data_19145 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19145 _Entry.Title ; A STRUCTURAL MODEL OF CAP MUTANT (T127L AND S128I) IN CGMP- BOUND STATE ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-04-05 _Entry.Accession_date 2013-04-05 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Shiou-Ru Tzeng . . . 19145 2 C. Kalodimos . G. . 19145 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19145 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . TzengGroup . 19145 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'cAMP receptor protein' . 19145 'Catabolite Activator Protein' . 19145 TRANSCRIPTION . 19145 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19145 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 251 19145 '15N chemical shifts' 118 19145 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2013-07-09 2013-04-05 update BMRB 'update entry citation' 19145 1 . . 2013-05-30 2013-04-05 original author 'original release' 19145 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19144 'CAP mutant (T127L and S128I) in the apo state' 19145 PDB 4bh9 'CAP mutant (T127L and S128I) in the apo state' 19145 PDB 4bhp 'CAP mutant (T127L and S128I) in cGMP-bound state' 19145 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19145 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23644478 _Citation.Full_citation . _Citation.Title 'Allosteric inhibition through suppression of transient conformational states.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Chem. Biol.' _Citation.Journal_name_full 'Nature chemical biology' _Citation.Journal_volume 9 _Citation.Journal_issue 7 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 462 _Citation.Page_last 465 _Citation.Year 2013 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Shiou-Ru Tzeng . . . 19145 1 2 Charalampos Kalodimos . G. . 19145 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19145 _Assembly.ID 1 _Assembly.Name 'A structural model of CAP mutant (T127L and S128I) in cGMP-bound state' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 23548.3085 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'CAMP RECEPTOR PROTEIN' 1 $CAMP_RECEPTOR_PROTEIN A . yes native no no . . . 19145 1 2 cGMP 2 $entity_PCG B . no native no no . . . 19145 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CAMP_RECEPTOR_PROTEIN _Entity.Sf_category entity _Entity.Sf_framecode CAMP_RECEPTOR_PROTEIN _Entity.Entry_ID 19145 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CAMP_RECEPTOR_PROTEIN _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; VLGKPQTDPTLEWFLSHCHI HKYPSKSTLIHQGEKAETLY YIVKGSVAVLIKDEEGKEMI LSYLNQGDFIGELGLFEEGQ ERSAWVRAKTACEVAEISYK KFRQLIQVNPDILMRLSAQM ARRLQVLIEKVGNLAFLDVT GRIAQTLLNLAKQPDAMTHP DGMQIKITRQEIGQIVGCSR ETVGRILKMLEDQNLISAHG KTIVVYGTR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 209 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation YES _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 23548.3085 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP CRP_ECOLI . P0ACJ8 . . . . . . . . . . . . . . 19145 1 2 no BMRB 19144 . CAMP_RECEPTOR_PROTEIN . . . . . 100.00 209 100.00 100.00 1.26e-151 . . . . 19145 1 3 no BMRB 4388 . "Cyclic AMP Receptor Protein" . . . . . 100.00 209 99.04 99.04 8.40e-150 . . . . 19145 1 4 no PDB 1CGP . "Catabolite Gene Activator Protein (Cap)DNA COMPLEX + Adenosine-3',5'-Cyclic-Monophosphate" . . . . . 98.09 205 99.02 99.02 2.94e-146 . . . . 19145 1 5 no PDB 1G6N . "2.1 Angstrom Structure Of Cap-Camp" . . . . . 100.00 210 99.04 99.04 6.55e-150 . . . . 19145 1 6 no PDB 1HW5 . "The CapCRP VARIANT T127LS128A" . . . . . 100.00 210 99.52 99.52 7.19e-151 . . . . 19145 1 7 no PDB 1I5Z . "Structure Of Crp-Camp At 1.9 A" . . . . . 100.00 209 99.04 99.04 8.40e-150 . . . . 19145 1 8 no PDB 1I6X . "Structure Of A Star Mutant Crp-Camp At 2.2 A" . . . . . 100.00 209 98.56 98.56 1.03e-148 . . . . 19145 1 9 no PDB 1J59 . "Catabolite Gene Activator Protein (Cap)DNA COMPLEX + Adenosine-3',5'-Cyclic-Monophosphate" . . . . . 100.00 209 99.04 99.04 8.40e-150 . . . . 19145 1 10 no 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 8.40e-150 . . . . 19145 1 11 no PDB 1O3Q . "Protein-Dna Recognition And Dna Deformation Revealed In Crystal Structures Of Cap-Dna Complexes" . . . . . 95.69 200 99.00 99.00 8.80e-143 . . . . 19145 1 12 no PDB 1O3R . "Protein-Dna Recognition And Dna Deformation Revealed In Crystal Structures Of Cap-Dna Complexes" . . . . . 95.69 200 99.00 99.00 8.80e-143 . . . . 19145 1 13 no PDB 1O3S . "Protein-Dna Recognition And Dna Deformation Revealed In Crystal Structures Of Cap-Dna Complexes" . . . . . 95.69 200 98.50 99.00 3.03e-142 . . . . 19145 1 14 no PDB 1O3T . "Protein-Dna Recognition And Dna Deformation Revealed In Crystal Structures Of Cap-Dna Complexes" . . . . . 95.69 200 99.00 99.00 8.80e-143 . . . . 19145 1 15 no PDB 1RUN . "Catabolite Gene Activator Protein (Cap)DNA COMPLEX + Adenosine-3',5'-Cyclic-Monophosphate" . . . . . 100.00 209 99.04 99.04 8.40e-150 . . . . 19145 1 16 no PDB 1RUO . "Catabolite Gene Activator Protein (Cap) MutantDNA COMPLEX + Adenosine-3',5'-Cyclic-Monophosphate" . . . . . 100.00 209 98.56 98.56 1.35e-148 . . . . 19145 1 17 no 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 8.40e-150 . . . . 19145 1 18 no 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 8.40e-150 . . . . 19145 1 19 no 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 8.40e-150 . . . . 19145 1 20 no 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 8.40e-150 . . . . 19145 1 21 no PDB 2CGP . "Catabolite Gene Activator ProteinDNA COMPLEX, ADENOSINE-3', 5'-Cyclic-Monophosphate" . . . . . 100.00 210 99.04 99.04 6.55e-150 . . . . 19145 1 22 no PDB 2GZW . "Crystal Structure Of The E.coli Crp-camp Complex" . . . . . 100.00 209 99.04 99.04 8.40e-150 . . . . 19145 1 23 no PDB 2WC2 . "Nmr Structure Of Catabolite Activator Protein In The Unliganded State" . . . . . 100.00 209 99.04 99.04 8.40e-150 . . . . 19145 1 24 no PDB 3FWE . "Crystal Structure Of The Apo D138l Cap Mutant" . . . . . 100.00 210 98.56 98.56 1.78e-148 . . . . 19145 1 25 no PDB 3HIF . "The Crystal Structure Of Apo Wild Type Cap At 3.6 A Resolution." . . . . . 100.00 210 99.04 99.04 6.55e-150 . . . . 19145 1 26 no PDB 3IYD . "Three-Dimensional Em Structure Of An Intact Activator-Dependent Transcription Initiation Complex" . . . . . 100.00 209 99.04 99.04 8.40e-150 . . . . 19145 1 27 no PDB 3KCC . "Crystal Structure Of D138l Mutant Of Catabolite Gene Activator Protein" . . . . . 100.00 260 98.56 98.56 9.95e-148 . . . . 19145 1 28 no PDB 3N4M . "E. Coli Rna Polymerase Alpha Subunit C-Terminal Domain In Complex With Cap And Dna" . . . . . 100.00 209 99.04 99.04 8.40e-150 . . . . 19145 1 29 no PDB 3QOP . "Domain-Domain Flexibility Leads To Allostery Within The Camp Receptor Protein (Crp)" . . . . . 100.00 210 98.56 98.56 6.45e-149 . . . . 19145 1 30 no PDB 3RDI . "Domain-Domain Flexibility Leads To Allostery Within The Camp Receptor Protein (Crp)" . . . . . 100.00 210 98.56 98.56 6.45e-149 . . . . 19145 1 31 no PDB 3ROU . "Domain-Domain Flexibility Leads To Allostery Within The Camp Receptor Protein (Crp)" . . . . . 100.00 210 98.56 98.56 6.45e-149 . . . . 19145 1 32 no PDB 3RPQ . "Domain-Domain Flexibility Leads To Allostery Within The Camp Receptor Protein (Crp)" . . . . . 100.00 210 98.56 98.56 6.45e-149 . . . . 19145 1 33 no PDB 3RYP . "Domain-Domain Flexibility Leads To Allostery Within The Camp Receptor Protein (Crp)" . . . . . 100.00 210 99.04 99.04 6.55e-150 . . . . 19145 1 34 no PDB 3RYR . "Domain-Domain Flexibility Leads To Allostery Within The Camp Receptor Protein (Crp)" . . . . . 