data_19144 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19144 _Entry.Title ; A structural model of CAP mutant (T127L and S128I) in the apo 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 . . . 19144 2 C. Kalodimos . G. . 19144 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' . 19144 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . TzengGroup . 19144 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'cAMP receptor protein' . 19144 'Catabolite Activator Protein' . 19144 TRANSCRIPTION . 19144 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19144 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 217 19144 '15N chemical shifts' 122 19144 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' 19144 1 . . 2013-05-30 2013-04-05 original author 'original release' 19144 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19145 'CAP mutant (T127L and S128I) in cGMP-bound state' 19144 PDB 4BH9 'BMRB Entry Tracking System' 19144 PDB 4bhp 'CAP mutant (T127L and S128I) in cGMP-bound state' 19144 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19144 _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 . . . 19144 1 2 Charalampos Kalodimos . G. . 19144 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19144 _Assembly.ID 1 _Assembly.Name 'CAP mutant (T127L and S128I) in the apo state' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 23555.3638 _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 . . . 19144 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CAMP_RECEPTOR_PROTEIN _Entity.Sf_category entity _Entity.Sf_framecode CAMP_RECEPTOR_PROTEIN _Entity.Entry_ID 19144 _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 . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 23555.3638 _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 . . . . . . . . . . . . . . 19144 1 2 no BMRB 19145 . CAMP_RECEPTOR_PROTEIN . . . . . 100.00 209 100.00 100.00 1.26e-151 . . . . 19144 1 3 no BMRB 4388 . "Cyclic AMP Receptor Protein" . . . . . 100.00 209 99.04 99.04 8.40e-150 . . . . 19144 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 . . . . 19144 1 5 no PDB 1G6N . "2.1 Angstrom Structure Of Cap-Camp" . . . . . 100.00 210 99.04 99.04 6.55e-150 . . . . 19144 1 6 no PDB 1HW5 . "The CapCRP VARIANT T127LS128A" . . . . . 100.00 210 99.52 99.52 7.19e-151 . . . . 19144 1 7 no PDB 1I5Z . "Structure Of Crp-Camp At 1.9 A" . . . . . 100.00 209 99.04 99.04 8.40e-150 . . . . 19144 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 . . . . 19144 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 . . . . 19144 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 . . . . 19144 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 . . . . 19144 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 . . . . 19144 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 . . . . 19144 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 . . . . 19144 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 . . . . 19144 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 . . . . 19144 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 . . . . 19144 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 . . . . 19144 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 . . . . 19144 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 . . . . 19144 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 . . . . 19144 1 22 no PDB 2GZW . "Crystal Structure Of The E.coli Crp-camp Complex" . . . . . 100.00 209 99.04 99.04 8.40e-150 . . . . 19144 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 . . . . 19144 1 24 no PDB 3FWE . "Crystal Structure Of The Apo D138l Cap Mutant" . . . . . 100.00 210 98.56 98.56 1.78e-148 . . . . 19144 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 . . . . 19144 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 . . . . 19144 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 . . . . 19144 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 . . . . 19144 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 . . . . 19144 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 . . . . 19144 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 . . . . 19144 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 . . . . 19144 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 . . . . 19144 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 . . . . 19144 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 . . . . 19144 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 . . . . 19144 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 . . . . 19144 1 38 no PDB 4HZF . "Structure Of The Wild Type Catabolite Gene Activator Protein" . . . . . 100.00 222 99.04 99.04 1.75e-149 . . . . 19144 1 39 no PDB 4I01 . "Structure Of The Mutant Catabolite Gen Activator Protein V140l" . . . . . 100.00 222 98.56 99.04 6.04e-149 . . . . 19144 1 40 no PDB 4I02 . "Structure Of The Mutant Catabolite Gene Activator Protein V140a" . . . . . 100.00 222 98.56 98.56 6.88e-149 . . . . 19144 1 41 no PDB 4I09 . "Structure Of The Mutant Catabolite Gene Activator Protein V132l" . . . . . 100.00 222 98.56 99.04 6.04e-149 . . . . 19144 1 42 no PDB 4I0A . "Structure Of The Mutant Catabolite Gene Activator Protein V132a" . . . . . 100.00 222 98.56 98.56 6.88e-149 . . . . 19144 1 43 no PDB 4I0B . "Structure Of The Mutant Catabolite Gene Activator Protein H160l" . . . . . 100.00 222 98.56 98.56 9.92e-148 . . . . 19144 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 . . . . 19144 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 . . . . 19144 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 . . . . 19144 1 47 no DBJ BAC10627 . "CRP [Pectobacterium carotovorum subsp. carotovorum]" . . . . . 