data_19926

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

save_entry_information
   _Saveframe_category      entry_information

   _Entry_title
;
Backbone resonance assignments of the R42W mutant of pyrin domain of human Pyrin
;
   _BMRB_accession_number   19926
   _BMRB_flat_file_name     bmr19926.str
   _Entry_type              original
   _Submission_date         2014-04-19
   _Accession_date          2014-04-19
   _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 Smith Sarah   J. .
      2 Hill  Justine M. .

   stop_

   loop_
      _Saveframe_category_type
      _Saveframe_category_type_count

      assigned_chemical_shifts 1

   stop_

   loop_
      _Data_type
      _Data_type_count

      "1H chemical shifts"  174
      "13C chemical shifts" 185
      "15N chemical shifts"  88

   stop_

   loop_
      _Revision_date
      _Revision_keyword
      _Revision_author
      _Revision_detail

      2019-07-12 original BMRB .

   stop_

   _Original_release_date   2014-04-22

save_


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

save_entry_citation
   _Saveframe_category           entry_citation

   _Citation_full                .
   _Citation_title
;
Identification of multifaceted binding modes for pyrin and ASC pyrin domains gives insights into pyrin inflammasome assembly
;
   _Citation_status              published
   _Citation_type                journal
   _CAS_abstract_code            .
   _MEDLINE_UI_code              .
   _PubMed_ID                    25006247

   loop_
      _Author_ordinal
      _Author_family_name
      _Author_given_name
      _Author_middle_initials
      _Author_family_title

      1 Vajjhala Parimala  R. .
      2 Kaiser   Sebastian .  .
      3 Smith    Sarah     J. .
      4 Ong      Qi-Rui    .  .
      5 Soh      Stephanie L. .
      6 Stacey   Katryn    J. .
      7 Hill     Justine   M. .

   stop_

   _Journal_abbreviation        'J. Biol. Chem.'
   _Journal_name_full           'The Journal of biological chemistry'
   _Journal_volume               289
   _Journal_issue                34
   _Journal_ISSN                 1083-351X
   _Journal_CSD                  .
   _Book_chapter_title           .
   _Book_volume                  .
   _Book_series                  .
   _Book_ISBN                    .
   _Conference_state_province    .
   _Conference_abstract_number   .
   _Page_first                   23504
   _Page_last                    23519
   _Year                         2014
   _Details                      .

   loop_
      _Keyword

      'death domain'
      'familial Mediterranean fever'
       inflammation
      'innate immunity'
      'protein-protein interactions'

   stop_

save_


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

save_assembly
   _Saveframe_category         molecular_system

   _Mol_system_name            Pyrin
   _Enzyme_commission_number   .

   loop_
      _Mol_system_component_name
      _Mol_label

      Pyrin $Pyrin

   stop_

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

save_


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

save_Pyrin
   _Saveframe_category                          monomeric_polymer

   _Mol_type                                    polymer
   _Mol_polymer_class                           protein
   _Name_common                                 Pyrin
   _Molecular_mass                              .
   _Mol_thiol_state                            'not present'
   _Details                                     .

   	##############################
   	#  Polymer residue sequence  #
   	##############################

      _Residue_count                               100
   _Mol_residue_sequence
;
MAKTPSDHLLSTLEELVPYD
FEKFKFKLQNTSVQKEHSRI
PWSQIQRARPVKMATLLVTY
YGEEYAVQLTLQVLRAINQR
LLAEELHRAAIQLEHHHHHH
;

   loop_
      _Residue_seq_code
      _Residue_author_seq_code
      _Residue_label

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

   stop_

   _Sequence_homology_query_date                .
   _Sequence_homology_query_revised_last_date   .