100.00 210 99.04 99.04 6.55e-150 . . . . 19145 1 35 no PDB 4BH9 . "A Structural Model Of Cap Mutant (t127l And S128i) In The Apo State" . . . . . 100.00 209 100.00 100.00 1.26e-151 . . . . 19145 1 36 no PDB 4BHP . "A Structural Model Of Cap Mutant (t127l And S128i) In Cgmp- Bound State" . . . . . 99.52 209 100.00 100.00 6.15e-151 . . . . 19145 1 37 no PDB 4FT8 . "E. Coli Catabolite Activator Protein With Cobalt And Sulfate Ligands" . . . . . 100.00 209 99.04 99.04 8.40e-150 . . . . 19145 1 38 no PDB 4HZF . "Structure Of The Wild Type Catabolite Gene Activator Protein" . . . . . 100.00 222 99.04 99.04 1.75e-149 . . . . 19145 1 39 no PDB 4I01 . "Structure Of The Mutant Catabolite Gen Activator Protein V140l" . . . . . 100.00 222 98.56 99.04 6.04e-149 . . . . 19145 1 40 no PDB 4I02 . "Structure Of The Mutant Catabolite Gene Activator Protein V140a" . . . . . 100.00 222 98.56 98.56 6.88e-149 . . . . 19145 1 41 no PDB 4I09 . "Structure Of The Mutant Catabolite Gene Activator Protein V132l" . . . . . 100.00 222 98.56 99.04 6.04e-149 . . . . 19145 1 42 no PDB 4I0A . "Structure Of The Mutant Catabolite Gene Activator Protein V132a" . . . . . 100.00 222 98.56 98.56 6.88e-149 . . . . 19145 1 43 no PDB 4I0B . "Structure Of The Mutant Catabolite Gene Activator Protein H160l" . . . . . 100.00 222 98.56 98.56 9.92e-148 . . . . 19145 1 44 no PDB 4N9I . "Crystal Structure Of Transcription Regulation Protein Crp Complexed With Cgmp" . . . . . 100.00 210 99.04 99.04 6.55e-150 . . . . 19145 1 45 no 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 1.75e-149 . . . . 19145 1 46 no DBJ BAB37631 . "cyclic AMP receptor protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 210 99.04 99.04 6.55e-150 . . . . 19145 1 47 no DBJ BAC10627 . "CRP [Pectobacterium carotovorum subsp. carotovorum]" . . . . . 100.00 210 98.56 98.56 5.65e-149 . . . . 19145 1 48 no DBJ BAE75576 . "cAMP-regulatory protein [Sodalis glossinidius str. 'morsitans']" . . . . . 100.00 210 98.09 98.56 1.24e-148 . . . . 19145 1 49 no DBJ BAE77933 . "DNA-binding transcriptional dual regulator [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 210 98.56 98.56 4.59e-149 . . . . 19145 1 50 no DBJ BAG79143 . "cyclic AMP receptor protein [Escherichia coli SE11]" . . . . . 100.00 210 98.56 98.56 7.51e-149 . . . . 19145 1 51 no EMBL CAA04867 . "catabolite gene activator protein; cyclic AMP receptor protein [Escherichia coli]" . . . . . 100.00 210 98.09 99.04 5.97e-149 . . . . 19145 1 52 no EMBL CAA61609 . "CRP regulatory protein [Dickeya chrysanthemi]" . . . . . 100.00 210 97.13 98.56 8.33e-148 . . . . 19145 1 53 no EMBL CAC07215 . "cAMP receptor protein [Klebsiella pneumoniae]" . . . . . 100.00 210 97.61 98.56 1.39e-147 . . . . 19145 1 54 no EMBL CAD08147 . "cyclic AMP receptor protein,catabolite gene activator [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 210 98.09 98.56 9.15e-149 . . . . 19145 1 55 no EMBL CAE12690 . "Catabolite gene activator (cAMP receptor protein) (cAMP-regulatory protein) [Photorhabdus luminescens subsp. laumondii TTO1]" . . . . . 100.00 210 97.13 98.09 1.73e-147 . . . . 19145 1 56 no GB AAA23601 . "cAMP receptor protein (crp) [Escherichia coli]" . . . . . 100.00 210 99.04 99.04 6.55e-150 . . . . 19145 1 57 no GB AAA25058 . "catabolite activator protein [Enterobacter aerogenes]" . . . . . 100.00 210 98.56 99.04 1.66e-149 . . . . 19145 1 58 no GB AAA26515 . "catabolite gene activator protein [Shigella flexneri]" . . . . . 100.00 210 99.04 99.04 6.55e-150 . . . . 19145 1 59 no GB AAA27039 . "catabolite gene activator protein [Salmonella enterica subsp. enterica serovar Typhimurium]" . . . . . 100.00 210 98.56 99.04 1.66e-149 . . . . 19145 1 60 no GB AAA58154 . "cyclic AMP receptor protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 210 99.04 99.04 6.55e-150 . . . . 19145 1 61 no PIR A44903 . "cAMP receptor protein - Klebsiella pneumoniae" . . . . . 100.00 210 98.56 99.04 1.66e-149 . . . . 19145 1 62 no 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 9.15e-149 . . . . 19145 1 63 no REF NP_312235 . "cAMP-regulatory protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 210 99.04 99.04 6.55e-150 . . . . 19145 1 64 no 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 6.55e-150 . . . . 19145 1 65 no 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 9.15e-149 . . . . 19145 1 66 no REF NP_462369 . "cAMP-activated global transcriptional regulator [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 100.00 210 98.56 99.04 1.66e-149 . . . . 19145 1 67 no REF NP_709132 . "DNA-binding transcriptional dual regulator Crp [Shigella flexneri 2a str. 301]" . . . . . 100.00 210 99.04 99.04 6.55e-150 . . . . 19145 1 68 no 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 1.66e-149 . . . . 19145 1 69 no 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 1.66e-149 . . . . 19145 1 70 no 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 6.55e-150 . . . . 19145 1 71 no 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 6.55e-150 . . . . 19145 1 72 no 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 6.55e-150 . . . . 19145 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . VAL . 19145 1 2 . LEU . 19145 1 3 . GLY . 19145 1 4 . LYS . 19145 1 5 . PRO . 19145 1 6 . GLN . 19145 1 7 . THR . 19145 1 8 . ASP . 19145 1 9 . PRO . 19145 1 10 . THR . 19145 1 11 . LEU . 19145 1 12 . GLU . 19145 1 13 . TRP . 19145 1 14 . PHE . 19145 1 15 . LEU . 19145 1 16 . SER . 19145 1 17 . HIS . 19145 1 18 . CYS . 19145 1 19 . HIS . 19145 1 20 . ILE . 19145 1 21 . HIS . 19145 1 22 . LYS . 19145 1 23 . TYR . 19145 1 24 . PRO . 19145 1 25 . SER . 19145 1 26 . LYS . 19145 1 27 . SER . 19145 1 28 . THR . 19145 1 29 . LEU . 19145 1 30 . ILE . 19145 1 31 . HIS . 19145 1 32 . GLN . 19145 1 33 . GLY . 19145 1 34 . GLU . 19145 1 35 . LYS . 19145 1 36 . ALA . 19145 1 37 . GLU . 19145 1 38 . THR . 19145 1 39 . LEU . 19145 1 40 . TYR . 19145 1 41 . TYR . 19145 1 42 . ILE . 19145 1 43 . VAL . 19145 1 44 . LYS . 19145 1 45 . GLY . 19145 1 46 . SER . 19145 1 47 . VAL . 19145 1 48 . ALA . 19145 1 49 . VAL . 19145 1 50 . LEU . 19145 1 51 . ILE . 19145 1 52 . LYS . 19145 1 53 . ASP . 19145 1 54 . GLU . 19145 1 55 . GLU . 19145 1 56 . GLY . 19145 1 57 . LYS . 19145 1 58 . GLU . 19145 1 59 . MET . 19145 1 60 . ILE . 19145 1 61 . LEU . 19145 1 62 . SER . 19145 1 63 . TYR . 19145 1 64 . LEU . 19145 1 65 . ASN . 19145 1 66 . GLN . 19145 1 67 . GLY . 19145 1 68 . ASP . 19145 1 69 . PHE . 19145 1 70 . ILE . 19145 1 71 . GLY . 19145 1 72 . GLU . 19145 1 73 . LEU . 19145 1 74 . GLY . 19145 1 75 . LEU . 19145 1 76 . PHE . 19145 1 77 . GLU . 19145 1 78 . GLU . 19145 1 79 . GLY . 19145 1 80 . GLN . 19145 1 81 . GLU . 19145 1 82 . ARG . 19145 1 83 . SER . 19145 1 84 . ALA . 19145 1 85 . TRP . 19145 1 86 . VAL . 19145 1 87 . ARG . 19145 1 88 . ALA . 19145 1 89 . LYS . 19145 1 90 . THR . 19145 1 91 . ALA . 19145 1 92 . CYS . 19145 1 93 . GLU . 19145 1 94 . VAL . 19145 1 95 . ALA . 19145 1 96 . GLU . 19145 1 97 . ILE . 19145 1 98 . SER . 19145 1 99 . TYR . 19145 1 100 . LYS . 19145 1 101 . LYS . 19145 1 102 . PHE . 19145 1 103 . ARG . 19145 1 104 . GLN . 19145 1 105 . LEU . 19145 1 106 . ILE . 19145 1 107 . GLN . 19145 1 108 . VAL . 19145 1 109 . ASN . 19145 1 110 . PRO . 19145 1 111 . ASP . 19145 1 112 . ILE . 19145 1 113 . LEU . 19145 1 114 . MET . 19145 1 115 . ARG . 19145 1 116 . LEU . 19145 1 117 . SER . 19145 1 118 . ALA . 19145 1 119 . GLN . 19145 1 120 . MET . 19145 1 121 . ALA . 19145 1 122 . ARG . 19145 1 123 . ARG . 19145 1 124 . LEU . 19145 1 125 . GLN . 19145 1 126 . VAL . 