data_19144

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

save_entry_information
   _Saveframe_category      entry_information

   _Entry_title            
;
A structural model of CAP mutant (T127L and S128I) in the apo state
;
   _BMRB_accession_number   19144
   _BMRB_flat_file_name     bmr19144.str
   _Entry_type              original
   _Submission_date         2013-04-05
   _Accession_date          2013-04-05
   _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 Tzeng     Shiou-Ru .  . 
      2 Kalodimos C.       G. . 

   stop_

   loop_
      _Saveframe_category_type
      _Saveframe_category_type_count

      assigned_chemical_shifts 1 

   stop_

   loop_
      _Data_type
      _Data_type_count

      "13C chemical shifts" 217 
      "15N chemical shifts" 122 

   stop_

   loop_
      _Revision_date
      _Revision_keyword
      _Revision_author
      _Revision_detail

      2013-07-09 update   BMRB   'update entry citation' 
      2013-05-30 original author 'original release'      

   stop_

   loop_
      _Related_BMRB_accession_number
      _Relationship

      19145 'CAP mutant (T127L and S128I) in cGMP-bound state' 

   stop_

save_


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

save_entry_citation
   _Saveframe_category           entry_citation

   _Citation_full                .
   _Citation_title              'Allosteric inhibition through suppression of transient conformational states.'
   _Citation_status              published
   _Citation_type                journal
   _CAS_abstract_code            .
   _MEDLINE_UI_code              .
   _PubMed_ID                    23644478

   loop_
      _Author_ordinal
      _Author_family_name
      _Author_given_name
      _Author_middle_initials
      _Author_family_title

      1 Tzeng     Shiou-Ru    .  . 
      2 Kalodimos Charalampos G. . 

   stop_

   _Journal_abbreviation        'Nat. Chem. Biol.'
   _Journal_name_full           'Nature chemical biology'
   _Journal_volume               9
   _Journal_issue                7
   _Journal_CSD                  .
   _Book_chapter_title           .
   _Book_volume                  .
   _Book_series                  .
   _Book_ISBN                    .
   _Conference_state_province    .
   _Conference_abstract_number   .
   _Page_first                   462
   _Page_last                    465
   _Year                         2013
   _Details                      .

save_


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

save_assembly
   _Saveframe_category         molecular_system

   _Mol_system_name           'CAP mutant (T127L and S128I) in the apo state'
   _Enzyme_commission_number   .

   loop_
      _Mol_system_component_name
      _Mol_label

      'CAMP RECEPTOR PROTEIN' $CAMP_RECEPTOR_PROTEIN 

   stop_

   _System_molecular_weight    23555.3638
   _System_physical_state      native
   _System_oligomer_state      ?
   _System_paramagnetic        no
   _System_thiol_state        'all free'
   _Database_query_date        .
   _Details                    .

save_


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

save_CAMP_RECEPTOR_PROTEIN
   _Saveframe_category                          monomeric_polymer

   _Mol_type                                    polymer
   _Mol_polymer_class                           protein
   _Name_common                                 CAMP_RECEPTOR_PROTEIN
   _Molecular_mass                              23555.3638
   _Mol_thiol_state                            'all free'
   _Details                                     .

   	##############################
   	#  Polymer residue sequence  #
   	##############################
   
      _Residue_count                               209
   _Mol_residue_sequence                       
;
VLGKPQTDPTLEWFLSHCHI
HKYPSKSTLIHQGEKAETLY
YIVKGSVAVLIKDEEGKEMI
LSYLNQGDFIGELGLFEEGQ
ERSAWVRAKTACEVAEISYK
KFRQLIQVNPDILMRLSAQM
ARRLQVLIEKVGNLAFLDVT
GRIAQTLLNLAKQPDAMTHP
DGMQIKITRQEIGQIVGCSR
ETVGRILKMLEDQNLISAHG
KTIVVYGTR
;

   loop_
      _Residue_seq_code
      _Residue_label

        1 VAL    2 LEU    3 GLY    4 LYS    5 PRO 
        6 GLN    7 THR    8 ASP    9 PRO   10 THR 
       11 LEU   12 GLU   13 TRP   14 PHE   15 LEU 
       16 SER   17 HIS   18 CYS   19 HIS   20 ILE 
       21 HIS   22 LYS   23 TYR   24 PRO   25 SER 
       26 LYS   27 SER   28 THR   29 LEU   30 ILE 
       31 HIS   32 GLN   33 GLY   34 GLU   35 LYS 
       36 ALA   37 GLU   38 THR   39 LEU   40 TYR 
       41 TYR   42 ILE   43 VAL   44 LYS   45 GLY 
       46 SER   47 VAL   48 ALA   49 VAL   50 LEU 
       51 ILE   52 LYS   53 ASP   54 GLU   55 GLU 
       56 GLY   57 LYS   58 GLU   59 MET   60 ILE 
       61 LEU   62 SER   63 TYR   64 LEU   65 ASN 
       66 GLN   67 GLY   68 ASP   69 PHE   70 ILE 
       71 GLY   72 GLU   73 LEU   74 GLY   75 LEU 
       76 PHE   77 GLU   78 GLU   79 GLY   80 GLN 
       81 GLU   82 ARG   83 SER   84 ALA   85 TRP 
       86 VAL   87 ARG   88 ALA   89 LYS   90 THR 
       91 ALA   92 CYS   93 GLU   94 VAL   95 ALA 
       96 GLU   97 ILE   98 SER   99 TYR  100 LYS 
      101 LYS  102 PHE  103 ARG  104 GLN  105 LEU 
      106 ILE  107 GLN  108 VAL  109 ASN  110 PRO 
      111 ASP  112 ILE  113 LEU  114 MET  115 ARG 
      116 LEU  117 SER  118 ALA  119 GLN  120 MET 
      121 ALA  122 ARG  123 ARG  124 LEU  125 GLN 
      126 VAL  127 LEU  128 ILE  129 GLU  130 LYS 
      131 VAL  132 GLY  133 ASN  134 LEU  135 ALA 
      136 PHE  137 LEU  138 ASP  139 VAL  140 THR 
      141 GLY  142 ARG  143 ILE  144 ALA  145 GLN 
      146 THR  147 LEU  148 LEU  149 ASN  150 LEU 
      151 ALA  152 LYS  153 GLN  154 PRO  155 ASP 
      156 ALA  157 MET  158 THR  159 HIS  160 PRO 
      161 ASP  162 GLY  163 MET  164 GLN  165 ILE 
      166 LYS  167 ILE  168 THR  169 ARG  170 GLN 
      171 GLU  172 ILE  173 GLY  174 GLN  175 ILE 
      176 VAL  177 GLY  178 CYS  179 SER  180 ARG 
      181 GLU  182 THR  183 VAL  184 GLY  185 ARG 
      186 ILE  187 LEU  188 LYS  189 MET  190 LEU 
      191 GLU  192 ASP  193 GLN  194 ASN  195 LEU 
      196 ILE  197 SER  198 ALA  199 HIS  200 GLY 
      201 LYS  202 THR  203 ILE  204 VAL  205 VAL 
      206 TYR  207 GLY  208 THR  209 ARG 

