data_7330

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

save_entry_information
   _Saveframe_category      entry_information

   _Entry_title            
;
Solution Structure of BmKalphaIT01, an alpha-insect toxin from the Venom of the Chinese Scorpion Buthus martensi Karsch
;
   _BMRB_accession_number   7330
   _BMRB_flat_file_name     bmr7330.str
   _Entry_type              original
   _Submission_date         2006-11-08
   _Accession_date          2006-11-15
   _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 Tong X. T. . 
      2 Chen X. .  . 
      3 Wu   H. M. . 

   stop_

   loop_
      _Saveframe_category_type
      _Saveframe_category_type_count

      assigned_chemical_shifts 1 

   stop_

   loop_
      _Data_type
      _Data_type_count

      "1H chemical shifts" 374 

   stop_

   loop_
      _Revision_date
      _Revision_keyword
      _Revision_author
      _Revision_detail

      2007-10-09 original author . 

   stop_

   _Original_release_date   2007-10-09

save_


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

save_citations
   _Saveframe_category           entry_citation

   _Citation_full                .
   _Citation_title              'Solution Structure of BmKalphaIT01, an alpha-insect toxin from the Venom of the Chinese Scorpion Buthus martensi Karsch'
   _Citation_status              published
   _Citation_type                journal
   _CAS_abstract_code            .
   _MEDLINE_UI_code              .
   _PubMed_ID                    17877370

   loop_
      _Author_ordinal
      _Author_family_name
      _Author_given_name
      _Author_middle_initials
      _Author_family_title

      1 Tong X. T. . 
      2 Zhu  J. .  . 
      3 Ma   Y. G. . 
      4 Chen X. .  . 
      5 Wu   G. .  . 
      6 He   F. H. . 
      7 Cao  C. .  . 
      8 Wu   H. M. . 

   stop_

   _Journal_abbreviation         Biochemistry
   _Journal_volume               46
   _Journal_issue                40
   _Journal_CSD                  0353
   _Book_chapter_title           .
   _Book_volume                  .
   _Book_series                  .
   _Book_ISBN                    .
   _Conference_state_province    .
   _Conference_abstract_number   .
   _Page_first                   11322
   _Page_last                    11330
   _Year                         2007
   _Details                      .

save_


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

save_assembly
   _Saveframe_category         molecular_system

   _Mol_system_name            Alpha-neurotoxin_TX12
   _Enzyme_commission_number   .

   loop_
      _Mol_system_component_name
      _Mol_label

      Alpha-neurotoxin_TX12 $Alpha-neurotoxin_TX12 

   stop_

   _System_molecular_weight    .
   _System_physical_state      native
   _System_oligomer_state      ?
   _System_paramagnetic        no
   _System_thiol_state        'all disulfide bound'
   _Database_query_date        .
   _Details                    .

save_


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

save_Alpha-neurotoxin_TX12
   _Saveframe_category                          monomeric_polymer

   _Mol_type                                    polymer
   _Mol_polymer_class                           protein
   _Name_common                                 Alpha-neurotoxin_TX12
   _Molecular_mass                              .
   _Mol_thiol_state                            'all disulfide bound'
   _Details                                     .

   	##############################
   	#  Polymer residue sequence  #
   	##############################
   
      _Residue_count                               64
   _Mol_residue_sequence                       
;
VRDAYIAQNYNCVYHCARDA
YCNELCTKNGAKSGSCPYLG
EHKFACYCKDLPDNVPIRVP
GKCH
;

   loop_
      _Residue_seq_code
      _Residue_label

       1 VAL   2 ARG   3 ASP   4 ALA   5 TYR 
       6 ILE   7 ALA   8 GLN   9 ASN  10 TYR 
      11 ASN  12 CYS  13 VAL  14 TYR  15 HIS 
      16 CYS  17 ALA  18 ARG  19 ASP  20 ALA 
      21 TYR  22 CYS  23 ASN  24 GLU  25 LEU 
      26 CYS  27 THR  28 LYS  29 ASN  30 GLY 
      31 ALA  32 LYS  33 SER  34 GLY  35 SER 
      36 CYS  37 PRO  38 TYR  39 LEU  40 GLY 
      41 GLU  42 HIS  43 LYS  44 PHE  45 ALA 
      46 CYS  47 TYR  48 CYS  49 LYS  50 ASP 
      51 LEU  52 PRO  53 ASP  54 ASN  55 VAL 
      56 PRO  57 ILE  58 ARG  59 VAL  60 PRO 
      61 GLY  62 LYS  63 CYS  64 HIS 