19145 1 127 . LEU . 19145 1 128 . ILE . 19145 1 129 . GLU . 19145 1 130 . LYS . 19145 1 131 . VAL . 19145 1 132 . GLY . 19145 1 133 . ASN . 19145 1 134 . LEU . 19145 1 135 . ALA . 19145 1 136 . PHE . 19145 1 137 . LEU . 19145 1 138 . ASP . 19145 1 139 . VAL . 19145 1 140 . THR . 19145 1 141 . GLY . 19145 1 142 . ARG . 19145 1 143 . ILE . 19145 1 144 . ALA . 19145 1 145 . GLN . 19145 1 146 . THR . 19145 1 147 . LEU . 19145 1 148 . LEU . 19145 1 149 . ASN . 19145 1 150 . LEU . 19145 1 151 . ALA . 19145 1 152 . LYS . 19145 1 153 . GLN . 19145 1 154 . PRO . 19145 1 155 . ASP . 19145 1 156 . ALA . 19145 1 157 . MET . 19145 1 158 . THR . 19145 1 159 . HIS . 19145 1 160 . PRO . 19145 1 161 . ASP . 19145 1 162 . GLY . 19145 1 163 . MET . 19145 1 164 . GLN . 19145 1 165 . ILE . 19145 1 166 . LYS . 19145 1 167 . ILE . 19145 1 168 . THR . 19145 1 169 . ARG . 19145 1 170 . GLN . 19145 1 171 . GLU . 19145 1 172 . ILE . 19145 1 173 . GLY . 19145 1 174 . GLN . 19145 1 175 . ILE . 19145 1 176 . VAL . 19145 1 177 . GLY . 19145 1 178 . CYS . 19145 1 179 . SER . 19145 1 180 . ARG . 19145 1 181 . GLU . 19145 1 182 . THR . 19145 1 183 . VAL . 19145 1 184 . GLY . 19145 1 185 . ARG . 19145 1 186 . ILE . 19145 1 187 . LEU . 19145 1 188 . LYS . 19145 1 189 . MET . 19145 1 190 . LEU . 19145 1 191 . GLU . 19145 1 192 . ASP . 19145 1 193 . GLN . 19145 1 194 . ASN . 19145 1 195 . LEU . 19145 1 196 . ILE . 19145 1 197 . SER . 19145 1 198 . ALA . 19145 1 199 . HIS . 19145 1 200 . GLY . 19145 1 201 . LYS . 19145 1 202 . THR . 19145 1 203 . ILE . 19145 1 204 . VAL . 19145 1 205 . VAL . 19145 1 206 . TYR . 19145 1 207 . GLY . 19145 1 208 . THR . 19145 1 209 . ARG . 19145 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . VAL 1 1 19145 1 . LEU 2 2 19145 1 . GLY 3 3 19145 1 . LYS 4 4 19145 1 . PRO 5 5 19145 1 . GLN 6 6 19145 1 . THR 7 7 19145 1 . ASP 8 8 19145 1 . PRO 9 9 19145 1 . THR 10 10 19145 1 . LEU 11 11 19145 1 . GLU 12 12 19145 1 . TRP 13 13 19145 1 . PHE 14 14 19145 1 . LEU 15 15 19145 1 . SER 16 16 19145 1 . HIS 17 17 19145 1 . CYS 18 18 19145 1 . HIS 19 19 19145 1 . ILE 20 20 19145 1 . HIS 21 21 19145 1 . LYS 22 22 19145 1 . TYR 23 23 19145 1 . PRO 24 24 19145 1 . SER 25 25 19145 1 . LYS 26 26 19145 1 . SER 27 27 19145 1 . THR 28 28 19145 1 . LEU 29 29 19145 1 . ILE 30 30 19145 1 . HIS 31 31 19145 1 . GLN 32 32 19145 1 . GLY 33 33 19145 1 . GLU 34 34 19145 1 . LYS 35 35 19145 1 . ALA 36 36 19145 1 . GLU 37 37 19145 1 . THR 38 38 19145 1 . LEU 39 39 19145 1 . TYR 40 40 19145 1 . TYR 41 41 19145 1 . ILE 42 42 19145 1 . VAL 43 43 19145 1 . LYS 44 44 19145 1 . GLY 45 45 19145 1 . SER 46 46 19145 1 . VAL 47 47 19145 1 . ALA 48 48 19145 1 . VAL 49 49 19145 1 . LEU 50 50 19145 1 . ILE 51 51 19145 1 . LYS 52 52 19145 1 . ASP 53 53 19145 1 . GLU 54 54 19145 1 . GLU 55 55 19145 1 . GLY 56 56 19145 1 . LYS 57 57 19145 1 . GLU 58 58 19145 1 . MET 59 59 19145 1 . ILE 60 60 19145 1 . LEU 61 61 19145 1 . SER 62 62 19145 1 . TYR 63 63 19145 1 . LEU 64 64 19145 1 . ASN 65 65 19145 1 . GLN 66 66 19145 1 . GLY 67 67 19145 1 . ASP 68 68 19145 1 . PHE 69 69 19145 1 . ILE 70 70 19145 1 . GLY 71 71 19145 1 . GLU 72 72 19145 1 . LEU 73 73 19145 1 . GLY 74 74 19145 1 . LEU 75 75 19145 1 . PHE 76 76 19145 1 . GLU 77 77 19145 1 . GLU 78 78 19145 1 . GLY 79 79 19145 1 . GLN 80 80 19145 1 . GLU 81 81 19145 1 . ARG 82 82 19145 1 . SER 83 83 19145 1 . ALA 84 84 19145 1 . TRP 85 85 19145 1 . VAL 86 86 19145 1 . ARG 87 87 19145 1 . ALA 88 88 19145 1 . LYS 89 89 19145 1 . THR 90 90 19145 1 . ALA 91 91 19145 1 . CYS 92 92 19145 1 . GLU 93 93 19145 1 . VAL 94 94 19145 1 . ALA 95 95 19145 1 . GLU 96 96 19145 1 . ILE 97 97 19145 1 . SER 98 98 19145 1 . TYR 99 99 19145 1 . LYS 100 100 19145 1 . LYS 101 101 19145 1 . PHE 102 102 19145 1 . ARG 103 103 19145 1 . GLN 104 104 19145 1 . LEU 105 105 19145 1 . ILE 106 106 19145 1 . GLN 107 107 19145 1 . VAL 108 108 19145 1 . ASN 109 109 19145 1 . PRO 110 110 19145 1 . ASP 111 111 19145 1 . ILE 112 112 19145 1 . LEU 113 113 19145 1 . MET 114 114 19145 1 . ARG 115 115 19145 1 . LEU 116 116 19145 1 . SER 117 117 19145 1 . ALA 118 118 19145 1 . GLN 119 119 19145 1 . MET 120 120 19145 1 . ALA 121 121 19145 1 . ARG 122 122 19145 1 . ARG 123 123 19145 1 . LEU 124 124 19145 1 . GLN 125 125 19145 1 . VAL 126 126 19145 1 . LEU 127 127 19145 1 . ILE 128 128 19145 1 . GLU 129 129 19145 1 . LYS 130 130 19145 1 . VAL 131 131 19145 1 . GLY 132 132 19145 1 . ASN 133 133 19145 1 . LEU 134 134 19145 1 . ALA 135 135 19145 1 . PHE 136 136 19145 1 . LEU 137 137 19145 1 . ASP 138 138 19145 1 . VAL 139 139 19145 1 . THR 140 140 19145 1 . GLY 141 141 19145 1 . ARG 142 142 19145 1 . ILE 143 143 19145 1 . ALA 144 144 19145 1 . GLN 145 145 19145 1 . THR 146 146 19145 1 . LEU 147 147 19145 1 . LEU 148 148 19145 1 . ASN 149 149 19145 1 . LEU 150 150 19145 1 . ALA 151 151 19145 1 . LYS 152 152 19145 1 . GLN 153 153 19145 1 . PRO 154 154 19145 1 . ASP 155 155 19145 1 . ALA 156 156 19145 1 . MET 157 157 19145 1 . THR 158 158 19145 1 . HIS 159 159 19145 1 . PRO 160 160 19145 1 . ASP 161 161 19145 1 . GLY 162 162 19145 1 . MET 163 163 19145 1 . GLN 164 164 19145 1 . ILE 165 165 19145 1 . LYS 166 166 19145 1 . ILE 167 167 19145 1 . THR 168 168 19145 1 . ARG 169 169 19145 1 . GLN 170 170 19145 1 . GLU 171 171 19145 1 . ILE 172 172 19145 1 . GLY 173 173 19145 1 . GLN 174 174 19145 1 . ILE 175 175 19145 1 . VAL 176 176 19145 1 . GLY 177 177 19145 1 . CYS 178 178 19145 1 . SER 179 179 19145 1 . ARG 180 180 19145 1 . GLU 181 181 19145 1 . THR 182 182 19145 1 . VAL 183 183 19145 1 . GLY 184 184 19145 1 . ARG 185 185 19145 1 . ILE 186 186 19145 1 . LEU 187 187 19145 1 . LYS 188 188 19145 1 . MET 189 189 19145 1 . LEU 190 190 19145 1 . GLU 191 191 19145 1 . ASP 192 192 19145 1 . GLN 193 193 19145 1 . ASN 194 194 19145 1 . LEU 195 195 19145 1 . ILE 196 196 19145 1 . SER 197 197 19145 1 . ALA 198 198 19145 1 . HIS 199 199 19145 1 . GLY 200 200 19145 1 . LYS 201 201 19145 1 . THR 202 202 19145 1 . ILE 203 203 19145 1 . VAL 204 204 19145 1 . VAL 205 205 19145 1 . TYR 206 206 19145 1 . GLY 207 207 19145 1 . THR 208 208 19145 1 . ARG 209 209 19145 1 stop_ save_ save_entity_PCG _Entity.Sf_category entity _Entity.Sf_framecode entity_PCG _Entity.Entry_ID 19145 _Entity.ID 2 _Entity.BMRB_code PCG _Entity.Name entity_PCG _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID PCG _Entity.Nonpolymer_comp_label $chem_comp_PCG _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 345.205 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CYCLIC GUANOSINE MONOPHOSPHATE' BMRB 19145 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'CYCLIC GUANOSINE MONOPHOSPHATE' BMRB 19145 2 PCG 'Three letter code' 19145 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 PCG $chem_comp_PCG 19145 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 PCG C1' 19145 2 2 1 PCG C2 19145 2 3 1 PCG C2' 19145 2 4 1 PCG C3' 19145 2 5 1 PCG C4 19145 2 6 1 PCG C4' 19145 2 7 1 PCG C5 19145 2 8 1 PCG C5' 19145 2 9 1 PCG C6 19145 2 10 1 PCG C8 19145 2 11 1 PCG H1' 19145 2 12 1 PCG H2' 19145 2 13 1 PCG H3' 19145 2 14 1 PCG H4' 19145 2 15 1 PCG H5'1 19145 2 16 1 PCG H5'2 19145 2 17 1 PCG H8 19145 2 18 1 PCG HN1 19145 2 19 1 PCG HN21 19145 2 20 1 PCG HN22 19145 2 21 1 PCG HO1A 19145 2 22 1 PCG HO2' 19145 2 23 1 PCG N1 19145 2 24 1 PCG N2 19145 2 25 1 PCG N3 19145 2 26 1 PCG N7 19145 2 27 1 PCG N9 19145 2 28 1 PCG O1A 19145 2 29 1 PCG O2' 19145 2 30 1 PCG O2A 19145 2 31 1 PCG O3' 19145 2 32 1 PCG O4' 19145 2 33 1 PCG O5' 19145 2 34 1 PCG O6 19145 2 35 1 PCG PA 19145 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 19145 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $CAMP_RECEPTOR_PROTEIN . