data_19145

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

save_entry_information
   _Saveframe_category      entry_information

   _Entry_title            
;
A STRUCTURAL MODEL OF CAP MUTANT (T127L AND S128I) IN CGMP- BOUND STATE
;
   _BMRB_accession_number   19145
   _BMRB_flat_file_name     bmr19145.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" 251 
      "15N chemical shifts" 118 

   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

      19144 'CAP mutant (T127L and S128I) in the apo 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           'A structural model of CAP mutant (T127L and S128I) in cGMP-bound state'
   _Enzyme_commission_number   .

   loop_
      _Mol_system_component_name
      _Mol_label

      'CAMP RECEPTOR PROTEIN' $CAMP_RECEPTOR_PROTEIN 
       cGMP                   $entity_PCG            

   stop_

   _System_molecular_weight    23548.3085
   _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                              23548.3085
   _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   2015-11-04

   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     19144  CAMP_RECEPTOR_PROTEIN                                                                                                            100.00 209 100.00 100.00 1.23e-151 
      BMRB      4388 "Cyclic AMP Receptor Protein"                                                                                                     100.00 209  99.04  99.04 8.18e-150 
      PDB  1CGP       "Catabolite Gene Activator Protein (Cap)DNA COMPLEX + Adenosine-3',5'-Cyclic-Monophosphate"                                        98.09 205  99.02  99.02 2.86e-146 
      PDB  1G6N       "2.1 Angstrom Structure Of Cap-Camp"                                                                                              100.00 210  99.04  99.04 6.38e-150 
      PDB  1HW5       "The CapCRP VARIANT T127LS128A"                                                                                                   100.00 210  99.52  99.52 7.00e-151 
      PDB  1I5Z       "Structure Of Crp-Camp At 1.9 A"                                                                                                  100.00 209  99.04  99.04 8.18e-150 
      PDB  1I6X       "Structure Of A Star Mutant Crp-Camp At 2.2 A"                                                                                    100.00 209  98.56  98.56 1.00e-148 
      PDB  1J59       "Catabolite Gene Activator Protein (Cap)DNA COMPLEX + Adenosine-3',5'-Cyclic-Monophosphate"                                       100.00 209  99.04  99.04 8.18e-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 8.18e-150 
      PDB  1O3Q       "Protein-Dna Recognition And Dna Deformation Revealed In Crystal Structures Of Cap-Dna Complexes"                                  95.69 200  99.00  99.00 8.57e-143 
      PDB  1O3R       "Protein-Dna Recognition And Dna Deformation Revealed In Crystal Structures Of Cap-Dna Complexes"                                  95.69 200  99.00  99.00 8.57e-143 
      PDB  1O3S       "Protein-Dna Recognition And Dna Deformation Revealed In Crystal Structures Of Cap-Dna Complexes"                                  95.69 200  98.50  99.00 2.95e-142 
      PDB  1O3T       "Protein-Dna Recognition And Dna Deformation Revealed In Crystal Structures Of Cap-Dna Complexes"                                  95.69 200  99.00  99.00 8.57e-143 
      PDB  1RUN       "Catabolite Gene Activator Protein (Cap)DNA COMPLEX + Adenosine-3',5'-Cyclic-Monophosphate"                                       100.00 209  99.04  99.04 8.18e-150 
      PDB  1RUO       "Catabolite Gene Activator Protein (Cap) MutantDNA COMPLEX + Adenosine-3',5'-Cyclic-Monophosphate"                                100.00 209  98.56  98.56 1.32e-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 8.18e-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 8.18e-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 8.18e-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 8.18e-150 
      PDB  2CGP       "Catabolite Gene Activator ProteinDNA COMPLEX, ADENOSINE-3', 5'-Cyclic-Monophosphate"                                             100.00 210  99.04  99.04 6.38e-150 
      PDB  2GZW       "Crystal Structure Of The E.coli Crp-camp Complex"                                                                                100.00 209  99.04  99.04 8.18e-150 
      PDB  2WC2       "Nmr Structure Of Catabolite Activator Protein In The Unliganded State"                                                           100.00 209  99.04  99.04 8.18e-150 
      PDB  3FWE       "Crystal Structure Of The Apo D138l Cap Mutant"                                                                                   100.00 210  98.56  98.56 1.74e-148 
      PDB  3HIF       "The Crystal Structure Of Apo Wild Type Cap At 3.6 A Resolution."                                                                 100.00 210  99.04  99.04 6.38e-150 
      PDB  3IYD       "Three-Dimensional Em Structure Of An Intact Activator-Dependent Transcription Initiation Complex"                                100.00 209  99.04  99.04 8.18e-150 
      PDB  3KCC       "Crystal Structure Of D138l Mutant Of Catabolite Gene Activator Protein"                                                          100.00 260  98.56  98.56 9.69e-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 8.18e-150 
      PDB  3QOP       "Domain-Domain Flexibility Leads To Allostery Within The Camp Receptor Protein (Crp)"                                             100.00 210  98.56  98.56 6.28e-149 
      PDB  3RDI       "Domain-Domain Flexibility Leads To Allostery Within The Camp Receptor Protein (Crp)"                                             100.00 210  98.56  98.56 6.28e-149 
      PDB  3ROU       "Domain-Domain Flexibility Leads To Allostery Within The Camp Receptor Protein (Crp)"                                             100.00 210  98.56  98.56 6.28e-149 
      PDB  3RPQ       "Domain-Domain Flexibility Leads To Allostery Within The Camp Receptor Protein (Crp)"                                             100.00 210  98.56  98.56 6.28e-149 