   stop_

   _Sequence_homology_query_date                .
   _Sequence_homology_query_revised_last_date   2014-10-25

   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 1OMY     "Crystal Structure Of A Recombinant Alpha-Insect Toxin Bmkait1 From The Scorpion Buthus Martensii Karsch"                         100.00 65 100.00 100.00 1.45e-38 
      PDB 2E0H     "Solution Structure Of Bmkalphait01, An Alpha-Insect Toxin From The Venom Of The Chinese Scorpion Buthus Martensi Karsch"         100.00 64 100.00 100.00 2.17e-38 
      GB  AAG39640 "putative mammalian neurotoxin TX12 [Mesobuthus martensii]"                                                                       100.00 85 100.00 100.00 2.67e-39 
      GB  AAV88456 "sodium toxin peptide BmKTb [Mesobuthus martensii]"                                                                               100.00 85  98.44 100.00 2.42e-38 
      GB  AAV88457 "sodium toxin peptide BmKTb' [Mesobuthus martensii]"                                                                               98.44 85  98.41 100.00 1.02e-37 
      SP  Q9GQW3   "RecName: Full=Toxin BmKaIT1; Short=BmKalphaIT1; AltName: Full=Alpha-neurotoxin IT01; AltName: Full=Alpha-neurotoxin TX12; AltNa" 100.00 85 100.00 100.00 2.67e-39 

   stop_

save_


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

save_natural_source
   _Saveframe_category   natural_source


   loop_
      _Mol_label
      _Organism_name_common
      _NCBI_taxonomy_ID
      _Superkingdom
      _Kingdom
      _Genus
      _Species
      _Strain
      _Details

      $Alpha-neurotoxin_TX12 'Chinese armor-tail scorpion' 34649 . Eukaryota Metazoa Mesobuthus martensii 'Buthus martensi Karsch, Scorpion from Henan province of P.R. China' 

   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

      $Alpha-neurotoxin_TX12 'recombinant technology' . . . . . 

   stop_

save_


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

save_sample_1
   _Saveframe_category   sample

   _Sample_type          solution
   _Details             '1.4mM BmKalphaIT01; 20mM phosphate buffer; 90% H2O, 10% D2O'

   loop_
      _Mol_label
      _Concentration_value
      _Concentration_value_units
      _Isotopic_labeling

      $Alpha-neurotoxin_TX12  1.4 mM none 
      'phosphate buffer'     20   mM .    
       H2O                   90   %  .    
       D2O                   10   %  .    

   stop_

save_


save_sample_2
   _Saveframe_category   sample

   _Sample_type          solution
   _Details             '1.4mM BmKalphaIT01; 20mM phosphate buffer; 100% D2O'

   loop_
      _Mol_label
      _Concentration_value
      _Concentration_value_units
      _Isotopic_labeling

      $Alpha-neurotoxin_TX12   1.4 mM none 
      'phosphate buffer'      20   mM .    
       D2O                   100   %  .    

   stop_

save_


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

save_VNMR
   _Saveframe_category   software

   _Name                 VNMR
   _Version              6.1B

   loop_
      _Vendor
      _Address
      _Electronic_address

      'Carlisle, M., Steele, D., Miller, M.' . . 

   stop_

   loop_
      _Task

      collection 
      processing 

   stop_

   _Details              .

save_


save_XEASY
   _Saveframe_category   software

   _Name                 XEASY
   _Version              1994

   loop_
      _Vendor
      _Address
      _Electronic_address

      'Xia, T.-H., Bartel, C.' . . 