   stop_

   _Sequence_homology_query_date                .
   _Sequence_homology_query_revised_last_date   2015-10-14

   loop_
      _Database_name
      _Database_accession_code
      _Database_entry_mol_name
      _Sequence_query_to_submitted_percentage
      _Sequence_subject_length
      _Sequence_identity
      _Sequence_positive
      _Sequence_homology_expectation_value

      BMRB     19145  CAMP_RECEPTOR_PROTEIN                                                                                                            100.00 209 100.00 100.00 1.20e-151 
      BMRB      4388 "Cyclic AMP Receptor Protein"                                                                                                     100.00 209  99.04  99.04 7.99e-150 
      PDB  1CGP       "Catabolite Gene Activator Protein (Cap)DNA COMPLEX + Adenosine-3',5'-Cyclic-Monophosphate"                                        98.09 205  99.02  99.02 2.80e-146 
      PDB  1G6N       "2.1 Angstrom Structure Of Cap-Camp"                                                                                              100.00 210  99.04  99.04 6.23e-150 
      PDB  1HW5       "The CapCRP VARIANT T127LS128A"                                                                                                   100.00 210  99.52  99.52 6.84e-151 
      PDB  1I5Z       "Structure Of Crp-Camp At 1.9 A"                                                                                                  100.00 209  99.04  99.04 7.99e-150 
      PDB  1I6X       "Structure Of A Star Mutant Crp-Camp At 2.2 A"                                                                                    100.00 209  98.56  98.56 9.78e-149 
      PDB  1J59       "Catabolite Gene Activator Protein (Cap)DNA COMPLEX + Adenosine-3',5'-Cyclic-Monophosphate"                                       100.00 209  99.04  99.04 7.99e-150 
      PDB  1LB2       "Structure Of The E. Coli Alpha C-Terminal Domain Of Rna Polymerase In Complex With Cap And Dna"                                  100.00 209  99.04  99.04 7.99e-150 
      PDB  1O3Q       "Protein-Dna Recognition And Dna Deformation Revealed In Crystal Structures Of Cap-Dna Complexes"                                  95.69 200  99.00  99.00 8.36e-143 
      PDB  1O3R       "Protein-Dna Recognition And Dna Deformation Revealed In Crystal Structures Of Cap-Dna Complexes"                                  95.69 200  99.00  99.00 8.36e-143 
      PDB  1O3S       "Protein-Dna Recognition And Dna Deformation Revealed In Crystal Structures Of Cap-Dna Complexes"                                  95.69 200  98.50  99.00 2.88e-142 
      PDB  1O3T       "Protein-Dna Recognition And Dna Deformation Revealed In Crystal Structures Of Cap-Dna Complexes"                                  95.69 200  99.00  99.00 8.36e-143 
      PDB  1RUN       "Catabolite Gene Activator Protein (Cap)DNA COMPLEX + Adenosine-3',5'-Cyclic-Monophosphate"                                       100.00 209  99.04  99.04 7.99e-150 
      PDB  1RUO       "Catabolite Gene Activator Protein (Cap) MutantDNA COMPLEX + Adenosine-3',5'-Cyclic-Monophosphate"                                100.00 209  98.56  98.56 1.29e-148 
      PDB  1ZRC       "4 Crystal Structures Of Cap-Dna With All Base-Pair Substitutions At Position 6, Cap-Icap38 Dna"                                  100.00 209  99.04  99.04 7.99e-150 
      PDB  1ZRD       "4 Crystal Structures Of Cap-dna With All Base-pair Substitutions At Position 6, Cap-[6a;17t]icap38 Dna"                          100.00 209  99.04  99.04 7.99e-150 
      PDB  1ZRE       "4 Crystal Structures Of Cap-Dna With All Base-Pair Substitutions At Position 6, Cap-[6g;17c]icap38 Dna"                          100.00 209  99.04  99.04 7.99e-150 
      PDB  1ZRF       "4 Crystal Structures Of Cap-Dna With All Base-Pair Substitutions At Position 6, Cap-[6c;17g]icap38 Dna"                          100.00 209  99.04  99.04 7.99e-150 
      PDB  2CGP       "Catabolite Gene Activator ProteinDNA COMPLEX, ADENOSINE-3', 5'-Cyclic-Monophosphate"                                             100.00 210  99.04  99.04 6.23e-150 
      PDB  2GZW       "Crystal Structure Of The E.coli Crp-camp Complex"                                                                                100.00 209  99.04  99.04 7.99e-150 
      PDB  2WC2       "Nmr Structure Of Catabolite Activator Protein In The Unliganded State"                                                           100.00 209  99.04  99.04 7.99e-150 
      PDB  3FWE       "Crystal Structure Of The Apo D138l Cap Mutant"                                                                                   100.00 210  98.56  98.56 1.69e-148 
      PDB  3HIF       "The Crystal Structure Of Apo Wild Type Cap At 3.6 A Resolution."                                                                 100.00 210  99.04  99.04 6.23e-150 
      PDB  3IYD       "Three-Dimensional Em Structure Of An Intact Activator-Dependent Transcription Initiation Complex"                                100.00 209  99.04  99.04 7.99e-150 
      PDB  3KCC       "Crystal Structure Of D138l Mutant Of Catabolite Gene Activator Protein"                                                          100.00 260  98.56  98.56 9.46e-148 
      PDB  3N4M       "E. Coli Rna Polymerase Alpha Subunit C-Terminal Domain In Complex With Cap And Dna"                                              100.00 209  99.04  99.04 7.99e-150 
      PDB  3QOP       "Domain-Domain Flexibility Leads To Allostery Within The Camp Receptor Protein (Crp)"                                             100.00 210  98.56  98.56 6.13e-149 
      PDB  3RDI       "Domain-Domain Flexibility Leads To Allostery Within The Camp Receptor Protein (Crp)"                                             100.00 210  98.56  98.56 6.13e-149 
      PDB  3ROU       "Domain-Domain Flexibility Leads To Allostery Within The Camp Receptor Protein (Crp)"                                             100.00 210  98.56  98.56 6.13e-149 
      PDB  3RPQ       "Domain-Domain Flexibility Leads To Allostery Within The Camp Receptor Protein (Crp)"                                             100.00 210  98.56  98.56 6.13e-149 
      PDB  3RYP       "Domain-Domain Flexibility Leads To Allostery Within The Camp Receptor Protein (Crp)"                                             100.00 210  99.04  99.04 6.23e-150 
      PDB  3RYR       "Domain-Domain Flexibility Leads To Allostery Within The Camp Receptor Protein (Crp)"                                             100.00 210  99.04  99.04 6.23e-150 
      PDB  4BH9       "A Structural Model Of Cap Mutant (t127l And S128i) In The Apo State"                                                             100.00 209 100.00 100.00 1.20e-151 