      PDB  3RYP       "Domain-Domain Flexibility Leads To Allostery Within The Camp Receptor Protein (Crp)"                                             100.00 210  99.04  99.04 6.38e-150 
      PDB  3RYR       "Domain-Domain Flexibility Leads To Allostery Within The Camp Receptor Protein (Crp)"                                             100.00 210  99.04  99.04 6.38e-150 
      PDB  4BH9       "A Structural Model Of Cap Mutant (t127l And S128i) In The Apo State"                                                             100.00 209 100.00 100.00 1.23e-151 
      PDB  4BHP       "A Structural Model Of Cap Mutant (t127l And S128i) In Cgmp- Bound State"                                                          99.52 209 100.00 100.00 5.99e-151 
      PDB  4FT8       "E. Coli Catabolite Activator Protein With Cobalt And Sulfate Ligands"                                                            100.00 209  99.04  99.04 8.18e-150 
      PDB  4HZF       "Structure Of The Wild Type Catabolite Gene Activator Protein"                                                                    100.00 222  99.04  99.04 1.71e-149 
      PDB  4I01       "Structure Of The Mutant Catabolite Gen Activator Protein V140l"                                                                  100.00 222  98.56  99.04 5.88e-149 
      PDB  4I02       "Structure Of The Mutant Catabolite Gene Activator Protein V140a"                                                                 100.00 222  98.56  98.56 6.70e-149 
      PDB  4I09       "Structure Of The Mutant Catabolite Gene Activator Protein V132l"                                                                 100.00 222  98.56  99.04 5.88e-149 
      PDB  4I0A       "Structure Of The Mutant Catabolite Gene Activator Protein V132a"                                                                 100.00 222  98.56  98.56 6.70e-149 
      PDB  4I0B       "Structure Of The Mutant Catabolite Gene Activator Protein H160l"                                                                 100.00 222  98.56  98.56 9.66e-148 
      PDB  4N9I       "Crystal Structure Of Transcription Regulation Protein Crp Complexed With Cgmp"                                                   100.00 210  99.04  99.04 6.38e-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 1.71e-149 
      DBJ  BAB37631   "cyclic AMP receptor protein [Escherichia coli O157:H7 str. Sakai]"                                                               100.00 210  99.04  99.04 6.38e-150 
      DBJ  BAC10627   "CRP [Pectobacterium carotovorum subsp. carotovorum]"                                                                             100.00 210  98.56  98.56 5.51e-149 
      DBJ  BAE75576   "cAMP-regulatory protein [Sodalis glossinidius str. 'morsitans']"                                                                 100.00 210  98.09  98.56 1.21e-148 
      DBJ  BAE77933   "DNA-binding transcriptional dual regulator [Escherichia coli str. K12 substr. W3110]"                                            100.00 210  98.56  98.56 4.47e-149 
      DBJ  BAG79143   "cyclic AMP receptor protein [Escherichia coli SE11]"                                                                             100.00 210  98.56  98.56 7.32e-149 
      EMBL CAA04867   "catabolite gene activator protein; cyclic AMP receptor protein [Escherichia coli]"                                               100.00 210  98.09  99.04 5.81e-149 
      EMBL CAA61609   "CRP regulatory protein [Dickeya chrysanthemi]"                                                                                   100.00 210  97.13  98.56 8.12e-148 
      EMBL CAC07215   "cAMP receptor protein [Klebsiella pneumoniae]"                                                                                   100.00 210  97.61  98.56 1.36e-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 8.91e-149 
      EMBL CAE12690   "Catabolite gene activator (cAMP receptor protein) (cAMP-regulatory protein) [Photorhabdus luminescens subsp. laumondii TTO1]"    100.00 210  97.13  98.09 1.69e-147 
      GB   AAA23601   "cAMP receptor protein (crp) [Escherichia coli]"                                                                                  100.00 210  99.04  99.04 6.38e-150 
      GB   AAA25058   "catabolite activator protein [Enterobacter aerogenes]"                                                                           100.00 210  98.56  99.04 1.62e-149 
      GB   AAA26515   "catabolite gene activator protein [Shigella flexneri]"                                                                           100.00 210  99.04  99.04 6.38e-150 
      GB   AAA27039   "catabolite gene activator protein [Salmonella enterica subsp. enterica serovar Typhimurium]"                                     100.00 210  98.56  99.04 1.62e-149 
      GB   AAA58154   "cyclic AMP receptor protein [Escherichia coli str. K-12 substr. MG1655]"                                                         100.00 210  99.04  99.04 6.38e-150 
      PIR  A44903     "cAMP receptor protein - Klebsiella pneumoniae"                                                                                   100.00 210  98.56  99.04 1.62e-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 8.91e-149 
      REF  NP_312235  "cAMP-regulatory protein [Escherichia coli O157:H7 str. Sakai]"                                                                   100.00 210  99.04  99.04 6.38e-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 6.38e-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 8.91e-149 
      REF  NP_462369  "cAMP-activated global transcriptional regulator [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]"              100.00 210  98.56  99.04 1.62e-149 
      REF  NP_709132  "DNA-binding transcriptional dual regulator Crp [Shigella flexneri 2a str. 301]"                                                  100.00 210  99.04  99.04 6.38e-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 1.62e-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 1.62e-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 6.38e-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 6.38e-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 6.38e-150 