   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

      NCBI AF018080 Pyrin . . . . .

   stop_

save_


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

save_natural_source
   _Saveframe_category   natural_source


   loop_
      _Mol_label
      _Organism_name_common
      _NCBI_taxonomy_ID
      _Superkingdom
      _Kingdom
      _Genus
      _Species

      $Pyrin Human 9606 Eukaryota Metazoa Homo sapiens

   stop_

save_


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

save_experimental_source
   _Saveframe_category   experimental_source


   loop_
      _Mol_label
      _Production_method
      _Host_organism_name_common
      _Genus
      _Species
      _Strain
      _Vector_name

      $Pyrin 'recombinant technology' . Escherichia coli BL21(DE3) pET-28b

   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

      $Pyrin  0.8 mM '[U-100% 13C; U-100% 15N]'
       H2O   90   %  'natural abundance'
       D2O   10   %  'natural abundance'

   stop_

save_


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

save_TOPSPIN
   _Saveframe_category   software

   _Name                 TOPSPIN
   _Version              .

   loop_
      _Vendor
      _Address
      _Electronic_address

      'Bruker Biospin'                                    . .
       CCPN                                               . .
      'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . .

   stop_

   loop_
      _Task

       collection
      'data analysis'
       processing

   stop_

   _Details              .

save_


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

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

save_spectrometer_1
   _Saveframe_category   NMR_spectrometer

   _Manufacturer         Bruker
   _Model                Avance
   _Field_strength       750
   _Details              .

save_


save_spectrometer_2
   _Saveframe_category   NMR_spectrometer

   _Manufacturer         Bruker
   _Model                Avance
   _Field_strength       900
   _Details             'Equipped with cryoprobe'

save_


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

save_2D_1H-15N_HSQC_1
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '2D 1H-15N HSQC'
   _Sample_label        $sample_1

save_


save_3D_HNCO_2
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D HNCO'
   _Sample_label        $sample_1

save_


save_3D_HN(CA)CO_3
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D HN(CA)CO'
   _Sample_label        $sample_1

save_


save_3D_CBCA(CO)NH_4
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D CBCA(CO)NH'
   _Sample_label        $sample_1

save_


save_3D_HNCACB_5
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D HNCACB'
   _Sample_label        $sample_1

save_


save_3D_C(CO)NH_6
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D C(CO)NH'
   _Sample_label        $sample_1

save_


save_3D_HBHA(CO)NH_7
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D HBHA(CO)NH'
   _Sample_label        $sample_1

save_


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

save_sample_conditions_1
   _Saveframe_category   sample_conditions

   _Details              .

   loop_
      _Variable_type
      _Variable_value
      _Variable_value_error
      _Variable_value_units

      'ionic strength' 150   . mM
       pH                4.0 . 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

      water C 13 protons ppm 4.773 na       indirect . . . 0.25144954
      water H  1 protons ppm 4.773 internal direct   . . . 1.0
      water N 15 protons ppm 4.773 na       indirect . . . 0.10132900

   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                          .

   loop_
      _Experiment_label

      '2D 1H-15N HSQC'
      '3D HNCO'
      '3D HN(CA)CO'
      '3D CBCA(CO)NH'
      '3D HNCACB'
      '3D C(CO)NH'
      '3D HBHA(CO)NH'