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 19145 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 19145 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $CAMP_RECEPTOR_PROTEIN . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19145 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_PCG _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_PCG _Chem_comp.Entry_ID 19145 _Chem_comp.ID PCG _Chem_comp.Provenance PDB _Chem_comp.Name 'CYCLIC GUANOSINE MONOPHOSPHATE' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code PCG _Chem_comp.PDB_code PCG _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code PCG _Chem_comp.Number_atoms_all 35 _Chem_comp.Number_atoms_nh 23 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C10 H12 N5 O7 P' _Chem_comp.Formula_weight 345.205 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1BE4 _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID c1nc2c(n1C3C(C4C(O3)COP(=O)(O4)O)O)N=C(NC2=O)N SMILES 'OpenEye OEToolkits' 1.5.0 19145 PCG c1nc2c(n1[C@H]3[C@@H]([C@H]4C(O3)CO[P@](=O)(O4)O)O)N=C(NC2=O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 19145 PCG InChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1 InChI InChI 1.03 19145 PCG NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@@H]4CO[P@](O)(=O)O[C@H]4[C@H]3O SMILES_CANONICAL CACTVS 3.341 19145 PCG NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH]4CO[P](O)(=O)O[CH]4[CH]3O SMILES CACTVS 3.341 19145 PCG O=C4NC(=Nc1c4ncn1C3OC2COP(=O)(OC2C3O)O)N SMILES ACDLabs 10.04 19145 PCG ZOOGRGPOEVQQDX-UUOKFMHZSA-N InChIKey InChI 1.03 19145 PCG stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID 2-amino-9-[(2R,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-1,9-dihydro-6H-purin-6-one 'SYSTEMATIC NAME' ACDLabs 10.04 19145 PCG 2-amino-9-[(4R,6S,7R,8R)-4,7-dihydroxy-4-oxo-3,5,9-trioxa-4$l^{5}-phosphabicyclo[4.3.0]nonan-8-yl]-1H-purin-6-one 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 19145 PCG stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID PA PA PA PA . P . . R 0 . . . 1 no no . . . . 19.792 . 82.357 . 15.685 . 0.069 0.439 4.367 1 . 19145 PCG O1A O1A O1A O1A . O . . N 0 . . . 1 no no . . . . 20.079 . 83.173 . 16.893 . 0.948 0.740 5.682 2 . 19145 PCG O2A O2A O2A O2A . O . . N 0 . . . 1 no no . . . . 20.667 . 82.805 . 14.579 . -1.083 1.366 4.330 3 . 19145 PCG O5' O5' O5' O5* . O . . N 0 . . . 1 no no . . . . 18.460 . 82.512 . 15.037 . -0.470 -1.072 4.427 4 . 19145 PCG C5' C5' C5' C5* . C . . N 0 . . . 1 no no . . . . 17.270 . 81.875 . 15.508 . -1.161 -1.359 3.204 5 . 19145 PCG C4' C4' C4' C4* . C . . R 0 . . . 1 no no . . . . 17.689 . 80.972 . 16.617 . -0.181 -1.165 2.062 6 . 19145 PCG O4' O4' O4' O4* . O . . N 0 . . . 1 no no . . . . 16.757 . 80.630 . 17.619 . -0.675 -1.474 0.759 7 . 19145 PCG C3' C3' C3' C3* . C . . S 0 . . . 1 no no . . . . 18.974 . 80.135 . 16.722 . 0.149 0.347 1.958 8 . 19145 PCG O3' O3' O3' O3* . O . . N 0 . . . 1 no no . . . . 20.020 . 80.947 . 16.183 . 0.981 0.674 3.053 9 . 19145 PCG C2' C2' C2' C2* . C . . R 0 . . . 1 no no . . . . 18.902 . 79.921 . 18.269 . 0.820 0.410 0.575 10 . 19145 PCG O2' O2' O2' O2* . O . . N 0 . . . 1 no no . . . . 19.145 . 81.067 . 19.087 . 2.239 0.293 0.698 11 . 19145 PCG C1' C1' C1' C1* . C . . R 0 . . . 1 no no . . . . 17.375 . 79.639 . 18.439 . 0.218 -0.809 -0.164 12 . 19145 PCG N9 N9 N9 N9 . N . . N 0 . . . 1 yes no . . . . 16.911 . 78.432 . 17.754 . -0.527 -0.360 -1.343 13 . 19145 PCG C8 C8 C8 C8 . C . . N 0 . . . 1 yes no . . . . 16.818 . 77.952 . 16.446 . -1.849 -0.024 -1.382 14 . 19145 PCG N7 N7 N7 N7 . N . . N 0 . . . 1 yes no . . . . 16.332 . 76.742 . 16.412 . -2.179 0.328 -2.590 15 . 19145 PCG C5 C5 C5 C5 . C . . N 0 . . . 1 yes no . . . . 16.030 . 76.436 . 17.766 . -1.092 0.240 -3.395 16 . 19145 PCG C6 C6 C6 C6 . C . . N 0 . . . 1 no no . . . . 15.457 . 75.237 . 18.300 . -0.861 0.492 -4.768 17 . 19145 PCG O6 O6 O6 O6 . O . . N 0 . . . 1 no no . . . . 15.058 . 74.211 . 17.675 . -1.762 0.877 -5.493 18 . 19145 PCG N1 N1 N1 N1 . N . . N 0 . . . 1 no no . . . . 15.393 . 75.373 . 19.705 . 0.385 0.299 -5.254 19 . 19145 PCG C2 C2 C2 C2 . C . . N 0 . . . 1 no no . . . . 15.750 . 76.505 . 20.466 . 1.383 -0.137 -4.435 20 . 19145 PCG N2 N2 N2 N2 . N . . N 0 . . . 1 no no . . . . 15.543 . 76.332 . 21.796 . 2.637 -0.330 -4.958 21 . 19145 PCG N3 N3 N3 N3 . N . . N 0 . . . 1 no no . . . . 16.221 . 77.690 . 19.980 . 1.181 -0.374 -3.159 22 . 19145 PCG C4 C4 C4 C4 . C . . N 0 . . . 1 yes no . . . . 16.332 . 77.525 . 18.617 . -0.024 -0.200 -2.605 23 . 19145 PCG HO1A HO1A HO1A AHO1 . H . . N 0 . . . 0 no no . . . . 19.517 . 82.885 . 17.603 . 0.366 0.612 6.443 24 . 19145 PCG H5'1 H5'1 H5'1 1H5* . H . . N 0 . . . 0 no no . . . . 16.469 . 82.593 . 15.800 . -2.004 -0.678 3.087 25 . 19145 PCG H5'2 H5'2 H5'2 2H5* . H . . N 0 . . . 0 no no . . . . 16.699 . 81.353 . 14.704 . -1.517 -2.390 3.214 26 . 19145 PCG H4' H4' H4' H4* . H . . N 0 . . . 1 no no . . . . 18.244 . 81.921 . 16.436 . 0.730 -1.731 2.257 27 . 19145 PCG H3' H3' H3' H3* . H . . N 0 . . . 1 no no . . . . 19.122 . 79.170 . 16.183 . -0.767 0.936 1.981 28 . 19145 PCG H2' H2' H2' H2* . H . . N 0 . . . 1 no no . . . . 19.661 . 79.164 . 18.576 . 0.555 1.334 0.061 29 . 19145 PCG HO2' HO2' HO2' *HO2 . H . . N 0 . . . 0 no no . . . . 19.101 . 80.937 . 20.027 . 2.601 0.340 -0.196 30 . 19145 PCG H1' H1' H1' H1* . H . . N 0 . . . 1 no no . . . . 17.159 . 79.591 . 19.531 . 1.013 -1.490 -0.466 31 . 19145 PCG H8 H8 H8 H8 . H . . N 0 . . . 1 no no . . . . 17.103 . 78.481 . 15.521 . -2.521 -0.048 -0.537 32 . 19145 PCG HN1 HN1 HN1 HN1 . H . . N 0 . . . 1 no no . . . . 15.051 . 74.565 . 20.226 . 0.568 0.464 -6.192 33 . 19145 PCG HN21 HN21 HN21 1HN2 . H . . N 0 . . . 0 no no . . . . 15.801 . 77.150 . 22.346 . 3.359 -0.636 -4.387 34 . 19145 PCG HN22 HN22 HN22 2HN2 . H . . N 0 . . . 0 no no . . . . 16.022 . 75.498 . 22.134 . 2.801 -0.163 -5.900 35 . 19145 PCG stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING PA O1A no N 1 . 19145 PCG 2 . DOUB PA O2A no N 2 . 19145 PCG 3 . SING PA O5' no N 3 . 19145 PCG 4 . SING PA O3' no N 4 . 19145 PCG 5 . SING O1A HO1A no N 5 . 19145 PCG 6 . SING O5' C5' no N 6 . 19145 PCG 7 . SING C5' C4' no N 7 . 19145 PCG 8 . SING C5' H5'1 no N 8 . 19145 PCG 9 . SING C5' H5'2 no N 9 . 19145 PCG 10 . SING C4' O4' no N 10 . 19145 PCG 11 . SING C4' C3' no N 11 . 19145 PCG 12 . SING C4' H4' no N 12 . 19145 PCG 13 . SING O4' C1' no N 13 . 19145 PCG 14 . SING C3' O3' no N 14 . 19145 PCG 15 . SING C3' C2' no N 15 . 19145 PCG 16 . SING C3' H3' no N 16 . 19145 PCG 17 . SING C2' O2' no N 17 . 19145 PCG 18 . SING C2' C1' no N 18 . 19145 PCG 19 . SING C2' H2' no N 19 . 19145 PCG 20 . SING O2' HO2' no N 20 . 19145 PCG 21 . SING C1' N9 no N 21 . 19145 PCG 22 . SING C1' H1' no N 22 . 19145 PCG 23 . SING N9 C8 yes N 23 . 19145 PCG 24 . SING N9 C4 yes N 24 . 19145 PCG 25 . DOUB C8 N7 yes N 25 . 19145 PCG 26 . SING C8 H8 no N 26 . 19145 PCG 27 . SING N7 C5 yes N 27 . 19145 PCG 28 . SING C5 C6 no N 28 . 19145 PCG 29 . DOUB C5 C4 yes N 29 . 19145 PCG 30 . DOUB C6 O6 no N 30 . 19145 PCG 31 . SING C6 N1 no N 31 . 19145 PCG 32 . SING N1 C2 no N 32 . 19145 PCG 33 . SING N1 HN1 no N 33 . 19145 PCG 34 . SING C2 N2 no N 34 . 19145 PCG 35 . DOUB C2 N3 no N 35 . 19145 PCG 36 . SING N2 HN21 no N 36 . 19145 PCG 37 . SING N2 HN22 no N 37 . 19145 PCG 38 . SING N3 C4 no N 38 . 19145 PCG stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19145 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 0.2mM _Sample.Aggregate_sample_number . _Sample.Solvent_system '10% water/90% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'CAMP RECEPTOR PROTEIN' '[U-13C; U-15N]' . . 