data_27147

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

save_entry_information
   _Saveframe_category      entry_information

   _Entry_title
;
1H, 13C and 15N chemical shift assignments for the repetitive domain of E. australis major ampullate spidroin 1
;
   _BMRB_accession_number   27147
   _BMRB_flat_file_name     bmr27147.str
   _Entry_type              original
   _Submission_date         2017-06-19
   _Accession_date          2017-06-19
   _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 Otikovs   Martins  .  .
       2 Andersson Marlene  .  .
       3 Jia       Quipin   .  .
       4 Nordling  Kerstin  .  .
       5 Meng      Qing     .  .
       6 Andreas   Loren    B. .
       7 Pintacuda Guido    .  .
       8 Johansson Jan      .  .
       9 Rising    Anna     .  .
      10 Jaudzems  Kristaps .  .

   stop_

   loop_
      _Saveframe_category_type
      _Saveframe_category_type_count

      assigned_chemical_shifts 1

   stop_

   loop_
      _Data_type
      _Data_type_count

      "1H chemical shifts"   92
      "13C chemical shifts" 246
      "15N chemical shifts"  92

   stop_

   loop_
      _Revision_date
      _Revision_keyword
      _Revision_author
      _Revision_detail

      2017-11-16 original BMRB .

   stop_

   _Original_release_date   2017-06-19

save_


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

save_entry_citation
   _Saveframe_category           entry_citation

   _Citation_full                .
   _Citation_title
;
Degree of Biomimicry of Artificial Spider Silk Spinning Assessed by NMR Spectroscopy.
;
   _Citation_status              published
   _Citation_type                journal
   _CAS_abstract_code            .
   _MEDLINE_UI_code              .
   _PubMed_ID                    28791761

   loop_
      _Author_ordinal
      _Author_family_name
      _Author_given_name
      _Author_middle_initials
      _Author_family_title

       1 Otikovs   Martins  .  .
       2 Andersson Marlene  .  .
       3 Jia       Qiupin   .  .
       4 Nordling  Kerstin  .  .
       5 Meng      Qing     .  .
       6 Andreas   Loren    B. .
       7 Pintacuda Guido    .  .
       8 Johansson Jan      .  .
       9 Rising    Anna     .  .
      10 Jaudzems  Kristaps .  .

   stop_

   _Journal_abbreviation        'Angew. Chem. Int. Ed. Engl.'
   _Journal_name_full           'Angewandte Chemie (International ed. in English)'
   _Journal_volume               56
   _Journal_issue                41
   _Journal_ISSN                 1521-3773
   _Journal_CSD                  .
   _Book_chapter_title           .
   _Book_volume                  .
   _Book_series                  .
   _Book_ISBN                    .
   _Conference_state_province    .
   _Conference_abstract_number   .
   _Page_first                   12571
   _Page_last                    12575
   _Year                         2017
   _Details                      .

save_


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

save_assembly
   _Saveframe_category         molecular_system

   _Mol_system_name            NT-2Rep-CT
   _Enzyme_commission_number   .

   loop_
      _Mol_system_component_name
      _Mol_label

      'Dimer of NT-2Rep-CT' $NT-2Rep-CT

   stop_

   _System_molecular_weight    66557
   _System_physical_state      native
   _System_oligomer_state      ?
   _System_paramagnetic        no
   _System_thiol_state         .
   _Database_query_date        .
   _Details
;
NT and two repeat regions (2Rep) from E. australis major ampullate spidroin 1, and a CT from A. ventricosus minor ampullate spidroin
;

save_


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

save_NT-2Rep-CT
   _Saveframe_category                          monomeric_polymer

   _Mol_type                                    polymer
   _Mol_polymer_class                           protein
   _Name_common                                 NT-2Rep-CT
   _Molecular_mass                              .
   _Mol_thiol_state                            'not present'
   _Details                                     .

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

      _Residue_count                               346
   _Mol_residue_sequence
;
MGHHHHHHMSHTTPWTNPGL
AENFMNSFMQGLSSMPGFTA
SQLDDMSTIAQSMVQSIQSL
AAQGRTSPNKLQALNMAFAS
SMAEIAASEEGGGSLSTKTS
SIASAMSNAFLQTTGVVNQP
FINEITQLVSMFAQAGMNDV
SAGNSGRGQGGYGQGSGGNA
AAAAAAAAAAAAAAGQGGQG
GYGRQSQGAGSAAAAAAAAA
AAAAAGSGQGGYGGQGQGGY
GQSGNSVTSGGYGYGTSAAA
GAGVAAGSYAGAVNRLSSAE
AASRVSSNIAAIASGGASAL
PSVISNIYSGVVASGVSSNE
ALIQALLELLSALVHVLSSA
SIGNVSSVGVDSTLNVVQDS
VGQYVG
;

   loop_
      _Residue_seq_code
      _Residue_author_seq_code
      _Residue_label