   stop_

   loop_
      _Sample_label

      $sample_1

   stop_

   _Sample_conditions_label         $sample_conditions_1
   _Chem_shift_reference_set_label  $chemical_shift_reference_1
   _Mol_system_component_name        Pyrin
   _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  2  2 ALA HA  H   4.125 . .
        2  2  2 ALA CA  C  51.799 . .
        3  2  2 ALA CB  C  19.337 . .
        4  3  3 LYS H   H   8.686 . .
        5  3  3 LYS HA  H   4.551 . .
        6  3  3 LYS CA  C  56.728 . .
        7  3  3 LYS CB  C  33.758 . .
        8  3  3 LYS N   N 120.455 . .
        9  4  4 THR H   H   8.804 . .
       10  4  4 THR CA  C  60.285 . .
       11  4  4 THR CB  C  69.776 . .
       12  4  4 THR N   N 115.395 . .
       13  5  5 PRO HA  H   4.261 . .
       14  5  5 PRO CA  C  65.636 . .
       15  5  5 PRO CB  C  32.017 . .
       16  6  6 SER H   H   8.268 . .
       17  6  6 SER HA  H   4.410 . .
       18  6  6 SER CA  C  61.988 . .
       19  6  6 SER CB  C  63.367 . .
       20  6  6 SER N   N 113.131 . .
       21  7  7 ASP H   H   7.947 . .
       22  7  7 ASP CB  C  41.027 . .
       23  7  7 ASP N   N 122.974 . .
       24  8  8 HIS HA  H   4.458 . .
       25  8  8 HIS CA  C  58.252 . .
       26  8  8 HIS CB  C  28.392 . .
       27  9  9 LEU H   H   8.571 . .
       28  9  9 LEU HA  H   3.969 . .
       29  9  9 LEU CA  C  59.574 . .
       30  9  9 LEU CB  C  42.579 . .
       31  9  9 LEU N   N 124.356 . .
       32 10 10 LEU H   H   7.942 . .
       33 10 10 LEU HA  H   3.811 . .
       34 10 10 LEU CA  C  59.240 . .
       35 10 10 LEU CB  C  41.031 . .
       36 10 10 LEU N   N 118.940 . .
       37 11 11 SER H   H   8.113 . .
       38 11 11 SER CA  C  62.555 . .
       39 11 11 SER N   N 112.635 . .
       40 12 12 THR H   H   7.844 . .
       41 12 12 THR HA  H   4.276 . .
       42 12 12 THR CA  C  67.658 . .
       43 12 12 THR CB  C  68.867 . .
       44 12 12 THR N   N 117.435 . .
       45 13 13 LEU H   H   7.829 . .
       46 13 13 LEU HA  H   3.837 . .
       47 13 13 LEU CA  C  58.120 . .
       48 13 13 LEU CB  C  41.564 . .
       49 13 13 LEU N   N 117.988 . .
       50 14 14 GLU H   H   8.105 . .
       51 14 14 GLU HA  H   3.861 . .
       52 14 14 GLU CA  C  58.044 . .
       53 14 14 GLU CB  C  28.936 . .
       54 14 14 GLU N   N 115.234 . .
       55 15 15 GLU H   H   7.497 . .
       56 15 15 GLU HA  H   4.128 . .
       57 15 15 GLU CA  C  57.412 . .
       58 15 15 GLU CB  C  29.661 . .
       59 15 15 GLU N   N 117.406 . .
       60 16 16 LEU H   H   6.763 . .
       61 16 16 LEU HA  H   4.565 . .
       62 16 16 LEU CA  C  54.511 . .
       63 16 16 LEU CB  C  42.422 . .
       64 16 16 LEU N   N 118.888 . .
       65 17 17 VAL H   H   9.356 . .
       66 17 17 VAL CA  C  61.280 . .
       67 17 17 VAL CB  C  29.715 . .
       68 17 17 VAL N   N 121.643 . .