1 $CAMP_RECEPTOR_PROTEIN . . 0.2 . . mM . . . . 19145 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19145 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'pH [6.0], temp [305], pressure [0.0], ionStrength [500.0]' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 500.000 . mM 19145 1 pH 6.000 . pH 19145 1 pressure 1 . atm 19145 1 temperature 305.000 . K 19145 1 stop_ save_ ############################ # Computer software used # ############################ save_AutoDep _Software.Sf_category software _Software.Sf_framecode AutoDep _Software.Entry_ID 19145 _Software.ID 1 _Software.Name AutoDep _Software.Version 4.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID PDBe . . 19145 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19145 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 19145 _Software.ID 2 _Software.Name CARA _Software.Version any _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19145 2 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 19145 _Software.ID 3 _Software.Name CNS _Software.Version any _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 19145 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19145 3 stop_ save_ save_HADDOCK _Software.Sf_category software _Software.Sf_framecode HADDOCK _Software.Entry_ID 19145 _Software.ID 4 _Software.Name HADDOCK _Software.Version any _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift calculation' 19145 4 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19145 _Software.ID 5 _Software.Name NMRPipe _Software.Version any _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19145 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker_Avance-0 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_Avance-0 _NMR_spectrometer.Entry_ID 19145 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 save_ save_VARIAN_VNMRS-600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode VARIAN_VNMRS-600 _NMR_spectrometer.Entry_ID 19145 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer VARIAN _NMR_spectrometer.Model VNMRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_BRUKER_AVANCEIII-700 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode BRUKER_AVANCEIII-700 _NMR_spectrometer.Entry_ID 19145 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCEIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19145 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 Bruker_Avance-0 Bruker Avance . 0 . . . 19145 1 2 VARIAN_VNMRS-600 VARIAN VNMRS . 600 . . . 19145 1 3 BRUKER_AVANCEIII-700 Bruker AVANCEIII . 700 . . . 19145 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 19145 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 n/a no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-0 . . . . . . . . . . . . . . . . 19145 1 2 HNCA no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 2 $VARIAN_VNMRS-600 . . . . . . . . . . . . . . . . 19145 1 3 HNCACB no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 3 $BRUKER_AVANCEIII-700 . . . . . . . . . . . . . . . . 19145 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19145 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 external indirect 1 'separate NMR sample tube similar to the experimental one' cylindrical Parallel . . . . . . 19145 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 19145 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/4bhp/ebi/T127128N_cGMP_1.str.csh' _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 HNCA 1 $sample_1 solution 19145 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 VAL CA C 13 62.051 0.3 . 1 . 1 . . 1 VAL CA . 19145 1 2 . 1 1 1 1 VAL CB C 13 31.710 0.3 . 1 . 2 . . 1 VAL CB . 19145 1 3 . 1 1 1 1 VAL N N 15 125.678 0.3 . 1 . 3 . . 1 VAL N . 19145 1 4 . 1 1 2 2 LEU CA C 13 54.707 0.3 . 1 . 4 . . 2 LEU CA . 19145 1 5 . 1 1 2 2 LEU CB C 13 41.131 0.3 . 1 . 5 . . 2 LEU CB . 19145 1 6 . 1 1 2 2 LEU N N 15 125.531 0.3 . 1 . 6 . . 2 LEU N . 19145 1 7 . 1 1 3 3 GLY CA C 13 44.692 0.3 . 1 . 7 . . 3 GLY CA . 19145 1 8 . 1 1 3 3 GLY N N 15 110.121 0.3 . 1 . 8 . . 3 GLY N . 19145 1 9 . 1 1 4 4 LYS CA C 13 53.590 0.3 . 1 . 9 . . 4 LYS CA . 19145 1 10 . 1 1 4 4 LYS CB C 13 31.675 0.3 . 1 . 10 . . 4 LYS CB . 19145 1 11 . 1 1 4 4 LYS N N 15 122.324 0.3 . 1 . 11 . . 4 LYS N . 19145 1 12 . 1 1 6 6 GLN CA C 13 55.429 0.3 . 1 . 12 . . 6 GLN CA . 19145 1 13 . 1 1 6 6 GLN CB C 13 28.586 0.3 . 1 . 13 . . 6 GLN CB . 19145 1 14 . 1 1 6 6 GLN N N 15 120.921 0.3 . 1 . 14 . . 6 GLN N . 19145 1 15 . 1 1 7 7 THR CA C 13 61.384 0.3 . 1 . 15 . . 7 THR CA . 19145 1 16 . 1 1 7 7 THR CB C 13 69.396 0.3 . 1 . 16 . . 7 THR CB . 19145 1 17 . 1 1 7 7 THR N N 15 116.171 0.3 . 1 . 17 . . 7 THR N . 19145 1 18 . 1 1 8 8 ASP CA C 13 51.016 0.3 . 1 . 18 . . 8 ASP CA . 19145 1 19 . 1 1 8 8 ASP CB C 13 41.162 0.3 . 1 . 19 . . 8 ASP CB . 19145 1 20 . 1 1 8 8 ASP N N 15 124.003 0.3 . 1 . 20 . . 8 ASP N . 19145 1 21 . 1 1 10 10 THR CA C 13 66.338 0.3 . 1 . 21 . . 10 THR CA . 19145 1 22 . 1 1 10 10 THR N N 15 117.451 0.3 . 1 . 22 . . 10 THR N . 19145 1 23 . 1 1 11 11 LEU CA C 13 57.304 0.3 . 1 . 23 . . 11 LEU CA . 19145 1 24 . 1 1 11 11 LEU N N 15 123.994 0.3 . 1 . 24 . . 11 LEU N . 19145 1 25 . 1 1 12 12 GLU CA C 13 59.326 0.3 . 1 . 25 . . 12 GLU CA . 19145 1 26 . 1 1 12 12 GLU CB C 13 28.660 0.3 . 1 . 26 . . 12 GLU CB . 19145 1 27 . 1 1 12 12 GLU N N 15 119.074 0.3 . 1 . 27 . . 12 GLU N . 19145 1 28 . 1 1 13 13 TRP CA C 13 60.513 0.3 . 1 . 28 . . 13 TRP CA . 19145 1 29 . 1 1 13 13 TRP N N 15 121.359 0.3 . 1 . 29 . . 13 TRP N . 19145 1 30 . 1 1 14 14 PHE N N 15 123.704 0.3 . 1 . 30 . . 14 PHE N . 19145 1 31 . 1 1 15 15 LEU CA C 13 57.600 0.3 . 1 . 31 . . 15 LEU CA . 19145 1 32 . 1 1 15 15 LEU CB C 13 40.093 0.3 . 1 . 32 . . 15 LEU CB . 19145 1 33 . 1 1 15 15 LEU N N 15 119.914 0.3 . 1 . 33 . . 15 LEU N . 19145 1 34 . 1 1 16 16 SER CA C 13 60.419 0.3 . 1 . 34 . . 16 SER CA . 19145 1 35 . 1 1 16 16 SER CB C 13 62.051 0.3 . 1 . 35 . . 16 SER CB . 19145 1 36 . 1 1 16 16 SER N N 15 114.827 0.3 . 1 . 36 . . 16 SER N . 19145 1 37 . 1 1 17 17 HIS CA C 13 56.413 0.3 . 1 . 37 . . 17 HIS CA . 19145 1 38 . 1 1 17 17 HIS CB C 13 30.003 0.3 . 1 . 38 . . 17 HIS CB . 19145 1 39 . 1 1 17 17 HIS N N 15 118.569 0.3 . 1 . 39 . . 17 HIS N . 19145 1 40 . 1 1 18 18 CYS N N 15 116.914 0.3 . 1 . 40 . . 18 CYS N . 19145 1 41 . 1 1 19 19 HIS CA C 13 54.105 0.3 . 1 . 41 . . 19 HIS CA . 19145 1 42 . 1 1 19 19 HIS CB C 13 30.057 0.3 . 1 . 42 . . 19 HIS CB . 19145 1 43 . 1 1 19 19 HIS N N 15 118.636 0.3 . 1 . 43 . . 19 HIS N . 19145 1 44 . 1 1 20 20 ILE CA C 13 59.826 0.3 . 1 . 44 . . 20 ILE CA . 19145 1 45 . 1 1 20 20 ILE CB C 13 36.383 0.3 . 1 . 45 . . 20 ILE CB . 19145 1 46 . 1 1 20 20 ILE N N 15 126.925 0.3 . 1 . 46 . . 20 ILE N . 19145 1 47 . 1 1 21 21 HIS CA C 13 53.669 0.3 . 1 . 47 . . 21 HIS CA . 19145 1 48 . 1 1 21 21 HIS CB C 13 32.229 0.3 . 1 . 48 . . 21 HIS CB . 19145 1 49 . 1 1 21 21 HIS N N 15 127.223 0.3 . 1 . 49 . . 21 HIS N . 19145 1 50 . 1 1 22 22 LYS CA C 13 55.061 0.3 . 1 . 50 . . 22 LYS CA . 19145 1 51 . 1 1 22 22 LYS CB C 13 32.410 0.3 . 1 . 51 . . 22 LYS CB . 19145 1 52 . 1 1 22 22 LYS N N 15 123.700 0.3 . 1 . 52 . . 22 LYS N . 19145 1 53 . 1 1 23 23 TYR CA C 13 55.004 0.3 . 1 . 53 . . 23 TYR CA . 19145 1 54 . 1 1 23 23 TYR CB C 13 39.944 0.3 . 1 . 54 . . 23 TYR CB . 19145 1 55 . 1 1 23 23 TYR N N 15 122.958 0.3 . 1 . 55 . . 23 TYR N . 19145 1 56 . 1 1 25 25 SER CA C 13 59.934 0.3 . 1 . 56 . . 25 SER CA . 19145 1 57 . 1 1 25 25 SER N N 15 116.169 0.3 . 1 . 57 . . 25 SER N . 19145 1 58 . 1 1 26 26 LYS CA C 13 58.868 0.3 . 1 . 58 . . 26 LYS CA . 19145 1 59 . 