   _Sample_conditions_label         $condition_1
   _Chem_shift_reference_set_label  $reference_1
   _Mol_system_component_name       'nitrogen fixation cluster-like'
   _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   6   6 SER HA   H   4.509 0.030 1 
         2   6   6 SER HB2  H   3.934 0.030 1 
         3   6   6 SER HB3  H   3.934 0.030 1 
         4   6   6 SER C    C 175.085 0.300 1 
         5   6   6 SER CA   C  58.733 0.300 1 
         6   6   6 SER CB   C  63.968 0.300 1 
         7   7   7 GLY H    H   8.400 0.030 1 
         8   7   7 GLY HA2  H   3.990 0.030 1 
         9   7   7 GLY HA3  H   3.990 0.030 1 
        10   7   7 GLY C    C 173.983 0.300 1 
        11   7   7 GLY CA   C  45.411 0.300 1 
        12   7   7 GLY N    N 110.613 0.300 1 
        13   8   8 GLU H    H   8.223 0.030 1 
        14   8   8 GLU HA   H   4.301 0.030 1 
        15   8   8 GLU HB2  H   1.913 0.030 2 
        16   8   8 GLU HB3  H   2.036 0.030 2 
        17   8   8 GLU HG2  H   2.247 0.030 1 
        18   8   8 GLU HG3  H   2.247 0.030 1 
        19   8   8 GLU C    C 176.058 0.300 1 
        20   8   8 GLU CA   C  56.322 0.300 1 
        21   8   8 GLU CB   C  30.549 0.300 1 
        22   8   8 GLU CG   C  36.219 0.300 1 
        23   8   8 GLU N    N 120.198 0.300 1 
        24   9   9 ASN H    H   8.520 0.030 1 
        25   9   9 ASN HA   H   4.972 0.030 1 
        26   9   9 ASN HB2  H   2.723 0.030 2 
        27   9   9 ASN HB3  H   2.860 0.030 2 
        28   9   9 ASN HD21 H   6.964 0.030 2 
        29   9   9 ASN HD22 H   7.650 0.030 2 
        30   9   9 ASN C    C 173.540 0.300 1 
        31   9   9 ASN CA   C  51.387 0.300 1 
        32   9   9 ASN CB   C  38.926 0.300 1 
        33   9   9 ASN N    N 120.928 0.300 1 
        34   9   9 ASN ND2  N 113.159 0.300 1 
        35  10  10 PRO HA   H   4.443 0.030 1 
        36  10  10 PRO HB2  H   2.338 0.030 2 
        37  10  10 PRO HB3  H   1.962 0.030 2 
        38  10  10 PRO HG2  H   2.045 0.030 1 
        39  10  10 PRO HG3  H   2.045 0.030 1 
        40  10  10 PRO HD2  H   3.846 0.030 2 
        41  10  10 PRO HD3  H   3.736 0.030 2 
        42  10  10 PRO CA   C  63.567 0.300 1 
        43  10  10 PRO CB   C  32.287 0.300 1 
        44  10  10 PRO CG   C  27.366 0.300 1 
        45  10  10 PRO CD   C  50.824 0.300 1 
        46  11  11 ARG H    H   8.359 0.030 1 
        47  11  11 ARG HA   H   4.280 0.030 1 
        48  11  11 ARG HB2  H   1.858 0.030 2 
        49  11  11 ARG HB3  H   1.782 0.030 2 
        50  11  11 ARG HG2  H   1.696 0.030 2 
        51  11  11 ARG HG3  H   1.646 0.030 2 
        52  11  11 ARG HD2  H   3.224 0.030 1 
        53  11  11 ARG HD3  H   3.224 0.030 1 
        54  11  11 ARG CA   C  56.554 0.300 1 
        55  11  11 ARG CB   C  30.657 0.300 1 
        56  11  11 ARG CG   C  27.290 0.300 1 
        57  11  11 ARG CD   C  43.373 0.300 1 
        58  11  11 ARG N    N 119.939 0.300 1 
        59  12  12 ASN H    H   8.368 0.030 1 
        60  12  12 ASN HA   H   4.710 0.030 1 
        61  12  12 ASN HB2  H   2.993 0.030 2 
        62  12  12 ASN HB3  H   2.956 0.030 2 
        63  12  12 ASN HD21 H   7.078 0.030 2 
        64  12  12 ASN HD22 H   7.678 0.030 2 
        65  12  12 ASN C    C 174.771 0.300 1 
        66  12  12 ASN CA   C  53.415 0.300 1 
        67  12  12 ASN CB   C  38.558 0.300 1 
        68  12  12 ASN N    N 117.946 0.300 1 
        69  12  12 ASN ND2  N 112.893 0.300 1 
        70  13  13 VAL H    H   7.791 0.030 1 
        71  13  13 VAL HA   H   4.120 0.030 1 
        72  13  13 VAL HB   H   2.040 0.030 1 
        73  13  13 VAL HG1  H   0.890 0.030 1 
        74  13  13 VAL HG2  H   0.854 0.030 1 
        75  13  13 VAL C    C 176.806 0.300 1 
        76  13  13 VAL CA   C  62.081 0.300 1 
        77  13  13 VAL CB   C  32.613 0.300 1 
        78  13  13 VAL CG1  C  21.197 0.300 2 
        79  13  13 VAL CG2  C  20.755 0.300 2 
        80  13  13 VAL N    N 119.244 0.300 1 
        81  14  14 GLY H    H   8.483 0.030 1 
        82  14  14 GLY HA2  H   4.117 0.030 2 
        83  14  14 GLY HA3  H   3.927 0.030 2 
        84  14  14 GLY C    C 173.150 0.300 1 
        85  14  14 GLY CA   C  45.149 0.300 1 
        86  14  14 GLY N    N 112.717 0.300 1 
        87  15  15 SER H    H   8.184 0.030 1 
        88  15  15 SER HA   H   4.519 0.030 1 
        89  15  15 SER HB2  H   3.829 0.030 2 
        90  15  15 SER HB3  H   3.881 0.030 2 
        91  15  15 SER C    C 174.048 0.300 1 
        92  15  15 SER CA   C  57.935 0.300 1 
        93  15  15 SER CB   C  64.868 0.300 1 
        94  15  15 SER N    N 114.834 0.300 1 
        95  16  16 LEU H    H   8.399 0.030 1 
        96  16  16 LEU HA   H   4.449 0.030 1 
        97  16  16 LEU HB2  H   1.413 0.030 2 
        98  16  16 LEU HB3  H   1.325 0.030 2 
        99  16  16 LEU HG   H   1.378 0.030 1 
       100  16  16 LEU HD1  H   0.693 0.030 1 
       101  16  16 LEU HD2  H   0.781 0.030 1 
       102  16  16 LEU C    C 176.492 0.300 1 
       103  16  16 LEU CA   C  54.074 0.300 1 
       104  16  16 LEU CB   C  42.847 0.300 1 
       105  16  16 LEU CG   C  27.163 0.300 1 
       106  16  16 LEU CD1  C  25.669 0.300 2 
       107  16  16 LEU CD2  C  22.782 0.300 2 
       108  16  16 LEU N    N 122.369 0.300 1 
       109  17  17 ASP H    H   8.341 0.030 1 
       110  17  17 ASP HA   H   4.507 0.030 1 
       111  17  17 ASP HB2  H   2.867 0.030 2 
       112  17  17 ASP HB3  H   2.617 0.030 2 
       113  17  17 ASP C    C 176.653 0.300 1 
       114  17  17 ASP CA   C  54.015 0.300 1 
       115  17  17 ASP CB   C  40.890 0.300 1 
       116  17  17 ASP N    N 120.346 0.300 1 
       117  18  18 LYS H    H   8.319 0.030 1 
       118  18  18 LYS HA   H   4.011 0.030 1 
       119  18  18 LYS HB2  H   1.978 0.030 2 
       120  18  18 LYS HB3  H   1.793 0.030 2 
       121  18  18 LYS HG2  H   1.539 0.030 2 
       122  18  18 LYS HG3  H   1.394 0.030 2 
       123  18  18 LYS HD2  H   1.719 0.030 1 
       124  18  18 LYS HD3  H   1.719 0.030 1 
       125  18  18 LYS HE2  H   3.004 0.030 1 
       126  18  18 LYS HE3  H   3.004 0.030 1 
       127  18  18 LYS C    C 176.938 0.300 1 
       128  18  18 LYS CA   C  57.942 0.300 1 
       129  18  18 LYS CB   C  32.258 0.300 1 
       130  18  18 LYS CG   C  24.412 0.300 1 
       131  18  18 LYS CD   C  29.442 0.300 1 
       132  18  18 LYS CE   C  42.005 0.300 1 
       133  18  18 LYS N    N 124.207 0.300 1 
       134  19  19 THR H    H   8.418 0.030 1 
       135  19  19 THR HA   H   4.327 0.030 1 
       136  19  19 THR HB   H   4.339 0.030 1 
       137  19  19 THR HG2  H   1.255 0.030 1 
       138  19  19 THR C    C 175.471 0.300 1 
       139  19  19 THR CA   C  62.475 0.300 1 
       140  19  19 THR CB   C  69.548 0.300 1 
       141  19  19 THR CG2  C  21.959 0.300 1 
       142  19  19 THR N    N 111.410 0.300 1 
       143  20  20 SER H    H   7.687 0.030 1 
       144  20  20 SER HA   H   4.464 0.030 1 
       145  20  20 SER HB2  H   3.997 0.030 1 
       146  20  20 SER HB3  H   3.997 0.030 1 
       147  20  20 SER C    C 176.476 0.300 1 
       148  20  20 SER CA   C  57.882 0.300 1 
       149  20  20 SER CB   C  63.641 0.300 1 
       150  20  20 SER N    N 117.352 0.300 1 
       151  21  21 LYS H    H   8.916 0.030 1 
       152  21  21 LYS HA   H   4.213 0.030 1 
       153  21  21 LYS HB2  H   1.866 0.030 1 
       154  21  21 LYS HB3  H   1.866 0.030 1 
       155  21  21 LYS HG2  H   1.538 0.030 1 
       156  21  21 LYS HG3  H   1.538 0.030 1 
       157  21  21 LYS HD2  H   1.804 0.030 1 
       158  21  21 LYS HD3  H   1.804 0.030 1 
       159  21  21 LYS HE2  H   3.050 0.030 1 
       160  21  21 LYS HE3  H   3.050 0.030 1 
       161  21  21 LYS C    C 174.723 0.300 1 
       162  21  21 LYS CA   C  58.281 0.300 1 
       163  21  21 LYS CB   C  32.603 0.300 1 