       69 18 18 PRO HA  H   4.410 . .
       70 18 18 PRO CA  C  67.548 . .
       71 18 18 PRO CB  C  31.830 . .
       72 19 19 TYR H   H   8.680 . .
       73 19 19 TYR HA  H   4.436 . .
       74 19 19 TYR CA  C  61.187 . .
       75 19 19 TYR CB  C  38.728 . .
       76 19 19 TYR N   N 116.170 . .
       77 20 20 ASP H   H   7.382 . .
       78 20 20 ASP HA  H   4.765 . .
       79 20 20 ASP CA  C  56.962 . .
       80 20 20 ASP CB  C  41.099 . .
       81 20 20 ASP N   N 119.569 . .
       82 21 21 PHE H   H   8.796 . .
       83 21 21 PHE HA  H   4.478 . .
       84 21 21 PHE CA  C  60.969 . .
       85 21 21 PHE CB  C  38.521 . .
       86 21 21 PHE N   N 123.431 . .
       87 22 22 GLU H   H   8.189 . .
       88 22 22 GLU HA  H   3.869 . .
       89 22 22 GLU CA  C  60.021 . .
       90 22 22 GLU CB  C  28.689 . .
       91 22 22 GLU N   N 118.298 . .
       92 23 23 LYS H   H   7.679 . .
       93 23 23 LYS HA  H   4.085 . .
       94 23 23 LYS CA  C  60.170 . .
       95 23 23 LYS CB  C  32.429 . .
       96 23 23 LYS N   N 119.140 . .
       97 24 24 PHE H   H   8.690 . .
       98 24 24 PHE HA  H   3.748 . .
       99 24 24 PHE CA  C  61.834 . .
      100 24 24 PHE CB  C  38.927 . .
      101 24 24 PHE N   N 121.163 . .
      102 25 25 LYS H   H   7.824 . .
      103 25 25 LYS HA  H   3.527 . .
      104 25 25 LYS CA  C  61.723 . .
      105 25 25 LYS CB  C  32.372 . .
      106 25 25 LYS N   N 118.488 . .
      107 26 26 PHE H   H   8.049 . .
      108 26 26 PHE HA  H   4.140 . .
      109 26 26 PHE CA  C  61.604 . .
      110 26 26 PHE CB  C  39.248 . .
      111 26 26 PHE N   N 117.174 . .
      112 27 27 LYS H   H   8.355 . .
      113 27 27 LYS HA  H   4.061 . .
      114 27 27 LYS CA  C  57.118 . .
      115 27 27 LYS CB  C  30.216 . .
      116 27 27 LYS N   N 119.416 . .
      117 28 28 LEU H   H   8.567 . .
      118 28 28 LEU HA  H   3.699 . .
      119 28 28 LEU CA  C  58.359 . .
      120 28 28 LEU CB  C  41.556 . .
      121 28 28 LEU N   N 123.178 . .
      122 29 29 GLN H   H   7.731 . .
      123 29 29 GLN HA  H   3.979 . .
      124 29 29 GLN CA  C  58.129 . .
      125 29 29 GLN CB  C  28.046 . .
      126 29 29 GLN N   N 118.289 . .
      127 30 30 ASN H   H   7.072 . .
      128 30 30 ASN HA  H   4.721 . .
      129 30 30 ASN CA  C  53.269 . .
      130 30 30 ASN CB  C  40.096 . .
      131 30 30 ASN N   N 114.179 . .
      132 31 31 THR H   H   7.442 . .
      133 31 31 THR HA  H   4.253 . .
      134 31 31 THR CA  C  63.728 . .
      135 31 31 THR CB  C  70.018 . .
      136 31 31 THR N   N 117.585 . .
      137 32 32 SER H   H   8.584 . .
      138 32 32 SER HA  H   4.280 . .
      139 32 32 SER CA  C  59.444 . .
      140 32 32 SER CB  C  63.775 . .
      141 32 32 SER N   N 122.181 . .
      142 33 33 VAL H   H   8.001 . .
      143 33 33 VAL HA  H   4.099 . .
      144 33 33 VAL CA  C  61.161 . .