100.00 210 98.56 98.56 5.65e-149 . . . . 19144 1 48 no DBJ BAE75576 . "cAMP-regulatory protein [Sodalis glossinidius str. 'morsitans']" . . . . . 100.00 210 98.09 98.56 1.24e-148 . . . . 19144 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 . . . . 19144 1 50 no DBJ BAG79143 . "cyclic AMP receptor protein [Escherichia coli SE11]" . . . . . 100.00 210 98.56 98.56 7.51e-149 . . . . 19144 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 . . . . 19144 1 52 no EMBL CAA61609 . "CRP regulatory protein [Dickeya chrysanthemi]" . . . . . 100.00 210 97.13 98.56 8.33e-148 . . . . 19144 1 53 no EMBL CAC07215 . "cAMP receptor protein [Klebsiella pneumoniae]" . . . . . 100.00 210 97.61 98.56 1.39e-147 . . . . 19144 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 . . . . 19144 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 . . . . 19144 1 56 no GB AAA23601 . "cAMP receptor protein (crp) [Escherichia coli]" . . . . . 100.00 210 99.04 99.04 6.55e-150 . . . . 19144 1 57 no GB AAA25058 . "catabolite activator protein [Enterobacter aerogenes]" . . . . . 100.00 210 98.56 99.04 1.66e-149 . . . . 19144 1 58 no GB AAA26515 . "catabolite gene activator protein [Shigella flexneri]" . . . . . 100.00 210 99.04 99.04 6.55e-150 . . . . 19144 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 . . . . 19144 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 . . . . 19144 1 61 no PIR A44903 . "cAMP receptor protein - Klebsiella pneumoniae" . . . . . 100.00 210 98.56 99.04 1.66e-149 . . . . 19144 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 . . . . 19144 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 . . . . 19144 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 . . . . 19144 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 . . . . 19144 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 . . . . 19144 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 . . . . 19144 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 . . . . 19144 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 . . . . 19144 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 . . . . 19144 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 . . . . 19144 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 . . . . 19144 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 . 19144 1 2 . LEU . 19144 1 3 . GLY . 19144 1 4 . LYS . 19144 1 5 . PRO . 19144 1 6 . GLN . 19144 1 7 . THR . 19144 1 8 . ASP . 19144 1 9 . PRO . 19144 1 10 . THR . 19144 1 11 . LEU . 19144 1 12 . GLU . 19144 1 13 . TRP . 19144 1 14 . PHE . 19144 1 15 . LEU . 19144 1 16 . SER . 19144 1 17 . HIS . 19144 1 18 . CYS . 19144 1 19 . HIS . 19144 1 20 . ILE . 19144 1 21 . HIS . 19144 1 22 . LYS . 19144 1 23 . TYR . 19144 1 24 . PRO . 19144 1 25 . SER . 19144 1 26 . LYS . 19144 1 27 . SER . 19144 1 28 . THR . 19144 1 29 . LEU . 19144 1 30 . ILE . 19144 1 31 . HIS . 19144 1 32 . GLN . 19144 1 33 . GLY . 19144 1 34 . GLU . 19144 1 35 . LYS . 19144 1 36 . ALA . 19144 1 37 . GLU . 19144 1 38 . THR . 19144 1 39 . LEU . 19144 1 40 . TYR . 19144 1 41 . TYR . 19144 1 42 . ILE . 19144 1 43 . VAL . 19144 1 44 . LYS . 19144 1 45 . GLY . 19144 1 46 . SER . 19144 1 47 . VAL . 19144 1 48 . ALA . 19144 1 49 . VAL . 19144 1 50 . LEU . 19144 1 51 . ILE . 19144 1 52 . LYS . 19144 1 53 . ASP . 19144 1 54 . GLU . 19144 1 55 . GLU . 19144 1 56 . GLY . 19144 1 57 . LYS . 19144 1 58 . GLU . 19144 1 59 . MET . 19144 1 60 . ILE . 19144 1 61 . LEU . 19144 1 62 . SER . 19144 1 63 . TYR . 19144 1 64 . LEU . 19144 1 65 . ASN . 19144 1 66 . GLN . 19144 1 67 . GLY . 19144 1 68 . ASP . 19144 1 69 . PHE . 19144 1 70 . ILE . 19144 1 71 . GLY . 19144 1 72 . GLU . 19144 1 73 . LEU . 19144 1 74 . GLY . 19144 1 75 . LEU . 19144 1 76 . PHE . 19144 1 77 . GLU . 19144 1 78 . GLU . 19144 1 79 . GLY . 19144 1 80 . GLN . 19144 1 81 . GLU . 19144 1 82 . ARG . 19144 1 83 . SER . 19144 1 84 . ALA . 19144 1 85 . TRP . 19144 1 86 . VAL . 19144 1 87 . ARG . 19144 1 88 . ALA . 19144 1 89 . LYS . 19144 1 90 . THR . 19144 1 91 . ALA . 19144 1 92 . CYS . 19144 1 93 . GLU . 19144 1 94 . VAL . 19144 1 95 . ALA . 19144 1 96 . GLU . 19144 1 97 . ILE . 19144 1 98 . SER . 19144 1 99 . TYR . 19144 1 100 . LYS . 19144 1 101 . LYS . 19144 1 102 . PHE . 19144 1 103 . ARG . 19144 1 104 . GLN . 19144 1 105 . LEU . 19144 1 106 . ILE . 19144 1 107 . GLN . 19144 1 108 . VAL . 19144 1 109 . ASN . 19144 1 110 . PRO . 19144 1 111 . ASP . 19144 1 112 . ILE . 19144 1 113 . LEU . 19144 1 114 . MET . 19144 1 115 . ARG . 19144 1 116 . LEU . 19144 1 117 . SER . 19144 1 118 . ALA . 19144 1 119 . GLN . 19144 1 120 . MET . 19144 1 121 . ALA . 19144 1 122 . ARG . 19144 1 123 . ARG . 19144 1 124 . LEU . 19144 1 125 . GLN . 19144 1 126 . VAL . 19144 1 127 . LEU . 19144 1 128 . ILE . 19144 1 129 . GLU . 19144 1 130 . LYS . 19144 1 131 . VAL . 19144 1 132 . GLY . 19144 1 133 . ASN . 19144 1 134 . LEU . 19144 1 135 . ALA . 19144 1 136 . PHE . 19144 1 137 . LEU . 19144 1 138 . ASP . 19144 1 139 . VAL . 19144 1 140 . THR . 19144 1 141 . GLY . 19144 1 142 . ARG . 19144 1 143 . ILE . 19144 1 144 . ALA . 19144 1 145 . GLN . 19144 1 146 . THR . 19144 1 147 . LEU . 19144 1 148 . LEU . 19144 1 149 . ASN . 19144 1 150 . LEU . 19144 1 151 . ALA . 19144 1 152 . LYS . 19144 1 153 . GLN . 19144 1 154 . PRO . 19144 1 155 . ASP . 19144 1 156 . ALA . 19144 1 157 . MET . 19144 1 158 . THR . 19144 1 159 . HIS . 19144 1 160 . PRO . 19144 1 161 . ASP . 19144 1 162 . GLY . 19144 1 163 . MET . 19144 1 164 . GLN . 19144 1 165 . ILE . 19144 1 166 . LYS . 19144 1 167 . ILE . 19144 1 168 . THR . 19144 1 169 . ARG . 19144 1 170 . GLN . 19144 1 171 . GLU . 19144 1 172 . ILE . 19144 1 173 . GLY . 19144 1 174 . GLN . 19144 1 175 . ILE . 19144 1 176 . VAL . 19144 1 177 . GLY . 19144 1 178 . CYS . 19144 1 179 . SER . 