      PDB  4BHP       "A Structural Model Of Cap Mutant (t127l And S128i) In Cgmp- Bound State"                                                          99.52 209 100.00 100.00 5.85e-151 
      PDB  4FT8       "E. Coli Catabolite Activator Protein With Cobalt And Sulfate Ligands"                                                            100.00 209  99.04  99.04 7.99e-150 
      PDB  4HZF       "Structure Of The Wild Type Catabolite Gene Activator Protein"                                                                    100.00 222  99.04  99.04 1.67e-149 
      PDB  4I01       "Structure Of The Mutant Catabolite Gen Activator Protein V140l"                                                                  100.00 222  98.56  99.04 5.74e-149 
      PDB  4I02       "Structure Of The Mutant Catabolite Gene Activator Protein V140a"                                                                 100.00 222  98.56  98.56 6.54e-149 
      PDB  4I09       "Structure Of The Mutant Catabolite Gene Activator Protein V132l"                                                                 100.00 222  98.56  99.04 5.74e-149 
      PDB  4I0A       "Structure Of The Mutant Catabolite Gene Activator Protein V132a"                                                                 100.00 222  98.56  98.56 6.54e-149 
      PDB  4I0B       "Structure Of The Mutant Catabolite Gene Activator Protein H160l"                                                                 100.00 222  98.56  98.56 9.44e-148 
      PDB  4N9I       "Crystal Structure Of Transcription Regulation Protein Crp Complexed With Cgmp"                                                   100.00 210  99.04  99.04 6.23e-150 
      PDB  4R8H       "The Role Of Protein-ligand Contacts In Allosteric Regulation Of The Escherichia Coli Catabolite Activator Protein"               100.00 222  99.04  99.04 1.67e-149 
      DBJ  BAB37631   "cyclic AMP receptor protein [Escherichia coli O157:H7 str. Sakai]"                                                               100.00 210  99.04  99.04 6.23e-150 
      DBJ  BAC10627   "CRP [Pectobacterium carotovorum subsp. carotovorum]"                                                                             100.00 210  98.56  98.56 5.37e-149 
      DBJ  BAE75576   "cAMP-regulatory protein [Sodalis glossinidius str. 'morsitans']"                                                                 100.00 210  98.09  98.56 1.18e-148 
      DBJ  BAE77933   "DNA-binding transcriptional dual regulator [Escherichia coli str. K12 substr. W3110]"                                            100.00 210  98.56  98.56 4.37e-149 
      DBJ  BAG79143   "cyclic AMP receptor protein [Escherichia coli SE11]"                                                                             100.00 210  98.56  98.56 7.14e-149 
      EMBL CAA04867   "catabolite gene activator protein; cyclic AMP receptor protein [Escherichia coli]"                                               100.00 210  98.09  99.04 5.68e-149 
      EMBL CAA61609   "CRP regulatory protein [Dickeya chrysanthemi]"                                                                                   100.00 210  97.13  98.56 7.92e-148 
      EMBL CAC07215   "cAMP receptor protein [Klebsiella pneumoniae]"                                                                                   100.00 210  97.61  98.56 1.32e-147 
      EMBL CAD08147   "cyclic AMP receptor protein,catabolite gene activator [Salmonella enterica subsp. enterica serovar Typhi str. CT18]"             100.00 210  98.09  98.56 8.70e-149 
      EMBL CAE12690   "Catabolite gene activator (cAMP receptor protein) (cAMP-regulatory protein) [Photorhabdus luminescens subsp. laumondii TTO1]"    100.00 210  97.13  98.09 1.65e-147 
      GB   AAA23601   "cAMP receptor protein (crp) [Escherichia coli]"                                                                                  100.00 210  99.04  99.04 6.23e-150 
      GB   AAA25058   "catabolite activator protein [Enterobacter aerogenes]"                                                                           100.00 210  98.56  99.04 1.58e-149 
      GB   AAA26515   "catabolite gene activator protein [Shigella flexneri]"                                                                           100.00 210  99.04  99.04 6.23e-150 
      GB   AAA27039   "catabolite gene activator protein [Salmonella enterica subsp. enterica serovar Typhimurium]"                                     100.00 210  98.56  99.04 1.58e-149 
      GB   AAA58154   "cyclic AMP receptor protein [Escherichia coli str. K-12 substr. MG1655]"                                                         100.00 210  99.04  99.04 6.23e-150 
      PIR  A44903     "cAMP receptor protein - Klebsiella pneumoniae"                                                                                   100.00 210  98.56  99.04 1.58e-149 
      PIR  AG1002     "cyclic AMP receptor protein,catabolite gene activator [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT" 100.00 210  98.09  98.56 8.70e-149 
      REF  NP_312235  "cAMP-regulatory protein [Escherichia coli O157:H7 str. Sakai]"                                                                   100.00 210  99.04  99.04 6.23e-150 
      REF  NP_417816  "cAMP-activated global transcription factor, mediator of catabolite repression [Escherichia coli str. K-12 substr. MG1655]"       100.00 210  99.04  99.04 6.23e-150 
      REF  NP_458435  "cyclic AMP receptor protein,catabolite gene activator [Salmonella enterica subsp. enterica serovar Typhi str. CT18]"             100.00 210  98.09  98.56 8.70e-149 
      REF  NP_462369  "cAMP-activated global transcriptional regulator [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]"              100.00 210  98.56  99.04 1.58e-149 
      REF  NP_709132  "DNA-binding transcriptional dual regulator Crp [Shigella flexneri 2a str. 301]"                                                  100.00 210  99.04  99.04 6.23e-150 
      SP   P0A2T6     "RecName: Full=cAMP-activated global transcriptional regulator CRP; AltName: Full=Catabolite activator protein; Short=CAP; AltNa" 100.00 210  98.56  99.04 1.58e-149 
      SP   P0A2T7     "RecName: Full=cAMP-activated global transcriptional regulator CRP; AltName: Full=Catabolite activator protein; Short=CAP; AltNa" 100.00 210  98.56  99.04 1.58e-149 
      SP   P0ACJ8     "RecName: Full=cAMP-activated global transcriptional regulator CRP; AltName: Full=Catabolite activator protein; Short=CAP; AltNa" 100.00 210  99.04  99.04 6.23e-150 
      SP   P0ACJ9     "RecName: Full=cAMP-activated global transcriptional regulator CRP; AltName: Full=Catabolite activator protein; Short=CAP; AltNa" 100.00 210  99.04  99.04 6.23e-150 
      SP   P0ACK0     "RecName: Full=cAMP-activated global transcriptional regulator CRP; AltName: Full=Catabolite activator protein; Short=CAP; AltNa" 100.00 210  99.04  99.04 6.23e-150 