1 1 26 26 LYS CB C 13 29.039 0.3 . 1 . 59 . . 26 LYS CB . 19145 1 60 . 1 1 26 26 LYS N N 15 116.971 0.3 . 1 . 60 . . 26 LYS N . 19145 1 61 . 1 1 27 27 SER CA C 13 59.084 0.3 . 1 . 61 . . 27 SER CA . 19145 1 62 . 1 1 27 27 SER CB C 13 64.054 0.3 . 1 . 62 . . 27 SER CB . 19145 1 63 . 1 1 27 27 SER N N 15 115.447 0.3 . 1 . 63 . . 27 SER N . 19145 1 64 . 1 1 28 28 THR CA C 13 63.290 0.3 . 1 . 64 . . 28 THR CA . 19145 1 65 . 1 1 28 28 THR CB C 13 68.078 0.3 . 1 . 65 . . 28 THR CB . 19145 1 66 . 1 1 28 28 THR N N 15 121.388 0.3 . 1 . 66 . . 28 THR N . 19145 1 67 . 1 1 29 29 LEU CA C 13 57.304 0.3 . 1 . 67 . . 29 LEU CA . 19145 1 68 . 1 1 29 29 LEU CB C 13 42.467 0.3 . 1 . 68 . . 29 LEU CB . 19145 1 69 . 1 1 29 29 LEU N N 15 128.231 0.3 . 1 . 69 . . 29 LEU N . 19145 1 70 . 1 1 31 31 HIS CA C 13 53.669 0.3 . 1 . 70 . . 31 HIS CA . 19145 1 71 . 1 1 31 31 HIS CB C 13 29.484 0.3 . 1 . 71 . . 31 HIS CB . 19145 1 72 . 1 1 31 31 HIS N N 15 125.399 0.3 . 1 . 72 . . 31 HIS N . 19145 1 73 . 1 1 32 32 GLN N N 15 118.765 0.3 . 1 . 73 . . 32 GLN N . 19145 1 74 . 1 1 33 33 GLY CA C 13 44.545 0.3 . 1 . 74 . . 33 GLY CA . 19145 1 75 . 1 1 33 33 GLY N N 15 114.011 0.3 . 1 . 75 . . 33 GLY N . 19145 1 76 . 1 1 34 34 GLU CA C 13 55.160 0.3 . 1 . 76 . . 34 GLU CA . 19145 1 77 . 1 1 34 34 GLU N N 15 118.793 0.3 . 1 . 77 . . 34 GLU N . 19145 1 78 . 1 1 35 35 LYS N N 15 122.020 0.3 . 1 . 78 . . 35 LYS N . 19145 1 79 . 1 1 36 36 ALA CA C 13 52.111 0.3 . 1 . 79 . . 36 ALA CA . 19145 1 80 . 1 1 36 36 ALA CB C 13 18.801 0.3 . 1 . 80 . . 36 ALA CB . 19145 1 81 . 1 1 36 36 ALA N N 15 128.816 0.3 . 1 . 81 . . 36 ALA N . 19145 1 82 . 1 1 38 38 THR N N 15 113.568 0.3 . 1 . 82 . . 38 THR N . 19145 1 83 . 1 1 39 39 LEU N N 15 126.956 0.3 . 1 . 83 . . 39 LEU N . 19145 1 84 . 1 1 40 40 TYR CA C 13 58.076 0.3 . 1 . 84 . . 40 TYR CA . 19145 1 85 . 1 1 40 40 TYR CB C 13 41.235 0.3 . 1 . 85 . . 40 TYR CB . 19145 1 86 . 1 1 40 40 TYR N N 15 120.831 0.3 . 1 . 86 . . 40 TYR N . 19145 1 87 . 1 1 43 43 VAL CA C 13 59.198 0.3 . 1 . 87 . . 43 VAL CA . 19145 1 88 . 1 1 43 43 VAL N N 15 118.333 0.3 . 1 . 88 . . 43 VAL N . 19145 1 89 . 1 1 44 44 LYS C C 13 174.586 0.3 . 1 . 89 . . 44 LYS C . 19145 1 90 . 1 1 44 44 LYS CA C 13 61.414 0.3 . 1 . 90 . . 44 LYS CA . 19145 1 91 . 1 1 44 44 LYS N N 15 116.530 0.3 . 1 . 91 . . 44 LYS N . 19145 1 92 . 1 1 45 45 GLY C C 13 174.140 0.3 . 1 . 92 . . 45 GLY C . 19145 1 93 . 1 1 45 45 GLY CA C 13 43.653 0.3 . 1 . 93 . . 45 GLY CA . 19145 1 94 . 1 1 45 45 GLY N N 15 112.843 0.3 . 1 . 94 . . 45 GLY N . 19145 1 95 . 1 1 46 46 SER C C 13 174.140 0.3 . 1 . 95 . . 46 SER C . 19145 1 96 . 1 1 46 46 SER CA C 13 56.413 0.3 . 1 . 96 . . 46 SER CA . 19145 1 97 . 1 1 46 46 SER CB C 13 65.761 0.3 . 1 . 97 . . 46 SER CB . 19145 1 98 . 1 1 46 46 SER N N 15 109.918 0.3 . 1 . 98 . . 46 SER N . 19145 1 99 . 1 1 47 47 VAL CA C 13 58.268 0.3 . 1 . 99 . . 47 VAL CA . 19145 1 100 . 1 1 47 47 VAL CB C 13 33.861 0.3 . 1 . 100 . . 47 VAL CB . 19145 1 101 . 1 1 47 47 VAL N N 15 115.662 0.3 . 1 . 101 . . 47 VAL N . 19145 1 102 . 1 1 50 50 LEU C C 13 174.222 0.3 . 1 . 102 . . 50 LEU C . 19145 1 103 . 1 1 50 50 LEU CA C 13 54.262 0.3 . 1 . 103 . . 50 LEU CA . 19145 1 104 . 1 1 50 50 LEU CB C 13 45.063 0.3 . 1 . 104 . . 50 LEU CB . 19145 1 105 . 1 1 50 50 LEU N N 15 126.550 0.3 . 1 . 105 . . 50 LEU N . 19145 1 106 . 1 1 51 51 ILE C C 13 174.276 0.3 . 1 . 106 . . 51 ILE C . 19145 1 107 . 1 1 51 51 ILE CA C 13 59.307 0.3 . 1 . 107 . . 51 ILE CA . 19145 1 108 . 1 1 51 51 ILE CB C 13 41.131 0.3 . 1 . 108 . . 51 ILE CB . 19145 1 109 . 1 1 51 51 ILE N N 15 114.805 0.3 . 1 . 109 . . 51 ILE N . 19145 1 110 . 1 1 52 52 LYS C C 13 176.509 0.3 . 1 . 110 . . 52 LYS C . 19145 1 111 . 1 1 52 52 LYS CA C 13 54.179 0.3 . 1 . 111 . . 52 LYS CA . 19145 1 112 . 1 1 52 52 LYS CB C 13 35.131 0.3 . 1 . 112 . . 52 LYS CB . 19145 1 113 . 1 1 52 52 LYS N N 15 120.271 0.3 . 1 . 113 . . 52 LYS N . 19145 1 114 . 1 1 53 53 ASP C C 13 178.340 0.3 . 1 . 114 . . 53 ASP C . 19145 1 115 . 1 1 53 53 ASP CA C 13 51.678 0.3 . 1 . 115 . . 53 ASP CA . 19145 1 116 . 1 1 53 53 ASP N N 15 123.021 0.3 . 1 . 116 . . 53 ASP N . 19145 1 117 . 1 1 54 54 GLU CA C 13 58.268 0.3 . 1 . 117 . . 54 GLU CA . 19145 1 118 . 1 1 54 54 GLU CB C 13 28.445 0.3 . 1 . 118 . . 54 GLU CB . 19145 1 119 . 1 1 54 54 GLU N N 15 117.762 0.3 . 1 . 119 . . 54 GLU N . 19145 1 120 . 1 1 55 55 GLU C C 13 177.462 0.3 . 1 . 120 . . 55 GLU C . 19145 1 121 . 1 1 55 55 GLU CA C 13 64.887 0.3 . 1 . 121 . . 55 GLU CA . 19145 1 122 . 1 1 55 55 GLU CB C 13 30.793 0.3 . 1 . 122 . . 55 GLU CB . 19145 1 123 . 1 1 55 55 GLU N N 15 117.323 0.3 . 1 . 123 . . 55 GLU N . 19145 1 124 . 1 1 56 56 GLY C C 13 174.702 0.3 . 1 . 124 . . 56 GLY C . 19145 1 125 . 1 1 56 56 GLY CA C 13 46.363 0.3 . 1 . 125 . . 56 GLY CA . 19145 1 126 . 1 1 56 56 GLY N N 15 108.514 0.3 . 1 . 126 . . 56 GLY N . 19145 1 127 . 1 1 57 57 LYS C C 13 176.212 0.3 . 1 . 127 . . 57 LYS C . 19145 1 128 . 1 1 57 57 LYS CA C 13 54.138 0.3 . 1 . 128 . . 57 LYS CA . 19145 1 129 . 1 1 57 57 LYS CB C 13 38.376 0.3 . 1 . 129 . . 57 LYS CB . 19145 1 130 . 1 1 57 57 LYS N N 15 119.056 0.3 . 1 . 130 . . 57 LYS N . 19145 1 131 . 1 1 58 58 GLU C C 13 176.141 0.3 . 1 . 131 . . 58 GLU C . 19145 1 132 . 1 1 58 58 GLU CA C 13 55.502 0.3 . 1 . 132 . . 58 GLU CA . 19145 1 133 . 1 1 58 58 GLU CB C 13 30.940 0.3 . 1 . 133 . . 58 GLU CB . 19145 1 134 . 1 1 58 58 GLU N N 15 121.721 0.3 . 1 . 134 . . 58 GLU N . 19145 1 135 . 1 1 59 59 MET C C 13 174.123 0.3 . 1 . 135 . . 59 MET C . 19145 1 136 . 1 1 59 59 MET CA C 13 54.039 0.3 . 1 . 136 . . 59 MET CA . 19145 1 137 . 1 1 59 59 MET CB C 13 34.158 0.3 . 1 . 137 . . 59 MET CB . 19145 1 138 . 1 1 59 59 MET N N 15 123.916 0.3 . 1 . 138 . . 59 MET N . 19145 1 139 . 1 1 60 60 ILE C C 13 176.036 0.3 . 1 . 139 . . 60 ILE C . 19145 1 140 . 1 1 60 60 ILE CA C 13 60.865 0.3 . 1 . 140 . . 60 ILE CA . 19145 1 141 . 1 1 60 60 ILE CB C 13 36.532 0.3 . 1 . 141 . . 60 ILE CB . 19145 1 142 . 1 1 60 60 ILE N N 15 125.552 0.3 . 1 . 142 . . 60 ILE N . 19145 1 143 . 1 1 61 61 LEU C C 13 177.100 0.3 . 1 . 143 . . 61 LEU C . 19145 1 144 . 1 1 61 61 LEU CA C 13 55.672 0.3 . 1 . 144 . . 61 LEU CA . 19145 1 145 . 1 1 61 61 LEU CB C 13 42.467 0.3 . 1 . 145 . . 61 LEU CB . 19145 1 146 . 1 1 61 61 LEU N N 15 128.713 0.3 . 1 . 146 . . 61 LEU N . 19145 1 147 . 1 1 62 62 SER C C 13 171.610 0.3 . 1 . 147 . . 62 SER C . 19145 1 148 . 1 1 62 62 SER CA C 13 57.201 0.3 . 1 . 148 . . 62 SER CA . 19145 1 149 . 1 1 62 62 SER CB C 13 65.250 0.3 . 1 . 149 . . 62 SER CB . 19145 1 150 . 1 1 62 62 SER N N 15 109.956 0.3 . 1 . 150 . . 62 SER N . 19145 1 151 . 1 1 63 63 TYR C C 13 178.770 0.3 . 1 . 151 . . 63 TYR C . 19145 1 152 . 1 1 63 63 TYR CA C 13 56.753 0.3 . 1 . 152 . . 63 TYR CA . 19145 1 153 . 1 1 63 63 TYR CB C 13 39.250 0.3 . 1 . 153 . . 63 TYR CB . 19145 1 154 . 1 1 63 63 TYR N N 15 119.431 0.3 . 1 . 154 . . 63 TYR N . 19145 1 155 . 1 1 64 64 LEU C C 13 175.410 0.3 . 1 . 155 . . 64 LEU C . 19145 1 156 . 1 1 64 64 LEU CA C 13 65.430 0.3 . 1 . 156 . . 64 LEU CA . 19145 1 157 . 1 1 64 64 LEU CB C 13 36.970 0.3 . 1 . 157 . . 64 LEU CB . 19145 1 158 . 1 1 64 64 LEU N N 15 120.789 0.3 . 1 . 158 . . 64 LEU N . 19145 1 159 . 1 1 65 65 ASN C C 13 173.230 0.3 . 1 . 159 . . 65 ASN C . 19145 1 160 . 1 1 65 65 ASN CA C 13 51.740 0.3 . 1 . 160 . . 65 ASN CA . 19145 1 161 . 1 1 65 65 ASN CB C 13 43.060 0.3 . 1 . 161 . . 65 ASN CB . 19145 1 162 . 1 1 65 65 ASN N N 15 121.649 0.3 . 1 . 162 . . 65 ASN N . 19145 1 163 . 1 1 66 66 GLN C C 13 176.064 0.3 . 1 . 163 . . 66 GLN C . 19145 1 164 . 1 1 66 66 GLN CA C 13 56.475 0.3 . 1 . 164 . . 66 GLN CA . 19145 1 165 . 