      145 33 33 VAL CB  C  34.010 . .
      146 33 33 VAL N   N 119.900 . .
      147 34 34 GLN H   H   7.948 . .
      148 34 34 GLN HA  H   4.169 . .
      149 34 34 GLN CA  C  56.991 . .
      150 34 34 GLN CB  C  29.661 . .
      151 34 34 GLN N   N 122.901 . .
      152 35 35 LYS H   H   8.183 . .
      153 35 35 LYS HA  H   4.186 . .
      154 35 35 LYS CA  C  57.933 . .
      155 35 35 LYS CB  C  32.550 . .
      156 35 35 LYS N   N 119.519 . .
      157 36 36 GLU H   H   8.453 . .
      158 36 36 GLU HA  H   4.121 . .
      159 36 36 GLU CA  C  57.765 . .
      160 36 36 GLU CB  C  28.666 . .
      161 36 36 GLU N   N 118.295 . .
      162 37 37 HIS H   H   8.260 . .
      163 37 37 HIS HA  H   4.891 . .
      164 37 37 HIS CA  C  55.171 . .
      165 37 37 HIS CB  C  30.384 . .
      166 37 37 HIS N   N 116.728 . .
      167 38 38 SER H   H   8.588 . .
      168 38 38 SER HA  H   4.646 . .
      169 38 38 SER CA  C  58.332 . .
      170 38 38 SER CB  C  64.317 . .
      171 38 38 SER N   N 117.006 . .
      172 39 39 ARG H   H   8.462 . .
      173 39 39 ARG HA  H   4.559 . .
      174 39 39 ARG CA  C  56.168 . .
      175 39 39 ARG CB  C  31.807 . .
      176 39 39 ARG N   N 121.989 . .
      177 40 40 ILE H   H   8.178 . .
      178 40 40 ILE CA  C  59.876 . .
      179 40 40 ILE CB  C  39.595 . .
      180 40 40 ILE N   N 124.737 . .
      181 41 41 PRO HA  H   4.459 . .
      182 41 41 PRO CA  C  63.268 . .
      183 41 41 PRO CB  C  32.555 . .
      184 42 42 TRP H   H   9.021 . .
      185 42 42 TRP HA  H   4.460 . .
      186 42 42 TRP CA  C  59.925 . .
      187 42 42 TRP CB  C  29.790 . .
      188 42 42 TRP N   N 127.460 . .
      189 43 43 SER H   H   8.728 . .
      190 43 43 SER CA  C  60.996 . .
      191 43 43 SER CB  C  62.188 . .
      192 43 43 SER N   N 111.464 . .
      193 44 44 GLN H   H   7.162 . .
      194 44 44 GLN HA  H   4.111 . .
      195 44 44 GLN CA  C  57.700 . .
      196 44 44 GLN CB  C  28.930 . .
      197 44 44 GLN N   N 117.915 . .
      198 45 45 ILE H   H   7.217 . .
      199 45 45 ILE HA  H   3.417 . .
      200 45 45 ILE CA  C  64.677 . .
      201 45 45 ILE CB  C  38.627 . .
      202 45 45 ILE N   N 118.203 . .
      203 46 46 GLN H   H   7.951 . .
      204 46 46 GLN HA  H   2.989 . .
      205 46 46 GLN CA  C  60.224 . .
      206 46 46 GLN CB  C  28.051 . .
      207 46 46 GLN N   N 117.416 . .
      208 47 47 ARG H   H   7.383 . .
      209 47 47 ARG HA  H   4.358 . .
      210 47 47 ARG CA  C  55.445 . .
      211 47 47 ARG CB  C  30.400 . .
      212 47 47 ARG N   N 114.003 . .
      213 48 48 ALA H   H   7.274 . .
      214 48 48 ALA HA  H   4.191 . .
      215 48 48 ALA CA  C  53.775 . .
      216 48 48 ALA CB  C  19.119 . .
      217 48 48 ALA N   N 122.830 . .
      218 49 49 ARG H   H   8.306 . .
      219 49 49 ARG CA  C  55.291 . .
      220 49 49 ARG CB  C  28.249 . .