       164  21  21 LYS CG   C  25.334 0.300 1 
       165  21  21 LYS CD   C  29.367 0.300 1 
       166  21  21 LYS CE   C  42.126 0.300 1 
       167  21  21 LYS N    N 127.022 0.300 1 
       168  22  22 ASN H    H   8.143 0.030 1 
       169  22  22 ASN HA   H   5.056 0.030 1 
       170  22  22 ASN HB2  H   3.538 0.030 2 
       171  22  22 ASN HB3  H   3.007 0.030 2 
       172  22  22 ASN HD21 H   7.564 0.030 2 
       173  22  22 ASN HD22 H   6.988 0.030 2 
       174  22  22 ASN C    C 173.125 0.300 1 
       175  22  22 ASN CA   C  53.024 0.300 1 
       176  22  22 ASN CB   C  38.790 0.300 1 
       177  22  22 ASN N    N 113.167 0.300 1 
       178  22  22 ASN ND2  N 112.343 0.300 1 
       179  23  23 VAL H    H   7.312 0.030 1 
       180  23  23 VAL HA   H   5.402 0.030 1 
       181  23  23 VAL HB   H   1.940 0.030 1 
       182  23  23 VAL HG1  H   0.925 0.030 1 
       183  23  23 VAL HG2  H   0.731 0.030 1 
       184  23  23 VAL C    C 176.299 0.300 1 
       185  23  23 VAL CA   C  59.981 0.300 1 
       186  23  23 VAL CB   C  35.411 0.300 1 
       187  23  23 VAL CG1  C  22.204 0.300 2 
       188  23  23 VAL CG2  C  21.117 0.300 2 
       189  23  23 VAL N    N 118.792 0.300 1 
       190  24  24 GLY H    H   8.804 0.030 1 
       191  24  24 GLY HA2  H   5.215 0.030 2 
       192  24  24 GLY HA3  H   3.834 0.030 2 
       193  24  24 GLY C    C 172.862 0.300 1 
       194  24  24 GLY CA   C  44.095 0.300 1 
       195  24  24 GLY N    N 112.565 0.300 1 
       196  25  25 THR H    H  10.322 0.030 1 
       197  25  25 THR HA   H   5.186 0.030 1 
       198  25  25 THR HB   H   3.984 0.030 1 
       199  25  25 THR HG2  H   1.139 0.030 1 
       200  25  25 THR C    C 173.276 0.300 1 
       201  25  25 THR CA   C  62.344 0.300 1 
       202  25  25 THR CB   C  70.402 0.300 1 
       203  25  25 THR CG2  C  21.525 0.300 1 
       204  25  25 THR N    N 122.440 0.300 1 
       205  26  26 GLY H    H   9.702 0.030 1 
       206  26  26 GLY HA2  H   4.537 0.030 2 
       207  26  26 GLY HA3  H   3.513 0.030 2 
       208  26  26 GLY C    C 170.288 0.300 1 
       209  26  26 GLY CA   C  44.495 0.300 1 
       210  26  26 GLY N    N 114.699 0.300 1 
       211  27  27 LEU H    H   8.542 0.030 1 
       212  27  27 LEU HA   H   5.457 0.030 1 
       213  27  27 LEU HB2  H   1.837 0.030 2 
       214  27  27 LEU HB3  H   1.273 0.030 2 
       215  27  27 LEU HG   H   1.417 0.030 1 
       216  27  27 LEU HD1  H   0.869 0.030 1 
       217  27  27 LEU HD2  H   0.865 0.030 1 
       218  27  27 LEU C    C 175.640 0.300 1 
       219  27  27 LEU CA   C  54.599 0.300 1 
       220  27  27 LEU CB   C  44.361 0.300 1 
       221  27  27 LEU CG   C  27.786 0.300 1 
       222  27  27 LEU CD1  C  24.551 0.300 2 
       223  27  27 LEU CD2  C  25.460 0.300 2 
       224  27  27 LEU N    N 127.723 0.300 1 
       225  28  28 VAL H    H   8.924 0.030 1 
       226  28  28 VAL HA   H   4.857 0.030 1 
       227  28  28 VAL HB   H   2.371 0.030 1 
       228  28  28 VAL HG1  H   0.835 0.030 1 
       229  28  28 VAL HG2  H   0.922 0.030 1 
       230  28  28 VAL C    C 174.176 0.300 1 
       231  28  28 VAL CA   C  59.325 0.300 1 
       232  28  28 VAL CB   C  36.157 0.300 1 
       233  28  28 VAL CG1  C  22.338 0.300 2 
       234  28  28 VAL CG2  C  19.769 0.300 2 
       235  28  28 VAL N    N 119.588 0.300 1 
       236  29  29 GLY H    H   8.484 0.030 1 
       237  29  29 GLY HA2  H   3.809 0.030 2 
       238  29  29 GLY HA3  H   5.028 0.030 2 
       239  29  29 GLY C    C 172.451 0.300 1 
       240  29  29 GLY CA   C  44.935 0.300 1 
       241  29  29 GLY N    N 107.396 0.300 1 
       242  30  30 ALA H    H   8.317 0.030 1 
       243  30  30 ALA HA   H   5.248 0.030 1 
       244  30  30 ALA HB   H   1.583 0.030 1 
       245  30  30 ALA C    C 175.366 0.300 1 
       246  30  30 ALA CA   C  48.594 0.300 1 
       247  30  30 ALA CB   C  20.009 0.300 1 
       248  30  30 ALA N    N 121.782 0.300 1 
       249  31  31 PRO HA   H   4.329 0.030 1 
       250  31  31 PRO HB2  H   2.330 0.030 2 
       251  31  31 PRO HB3  H   1.987 0.030 2 
       252  31  31 PRO HG2  H   2.016 0.030 2 
       253  31  31 PRO HG3  H   2.049 0.030 2 
       254  31  31 PRO HD2  H   3.944 0.030 2 
       255  31  31 PRO HD3  H   3.644 0.030 2 
       256  31  31 PRO CA   C  64.893 0.300 1 
       257  31  31 PRO CB   C  32.259 0.300 1 
       258  31  31 PRO CG   C  27.025 0.300 1 
       259  31  31 PRO CD   C  51.365 0.300 1 
       260  32  32 ALA H    H   8.393 0.030 1 
       261  32  32 ALA HA   H   4.112 0.030 1 
       262  32  32 ALA HB   H   1.330 0.030 1 
       263  32  32 ALA CA   C  54.888 0.300 1 
       264  32  32 ALA CB   C  17.761 0.300 1 
       265  32  32 ALA N    N 120.667 0.300 1 
       266  33  33 CYS H    H   7.248 0.030 1 
       267  33  33 CYS HA   H   4.139 0.030 1 
       268  33  33 CYS HB2  H   2.108 0.030 2 
       269  33  33 CYS HB3  H   2.298 0.030 2 
       270  33  33 CYS C    C 175.833 0.300 1 
       271  33  33 CYS CA   C  60.244 0.300 1 
       272  33  33 CYS CB   C  30.448 0.300 1 
       273  33  33 CYS N    N 117.113 0.300 1 
       274  34  34 GLY H    H   8.349 0.030 1 
       275  34  34 GLY HA2  H   4.433 0.030 2 
       276  34  34 GLY HA3  H   3.589 0.030 2 
       277  34  34 GLY C    C 174.361 0.300 1 
       278  34  34 GLY CA   C  44.493 0.300 1 
       279  34  34 GLY N    N 104.418 0.300 1 
       280  35  35 ASP H    H   6.774 0.030 1 
       281  35  35 ASP HA   H   5.456 0.030 1 
       282  35  35 ASP HB2  H   2.679 0.030 2 
       283  35  35 ASP HB3  H   2.453 0.030 2 
       284  35  35 ASP C    C 176.749 0.300 1 
       285  35  35 ASP CA   C  54.693 0.300 1 
       286  35  35 ASP CB   C  42.743 0.300 1 
       287  35  35 ASP N    N 118.004 0.300 1 
       288  36  36 VAL H    H   9.298 0.030 1 
       289  36  36 VAL HA   H   4.708 0.030 1 
       290  36  36 VAL HB   H   1.999 0.030 1 
       291  36  36 VAL HG1  H   0.992 0.030 1 
       292  36  36 VAL HG2  H   0.999 0.030 1 
       293  36  36 VAL C    C 173.925 0.300 1 
       294  36  36 VAL CA   C  62.606 0.300 1 
       295  36  36 VAL CB   C  35.961 0.300 1 
       296  36  36 VAL CG1  C  21.513 0.300 2 
       297  36  36 VAL CG2  C  21.415 0.300 2 
       298  36  36 VAL N    N 123.307 0.300 1 
       299  37  37 MET H    H   9.183 0.030 1 
       300  37  37 MET HA   H   5.117 0.030 1 
       301  37  37 MET HB2  H   1.764 0.030 2 
       302  37  37 MET HB3  H   1.649 0.030 2 
       303  37  37 MET HG2  H   2.582 0.030 1 
       304  37  37 MET HG3  H   2.582 0.030 1 
       305  37  37 MET HE   H   1.863 0.030 1 
       306  37  37 MET C    C 171.984 0.300 1 
       307  37  37 MET CA   C  55.190 0.300 1 
       308  37  37 MET CB   C  36.558 0.300 1 
       309  37  37 MET CG   C  32.053 0.300 1 
       310  37  37 MET CE   C  18.348 0.300 1 
       311  37  37 MET N    N 127.387 0.300 1 
       312  38  38 LYS H    H   8.681 0.030 1 
       313  38  38 LYS HA   H   5.504 0.030 1 
       314  38  38 LYS HB2  H   2.107 0.030 2 
       315  38  38 LYS HB3  H   1.708 0.030 2 
       316  38  38 LYS HG2  H   1.361 0.030 2 
       317  38  38 LYS HG3  H   1.208 0.030 2 
       318  38  38 LYS HD2  H   1.665 0.030 1 
       319  38  38 LYS HD3  H   1.665 0.030 1 
       320  38  38 LYS HE2  H   2.874 0.030 2 
       321  38  38 LYS HE3  H   2.768 0.030 2 
       322  38  38 LYS CA   C  54.189 0.300 1 
       323  38  38 LYS CB   C  35.188 0.300 1 
       324  38  38 LYS CG   C  25.329 0.300 1 
       325  38  38 LYS CD   C  30.054 0.300 1 
       326  38  38 LYS CE   C  41.999 0.300 1 
       327  38  38 LYS N    N 127.732 0.300 1 
       328  39  39 LEU H    H   9.286 0.030 1 
       329  39  39 LEU HA   H   5.207 0.030 1 
       330  39  39 LEU HB2  H   1.656 0.030 2 
       331  39  39 LEU HB3  H   1.213 0.030 2 