        1   1 MET    2   2 GLY    3   3 HIS    4   4 HIS    5   5 HIS
        6   6 HIS    7   7 HIS    8   8 HIS    9   9 MET   10  10 SER
       11  11 HIS   12  12 THR   13  13 THR   14  14 PRO   15  15 TRP
       16  16 THR   17  17 ASN   18  18 PRO   19  19 GLY   20  20 LEU
       21  21 ALA   22  22 GLU   23  23 ASN   24  24 PHE   25  25 MET
       26  26 ASN   27  27 SER   28  28 PHE   29  29 MET   30  30 GLN
       31  31 GLY   32  32 LEU   33  33 SER   34  34 SER   35  35 MET
       36  36 PRO   37  37 GLY   38  38 PHE   39  39 THR   40  40 ALA
       41  41 SER   42  42 GLN   43  43 LEU   44  44 ASP   45  45 ASP
       46  46 MET   47  47 SER   48  48 THR   49  49 ILE   50  50 ALA
       51  51 GLN   52  52 SER   53  53 MET   54  54 VAL   55  55 GLN
       56  56 SER   57  57 ILE   58  58 GLN   59  59 SER   60  60 LEU
       61  61 ALA   62  62 ALA   63  63 GLN   64  64 GLY   65  65 ARG
       66  66 THR   67  67 SER   68  68 PRO   69  69 ASN   70  70 LYS
       71  71 LEU   72  72 GLN   73  73 ALA   74  74 LEU   75  75 ASN
       76  76 MET   77  77 ALA   78  78 PHE   79  79 ALA   80  80 SER
       81  81 SER   82  82 MET   83  83 ALA   84  84 GLU   85  85 ILE
       86  86 ALA   87  87 ALA   88  88 SER   89  89 GLU   90  90 GLU
       91  91 GLY   92  92 GLY   93  93 GLY   94  94 SER   95  95 LEU
       96  96 SER   97  97 THR   98  98 LYS   99  99 THR  100 100 SER
      101 101 SER  102 102 ILE  103 103 ALA  104 104 SER  105 105 ALA
      106 106 MET  107 107 SER  108 108 ASN  109 109 ALA  110 110 PHE
      111 111 LEU  112 112 GLN  113 113 THR  114 114 THR  115 115 GLY
      116 116 VAL  117 117 VAL  118 118 ASN  119 119 GLN  120 120 PRO
      121 121 PHE  122 122 ILE  123 123 ASN  124 124 GLU  125 125 ILE
      126 126 THR  127 127 GLN  128 128 LEU  129 129 VAL  130 130 SER
      131 131 MET  132 132 PHE  133 133 ALA  134 134 GLN  135 135 ALA
      136 136 GLY  137 137 MET  138 138 ASN  139 139 ASP  140 140 VAL
      141 141 SER  142 142 ALA  143 143 GLY  144 144 ASN  145 145 SER
      146 146 GLY  147 147 ARG  148 148 GLY  149 149 GLN  150 150 GLY
      151 151 GLY  152 152 TYR  153 153 GLY  154 154 GLN  155 155 GLY
      156 156 SER  157 157 GLY  158 158 GLY  159 159 ASN  160 160 ALA
      161 161 ALA  162 162 ALA  163 163 ALA  164 164 ALA  165 165 ALA
      166 166 ALA  167 167 ALA  168 168 ALA  169 169 ALA  170 170 ALA
      171 171 ALA  172 172 ALA  173 173 ALA  174 174 ALA  175 175 GLY
      176 176 GLN  177 177 GLY  178 178 GLY  179 179 GLN  180 180 GLY
      181 181 GLY  182 182 TYR  183 183 GLY  184 184 ARG  185 185 GLN
      186 186 SER  187 187 GLN  188 188 GLY  189 189 ALA  190 190 GLY
      191 191 SER  192 192 ALA  193 193 ALA  194 194 ALA  195 195 ALA
      196 196 ALA  197 197 ALA  198 198 ALA  199 199 ALA  200 200 ALA
      201 201 ALA  202 202 ALA  203 203 ALA  204 204 ALA  205 205 ALA
      206 206 GLY  207 207 SER  208 208 GLY  209 209 GLN  210 210 GLY
      211 211 GLY  212 212 TYR  213 213 GLY  214 214 GLY  215 215 GLN
      216 216 GLY  217 217 GLN  218 218 GLY  219 219 GLY  220 220 TYR
      221 221 GLY  222 222 GLN  223 223 SER  224 224 GLY  225 225 ASN
      226 226 SER  227 227 VAL  228 228 THR  229 229 SER  230 230 GLY
      231 231 GLY  232 232 TYR  233 233 GLY  234 234 TYR  235 235 GLY
      236 236 THR  237 237 SER  238 238 ALA  239 239 ALA  240 240 ALA
      241 241 GLY  242 242 ALA  243 243 GLY  244 244 VAL  245 245 ALA
      246 246 ALA  247 247 GLY  248 248 SER  249 249 TYR  250 250 ALA
      251 251 GLY  252 252 ALA  253 253 VAL  254 254 ASN  255 255 ARG
      256 256 LEU  257 257 SER  258 258 SER  259 259 ALA  260 260 GLU
      261 261 ALA  262 262 ALA  263 263 SER  264 264 ARG  265 265 VAL
      266 266 SER  267 267 SER  268 268 ASN  269 269 ILE  270 270 ALA
      271 271 ALA  272 272 ILE  273 273 ALA  274 274 SER  275 275 GLY
      276 276 GLY  277 277 ALA  278 278 SER  279 279 ALA  280 280 LEU
      281 281 PRO  282 282 SER  283 283 VAL  284 284 ILE  285 285 SER
      286 286 ASN  287 287 ILE  288 288 TYR  289 289 SER  290 290 GLY
      291 291 VAL  292 292 VAL  293 293 ALA  294 294 SER  295 295 GLY
      296 296 VAL  297 297 SER  298 298 SER  299 299 ASN  300 300 GLU
      301 301 ALA  302 302 LEU  303 303 ILE  304 304 GLN  305 305 ALA
      306 306 LEU  307 307 LEU  308 308 GLU  309 309 LEU  310 310 LEU
      311 311 SER  312 312 ALA  313 313 LEU  314 314 VAL  315 315 HIS
      316 316 VAL  317 317 LEU  318 318 SER  319 319 SER  320 320 ALA
      321 321 SER  322 322 ILE  323 323 GLY  324 324 ASN  325 325 VAL
      326 326 SER  327 327 SER  328 328 VAL  329 329 GLY  330 330 VAL
      331 331 ASP  332 332 SER  333 333 THR  334 334 LEU  335 335 ASN
      336 336 VAL  337 337 VAL  338 338 GLN  339 339 ASP  340 340 SER
      341 341 VAL  342 342 GLY  343 343 GLN  344 344 TYR  345 345 VAL
      346 346 GLY