1 1 66 66 GLN CB C 13 27.541 0.3 . 1 . 165 . . 66 GLN CB . 19145 1 166 . 1 1 66 66 GLN N N 15 117.977 0.3 . 1 . 166 . . 66 GLN N . 19145 1 167 . 1 1 67 67 GLY CA C 13 43.368 0.3 . 1 . 167 . . 67 GLY CA . 19145 1 168 . 1 1 67 67 GLY N N 15 114.512 0.3 . 1 . 168 . . 67 GLY N . 19145 1 169 . 1 1 70 70 ILE N N 15 119.458 0.3 . 1 . 169 . . 70 ILE N . 19145 1 170 . 1 1 72 72 GLU CA C 13 58.491 0.3 . 1 . 170 . . 72 GLU CA . 19145 1 171 . 1 1 72 72 GLU CB C 13 28.742 0.3 . 1 . 171 . . 72 GLU CB . 19145 1 172 . 1 1 72 72 GLU N N 15 125.206 0.3 . 1 . 172 . . 72 GLU N . 19145 1 173 . 1 1 74 74 GLY C C 13 173.248 0.3 . 1 . 173 . . 74 GLY C . 19145 1 174 . 1 1 74 74 GLY CA C 13 45.581 0.3 . 1 . 174 . . 74 GLY CA . 19145 1 175 . 1 1 74 74 GLY N N 15 104.881 0.3 . 1 . 175 . . 74 GLY N . 19145 1 176 . 1 1 75 75 LEU C C 13 176.282 0.3 . 1 . 176 . . 75 LEU C . 19145 1 177 . 1 1 75 75 LEU CA C 13 55.648 0.3 . 1 . 177 . . 75 LEU CA . 19145 1 178 . 1 1 75 75 LEU N N 15 119.424 0.3 . 1 . 178 . . 75 LEU N . 19145 1 179 . 1 1 76 76 PHE C C 13 174.867 0.3 . 1 . 179 . . 76 PHE C . 19145 1 180 . 1 1 76 76 PHE CA C 13 57.749 0.3 . 1 . 180 . . 76 PHE CA . 19145 1 181 . 1 1 76 76 PHE CB C 13 39.054 0.3 . 1 . 181 . . 76 PHE CB . 19145 1 182 . 1 1 76 76 PHE N N 15 113.112 0.3 . 1 . 182 . . 76 PHE N . 19145 1 183 . 1 1 77 77 GLU C C 13 174.305 0.3 . 1 . 183 . . 77 GLU C . 19145 1 184 . 1 1 77 77 GLU CA C 13 54.883 0.3 . 1 . 184 . . 77 GLU CA . 19145 1 185 . 1 1 77 77 GLU CB C 13 30.162 0.3 . 1 . 185 . . 77 GLU CB . 19145 1 186 . 1 1 77 77 GLU N N 15 120.114 0.3 . 1 . 186 . . 77 GLU N . 19145 1 187 . 1 1 78 78 GLU C C 13 178.056 0.3 . 1 . 187 . . 78 GLU C . 19145 1 188 . 1 1 78 78 GLU CA C 13 56.809 0.3 . 1 . 188 . . 78 GLU CA . 19145 1 189 . 1 1 78 78 GLU N N 15 123.230 0.3 . 1 . 189 . . 78 GLU N . 19145 1 190 . 1 1 79 79 GLY CA C 13 45.582 0.3 . 1 . 190 . . 79 GLY CA . 19145 1 191 . 1 1 79 79 GLY N N 15 111.713 0.3 . 1 . 191 . . 79 GLY N . 19145 1 192 . 1 1 80 80 GLN CA C 13 55.355 0.3 . 1 . 192 . . 80 GLN CA . 19145 1 193 . 1 1 80 80 GLN CB C 13 29.028 0.3 . 1 . 193 . . 80 GLN CB . 19145 1 194 . 1 1 80 80 GLN N N 15 120.443 0.3 . 1 . 194 . . 80 GLN N . 19145 1 195 . 1 1 81 81 GLU CA C 13 54.473 0.3 . 1 . 195 . . 81 GLU CA . 19145 1 196 . 1 1 81 81 GLU CB C 13 30.278 0.3 . 1 . 196 . . 81 GLU CB . 19145 1 197 . 1 1 81 81 GLU N N 15 122.381 0.3 . 1 . 197 . . 81 GLU N . 19145 1 198 . 1 1 82 82 ARG CA C 13 54.633 0.3 . 1 . 198 . . 82 ARG CA . 19145 1 199 . 1 1 82 82 ARG CB C 13 29.262 0.3 . 1 . 199 . . 82 ARG CB . 19145 1 200 . 1 1 82 82 ARG N N 15 120.358 0.3 . 1 . 200 . . 82 ARG N . 19145 1 201 . 1 1 83 83 SER CA C 13 59.032 0.3 . 1 . 201 . . 83 SER CA . 19145 1 202 . 1 1 83 83 SER CB C 13 63.518 0.3 . 1 . 202 . . 83 SER CB . 19145 1 203 . 1 1 83 83 SER N N 15 121.219 0.3 . 1 . 203 . . 83 SER N . 19145 1 204 . 1 1 84 84 ALA CA C 13 50.835 0.3 . 1 . 204 . . 84 ALA CA . 19145 1 205 . 1 1 84 84 ALA CB C 13 20.982 0.3 . 1 . 205 . . 84 ALA CB . 19145 1 206 . 1 1 84 84 ALA N N 15 121.799 0.3 . 1 . 206 . . 84 ALA N . 19145 1 207 . 1 1 85 85 TRP C C 13 174.970 0.3 . 1 . 207 . . 85 TRP C . 19145 1 208 . 1 1 85 85 TRP CA C 13 56.562 0.3 . 1 . 208 . . 85 TRP CA . 19145 1 209 . 1 1 85 85 TRP CB C 13 30.226 0.3 . 1 . 209 . . 85 TRP CB . 19145 1 210 . 1 1 85 85 TRP N N 15 119.141 0.3 . 1 . 210 . . 85 TRP N . 19145 1 211 . 1 1 86 86 VAL C C 13 174.775 0.3 . 1 . 211 . . 86 VAL C . 19145 1 212 . 1 1 86 86 VAL CA C 13 60.650 0.3 . 1 . 212 . . 86 VAL CA . 19145 1 213 . 1 1 86 86 VAL CB C 13 33.366 0.3 . 1 . 213 . . 86 VAL CB . 19145 1 214 . 1 1 86 86 VAL N N 15 119.873 0.3 . 1 . 214 . . 86 VAL N . 19145 1 215 . 1 1 87 87 ARG C C 13 174.649 0.3 . 1 . 215 . . 87 ARG C . 19145 1 216 . 1 1 87 87 ARG CA C 13 53.223 0.3 . 1 . 216 . . 87 ARG CA . 19145 1 217 . 1 1 87 87 ARG CB C 13 33.787 0.3 . 1 . 217 . . 87 ARG CB . 19145 1 218 . 1 1 87 87 ARG N N 15 129.318 0.3 . 1 . 218 . . 87 ARG N . 19145 1 219 . 1 1 88 88 ALA C C 13 177.679 0.3 . 1 . 219 . . 88 ALA C . 19145 1 220 . 1 1 88 88 ALA CA C 13 53.075 0.3 . 1 . 220 . . 88 ALA CA . 19145 1 221 . 1 1 88 88 ALA CB C 13 18.060 0.3 . 1 . 221 . . 88 ALA CB . 19145 1 222 . 1 1 88 88 ALA N N 15 128.866 0.3 . 1 . 222 . . 88 ALA N . 19145 1 223 . 1 1 89 89 LYS C C 13 176.703 0.3 . 1 . 223 . . 89 LYS C . 19145 1 224 . 1 1 89 89 LYS CA C 13 56.934 0.3 . 1 . 224 . . 89 LYS CA . 19145 1 225 . 1 1 89 89 LYS CB C 13 32.076 0.3 . 1 . 225 . . 89 LYS CB . 19145 1 226 . 1 1 89 89 LYS N N 15 129.753 0.3 . 1 . 226 . . 89 LYS N . 19145 1 227 . 1 1 90 90 THR C C 13 173.776 0.3 . 1 . 227 . . 90 THR C . 19145 1 228 . 1 1 90 90 THR N N 15 110.090 0.3 . 1 . 228 . . 90 THR N . 19145 1 229 . 1 1 91 91 ALA C C 13 180.157 0.3 . 1 . 229 . . 91 ALA C . 19145 1 230 . 1 1 91 91 ALA CA C 13 53.517 0.3 . 1 . 230 . . 91 ALA CA . 19145 1 231 . 1 1 91 91 ALA CB C 13 16.967 0.3 . 1 . 231 . . 91 ALA CB . 19145 1 232 . 1 1 91 91 ALA N N 15 121.883 0.3 . 1 . 232 . . 91 ALA N . 19145 1 233 . 1 1 92 92 CYS C C 13 173.837 0.3 . 1 . 233 . . 92 CYS C . 19145 1 234 . 1 1 92 92 CYS CA C 13 56.859 0.3 . 1 . 234 . . 92 CYS CA . 19145 1 235 . 1 1 92 92 CYS CB C 13 31.339 0.3 . 1 . 235 . . 92 CYS CB . 19145 1 236 . 1 1 92 92 CYS N N 15 121.206 0.3 . 1 . 236 . . 92 CYS N . 19145 1 237 . 1 1 93 93 GLU CA C 13 55.449 0.3 . 1 . 237 . . 93 GLU CA . 19145 1 238 . 1 1 93 93 GLU CB C 13 31.265 0.3 . 1 . 238 . . 93 GLU CB . 19145 1 239 . 1 1 93 93 GLU N N 15 124.902 0.3 . 1 . 239 . . 93 GLU N . 19145 1 240 . 1 1 96 96 GLU CA C 13 54.031 0.3 . 1 . 240 . . 96 GLU CA . 19145 1 241 . 1 1 96 96 GLU CB C 13 32.484 0.3 . 1 . 241 . . 96 GLU CB . 19145 1 242 . 1 1 96 96 GLU N N 15 121.672 0.3 . 1 . 242 . . 96 GLU N . 19145 1 243 . 1 1 98 98 SER C C 13 175.652 0.3 . 1 . 243 . . 98 SER C . 19145 1 244 . 1 1 98 98 SER CA C 13 57.696 0.3 . 1 . 244 . . 98 SER CA . 19145 1 245 . 1 1 98 98 SER N N 15 124.276 0.3 . 1 . 245 . . 98 SER N . 19145 1 246 . 1 1 99 99 TYR C C 13 178.423 0.3 . 1 . 246 . . 99 TYR C . 19145 1 247 . 1 1 99 99 TYR CA C 13 57.782 0.3 . 1 . 247 . . 99 TYR CA . 19145 1 248 . 1 1 99 99 TYR CB C 13 35.573 0.3 . 1 . 248 . . 99 TYR CB . 19145 1 249 . 1 1 99 99 TYR N N 15 122.132 0.3 . 1 . 249 . . 99 TYR N . 19145 1 250 . 1 1 100 100 LYS C C 13 179.161 0.3 . 1 . 250 . . 100 LYS C . 19145 1 251 . 1 1 100 100 LYS CA C 13 59.400 0.3 . 1 . 251 . . 100 LYS CA . 19145 1 252 . 1 1 100 100 LYS CB C 13 31.822 0.3 . 1 . 252 . . 100 LYS CB . 19145 1 253 . 1 1 100 100 LYS N N 15 117.163 0.3 . 1 . 253 . . 100 LYS N . 19145 1 254 . 1 1 101 101 LYS C C 13 179.317 0.3 . 1 . 254 . . 101 LYS C . 19145 1 255 . 1 1 101 101 LYS CA C 13 58.074 0.3 . 1 . 255 . . 101 LYS CA . 19145 1 256 . 1 1 101 101 LYS CB C 13 30.827 0.3 . 1 . 256 . . 101 LYS CB . 19145 1 257 . 1 1 101 101 LYS N N 15 120.374 0.3 . 1 . 257 . . 101 LYS N . 19145 1 258 . 1 1 102 102 PHE C C 13 176.852 0.3 . 1 . 258 . . 102 PHE C . 19145 1 259 . 1 1 102 102 PHE CA C 13 62.342 0.3 . 1 . 259 . . 102 PHE CA . 19145 1 260 . 1 1 102 102 PHE CB C 13 38.367 0.3 . 1 . 260 . . 102 PHE CB . 19145 1 261 . 1 1 102 102 PHE N N 15 121.924 0.3 . 1 . 261 . . 102 PHE N . 19145 1 262 . 1 1 103 103 ARG C C 13 178.569 0.3 . 1 . 262 . . 103 ARG C . 19145 1 263 . 1 1 103 103 ARG CA C 13 59.529 0.3 . 1 . 263 . . 103 ARG CA . 19145 1 264 . 1 1 103 103 ARG CB C 13 29.187 0.3 . 1 . 264 . . 103 ARG CB . 19145 1 265 . 1 1 103 103 ARG N N 15 115.473 0.3 . 1 . 265 . . 103 ARG N . 19145 1 266 . 1 1 104 104 GLN C C 13 179.542 0.3 . 1 . 266 . . 104 GLN C . 19145 1 267 . 1 1 104 104 GLN CA C 13 57.971 0.3 . 1 . 267 . . 104 GLN CA . 19145 1 268 . 1 1 104 104 GLN CB C 13 27.407 0.3 . 1 . 268 . . 104 GLN CB . 19145 1 269 . 