   stop_

save_


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

save_PCG
   _Saveframe_category             ligand

   _Mol_type                      "non-polymer (NON-POLYMER)"
   _Name_common                   "entity_PCG (CYCLIC GUANOSINE MONOPHOSPHATE)"
   _BMRB_code                      PCG
   _PDB_code                       PCG
   _Molecular_mass                 345.205
   _Mol_charge                     0
   _Mol_paramagnetic               .
   _Mol_aromatic                   yes
   _Details                        .

   loop_
      _Atom_name
      _PDB_atom_name
      _Atom_type
      _Atom_chirality
      _Atom_charge
      _Atom_oxidation_number
      _Atom_unpaired_electrons

      C1'  C1'  C . 0 . ? 
      C2   C2   C . 0 . ? 
      C2'  C2'  C . 0 . ? 
      C3'  C3'  C . 0 . ? 
      C4   C4   C . 0 . ? 
      C4'  C4'  C . 0 . ? 
      C5   C5   C . 0 . ? 
      C5'  C5'  C . 0 . ? 
      C6   C6   C . 0 . ? 
      C8   C8   C . 0 . ? 
      H1'  H1'  H . 0 . ? 
      H2'  H2'  H . 0 . ? 
      H3'  H3'  H . 0 . ? 
      H4'  H4'  H . 0 . ? 
      H5'1 H5'1 H . 0 . ? 
      H5'2 H5'2 H . 0 . ? 
      H8   H8   H . 0 . ? 
      HN1  HN1  H . 0 . ? 
      HN21 HN21 H . 0 . ? 
      HN22 HN22 H . 0 . ? 
      HO1A HO1A H . 0 . ? 
      HO2' HO2' H . 0 . ? 
      N1   N1   N . 0 . ? 
      N2   N2   N . 0 . ? 
      N3   N3   N . 0 . ? 
      N7   N7   N . 0 . ? 
      N9   N9   N . 0 . ? 
      O1A  O1A  O . 0 . ? 
      O2'  O2'  O . 0 . ? 
      O2A  O2A  O . 0 . ? 
      O3'  O3'  O . 0 . ? 
      O4'  O4'  O . 0 . ? 
      O5'  O5'  O . 0 . ? 
      O6   O6   O . 0 . ? 
      PA   PA   P . 0 . ? 

   stop_

   loop_
      _Bond_order
      _Bond_atom_one_atom_name
      _Bond_atom_two_atom_name
      _PDB_bond_atom_one_atom_name
      _PDB_bond_atom_two_atom_name

      SING PA  O1A  ? ? 
      DOUB PA  O2A  ? ? 
      SING PA  O5'  ? ? 
      SING PA  O3'  ? ? 
      SING O1A HO1A ? ? 
      SING O5' C5'  ? ? 
      SING C5' C4'  ? ? 
      SING C5' H5'1 ? ? 
      SING C5' H5'2 ? ? 
      SING C4' O4'  ? ? 
      SING C4' C3'  ? ? 
      SING C4' H4'  ? ? 
      SING O4' C1'  ? ? 
      SING C3' O3'  ? ? 
      SING C3' C2'  ? ? 
      SING C3' H3'  ? ? 
      SING C2' O2'  ? ? 
      SING C2' C1'  ? ? 
      SING C2' H2'  ? ? 
      SING O2' HO2' ? ? 
      SING C1' N9   ? ? 
      SING C1' H1'  ? ? 
      SING N9  C8   ? ? 
      SING N9  C4   ? ? 
      DOUB C8  N7   ? ? 
      SING C8  H8   ? ? 
      SING N7  C5   ? ? 
      SING C5  C6   ? ? 
      DOUB C5  C4   ? ? 
      DOUB C6  O6   ? ? 
      SING C6  N1   ? ? 
      SING N1  C2   ? ? 
      SING N1  HN1  ? ? 
      SING C2  N2   ? ? 
      DOUB C2  N3   ? ? 
      SING N2  HN21 ? ? 
      SING N2  HN22 ? ? 
      SING N3  C4   ? ? 

   stop_

   _Mol_thiol_state                .
   _Sequence_homology_query_date   .

save_


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

save_natural_source
   _Saveframe_category   natural_source


   loop_
      _Mol_label
      _Organism_name_common
      _NCBI_taxonomy_ID
      _Superkingdom
      _Kingdom
      _Genus
      _Species

      $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 'chemical synthesis' . . . . . 