   stop_

   _Sequence_homology_query_date                .
   _Sequence_homology_query_revised_last_date   .

save_


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

save_natural_source
   _Saveframe_category   natural_source


   loop_
      _Mol_label
      _Organism_name_common
      _NCBI_taxonomy_ID
      _Superkingdom
      _Kingdom
      _Genus
      _Species

      $NT-2Rep-CT . . . . . .

   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

      $NT-2Rep-CT 'recombinant technology' . Escherichia coli . pT7

   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

      $NT-2Rep-CT         0.4   mM     '[U-99% 13C; U-99% 15N]'
       H2O               95    '% v/v' 'natural abundance'
       D2O                5    '% v/v'  [U-2H]
      'sodium chloride'  20     mM     'natural abundance'
      'sodium phosphate' 20     mM     'natural abundance'
      'sodium azide'      0.02 '% w/v' 'natural abundance'

   stop_

save_


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

save_VNMRJ
   _Saveframe_category   software

   _Name                 VNMRJ
   _Version              2.1b

   loop_
      _Vendor
      _Address
      _Electronic_address

      Varian . .

   stop_

   loop_
      _Task

      collection

   stop_

   _Details              .

save_


save_CARA
   _Saveframe_category   software

   _Name                 CARA
   _Version              1.9.0

   loop_
      _Vendor
      _Address
      _Electronic_address

      'Keller and Wuthrich' . .

   stop_

   loop_
      _Task

      'chemical shift assignment'

   stop_

   _Details              .

save_


save_TOPSPIN
   _Saveframe_category   software

   _Name                 TOPSPIN
   _Version              3.2

   loop_
      _Vendor
      _Address
      _Electronic_address

      'Bruker Biospin' . .

   stop_

   loop_
      _Task

      collection
      processing

   stop_

   _Details              .

save_


save_NMRPipe
   _Saveframe_category   software

   _Name                 NMRPipe
   _Version              .

   loop_
      _Vendor
      _Address
      _Electronic_address

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

   stop_

   loop_
      _Task

      processing

   stop_

   _Details              .

save_


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

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

save_spectrometer_1
   _Saveframe_category   NMR_spectrometer

   _Manufacturer         Varian
   _Model                INOVA
   _Field_strength       600
   _Details              .

save_


save_spectrometer_2
   _Saveframe_category   NMR_spectrometer

   _Manufacturer         Bruker
   _Model                Avance
   _Field_strength       800
   _Details              .

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_CBCA(CO)NH_2
   _Saveframe_category   NMR_applied_experiment

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

save_


save_3D_HNCO_3
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D HNCO'
   _Sample_label        $sample_1

save_


save_3D_HNCA_4
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D HNCA'
   _Sample_label        $sample_1

save_


save_3D_1H-15N_NOESY_5
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D 1H-15N NOESY'
   _Sample_label        $sample_1

save_


save_3D_HN(CA)CO_6
   _Saveframe_category   NMR_applied_experiment

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

save_


save_3D_HN(CA)NH_7
   _Saveframe_category   NMR_applied_experiment

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

save_


save_3D_HN(CO)N_8
   _Saveframe_category   NMR_applied_experiment

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

save_


save_3D_HNHA_9
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name     '3D HNHA'
   _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'   0.0585 . M
       pH                6.7    . 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 4.77 internal indirect . . . 0.251449530
      water H  1 protons ppm 4.77 internal direct   . . . 1
      water N 15 protons ppm 4.77 internal indirect . . . 0.101329118

   stop_

save_


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

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

   _Details                          .

   loop_
      _Experiment_label

      '2D 1H-15N HSQC'
      '3D CBCA(CO)NH'
      '3D HNCO'
      '3D HNCA'
      '3D 1H-15N NOESY'
      '3D HN(CA)CO'
      '3D HN(CA)NH'
      '3D HN(CO)N'
      '3D HNHA'