   stop_

   loop_
      _Task

      'data analysis' 

   stop_

   _Details              .

save_


save_AMBER
   _Saveframe_category   software

   _Name                 AMBER
   _Version              5.0

   loop_
      _Vendor
      _Address
      _Electronic_address

      'Kollman, P.A., Case, D., Merz, K., Cheatham, T., Simmerling, C., Pharmaceuticals, V.' . . 

   stop_

   loop_
      _Task

      refinement 

   stop_

   _Details              .

save_


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

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

save_spectrometer_1
   _Saveframe_category   NMR_spectrometer

   _Manufacturer         Varian
   _Model                INOVA
   _Field_strength       600
   _Details              .

save_


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

save_2D_NOESY_1
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '2D NOESY'
   _Sample_label        $sample_1

save_


save_2D_TOCSY_2
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '2D TOCSY'
   _Sample_label        $sample_1

save_


save_DQF-COSY_3
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name      DQF-COSY
   _Sample_label        $sample_1

save_


save_2D_NOESY_4
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '2D NOESY'
   _Sample_label        $sample_2

save_


save_2D_TOCSY_5
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '2D TOCSY'
   _Sample_label        $sample_2

save_


save_2D_TOCSY_6
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '2D TOCSY'
   _Sample_label        $sample_2

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'    .  . .   
       pH                4.9 . pH  
       pressure          1   . atm 
       temperature     300   . K   

   stop_

save_


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

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

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

save_chemical_shift_reference_1
   _Saveframe_category   chemical_shift_reference

   _Details              .

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 NOESY' 
      '2D TOCSY' 
       DQF-COSY  

   stop_

   loop_
      _Sample_label

      $sample_1 
      $sample_2 

   stop_

   _Sample_conditions_label         $sample_conditions_1
   _Chem_shift_reference_set_label  $chemical_shift_reference_1
   _Mol_system_component_name        Alpha-neurotoxin_TX12
   _Text_data_format                 .
   _Text_data                        .

   loop_
      _Atom_shift_assign_ID
      _Residue_author_seq_code
      _Residue_seq_code
      _Residue_label
      _Atom_name
      _Atom_type
      _Chem_shift_value
      _Chem_shift_value_error
      _Chem_shift_ambiguity_code