   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_Avance-0
   _Saveframe_category   NMR_spectrometer

   _Manufacturer         Bruker
   _Model                Avance
   _Field_strength       0
   _Details              .

save_


save_VARIAN_VNMRS-600
   _Saveframe_category   NMR_spectrometer

   _Manufacturer         VARIAN
   _Model                VNMRS
   _Field_strength       600
   _Details              .

save_


save_BRUKER_AVANCEIII-700
   _Saveframe_category   NMR_spectrometer

   _Manufacturer         Bruker
   _Model                AVANCEIII
   _Field_strength       700
   _Details              .

save_


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

save_n/a_1
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name      n/a
   _Sample_label        $sample_1

save_


save_HNCA_2
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name      HNCA
   _Sample_label        $sample_1

save_


save_HNCACB_3
   _Saveframe_category   NMR_applied_experiment

   _Experiment_name      HNCACB
   _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 [0.0], 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     . 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/4bhp/ebi/T127128N_cGMP_1.str.csh'

   loop_
      _Experiment_label

      HNCA 

   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 CA C  62.051 0.3 1 
        2   1   1 VAL CB C  31.710 0.3 1 
        3   1   1 VAL N  N 125.678 0.3 1 
        4   2   2 LEU CA C  54.707 0.3 1 
        5   2   2 LEU CB C  41.131 0.3 1 
        6   2   2 LEU N  N 125.531 0.3 1 
        7   3   3 GLY CA C  44.692 0.3 1 
        8   3   3 GLY N  N 110.121 0.3 1 
        9   4   4 LYS CA C  53.590 0.3 1 
       10   4   4 LYS CB C  31.675 0.3 1 
       11   4   4 LYS N  N 122.324 0.3 1 
       12   6   6 GLN CA C  55.429 0.3 1 
       13   6   6 GLN CB C  28.586 0.3 1 
       14   6   6 GLN N  N 120.921 0.3 1 
       15   7   7 THR CA C  61.384 0.3 1 
       16   7   7 THR CB C  69.396 0.3 1 
       17   7   7 THR N  N 116.171 0.3 1 
       18   8   8 ASP CA C  51.016 0.3 1 
       19   8   8 ASP CB C  41.162 0.3 1 
       20   8   8 ASP N  N 124.003 0.3 1 
       21  10  10 THR CA C  66.338 0.3 1 
       22  10  10 THR N  N 117.451 0.3 1 
       23  11  11 LEU CA C  57.304 0.3 1 
       24  11  11 LEU N  N 123.994 0.3 1 
       25  12  12 GLU CA C  59.326 0.3 1 
       26  12  12 GLU CB C  28.660 0.3 1 
       27  12  12 GLU N  N 119.074 0.3 1 
       28  13  13 TRP CA C  60.513 0.3 1 
       29  13  13 TRP N  N 121.359 0.3 1 
       30  14  14 PHE N  N 123.704 0.3 1 
       31  15  15 LEU CA C  57.600 0.3 1 
       32  15  15 LEU CB C  40.093 0.3 1 
       33  15  15 LEU N  N 119.914 0.3 1 
       34  16  16 SER CA C  60.419 0.3 1 
       35  16  16 SER CB C  62.051 0.3 1 
       36  16  16 SER N  N 114.827 0.3 1 
       37  17  17 HIS CA C  56.413 0.3 1 
       38  17  17 HIS CB C  30.003 0.3 1 
       39  17  17 HIS N  N 118.569 0.3 1 
       40  18  18 CYS N  N 116.914 0.3 1 
       41  19  19 HIS CA C  54.105 0.3 1 
       42  19  19 HIS CB C  30.057 0.3 1 
       43  19  19 HIS N  N 118.636 0.3 1 
       44  20  20 ILE CA C  59.826 0.3 1 
       45  20  20 ILE CB C  36.383 0.3 1 
       46  20  20 ILE N  N 126.925 0.3 1 
       47  21  21 HIS CA C  53.669 0.3 1 
       48  21  21 HIS CB C  32.229 0.3 1 
       49  21  21 HIS N  N 127.223 0.3 1 