19144 1 180 . ARG . 19144 1 181 . GLU . 19144 1 182 . THR . 19144 1 183 . VAL . 19144 1 184 . GLY . 19144 1 185 . ARG . 19144 1 186 . ILE . 19144 1 187 . LEU . 19144 1 188 . LYS . 19144 1 189 . MET . 19144 1 190 . LEU . 19144 1 191 . GLU . 19144 1 192 . ASP . 19144 1 193 . GLN . 19144 1 194 . ASN . 19144 1 195 . LEU . 19144 1 196 . ILE . 19144 1 197 . SER . 19144 1 198 . ALA . 19144 1 199 . HIS . 19144 1 200 . GLY . 19144 1 201 . LYS . 19144 1 202 . THR . 19144 1 203 . ILE . 19144 1 204 . VAL . 19144 1 205 . VAL . 19144 1 206 . TYR . 19144 1 207 . GLY . 19144 1 208 . THR . 19144 1 209 . ARG . 19144 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 19144 1 . LEU 2 2 19144 1 . GLY 3 3 19144 1 . LYS 4 4 19144 1 . PRO 5 5 19144 1 . GLN 6 6 19144 1 . THR 7 7 19144 1 . ASP 8 8 19144 1 . PRO 9 9 19144 1 . THR 10 10 19144 1 . LEU 11 11 19144 1 . GLU 12 12 19144 1 . TRP 13 13 19144 1 . PHE 14 14 19144 1 . LEU 15 15 19144 1 . SER 16 16 19144 1 . HIS 17 17 19144 1 . CYS 18 18 19144 1 . HIS 19 19 19144 1 . ILE 20 20 19144 1 . HIS 21 21 19144 1 . LYS 22 22 19144 1 . TYR 23 23 19144 1 . PRO 24 24 19144 1 . SER 25 25 19144 1 . LYS 26 26 19144 1 . SER 27 27 19144 1 . THR 28 28 19144 1 . LEU 29 29 19144 1 . ILE 30 30 19144 1 . HIS 31 31 19144 1 . GLN 32 32 19144 1 . GLY 33 33 19144 1 . GLU 34 34 19144 1 . LYS 35 35 19144 1 . ALA 36 36 19144 1 . GLU 37 37 19144 1 . THR 38 38 19144 1 . LEU 39 39 19144 1 . TYR 40 40 19144 1 . TYR 41 41 19144 1 . ILE 42 42 19144 1 . VAL 43 43 19144 1 . LYS 44 44 19144 1 . GLY 45 45 19144 1 . SER 46 46 19144 1 . VAL 47 47 19144 1 . ALA 48 48 19144 1 . VAL 49 49 19144 1 . LEU 50 50 19144 1 . ILE 51 51 19144 1 . LYS 52 52 19144 1 . ASP 53 53 19144 1 . GLU 54 54 19144 1 . GLU 55 55 19144 1 . GLY 56 56 19144 1 . LYS 57 57 19144 1 . GLU 58 58 19144 1 . MET 59 59 19144 1 . ILE 60 60 19144 1 . LEU 61 61 19144 1 . SER 62 62 19144 1 . TYR 63 63 19144 1 . LEU 64 64 19144 1 . ASN 65 65 19144 1 . GLN 66 66 19144 1 . GLY 67 67 19144 1 . ASP 68 68 19144 1 . PHE 69 69 19144 1 . ILE 70 70 19144 1 . GLY 71 71 19144 1 . GLU 72 72 19144 1 . LEU 73 73 19144 1 . GLY 74 74 19144 1 . LEU 75 75 19144 1 . PHE 76 76 19144 1 . GLU 77 77 19144 1 . GLU 78 78 19144 1 . GLY 79 79 19144 1 . GLN 80 80 19144 1 . GLU 81 81 19144 1 . ARG 82 82 19144 1 . SER 83 83 19144 1 . ALA 84 84 19144 1 . TRP 85 85 19144 1 . VAL 86 86 19144 1 . ARG 87 87 19144 1 . ALA 88 88 19144 1 . LYS 89 89 19144 1 . THR 90 90 19144 1 . ALA 91 91 19144 1 . CYS 92 92 19144 1 . GLU 93 93 19144 1 . VAL 94 94 19144 1 . ALA 95 95 19144 1 . GLU 96 96 19144 1 . ILE 97 97 19144 1 . SER 98 98 19144 1 . TYR 99 99 19144 1 . LYS 100 100 19144 1 . LYS 101 101 19144 1 . PHE 102 102 19144 1 . ARG 103 103 19144 1 . GLN 104 104 19144 1 . LEU 105 105 19144 1 . ILE 106 106 19144 1 . GLN 107 107 19144 1 . VAL 108 108 19144 1 . ASN 109 109 19144 1 . PRO 110 110 19144 1 . ASP 111 111 19144 1 . ILE 112 112 19144 1 . LEU 113 113 19144 1 . MET 114 114 19144 1 . ARG 115 115 19144 1 . LEU 116 116 19144 1 . SER 117 117 19144 1 . ALA 118 118 19144 1 . GLN 119 119 19144 1 . MET 120 120 19144 1 . ALA 121 121 19144 1 . ARG 122 122 19144 1 . ARG 123 123 19144 1 . LEU 124 124 19144 1 . GLN 125 125 19144 1 . VAL 126 126 19144 1 . LEU 127 127 19144 1 . ILE 128 128 19144 1 . GLU 129 129 19144 1 . LYS 130 130 19144 1 . VAL 131 131 19144 1 . GLY 132 132 19144 1 . ASN 133 133 19144 1 . LEU 134 134 19144 1 . ALA 135 135 19144 1 . PHE 136 136 19144 1 . LEU 137 137 19144 1 . ASP 138 138 19144 1 . VAL 139 139 19144 1 . THR 140 140 19144 1 . GLY 141 141 19144 1 . ARG 142 142 19144 1 . ILE 143 143 19144 1 . ALA 144 144 19144 1 . GLN 145 145 19144 1 . THR 146 146 19144 1 . LEU 147 147 19144 1 . LEU 148 148 19144 1 . ASN 149 149 19144 1 . LEU 150 150 19144 1 . ALA 151 151 19144 1 . LYS 152 152 19144 1 . GLN 153 153 19144 1 . PRO 154 154 19144 1 . ASP 155 155 19144 1 . ALA 156 156 19144 1 . MET 157 157 19144 1 . THR 158 158 19144 1 . HIS 159 159 19144 1 . PRO 160 160 19144 1 . ASP 161 161 19144 1 . GLY 162 162 19144 1 . MET 163 163 19144 1 . GLN 164 164 19144 1 . ILE 165 165 19144 1 . LYS 166 166 19144 1 . ILE 167 167 19144 1 . THR 168 168 19144 1 . ARG 169 169 19144 1 . GLN 170 170 19144 1 . GLU 171 171 19144 1 . ILE 172 172 19144 1 . GLY 173 173 19144 1 . GLN 174 174 19144 1 . ILE 175 175 19144 1 . VAL 176 176 19144 1 . GLY 177 177 19144 1 . CYS 178 178 19144 1 . SER 179 179 19144 1 . ARG 180 180 19144 1 . GLU 181 181 19144 1 . THR 182 182 19144 1 . VAL 183 183 19144 1 . GLY 184 184 19144 1 . ARG 185 185 19144 1 . ILE 186 186 19144 1 . LEU 187 187 19144 1 . LYS 188 188 19144 1 . MET 189 189 19144 1 . LEU 190 190 19144 1 . GLU 191 191 19144 1 . ASP 192 192 19144 1 . GLN 193 193 19144 1 . ASN 194 194 19144 1 . LEU 195 195 19144 1 . ILE 196 196 19144 1 . SER 197 197 19144 1 . ALA 198 198 19144 1 . HIS 199 199 19144 1 . GLY 200 200 19144 1 . LYS 201 201 19144 1 . THR 202 202 19144 1 . ILE 203 203 19144 1 . VAL 204 204 19144 1 . VAL 205 205 19144 1 . TYR 206 206 19144 1 . GLY 207 207 19144 1 . THR 208 208 19144 1 . ARG 209 209 19144 1 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 19144 _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 . . . . . . . . . . . . . . . . . . . . . 19144 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 19144 _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 . 'purified from the natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19144 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19144 _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 . . . . 