   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       'Dimer of NT-2Rep-CT'
   _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

        1 141 141 SER H  H   8.360 0.020 1
        2 141 141 SER C  C 174.650 0.3   1
        3 141 141 SER CA C  58.960 0.3   1
        4 141 141 SER CB C  63.800 0.3   1
        5 141 141 SER N  N 118.400 0.3   1
        6 142 142 ALA H  H   8.190 0.020 1
        7 142 142 ALA C  C 178.280 0.3   1
        8 142 142 ALA CA C  52.970 0.3   1
        9 142 142 ALA CB C  19.080 0.3   1
       10 142 142 ALA N  N 125.400 0.3   1
       11 143 143 GLY H  H   8.250 0.020 1
       12 143 143 GLY C  C 174.210 0.3   1
       13 143 143 GLY CA C  45.590 0.3   1
       14 143 143 GLY N  N 107.240 0.3   1
       15 144 144 ASN H  H   8.260 0.020 1
       16 144 144 ASN C  C 175.510 0.3   1
       17 144 144 ASN CA C  53.280 0.3   1
       18 144 144 ASN CB C  38.910 0.3   1
       19 144 144 ASN N  N 118.700 0.3   1
       20 145 145 SER H  H   8.340 0.020 1
       21 145 145 SER C  C 175.080 0.3   1
       22 145 145 SER CA C  58.990 0.3   1
       23 145 145 SER CB C  63.830 0.3   1
       24 145 145 SER N  N 115.930 0.3   1
       25 146 146 GLY H  H   8.430 0.020 1
       26 146 146 GLY C  C 174.240 0.3   1
       27 146 146 GLY CA C  45.480 0.3   1
       28 146 146 GLY N  N 110.470 0.3   1
       29 147 147 ARG H  H   8.140 0.020 1
       30 147 147 ARG C  C 176.880 0.3   1
       31 147 147 ARG CA C  56.370 0.3   1
       32 147 147 ARG CB C  30.780 0.3   1
       33 147 147 ARG N  N 120.230 0.3   1
       34 148 148 GLY H  H   8.480 0.020 1
       35 148 148 GLY C  C 174.200 0.3   1
       36 148 148 GLY CA C  45.480 0.3   1
       37 148 148 GLY N  N 109.800 0.3   1
       38 149 149 GLN H  H   8.280 0.020 1
       39 149 149 GLN C  C 176.490 0.3   1
       40 149 149 GLN CA C  56.030 0.3   1
       41 149 149 GLN CB C  29.250 0.3   1
       42 149 149 GLN N  N 119.680 0.3   1
       43 150 150 GLY H  H   8.480 0.020 1
       44 150 150 GLY C  C 174.380 0.3   1
       45 150 150 GLY CA C  45.410 0.3   1
       46 150 150 GLY N  N 109.850 0.3   1
       47 151 151 GLY H  H   8.170 0.020 1
       48 151 151 GLY C  C 173.950 0.3   1
       49 151 151 GLY CA C  45.170 0.3   1
       50 151 151 GLY N  N 108.390 0.3   1
       51 152 152 TYR H  H   8.120 0.020 1
       52 152 152 TYR C  C 176.530 0.3   1
       53 152 152 TYR CA C  58.300 0.3   1
       54 152 152 TYR CB C  38.720 0.3   1
       55 152 152 TYR N  N 119.960 0.3   1
       56 153 153 GLY H  H   8.410 0.020 1
       57 153 153 GLY C  C 174.190 0.3   1
       58 153 153 GLY CA C  45.410 0.3   1
       59 153 153 GLY N  N 110.760 0.3   1
       60 154 154 GLN H  H   8.260 0.020 1
       61 154 154 GLN C  C 176.530 0.3   1
       62 154 154 GLN CA C  56.040 0.3   1
       63 154 154 GLN CB C  29.320 0.3   1
       64 154 154 GLN N  N 119.790 0.3   1
       65 155 155 GLY H  H   8.520 0.020 1
       66 155 155 GLY C  C 174.270 0.3   1
       67 155 155 GLY CA C  45.350 0.3   1
       68 155 155 GLY N  N 110.170 0.3   1
       69 156 156 SER H  H   8.310 0.020 1
       70 156 156 SER C  C 175.170 0.3   1
       71 156 156 SER CA C  58.640 0.3   1
       72 156 156 SER CB C  63.900 0.3   1
       73 156 156 SER N  N 115.690 0.3   1
       74 157 157 GLY H  H   8.550 0.020 1
       75 157 157 GLY C  C 174.830 0.3   1
       76 157 157 GLY CA C  45.480 0.3   1
       77 157 157 GLY N  N 110.760 0.3   1
       78 158 158 GLY H  H   8.290 0.020 1
       79 158 158 GLY C  C 174.190 0.3   1
       80 158 158 GLY CA C  45.410 0.3   1
       81 158 158 GLY N  N 108.700 0.3   1
       82 159 159 ASN H  H   8.330 0.020 1
       83 159 159 ASN C  C 175.820 0.3   1