        1  1  1 VAL HA   H  4.17 . . 
        2  1  1 VAL HB   H  1.59 . . 
        3  1  1 VAL HG1  H  0.87 . . 
        4  1  1 VAL HG2  H  0.76 . . 
        5  2  2 ARG H    H  8.79 . . 
        6  2  2 ARG HA   H  4.15 . . 
        7  2  2 ARG HB2  H  2.01 . . 
        8  2  2 ARG HB3  H  1.70 . . 
        9  2  2 ARG HD2  H  3.08 . . 
       10  2  2 ARG HD3  H  3.08 . . 
       11  2  2 ARG HE   H  7.69 . . 
       12  2  2 ARG HG2  H  1.50 . . 
       13  2  2 ARG HG3  H  1.32 . . 
       14  3  3 ASP H    H  8.42 . . 
       15  3  3 ASP HA   H  5.35 . . 
       16  3  3 ASP HB2  H  2.65 . . 
       17  3  3 ASP HB3  H  2.48 . . 
       18  4  4 ALA H    H  8.05 . . 
       19  4  4 ALA HA   H  4.32 . . 
       20  4  4 ALA HB   H  1.30 . . 
       21  5  5 TYR H    H  8.61 . . 
       22  5  5 TYR HA   H  5.19 . . 
       23  5  5 TYR HB2  H  2.93 . . 
       24  5  5 TYR HB3  H  2.93 . . 
       25  5  5 TYR HD1  H  7.34 . . 
       26  5  5 TYR HD2  H  7.34 . . 
       27  5  5 TYR HE1  H  6.98 . . 
       28  5  5 TYR HE2  H  6.98 . . 
       29  6  6 ILE H    H  6.44 . . 
       30  6  6 ILE HA   H  4.12 . . 
       31  6  6 ILE HB   H  1.80 . . 
       32  6  6 ILE HD1  H  0.70 . . 
       33  6  6 ILE HG12 H  1.78 . . 
       34  6  6 ILE HG13 H  1.36 . . 
       35  6  6 ILE HG2  H  0.74 . . 
       36  7  7 ALA H    H  7.88 . . 
       37  7  7 ALA HA   H  5.34 . . 
       38  7  7 ALA HB   H  0.93 . . 
       39  8  8 GLN H    H  8.94 . . 
       40  8  8 GLN HA   H  4.47 . . 
       41  8  8 GLN HB2  H  1.63 . . 
       42  8  8 GLN HB3  H  1.26 . . 
       43  8  8 GLN HE21 H  6.47 . . 
       44  8  8 GLN HE22 H  6.40 . . 
       45  8  8 GLN HG2  H  1.47 . . 
       46  8  8 GLN HG3  H  1.40 . . 
       47  9  9 ASN H    H  8.27 . . 
       48  9  9 ASN HA   H  4.19 . . 
       49  9  9 ASN HB2  H  2.34 . . 
       50  9  9 ASN HB3  H  2.13 . . 
       51  9  9 ASN HD21 H  6.74 . . 
       52  9  9 ASN HD22 H  7.30 . . 
       53 10 10 TYR H    H  7.87 . . 
       54 10 10 TYR HA   H  4.29 . . 
       55 10 10 TYR HB2  H  2.46 . . 
       56 10 10 TYR HB3  H  1.79 . . 
       57 10 10 TYR HD1  H  7.08 . . 
       58 10 10 TYR HD2  H  7.08 . . 
       59 10 10 TYR HE1  H  6.79 . . 
       60 10 10 TYR HE2  H  6.79 . . 
       61 11 11 ASN H    H  9.12 . . 
       62 11 11 ASN HA   H  4.19 . . 
       63 11 11 ASN HB2  H  3.90 . . 
       64 11 11 ASN HB3  H  2.24 . . 
       65 11 11 ASN HD21 H  7.04 . . 
       66 11 11 ASN HD22 H  6.34 . . 
       67 12 12 CYS H    H  8.15 . . 
       68 12 12 CYS HA   H  5.10 . . 
       69 12 12 CYS HB2  H  3.14 . . 
       70 12 12 CYS HB3  H  2.27 . . 
       71 13 13 VAL H    H  8.22 . . 
       72 13 13 VAL HA   H  4.49 . . 
       73 13 13 VAL HB   H  2.57 . . 
       74 13 13 VAL HG1  H  0.52 . . 
       75 13 13 VAL HG2  H  0.48 . . 