       332  39  39 LEU HG   H   1.400 0.030 1 
       333  39  39 LEU HD1  H   0.814 0.030 1 
       334  39  39 LEU HD2  H   0.725 0.030 1 
       335  39  39 LEU CA   C  53.508 0.300 1 
       336  39  39 LEU CB   C  46.744 0.300 1 
       337  39  39 LEU CG   C  28.276 0.300 1 
       338  39  39 LEU CD1  C  24.675 0.300 2 
       339  39  39 LEU CD2  C  26.632 0.300 2 
       340  39  39 LEU N    N 128.374 0.300 1 
       341  40  40 GLN H    H   9.221 0.030 1 
       342  40  40 GLN HA   H   5.888 0.030 1 
       343  40  40 GLN HB2  H   1.856 0.030 2 
       344  40  40 GLN HB3  H   1.825 0.030 2 
       345  40  40 GLN HG2  H   2.151 0.030 2 
       346  40  40 GLN HG3  H   2.541 0.030 2 
       347  40  40 GLN HE21 H   7.607 0.030 2 
       348  40  40 GLN HE22 H   6.789 0.030 2 
       349  40  40 GLN CA   C  53.791 0.300 1 
       350  40  40 GLN CB   C  34.644 0.300 1 
       351  40  40 GLN CG   C  35.731 0.300 1 
       352  40  40 GLN N    N 123.271 0.300 1 
       353  40  40 GLN NE2  N 112.653 0.300 1 
       354  41  41 ILE H    H   9.177 0.030 1 
       355  41  41 ILE HA   H   4.934 0.030 1 
       356  41  41 ILE HB   H   1.721 0.030 1 
       357  41  41 ILE HG12 H   1.056 0.030 2 
       358  41  41 ILE HG13 H   1.461 0.030 2 
       359  41  41 ILE HG2  H   0.820 0.030 1 
       360  41  41 ILE HD1  H   0.649 0.030 1 
       361  41  41 ILE C    C 172.962 0.300 1 
       362  41  41 ILE CA   C  59.046 0.300 1 
       363  41  41 ILE CB   C  41.867 0.300 1 
       364  41  41 ILE CG1  C  26.064 0.300 1 
       365  41  41 ILE CG2  C  18.157 0.300 1 
       366  41  41 ILE CD1  C  14.057 0.300 1 
       367  41  41 ILE N    N 116.662 0.300 1 
       368  42  42 GLN H    H   8.385 0.030 1 
       369  42  42 GLN HA   H   5.226 0.030 1 
       370  42  42 GLN HB2  H   1.882 0.030 2 
       371  42  42 GLN HB3  H   1.792 0.030 2 
       372  42  42 GLN HG2  H   2.012 0.030 2 
       373  42  42 GLN HG3  H   2.139 0.030 2 
       374  42  42 GLN HE21 H   7.349 0.030 2 
       375  42  42 GLN HE22 H   6.744 0.030 2 
       376  42  42 GLN C    C 174.113 0.300 1 
       377  42  42 GLN CA   C  54.224 0.300 1 
       378  42  42 GLN CB   C  31.892 0.300 1 
       379  42  42 GLN CG   C  33.565 0.300 1 
       380  42  42 GLN N    N 123.631 0.300 1 
       381  42  42 GLN NE2  N 110.844 0.300 1 
       382  43  43 VAL H    H   8.773 0.030 1 
       383  43  43 VAL HA   H   4.729 0.030 1 
       384  43  43 VAL HB   H   1.546 0.030 1 
       385  43  43 VAL HG1  H   0.791 0.030 1 
       386  43  43 VAL HG2  H  -0.079 0.030 1 
       387  43  43 VAL C    C 176.665 0.300 1 
       388  43  43 VAL CA   C  60.705 0.300 1 
       389  43  43 VAL CB   C  34.123 0.300 1 
       390  43  43 VAL CG1  C  21.238 0.300 2 
       391  43  43 VAL CG2  C  20.683 0.300 2 
       392  43  43 VAL N    N 128.742 0.300 1 
       393  44  44 ASP H    H   9.211 0.030 1 
       394  44  44 ASP HA   H   4.794 0.030 1 
       395  44  44 ASP HB2  H   3.318 0.030 2 
       396  44  44 ASP HB3  H   2.709 0.030 2 
       397  44  44 ASP C    C 178.301 0.300 1 
       398  44  44 ASP CA   C  52.839 0.300 1 
       399  44  44 ASP CB   C  41.343 0.300 1 
       400  44  44 ASP N    N 128.126 0.300 1 
       401  45  45 GLU H    H   8.977 0.030 1 
       402  45  45 GLU HA   H   4.267 0.030 1 
       403  45  45 GLU HB2  H   2.200 0.030 2 
       404  45  45 GLU HB3  H   2.122 0.030 2 
       405  45  45 GLU HG2  H   2.422 0.030 2 
       406  45  45 GLU HG3  H   2.358 0.030 2 
       407  45  45 GLU C    C 177.297 0.300 1 
       408  45  45 GLU CA   C  58.537 0.300 1 
       409  45  45 GLU CB   C  28.853 0.300 1 
       410  45  45 GLU CG   C  36.364 0.300 1 
       411  45  45 GLU N    N 116.340 0.300 1 
       412  46  46 LYS H    H   8.284 0.030 1 
       413  46  46 LYS HA   H   4.519 0.030 1 
       414  46  46 LYS HB2  H   2.040 0.030 2 
       415  46  46 LYS HB3  H   1.964 0.030 2 
       416  46  46 LYS HG2  H   1.454 0.030 2 
       417  46  46 LYS HG3  H   1.392 0.030 2 
       418  46  46 LYS HD2  H   1.691 0.030 1 
       419  46  46 LYS HD3  H   1.691 0.030 1 
       420  46  46 LYS HE2  H   3.015 0.030 1 
       421  46  46 LYS HE3  H   3.015 0.030 1 
       422  46  46 LYS C    C 177.015 0.300 1 
       423  46  46 LYS CA   C  55.141 0.300 1 
       424  46  46 LYS CB   C  32.341 0.300 1 
       425  46  46 LYS CG   C  25.169 0.300 1 
       426  46  46 LYS CD   C  28.802 0.300 1 
       427  46  46 LYS CE   C  42.255 0.300 1 
       428  46  46 LYS N    N 119.340 0.300 1 
       429  47  47 GLY H    H   7.879 0.030 1 
       430  47  47 GLY HA2  H   4.290 0.030 2 
       431  47  47 GLY HA3  H   3.508 0.030 2 
       432  47  47 GLY C    C 172.934 0.300 1 
       433  47  47 GLY CA   C  45.801 0.300 1 
       434  47  47 GLY N    N 108.254 0.300 1 
       435  48  48 LYS H    H   8.516 0.030 1 
       436  48  48 LYS HA   H   4.351 0.030 1 
       437  48  48 LYS HB2  H   1.662 0.030 1 
       438  48  48 LYS HB3  H   1.662 0.030 1 
       439  48  48 LYS HG2  H   1.130 0.030 2 
       440  48  48 LYS HG3  H   1.046 0.030 2 
       441  48  48 LYS HD2  H   1.549 0.030 1 
       442  48  48 LYS HD3  H   1.549 0.030 1 
       443  48  48 LYS HE2  H   2.917 0.030 1 
       444  48  48 LYS HE3  H   2.917 0.030 1 
       445  48  48 LYS C    C 175.370 0.300 1 
       446  48  48 LYS CA   C  55.146 0.300 1 
       447  48  48 LYS CB   C  33.519 0.300 1 
       448  48  48 LYS CG   C  25.129 0.300 1 
       449  48  48 LYS CD   C  29.075 0.300 1 
       450  48  48 LYS CE   C  42.044 0.300 1 
       451  48  48 LYS N    N 121.280 0.300 1 
       452  49  49 ILE H    H   8.932 0.030 1 
       453  49  49 ILE HA   H   4.279 0.030 1 
       454  49  49 ILE HB   H   2.364 0.030 1 
       455  49  49 ILE HG12 H   1.672 0.030 2 
       456  49  49 ILE HG13 H   0.661 0.030 2 
       457  49  49 ILE HG2  H   0.825 0.030 1 
       458  49  49 ILE HD1  H   0.753 0.030 1 
       459  49  49 ILE C    C 176.661 0.300 1 
       460  49  49 ILE CA   C  62.606 0.300 1 
       461  49  49 ILE CB   C  36.301 0.300 1 
       462  49  49 ILE CG1  C  29.398 0.300 1 
       463  49  49 ILE CG2  C  18.739 0.300 1 
       464  49  49 ILE CD1  C  14.990 0.300 1 
       465  49  49 ILE N    N 125.266 0.300 1 
       466  50  50 VAL H    H   8.664 0.030 1 
       467  50  50 VAL HA   H   4.447 0.030 1 
       468  50  50 VAL HB   H   2.266 0.030 1 
       469  50  50 VAL HG1  H   0.966 0.030 1 
       470  50  50 VAL HG2  H   0.809 0.030 1 
       471  50  50 VAL C    C 175.889 0.300 1 
       472  50  50 VAL CA   C  61.408 0.300 1 
       473  50  50 VAL CB   C  32.778 0.300 1 
       474  50  50 VAL CG1  C  22.453 0.300 2 
       475  50  50 VAL CG2  C  18.503 0.300 2 
       476  50  50 VAL N    N 123.815 0.300 1 
       477  51  51 ASP H    H   7.909 0.030 1 
       478  51  51 ASP HA   H   4.772 0.030 1 
       479  51  51 ASP HB2  H   2.672 0.030 2 
       480  51  51 ASP HB3  H   2.398 0.030 2 
       481  51  51 ASP C    C 173.126 0.300 1 
       482  51  51 ASP CA   C  53.326 0.300 1 
       483  51  51 ASP CB   C  43.972 0.300 1 
       484  51  51 ASP N    N 118.475 0.300 1 
       485  52  52 ALA H    H   8.627 0.030 1 
       486  52  52 ALA HA   H   5.305 0.030 1 
       487  52  52 ALA HB   H   1.376 0.030 1 
       488  52  52 ALA C    C 174.852 0.300 1 
       489  52  52 ALA CA   C  51.933 0.300 1 
       490  52  52 ALA CB   C  22.730 0.300 1 
       491  52  52 ALA N    N 123.758 0.300 1 
       492  53  53 ARG H    H   8.972 0.030 1 
       493  53  53 ARG HA   H   5.034 0.030 1 
       494  53  53 ARG HB2  H   1.811 0.030 2 
       495  53  53 ARG HB3  H   1.494 0.030 2 
       496  53  53 ARG HG2  H   1.455 0.030 2 
       497  53  53 ARG HG3  H   1.388 0.030 2 
       498  53  53 ARG HD2  H   2.944 0.030 2 