       84 159 159 ASN CA C  53.670 0.3   1
       85 159 159 ASN CB C  38.650 0.3   1
       86 159 159 ASN N  N 119.200 0.3   1
       87 160 160 ALA H  H   8.440 0.020 1
       88 160 160 ALA C  C 179.150 0.3   1
       89 160 160 ALA CA C  54.360 0.3   1
       90 160 160 ALA CB C  18.550 0.3   1
       91 160 160 ALA N  N 125.020 0.3   1
       92 161 161 ALA H  H   8.250 0.020 1
       93 161 161 ALA C  C 179.500 0.3   1
       94 161 161 ALA CA C  54.260 0.3   1
       95 161 161 ALA CB C  18.290 0.3   1
       96 161 161 ALA N  N 122.350 0.3   1
       97 162 162 ALA H  H   8.080 0.020 1
       98 162 162 ALA C  C 179.650 0.3   1
       99 162 162 ALA CA C  54.150 0.3   1
      100 162 162 ALA CB C  18.250 0.3   1
      101 162 162 ALA N  N 122.580 0.3   1
      102 163 163 ALA H  H   8.110 0.020 1
      103 163 163 ALA C  C 179.680 0.3   1
      104 163 163 ALA CA C  54.260 0.3   1
      105 163 163 ALA CB C  18.160 0.3   1
      106 163 163 ALA N  N 122.480 0.3   1
      107 164 164 ALA H  H   8.070 0.020 1
      108 164 164 ALA C  C 179.590 0.3   1
      109 164 164 ALA CA C  54.220 0.3   1
      110 164 164 ALA CB C  18.230 0.3   1
      111 164 164 ALA N  N 122.340 0.3   1
      112 165 165 ALA H  H   8.120 0.020 1
      113 165 165 ALA C  C 179.820 0.3   1
      114 165 165 ALA CA C  54.200 0.3   1
      115 165 165 ALA CB C  18.170 0.3   1
      116 165 165 ALA N  N 122.440 0.3   1
      117 166 166 ALA C  C 179.882 0.3   1
      118 166 166 ALA CA C  54.246 0.3   1
      119 166 166 ALA CB C  18.183 0.3   1
      120 167 167 ALA H  H   8.080 0.020 1
      121 167 167 ALA C  C 179.920 0.3   1
      122 167 167 ALA CA C  54.240 0.3   1
      123 167 167 ALA CB C  18.150 0.3   1
      124 167 167 ALA N  N 122.400 0.3   1
      125 168 168 ALA H  H   8.060 0.020 1
      126 168 168 ALA C  C 179.700 0.3   1
      127 168 168 ALA CA C  54.230 0.3   1
      128 168 168 ALA CB C  18.190 0.3   1
      129 168 168 ALA N  N 122.200 0.3   1
      130 169 169 ALA H  H   8.010 0.020 1
      131 169 169 ALA C  C 179.580 0.3   1
      132 169 169 ALA CA C  54.090 0.3   1
      133 169 169 ALA CB C  18.230 0.3   1
      134 169 169 ALA N  N 121.980 0.3   1
      135 170 170 ALA H  H   7.980 0.020 1
      136 170 170 ALA C  C 179.370 0.3   1
      137 170 170 ALA CA C  53.960 0.3   1
      138 170 170 ALA CB C  18.320 0.3   1
      139 170 170 ALA N  N 121.740 0.3   1
      140 171 171 ALA H  H   7.930 0.020 1
      141 171 171 ALA C  C 179.120 0.3   1
      142 171 171 ALA CB C  18.360 0.3   1
      143 171 171 ALA N  N 121.490 0.3   1
      144 172 172 ALA H  H   7.890 0.020 1
      145 172 172 ALA C  C 178.820 0.3   1
      146 172 172 ALA CA C  53.560 0.3   1
      147 172 172 ALA CB C  18.620 0.3   1
      148 172 172 ALA N  N 121.250 0.3   1
      149 173 173 ALA H  H   7.840 0.020 1
      150 173 173 ALA C  C 178.170 0.3   1
      151 173 173 ALA CA C  53.180 0.3   1
      152 173 173 ALA CB C  18.610 0.3   1
      153 173 173 ALA N  N 121.270 0.3   1
      154 174 174 ALA H  H   7.850 0.020 1
      155 174 174 ALA C  C 178.500 0.3   1
      156 174 174 ALA CA C  53.110 0.3   1
      157 174 174 ALA CB C  18.880 0.3   1
      158 174 174 ALA N  N 121.380 0.3   1
      159 175 175 GLY H  H   8.100 0.020 1
      160 175 175 GLY C  C 174.480 0.3   1
      161 175 175 GLY CA C  45.550 0.3   1
      162 175 175 GLY N  N 106.900 0.3   1
      163 176 176 GLN H  H   8.140 0.020 1
      164 176 176 GLN C  C 176.590 0.3   1
      165 176 176 GLN CA C  56.000 0.3   1
      166 176 176 GLN CB C  29.250 0.3   1
      167 176 176 GLN N  N 119.470 0.3   1
      168 177 177 GLY H  H   8.470 0.020 1
      169 177 177 GLY C  C 174.710 0.3   1
      170 177 177 GLY CA C  45.520 0.3   1