       76 14 14 TYR H    H  9.05 . . 
       77 14 14 TYR HA   H  4.50 . . 
       78 14 14 TYR HB2  H  2.83 . . 
       79 14 14 TYR HB3  H  2.73 . . 
       80 14 14 TYR HD1  H  7.14 . . 
       81 14 14 TYR HD2  H  7.14 . . 
       82 14 14 TYR HE1  H  6.47 . . 
       83 14 14 TYR HE2  H  6.47 . . 
       84 15 15 HIS H    H  8.65 . . 
       85 15 15 HIS HA   H  5.11 . . 
       86 15 15 HIS HB2  H  3.28 . . 
       87 15 15 HIS HB3  H  3.22 . . 
       88 15 15 HIS HD2  H  8.58 . . 
       89 15 15 HIS HE1  H  7.40 . . 
       90 16 16 CYS H    H  8.20 . . 
       91 16 16 CYS HA   H  4.21 . . 
       92 16 16 CYS HB2  H  3.20 . . 
       93 16 16 CYS HB3  H  3.20 . . 
       94 17 17 ALA H    H  8.88 . . 
       95 17 17 ALA HA   H  4.55 . . 
       96 17 17 ALA HB   H  1.35 . . 
       97 18 18 ARG H    H  7.58 . . 
       98 18 18 ARG HA   H  5.01 . . 
       99 18 18 ARG HB2  H  2.11 . . 
      100 18 18 ARG HB3  H  1.92 . . 
      101 18 18 ARG HD2  H  3.30 . . 
      102 18 18 ARG HD3  H  3.30 . . 
      103 18 18 ARG HE   H  7.25 . . 
      104 18 18 ARG HG2  H  1.70 . . 
      105 18 18 ARG HG3  H  1.70 . . 
      106 19 19 ASP H    H  9.01 . . 
      107 19 19 ASP HA   H  4.15 . . 
      108 19 19 ASP HB2  H  2.88 . . 
      109 19 19 ASP HB3  H  2.69 . . 
      110 20 20 ALA H    H  8.94 . . 
      111 20 20 ALA HA   H  4.09 . . 
      112 20 20 ALA HB   H  1.48 . . 
      113 21 21 TYR H    H  6.82 . . 
      114 21 21 TYR HA   H  4.32 . . 
      115 21 21 TYR HB2  H  3.39 . . 
      116 21 21 TYR HB3  H  2.96 . . 
      117 21 21 TYR HD1  H  7.11 . . 
      118 21 21 TYR HD2  H  7.11 . . 
      119 21 21 TYR HE1  H  6.81 . . 
      120 21 21 TYR HE2  H  6.81 . . 
      121 22 22 CYS H    H  6.88 . . 
      122 22 22 CYS HA   H  4.23 . . 
      123 22 22 CYS HB2  H  2.74 . . 
      124 22 22 CYS HB3  H  2.32 . . 
      125 23 23 ASN H    H  9.16 . . 
      126 23 23 ASN HA   H  4.02 . . 
      127 23 23 ASN HB2  H  2.84 . . 
      128 23 23 ASN HB3  H  2.79 . . 
      129 23 23 ASN HD21 H  7.66 . . 
      130 23 23 ASN HD22 H  6.91 . . 
      131 24 24 GLU H    H  7.92 . . 
      132 24 24 GLU HA   H  3.81 . . 
      133 24 24 GLU HB2  H  2.06 . . 
      134 24 24 GLU HB3  H  2.00 . . 
      135 24 24 GLU HG2  H  2.30 . . 
      136 24 24 GLU HG3  H  2.17 . . 
      137 25 25 LEU H    H  7.51 . . 
      138 25 25 LEU HA   H  3.76 . . 
      139 25 25 LEU HB2  H  1.32 . . 
      140 25 25 LEU HB3  H  0.99 . . 
      141 25 25 LEU HD1  H  0.26 . . 
      142 25 25 LEU HD2  H -0.12 . . 
      143 25 25 LEU HG   H  0.85 . . 
      144 26 26 CYS H    H  8.78 . . 
      145 26 26 CYS HA   H  3.96 . . 
      146 26 26 CYS HB2  H  2.57 . . 
      147 26 26 CYS HB3  H  2.57 . . 
      148 27 27 THR H    H  8.21 . . 
      149 27 27 THR HA   H  4.29 . . 
      150 27 27 THR HB   H  4.14 . . 