      221 49 49 ARG N   N 123.589 . .
      222 50 50 PRO HA  H   3.777 . .
      223 50 50 PRO CA  C  68.544 . .
      224 50 50 PRO CB  C  31.715 . .
      225 51 51 VAL H   H   8.309 . .
      226 51 51 VAL HA  H   3.774 . .
      227 51 51 VAL CA  C  66.278 . .
      228 51 51 VAL CB  C  31.150 . .
      229 51 51 VAL N   N 114.648 . .
      230 52 52 LYS H   H   7.105 . .
      231 52 52 LYS HA  H   4.268 . .
      232 52 52 LYS CA  C  57.698 . .
      233 52 52 LYS CB  C  32.490 . .
      234 52 52 LYS N   N 122.152 . .
      235 53 53 MET H   H   8.879 . .
      236 53 53 MET HA  H   4.324 . .
      237 53 53 MET CA  C  57.553 . .
      238 53 53 MET CB  C  34.554 . .
      239 53 53 MET N   N 118.873 . .
      240 54 54 ALA H   H   8.505 . .
      241 54 54 ALA HA  H   3.933 . .
      242 54 54 ALA CA  C  56.207 . .
      243 54 54 ALA CB  C  18.261 . .
      244 54 54 ALA N   N 120.125 . .
      245 55 55 THR H   H   7.734 . .
      246 55 55 THR HA  H   4.365 . .
      247 55 55 THR CA  C  66.835 . .
      248 55 55 THR CB  C  69.177 . .
      249 55 55 THR N   N 113.005 . .
      250 56 56 LEU H   H   9.103 . .
      251 56 56 LEU HA  H   4.093 . .
      252 56 56 LEU CA  C  58.743 . .
      253 56 56 LEU CB  C  43.028 . .
      254 56 56 LEU N   N 125.132 . .
      255 57 57 LEU H   H   8.197 . .
      256 57 57 LEU HA  H   4.018 . .
      257 57 57 LEU CA  C  59.131 . .
      258 57 57 LEU CB  C  43.174 . .
      259 57 57 LEU N   N 117.347 . .
      260 58 58 VAL H   H   7.735 . .
      261 58 58 VAL HA  H   3.433 . .
      262 58 58 VAL CA  C  66.978 . .
      263 58 58 VAL CB  C  31.853 . .
      264 58 58 VAL N   N 116.671 . .
      265 59 59 THR H   H   8.791 . .
      266 59 59 THR HA  H   4.273 . .
      267 59 59 THR CA  C  67.035 . .
      268 59 59 THR CB  C  69.315 . .
      269 59 59 THR N   N 117.766 . .
      270 60 60 TYR H   H   8.378 . .
      271 60 60 TYR HA  H   3.956 . .
      272 60 60 TYR CA  C  62.150 . .
      273 60 60 TYR CB  C  37.654 . .
      274 60 60 TYR N   N 117.775 . .
      275 61 61 TYR H   H   7.837 . .
      276 61 61 TYR HA  H   5.000 . .
      277 61 61 TYR CA  C  57.569 . .
      278 61 61 TYR CB  C  40.222 . .
      279 61 61 TYR N   N 114.250 . .
      280 62 62 GLY H   H   8.110 . .
      281 62 62 GLY HA2 H   4.600 . .
      282 62 62 GLY HA3 H   4.048 . .
      283 62 62 GLY CA  C  44.587 . .
      284 62 62 GLY N   N 110.186 . .
      285 63 63 GLU H   H   8.837 . .
      286 63 63 GLU HA  H   3.842 . .
      287 63 63 GLU CA  C  61.805 . .
      288 63 63 GLU CB  C  30.391 . .
      289 63 63 GLU N   N 118.792 . .
      290 64 64 GLU H   H   8.551 . .
      291 64 64 GLU HA  H   4.081 . .
      292 64 64 GLU CA  C  60.949 . .
      293 64 64 GLU CB  C  29.294 . .
      294 64 64 GLU N   N 117.129 . .
      295 65 65 TYR H   H   9.419 . .
      296 65 65 TYR HA  H   4.447 . .