19144 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 19144 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'pH [6.0], temp [305], pressure [1], 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 19144 1 pH 6.000 . pH 19144 1 pressure 1.000 . atm 19144 1 temperature 305.000 . K 19144 1 stop_ save_ ############################ # Computer software used # ############################ save_AutoDep _Software.Sf_category software _Software.Sf_framecode AutoDep _Software.Entry_ID 19144 _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 . . 19144 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19144 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 19144 _Software.ID 2 _Software.Name CARA _Software.Version any _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19144 2 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 19144 _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' . . 19144 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19144 3 stop_ save_ save_HADDOCK _Software.Sf_category software _Software.Sf_framecode HADDOCK _Software.Entry_ID 19144 _Software.ID 4 _Software.Name HADDOCK _Software.Version any _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift calculation' 19144 4 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19144 _Software.ID 5 _Software.Name NMRPipe _Software.Version any _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19144 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker_AvanceIII_700 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_AvanceIII_700 _NMR_spectrometer.Entry_ID 19144 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_VARIAN_VNMRS_600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode VARIAN_VNMRS_600 _NMR_spectrometer.Entry_ID 19144 _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_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19144 _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_AvanceIII_700 Bruker AvanceIII . 700 . . . 19144 1 2 VARIAN_VNMRS_600 Varian VNMRS . 600 . . . 19144 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 19144 _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 HNCA no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_AvanceIII_700 . . . . . . . . . . . . . . . . 19144 1 2 HNCACB no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_AvanceIII_700 . . . . . . . . . . . . . . . . 19144 1 3 HNCO no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_AvanceIII_700 . . . . . . . . . . . . . . . . 19144 1 4 HNCOCA no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_AvanceIII_700 . . . . . . . . . . . . . . . . 19144 1 5 3D-15N-NOESY no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_AvanceIII_700 . . . . . . . . . . . . . . . . 19144 1 6 3D-13C-NOESY no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_AvanceIII_700 . . . . . . . . . . . . . . . . 19144 1 7 HNCA no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 2 $VARIAN_VNMRS_600 . . . . . . . . . . . . . . . . 19144 1 8 HNCACB no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 2 $VARIAN_VNMRS_600 . . . . . . . . . . . . . . . . 19144 1 9 HNCO no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 2 $VARIAN_VNMRS_600 . . . . . . . . . . . . . . . . 19144 1 10 HNCOCA no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 2 $VARIAN_VNMRS_600 . . . . . . . . . . . . . . . . 19144 1 11 3D-15N-NOESY no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 2 $VARIAN_VNMRS_600 . . . . . . . . . . . . . . . . 19144 1 12 3D-13C-NOESY no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 2 $VARIAN_VNMRS_600 . . . . . . . . . . . . . . . . 19144 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 19144 _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 . . . . . . 19144 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 19144 _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/4bh9/ebi/CAP_127128_APO_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 1 HNCA 1 $sample_1 solution 19144 1 2 HNCACB 1 $sample_1 solution 19144 1 3 HNCO 1 $sample_1 solution 19144 1 4 HNCOCA 1 $sample_1 solution 19144 1 5 3D-15N-NOESY 1 $sample_1 solution 19144 1 6 3D-13C-NOESY 1 $sample_1 solution 19144 1 7 HNCA 1 $sample_1 solution 19144 1 8 HNCACB 1 $sample_1 solution 19144 1 9 HNCO 1 $sample_1 solution 19144 1 10 HNCOCA 1 $sample_1 solution 19144 1 11 3D-15N-NOESY 1 $sample_1 solution 19144 1 12 3D-13C-NOESY 1 $sample_1 solution 19144 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 C C 13 176.703 0.3 . 1 . 1 . . 1 VAL C . 19144 1 2 . 1 1 1 1 VAL CA C 13 62.051 0.3 . 1 . 2 . . 1 VAL CA . 19144 1 3 . 1 1 1 1 VAL N N 15 125.760 0.3 . 1 . 3 . . 1 VAL N . 19144 1 4 . 1 1 2 2 LEU C C 13 177.745 0.3 . 1 . 4 . . 2 LEU C . 19144 1 5 . 1 1 2 2 LEU CA C 13 54.707 0.3 . 1 . 5 . . 2 LEU CA . 19144 1 6 . 1 1 2 2 LEU N N 15 125.596 0.3 . 1 . 6 . . 2 LEU N . 19144 1 7 . 1 1 3 3 GLY C C 13 173.528 0.3 . 1 . 7 . . 3 GLY C . 19144 1 8 . 1 1 3 3 GLY CA C 13 44.692 0.3 . 1 . 8 . . 3 GLY CA . 19144 1 9 . 1 1 3 3 GLY N N 15 110.182 0.3 . 1 . 9 . . 3 GLY N . 19144 1 10 . 1 1 4 4 LYS CA C 13 53.590 0.3 . 1 . 10 . . 4 LYS CA . 19144 1 11 . 1 1 4 4 LYS N N 15 122.402 0.3 . 1 . 11 . . 4 LYS N . 19144 1 12 . 1 1 6 6 GLN C C 13 176.091 0.3 . 1 . 12 . . 6 GLN C . 19144 1 13 . 1 1 6 6 GLN CA C 13 55.429 0.3 . 1 . 13 . . 6 GLN CA . 19144 1 14 . 1 1 6 6 GLN N N 15 121.052 0.3 . 1 . 14 . . 6 GLN N . 19144 1 15 . 1 1 7 7 THR C C 13 173.577 0.3 . 1 . 15 . . 7 THR C . 19144 1 16 . 1 1 7 7 THR CA C 13 61.384 0.3 . 1 . 16 . . 7 THR CA . 19144 1 17 . 1 1 7 7 THR N N 15 116.264 0.3 . 1 . 17 . . 7 THR N . 19144 1 18 . 1 1 8 8 ASP CA C 13 51.016 0.3 . 1 . 18 . . 8 ASP CA . 19144 1 19 . 1 1 8 8 ASP N N 15 124.003 0.3 . 1 . 19 . . 8 ASP N . 19144 1 20 . 1 1 10 10 THR C C 13 176.273 0.3 . 1 . 20 . . 10 THR C . 19144 1 21 . 1 1 10 10 THR CA C 13 66.352 0.3 . 1 . 21 . . 10 THR CA . 19144 1 22 . 1 1 10 10 THR N N 15 117.480 0.3 . 1 . 22 . . 10 THR N . 19144 1 23 . 1 1 11 11 LEU C C 13 178.588 0.3 . 1 . 23 . . 11 LEU C . 