      151 27 27 THR HG2  H  1.12 . . 
      152 28 28 LYS H    H  8.30 . . 
      153 28 28 LYS HA   H  4.13 . . 
      154 28 28 LYS HB2  H  2.00 . . 
      155 28 28 LYS HB3  H  1.83 . . 
      156 28 28 LYS HD2  H  1.60 . . 
      157 28 28 LYS HD3  H  1.60 . . 
      158 28 28 LYS HE2  H  2.90 . . 
      159 28 28 LYS HE3  H  2.90 . . 
      160 28 28 LYS HG2  H  1.47 . . 
      161 28 28 LYS HG3  H  1.47 . . 
      162 28 28 LYS HZ   H  7.50 . . 
      163 29 29 ASN H    H  7.03 . . 
      164 29 29 ASN HA   H  4.65 . . 
      165 29 29 ASN HB2  H  2.99 . . 
      166 29 29 ASN HB3  H  2.39 . . 
      167 29 29 ASN HD21 H  7.36 . . 
      168 29 29 ASN HD22 H  7.52 . . 
      169 30 30 GLY H    H  7.69 . . 
      170 30 30 GLY HA2  H  4.15 . . 
      171 30 30 GLY HA3  H  3.74 . . 
      172 31 31 ALA H    H  7.90 . . 
      173 31 31 ALA HA   H  4.69 . . 
      174 31 31 ALA HB   H  1.25 . . 
      175 32 32 LYS H    H  7.84 . . 
      176 32 32 LYS HA   H  4.14 . . 
      177 32 32 LYS HB2  H  1.78 . . 
      178 32 32 LYS HB3  H  1.67 . . 
      179 32 32 LYS HD2  H  1.54 . . 
      180 32 32 LYS HD3  H  1.54 . . 
      181 32 32 LYS HE2  H  2.99 . . 
      182 32 32 LYS HE3  H  2.99 . . 
      183 32 32 LYS HG2  H  1.45 . . 
      184 32 32 LYS HG3  H  1.45 . . 
      185 32 32 LYS HZ   H  8.56 . . 
      186 33 33 SER H    H  7.45 . . 
      187 33 33 SER HA   H  4.50 . . 
      188 33 33 SER HB2  H  3.96 . . 
      189 33 33 SER HB3  H  3.91 . . 
      190 34 34 GLY H    H  8.71 . . 
      191 34 34 GLY HA2  H  5.09 . . 
      192 34 34 GLY HA3  H  3.86 . . 
      193 35 35 SER H    H  8.91 . . 
      194 35 35 SER HA   H  4.60 . . 
      195 35 35 SER HB2  H  3.87 . . 
      196 35 35 SER HB3  H  3.80 . . 
      197 36 36 CYS H    H  9.77 . . 
      198 36 36 CYS HA   H  5.56 . . 
      199 36 36 CYS HB2  H  3.00 . . 
      200 36 36 CYS HB3  H  2.93 . . 
      201 37 37 PRO HA   H  4.40 . . 
      202 37 37 PRO HB2  H  2.20 . . 
      203 37 37 PRO HB3  H  2.08 . . 
      204 37 37 PRO HD2  H  3.70 . . 
      205 37 37 PRO HD3  H  3.70 . . 
      206 37 37 PRO HG2  H  1.83 . . 
      207 37 37 PRO HG3  H  1.83 . . 
      208 38 38 TYR H    H  8.06 . . 
      209 38 38 TYR HA   H  3.93 . . 
      210 38 38 TYR HB2  H  2.93 . . 
      211 38 38 TYR HB3  H  2.76 . . 
      212 38 38 TYR HD1  H  6.89 . . 
      213 38 38 TYR HD2  H  6.89 . . 
      214 38 38 TYR HE1  H  6.77 . . 
      215 38 38 TYR HE2  H  6.77 . . 
      216 39 39 LEU H    H  7.20 . . 
      217 39 39 LEU HA   H  4.39 . . 
      218 39 39 LEU HB2  H  1.38 . . 
      219 39 39 LEU HB3  H  1.38 . . 
      220 39 39 LEU HD1  H  0.79 . . 
      221 39 39 LEU HD2  H  0.74 . . 
      222 39 39 LEU HG   H  1.28 . . 
      223 40 40 GLY H    H  8.03 . . 
      224 40 40 GLY HA2  H  4.18 . . 
      225 40 40 GLY HA3  H  3.60 . . 