       499  53  53 ARG HD3  H   3.254 0.030 2 
       500  53  53 ARG C    C 174.160 0.300 1 
       501  53  53 ARG CA   C  53.831 0.300 1 
       502  53  53 ARG CB   C  35.042 0.300 1 
       503  53  53 ARG CG   C  27.421 0.300 1 
       504  53  53 ARG CD   C  43.207 0.300 1 
       505  53  53 ARG N    N 119.166 0.300 1 
       506  54  54 PHE H    H   8.733 0.030 1 
       507  54  54 PHE HA   H   5.980 0.030 1 
       508  54  54 PHE HB2  H   3.039 0.030 1 
       509  54  54 PHE HB3  H   3.039 0.030 1 
       510  54  54 PHE HD1  H   7.317 0.030 1 
       511  54  54 PHE HD2  H   7.317 0.030 1 
       512  54  54 PHE HE1  H   7.348 0.030 1 
       513  54  54 PHE HE2  H   7.348 0.030 1 
       514  54  54 PHE HZ   H   7.287 0.030 1 
       515  54  54 PHE CA   C  55.501 0.300 1 
       516  54  54 PHE CB   C  43.087 0.300 1 
       517  54  54 PHE CD1  C 132.943 0.300 1 
       518  54  54 PHE CD2  C 132.943 0.300 1 
       519  54  54 PHE CE1  C 130.916 0.300 1 
       520  54  54 PHE CE2  C 130.916 0.300 1 
       521  54  54 PHE CZ   C 129.666 0.300 1 
       522  54  54 PHE N    N 118.992 0.300 1 
       523  55  55 LYS H    H   8.909 0.030 1 
       524  55  55 LYS HA   H   4.288 0.030 1 
       525  55  55 LYS HB2  H   1.727 0.030 2 
       526  55  55 LYS HB3  H   1.683 0.030 2 
       527  55  55 LYS HG2  H   1.310 0.030 2 
       528  55  55 LYS HG3  H   1.236 0.030 2 
       529  55  55 LYS HD2  H   1.652 0.030 1 
       530  55  55 LYS HD3  H   1.652 0.030 1 
       531  55  55 LYS HE2  H   2.862 0.030 2 
       532  55  55 LYS HE3  H   2.932 0.030 2 
       533  55  55 LYS CA   C  56.792 0.300 1 
       534  55  55 LYS CB   C  35.250 0.300 1 
       535  55  55 LYS CG   C  24.673 0.300 1 
       536  55  55 LYS CD   C  28.974 0.300 1 
       537  55  55 LYS CE   C  42.180 0.300 1 
       538  55  55 LYS N    N 121.412 0.300 1 
       539  56  56 THR H    H   8.798 0.030 1 
       540  56  56 THR HA   H   5.462 0.030 1 
       541  56  56 THR HB   H   3.893 0.030 1 
       542  56  56 THR HG2  H   0.899 0.030 1 
       543  56  56 THR C    C 172.094 0.300 1 
       544  56  56 THR CA   C  60.854 0.300 1 
       545  56  56 THR CB   C  72.182 0.300 1 
       546  56  56 THR CG2  C  22.909 0.300 1 
       547  56  56 THR N    N 125.460 0.300 1 
       548  57  57 PHE H    H   8.945 0.030 1 
       549  57  57 PHE HA   H   4.906 0.030 1 
       550  57  57 PHE HB2  H   3.152 0.030 2 
       551  57  57 PHE HB3  H   3.009 0.030 2 
       552  57  57 PHE HD1  H   7.272 0.030 1 
       553  57  57 PHE HD2  H   7.272 0.030 1 
       554  57  57 PHE HE1  H   7.340 0.030 1 
       555  57  57 PHE HE2  H   7.340 0.030 1 
       556  57  57 PHE HZ   H   7.288 0.030 1 
       557  57  57 PHE C    C 174.096 0.300 1 
       558  57  57 PHE CA   C  55.908 0.300 1 
       559  57  57 PHE CB   C  41.343 0.300 1 
       560  57  57 PHE CD1  C 132.208 0.300 1 
       561  57  57 PHE CD2  C 132.208 0.300 1 
       562  57  57 PHE CE1  C 131.204 0.300 1 
       563  57  57 PHE CE2  C 131.204 0.300 1 
       564  57  57 PHE CZ   C 129.662 0.300 1 
       565  57  57 PHE N    N 126.809 0.300 1 
       566  58  58 GLY H    H   8.188 0.030 1 
       567  58  58 GLY HA2  H   3.675 0.030 2 
       568  58  58 GLY HA3  H   5.217 0.030 2 
       569  58  58 GLY C    C 172.571 0.300 1 
       570  58  58 GLY CA   C  45.074 0.300 1 
       571  58  58 GLY N    N 111.124 0.300 1 
       572  59  59 CYS H    H   9.236 0.030 1 
       573  59  59 CYS HA   H   4.577 0.030 1 
       574  59  59 CYS HB2  H   3.396 0.030 2 
       575  59  59 CYS HB3  H   2.981 0.030 2 
       576  59  59 CYS C    C 176.138 0.300 1 
       577  59  59 CYS CA   C  57.750 0.300 1 
       578  59  59 CYS CB   C  31.235 0.300 1 
       579  59  59 CYS N    N 122.004 0.300 1 
       580  60  60 GLY H    H   8.833 0.030 1 
       581  60  60 GLY HA2  H   3.797 0.030 2 
       582  60  60 GLY HA3  H   4.085 0.030 2 
       583  60  60 GLY CA   C  47.976 0.300 1 
       584  60  60 GLY N    N 108.163 0.300 1 
       585  61  61 SER H    H   8.233 0.030 1 
       586  61  61 SER HA   H   4.436 0.030 1 
       587  61  61 SER HB2  H   4.114 0.030 2 
       588  61  61 SER HB3  H   3.769 0.030 2 
       589  61  61 SER C    C 176.050 0.300 1 
       590  61  61 SER CA   C  62.348 0.300 1 
       591  61  61 SER CB   C  63.788 0.300 1 
       592  62  62 ALA H    H   8.543 0.030 1 
       593  62  62 ALA HA   H   3.865 0.030 1 
       594  62  62 ALA HB   H   1.528 0.030 1 
       595  62  62 ALA C    C 179.713 0.300 1 
       596  62  62 ALA CA   C  56.014 0.300 1 
       597  62  62 ALA CB   C  16.719 0.300 1 
       598  62  62 ALA N    N 132.215 0.300 1 
       599  63  63 ILE H    H   7.803 0.030 1 
       600  63  63 ILE HA   H   3.353 0.030 1 
       601  63  63 ILE HB   H   2.016 0.030 1 
       602  63  63 ILE HG12 H   1.579 0.030 2 
       603  63  63 ILE HG13 H   1.047 0.030 2 
       604  63  63 ILE HG2  H   1.046 0.030 1 
       605  63  63 ILE HD1  H   0.867 0.030 1 
       606  63  63 ILE C    C 178.098 0.300 1 
       607  63  63 ILE CA   C  66.027 0.300 1 
       608  63  63 ILE CB   C  37.794 0.300 1 
       609  63  63 ILE CG1  C  29.398 0.300 1 
       610  63  63 ILE CG2  C  17.569 0.300 1 
       611  63  63 ILE CD1  C  13.262 0.300 1 
       612  63  63 ILE N    N 121.958 0.300 1 
       613  64  64 ALA H    H   8.108 0.030 1 
       614  64  64 ALA HA   H   4.053 0.030 1 
       615  64  64 ALA HB   H   1.453 0.030 1 
       616  64  64 ALA CA   C  55.256 0.300 1 
       617  64  64 ALA CB   C  18.572 0.300 1 
       618  64  64 ALA N    N 121.776 0.300 1 
       619  65  65 SER H    H   8.018 0.030 1 
       620  65  65 SER HA   H   3.818 0.030 1 
       621  65  65 SER HB2  H   3.316 0.030 2 
       622  65  65 SER HB3  H   3.665 0.030 2 
       623  65  65 SER CA   C  62.619 0.300 1 
       624  65  65 SER CB   C  63.220 0.300 1 
       625  65  65 SER N    N 114.538 0.300 1 
       626  66  66 SER H    H   7.811 0.030 1 
       627  66  66 SER HA   H   3.627 0.030 1 
       628  66  66 SER HB2  H   3.090 0.030 2 
       629  66  66 SER HB3  H   3.355 0.030 2 
       630  66  66 SER CA   C  61.463 0.300 1 
       631  66  66 SER CB   C  62.875 0.300 1 
       632  66  66 SER N    N 117.105 0.300 1 
       633  67  67 SER H    H   7.693 0.030 1 
       634  67  67 SER HA   H   3.757 0.030 1 
       635  67  67 SER HB2  H   3.847 0.030 1 
       636  67  67 SER HB3  H   3.847 0.030 1 
       637  67  67 SER C    C 176.677 0.300 1 
       638  67  67 SER CA   C  61.109 0.300 1 
       639  67  67 SER CB   C  62.645 0.300 1 
       640  67  67 SER N    N 117.939 0.300 1 
       641  68  68 LEU H    H   7.439 0.030 1 
       642  68  68 LEU HA   H   3.891 0.030 1 
       643  68  68 LEU HB2  H   1.295 0.030 2 
       644  68  68 LEU HB3  H   1.337 0.030 2 
       645  68  68 LEU HG   H   0.474 0.030 1 
       646  68  68 LEU HD1  H   0.301 0.030 1 
       647  68  68 LEU HD2  H   0.460 0.030 1 
       648  68  68 LEU C    C 177.843 0.300 1 
       649  68  68 LEU CA   C  57.593 0.300 1 
       650  68  68 LEU CB   C  42.125 0.300 1 
       651  68  68 LEU CG   C  26.291 0.300 1 
       652  68  68 LEU CD1  C  26.270 0.300 2 
       653  68  68 LEU CD2  C  23.362 0.300 2 
       654  68  68 LEU N    N 121.131 0.300 1 
       655  69  69 ALA H    H   7.883 0.030 1 
       656  69  69 ALA HA   H   3.691 0.030 1 
       657  69  69 ALA HB   H   1.284 0.030 1 
       658  69  69 ALA C    C 178.169 0.300 1 
       659  69  69 ALA CA   C  55.818 0.300 1 
       660  69  69 ALA CB   C  18.372 0.300 1 
       661  69  69 ALA N    N 118.550 0.300 1 
       662  70  70 THR H    H   7.505 0.030 1 
       663  70  70 THR HA   H   3.687 0.030 1 
       664  70  70 THR HB   H   4.212 0.030 1 
       665  70  70 THR HG2  H   1.251 0.030 1 
       666  70  70 THR C    C 175.205 0.300 1 