       50  22  22 LYS CA C  55.061 0.3 1 
       51  22  22 LYS CB C  32.410 0.3 1 
       52  22  22 LYS N  N 123.700 0.3 1 
       53  23  23 TYR CA C  55.004 0.3 1 
       54  23  23 TYR CB C  39.944 0.3 1 
       55  23  23 TYR N  N 122.958 0.3 1 
       56  25  25 SER CA C  59.934 0.3 1 
       57  25  25 SER N  N 116.169 0.3 1 
       58  26  26 LYS CA C  58.868 0.3 1 
       59  26  26 LYS CB C  29.039 0.3 1 
       60  26  26 LYS N  N 116.971 0.3 1 
       61  27  27 SER CA C  59.084 0.3 1 
       62  27  27 SER CB C  64.054 0.3 1 
       63  27  27 SER N  N 115.447 0.3 1 
       64  28  28 THR CA C  63.290 0.3 1 
       65  28  28 THR CB C  68.078 0.3 1 
       66  28  28 THR N  N 121.388 0.3 1 
       67  29  29 LEU CA C  57.304 0.3 1 
       68  29  29 LEU CB C  42.467 0.3 1 
       69  29  29 LEU N  N 128.231 0.3 1 
       70  31  31 HIS CA C  53.669 0.3 1 
       71  31  31 HIS CB C  29.484 0.3 1 
       72  31  31 HIS N  N 125.399 0.3 1 
       73  32  32 GLN N  N 118.765 0.3 1 
       74  33  33 GLY CA C  44.545 0.3 1 
       75  33  33 GLY N  N 114.011 0.3 1 
       76  34  34 GLU CA C  55.160 0.3 1 
       77  34  34 GLU N  N 118.793 0.3 1 
       78  35  35 LYS N  N 122.020 0.3 1 
       79  36  36 ALA CA C  52.111 0.3 1 
       80  36  36 ALA CB C  18.801 0.3 1 
       81  36  36 ALA N  N 128.816 0.3 1 
       82  38  38 THR N  N 113.568 0.3 1 
       83  39  39 LEU N  N 126.956 0.3 1 
       84  40  40 TYR CA C  58.076 0.3 1 
       85  40  40 TYR CB C  41.235 0.3 1 
       86  40  40 TYR N  N 120.831 0.3 1 
       87  43  43 VAL CA C  59.198 0.3 1 
       88  43  43 VAL N  N 118.333 0.3 1 
       89  44  44 LYS C  C 174.586 0.3 1 
       90  44  44 LYS CA C  61.414 0.3 1 
       91  44  44 LYS N  N 116.530 0.3 1 
       92  45  45 GLY C  C 174.140 0.3 1 
       93  45  45 GLY CA C  43.653 0.3 1 
       94  45  45 GLY N  N 112.843 0.3 1 
       95  46  46 SER C  C 174.140 0.3 1 
       96  46  46 SER CA C  56.413 0.3 1 
       97  46  46 SER CB C  65.761 0.3 1 
       98  46  46 SER N  N 109.918 0.3 1 
       99  47  47 VAL CA C  58.268 0.3 1 
      100  47  47 VAL CB C  33.861 0.3 1 
      101  47  47 VAL N  N 115.662 0.3 1 
      102  50  50 LEU C  C 174.222 0.3 1 
      103  50  50 LEU CA C  54.262 0.3 1 
      104  50  50 LEU CB C  45.063 0.3 1 
      105  50  50 LEU N  N 126.550 0.3 1 
      106  51  51 ILE C  C 174.276 0.3 1 
      107  51  51 ILE CA C  59.307 0.3 1 
      108  51  51 ILE CB C  41.131 0.3 1 
      109  51  51 ILE N  N 114.805 0.3 1 
      110  52  52 LYS C  C 176.509 0.3 1 
      111  52  52 LYS CA C  54.179 0.3 1 
      112  52  52 LYS CB C  35.131 0.3 1 
      113  52  52 LYS N  N 120.271 0.3 1 
      114  53  53 ASP C  C 178.340 0.3 1 
      115  53  53 ASP CA C  51.678 0.3 1 
      116  53  53 ASP N  N 123.021 0.3 1 
      117  54  54 GLU CA C  58.268 0.3 1 
      118  54  54 GLU CB C  28.445 0.3 1 
      119  54  54 GLU N  N 117.762 0.3 1 
      120  55  55 GLU C  C 177.462 0.3 1 
      121  55  55 GLU CA C  64.887 0.3 1 
      122  55  55 GLU CB C  30.793 0.3 1 
      123  55  55 GLU N  N 117.323 0.3 1 
      124  56  56 GLY C  C 174.702 0.3 1 
      125  56  56 GLY CA C  46.363 0.3 1 
      126  56  56 GLY N  N 108.514 0.3 1 
      127  57  57 LYS C  C 176.212 0.3 1 
      128  57  57 LYS CA C  54.138 0.3 1 
      129  57  57 LYS CB C  38.376 0.3 1 