19144 1 24 . 1 1 11 11 LEU CA C 13 57.304 0.3 . 1 . 24 . . 11 LEU CA . 19144 1 25 . 1 1 11 11 LEU N N 15 124.075 0.3 . 1 . 25 . . 11 LEU N . 19144 1 26 . 1 1 12 12 GLU C C 13 179.398 0.3 . 1 . 26 . . 12 GLU C . 19144 1 27 . 1 1 12 12 GLU CA C 13 59.492 0.3 . 1 . 27 . . 12 GLU CA . 19144 1 28 . 1 1 12 12 GLU N N 15 119.184 0.3 . 1 . 28 . . 12 GLU N . 19144 1 29 . 1 1 13 13 TRP C C 13 179.283 0.3 . 1 . 29 . . 13 TRP C . 19144 1 30 . 1 1 13 13 TRP CA C 13 60.629 0.3 . 1 . 30 . . 13 TRP CA . 19144 1 31 . 1 1 13 13 TRP N N 15 121.359 0.3 . 1 . 31 . . 13 TRP N . 19144 1 32 . 1 1 14 14 PHE C C 13 177.447 0.3 . 1 . 32 . . 14 PHE C . 19144 1 33 . 1 1 14 14 PHE CA C 13 60.181 0.3 . 1 . 33 . . 14 PHE CA . 19144 1 34 . 1 1 14 14 PHE N N 15 123.821 0.3 . 1 . 34 . . 14 PHE N . 19144 1 35 . 1 1 15 15 LEU C C 13 179.828 0.3 . 1 . 35 . . 15 LEU C . 19144 1 36 . 1 1 15 15 LEU CA C 13 57.600 0.3 . 1 . 36 . . 15 LEU CA . 19144 1 37 . 1 1 15 15 LEU N N 15 119.914 0.3 . 1 . 37 . . 15 LEU N . 19144 1 38 . 1 1 16 16 SER C C 13 174.553 0.3 . 1 . 38 . . 16 SER C . 19144 1 39 . 1 1 16 16 SER CA C 13 60.419 0.3 . 1 . 39 . . 16 SER CA . 19144 1 40 . 1 1 16 16 SER N N 15 114.863 0.3 . 1 . 40 . . 16 SER N . 19144 1 41 . 1 1 17 17 HIS C C 13 177.563 0.3 . 1 . 41 . . 17 HIS C . 19144 1 42 . 1 1 17 17 HIS CA C 13 56.413 0.3 . 1 . 42 . . 17 HIS CA . 19144 1 43 . 1 1 17 17 HIS N N 15 118.661 0.3 . 1 . 43 . . 17 HIS N . 19144 1 44 . 1 1 18 18 CYS C C 13 173.826 0.3 . 1 . 44 . . 18 CYS C . 19144 1 45 . 1 1 18 18 CYS N N 15 117.081 0.3 . 1 . 45 . . 18 CYS N . 19144 1 46 . 1 1 19 19 HIS C C 13 174.603 0.3 . 1 . 46 . . 19 HIS C . 19144 1 47 . 1 1 19 19 HIS CA C 13 54.105 0.3 . 1 . 47 . . 19 HIS CA . 19144 1 48 . 1 1 19 19 HIS N N 15 118.783 0.3 . 1 . 48 . . 19 HIS N . 19144 1 49 . 1 1 20 20 ILE C C 13 175.380 0.3 . 1 . 49 . . 20 ILE C . 19144 1 50 . 1 1 20 20 ILE CA C 13 59.826 0.3 . 1 . 50 . . 20 ILE CA . 19144 1 51 . 1 1 20 20 ILE N N 15 126.925 0.3 . 1 . 51 . . 20 ILE N . 19144 1 52 . 1 1 21 21 HIS C C 13 173.081 0.3 . 1 . 52 . . 21 HIS C . 19144 1 53 . 1 1 21 21 HIS CA C 13 53.669 0.3 . 1 . 53 . . 21 HIS CA . 19144 1 54 . 1 1 21 21 HIS N N 15 127.095 0.3 . 1 . 54 . . 21 HIS N . 19144 1 55 . 1 1 22 22 LYS C C 13 175.678 0.3 . 1 . 55 . . 22 LYS C . 19144 1 56 . 1 1 22 22 LYS CA C 13 55.061 0.3 . 1 . 56 . . 22 LYS CA . 19144 1 57 . 1 1 22 22 LYS N N 15 123.546 0.3 . 1 . 57 . . 22 LYS N . 19144 1 58 . 1 1 23 23 TYR CA C 13 55.004 0.3 . 1 . 58 . . 23 TYR CA . 19144 1 59 . 1 1 23 23 TYR N N 15 122.736 0.3 . 1 . 59 . . 23 TYR N . 19144 1 60 . 1 1 25 25 SER C C 13 174.685 0.3 . 1 . 60 . . 25 SER C . 19144 1 61 . 1 1 25 25 SER N N 15 116.202 0.3 . 1 . 61 . . 25 SER N . 19144 1 62 . 1 1 26 26 LYS C C 13 175.760 0.3 . 1 . 62 . . 26 LYS C . 19144 1 63 . 1 1 26 26 LYS CA C 13 58.837 0.3 . 1 . 63 . . 26 LYS CA . 19144 1 64 . 1 1 26 26 LYS N N 15 117.037 0.3 . 1 . 64 . . 26 LYS N . 19144 1 65 . 1 1 27 27 SER C C 13 173.743 0.3 . 1 . 65 . . 27 SER C . 19144 1 66 . 1 1 27 27 SER CA C 13 59.084 0.3 . 1 . 66 . . 27 SER CA . 19144 1 67 . 1 1 27 27 SER N N 15 115.567 0.3 . 1 . 67 . . 27 SER N . 19144 1 68 . 1 1 28 28 THR C C 13 173.627 0.3 . 1 . 68 . . 28 THR C . 19144 1 69 . 1 1 28 28 THR CA C 13 63.353 0.3 . 1 . 69 . . 28 THR CA . 19144 1 70 . 1 1 28 28 THR N N 15 121.191 0.3 . 1 . 70 . . 28 THR N . 19144 1 71 . 1 1 29 29 LEU CA C 13 57.492 0.3 . 1 . 71 . . 29 LEU CA . 19144 1 72 . 1 1 29 29 LEU N N 15 128.776 0.3 . 1 . 72 . . 29 LEU N . 19144 1 73 . 1 1 31 31 HIS CA C 13 53.669 0.3 . 1 . 73 . . 31 HIS CA . 19144 1 74 . 1 1 31 31 HIS N N 15 124.807 0.3 . 1 . 74 . . 31 HIS N . 19144 1 75 . 1 1 33 33 GLY C C 13 173.726 0.3 . 1 . 75 . . 33 GLY C . 19144 1 76 . 1 1 33 33 GLY CA C 13 44.545 0.3 . 1 . 76 . . 33 GLY CA . 19144 1 77 . 1 1 33 33 GLY N N 15 114.416 0.3 . 1 . 77 . . 33 GLY N . 19144 1 78 . 1 1 34 34 GLU C C 13 175.876 0.3 . 1 . 78 . . 34 GLU C . 19144 1 79 . 1 1 34 34 GLU CA C 13 55.160 0.3 . 1 . 79 . . 34 GLU CA . 19144 1 80 . 1 1 34 34 GLU N N 15 119.275 0.3 . 1 . 80 . . 34 GLU N . 19144 1 81 . 1 1 35 35 LYS C C 13 176.572 0.3 . 1 . 81 . . 35 LYS C . 19144 1 82 . 1 1 35 35 LYS N N 15 122.394 0.3 . 1 . 82 . . 35 LYS N . 19144 1 83 . 1 1 36 36 ALA CA C 13 52.111 0.3 . 1 . 83 . . 36 ALA CA . 19144 1 84 . 1 1 36 36 ALA N N 15 128.738 0.3 . 1 . 84 . . 36 ALA N . 19144 1 85 . 1 1 38 38 THR CA C 13 60.733 0.3 . 1 . 85 . . 38 THR CA . 19144 1 86 . 1 1 38 38 THR N N 15 114.589 0.3 . 1 . 86 . . 38 THR N . 19144 1 87 . 1 1 39 39 LEU C C 13 179.208 0.3 . 1 . 87 . . 39 LEU C . 19144 1 88 . 1 1 39 39 LEU N N 15 126.956 0.3 . 1 . 88 . . 39 LEU N . 19144 1 89 . 1 1 40 40 TYR CA C 13 58.076 0.3 . 1 . 89 . . 40 TYR CA . 19144 1 90 . 1 1 40 40 TYR N N 15 121.419 0.3 . 1 . 90 . . 40 TYR N . 19144 1 91 . 1 1 41 41 TYR N N 15 118.354 0.3 . 1 . 91 . . 41 TYR N . 19144 1 92 . 1 1 43 43 VAL C C 13 175.992 0.3 . 1 . 92 . . 43 VAL C . 19144 1 93 . 1 1 43 43 VAL CA C 13 59.198 0.3 . 1 . 93 . . 43 VAL CA . 19144 1 94 . 1 1 43 43 VAL N N 15 118.333 0.3 . 1 . 94 . . 43 VAL N . 19144 1 95 . 1 1 44 44 LYS C C 13 174.586 0.3 . 1 . 95 . . 44 LYS C . 19144 1 96 . 1 1 44 44 LYS CA C 13 61.414 0.3 . 1 . 96 . . 44 LYS CA . 19144 1 97 . 1 1 44 44 LYS N N 15 116.643 0.3 . 1 . 97 . . 44 LYS N . 19144 1 98 . 1 1 45 45 GLY C C 13 171.180 0.3 . 1 . 98 . . 45 GLY C . 19144 1 99 . 1 1 45 45 GLY CA C 13 43.653 0.3 . 1 . 99 . . 45 GLY CA . 19144 1 100 . 1 1 45 45 GLY N N 15 112.843 0.3 . 1 . 100 . . 45 GLY N . 19144 1 101 . 1 1 46 46 SER C C 13 174.140 0.3 . 1 . 101 . . 46 SER C . 19144 1 102 . 1 1 46 46 SER CA C 13 56.413 0.3 . 1 . 102 . . 46 SER CA . 19144 1 103 . 1 1 46 46 SER N N 15 110.065 0.3 . 1 . 103 . . 46 SER N . 19144 1 104 . 1 1 47 47 VAL CA C 13 58.268 0.3 . 1 . 104 . . 47 VAL CA . 19144 1 105 . 1 1 47 47 VAL N N 15 116.327 0.3 . 1 . 105 . . 