       667  70  70 THR CA   C  66.808 0.300 1 
       668  70  70 THR CB   C  68.386 0.300 1 
       669  70  70 THR CG2  C  22.836 0.300 1 
       670  70  70 THR N    N 109.040 0.300 1 
       671  71  71 GLU H    H   7.462 0.030 1 
       672  71  71 GLU HA   H   4.176 0.030 1 
       673  71  71 GLU HB2  H   2.179 0.030 1 
       674  71  71 GLU HB3  H   2.179 0.030 1 
       675  71  71 GLU HG2  H   2.429 0.030 1 
       676  71  71 GLU HG3  H   2.429 0.030 1 
       677  71  71 GLU C    C 179.737 0.300 1 
       678  71  71 GLU CA   C  58.638 0.300 1 
       679  71  71 GLU CB   C  29.529 0.300 1 
       680  71  71 GLU CG   C  35.961 0.300 1 
       681  71  71 GLU N    N 118.584 0.300 1 
       682  72  72 TRP H    H   8.673 0.030 1 
       683  72  72 TRP HA   H   4.574 0.030 1 
       684  72  72 TRP HB2  H   3.310 0.030 2 
       685  72  72 TRP HB3  H   3.116 0.030 2 
       686  72  72 TRP HD1  H   7.106 0.030 1 
       687  72  72 TRP HE1  H  10.271 0.030 1 
       688  72  72 TRP HE3  H   7.250 0.030 1 
       689  72  72 TRP HZ2  H   7.367 0.030 1 
       690  72  72 TRP HZ3  H   6.846 0.030 1 
       691  72  72 TRP HH2  H   7.070 0.030 1 
       692  72  72 TRP C    C 178.245 0.300 1 
       693  72  72 TRP CA   C  58.672 0.300 1 
       694  72  72 TRP CB   C  29.705 0.300 1 
       695  72  72 TRP CD1  C 124.552 0.300 1 
       696  72  72 TRP CE3  C 119.426 0.300 1 
       697  72  72 TRP CZ2  C 114.773 0.300 1 
       698  72  72 TRP CZ3  C 121.047 0.300 1 
       699  72  72 TRP CH2  C 124.125 0.300 1 
       700  72  72 TRP N    N 118.600 0.300 1 
       701  72  72 TRP NE1  N 128.907 0.300 1 
       702  73  73 VAL H    H   7.876 0.030 1 
       703  73  73 VAL HA   H   3.955 0.030 1 
       704  73  73 VAL HB   H   2.335 0.030 1 
       705  73  73 VAL HG1  H   1.121 0.030 1 
       706  73  73 VAL HG2  H   1.059 0.030 1 
       707  73  73 VAL C    C 175.563 0.300 1 
       708  73  73 VAL CA   C  63.998 0.300 1 
       709  73  73 VAL CB   C  31.844 0.300 1 
       710  73  73 VAL CG1  C  22.288 0.300 2 
       711  73  73 VAL CG2  C  20.440 0.300 2 
       712  73  73 VAL N    N 110.114 0.300 1 
       713  74  74 LYS H    H   6.782 0.030 1 
       714  74  74 LYS HA   H   3.640 0.030 1 
       715  74  74 LYS HB2  H   1.855 0.030 1 
       716  74  74 LYS HB3  H   1.855 0.030 1 
       717  74  74 LYS HG2  H   1.863 0.030 2 
       718  74  74 LYS HG3  H   1.097 0.030 2 
       719  74  74 LYS HD2  H   1.857 0.030 1 
       720  74  74 LYS HD3  H   1.857 0.030 1 
       721  74  74 LYS HE2  H   3.115 0.030 2 
       722  74  74 LYS HE3  H   3.072 0.030 2 
       723  74  74 LYS C    C 177.397 0.300 1 
       724  74  74 LYS CA   C  59.266 0.300 1 
       725  74  74 LYS CB   C  32.290 0.300 1 
       726  74  74 LYS CG   C  26.352 0.300 1 
       727  74  74 LYS CD   C  30.174 0.300 1 
       728  74  74 LYS CE   C  42.262 0.300 1 
       729  74  74 LYS N    N 118.340 0.300 1 
       730  75  75 GLY H    H   9.014 0.030 1 
       731  75  75 GLY HA2  H   4.302 0.030 2 
       732  75  75 GLY HA3  H   3.591 0.030 2 
       733  75  75 GLY C    C 174.249 0.300 1 
       734  75  75 GLY CA   C  45.314 0.300 1 
       735  75  75 GLY N    N 112.403 0.300 1 
       736  76  76 LYS H    H   7.710 0.030 1 
       737  76  76 LYS HA   H   4.630 0.030 1 
       738  76  76 LYS HB2  H   2.011 0.030 1 
       739  76  76 LYS HB3  H   2.011 0.030 1 
       740  76  76 LYS HG2  H   1.272 0.030 2 
       741  76  76 LYS HG3  H   1.323 0.030 2 
       742  76  76 LYS HD2  H   1.416 0.030 2 
       743  76  76 LYS HD3  H   1.268 0.030 2 
       744  76  76 LYS HE2  H   2.760 0.030 2 
       745  76  76 LYS HE3  H   2.555 0.030 2 
       746  76  76 LYS C    C 176.950 0.300 1 
       747  76  76 LYS CA   C  54.981 0.300 1 
       748  76  76 LYS CB   C  34.178 0.300 1 
       749  76  76 LYS CG   C  26.083 0.300 1 
       750  76  76 LYS CD   C  28.505 0.300 1 
       751  76  76 LYS CE   C  42.384 0.300 1 
       752  76  76 LYS N    N 120.291 0.300 1 
       753  77  77 THR H    H   8.770 0.030 1 
       754  77  77 THR HA   H   5.113 0.030 1 
       755  77  77 THR HB   H   4.768 0.030 1 
       756  77  77 THR HG2  H   1.289 0.030 1 
       757  77  77 THR C    C 176.335 0.300 1 
       758  77  77 THR CA   C  60.955 0.300 1 
       759  77  77 THR CB   C  71.075 0.300 1 
       760  77  77 THR CG2  C  22.221 0.300 1 
       761  77  77 THR N    N 110.158 0.300 1 
       762  78  78 VAL H    H   8.290 0.030 1 
       763  78  78 VAL HA   H   3.563 0.030 1 
       764  78  78 VAL HB   H   2.210 0.030 1 
       765  78  78 VAL HG1  H   0.998 0.030 1 
       766  78  78 VAL HG2  H   0.961 0.030 1 
       767  78  78 VAL C    C 177.264 0.300 1 
       768  78  78 VAL CA   C  66.982 0.300 1 
       769  78  78 VAL CB   C  31.799 0.300 1 
       770  78  78 VAL CG1  C  21.723 0.300 2 
       771  78  78 VAL CG2  C  21.664 0.300 2 
       772  78  78 VAL N    N 118.189 0.300 1 
       773  79  79 GLU H    H   8.129 0.030 1 
       774  79  79 GLU HA   H   4.040 0.030 1 
       775  79  79 GLU HB2  H   2.024 0.030 2 
       776  79  79 GLU HB3  H   1.978 0.030 2 
       777  79  79 GLU HG2  H   2.384 0.030 2 
       778  79  79 GLU HG3  H   2.311 0.030 2 
       779  79  79 GLU C    C 179.821 0.300 1 
       780  79  79 GLU CA   C  59.910 0.300 1 
       781  79  79 GLU CB   C  29.278 0.300 1 
       782  79  79 GLU CG   C  37.023 0.300 1 
       783  79  79 GLU N    N 115.777 0.300 1 
       784  80  80 GLU H    H   7.854 0.030 1 
       785  80  80 GLU HA   H   4.057 0.030 1 
       786  80  80 GLU HB2  H   2.363 0.030 2 
       787  80  80 GLU HB3  H   1.908 0.030 2 
       788  80  80 GLU HG2  H   2.247 0.030 2 
       789  80  80 GLU HG3  H   2.382 0.030 2 
       790  80  80 GLU C    C 180.802 0.300 1 
       791  80  80 GLU CA   C  58.537 0.300 1 
       792  80  80 GLU CB   C  30.579 0.300 1 
       793  80  80 GLU CG   C  37.011 0.300 1 
       794  80  80 GLU N    N 119.639 0.300 1 
       795  81  81 ALA H    H   8.960 0.030 1 
       796  81  81 ALA HA   H   4.053 0.030 1 
       797  81  81 ALA HB   H   1.435 0.030 1 
       798  81  81 ALA C    C 178.326 0.300 1 
       799  81  81 ALA CA   C  54.946 0.300 1 
       800  81  81 ALA CB   C  18.530 0.300 1 
       801  81  81 ALA N    N 124.313 0.300 1 
       802  82  82 LEU H    H   7.444 0.030 1 
       803  82  82 LEU HA   H   4.054 0.030 1 
       804  82  82 LEU HB2  H   1.936 0.030 2 
       805  82  82 LEU HB3  H   1.697 0.030 2 
       806  82  82 LEU HG   H   1.949 0.030 1 
       807  82  82 LEU HD1  H   0.973 0.030 1 
       808  82  82 LEU HD2  H   0.973 0.030 1 
       809  82  82 LEU C    C 177.324 0.300 1 
       810  82  82 LEU CA   C  56.531 0.300 1 
       811  82  82 LEU CB   C  42.455 0.300 1 
       812  82  82 LEU CG   C  26.641 0.300 1 
       813  82  82 LEU CD1  C  24.182 0.300 2 
       814  82  82 LEU CD2  C  25.640 0.300 2 
       815  82  82 LEU N    N 115.692 0.300 1 
       816  83  83 THR H    H   7.708 0.030 1 
       817  83  83 THR HA   H   4.370 0.030 1 
       818  83  83 THR HB   H   4.480 0.030 1 
       819  83  83 THR HG2  H   1.354 0.030 1 
       820  83  83 THR C    C 174.699 0.300 1 
       821  83  83 THR CA   C  62.396 0.300 1 
       822  83  83 THR CB   C  70.086 0.300 1 
       823  83  83 THR CG2  C  21.301 0.300 1 
       824  83  83 THR N    N 107.840 0.300 1 
       825  84  84 ILE H    H   7.096 0.030 1 
       826  84  84 ILE HA   H   3.883 0.030 1 
       827  84  84 ILE HB   H   1.896 0.030 1 
       828  84  84 ILE HG12 H   1.046 0.030 2 
       829  84  84 ILE HG13 H   1.519 0.030 2 
       830  84  84 ILE HG2  H   0.978 0.030 1 
       831  84  84 ILE HD1  H   0.778 0.030 1 
       832  84  84 ILE C    C 174.816 0.300 1 
       833  84  84 ILE CA   C  62.396 0.300 1 
       834  84  84 ILE CB   C  37.720 0.300 1 