      130  57  57 LYS N  N 119.056 0.3 1 
      131  58  58 GLU C  C 176.141 0.3 1 
      132  58  58 GLU CA C  55.502 0.3 1 
      133  58  58 GLU CB C  30.940 0.3 1 
      134  58  58 GLU N  N 121.721 0.3 1 
      135  59  59 MET C  C 174.123 0.3 1 
      136  59  59 MET CA C  54.039 0.3 1 
      137  59  59 MET CB C  34.158 0.3 1 
      138  59  59 MET N  N 123.916 0.3 1 
      139  60  60 ILE C  C 176.036 0.3 1 
      140  60  60 ILE CA C  60.865 0.3 1 
      141  60  60 ILE CB C  36.532 0.3 1 
      142  60  60 ILE N  N 125.552 0.3 1 
      143  61  61 LEU C  C 177.100 0.3 1 
      144  61  61 LEU CA C  55.672 0.3 1 
      145  61  61 LEU CB C  42.467 0.3 1 
      146  61  61 LEU N  N 128.713 0.3 1 
      147  62  62 SER C  C 171.610 0.3 1 
      148  62  62 SER CA C  57.201 0.3 1 
      149  62  62 SER CB C  65.250 0.3 1 
      150  62  62 SER N  N 109.956 0.3 1 
      151  63  63 TYR C  C 178.770 0.3 1 
      152  63  63 TYR CA C  56.753 0.3 1 
      153  63  63 TYR CB C  39.250 0.3 1 
      154  63  63 TYR N  N 119.431 0.3 1 
      155  64  64 LEU C  C 175.410 0.3 1 
      156  64  64 LEU CA C  65.430 0.3 1 
      157  64  64 LEU CB C  36.970 0.3 1 
      158  64  64 LEU N  N 120.789 0.3 1 
      159  65  65 ASN C  C 173.230 0.3 1 
      160  65  65 ASN CA C  51.740 0.3 1 
      161  65  65 ASN CB C  43.060 0.3 1 
      162  65  65 ASN N  N 121.649 0.3 1 
      163  66  66 GLN C  C 176.064 0.3 1 
      164  66  66 GLN CA C  56.475 0.3 1 
      165  66  66 GLN CB C  27.541 0.3 1 
      166  66  66 GLN N  N 117.977 0.3 1 
      167  67  67 GLY CA C  43.368 0.3 1 
      168  67  67 GLY N  N 114.512 0.3 1 
      169  70  70 ILE N  N 119.458 0.3 1 
      170  72  72 GLU CA C  58.491 0.3 1 
      171  72  72 GLU CB C  28.742 0.3 1 
      172  72  72 GLU N  N 125.206 0.3 1 
      173  74  74 GLY C  C 173.248 0.3 1 
      174  74  74 GLY CA C  45.581 0.3 1 
      175  74  74 GLY N  N 104.881 0.3 1 
      176  75  75 LEU C  C 176.282 0.3 1 
      177  75  75 LEU CA C  55.648 0.3 1 
      178  75  75 LEU N  N 119.424 0.3 1 
      179  76  76 PHE C  C 174.867 0.3 1 
      180  76  76 PHE CA C  57.749 0.3 1 
      181  76  76 PHE CB C  39.054 0.3 1 
      182  76  76 PHE N  N 113.112 0.3 1 
      183  77  77 GLU C  C 174.305 0.3 1 
      184  77  77 GLU CA C  54.883 0.3 1 
      185  77  77 GLU CB C  30.162 0.3 1 
      186  77  77 GLU N  N 120.114 0.3 1 
      187  78  78 GLU C  C 178.056 0.3 1 
      188  78  78 GLU CA C  56.809 0.3 1 
      189  78  78 GLU N  N 123.230 0.3 1 
      190  79  79 GLY CA C  45.582 0.3 1 
      191  79  79 GLY N  N 111.713 0.3 1 
      192  80  80 GLN CA C  55.355 0.3 1 
      193  80  80 GLN CB C  29.028 0.3 1 
      194  80  80 GLN N  N 120.443 0.3 1 
      195  81  81 GLU CA C  54.473 0.3 1 
      196  81  81 GLU CB C  30.278 0.3 1 
      197  81  81 GLU N  N 122.381 0.3 1 
      198  82  82 ARG CA C  54.633 0.3 1 
      199  82  82 ARG CB C  29.262 0.3 1 
      200  82  82 ARG N  N 120.358 0.3 1 
      201  83  83 SER CA C  59.032 0.3 1 
      202  83  83 SER CB C  63.518 0.3 1 
      203  83  83 SER N  N 121.219 0.3 1 
      204  84  84 ALA CA C  50.835 0.3 1 
      205  84  84 ALA CB C  20.982 0.3 1 
      206  84  84 ALA N  N 121.799 0.3 1 
      207  85  85 TRP C  C 174.970 0.3 1 
      208  85  85 TRP CA C  56.562 0.3 1 
      209  85  85 TRP CB C  30.226 0.3 1 