      297 65 65 TYR CA  C  60.584 . .
      298 65 65 TYR CB  C  37.318 . .
      299 65 65 TYR N   N 120.905 . .
      300 66 66 ALA H   H   8.439 . .
      301 66 66 ALA HA  H   3.833 . .
      302 66 66 ALA CA  C  56.445 . .
      303 66 66 ALA CB  C  19.542 . .
      304 66 66 ALA N   N 119.490 . .
      305 67 67 VAL H   H   7.950 . .
      306 67 67 VAL HA  H   3.512 . .
      307 67 67 VAL CA  C  68.039 . .
      308 67 67 VAL CB  C  31.607 . .
      309 67 67 VAL N   N 118.313 . .
      310 68 68 GLN H   H   7.724 . .
      311 68 68 GLN HA  H   3.879 . .
      312 68 68 GLN CA  C  59.761 . .
      313 68 68 GLN CB  C  28.387 . .
      314 68 68 GLN N   N 119.328 . .
      315 69 69 LEU H   H   8.870 . .
      316 69 69 LEU HA  H   3.874 . .
      317 69 69 LEU CA  C  57.757 . .
      318 69 69 LEU CB  C  42.620 . .
      319 69 69 LEU N   N 121.084 . .
      320 70 70 THR H   H   7.794 . .
      321 70 70 THR HA  H   4.284 . .
      322 70 70 THR CA  C  69.494 . .
      323 70 70 THR CB  C  67.944 . .
      324 70 70 THR N   N 116.420 . .
      325 71 71 LEU H   H   8.574 . .
      326 71 71 LEU HA  H   3.888 . .
      327 71 71 LEU CA  C  59.200 . .
      328 71 71 LEU CB  C  42.064 . .
      329 71 71 LEU N   N 120.886 . .
      330 72 72 GLN H   H   7.691 . .
      331 72 72 GLN HA  H   3.935 . .
      332 72 72 GLN CA  C  59.400 . .
      333 72 72 GLN CB  C  28.675 . .
      334 72 72 GLN N   N 117.929 . .
      335 73 73 VAL H   H   8.435 . .
      336 73 73 VAL HA  H   3.457 . .
      337 73 73 VAL CA  C  67.045 . .
      338 73 73 VAL CB  C  31.081 . .
      339 73 73 VAL N   N 121.446 . .
      340 74 74 LEU H   H   9.024 . .
      341 74 74 LEU HA  H   4.120 . .
      342 74 74 LEU CA  C  58.157 . .
      343 74 74 LEU CB  C  42.176 . .
      344 74 74 LEU N   N 118.041 . .
      345 75 75 ARG H   H   8.109 . .
      346 75 75 ARG HA  H   3.729 . .
      347 75 75 ARG CA  C  60.929 . .
      348 75 75 ARG CB  C  29.834 . .
      349 75 75 ARG N   N 117.055 . .
      350 76 76 ALA H   H   7.860 . .
      351 76 76 ALA HA  H   4.312 . .
      352 76 76 ALA CA  C  54.663 . .
      353 76 76 ALA CB  C  18.907 . .
      354 76 76 ALA N   N 122.635 . .
      355 77 77 ILE H   H   7.692 . .
      356 77 77 ILE HA  H   4.770 . .
      357 77 77 ILE CA  C  61.187 . .
      358 77 77 ILE CB  C  37.564 . .
      359 77 77 ILE N   N 110.128 . .
      360 78 78 ASN H   H   7.980 . .
      361 78 78 ASN HA  H   4.429 . .
      362 78 78 ASN CA  C  55.031 . .
      363 78 78 ASN CB  C  37.193 . .
      364 78 78 ASN N   N 115.916 . .
      365 79 79 GLN H   H   8.362 . .
      366 79 79 GLN HA  H   4.725 . .
      367 79 79 GLN CA  C  53.572 . .
      368 79 79 GLN CB  C  26.299 . .
      369 79 79 GLN N   N 119.584 . .
      370 80 80 ARG H   H   7.681 . .
      371 80 80 ARG HA  H   3.775 . .
      372 80 80 ARG CA  C  60.399 . .