      226 41 41 GLU H    H  8.47 . . 
      227 41 41 GLU HA   H  3.74 . . 
      228 41 41 GLU HB2  H  1.80 . . 
      229 41 41 GLU HB3  H  1.63 . . 
      230 41 41 GLU HG2  H  1.99 . . 
      231 41 41 GLU HG3  H  1.99 . . 
      232 42 42 HIS H    H  7.52 . . 
      233 42 42 HIS HA   H  4.47 . . 
      234 42 42 HIS HB2  H  2.80 . . 
      235 42 42 HIS HB3  H  2.57 . . 
      236 42 42 HIS HD2  H  8.30 . . 
      237 42 42 HIS HE1  H  7.11 . . 
      238 43 43 LYS H    H  8.28 . . 
      239 43 43 LYS HA   H  4.13 . . 
      240 43 43 LYS HB2  H  2.00 . . 
      241 43 43 LYS HB3  H  1.84 . . 
      242 43 43 LYS HD2  H  1.50 . . 
      243 43 43 LYS HD3  H  1.50 . . 
      244 43 43 LYS HG2  H  1.46 . . 
      245 43 43 LYS HG3  H  1.46 . . 
      246 44 44 PHE H    H  8.92 . . 
      247 44 44 PHE HA   H  3.85 . . 
      248 44 44 PHE HB2  H  2.73 . . 
      249 44 44 PHE HB3  H  2.67 . . 
      250 44 44 PHE HD1  H  7.00 . . 
      251 44 44 PHE HD2  H  7.00 . . 
      252 44 44 PHE HE1  H  6.79 . . 
      253 44 44 PHE HE2  H  6.79 . . 
      254 44 44 PHE HZ   H  6.79 . . 
      255 45 45 ALA H    H  7.45 . . 
      256 45 45 ALA HA   H  5.39 . . 
      257 45 45 ALA HB   H  1.31 . . 
      258 46 46 CYS H    H  8.21 . . 
      259 46 46 CYS HA   H  5.43 . . 
      260 46 46 CYS HB2  H  2.74 . . 
      261 46 46 CYS HB3  H  2.74 . . 
      262 47 47 TYR H    H  9.23 . . 
      263 47 47 TYR HA   H  4.48 . . 
      264 47 47 TYR HB2  H  2.68 . . 
      265 47 47 TYR HB3  H  2.49 . . 
      266 47 47 TYR HD1  H  5.81 . . 
      267 47 47 TYR HD2  H  5.81 . . 
      268 47 47 TYR HE1  H  6.43 . . 
      269 47 47 TYR HE2  H  6.43 . . 
      270 48 48 CYS H    H  8.72 . . 
      271 48 48 CYS HA   H  5.35 . . 
      272 48 48 CYS HB2  H  2.90 . . 
      273 48 48 CYS HB3  H  2.51 . . 
      274 49 49 LYS H    H  8.08 . . 
      275 49 49 LYS HA   H  4.48 . . 
      276 49 49 LYS HB2  H  1.63 . . 
      277 49 49 LYS HB3  H  1.46 . . 
      278 49 49 LYS HD2  H  1.28 . . 
      279 49 49 LYS HD3  H  1.28 . . 
      280 49 49 LYS HE2  H  2.98 . . 
      281 49 49 LYS HE3  H  2.98 . . 
      282 49 49 LYS HG2  H  1.08 . . 
      283 49 49 LYS HG3  H  1.08 . . 
      284 50 50 ASP H    H  8.94 . . 
      285 50 50 ASP HA   H  3.86 . . 
      286 50 50 ASP HB2  H  2.73 . . 
      287 50 50 ASP HB3  H  2.67 . . 
      288 51 51 LEU H    H  8.83 . . 
      289 51 51 LEU HA   H  4.15 . . 
      290 51 51 LEU HB2  H  1.97 . . 
      291 51 51 LEU HB3  H  1.07 . . 
      292 51 51 LEU HD1  H  0.88 . . 
      293 51 51 LEU HD2  H  0.65 . . 
      294 51 51 LEU HG   H  1.70 . . 
      295 52 52 PRO HA   H  4.33 . . 
      296 52 52 PRO HB2  H  2.32 . . 
      297 52 52 PRO HB3  H  2.02 . . 
      298 52 52 PRO HD2  H  3.76 . . 
      299 52 52 PRO HD3  H  3.55 . . 
      300 52 52 PRO HG2  H  2.39 . . 