      210  85  85 TRP N  N 119.141 0.3 1 
      211  86  86 VAL C  C 174.775 0.3 1 
      212  86  86 VAL CA C  60.650 0.3 1 
      213  86  86 VAL CB C  33.366 0.3 1 
      214  86  86 VAL N  N 119.873 0.3 1 
      215  87  87 ARG C  C 174.649 0.3 1 
      216  87  87 ARG CA C  53.223 0.3 1 
      217  87  87 ARG CB C  33.787 0.3 1 
      218  87  87 ARG N  N 129.318 0.3 1 
      219  88  88 ALA C  C 177.679 0.3 1 
      220  88  88 ALA CA C  53.075 0.3 1 
      221  88  88 ALA CB C  18.060 0.3 1 
      222  88  88 ALA N  N 128.866 0.3 1 
      223  89  89 LYS C  C 176.703 0.3 1 
      224  89  89 LYS CA C  56.934 0.3 1 
      225  89  89 LYS CB C  32.076 0.3 1 
      226  89  89 LYS N  N 129.753 0.3 1 
      227  90  90 THR C  C 173.776 0.3 1 
      228  90  90 THR N  N 110.090 0.3 1 
      229  91  91 ALA C  C 180.157 0.3 1 
      230  91  91 ALA CA C  53.517 0.3 1 
      231  91  91 ALA CB C  16.967 0.3 1 
      232  91  91 ALA N  N 121.883 0.3 1 
      233  92  92 CYS C  C 173.837 0.3 1 
      234  92  92 CYS CA C  56.859 0.3 1 
      235  92  92 CYS CB C  31.339 0.3 1 
      236  92  92 CYS N  N 121.206 0.3 1 
      237  93  93 GLU CA C  55.449 0.3 1 
      238  93  93 GLU CB C  31.265 0.3 1 
      239  93  93 GLU N  N 124.902 0.3 1 
      240  96  96 GLU CA C  54.031 0.3 1 
      241  96  96 GLU CB C  32.484 0.3 1 
      242  96  96 GLU N  N 121.672 0.3 1 
      243  98  98 SER C  C 175.652 0.3 1 
      244  98  98 SER CA C  57.696 0.3 1 
      245  98  98 SER N  N 124.276 0.3 1 
      246  99  99 TYR C  C 178.423 0.3 1 
      247  99  99 TYR CA C  57.782 0.3 1 
      248  99  99 TYR CB C  35.573 0.3 1 
      249  99  99 TYR N  N 122.132 0.3 1 
      250 100 100 LYS C  C 179.161 0.3 1 
      251 100 100 LYS CA C  59.400 0.3 1 
      252 100 100 LYS CB C  31.822 0.3 1 
      253 100 100 LYS N  N 117.163 0.3 1 
      254 101 101 LYS C  C 179.317 0.3 1 
      255 101 101 LYS CA C  58.074 0.3 1 
      256 101 101 LYS CB C  30.827 0.3 1 
      257 101 101 LYS N  N 120.374 0.3 1 
      258 102 102 PHE C  C 176.852 0.3 1 
      259 102 102 PHE CA C  62.342 0.3 1 
      260 102 102 PHE CB C  38.367 0.3 1 
      261 102 102 PHE N  N 121.924 0.3 1 
      262 103 103 ARG C  C 178.569 0.3 1 
      263 103 103 ARG CA C  59.529 0.3 1 
      264 103 103 ARG CB C  29.187 0.3 1 
      265 103 103 ARG N  N 115.473 0.3 1 
      266 104 104 GLN C  C 179.542 0.3 1 
      267 104 104 GLN CA C  57.971 0.3 1 
      268 104 104 GLN CB C  27.407 0.3 1 
      269 104 104 GLN N  N 117.578 0.3 1 
      270 106 106 ILE C  C 175.093 0.3 1 
      271 106 106 ILE CA C  63.980 0.3 1 
      272 106 106 ILE CB C  36.903 0.3 1 
      273 106 106 ILE N  N 116.424 0.3 1 
      274 107 107 GLN C  C 174.107 0.3 1 
      275 107 107 GLN CA C  56.628 0.3 1 
      276 107 107 GLN CB C  27.629 0.3 1 
      277 107 107 GLN N  N 112.114 0.3 1 
      278 108 108 VAL C  C 176.455 0.3 1 
      279 108 108 VAL CA C  63.597 0.3 1 
      280 108 108 VAL N  N 116.911 0.3 1 
      281 109 109 ASN CA C  49.918 0.3 1 
      282 109 109 ASN CB C  38.056 0.3 1 
      283 109 109 ASN N  N 114.125 0.3 1 
      284 111 111 ASP C  C 179.081 0.3 1 
      285 111 111 ASP CA C  56.983 0.3 1 
      286 111 111 ASP CB C  40.304 0.3 1 
      287 111 111 ASP N  N 120.230 0.3 1 
      288 112 112 ILE C  C 176.089 0.3 1 
      289 112 112 ILE CA C  60.716 0.3 1 