       835  84  84 ILE CG1  C  28.294 0.300 1 
       836  84  84 ILE CG2  C  17.168 0.300 1 
       837  84  84 ILE CD1  C  14.325 0.300 1 
       838  84  84 ILE N    N 123.003 0.300 1 
       839  85  85 LYS H    H   8.513 0.030 1 
       840  85  85 LYS HA   H   4.832 0.030 1 
       841  85  85 LYS HB2  H   1.940 0.030 2 
       842  85  85 LYS HB3  H   1.795 0.030 2 
       843  85  85 LYS HG2  H   1.625 0.030 2 
       844  85  85 LYS HG3  H   1.558 0.030 2 
       845  85  85 LYS HD2  H   1.752 0.030 2 
       846  85  85 LYS HD3  H   1.694 0.030 2 
       847  85  85 LYS HE2  H   3.079 0.030 1 
       848  85  85 LYS HE3  H   3.079 0.030 1 
       849  85  85 LYS CA   C  53.882 0.300 1 
       850  85  85 LYS CB   C  35.697 0.300 1 
       851  85  85 LYS CG   C  24.147 0.300 1 
       852  85  85 LYS CD   C  28.549 0.300 1 
       853  85  85 LYS CE   C  41.815 0.300 1 
       854  85  85 LYS N    N 125.323 0.300 1 
       855  86  86 ASN H    H   9.935 0.030 1 
       856  86  86 ASN HA   H   4.105 0.030 1 
       857  86  86 ASN HB2  H   2.545 0.030 2 
       858  86  86 ASN HB3  H   3.090 0.030 2 
       859  86  86 ASN HD21 H   7.104 0.030 2 
       860  86  86 ASN HD22 H   8.098 0.030 2 
       861  86  86 ASN CA   C  57.027 0.300 1 
       862  86  86 ASN CB   C  38.516 0.300 1 
       863  86  86 ASN N    N 121.825 0.300 1 
       864  86  86 ASN ND2  N 115.978 0.300 1 
       865  87  87 THR H    H   7.442 0.030 1 
       866  87  87 THR HA   H   3.981 0.030 1 
       867  87  87 THR HB   H   4.209 0.030 1 
       868  87  87 THR HG2  H   1.279 0.030 1 
       869  87  87 THR CA   C  64.474 0.300 1 
       870  87  87 THR CB   C  68.009 0.300 1 
       871  87  87 THR CG2  C  22.731 0.300 1 
       872  87  87 THR N    N 109.854 0.300 1 
       873  88  88 ASP H    H   7.352 0.030 1 
       874  88  88 ASP HA   H   4.641 0.030 1 
       875  88  88 ASP HB2  H   2.916 0.030 2 
       876  88  88 ASP HB3  H   3.085 0.030 2 
       877  88  88 ASP CA   C  57.490 0.300 1 
       878  88  88 ASP CB   C  41.063 0.300 1 
       879  88  88 ASP N    N 122.265 0.300 1 
       880  89  89 ILE H    H   7.335 0.030 1 
       881  89  89 ILE HA   H   3.508 0.030 1 
       882  89  89 ILE HB   H   1.871 0.030 1 
       883  89  89 ILE HG12 H   1.656 0.030 2 
       884  89  89 ILE HG13 H   0.776 0.030 2 
       885  89  89 ILE HG2  H   0.676 0.030 1 
       886  89  89 ILE HD1  H   0.638 0.030 1 
       887  89  89 ILE CA   C  64.499 0.300 1 
       888  89  89 ILE CB   C  38.462 0.300 1 
       889  89  89 ILE CG1  C  28.380 0.300 1 
       890  89  89 ILE CG2  C  16.765 0.300 1 
       891  89  89 ILE CD1  C  12.925 0.300 1 
       892  89  89 ILE N    N 121.339 0.300 1 
       893  90  90 ALA H    H   8.283 0.030 1 
       894  90  90 ALA HA   H   3.763 0.030 1 
       895  90  90 ALA HB   H   1.473 0.030 1 
       896  90  90 ALA C    C 179.813 0.300 1 
       897  90  90 ALA CA   C  55.396 0.300 1 
       898  90  90 ALA CB   C  18.635 0.300 1 
       899  90  90 ALA N    N 119.339 0.300 1 
       900  91  91 LYS H    H   7.773 0.030 1 
       901  91  91 LYS HA   H   4.144 0.030 1 
       902  91  91 LYS HB2  H   2.012 0.030 2 
       903  91  91 LYS HB3  H   2.046 0.030 2 
       904  91  91 LYS HG2  H   1.605 0.030 2 
       905  91  91 LYS HG3  H   1.494 0.030 2 
       906  91  91 LYS HD2  H   1.770 0.030 1 
       907  91  91 LYS HD3  H   1.770 0.030 1 
       908  91  91 LYS HE2  H   3.042 0.030 1 
       909  91  91 LYS HE3  H   3.042 0.030 1 
       910  91  91 LYS C    C 179.677 0.300 1 
       911  91  91 LYS CA   C  59.048 0.300 1 
       912  91  91 LYS CB   C  32.582 0.300 1 
       913  91  91 LYS CG   C  24.909 0.300 1 
       914  91  91 LYS CD   C  29.428 0.300 1 
       915  91  91 LYS CE   C  42.208 0.300 1 
       916  91  91 LYS N    N 116.627 0.300 1 
       917  92  92 GLU H    H   7.697 0.030 1 
       918  92  92 GLU HA   H   4.181 0.030 1 
       919  92  92 GLU HB2  H   1.909 0.030 2 
       920  92  92 GLU HB3  H   2.347 0.030 2 
       921  92  92 GLU HG2  H   2.459 0.030 2 
       922  92  92 GLU HG3  H   2.215 0.030 2 
       923  92  92 GLU C    C 177.988 0.300 1 
       924  92  92 GLU CA   C  58.852 0.300 1 
       925  92  92 GLU CB   C  29.398 0.300 1 
       926  92  92 GLU CG   C  35.173 0.300 1 
       927  92  92 GLU N    N 120.403 0.300 1 
       928  93  93 LEU H    H   7.429 0.030 1 
       929  93  93 LEU HA   H   4.298 0.030 1 
       930  93  93 LEU HB2  H   1.535 0.030 2 
       931  93  93 LEU HB3  H   1.491 0.030 2 
       932  93  93 LEU HG   H   1.557 0.030 1 
       933  93  93 LEU HD1  H   0.741 0.030 1 
       934  93  93 LEU HD2  H   0.606 0.030 1 
       935  93  93 LEU C    C 175.414 0.300 1 
       936  93  93 LEU CA   C  54.110 0.300 1 
       937  93  93 LEU CB   C  41.999 0.300 1 
       938  93  93 LEU CG   C  26.449 0.300 1 
       939  93  93 LEU CD1  C  22.179 0.300 2 
       940  93  93 LEU CD2  C  26.493 0.300 2 
       941  93  93 LEU N    N 113.680 0.300 1 
       942  94  94 CYS H    H   7.866 0.030 1 
       943  94  94 CYS HA   H   3.989 0.030 1 
       944  94  94 CYS HB2  H   3.085 0.030 2 
       945  94  94 CYS HB3  H   3.003 0.030 2 
       946  94  94 CYS C    C 175.398 0.300 1 
       947  94  94 CYS CA   C  59.388 0.300 1 
       948  94  94 CYS CB   C  25.201 0.300 1 
       949  94  94 CYS N    N 117.724 0.300 1 
       950  95  95 LEU H    H   7.969 0.030 1 
       951  95  95 LEU HA   H   4.385 0.030 1 
       952  95  95 LEU HB2  H   1.126 0.030 2 
       953  95  95 LEU HB3  H   1.565 0.030 2 
       954  95  95 LEU HG   H   1.638 0.030 1 
       955  95  95 LEU HD1  H   0.760 0.030 1 
       956  95  95 LEU HD2  H   0.757 0.030 1 
       957  95  95 LEU C    C 175.004 0.300 1 
       958  95  95 LEU CA   C  53.024 0.300 1 
       959  95  95 LEU CB   C  41.552 0.300 1 
       960  95  95 LEU CG   C  26.641 0.300 1 
       961  95  95 LEU CD1  C  22.666 0.300 2 
       962  95  95 LEU CD2  C  25.591 0.300 2 
       963  95  95 LEU N    N 117.924 0.300 1 
       964  96  96 PRO HA   H   4.913 0.030 1 
       965  96  96 PRO HB2  H   2.406 0.030 2 
       966  96  96 PRO HB3  H   2.230 0.030 2 
       967  96  96 PRO HG2  H   2.225 0.030 2 
       968  96  96 PRO HG3  H   1.799 0.030 2 
       969  96  96 PRO HD2  H   4.017 0.030 2 
       970  96  96 PRO HD3  H   3.502 0.030 2 
       971  96  96 PRO CA   C  61.356 0.300 1 
       972  96  96 PRO CB   C  30.710 0.300 1 
       973  96  96 PRO CG   C  27.048 0.300 1 
       974  96  96 PRO CD   C  50.680 0.300 1 
       975  97  97 PRO HA   H   4.207 0.030 1 
       976  97  97 PRO HB2  H   2.431 0.030 2 
       977  97  97 PRO HB3  H   2.023 0.030 2 
       978  97  97 PRO HG2  H   2.228 0.030 2 
       979  97  97 PRO HG3  H   2.086 0.030 2 
       980  97  97 PRO HD2  H   3.880 0.030 1 
       981  97  97 PRO HD3  H   3.880 0.030 1 
       982  97  97 PRO CA   C  66.219 0.300 1 
       983  97  97 PRO CB   C  32.023 0.300 1 
       984  97  97 PRO CG   C  27.691 0.300 1 
       985  97  97 PRO CD   C  50.232 0.300 1 
       986  98  98 VAL H    H   8.035 0.030 1 
       987  98  98 VAL HA   H   4.350 0.030 1 
       988  98  98 VAL HB   H   2.435 0.030 1 
       989  98  98 VAL HG1  H   1.074 0.030 1 
       990  98  98 VAL HG2  H   1.115 0.030 1 
       991  98  98 VAL CA   C  63.922 0.300 1 
       992  98  98 VAL CB   C  31.616 0.300 1 
       993  98  98 VAL CG1  C  20.866 0.300 2 
       994  98  98 VAL CG2  C  20.603 0.300 2 
       995  98  98 VAL N    N 112.774 0.300 1 
       996  99  99 LYS H    H   8.235 0.030 1 
       997  99  99 LYS HA   H   4.546 0.030 1 
       998  99  99 LYS HB2  H   2.184 0.030 2 
       999  99  99 LYS HB3  H   1.675 0.030 2 
      1000  99  99 LYS HG2  H   1.624 0.030 2 
      1001  99  99 LYS HG3  H   1.405 0.030 2 