      373 80 80 ARG CB  C  30.285 . .
      374 80 80 ARG N   N 118.712 . .
      375 81 81 LEU H   H   8.355 . .
      376 81 81 LEU HA  H   4.184 . .
      377 81 81 LEU CA  C  58.566 . .
      378 81 81 LEU CB  C  41.185 . .
      379 81 81 LEU N   N 120.879 . .
      380 82 82 LEU H   H   8.052 . .
      381 82 82 LEU HA  H   4.149 . .
      382 82 82 LEU CA  C  57.932 . .
      383 82 82 LEU CB  C  42.228 . .
      384 82 82 LEU N   N 120.128 . .
      385 83 83 ALA H   H   7.914 . .
      386 83 83 ALA HA  H   3.982 . .
      387 83 83 ALA CA  C  55.213 . .
      388 83 83 ALA CB  C  18.225 . .
      389 83 83 ALA N   N 119.898 . .
      390 84 84 GLU H   H   8.281 . .
      391 84 84 GLU HA  H   4.126 . .
      392 84 84 GLU CA  C  59.404 . .
      393 84 84 GLU CB  C  28.950 . .
      394 84 84 GLU N   N 118.357 . .
      395 85 85 GLU H   H   8.030 . .
      396 85 85 GLU HA  H   3.998 . .
      397 85 85 GLU CA  C  59.502 . .
      398 85 85 GLU CB  C  29.168 . .
      399 85 85 GLU N   N 119.650 . .
      400 86 86 LEU H   H   8.040 . .
      401 86 86 LEU CA  C  57.836 . .
      402 86 86 LEU CB  C  39.852 . .
      403 86 86 LEU N   N 121.803 . .
      404 87 87 HIS H   H   8.850 . .
      405 87 87 HIS HA  H   4.121 . .
      406 87 87 HIS CA  C  59.098 . .
      407 87 87 HIS CB  C  28.620 . .
      408 87 87 HIS N   N 118.086 . .
      409 88 88 ARG H   H   8.120 . .
      410 88 88 ARG HA  H   3.790 . .
      411 88 88 ARG CA  C  59.422 . .
      412 88 88 ARG CB  C  30.399 . .
      413 88 88 ARG N   N 116.856 . .
      414 89 89 ALA H   H   7.563 . .
      415 89 89 ALA HA  H   3.983 . .
      416 89 89 ALA CA  C  54.294 . .
      417 89 89 ALA CB  C  17.638 . .
      418 89 89 ALA N   N 120.385 . .
      419 90 90 ALA H   H   8.190 . .
      420 90 90 ALA HA  H   4.116 . .
      421 90 90 ALA CA  C  54.437 . .
      422 90 90 ALA CB  C  18.609 . .
      423 90 90 ALA N   N 119.598 . .
      424 91 91 ILE H   H   7.635 . .
      425 91 91 ILE HA  H   3.927 . .
      426 91 91 ILE CA  C  63.062 . .
      427 91 91 ILE CB  C  37.865 . .
      428 91 91 ILE N   N 117.647 . .
      429 92 92 GLN H   H   7.844 . .
      430 92 92 GLN HA  H   4.161 . .
      431 92 92 GLN CA  C  57.749 . .
      432 92 92 GLN CB  C  28.742 . .
      433 92 92 GLN N   N 120.463 . .
      434 93 93 LEU H   H   7.843 . .
      435 93 93 LEU HA  H   4.233 . .
      436 93 93 LEU CA  C  56.058 . .
      437 93 93 LEU CB  C  42.439 . .
      438 93 93 LEU N   N 119.682 . .
      439 94 94 GLU H   H   7.846 . .
      440 94 94 GLU HA  H   4.167 . .
      441 94 94 GLU CA  C  56.993 . .
      442 94 94 GLU CB  C  29.688 . .
      443 94 94 GLU N   N 119.389 . .
      444 95 95 HIS H   H   8.294 . .
      445 95 95 HIS CA  C  55.548 . .
      446 95 95 HIS CB  C  29.748 . .
      447 95 95 HIS N   N 118.315 . .

   stop_

save_