      171 177 177 GLY N  N 109.510 0.3   1
      172 178 178 GLY H  H   8.270 0.020 1
      173 178 178 GLY C  C 174.400 0.3   1
      174 178 178 GLY CA C  45.410 0.3   1
      175 178 178 GLY N  N 108.540 0.3   1
      176 179 179 GLN H  H   8.350 0.020 1
      177 179 179 GLN C  C 176.570 0.3   1
      178 179 179 GLN CA C  56.100 0.3   1
      179 179 179 GLN CB C  29.250 0.3   1
      180 179 179 GLN N  N 119.770 0.3   1
      181 180 180 GLY H  H   8.480 0.020 1
      182 180 180 GLY C  C 174.440 0.3   1
      183 180 180 GLY CA C  45.450 0.3   1
      184 180 180 GLY N  N 109.790 0.3   1
      185 181 181 GLY H  H   8.160 0.020 1
      186 181 181 GLY C  C 173.940 0.3   1
      187 181 181 GLY CA C  45.170 0.3   1
      188 181 181 GLY N  N 108.390 0.3   1
      189 182 182 TYR H  H   8.140 0.020 1
      190 182 182 TYR C  C 176.490 0.3   1
      191 182 182 TYR CA C  58.220 0.3   1
      192 182 182 TYR CB C  38.590 0.3   1
      193 182 182 TYR N  N 120.020 0.3   1
      194 183 183 GLY H  H   8.380 0.020 1
      195 183 183 GLY C  C 174.140 0.3   1
      196 183 183 GLY CA C  45.450 0.3   1
      197 183 183 GLY N  N 110.550 0.3   1
      198 184 184 ARG H  H   8.130 0.020 1
      199 184 184 ARG C  C 176.460 0.3   1
      200 184 184 ARG CA C  56.310 0.3   1
      201 184 184 ARG CB C  30.560 0.3   1
      202 184 184 ARG N  N 120.380 0.3   1
      203 185 185 GLN H  H   8.490 0.020 1
      204 185 185 GLN C  C 176.080 0.3   1
      205 185 185 GLN CA C  56.100 0.3   1
      206 185 185 GLN CB C  29.320 0.3   1
      207 185 185 GLN N  N 121.190 0.3   1
      208 186 186 SER H  H   8.350 0.020 1
      209 186 186 SER C  C 174.500 0.3   1
      210 186 186 SER CA C  58.500 0.3   1
      211 186 186 SER CB C  63.760 0.3   1
      212 186 186 SER N  N 116.970 0.3   1
      213 187 187 GLN H  H   8.440 0.020 1
      214 187 187 GLN C  C 176.370 0.3   1
      215 187 187 GLN CA C  56.070 0.3   1
      216 187 187 GLN CB C  29.390 0.3   1
      217 187 187 GLN N  N 121.990 0.3   1
      218 188 188 GLY H  H   8.420 0.020 1
      219 188 188 GLY C  C 173.980 0.3   1
      220 188 188 GLY CA C  45.310 0.3   1
      221 188 188 GLY N  N 109.800 0.3   1
      222 189 189 ALA H  H   8.300 0.020 1
      223 189 189 ALA C  C 178.550 0.3   1
      224 189 189 ALA CA C  53.000 0.3   1
      225 189 189 ALA CB C  19.140 0.3   1
      226 189 189 ALA N  N 124.090 0.3   1
      227 190 190 GLY H  H   8.500 0.020 1
      228 190 190 GLY C  C 174.710 0.3   1
      229 190 190 GLY CA C  45.480 0.3   1
      230 190 190 GLY N  N 108.200 0.3   1
      231 191 191 SER H  H   8.180 0.020 1
      232 191 191 SER C  C 175.380 0.3   1
      233 191 191 SER CA C  59.100 0.3   1
      234 191 191 SER CB C  63.870 0.3   1
      235 191 191 SER N  N 116.130 0.3   1
      236 192 192 ALA H  H   8.520 0.020 1
      237 192 192 ALA C  C 179.280 0.3   1
      238 192 192 ALA CA C  54.120 0.3   1
      239 192 192 ALA CB C  18.360 0.3   1
      240 192 192 ALA N  N 126.440 0.3   1
      241 193 193 ALA H  H   8.260 0.020 1
      242 193 193 ALA C  C 179.440 0.3   1
      243 193 193 ALA CA C  54.050 0.3   1
      244 193 193 ALA CB C  18.290 0.3   1
      245 193 193 ALA N  N 122.370 0.3   1
      246 194 194 ALA H  H   8.090 0.020 1
      247 194 194 ALA C  C 179.590 0.3   1
      248 194 194 ALA CA C  54.140 0.3   1
      249 194 194 ALA CB C  18.111 0.3   1
      250 194 194 ALA N  N 122.610 0.3   1
      251 195 195 ALA H  H   8.110 0.020 1
      252 195 195 ALA C  C 179.670 0.3   1
      253 195 195 ALA CB C  18.230 0.3   1
      254 195 195 ALA N  N 122.570 0.3   1
      255 196 196 ALA H  H   8.110 0.020 1
      256 196 196 ALA C  C 179.840 0.3   1
      257 196 196 ALA CA C  54.220 0.3   1