      1002  99  99 LYS HD2  H   1.863 0.030 2 
      1003  99  99 LYS HD3  H   1.594 0.030 2 
      1004  99  99 LYS HE2  H   3.070 0.030 2 
      1005  99  99 LYS HE3  H   3.141 0.030 2 
      1006  99  99 LYS CA   C  54.130 0.300 1 
      1007  99  99 LYS CB   C  33.598 0.300 1 
      1008  99  99 LYS CG   C  24.673 0.300 1 
      1009  99  99 LYS CD   C  29.170 0.300 1 
      1010  99  99 LYS CE   C  42.452 0.300 1 
      1011  99  99 LYS N    N 117.431 0.300 1 
      1012 100 100 LEU H    H   7.751 0.030 1 
      1013 100 100 LEU HA   H   4.094 0.030 1 
      1014 100 100 LEU HB2  H   1.886 0.030 2 
      1015 100 100 LEU HB3  H   1.627 0.030 2 
      1016 100 100 LEU HG   H   1.799 0.030 1 
      1017 100 100 LEU HD1  H   0.940 0.030 1 
      1018 100 100 LEU HD2  H   0.790 0.030 1 
      1019 100 100 LEU CA   C  58.169 0.300 1 
      1020 100 100 LEU CB   C  40.816 0.300 1 
      1021 100 100 LEU CG   C  26.782 0.300 1 
      1022 100 100 LEU CD1  C  24.474 0.300 2 
      1023 100 100 LEU CD2  C  23.377 0.300 2 
      1024 100 100 LEU N    N 123.983 0.300 1 
      1025 101 101 HIS HA   H   4.424 0.030 1 
      1026 101 101 HIS HB2  H   3.269 0.030 1 
      1027 101 101 HIS HB3  H   3.269 0.030 1 
      1028 101 101 HIS HD2  H   6.968 0.030 1 
      1029 101 101 HIS HE1  H   8.192 0.030 1 
      1030 101 101 HIS C    C 176.749 0.300 1 
      1031 101 101 HIS CA   C  59.045 0.300 1 
      1032 101 101 HIS CB   C  27.017 0.300 1 
      1033 101 101 HIS CD2  C 129.537 0.300 1 
      1034 101 101 HIS CE1  C 139.798 0.300 1 
      1035 102 102 CYS H    H   7.573 0.030 1 
      1036 102 102 CYS HA   H   3.686 0.030 1 
      1037 102 102 CYS HB2  H   2.630 0.030 2 
      1038 102 102 CYS HB3  H   2.516 0.030 2 
      1039 102 102 CYS C    C 175.563 0.300 1 
      1040 102 102 CYS CA   C  62.523 0.300 1 
      1041 102 102 CYS CB   C  28.022 0.300 1 
      1042 102 102 CYS N    N 120.699 0.300 1 
      1043 103 103 SER H    H   7.289 0.030 1 
      1044 103 103 SER HA   H   3.919 0.030 1 
      1045 103 103 SER HB2  H   3.475 0.030 1 
      1046 103 103 SER HB3  H   3.475 0.030 1 
      1047 103 103 SER C    C 176.701 0.300 1 
      1048 103 103 SER CA   C  60.769 0.300 1 
      1049 103 103 SER CB   C  61.813 0.300 1 
      1050 103 103 SER N    N 113.720 0.300 1 
      1051 104 104 MET H    H   7.476 0.030 1 
      1052 104 104 MET HA   H   4.208 0.030 1 
      1053 104 104 MET HB2  H   2.592 0.030 1 
      1054 104 104 MET HB3  H   2.592 0.030 1 
      1055 104 104 MET HG2  H   2.278 0.030 2 
      1056 104 104 MET HG3  H   1.999 0.030 2 
      1057 104 104 MET HE   H   2.116 0.030 1 
      1058 104 104 MET C    C 176.854 0.300 1 
      1059 104 104 MET CA   C  58.530 0.300 1 
      1060 104 104 MET CB   C  32.227 0.300 1 
      1061 104 104 MET CG   C  32.448 0.300 1 
      1062 104 104 MET CE   C  17.201 0.300 1 
      1063 104 104 MET N    N 123.226 0.300 1 
      1064 105 105 LEU H    H   7.704 0.030 1 
      1065 105 105 LEU HA   H   4.219 0.030 1 
      1066 105 105 LEU HB2  H   1.956 0.030 2 
      1067 105 105 LEU HB3  H   1.728 0.030 2 
      1068 105 105 LEU HG   H   1.729 0.030 1 
      1069 105 105 LEU HD1  H   0.841 0.030 1 
      1070 105 105 LEU HD2  H   0.828 0.030 1 
      1071 105 105 LEU C    C 177.240 0.300 1 
      1072 105 105 LEU CA   C  57.525 0.300 1 
      1073 105 105 LEU CB   C  42.524 0.300 1 
      1074 105 105 LEU CG   C  25.930 0.300 1 
      1075 105 105 LEU CD1  C  25.124 0.300 2 
      1076 105 105 LEU CD2  C  26.775 0.300 2 
      1077 105 105 LEU N    N 119.390 0.300 1 
      1078 106 106 ALA H    H   6.926 0.030 1 
      1079 106 106 ALA HA   H   3.986 0.030 1 
      1080 106 106 ALA HB   H   1.136 0.030 1 
      1081 106 106 ALA C    C 178.458 0.300 1 
      1082 106 106 ALA CA   C  54.981 0.300 1 
      1083 106 106 ALA CB   C  18.394 0.300 1 
      1084 106 106 ALA N    N 116.824 0.300 1 
      1085 107 107 GLU H    H   7.491 0.030 1 
      1086 107 107 GLU HA   H   3.770 0.030 1 
      1087 107 107 GLU HB2  H   2.257 0.030 2 
      1088 107 107 GLU HB3  H   1.816 0.030 2 
      1089 107 107 GLU HG2  H   2.564 0.030 2 
      1090 107 107 GLU HG3  H   2.313 0.030 2 
      1091 107 107 GLU C    C 177.915 0.300 1 
      1092 107 107 GLU CA   C  60.224 0.300 1 
      1093 107 107 GLU CB   C  29.529 0.300 1 
      1094 107 107 GLU CG   C  36.486 0.300 1 
      1095 107 107 GLU N    N 117.145 0.300 1 
      1096 108 108 ASP H    H   8.776 0.030 1 
      1097 108 108 ASP HA   H   4.407 0.030 1 
      1098 108 108 ASP HB2  H   3.012 0.030 2 
      1099 108 108 ASP HB3  H   2.567 0.030 2 
      1100 108 108 ASP C    C 179.668 0.300 1 
      1101 108 108 ASP CA   C  57.435 0.300 1 
      1102 108 108 ASP CB   C  39.549 0.300 1 
      1103 108 108 ASP N    N 119.098 0.300 1 
      1104 109 109 ALA H    H   8.817 0.030 1 
      1105 109 109 ALA HA   H   3.843 0.030 1 
      1106 109 109 ALA HB   H   1.514 0.030 1 
      1107 109 109 ALA C    C 179.146 0.300 1 
      1108 109 109 ALA CA   C  55.939 0.300 1 
      1109 109 109 ALA CB   C  18.901 0.300 1 
      1110 109 109 ALA N    N 124.596 0.300 1 
      1111 110 110 ILE H    H   7.893 0.030 1 
      1112 110 110 ILE HA   H   3.423 0.030 1 
      1113 110 110 ILE HB   H   2.130 0.030 1 
      1114 110 110 ILE HG12 H   0.703 0.030 2 
      1115 110 110 ILE HG13 H   1.943 0.030 2 
      1116 110 110 ILE HG2  H   0.839 0.030 1 
      1117 110 110 ILE HD1  H   0.831 0.030 1 
      1118 110 110 ILE C    C 178.028 0.300 1 
      1119 110 110 ILE CA   C  66.150 0.300 1 
      1120 110 110 ILE CB   C  38.208 0.300 1 
      1121 110 110 ILE CG1  C  28.873 0.300 1 
      1122 110 110 ILE CG2  C  17.931 0.300 1 
      1123 110 110 ILE CD1  C  13.749 0.300 1 
      1124 110 110 ILE N    N 118.929 0.300 1 
      1125 111 111 LYS H    H   8.252 0.030 1 
      1126 111 111 LYS HA   H   3.862 0.030 1 
      1127 111 111 LYS HB2  H   1.982 0.030 2 
      1128 111 111 LYS HB3  H   1.868 0.030 2 
      1129 111 111 LYS HG2  H   1.875 0.030 2 
      1130 111 111 LYS HG3  H   1.479 0.030 2 
      1131 111 111 LYS HD2  H   1.810 0.030 2 
      1132 111 111 LYS HD3  H   1.851 0.030 2 
      1133 111 111 LYS HE2  H   3.129 0.030 2 
      1134 111 111 LYS HE3  H   3.087 0.030 2 
      1135 111 111 LYS C    C 179.809 0.300 1 
      1136 111 111 LYS CA   C  60.833 0.300 1 
      1137 111 111 LYS CB   C  32.325 0.300 1 
      1138 111 111 LYS CG   C  27.429 0.300 1 
      1139 111 111 LYS CD   C  29.266 0.300 1 
      1140 111 111 LYS CE   C  42.914 0.300 1 
      1141 111 111 LYS N    N 117.352 0.300 1 
      1142 112 112 ALA H    H   8.598 0.030 1 
      1143 112 112 ALA HA   H   4.315 0.030 1 
      1144 112 112 ALA HB   H   1.558 0.030 1 
      1145 112 112 ALA C    C 180.400 0.300 1 
      1146 112 112 ALA CA   C  54.964 0.300 1 
      1147 112 112 ALA CB   C  18.427 0.300 1 
      1148 112 112 ALA N    N 121.953 0.300 1 
      1149 113 113 ALA H    H   8.631 0.030 1 
      1150 113 113 ALA HA   H   3.920 0.030 1 
      1151 113 113 ALA HB   H   1.412 0.030 1 
      1152 113 113 ALA C    C 180.039 0.300 1 
      1153 113 113 ALA CA   C  55.346 0.300 1 
      1154 113 113 ALA CB   C  18.221 0.300 1 
      1155 113 113 ALA N    N 124.113 0.300 1 
      1156 114 114 LEU H    H   8.368 0.030 1 
      1157 114 114 LEU HA   H   4.170 0.030 1 
      1158 114 114 LEU HB2  H   2.024 0.030 2 
      1159 114 114 LEU HB3  H   1.471 0.030 2 
      1160 114 114 LEU HG   H   1.962 0.030 1 
      1161 114 114 LEU HD1  H   0.838 0.030 1 
      1162 114 114 LEU HD2  H   0.910 0.030 1 
      1163 114 114 LEU C    C 179.326 0.300 1 
      1164 114 114 LEU CA   C  57.715 0.300 1 
      1165 114 114 LEU CB   C  41.337 0.300 1 
      1166 114 114 LEU CG   C  26.904 0.300 1 
      1167 114 114 LEU CD1  C  23.229 0.300 2 
      1168 114 114 LEU CD2  C  26.894 0.300 2 
      1169 114 114 LEU N    N 117.315 0.300 1 