1 1 104 104 GLN N N 15 117.578 0.3 . 1 . 269 . . 104 GLN N . 19145 1 270 . 1 1 106 106 ILE C C 13 175.093 0.3 . 1 . 270 . . 106 ILE C . 19145 1 271 . 1 1 106 106 ILE CA C 13 63.980 0.3 . 1 . 271 . . 106 ILE CA . 19145 1 272 . 1 1 106 106 ILE CB C 13 36.903 0.3 . 1 . 272 . . 106 ILE CB . 19145 1 273 . 1 1 106 106 ILE N N 15 116.424 0.3 . 1 . 273 . . 106 ILE N . 19145 1 274 . 1 1 107 107 GLN C C 13 174.107 0.3 . 1 . 274 . . 107 GLN C . 19145 1 275 . 1 1 107 107 GLN CA C 13 56.628 0.3 . 1 . 275 . . 107 GLN CA . 19145 1 276 . 1 1 107 107 GLN CB C 13 27.629 0.3 . 1 . 276 . . 107 GLN CB . 19145 1 277 . 1 1 107 107 GLN N N 15 112.114 0.3 . 1 . 277 . . 107 GLN N . 19145 1 278 . 1 1 108 108 VAL C C 13 176.455 0.3 . 1 . 278 . . 108 VAL C . 19145 1 279 . 1 1 108 108 VAL CA C 13 63.597 0.3 . 1 . 279 . . 108 VAL CA . 19145 1 280 . 1 1 108 108 VAL N N 15 116.911 0.3 . 1 . 280 . . 108 VAL N . 19145 1 281 . 1 1 109 109 ASN CA C 13 49.918 0.3 . 1 . 281 . . 109 ASN CA . 19145 1 282 . 1 1 109 109 ASN CB C 13 38.056 0.3 . 1 . 282 . . 109 ASN CB . 19145 1 283 . 1 1 109 109 ASN N N 15 114.125 0.3 . 1 . 283 . . 109 ASN N . 19145 1 284 . 1 1 111 111 ASP C C 13 179.081 0.3 . 1 . 284 . . 111 ASP C . 19145 1 285 . 1 1 111 111 ASP CA C 13 56.983 0.3 . 1 . 285 . . 111 ASP CA . 19145 1 286 . 1 1 111 111 ASP CB C 13 40.304 0.3 . 1 . 286 . . 111 ASP CB . 19145 1 287 . 1 1 111 111 ASP N N 15 120.230 0.3 . 1 . 287 . . 111 ASP N . 19145 1 288 . 1 1 112 112 ILE C C 13 176.089 0.3 . 1 . 288 . . 112 ILE C . 19145 1 289 . 1 1 112 112 ILE CA C 13 60.716 0.3 . 1 . 289 . . 112 ILE CA . 19145 1 290 . 1 1 112 112 ILE CB C 13 37.496 0.3 . 1 . 290 . . 112 ILE CB . 19145 1 291 . 1 1 112 112 ILE N N 15 115.708 0.3 . 1 . 291 . . 112 ILE N . 19145 1 292 . 1 1 113 113 LEU C C 13 178.802 0.3 . 1 . 292 . . 113 LEU C . 19145 1 293 . 1 1 113 113 LEU CA C 13 55.894 0.3 . 1 . 293 . . 113 LEU CA . 19145 1 294 . 1 1 113 113 LEU CB C 13 40.167 0.3 . 1 . 294 . . 113 LEU CB . 19145 1 295 . 1 1 113 113 LEU N N 15 122.747 0.3 . 1 . 295 . . 113 LEU N . 19145 1 296 . 1 1 114 114 MET C C 13 178.092 0.3 . 1 . 296 . . 114 MET C . 19145 1 297 . 1 1 114 114 MET CA C 13 58.106 0.3 . 1 . 297 . . 114 MET CA . 19145 1 298 . 1 1 114 114 MET CB C 13 30.204 0.3 . 1 . 298 . . 114 MET CB . 19145 1 299 . 1 1 114 114 MET N N 15 121.969 0.3 . 1 . 299 . . 114 MET N . 19145 1 300 . 1 1 115 115 ARG C C 13 179.027 0.3 . 1 . 300 . . 115 ARG C . 19145 1 301 . 1 1 115 115 ARG CA C 13 58.077 0.3 . 1 . 301 . . 115 ARG CA . 19145 1 302 . 1 1 115 115 ARG CB C 13 28.710 0.3 . 1 . 302 . . 115 ARG CB . 19145 1 303 . 1 1 115 115 ARG N N 15 117.677 0.3 . 1 . 303 . . 115 ARG N . 19145 1 304 . 1 1 116 116 LEU C C 13 178.650 0.3 . 1 . 304 . . 116 LEU C . 19145 1 305 . 1 1 116 116 LEU CA C 13 57.897 0.3 . 1 . 305 . . 116 LEU CA . 19145 1 306 . 1 1 116 116 LEU CB C 13 40.983 0.3 . 1 . 306 . . 116 LEU CB . 19145 1 307 . 1 1 116 116 LEU N N 15 121.334 0.3 . 1 . 307 . . 116 LEU N . 19145 1 308 . 1 1 117 117 SER C C 13 174.834 0.3 . 1 . 308 . . 117 SER C . 19145 1 309 . 1 1 117 117 SER CA C 13 62.268 0.3 . 1 . 309 . . 117 SER CA . 19145 1 310 . 1 1 117 117 SER N N 15 117.150 0.3 . 1 . 310 . . 117 SER N . 19145 1 311 . 1 1 118 118 ALA C C 13 180.388 0.3 . 1 . 311 . . 118 ALA C . 19145 1 312 . 1 1 118 118 ALA CA C 13 54.262 0.3 . 1 . 312 . . 118 ALA CA . 19145 1 313 . 1 1 118 118 ALA CB C 13 17.318 0.3 . 1 . 313 . . 118 ALA CB . 19145 1 314 . 1 1 118 118 ALA N N 15 123.745 0.3 . 1 . 314 . . 118 ALA N . 19145 1 315 . 1 1 119 119 GLN CA C 13 58.808 0.3 . 1 . 315 . . 119 GLN CA . 19145 1 316 . 1 1 119 119 GLN CB C 13 26.453 0.3 . 1 . 316 . . 119 GLN CB . 19145 1 317 . 1 1 119 119 GLN N N 15 118.327 0.3 . 1 . 317 . . 119 GLN N . 19145 1 318 . 1 1 120 120 MET CA C 13 59.878 0.3 . 1 . 318 . . 120 MET CA . 19145 1 319 . 1 1 120 120 MET N N 15 119.916 0.3 . 1 . 319 . . 120 MET N . 19145 1 320 . 1 1 121 121 ALA C C 13 179.226 0.3 . 1 . 320 . . 121 ALA C . 19145 1 321 . 1 1 121 121 ALA CA C 13 54.590 0.3 . 1 . 321 . . 121 ALA CA . 19145 1 322 . 1 1 121 121 ALA CB C 13 17.824 0.3 . 1 . 322 . . 121 ALA CB . 19145 1 323 . 1 1 121 121 ALA N N 15 121.062 0.3 . 1 . 323 . . 121 ALA N . 19145 1 324 . 1 1 122 122 ARG C C 13 178.853 0.3 . 1 . 324 . . 122 ARG C . 19145 1 325 . 1 1 122 122 ARG CA C 13 58.723 0.3 . 1 . 325 . . 122 ARG CA . 19145 1 326 . 1 1 122 122 ARG CB C 13 28.991 0.3 . 1 . 326 . . 122 ARG CB . 19145 1 327 . 1 1 122 122 ARG N N 15 118.210 0.3 . 1 . 327 . . 122 ARG N . 19145 1 328 . 1 1 123 123 ARG C C 13 178.673 0.3 . 1 . 328 . . 123 ARG C . 19145 1 329 . 1 1 123 123 ARG CA C 13 58.274 0.3 . 1 . 329 . . 123 ARG CA . 19145 1 330 . 1 1 123 123 ARG N N 15 119.649 0.3 . 1 . 330 . . 123 ARG N . 19145 1 331 . 1 1 124 124 LEU C C 13 178.968 0.3 . 1 . 331 . . 124 LEU C . 19145 1 332 . 1 1 124 124 LEU CA C 13 65.565 0.3 . 1 . 332 . . 124 LEU CA . 19145 1 333 . 1 1 124 124 LEU CB C 13 31.239 0.3 . 1 . 333 . . 124 LEU CB . 19145 1 334 . 1 1 124 124 LEU N N 15 118.946 0.3 . 1 . 334 . . 124 LEU N . 19145 1 335 . 1 1 125 125 GLN N N 15 121.754 0.3 . 1 . 335 . . 125 GLN N . 19145 1 336 . 1 1 126 126 VAL N N 15 120.111 0.3 . 1 . 336 . . 126 VAL N . 19145 1 337 . 1 1 128 128 ILE CA C 13 62.265 0.3 . 1 . 337 . . 128 ILE CA . 19145 1 338 . 1 1 128 128 ILE N N 15 119.232 0.3 . 1 . 338 . . 128 ILE N . 19145 1 339 . 1 1 129 129 GLU CA C 13 49.325 0.3 . 1 . 339 . . 129 GLU CA . 19145 1 340 . 1 1 129 129 GLU CB C 13 28.366 0.3 . 1 . 340 . . 129 GLU CB . 19145 1 341 . 1 1 129 129 GLU N N 15 120.837 0.3 . 1 . 341 . . 129 GLU N . 19145 1 342 . 1 1 131 131 VAL C C 13 176.686 0.3 . 1 . 342 . . 131 VAL C . 19145 1 343 . 1 1 131 131 VAL CA C 13 55.558 0.3 . 1 . 343 . . 131 VAL CA . 19145 1 344 . 1 1 131 131 VAL N N 15 118.490 0.3 . 1 . 344 . . 131 VAL N . 19145 1 345 . 1 1 132 132 GLY C C 13 172.899 0.3 . 1 . 345 . . 132 GLY C . 19145 1 346 . 1 1 132 132 GLY CA C 13 44.766 0.3 . 1 . 346 . . 132 GLY CA . 19145 1 347 . 1 1 132 132 GLY N N 15 109.052 0.3 . 1 . 347 . . 132 GLY N . 19145 1 348 . 1 1 133 133 ASN CA C 13 53.816 0.3 . 1 . 348 . . 133 ASN CA . 19145 1 349 . 1 1 133 133 ASN CB C 13 32.690 0.3 . 1 . 349 . . 133 ASN CB . 19145 1 350 . 1 1 133 133 ASN N N 15 120.634 0.3 . 1 . 350 . . 133 ASN N . 19145 1 351 . 1 1 134 134 LEU C C 13 177.358 0.3 . 1 . 351 . . 134 LEU C . 19145 1 352 . 1 1 134 134 LEU CA C 13 55.533 0.3 . 1 . 352 . . 134 LEU CA . 19145 1 353 . 1 1 134 134 LEU CB C 13 41.537 0.3 . 1 . 353 . . 134 LEU CB . 19145 1 354 . 1 1 134 134 LEU N N 15 120.297 0.3 . 1 . 354 . . 134 LEU N . 19145 1 355 . 1 1 135 135 ALA C C 13 177.459 0.3 . 1 . 355 . . 135 ALA C . 19145 1 356 . 1 1 135 135 ALA CA C 13 52.781 0.3 . 1 . 356 . . 135 ALA CA . 19145 1 357 . 1 1 135 135 ALA CB C 13 18.291 0.3 . 1 . 357 . . 135 ALA CB . 19145 1 358 . 1 1 135 135 ALA N N 15 121.773 0.3 . 1 . 358 . . 135 ALA N . 19145 1 359 . 1 1 136 136 PHE C C 13 175.725 0.3 . 1 . 359 . . 136 PHE C . 19145 1 360 . 1 1 136 136 PHE CA C 13 56.765 0.3 . 1 . 360 . . 136 PHE CA . 19145 1 361 . 1 1 136 136 PHE CB C 13 38.346 0.3 . 1 . 361 . . 136 PHE CB . 19145 1 362 . 1 1 136 136 PHE N N 15 116.933 0.3 . 1 . 362 . . 136 PHE N . 19145 1 363 . 1 1 137 137 LEU C C 13 176.124 0.3 . 1 . 363 . . 137 LEU C . 19145 1 364 . 1 1 137 137 LEU CA C 13 54.584 0.3 . 1 . 364 . . 137 LEU CA . 19145 1 365 . 1 1 137 137 LEU CB C 13 41.502 0.3 . 1 . 365 . . 137 LEU CB . 19145 1 366 . 1 1 137 137 LEU N N 15 122.833 0.3 . 1 . 366 . . 137 LEU N . 19145 1 367 . 1 1 138 138 ASP CA C 13 55.317 0.3 . 1 . 367 . . 138 ASP CA . 19145 1 368 . 1 1 138 138 ASP CB C 13 41.583 0.3 . 1 . 368 . . 138 ASP CB . 19145 1 369 . 1 1 138 138 ASP N N 15 126.383 0.3 . 1 . 369 . . 138 ASP N . 19145 1 stop_ save_