      258 196 196 ALA CB C  18.010 0.3   1
      259 196 196 ALA N  N 122.400 0.3   1
      260 197 197 ALA H  H   8.080 0.020 1
      261 197 197 ALA C  C 179.910 0.3   1
      262 197 197 ALA CA C  54.240 0.3   1
      263 197 197 ALA CB C  18.160 0.3   1
      264 197 197 ALA N  N 122.360 0.3   1
      265 198 198 ALA H  H   8.070 0.020 1
      266 198 198 ALA C  C 179.610 0.3   1
      267 198 198 ALA CA C  54.240 0.3   1
      268 198 198 ALA CB C  18.100 0.3   1
      269 198 198 ALA N  N 122.260 0.3   1
      270 199 199 ALA H  H   8.040 0.020 1
      271 199 199 ALA C  C 179.540 0.3   1
      272 199 199 ALA CA C  54.150 0.3   1
      273 199 199 ALA CB C  18.160 0.3   1
      274 199 199 ALA N  N 122.180 0.3   1
      275 200 200 ALA H  H   8.020 0.020 1
      276 200 200 ALA C  C 179.370 0.3   1
      277 200 200 ALA CA C  54.080 0.3   1
      278 200 200 ALA CB C  18.230 0.3   1
      279 200 200 ALA N  N 121.990 0.3   1
      280 201 201 ALA H  H   7.990 0.020 1
      281 201 201 ALA C  C 179.130 0.3   1
      282 201 201 ALA CA C  53.940 0.3   1
      283 201 201 ALA CB C  18.360 0.3   1
      284 201 201 ALA N  N 121.860 0.3   1
      285 202 202 ALA H  H   7.940 0.020 1
      286 202 202 ALA C  C 178.860 0.3   1
      287 202 202 ALA CA C  53.730 0.3   1
      288 202 202 ALA CB C  18.460 0.3   1
      289 202 202 ALA N  N 121.640 0.3   1
      290 203 203 ALA H  H   7.910 0.020 1
      291 203 203 ALA C  C 178.510 0.3   1
      292 203 203 ALA CA C  53.420 0.3   1
      293 203 203 ALA CB C  18.610 0.3   1
      294 203 203 ALA N  N 121.580 0.3   1
      295 204 204 ALA H  H   7.890 0.020 1
      296 204 204 ALA C  C 178.050 0.3   1
      297 204 204 ALA CA C  53.060 0.3   1
      298 204 204 ALA CB C  18.750 0.3   1
      299 204 204 ALA N  N 121.670 0.3   1
      300 205 205 ALA H  H   7.940 0.020 1
      301 205 205 ALA C  C 178.480 0.3   1
      302 205 205 ALA CA C  53.040 0.3   1
      303 205 205 ALA CB C  18.880 0.3   1
      304 205 205 ALA N  N 121.880 0.3   1
      305 206 206 GLY H  H   8.160 0.020 1
      306 206 206 GLY C  C 174.420 0.3   1
      307 206 206 GLY CA C  45.460 0.3   1
      308 206 206 GLY N  N 107.350 0.3   1
      309 207 207 SER H  H   8.160 0.020 1
      310 207 207 SER C  C 175.200 0.3   1
      311 207 207 SER CA C  58.640 0.3   1
      312 207 207 SER CB C  63.940 0.3   1
      313 207 207 SER N  N 115.430 0.3   1
      314 208 208 GLY H  H   8.470 0.020 1
      315 208 208 GLY C  C 174.280 0.3   1
      316 208 208 GLY CA C  45.480 0.3   1
      317 208 208 GLY N  N 110.730 0.3   1
      318 209 209 GLN H  H   8.260 0.020 1
      319 209 209 GLN C  C 176.520 0.3   1
      320 209 209 GLN CA C  56.000 0.3   1
      321 209 209 GLN CB C  29.390 0.3   1
      322 209 209 GLN N  N 119.680 0.3   1
      323 210 210 GLY H  H   8.470 0.020 1
      324 210 210 GLY C  C 174.410 0.3   1
      325 210 210 GLY CA C  45.410 0.3   1
      326 210 210 GLY N  N 109.800 0.3   1
      327 211 211 GLY H  H   8.180 0.020 1
      328 211 211 GLY C  C 173.960 0.3   1
      329 211 211 GLY CA C  45.170 0.3   1
      330 211 211 GLY N  N 108.410 0.3   1
      331 212 212 TYR H  H   8.130 0.020 1
      332 212 212 TYR C  C 176.490 0.3   1
      333 212 212 TYR CA C  58.190 0.3   1
      334 212 212 TYR CB C  38.720 0.3   1
      335 212 212 TYR N  N 120.140 0.3   1
      336 213 213 GLY H  H   8.410 0.020 1
      337 213 213 GLY C  C 174.610 0.3   1
      338 213 213 GLY CA C  45.410 0.3   1
      339 213 213 GLY N  N 111.080 0.3   1
      340 214 214 GLY H  H   7.940 0.020 1
      341 214 214 GLY C  C 174.180 0.3   1
      342 214 214 GLY CA C  45.310 0.3   1
      343 214 214 GLY N  N 108.240 0.3   1
      344 215 215 GLN H  H   8.310 0.020 1