   stop_

save_


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

save_natural_source
   _Saveframe_category   natural_source


   loop_
      _Mol_label
      _Organism_name_common
      _NCBI_taxonomy_ID
      _Superkingdom
      _Kingdom
      _Genus
      _Species

      $CAMP_RECEPTOR_PROTEIN 'E. coli' 562 Bacteria . Escherichia coli 

   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

      $CAMP_RECEPTOR_PROTEIN 'purified from the natural source' . . . . . 

   stop_

save_


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

save_sample_1
   _Saveframe_category   sample

   _Sample_type          solution
   _Details              0.2mM

   loop_
      _Mol_label
      _Concentration_value
      _Concentration_value_units
      _Isotopic_labeling

      $CAMP_RECEPTOR_PROTEIN 0.2 mM '[U-13C; U-15N]' 

   stop_

save_


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

save_AutoDep
   _Saveframe_category   software

   _Name                 AutoDep
   _Version              4.3

   loop_
      _Vendor
      _Address
      _Electronic_address

      PDBe . . 

   stop_

   loop_
      _Task

      collection 

   stop_

   _Details              .

save_


save_CARA
   _Saveframe_category   software

   _Name                 CARA
   _Version              any

   loop_
      _Task

      'chemical shift assignment' 

   stop_

   _Details              .

save_


save_CNS
   _Saveframe_category   software

   _Name                 CNS
   _Version              any

   loop_
      _Vendor
      _Address
      _Electronic_address

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

   stop_

   loop_
      _Task

      'chemical shift assignment' 

   stop_

   _Details              .

save_


save_HADDOCK
   _Saveframe_category   software

   _Name                 HADDOCK
   _Version              any

   loop_
      _Task

      'chemical shift calculation' 

   stop_

   _Details              .

save_


save_NMRPipe
   _Saveframe_category   software

   _Name                 NMRPipe
   _Version              any

   loop_
      _Task

      'chemical shift assignment' 

   stop_

   _Details              .

save_


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

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

save_Bruker_AvanceIII_700
   _Saveframe_category   NMR_spectrometer

   _Manufacturer         Bruker
   _Model                AvanceIII
   _Field_strength       700
   _Details              .

save_


save_VARIAN_VNMRS_600
   _Saveframe_category   NMR_spectrometer

   _Manufacturer         Varian
   _Model                VNMRS
   _Field_strength       600
   _Details              .