      290 112 112 ILE CB C  37.496 0.3 1 
      291 112 112 ILE N  N 115.708 0.3 1 
      292 113 113 LEU C  C 178.802 0.3 1 
      293 113 113 LEU CA C  55.894 0.3 1 
      294 113 113 LEU CB C  40.167 0.3 1 
      295 113 113 LEU N  N 122.747 0.3 1 
      296 114 114 MET C  C 178.092 0.3 1 
      297 114 114 MET CA C  58.106 0.3 1 
      298 114 114 MET CB C  30.204 0.3 1 
      299 114 114 MET N  N 121.969 0.3 1 
      300 115 115 ARG C  C 179.027 0.3 1 
      301 115 115 ARG CA C  58.077 0.3 1 
      302 115 115 ARG CB C  28.710 0.3 1 
      303 115 115 ARG N  N 117.677 0.3 1 
      304 116 116 LEU C  C 178.650 0.3 1 
      305 116 116 LEU CA C  57.897 0.3 1 
      306 116 116 LEU CB C  40.983 0.3 1 
      307 116 116 LEU N  N 121.334 0.3 1 
      308 117 117 SER C  C 174.834 0.3 1 
      309 117 117 SER CA C  62.268 0.3 1 
      310 117 117 SER N  N 117.150 0.3 1 
      311 118 118 ALA C  C 180.388 0.3 1 
      312 118 118 ALA CA C  54.262 0.3 1 
      313 118 118 ALA CB C  17.318 0.3 1 
      314 118 118 ALA N  N 123.745 0.3 1 
      315 119 119 GLN CA C  58.808 0.3 1 
      316 119 119 GLN CB C  26.453 0.3 1 
      317 119 119 GLN N  N 118.327 0.3 1 
      318 120 120 MET CA C  59.878 0.3 1 
      319 120 120 MET N  N 119.916 0.3 1 
      320 121 121 ALA C  C 179.226 0.3 1 
      321 121 121 ALA CA C  54.590 0.3 1 
      322 121 121 ALA CB C  17.824 0.3 1 
      323 121 121 ALA N  N 121.062 0.3 1 
      324 122 122 ARG C  C 178.853 0.3 1 
      325 122 122 ARG CA C  58.723 0.3 1 
      326 122 122 ARG CB C  28.991 0.3 1 
      327 122 122 ARG N  N 118.210 0.3 1 
      328 123 123 ARG C  C 178.673 0.3 1 
      329 123 123 ARG CA C  58.274 0.3 1 
      330 123 123 ARG N  N 119.649 0.3 1 
      331 124 124 LEU C  C 178.968 0.3 1 
      332 124 124 LEU CA C  65.565 0.3 1 
      333 124 124 LEU CB C  31.239 0.3 1 
      334 124 124 LEU N  N 118.946 0.3 1 
      335 125 125 GLN N  N 121.754 0.3 1 
      336 126 126 VAL N  N 120.111 0.3 1 
      337 128 128 ILE CA C  62.265 0.3 1 
      338 128 128 ILE N  N 119.232 0.3 1 
      339 129 129 GLU CA C  49.325 0.3 1 
      340 129 129 GLU CB C  28.366 0.3 1 
      341 129 129 GLU N  N 120.837 0.3 1 
      342 131 131 VAL C  C 176.686 0.3 1 
      343 131 131 VAL CA C  55.558 0.3 1 
      344 131 131 VAL N  N 118.490 0.3 1 
      345 132 132 GLY C  C 172.899 0.3 1 
      346 132 132 GLY CA C  44.766 0.3 1 
      347 132 132 GLY N  N 109.052 0.3 1 
      348 133 133 ASN CA C  53.816 0.3 1 
      349 133 133 ASN CB C  32.690 0.3 1 
      350 133 133 ASN N  N 120.634 0.3 1 
      351 134 134 LEU C  C 177.358 0.3 1 
      352 134 134 LEU CA C  55.533 0.3 1 
      353 134 134 LEU CB C  41.537 0.3 1 
      354 134 134 LEU N  N 120.297 0.3 1 
      355 135 135 ALA C  C 177.459 0.3 1 
      356 135 135 ALA CA C  52.781 0.3 1 
      357 135 135 ALA CB C  18.291 0.3 1 
      358 135 135 ALA N  N 121.773 0.3 1 
      359 136 136 PHE C  C 175.725 0.3 1 
      360 136 136 PHE CA C  56.765 0.3 1 
      361 136 136 PHE CB C  38.346 0.3 1 
      362 136 136 PHE N  N 116.933 0.3 1 
      363 137 137 LEU C  C 176.124 0.3 1 
      364 137 137 LEU CA C  54.584 0.3 1 
      365 137 137 LEU CB C  41.502 0.3 1 
      366 137 137 LEU N  N 122.833 0.3 1 
      367 138 138 ASP CA C  55.317 0.3 1 
      368 138 138 ASP CB C  41.583 0.3 1 
      369 138 138 ASP N  N 126.383 0.3 1 

   stop_

save_