      345 215 215 GLN C  C 176.570 0.3   1
      346 215 215 GLN CA C  56.070 0.3   1
      347 215 215 GLN CB C  29.320 0.3   1
      348 215 215 GLN N  N 119.580 0.3   1
      349 216 216 GLY H  H   8.480 0.020 1
      350 216 216 GLY C  C 174.170 0.3   1
      351 216 216 GLY CA C  45.390 0.3   1
      352 216 216 GLY N  N 109.920 0.3   1
      353 217 217 GLN H  H   8.290 0.020 1
      354 217 217 GLN C  C 176.500 0.3   1
      355 217 217 GLN CA C  55.960 0.3   1
      356 217 217 GLN CB C  29.180 0.3   1
      357 217 217 GLN N  N 119.730 0.3   1
      358 218 218 GLY H  H   8.470 0.020 1
      359 218 218 GLY C  C 174.180 0.3   1
      360 218 218 GLY CA C  45.240 0.3   1
      361 218 218 GLY N  N 109.830 0.3   1
      362 219 219 GLY H  H   8.170 0.020 1
      363 219 219 GLY C  C 173.930 0.3   1
      364 219 219 GLY CA C  45.210 0.3   1
      365 219 219 GLY N  N 108.400 0.3   1
      366 220 220 TYR H  H   8.120 0.020 1
      367 220 220 TYR C  C 176.510 0.3   1
      368 220 220 TYR CA C  58.250 0.3   1
      369 220 220 TYR CB C  38.650 0.3   1
      370 220 220 TYR N  N 120.040 0.3   1
      371 221 221 GLY H  H   8.400 0.020 1
      372 221 221 GLY C  C 174.100 0.3   1
      373 221 221 GLY CA C  45.380 0.3   1
      374 221 221 GLY N  N 110.810 0.3   1
      375 222 222 GLN H  H   8.170 0.020 1
      376 222 222 GLN C  C 176.090 0.3   1
      377 222 222 GLN CA C  55.820 0.3   1
      378 222 222 GLN CB C  29.450 0.3   1
      379 222 222 GLN N  N 119.730 0.3   1
      380 223 223 SER H  H   8.400 0.020 1
      381 223 223 SER C  C 174.920 0.3   1
      382 223 223 SER CA C  58.540 0.3   1
      383 223 223 SER CB C  63.900 0.3   1
      384 223 223 SER N  N 116.670 0.3   1
      385 224 224 GLY H  H   8.400 0.020 1
      386 224 224 GLY C  C 173.800 0.3   1
      387 224 224 GLY CA C  45.350 0.3   1
      388 224 224 GLY N  N 110.600 0.3   1
      389 225 225 ASN H  H   8.280 0.020 1
      390 225 225 ASN C  C 175.180 0.3   1
      391 225 225 ASN CA C  53.400 0.3   1
      392 225 225 ASN CB C  38.980 0.3   1
      393 225 225 ASN N  N 118.610 0.3   1
      394 226 226 SER H  H   8.300 0.020 1
      395 226 226 SER C  C 174.480 0.3   1
      396 226 226 SER CA C  58.490 0.3   1
      397 226 226 SER CB C  63.840 0.3   1
      398 226 226 SER N  N 116.300 0.3   1
      399 227 227 VAL H  H   8.190 0.020 1
      400 227 227 VAL C  C 176.510 0.3   1
      401 227 227 VAL CA C  62.610 0.3   1
      402 227 227 VAL CB C  32.520 0.3   1
      403 227 227 VAL N  N 121.550 0.3   1
      404 228 228 THR H  H   8.180 0.020 1
      405 228 228 THR C  C 174.600 0.3   1
      406 228 228 THR CA C  61.780 0.3   1
      407 228 228 THR CB C  69.710 0.3   1
      408 228 228 THR N  N 116.620 0.3   1
      409 229 229 SER H  H   8.240 0.020 1
      410 229 229 SER C  C 174.840 0.3   1
      411 229 229 SER CA C  58.500 0.3   1
      412 229 229 SER CB C  63.870 0.3   1
      413 229 229 SER N  N 117.810 0.3   1
      414 230 230 GLY H  H   8.320 0.020 1
      415 230 230 GLY C  C 174.280 0.3   1
      416 230 230 GLY CA C  45.410 0.3   1
      417 230 230 GLY N  N 110.540 0.3   1
      418 231 231 GLY H  H   8.150 0.020 1
      419 231 231 GLY C  C 173.730 0.3   1
      420 231 231 GLY CA C  45.220 0.3   1
      421 231 231 GLY N  N 108.350 0.3   1
      422 232 232 TYR H  H   8.110 0.020 1
      423 232 232 TYR C  C 176.230 0.3   1
      424 232 232 TYR CA C  58.170 0.3   1
      425 232 232 TYR CB C  38.720 0.3   1
      426 232 232 TYR N  N 119.940 0.3   1
      427 233 233 GLY H  H   8.290 0.020 1
      428 233 233 GLY C  C 173.770 0.3   1
      429 233 233 GLY CA C  45.220 0.3   1
      430 233 233 GLY N  N 110.430 0.3   1

   stop_

save_