save_


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

save_HNCA_1
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name      HNCA
   _Sample_label        $sample_1

save_


save_HNCACB_2
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name      HNCACB
   _Sample_label        $sample_1

save_


save_HNCO_3
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name      HNCO
   _Sample_label        $sample_1

save_


save_HNCOCA_4
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name      HNCOCA
   _Sample_label        $sample_1

save_


save_3D-15N-NOESY_5
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name      3D-15N-NOESY
   _Sample_label        $sample_1

save_


save_3D-13C-NOESY_6
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name      3D-13C-NOESY
   _Sample_label        $sample_1

save_


save_HNCA_7
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name      HNCA
   _Sample_label        $sample_1

save_


save_HNCACB_8
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name      HNCACB
   _Sample_label        $sample_1

save_


save_HNCO_9
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name      HNCO
   _Sample_label        $sample_1

save_


save_HNCOCA_10
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name      HNCOCA
   _Sample_label        $sample_1

save_


save_3D-15N-NOESY_11
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name      3D-15N-NOESY
   _Sample_label        $sample_1

save_


save_3D-13C-NOESY_12
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name      3D-13C-NOESY
   _Sample_label        $sample_1

save_


save_NMR_spectrometer_expt
   _Saveframe_category                     NMR_applied_experiment

   _Experiment_name                        .
   _BMRB_pulse_sequence_accession_number   .
   _Details                                .

save_


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

save_sample_conditions_1
   _Saveframe_category   sample_conditions

   _Details             'pH [6.0], temp [305], pressure [1], ionStrength [500.0]'

   loop_
      _Variable_type
      _Variable_value
      _Variable_value_error
      _Variable_value_units

      'ionic strength' 500.000 . mM  
       pH                6.000 . pH  
       pressure          1.000 . atm 
       temperature     305.000 . K   

   stop_

save_


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

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

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

save_chemical_shift_reference_1
   _Saveframe_category   chemical_shift_reference

   _Details              .

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

      DSS H 1 'methyl protons' ppm 0.0 external indirect cylindrical 'separate NMR sample tube similar to the experimental one' Parallel 1 

   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
   _Saveframe_category               assigned_chemical_shifts

   _Details                         'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/4bh9/ebi/CAP_127128_APO_1.str.csh'