47 VAL N . 19144 1 106 . 1 1 50 50 LEU C C 13 174.222 0.3 . 1 . 106 . . 50 LEU C . 19144 1 107 . 1 1 50 50 LEU CA C 13 54.262 0.3 . 1 . 107 . . 50 LEU CA . 19144 1 108 . 1 1 50 50 LEU N N 15 127.172 0.3 . 1 . 108 . . 50 LEU N . 19144 1 109 . 1 1 51 51 ILE C C 13 174.422 0.3 . 1 . 109 . . 51 ILE C . 19144 1 110 . 1 1 51 51 ILE CA C 13 59.307 0.3 . 1 . 110 . . 51 ILE CA . 19144 1 111 . 1 1 51 51 ILE N N 15 114.548 0.3 . 1 . 111 . . 51 ILE N . 19144 1 112 . 1 1 52 52 LYS C C 13 176.422 0.3 . 1 . 112 . . 52 LYS C . 19144 1 113 . 1 1 52 52 LYS CA C 13 54.179 0.3 . 1 . 113 . . 52 LYS CA . 19144 1 114 . 1 1 52 52 LYS N N 15 120.470 0.3 . 1 . 114 . . 52 LYS N . 19144 1 115 . 1 1 53 53 ASP C C 13 178.340 0.3 . 1 . 115 . . 53 ASP C . 19144 1 116 . 1 1 53 53 ASP N N 15 123.383 0.3 . 1 . 116 . . 53 ASP N . 19144 1 117 . 1 1 54 54 GLU C C 13 178.952 0.3 . 1 . 117 . . 54 GLU C . 19144 1 118 . 1 1 54 54 GLU CA C 13 58.268 0.3 . 1 . 118 . . 54 GLU CA . 19144 1 119 . 1 1 54 54 GLU N N 15 117.910 0.3 . 1 . 119 . . 54 GLU N . 19144 1 120 . 1 1 55 55 GLU C C 13 177.579 0.3 . 1 . 120 . . 55 GLU C . 19144 1 121 . 1 1 55 55 GLU CA C 13 64.887 0.3 . 1 . 121 . . 55 GLU CA . 19144 1 122 . 1 1 55 55 GLU N N 15 117.323 0.3 . 1 . 122 . . 55 GLU N . 19144 1 123 . 1 1 56 56 GLY C C 13 174.702 0.3 . 1 . 123 . . 56 GLY C . 19144 1 124 . 1 1 56 56 GLY CA C 13 46.363 0.3 . 1 . 124 . . 56 GLY CA . 19144 1 125 . 1 1 56 56 GLY N N 15 107.842 0.3 . 1 . 125 . . 56 GLY N . 19144 1 126 . 1 1 57 57 LYS C C 13 176.074 0.3 . 1 . 126 . . 57 LYS C . 19144 1 127 . 1 1 57 57 LYS CA C 13 54.138 0.3 . 1 . 127 . . 57 LYS CA . 19144 1 128 . 1 1 57 57 LYS N N 15 118.764 0.3 . 1 . 128 . . 57 LYS N . 19144 1 129 . 1 1 58 58 GLU C C 13 176.141 0.3 . 1 . 129 . . 58 GLU C . 19144 1 130 . 1 1 58 58 GLU CA C 13 55.502 0.3 . 1 . 130 . . 58 GLU CA . 19144 1 131 . 1 1 58 58 GLU N N 15 121.591 0.3 . 1 . 131 . . 58 GLU N . 19144 1 132 . 1 1 59 59 MET C C 13 174.123 0.3 . 1 . 132 . . 59 MET C . 19144 1 133 . 1 1 59 59 MET CA C 13 54.039 0.3 . 1 . 133 . . 59 MET CA . 19144 1 134 . 1 1 59 59 MET N N 15 123.837 0.3 . 1 . 134 . . 59 MET N . 19144 1 135 . 1 1 60 60 ILE C C 13 175.942 0.3 . 1 . 135 . . 60 ILE C . 19144 1 136 . 1 1 60 60 ILE CA C 13 60.865 0.3 . 1 . 136 . . 60 ILE CA . 19144 1 137 . 1 1 60 60 ILE N N 15 125.960 0.3 . 1 . 137 . . 60 ILE N . 19144 1 138 . 1 1 61 61 LEU C C 13 177.100 0.3 . 1 . 138 . . 61 LEU C . 19144 1 139 . 1 1 61 61 LEU CA C 13 55.672 0.3 . 1 . 139 . . 61 LEU CA . 19144 1 140 . 1 1 61 61 LEU N N 15 129.060 0.3 . 1 . 140 . . 61 LEU N . 19144 1 141 . 1 1 62 62 SER C C 13 171.461 0.3 . 1 . 141 . . 62 SER C . 19144 1 142 . 1 1 62 62 SER CA C 13 57.201 0.3 . 1 . 142 . . 62 SER CA . 19144 1 143 . 1 1 62 62 SER N N 15 109.941 0.3 . 1 . 143 . . 62 SER N . 19144 1 144 . 1 1 63 63 TYR C C 13 175.565 0.3 . 1 . 144 . . 63 TYR C . 19144 1 145 . 1 1 63 63 TYR CA C 13 56.753 0.3 . 1 . 145 . . 63 TYR CA . 19144 1 146 . 1 1 63 63 TYR N N 15 119.871 0.3 . 1 . 146 . . 63 TYR N . 19144 1 147 . 1 1 64 64 LEU C C 13 175.446 0.3 . 1 . 147 . . 64 LEU C . 19144 1 148 . 1 1 64 64 LEU N N 15 122.399 0.3 . 1 . 148 . . 64 LEU N . 19144 1 149 . 1 1 65 65 ASN C C 13 173.230 0.3 . 1 . 149 . . 65 ASN C . 19144 1 150 . 1 1 65 65 ASN CA C 13 51.740 0.3 . 1 . 150 . . 65 ASN CA . 19144 1 151 . 1 1 65 65 ASN N N 15 121.966 0.3 . 1 . 151 . . 65 ASN N . 19144 1 152 . 1 1 66 66 GLN C C 13 176.124 0.3 . 1 . 152 . . 66 GLN C . 19144 1 153 . 1 1 66 66 GLN CA C 13 56.475 0.3 . 1 . 153 . . 66 GLN CA . 19144 1 154 . 1 1 66 66 GLN N N 15 118.079 0.3 . 1 . 154 . . 66 GLN N . 19144 1 155 . 1 1 67 67 GLY C C 13 173.313 0.3 . 1 . 155 . . 67 GLY C . 19144 1 156 . 1 1 67 67 GLY CA C 13 43.508 0.3 . 1 . 156 . . 67 GLY CA . 19144 1 157 . 1 1 67 67 GLY N N 15 114.718 0.3 . 1 . 157 . . 67 GLY N . 19144 1 158 . 1 1 68 68 ASP CA C 13 53.378 0.3 . 1 . 158 . . 68 ASP CA . 19144 1 159 . 1 1 68 68 ASP N N 15 120.011 0.3 . 1 . 159 . . 68 ASP N . 19144 1 160 . 1 1 70 70 ILE C C 13 177.960 0.3 . 1 . 160 . . 70 ILE C . 19144 1 161 . 1 1 70 70 ILE N N 15 118.019 0.3 . 1 . 161 . . 70 ILE N . 19144 1 162 . 1 1 71 71 GLY C C 13 176.389 0.3 . 1 . 162 . . 71 GLY C . 19144 1 163 . 1 1 71 71 GLY CA C 13 45.840 0.3 . 1 . 163 . . 71 GLY CA . 19144 1 164 . 1 1 71 71 GLY N N 15 112.313 0.3 . 1 . 164 . . 71 GLY N . 19144 1 165 . 1 1 72 72 GLU CA C 13 58.491 0.3 . 1 . 165 . . 72 GLU CA . 19144 1 166 . 1 1 72 72 GLU N N 15 125.206 0.3 . 1 . 166 . . 72 GLU N . 19144 1 167 . 1 1 74 74 GLY C C 13 173.693 0.3 . 1 . 167 . . 74 GLY C . 19144 1 168 . 1 1 74 74 GLY CA C 13 45.581 0.3 . 1 . 168 . . 74 GLY CA . 19144 1 169 . 1 1 74 74 GLY N N 15 105.608 0.3 . 1 . 169 . . 74 GLY N . 19144 1 170 . 1 1 75 75 LEU C C 13 176.392 0.3 . 1 . 170 . . 75 LEU C . 19144 1 171 . 1 1 75 75 LEU CA C 13 55.648 0.3 . 1 . 171 . . 75 LEU CA . 19144 1 172 . 1 1 75 75 LEU N N 15 120.393 0.3 . 1 . 172 . . 75 LEU N . 19144 1 173 . 1 1 76 76 PHE C C 13 174.867 0.3 . 1 . 173 . . 76 PHE C . 19144 1 174 . 1 1 76 76 PHE CA C 13 57.749 0.3 . 1 . 174 . . 76 PHE CA . 19144 1 175 . 1 1 76 76 PHE N N 15 113.537 0.3 . 1 . 175 . . 76 PHE N . 19144 1 176 . 1 1 77 77 GLU C C 13 174.305 0.3 . 1 . 176 . . 77 GLU C . 19144 1 177 . 1 1 77 77 GLU CA C 13 54.883 0.3 . 1 . 177 . . 77 GLU CA . 19144 1 178 . 1 1 77 77 GLU N N 15 120.448 0.3 . 1 . 178 . . 77 GLU N . 19144 1 179 . 1 1 78 78 GLU C C 13 176.207 0.3 . 1 . 179 . . 78 GLU C . 19144 1 180 . 1 1 78 78 GLU N N 15 123.245 0.3 . 1 . 180 . . 78 GLU N . 19144 1 181 . 1 1 79 79 GLY C C 13 175.628 0.3 . 1 . 181 . . 79 GLY C . 19144 1 182 . 1 1 79 79 GLY CA C 13 45.582 0.3 . 1 . 182 . . 79 GLY CA . 19144 1 183 . 1 1 79 79 GLY N N 15 112.122 0.3 . 1 . 183 . . 79 GLY N . 19144 1 184 . 1 1 80 80 GLN C C 13 175.628 0.3 . 1 . 184 . . 80 GLN C . 19144 1 185 . 1 1 80 80 GLN CA C 13 55.355 0.3 . 