      1170 115 115 ALA H    H   8.330 0.030 1 
      1171 115 115 ALA HA   H   4.199 0.030 1 
      1172 115 115 ALA HB   H   1.616 0.030 1 
      1173 115 115 ALA C    C 180.255 0.300 1 
      1174 115 115 ALA CA   C  55.295 0.300 1 
      1175 115 115 ALA CB   C  18.036 0.300 1 
      1176 115 115 ALA N    N 122.955 0.300 1 
      1177 116 116 ASP H    H   7.885 0.030 1 
      1178 116 116 ASP HA   H   4.508 0.030 1 
      1179 116 116 ASP HB2  H   2.992 0.030 1 
      1180 116 116 ASP HB3  H   2.992 0.030 1 
      1181 116 116 ASP C    C 177.541 0.300 1 
      1182 116 116 ASP CA   C  57.908 0.300 1 
      1183 116 116 ASP CB   C  43.624 0.300 1 
      1184 116 116 ASP N    N 119.660 0.300 1 
      1185 117 117 TYR H    H   8.044 0.030 1 
      1186 117 117 TYR HA   H   4.076 0.030 1 
      1187 117 117 TYR HB2  H   3.189 0.030 2 
      1188 117 117 TYR HB3  H   2.954 0.030 2 
      1189 117 117 TYR HD1  H   6.860 0.030 1 
      1190 117 117 TYR HD2  H   6.860 0.030 1 
      1191 117 117 TYR HE1  H   6.807 0.030 1 
      1192 117 117 TYR HE2  H   6.807 0.030 1 
      1193 117 117 TYR C    C 177.300 0.300 1 
      1194 117 117 TYR CA   C  61.670 0.300 1 
      1195 117 117 TYR CB   C  38.296 0.300 1 
      1196 117 117 TYR CD1  C 132.545 0.300 1 
      1197 117 117 TYR CD2  C 132.545 0.300 1 
      1198 117 117 TYR CE1  C 118.480 0.300 1 
      1199 117 117 TYR CE2  C 118.480 0.300 1 
      1200 117 117 TYR N    N 117.912 0.300 1 
      1201 118 118 LYS H    H   8.495 0.030 1 
      1202 118 118 LYS HA   H   3.588 0.030 1 
      1203 118 118 LYS HB2  H   1.913 0.030 2 
      1204 118 118 LYS HB3  H   2.016 0.030 2 
      1205 118 118 LYS HG2  H   1.769 0.030 2 
      1206 118 118 LYS HG3  H   1.517 0.030 2 
      1207 118 118 LYS HD2  H   1.737 0.030 1 
      1208 118 118 LYS HD3  H   1.737 0.030 1 
      1209 118 118 LYS HE2  H   2.989 0.030 1 
      1210 118 118 LYS HE3  H   2.989 0.030 1 
      1211 118 118 LYS C    C 179.761 0.300 1 
      1212 118 118 LYS CA   C  60.119 0.300 1 
      1213 118 118 LYS CB   C  32.417 0.300 1 
      1214 118 118 LYS CG   C  25.722 0.300 1 
      1215 118 118 LYS CD   C  29.398 0.300 1 
      1216 118 118 LYS CE   C  42.044 0.300 1 
      1217 118 118 LYS N    N 119.680 0.300 1 
      1218 119 119 LEU H    H   8.046 0.030 1 
      1219 119 119 LEU HA   H   4.138 0.030 1 
      1220 119 119 LEU HB2  H   1.922 0.030 2 
      1221 119 119 LEU HB3  H   1.833 0.030 2 
      1222 119 119 LEU HG   H   1.793 0.030 1 
      1223 119 119 LEU HD1  H   0.997 0.030 1 
      1224 119 119 LEU HD2  H   0.969 0.030 1 
      1225 119 119 LEU C    C 180.063 0.300 1 
      1226 119 119 LEU CA   C  57.882 0.300 1 
      1227 119 119 LEU CB   C  42.002 0.300 1 
      1228 119 119 LEU CG   C  27.050 0.300 1 
      1229 119 119 LEU CD1  C  24.671 0.300 2 
      1230 119 119 LEU CD2  C  24.358 0.300 2 
      1231 119 119 LEU N    N 120.330 0.300 1 
      1232 120 120 LYS H    H   7.692 0.030 1 
      1233 120 120 LYS HA   H   4.097 0.030 1 
      1234 120 120 LYS HB2  H   2.026 0.030 2 
      1235 120 120 LYS HB3  H   1.864 0.030 2 
      1236 120 120 LYS HG2  H   1.866 0.030 2 
      1237 120 120 LYS HG3  H   1.445 0.030 2 
      1238 120 120 LYS HD2  H   1.835 0.030 1 
      1239 120 120 LYS HD3  H   1.835 0.030 1 
      1240 120 120 LYS HE2  H   3.226 0.030 2 
      1241 120 120 LYS HE3  H   3.056 0.030 2 
      1242 120 120 LYS C    C 178.554 0.300 1 
      1243 120 120 LYS CA   C  58.830 0.300 1 
      1244 120 120 LYS CB   C  33.107 0.300 1 
      1245 120 120 LYS CG   C  26.047 0.300 1 
      1246 120 120 LYS CD   C  30.315 0.300 1 
      1247 120 120 LYS CE   C  42.860 0.300 1 
      1248 120 120 LYS N    N 118.103 0.300 1 
      1249 121 121 GLN H    H   7.594 0.030 1 
      1250 121 121 GLN HA   H   4.017 0.030 1 
      1251 121 121 GLN HB2  H   2.194 0.030 2 
      1252 121 121 GLN HB3  H   1.922 0.030 2 
      1253 121 121 GLN HG2  H   2.084 0.030 2 
      1254 121 121 GLN HG3  H   1.965 0.030 2 
      1255 121 121 GLN HE21 H   6.998 0.030 2 
      1256 121 121 GLN HE22 H   6.759 0.030 2 
      1257 121 121 GLN C    C 177.300 0.300 1 
      1258 121 121 GLN CA   C  55.712 0.300 1 
      1259 121 121 GLN CB   C  28.124 0.300 1 
      1260 121 121 GLN CG   C  32.810 0.300 1 
      1261 121 121 GLN N    N 115.683 0.300 1 
      1262 121 121 GLN NE2  N 117.959 0.300 1 
      1263 122 122 GLU H    H   7.768 0.030 1 
      1264 122 122 GLU HA   H   4.258 0.030 1 
      1265 122 122 GLU HB2  H   2.125 0.030 2 
      1266 122 122 GLU HB3  H   2.047 0.030 2 
      1267 122 122 GLU HG2  H   2.430 0.030 2 
      1268 122 122 GLU HG3  H   2.283 0.030 2 
      1269 122 122 GLU C    C 176.854 0.300 1 
      1270 122 122 GLU CA   C  56.962 0.300 1 
      1271 122 122 GLU CB   C  30.276 0.300 1 
      1272 122 122 GLU CG   C  36.364 0.300 1 
      1273 122 122 GLU N    N 118.874 0.300 1 
      1274 123 123 SER H    H   8.043 0.030 1 
      1275 123 123 SER HA   H   4.466 0.030 1 
      1276 123 123 SER HB2  H   3.937 0.030 1 
      1277 123 123 SER HB3  H   3.937 0.030 1 
      1278 123 123 SER C    C 174.767 0.300 1 
      1279 123 123 SER CA   C  58.581 0.300 1 
      1280 123 123 SER CB   C  63.748 0.300 1 
      1281 123 123 SER N    N 115.935 0.300 1 
      1282 124 124 LYS H    H   8.347 0.030 1 
      1283 124 124 LYS HA   H   4.444 0.030 1 
      1284 124 124 LYS HB2  H   1.941 0.030 2 
      1285 124 124 LYS HB3  H   1.812 0.030 2 
      1286 124 124 LYS HG2  H   1.495 0.030 1 
      1287 124 124 LYS HG3  H   1.495 0.030 1 
      1288 124 124 LYS HD2  H   1.711 0.030 1 
      1289 124 124 LYS HD3  H   1.711 0.030 1 
      1290 124 124 LYS HE2  H   3.035 0.030 1 
      1291 124 124 LYS HE3  H   3.035 0.030 1 
      1292 124 124 LYS C    C 176.649 0.300 1 
      1293 124 124 LYS CA   C  56.357 0.300 1 
      1294 124 124 LYS CB   C  32.983 0.300 1 
      1295 124 124 LYS CG   C  24.677 0.300 1 
      1296 124 124 LYS CD   C  29.038 0.300 1 
      1297 124 124 LYS CE   C  42.208 0.300 1 
      1298 124 124 LYS N    N 123.512 0.300 1 
      1299 125 125 SER H    H   8.315 0.030 1 
      1300 125 125 SER HA   H   4.527 0.030 1 
      1301 125 125 SER HB2  H   3.899 0.030 1 
      1302 125 125 SER HB3  H   3.899 0.030 1 
      1303 125 125 SER C    C 174.525 0.300 1 
      1304 125 125 SER CA   C  58.325 0.300 1 
      1305 125 125 SER CB   C  64.197 0.300 1 
      1306 125 125 SER N    N 116.612 0.300 1 
      1307 126 126 GLY H    H   8.262 0.030 1 
      1308 126 126 GLY HA2  H   4.200 0.030 2 
      1309 126 126 GLY HA3  H   4.141 0.030 2 
      1310 126 126 GLY C    C 171.843 0.300 1 
      1311 126 126 GLY CA   C  44.730 0.300 1 
      1312 126 126 GLY N    N 110.748 0.300 1 
      1313 127 127 PRO HA   H   4.515 0.030 1 
      1314 127 127 PRO HB2  H   2.334 0.030 2 
      1315 127 127 PRO HB3  H   1.987 0.030 2 
      1316 127 127 PRO HG2  H   2.049 0.030 1 
      1317 127 127 PRO HG3  H   2.049 0.030 1 
      1318 127 127 PRO HD2  H   3.670 0.030 1 
      1319 127 127 PRO HD3  H   3.670 0.030 1 
      1320 127 127 PRO C    C 177.473 0.300 1 
      1321 127 127 PRO CA   C  63.322 0.300 1 
      1322 127 127 PRO CB   C  32.347 0.300 1 
      1323 127 127 PRO CG   C  27.227 0.300 1 
      1324 127 127 PRO CD   C  49.863 0.300 1 
      1325 128 128 SER H    H   8.551 0.030 1 
      1326 128 128 SER HA   H   4.539 0.030 1 
      1327 128 128 SER HB2  H   3.934 0.030 1 
      1328 128 128 SER HB3  H   3.934 0.030 1 
      1329 128 128 SER C    C 174.675 0.300 1 
      1330 128 128 SER CA   C  58.394 0.300 1 
      1331 128 128 SER CB   C  63.855 0.300 1 
      1332 128 128 SER N    N 116.407 0.300 1 
      1333 129 129 SER H    H   8.344 0.030 1 
      1334 129 129 SER CA   C  58.356 0.300 1 
      1335 129 129 SER CB   C  64.100 0.300 1 
      1336 129 129 SER N    N 117.817 0.300 1 

   stop_

save_