   loop_
      _Experiment_label

      HNCA         
      HNCACB       
      HNCO         
      HNCOCA       
      3D-15N-NOESY 
      3D-13C-NOESY 

   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       'CAMP RECEPTOR PROTEIN'
   _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 C  C 176.703 0.3 1 
        2   1   1 VAL CA C  62.051 0.3 1 
        3   1   1 VAL N  N 125.760 0.3 1 
        4   2   2 LEU C  C 177.745 0.3 1 
        5   2   2 LEU CA C  54.707 0.3 1 
        6   2   2 LEU N  N 125.596 0.3 1 
        7   3   3 GLY C  C 173.528 0.3 1 
        8   3   3 GLY CA C  44.692 0.3 1 
        9   3   3 GLY N  N 110.182 0.3 1 
       10   4   4 LYS CA C  53.590 0.3 1 
       11   4   4 LYS N  N 122.402 0.3 1 
       12   6   6 GLN C  C 176.091 0.3 1 
       13   6   6 GLN CA C  55.429 0.3 1 
       14   6   6 GLN N  N 121.052 0.3 1 
       15   7   7 THR C  C 173.577 0.3 1 
       16   7   7 THR CA C  61.384 0.3 1 
       17   7   7 THR N  N 116.264 0.3 1 
       18   8   8 ASP CA C  51.016 0.3 1 
       19   8   8 ASP N  N 124.003 0.3 1 
       20  10  10 THR C  C 176.273 0.3 1 
       21  10  10 THR CA C  66.352 0.3 1 
       22  10  10 THR N  N 117.480 0.3 1 
       23  11  11 LEU C  C 178.588 0.3 1 
       24  11  11 LEU CA C  57.304 0.3 1 
       25  11  11 LEU N  N 124.075 0.3 1 
       26  12  12 GLU C  C 179.398 0.3 1 
       27  12  12 GLU CA C  59.492 0.3 1 
       28  12  12 GLU N  N 119.184 0.3 1 
       29  13  13 TRP C  C 179.283 0.3 1 
       30  13  13 TRP CA C  60.629 0.3 1 
       31  13  13 TRP N  N 121.359 0.3 1 
       32  14  14 PHE C  C 177.447 0.3 1 
       33  14  14 PHE CA C  60.181 0.3 1 
       34  14  14 PHE N  N 123.821 0.3 1 
       35  15  15 LEU C  C 179.828 0.3 1 
       36  15  15 LEU CA C  57.600 0.3 1 
       37  15  15 LEU N  N 119.914 0.3 1 
       38  16  16 SER C  C 174.553 0.3 1 
       39  16  16 SER CA C  60.419 0.3 1 
       40  16  16 SER N  N 114.863 0.3 1 
       41  17  17 HIS C  C 177.563 0.3 1 
       42  17  17 HIS CA C  56.413 0.3 1 
       43  17  17 HIS N  N 118.661 0.3 1 
       44  18  18 CYS C  C 173.826 0.3 1 
       45  18  18 CYS N  N 117.081 0.3 1 
       46  19  19 HIS C  C 174.603 0.3 1 
       47  19  19 HIS CA C  54.105 0.3 1 
       48  19  19 HIS N  N 118.783 0.3 1 
       49  20  20 ILE C  C 175.380 0.3 1 
       50  20  20 ILE CA C  59.826 0.3 1 
       51  20  20 ILE N  N 126.925 0.3 1 
       52  21  21 HIS C  C 173.081 0.3 1 
       53  21  21 HIS CA C  53.669 0.3 1 
       54  21  21 HIS N  N 127.095 0.3 1 
       55  22  22 LYS C  C 175.678 0.3 1 
       56  22  22 LYS CA C  55.061 0.3 1 
       57  22  22 LYS N  N 123.546 0.3 1 
       58  23  23 TYR CA C  55.004 0.3 1 
       59  23  23 TYR N  N 122.736 0.3 1 
       60  25  25 SER C  C 174.685 0.3 1 
       61  25  25 SER N  N 116.202 0.3 1 
       62  26  26 LYS C  C 175.760 0.3 1 
       63  26  26 LYS CA C  58.837 0.3 1 
       64  26  26 LYS N  N 117.037 0.3 1 
       65  27  27 SER C  C 173.743 0.3 1 
       66  27  27 SER CA C  59.084 0.3 1 
       67  27  27 SER N  N 115.567 0.3 1 
       68  28  28 THR C  C 173.627 0.3 1 
       69  28  28 THR CA C  63.353 0.3 1 
       70  28  28 THR N  N 121.191 0.3 1 
       71  29  29 LEU CA C  57.492 0.3 1 
       72  29  29 LEU N  N 128.776 0.3 1 
       73  31  31 HIS CA C  53.669 0.3 1 
       74  31  31 HIS N  N 124.807 0.3 1 
       75  33  33 GLY C  C 173.726 0.3 1 
       76  33  33 GLY CA C  44.545 0.3 1 
       77  33  33 GLY N  N 114.416 0.3 1 
       78  34  34 GLU C  C 175.876 0.3 1 
       79  34  34 GLU CA C  55.160 0.3 1 
       80  34  34 GLU N  N 119.275 0.3 1 
       81  35  35 LYS C  C 176.572 0.3 1 
       82  35  35 LYS N  N 122.394 0.3 1 
       83  36  36 ALA CA C  52.111 0.3 1 
       84  36  36 ALA N  N 128.738 0.3 1 
       85  38  38 THR CA C  60.733 0.3 1 
       86  38  38 THR N  N 114.589 0.3 1 
       87  39  39 LEU C  C 179.208 0.3 1 
       88  39  39 LEU N  N 126.956 0.3 1 
       89  40  40 TYR CA C  58.076 0.3 1 
       90  40  40 TYR N  N 121.419 0.3 1 
       91  41  41 TYR N  N 118.354 0.3 1 
       92  43  43 VAL C  C 175.992 0.3 1 
       93  43  43 VAL CA C  59.198 0.3 1 
       94  43  43 VAL N  N 118.333 0.3 1 
       95  44  44 LYS C  C 174.586 0.3 1 
       96  44  44 LYS CA C  61.414 0.3 1 
       97  44  44 LYS N  N 116.643 0.3 1 
       98  45  45 GLY C  C 171.180 0.3 1 
       99  45  45 GLY CA C  43.653 0.3 1 
      100  45  45 GLY N  N 112.843 0.3 1 
      101  46  46 SER C  C 174.140 0.3 1 
      102  46  46 SER CA C  56.413 0.3 1 
      103  46  46 SER N  N 110.065 0.3 1 
      104  47  47 VAL CA C  58.268 0.3 1 
      105  47  47 VAL N  N 116.327 0.3 1 
      106  50  50 LEU C  C 174.222 0.3 1 
      107  50  50 LEU CA C  54.262 0.3 1 
      108  50  50 LEU N  N 127.172 0.3 1 
      109  51  51 ILE C  C 174.422 0.3 1 