      301 52 52 PRO HG3  H  2.11 . . 
      302 53 53 ASP H    H  8.61 . . 
      303 53 53 ASP HA   H  4.10 . . 
      304 53 53 ASP HB2  H  2.62 . . 
      305 53 53 ASP HB3  H  2.46 . . 
      306 54 54 ASN H    H  8.10 . . 
      307 54 54 ASN HA   H  4.49 . . 
      308 54 54 ASN HB2  H  2.98 . . 
      309 54 54 ASN HB3  H  2.68 . . 
      310 54 54 ASN HD21 H  7.55 . . 
      311 54 54 ASN HD22 H  6.77 . . 
      312 55 55 VAL H    H  7.32 . . 
      313 55 55 VAL HA   H  4.28 . . 
      314 55 55 VAL HB   H  1.89 . . 
      315 55 55 VAL HG1  H  1.18 . . 
      316 55 55 VAL HG2  H  1.13 . . 
      317 56 56 PRO HA   H  4.29 . . 
      318 56 56 PRO HB2  H  2.25 . . 
      319 56 56 PRO HB3  H  2.20 . . 
      320 56 56 PRO HD2  H  4.04 . . 
      321 56 56 PRO HD3  H  3.93 . . 
      322 56 56 PRO HG2  H  1.92 . . 
      323 56 56 PRO HG3  H  1.92 . . 
      324 57 57 ILE H    H  7.75 . . 
      325 57 57 ILE HA   H  4.91 . . 
      326 57 57 ILE HB   H  1.82 . . 
      327 57 57 ILE HD1  H  0.72 . . 
      328 57 57 ILE HG12 H  1.17 . . 
      329 57 57 ILE HG13 H  0.90 . . 
      330 57 57 ILE HG2  H  0.65 . . 
      331 58 58 ARG H    H  8.38 . . 
      332 58 58 ARG HA   H  4.32 . . 
      333 58 58 ARG HB2  H  1.86 . . 
      334 58 58 ARG HB3  H  1.18 . . 
      335 58 58 ARG HD2  H  3.10 . . 
      336 58 58 ARG HD3  H  3.10 . . 
      337 58 58 ARG HE   H  7.90 . . 
      338 58 58 ARG HG2  H  1.30 . . 
      339 58 58 ARG HG3  H  1.30 . . 
      340 59 59 VAL H    H  9.36 . . 
      341 59 59 VAL HA   H  4.88 . . 
      342 59 59 VAL HB   H  2.38 . . 
      343 59 59 VAL HG1  H  0.94 . . 
      344 59 59 VAL HG2  H  0.80 . . 
      345 60 60 PRO HA   H  4.29 . . 
      346 60 60 PRO HB2  H  2.24 . . 
      347 60 60 PRO HB3  H  2.16 . . 
      348 60 60 PRO HD2  H  3.70 . . 
      349 60 60 PRO HD3  H  3.81 . . 
      350 60 60 PRO HG2  H  1.90 . . 
      351 60 60 PRO HG3  H  1.81 . . 
      352 61 61 GLY H    H  8.22 . . 
      353 61 61 GLY HA2  H  4.49 . . 
      354 61 61 GLY HA3  H  3.74 . . 
      355 62 62 LYS H    H  8.55 . . 
      356 62 62 LYS HA   H  4.43 . . 
      357 62 62 LYS HB2  H  1.78 . . 
      358 62 62 LYS HB3  H  1.74 . . 
      359 62 62 LYS HD2  H  1.69 . . 
      360 62 62 LYS HD3  H  1.69 . . 
      361 62 62 LYS HE2  H  3.00 . . 
      362 62 62 LYS HE3  H  3.00 . . 
      363 62 62 LYS HG2  H  1.44 . . 
      364 62 62 LYS HG3  H  1.44 . . 
      365 63 63 CYS H    H  8.54 . . 
      366 63 63 CYS HA   H  5.29 . . 
      367 63 63 CYS HB2  H  3.73 . . 
      368 63 63 CYS HB3  H  2.57 . . 
      369 64 64 HIS H    H  9.10 . . 
      370 64 64 HIS HA   H  4.72 . . 
      371 64 64 HIS HB2  H  3.36 . . 
      372 64 64 HIS HB3  H  3.00 . . 
      373 64 64 HIS HD2  H  7.24 . . 
      374 64 64 HIS HE1  H  8.40 . . 

   stop_

save_