1 . 185 . . 80 GLN CA . 19144 1 186 . 1 1 80 80 GLN N N 15 120.443 0.3 . 1 . 186 . . 80 GLN N . 19144 1 187 . 1 1 81 81 GLU C C 13 177.331 0.3 . 1 . 187 . . 81 GLU C . 19144 1 188 . 1 1 81 81 GLU CA C 13 54.473 0.3 . 1 . 188 . . 81 GLU CA . 19144 1 189 . 1 1 81 81 GLU N N 15 122.381 0.3 . 1 . 189 . . 81 GLU N . 19144 1 190 . 1 1 82 82 ARG C C 13 178.373 0.3 . 1 . 190 . . 82 ARG C . 19144 1 191 . 1 1 82 82 ARG CA C 13 54.633 0.3 . 1 . 191 . . 82 ARG CA . 19144 1 192 . 1 1 82 82 ARG N N 15 120.358 0.3 . 1 . 192 . . 82 ARG N . 19144 1 193 . 1 1 83 83 SER C C 13 172.916 0.3 . 1 . 193 . . 83 SER C . 19144 1 194 . 1 1 83 83 SER CA C 13 59.032 0.3 . 1 . 194 . . 83 SER CA . 19144 1 195 . 1 1 83 83 SER N N 15 121.219 0.3 . 1 . 195 . . 83 SER N . 19144 1 196 . 1 1 84 84 ALA C C 13 175.727 0.3 . 1 . 196 . . 84 ALA C . 19144 1 197 . 1 1 84 84 ALA CA C 13 50.835 0.3 . 1 . 197 . . 84 ALA CA . 19144 1 198 . 1 1 84 84 ALA N N 15 122.902 0.3 . 1 . 198 . . 84 ALA N . 19144 1 199 . 1 1 85 85 TRP C C 13 175.793 0.3 . 1 . 199 . . 85 TRP C . 19144 1 200 . 1 1 85 85 TRP CA C 13 56.562 0.3 . 1 . 200 . . 85 TRP CA . 19144 1 201 . 1 1 85 85 TRP N N 15 119.141 0.3 . 1 . 201 . . 85 TRP N . 19144 1 202 . 1 1 86 86 VAL C C 13 174.950 0.3 . 1 . 202 . . 86 VAL C . 19144 1 203 . 1 1 86 86 VAL CA C 13 60.650 0.3 . 1 . 203 . . 86 VAL CA . 19144 1 204 . 1 1 86 86 VAL N N 15 119.270 0.3 . 1 . 204 . . 86 VAL N . 19144 1 205 . 1 1 87 87 ARG C C 13 174.735 0.3 . 1 . 205 . . 87 ARG C . 19144 1 206 . 1 1 87 87 ARG CA C 13 53.223 0.3 . 1 . 206 . . 87 ARG CA . 19144 1 207 . 1 1 87 87 ARG N N 15 129.152 0.3 . 1 . 207 . . 87 ARG N . 19144 1 208 . 1 1 88 88 ALA C C 13 177.679 0.3 . 1 . 208 . . 88 ALA C . 19144 1 209 . 1 1 88 88 ALA CA C 13 53.075 0.3 . 1 . 209 . . 88 ALA CA . 19144 1 210 . 1 1 88 88 ALA N N 15 128.926 0.3 . 1 . 210 . . 88 ALA N . 19144 1 211 . 1 1 89 89 LYS C C 13 176.703 0.3 . 1 . 211 . . 89 LYS C . 19144 1 212 . 1 1 89 89 LYS CA C 13 56.934 0.3 . 1 . 212 . . 89 LYS CA . 19144 1 213 . 1 1 89 89 LYS N N 15 129.753 0.3 . 1 . 213 . . 89 LYS N . 19144 1 214 . 1 1 90 90 THR C C 13 173.776 0.3 . 1 . 214 . . 90 THR C . 19144 1 215 . 1 1 90 90 THR CA C 13 59.079 0.3 . 1 . 215 . . 90 THR CA . 19144 1 216 . 1 1 90 90 THR N N 15 110.073 0.3 . 1 . 216 . . 90 THR N . 19144 1 217 . 1 1 91 91 ALA C C 13 180.093 0.3 . 1 . 217 . . 91 ALA C . 19144 1 218 . 1 1 91 91 ALA CA C 13 53.517 0.3 . 1 . 218 . . 91 ALA CA . 19144 1 219 . 1 1 91 91 ALA N N 15 122.027 0.3 . 1 . 219 . . 91 ALA N . 19144 1 220 . 1 1 92 92 CYS C C 13 173.759 0.3 . 1 . 220 . . 92 CYS C . 19144 1 221 . 1 1 92 92 CYS CA C 13 56.859 0.3 . 1 . 221 . . 92 CYS CA . 19144 1 222 . 1 1 92 92 CYS N N 15 121.134 0.3 . 1 . 222 . . 92 CYS N . 19144 1 223 . 1 1 93 93 GLU CA C 13 55.449 0.3 . 1 . 223 . . 93 GLU CA . 19144 1 224 . 1 1 93 93 GLU N N 15 124.902 0.3 . 1 . 224 . . 93 GLU N . 19144 1 225 . 1 1 96 96 GLU CA C 13 54.031 0.3 . 1 . 225 . . 96 GLU CA . 19144 1 226 . 1 1 96 96 GLU N N 15 121.843 0.3 . 1 . 226 . . 96 GLU N . 19144 1 227 . 1 1 98 98 SER C C 13 175.711 0.3 . 1 . 227 . . 98 SER C . 19144 1 228 . 1 1 98 98 SER CA C 13 57.699 0.3 . 1 . 228 . . 98 SER CA . 19144 1 229 . 1 1 98 98 SER N N 15 124.136 0.3 . 1 . 229 . . 98 SER N . 19144 1 230 . 1 1 99 99 TYR C C 13 178.423 0.3 . 1 . 230 . . 99 TYR C . 19144 1 231 . 1 1 99 99 TYR CA C 13 57.782 0.3 . 1 . 231 . . 99 TYR CA . 19144 1 232 . 1 1 99 99 TYR N N 15 122.118 0.3 . 1 . 232 . . 99 TYR N . 19144 1 233 . 1 1 100 100 LYS C C 13 179.183 0.3 . 1 . 233 . . 100 LYS C . 19144 1 234 . 1 1 100 100 LYS CA C 13 59.400 0.3 . 1 . 234 . . 100 LYS CA . 19144 1 235 . 1 1 100 100 LYS N N 15 117.251 0.3 . 1 . 235 . . 100 LYS N . 19144 1 236 . 1 1 101 101 LYS C C 13 179.349 0.3 . 1 . 236 . . 101 LYS C . 19144 1 237 . 1 1 101 101 LYS CA C 13 58.074 0.3 . 1 . 237 . . 101 LYS CA . 19144 1 238 . 1 1 101 101 LYS N N 15 120.374 0.3 . 1 . 238 . . 101 LYS N . 19144 1 239 . 1 1 102 102 PHE C C 13 176.852 0.3 . 1 . 239 . . 102 PHE C . 19144 1 240 . 1 1 102 102 PHE CA C 13 62.342 0.3 . 1 . 240 . . 102 PHE CA . 19144 1 241 . 1 1 102 102 PHE N N 15 122.093 0.3 . 1 . 241 . . 102 PHE N . 19144 1 242 . 1 1 103 103 ARG C C 13 178.704 0.3 . 1 . 242 . . 103 ARG C . 19144 1 243 . 1 1 103 103 ARG CA C 13 59.529 0.3 . 1 . 243 . . 103 ARG CA . 19144 1 244 . 1 1 103 103 ARG N N 15 115.680 0.3 . 1 . 244 . . 103 ARG N . 19144 1 245 . 1 1 104 104 GLN CA C 13 58.122 0.3 . 1 . 245 . . 104 GLN CA . 19144 1 246 . 1 1 104 104 GLN N N 15 117.688 0.3 . 1 . 246 . . 104 GLN N . 19144 1 247 . 1 1 105 105 LEU C C 13 179.415 0.3 . 1 . 247 . . 105 LEU C . 19144 1 248 . 1 1 105 105 LEU CA C 13 57.378 0.3 . 1 . 248 . . 105 LEU CA . 19144 1 249 . 1 1 105 105 LEU N N 15 120.143 0.3 . 1 . 249 . . 105 LEU N . 19144 1 250 . 1 1 106 106 ILE C C 13 175.297 0.3 . 1 . 250 . . 106 ILE C . 19144 1 251 . 1 1 106 106 ILE CA C 13 63.980 0.3 . 1 . 251 . . 106 ILE CA . 19144 1 252 . 1 1 106 106 ILE N N 15 116.452 0.3 . 1 . 252 . . 106 ILE N . 19144 1 253 . 1 1 107 107 GLN C C 13 174.107 0.3 . 1 . 253 . . 107 GLN C . 19144 1 254 . 1 1 107 107 GLN CA C 13 56.784 0.3 . 1 . 254 . . 107 GLN CA . 19144 1 255 . 1 1 107 107 GLN N N 15 112.579 0.3 . 1 . 255 . . 107 GLN N . 19144 1 256 . 1 1 108 108 VAL C C 13 176.455 0.3 . 1 . 256 . . 108 VAL C . 19144 1 257 . 1 1 108 108 VAL CA C 13 63.597 0.3 . 1 . 257 . . 108 VAL CA . 19144 1 258 . 1 1 108 108 VAL N N 15 117.034 0.3 . 1 . 258 . . 108 VAL N . 19144 1 259 . 1 1 109 109 ASN CA C 13 49.918 0.3 . 1 . 259 . . 109 ASN CA . 19144 1 260 . 1 1 109 109 ASN N N 15 114.538 0.3 . 1 . 260 . . 109 ASN N . 19144 1 261 . 1 1 111 111 ASP C C 13 179.150 0.3 . 1 . 261 . . 111 ASP C . 19144 1 262 . 1 1 111 111 ASP CA C 13 56.983 0.3 . 1 . 262 . . 111 ASP CA . 19144 1 263 . 1 1 111 111 ASP N N 15 120.248 0.3 . 1 . 263 . . 