      110  51  51 ILE CA C  59.307 0.3 1 
      111  51  51 ILE N  N 114.548 0.3 1 
      112  52  52 LYS C  C 176.422 0.3 1 
      113  52  52 LYS CA C  54.179 0.3 1 
      114  52  52 LYS N  N 120.470 0.3 1 
      115  53  53 ASP C  C 178.340 0.3 1 
      116  53  53 ASP N  N 123.383 0.3 1 
      117  54  54 GLU C  C 178.952 0.3 1 
      118  54  54 GLU CA C  58.268 0.3 1 
      119  54  54 GLU N  N 117.910 0.3 1 
      120  55  55 GLU C  C 177.579 0.3 1 
      121  55  55 GLU CA C  64.887 0.3 1 
      122  55  55 GLU N  N 117.323 0.3 1 
      123  56  56 GLY C  C 174.702 0.3 1 
      124  56  56 GLY CA C  46.363 0.3 1 
      125  56  56 GLY N  N 107.842 0.3 1 
      126  57  57 LYS C  C 176.074 0.3 1 
      127  57  57 LYS CA C  54.138 0.3 1 
      128  57  57 LYS N  N 118.764 0.3 1 
      129  58  58 GLU C  C 176.141 0.3 1 
      130  58  58 GLU CA C  55.502 0.3 1 
      131  58  58 GLU N  N 121.591 0.3 1 
      132  59  59 MET C  C 174.123 0.3 1 
      133  59  59 MET CA C  54.039 0.3 1 
      134  59  59 MET N  N 123.837 0.3 1 
      135  60  60 ILE C  C 175.942 0.3 1 
      136  60  60 ILE CA C  60.865 0.3 1 
      137  60  60 ILE N  N 125.960 0.3 1 
      138  61  61 LEU C  C 177.100 0.3 1 
      139  61  61 LEU CA C  55.672 0.3 1 
      140  61  61 LEU N  N 129.060 0.3 1 
      141  62  62 SER C  C 171.461 0.3 1 
      142  62  62 SER CA C  57.201 0.3 1 
      143  62  62 SER N  N 109.941 0.3 1 
      144  63  63 TYR C  C 175.565 0.3 1 
      145  63  63 TYR CA C  56.753 0.3 1 
      146  63  63 TYR N  N 119.871 0.3 1 
      147  64  64 LEU C  C 175.446 0.3 1 
      148  64  64 LEU N  N 122.399 0.3 1 
      149  65  65 ASN C  C 173.230 0.3 1 
      150  65  65 ASN CA C  51.740 0.3 1 
      151  65  65 ASN N  N 121.966 0.3 1 
      152  66  66 GLN C  C 176.124 0.3 1 
      153  66  66 GLN CA C  56.475 0.3 1 
      154  66  66 GLN N  N 118.079 0.3 1 
      155  67  67 GLY C  C 173.313 0.3 1 
      156  67  67 GLY CA C  43.508 0.3 1 
      157  67  67 GLY N  N 114.718 0.3 1 
      158  68  68 ASP CA C  53.378 0.3 1 
      159  68  68 ASP N  N 120.011 0.3 1 
      160  70  70 ILE C  C 177.960 0.3 1 
      161  70  70 ILE N  N 118.019 0.3 1 
      162  71  71 GLY C  C 176.389 0.3 1 
      163  71  71 GLY CA C  45.840 0.3 1 
      164  71  71 GLY N  N 112.313 0.3 1 
      165  72  72 GLU CA C  58.491 0.3 1 
      166  72  72 GLU N  N 125.206 0.3 1 
      167  74  74 GLY C  C 173.693 0.3 1 
      168  74  74 GLY CA C  45.581 0.3 1 
      169  74  74 GLY N  N 105.608 0.3 1 
      170  75  75 LEU C  C 176.392 0.3 1 
      171  75  75 LEU CA C  55.648 0.3 1 
      172  75  75 LEU N  N 120.393 0.3 1 
      173  76  76 PHE C  C 174.867 0.3 1 
      174  76  76 PHE CA C  57.749 0.3 1 
      175  76  76 PHE N  N 113.537 0.3 1 
      176  77  77 GLU C  C 174.305 0.3 1 
      177  77  77 GLU CA C  54.883 0.3 1 
      178  77  77 GLU N  N 120.448 0.3 1 
      179  78  78 GLU C  C 176.207 0.3 1 
      180  78  78 GLU N  N 123.245 0.3 1 
      181  79  79 GLY C  C 175.628 0.3 1 
      182  79  79 GLY CA C  45.582 0.3 1 
      183  79  79 GLY N  N 112.122 0.3 1 
      184  80  80 GLN C  C 175.628 0.3 1 
      185  80  80 GLN CA C  55.355 0.3 1 
      186  80  80 GLN N  N 120.443 0.3 1 
      187  81  81 GLU C  C 177.331 0.3 1 
      188  81  81 GLU CA C  54.473 0.3 1 
      189  81  81 GLU N  N 122.381 0.3 1 
      190  82  82 ARG C  C 178.373 0.3 1 
      191  82  82 ARG CA C  54.633 0.3 1 
      192  82  82 ARG N  N 120.358 0.3 1 
      193  83  83 SER C  C 172.916 0.3 1 
      194  83  83 SER CA C  59.032 0.3 1 
      195  83  83 SER N  N 121.219 0.3 1 
      196  84  84 ALA C  C 175.727 0.3 1 
      197  84  84 ALA CA C  50.835 0.3 1 
      198  84  84 ALA N  N 122.902 0.3 1 
      199  85  85 TRP C  C 175.793 0.3 1 
      200  85  85 TRP CA C  56.562 0.3 1 
      201  85  85 TRP N  N 119.141 0.3 1 
      202  86  86 VAL C  C 174.950 0.3 1 
      203  86  86 VAL CA C  60.650 0.3 1 
      204  86  86 VAL N  N 119.270 0.3 1 
      205  87  87 ARG C  C 174.735 0.3 1 
      206  87  87 ARG CA C  53.223 0.3 1 
      207  87  87 ARG N  N 129.152 0.3 1 
      208  88  88 ALA C  C 177.679 0.3 1 
      209  88  88 ALA CA C  53.075 0.3 1 
      210  88  88 ALA N  N 128.926 0.3 1 
      211  89  89 LYS C  C 176.703 0.3 1 
      212  89  89 LYS CA C  56.934 0.3 1 
      213  89  89 LYS N  N 129.753 0.3 1 
      214  90  90 THR C  C 173.776 0.3 1 
      215  90  90 THR CA C  59.079 0.3 1 
      216  90  90 THR N  N 110.073 0.3 1 
      217  91  91 ALA C  C 180.093 0.3 1 
      218  91  91 ALA CA C  53.517 0.3 1 
      219  91  91 ALA N  N 122.027 0.3 1 
      220  92  92 CYS C  C 173.759 0.3 1 
      221  92  92 CYS CA C  56.859 0.3 1 
      222  92  92 CYS N  N 121.134 0.3 1 
      223  93  93 GLU CA C  55.449 0.3 1 
      224  93  93 GLU N  N 124.902 0.3 1 