111 ASP N . 19144 1 264 . 1 1 112 112 ILE C C 13 176.240 0.3 . 1 . 264 . . 112 ILE C . 19144 1 265 . 1 1 112 112 ILE CA C 13 60.716 0.3 . 1 . 265 . . 112 ILE CA . 19144 1 266 . 1 1 112 112 ILE N N 15 116.070 0.3 . 1 . 266 . . 112 ILE N . 19144 1 267 . 1 1 113 113 LEU C C 13 178.886 0.3 . 1 . 267 . . 113 LEU C . 19144 1 268 . 1 1 113 113 LEU CA C 13 55.894 0.3 . 1 . 268 . . 113 LEU CA . 19144 1 269 . 1 1 113 113 LEU N N 15 122.993 0.3 . 1 . 269 . . 113 LEU N . 19144 1 270 . 1 1 114 114 MET C C 13 178.092 0.3 . 1 . 270 . . 114 MET C . 19144 1 271 . 1 1 114 114 MET CA C 13 58.182 0.3 . 1 . 271 . . 114 MET CA . 19144 1 272 . 1 1 114 114 MET N N 15 122.102 0.3 . 1 . 272 . . 114 MET N . 19144 1 273 . 1 1 115 115 ARG C C 13 179.051 0.3 . 1 . 273 . . 115 ARG C . 19144 1 274 . 1 1 115 115 ARG CA C 13 58.077 0.3 . 1 . 274 . . 115 ARG CA . 19144 1 275 . 1 1 115 115 ARG N N 15 117.896 0.3 . 1 . 275 . . 115 ARG N . 19144 1 276 . 1 1 116 116 LEU C C 13 178.704 0.3 . 1 . 276 . . 116 LEU C . 19144 1 277 . 1 1 116 116 LEU CA C 13 57.897 0.3 . 1 . 277 . . 116 LEU CA . 19144 1 278 . 1 1 116 116 LEU N N 15 121.484 0.3 . 1 . 278 . . 116 LEU N . 19144 1 279 . 1 1 117 117 SER C C 13 174.834 0.3 . 1 . 279 . . 117 SER C . 19144 1 280 . 1 1 117 117 SER CA C 13 62.268 0.3 . 1 . 280 . . 117 SER CA . 19144 1 281 . 1 1 117 117 SER N N 15 117.347 0.3 . 1 . 281 . . 117 SER N . 19144 1 282 . 1 1 118 118 ALA C C 13 180.324 0.3 . 1 . 282 . . 118 ALA C . 19144 1 283 . 1 1 118 118 ALA CA C 13 54.262 0.3 . 1 . 283 . . 118 ALA CA . 19144 1 284 . 1 1 118 118 ALA N N 15 123.873 0.3 . 1 . 284 . . 118 ALA N . 19144 1 285 . 1 1 119 119 GLN C C 13 178.820 0.3 . 1 . 285 . . 119 GLN C . 19144 1 286 . 1 1 119 119 GLN CA C 13 58.808 0.3 . 1 . 286 . . 119 GLN CA . 19144 1 287 . 1 1 119 119 GLN N N 15 118.094 0.3 . 1 . 287 . . 119 GLN N . 19144 1 288 . 1 1 120 120 MET C C 13 177.348 0.3 . 1 . 288 . . 120 MET C . 19144 1 289 . 1 1 120 120 MET CA C 13 59.878 0.3 . 1 . 289 . . 120 MET CA . 19144 1 290 . 1 1 120 120 MET N N 15 119.916 0.3 . 1 . 290 . . 120 MET N . 19144 1 291 . 1 1 121 121 ALA C C 13 179.299 0.3 . 1 . 291 . . 121 ALA C . 19144 1 292 . 1 1 121 121 ALA CA C 13 54.590 0.3 . 1 . 292 . . 121 ALA CA . 19144 1 293 . 1 1 121 121 ALA N N 15 121.062 0.3 . 1 . 293 . . 121 ALA N . 19144 1 294 . 1 1 122 122 ARG C C 13 178.853 0.3 . 1 . 294 . . 122 ARG C . 19144 1 295 . 1 1 122 122 ARG CA C 13 58.855 0.3 . 1 . 295 . . 122 ARG CA . 19144 1 296 . 1 1 122 122 ARG N N 15 118.646 0.3 . 1 . 296 . . 122 ARG N . 19144 1 297 . 1 1 123 123 ARG C C 13 178.853 0.3 . 1 . 297 . . 123 ARG C . 19144 1 298 . 1 1 123 123 ARG CA C 13 58.532 0.3 . 1 . 298 . . 123 ARG CA . 19144 1 299 . 1 1 123 123 ARG N N 15 119.680 0.3 . 1 . 299 . . 123 ARG N . 19144 1 300 . 1 1 124 124 LEU C C 13 178.968 0.3 . 1 . 300 . . 124 LEU C . 19144 1 301 . 1 1 124 124 LEU CA C 13 65.725 0.3 . 1 . 301 . . 124 LEU CA . 19144 1 302 . 1 1 124 124 LEU N N 15 118.989 0.3 . 1 . 302 . . 124 LEU N . 19144 1 303 . 1 1 125 125 GLN C C 13 178.968 0.3 . 1 . 303 . . 125 GLN C . 19144 1 304 . 1 1 125 125 GLN CA C 13 57.594 0.3 . 1 . 304 . . 125 GLN CA . 19144 1 305 . 1 1 125 125 GLN N N 15 121.427 0.3 . 1 . 305 . . 125 GLN N . 19144 1 306 . 1 1 126 126 VAL C C 13 176.504 0.3 . 1 . 306 . . 126 VAL C . 19144 1 307 . 1 1 126 126 VAL N N 15 120.122 0.3 . 1 . 307 . . 126 VAL N . 19144 1 308 . 1 1 127 127 LEU C C 13 178.770 0.3 . 1 . 308 . . 127 LEU C . 19144 1 309 . 1 1 127 127 LEU CA C 13 57.897 0.3 . 1 . 309 . . 127 LEU CA . 19144 1 310 . 1 1 127 127 LEU N N 15 119.232 0.3 . 1 . 310 . . 127 LEU N . 19144 1 311 . 1 1 128 128 ILE C C 13 178.671 0.3 . 1 . 311 . . 128 ILE C . 19144 1 312 . 1 1 128 128 ILE CA C 13 65.569 0.3 . 1 . 312 . . 128 ILE CA . 19144 1 313 . 1 1 128 128 ILE N N 15 120.789 0.3 . 1 . 313 . . 128 ILE N . 19144 1 314 . 1 1 129 129 GLU CA C 13 58.750 0.3 . 1 . 314 . . 129 GLU CA . 19144 1 315 . 1 1 129 129 GLU N N 15 119.854 0.3 . 1 . 315 . . 129 GLU N . 19144 1 316 . 1 1 131 131 VAL C C 13 176.686 0.3 . 1 . 316 . . 131 VAL C . 19144 1 317 . 1 1 131 131 VAL CA C 13 55.672 0.3 . 1 . 317 . . 131 VAL CA . 19144 1 318 . 1 1 131 131 VAL N N 15 118.490 0.3 . 1 . 318 . . 131 VAL N . 19144 1 319 . 1 1 132 132 GLY C C 13 172.899 0.3 . 1 . 319 . . 132 GLY C . 19144 1 320 . 1 1 132 132 GLY CA C 13 44.878 0.3 . 1 . 320 . . 132 GLY CA . 19144 1 321 . 1 1 132 132 GLY N N 15 109.098 0.3 . 1 . 321 . . 132 GLY N . 19144 1 322 . 1 1 133 133 ASN C C 13 176.273 0.3 . 1 . 322 . . 133 ASN C . 19144 1 323 . 1 1 133 133 ASN CA C 13 53.517 0.3 . 1 . 323 . . 133 ASN CA . 19144 1 324 . 1 1 133 133 ASN N N 15 120.634 0.3 . 1 . 324 . . 133 ASN N . 19144 1 325 . 1 1 134 134 LEU C C 13 177.464 0.3 . 1 . 325 . . 134 LEU C . 19144 1 326 . 1 1 134 134 LEU CA C 13 55.533 0.3 . 1 . 326 . . 134 LEU CA . 19144 1 327 . 1 1 134 134 LEU N N 15 120.297 0.3 . 1 . 327 . . 134 LEU N . 19144 1 328 . 1 1 135 135 ALA C C 13 177.546 0.3 . 1 . 328 . . 135 ALA C . 19144 1 329 . 1 1 135 135 ALA CA C 13 52.781 0.3 . 1 . 329 . . 135 ALA CA . 19144 1 330 . 1 1 135 135 ALA N N 15 121.384 0.3 . 1 . 330 . . 135 ALA N . 19144 1 331 . 1 1 136 136 PHE C C 13 175.661 0.3 . 1 . 331 . . 136 PHE C . 19144 1 332 . 1 1 136 136 PHE CA C 13 56.608 0.3 . 1 . 332 . . 136 PHE CA . 19144 1 333 . 1 1 136 136 PHE N N 15 117.080 0.3 . 1 . 333 . . 136 PHE N . 19144 1 334 . 1 1 137 137 LEU C C 13 176.124 0.3 . 1 . 334 . . 137 LEU C . 19144 1 335 . 1 1 137 137 LEU CA C 13 54.781 0.3 . 1 . 335 . . 137 LEU CA . 19144 1 336 . 1 1 137 137 LEU N N 15 122.811 0.3 . 1 . 336 . . 137 LEU N . 19144 1 337 . 1 1 138 138 ASP C C 13 175.661 0.3 . 1 . 337 . . 138 ASP C . 19144 1 338 . 1 1 138 138 ASP CA C 13 55.317 0.3 . 1 . 338 . . 138 ASP CA . 19144 1 339 . 1 1 138 138 ASP N N 15 126.453 0.3 . 1 . 339 . . 138 ASP N . 19144 1 stop_ save_