      225  96  96 GLU CA C  54.031 0.3 1 
      226  96  96 GLU N  N 121.843 0.3 1 
      227  98  98 SER C  C 175.711 0.3 1 
      228  98  98 SER CA C  57.699 0.3 1 
      229  98  98 SER N  N 124.136 0.3 1 
      230  99  99 TYR C  C 178.423 0.3 1 
      231  99  99 TYR CA C  57.782 0.3 1 
      232  99  99 TYR N  N 122.118 0.3 1 
      233 100 100 LYS C  C 179.183 0.3 1 
      234 100 100 LYS CA C  59.400 0.3 1 
      235 100 100 LYS N  N 117.251 0.3 1 
      236 101 101 LYS C  C 179.349 0.3 1 
      237 101 101 LYS CA C  58.074 0.3 1 
      238 101 101 LYS N  N 120.374 0.3 1 
      239 102 102 PHE C  C 176.852 0.3 1 
      240 102 102 PHE CA C  62.342 0.3 1 
      241 102 102 PHE N  N 122.093 0.3 1 
      242 103 103 ARG C  C 178.704 0.3 1 
      243 103 103 ARG CA C  59.529 0.3 1 
      244 103 103 ARG N  N 115.680 0.3 1 
      245 104 104 GLN CA C  58.122 0.3 1 
      246 104 104 GLN N  N 117.688 0.3 1 
      247 105 105 LEU C  C 179.415 0.3 1 
      248 105 105 LEU CA C  57.378 0.3 1 
      249 105 105 LEU N  N 120.143 0.3 1 
      250 106 106 ILE C  C 175.297 0.3 1 
      251 106 106 ILE CA C  63.980 0.3 1 
      252 106 106 ILE N  N 116.452 0.3 1 
      253 107 107 GLN C  C 174.107 0.3 1 
      254 107 107 GLN CA C  56.784 0.3 1 
      255 107 107 GLN N  N 112.579 0.3 1 
      256 108 108 VAL C  C 176.455 0.3 1 
      257 108 108 VAL CA C  63.597 0.3 1 
      258 108 108 VAL N  N 117.034 0.3 1 
      259 109 109 ASN CA C  49.918 0.3 1 
      260 109 109 ASN N  N 114.538 0.3 1 
      261 111 111 ASP C  C 179.150 0.3 1 
      262 111 111 ASP CA C  56.983 0.3 1 
      263 111 111 ASP N  N 120.248 0.3 1 
      264 112 112 ILE C  C 176.240 0.3 1 
      265 112 112 ILE CA C  60.716 0.3 1 
      266 112 112 ILE N  N 116.070 0.3 1 
      267 113 113 LEU C  C 178.886 0.3 1 
      268 113 113 LEU CA C  55.894 0.3 1 
      269 113 113 LEU N  N 122.993 0.3 1 
      270 114 114 MET C  C 178.092 0.3 1 
      271 114 114 MET CA C  58.182 0.3 1 
      272 114 114 MET N  N 122.102 0.3 1 
      273 115 115 ARG C  C 179.051 0.3 1 
      274 115 115 ARG CA C  58.077 0.3 1 
      275 115 115 ARG N  N 117.896 0.3 1 
      276 116 116 LEU C  C 178.704 0.3 1 
      277 116 116 LEU CA C  57.897 0.3 1 
      278 116 116 LEU N  N 121.484 0.3 1 
      279 117 117 SER C  C 174.834 0.3 1 
      280 117 117 SER CA C  62.268 0.3 1 
      281 117 117 SER N  N 117.347 0.3 1 
      282 118 118 ALA C  C 180.324 0.3 1 
      283 118 118 ALA CA C  54.262 0.3 1 
      284 118 118 ALA N  N 123.873 0.3 1 
      285 119 119 GLN C  C 178.820 0.3 1 
      286 119 119 GLN CA C  58.808 0.3 1 
      287 119 119 GLN N  N 118.094 0.3 1 
      288 120 120 MET C  C 177.348 0.3 1 
      289 120 120 MET CA C  59.878 0.3 1 
      290 120 120 MET N  N 119.916 0.3 1 
      291 121 121 ALA C  C 179.299 0.3 1 
      292 121 121 ALA CA C  54.590 0.3 1 
      293 121 121 ALA N  N 121.062 0.3 1 
      294 122 122 ARG C  C 178.853 0.3 1 
      295 122 122 ARG CA C  58.855 0.3 1 
      296 122 122 ARG N  N 118.646 0.3 1 
      297 123 123 ARG C  C 178.853 0.3 1 
      298 123 123 ARG CA C  58.532 0.3 1 
      299 123 123 ARG N  N 119.680 0.3 1 
      300 124 124 LEU C  C 178.968 0.3 1 
      301 124 124 LEU CA C  65.725 0.3 1 
      302 124 124 LEU N  N 118.989 0.3 1 
      303 125 125 GLN C  C 178.968 0.3 1 
      304 125 125 GLN CA C  57.594 0.3 1 
      305 125 125 GLN N  N 121.427 0.3 1 
      306 126 126 VAL C  C 176.504 0.3 1 
      307 126 126 VAL N  N 120.122 0.3 1 
      308 127 127 LEU C  C 178.770 0.3 1 
      309 127 127 LEU CA C  57.897 0.3 1 
      310 127 127 LEU N  N 119.232 0.3 1 
      311 128 128 ILE C  C 178.671 0.3 1 
      312 128 128 ILE CA C  65.569 0.3 1 
      313 128 128 ILE N  N 120.789 0.3 1 
      314 129 129 GLU CA C  58.750 0.3 1 
      315 129 129 GLU N  N 119.854 0.3 1 
      316 131 131 VAL C  C 176.686 0.3 1 
      317 131 131 VAL CA C  55.672 0.3 1 
      318 131 131 VAL N  N 118.490 0.3 1 
      319 132 132 GLY C  C 172.899 0.3 1 
      320 132 132 GLY CA C  44.878 0.3 1 
      321 132 132 GLY N  N 109.098 0.3 1 
      322 133 133 ASN C  C 176.273 0.3 1 
      323 133 133 ASN CA C  53.517 0.3 1 
      324 133 133 ASN N  N 120.634 0.3 1 
      325 134 134 LEU C  C 177.464 0.3 1 
      326 134 134 LEU CA C  55.533 0.3 1 
      327 134 134 LEU N  N 120.297 0.3 1 
      328 135 135 ALA C  C 177.546 0.3 1 
      329 135 135 ALA CA C  52.781 0.3 1 
      330 135 135 ALA N  N 121.384 0.3 1 
      331 136 136 PHE C  C 175.661 0.3 1 
      332 136 136 PHE CA C  56.608 0.3 1 
      333 136 136 PHE N  N 117.080 0.3 1 
      334 137 137 LEU C  C 176.124 0.3 1 
      335 137 137 LEU CA C  54.781 0.3 1 
      336 137 137 LEU N  N 122.811 0.3 1 
      337 138 138 ASP C  C 175.661 0.3 1 
      338 138 138 ASP CA C  55.317 0.3 1 
      339 138 138 ASP N  N 126.453 0.3 1 

   stop_

save_