data_15138 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15138 _Entry.Title ; 13C and 15N resonance assignments for the major coat protein in Pf1 filamentous bacteriophage ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-02-21 _Entry.Accession_date 2007-02-21 _Entry.Last_release_date 2007-03-06 _Entry.Original_release_date 2007-03-06 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solid-state _Entry.Details 'Magic-Angle Spinning NMR' _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 Amir Goldbourt . . . 15138 2 Benjamin Gross . J. . 15138 3 Loren Day . A. . 15138 4 Ann McDermott . E. . 15138 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'Public Health Research Institute, Newark, NJ' . 15138 1 . 'Columbia University, New York, NY' . 15138 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 4 15138 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 196 15138 '15N chemical shifts' 49 15138 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 1 . . 2007-03-06 2007-02-21 original author . 15138 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 5877 '15N shifts and HN dipolar couplings for an aligned sample' 15138 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15138 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17279748 _Citation.Full_citation . _Citation.Title ; Filamentous phage studied by magic-angle spinning NMR: resonance assignment and secondary structure of the coat protein in Pf1. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full . _Citation.Journal_volume 129 _Citation.Journal_issue 8 _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 2338 _Citation.Page_last 2344 _Citation.Year 2007 _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 Amir Goldbourt . . . 15138 1 2 Benjamin Gross . J. . 15138 1 3 Loren Day . A. . 15138 1 4 Ann McDermott . E. . 15138 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Filamentous bacteriophage' 15138 1 'Magic-Angle Spinning' 15138 1 NMR 15138 1 Pf1 15138 1 'Resonance Assignment' 15138 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15138 _Assembly.ID 1 _Assembly.Name 'Pf1 Filamentous phage' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 'Coat protein' 1 $Pf1_phage_coat_protein A . yes native no no . . . 15138 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1IFN . . 'Fiber Diffraction' . . 'Aligned fibres' 15138 1 yes PDB 1PJF . . 'solid-state NMR' . . 'Aligned concentrated solution' 15138 1 yes PDB 1QL1 . . 'Fiber Diffraction' 3.1 . 'Aligned fibres' 15138 1 yes PDB 1QL2 . . 'Fiber Diffraction' 3.1 . 'Aligned fibres' 15138 1 yes PDB 2IFN . . 'Fiber Diffraction' . . 'Aligned fibres' 15138 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Pf1_phage_coat_protein _Entity.Sf_category entity _Entity.Sf_framecode Pf1_phage_coat_protein _Entity.Entry_ID 15138 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Pf1_phage_coat_protein _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GVIDTSAVESAITDGQGDMK AIGGYIVGALVILAVAGLIY SMLRKA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'This is the major coat protein of Pf1 filamentous bacteriophage. Also referred to as gene-8 protein product, g8p.' _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 46 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Coat Protein' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 "NCBI Taxonomy ID" 10871 . "Phage Pf1" . . . . . . 1 . . . . . . . 15138 1 2 yes SWS P03621 . "Coat protein B [Precursor]" . . . . . . 1 . . . . . . . 15138 1 3 yes ATCC 25102-B1 . Pf . . . . . . 1 . . . . . . . 15138 1 4 yes GB x52107 . "Pseudomonas phage Pf1" . . . . . . 1 . . . . . . . 15138 1 5 no PDB 1IFM . "Two Forms Of Pf1 Inovirus: X-Ray Diffraction Studies On A Structural Phase Transition And A Calculated Libration Normal Mode Of" . . . . . 100.00 46 100.00 100.00 1.52e-20 . . . . 15138 1 6 no PDB 1IFN . "Two Forms Of Pf1 Inovirus: X-Ray Diffraction Studies On A Structural Phase Transition And A Calculated Libration Normal Mode Of" . . . . . 100.00 46 100.00 100.00 1.52e-20 . . . . 15138 1 7 no PDB 1PFI . "Pf1 Virus Structure: Helical Coat Protein And Dna With Paraxial Phosphates" . . . . . 100.00 46 100.00 100.00 1.52e-20 . . . . 15138 1 8 no PDB 1PJF . "Solid State Nmr Structure Of The Pf1 Major Coat Protein In Magnetically Aligned Bacteriophage" . . . . . 100.00 46 100.00 100.00 1.52e-20 . . . . 15138 1 9 no PDB 1QL1 . "Inovirus (Filamentous Bacteriophage) Strain Pf1 Major Coat Protein Assembly" . . . . . 100.00 46 100.00 100.00 1.52e-20 . . . . 15138 1 10 no PDB 1QL2 . "Inovirus (Filamentous Bacteriophage) Strain Pf1 Major Coat Protein Assembly" . . . . . 100.00 46 100.00 100.00 1.52e-20 . . . . 15138 1 11 no PDB 1ZN5 . "Solid State Nmr Structure Of The Low-Temperature Form Of The Pf1 Major Coat Protein In Magnetically Aligned Bacteriophage" . . . . . 100.00 46 100.00 100.00 1.52e-20 . . . . 15138 1 12 no PDB 2IFM . "Pf1 Filamentous Bacteriophage: Refinement Of A Molecular Model By Simulated Annealing Using 3.3 Angstroms Resolution X-Ray Fibr" . . . . . 100.00 46 100.00 100.00 1.52e-20 . . . . 15138 1 13 no PDB 2IFN . "Pf1 Filamentous Bacteriophage: Refinement Of A Molecular Model By Simulated Annealing Using 3.3 Angstroms Resolution X-Ray Fibr" . . . . . 100.00 46 100.00 100.00 1.52e-20 . . . . 15138 1 14 no PDB 2KLV . "Membrane-Bound Structure Of The Pf1 Major Coat Protein In Dhpc Micelle" . . . . . 100.00 46 100.00 100.00 1.52e-20 . . . . 15138 1 15 no PDB 2KSJ . "Structure And Dynamics Of The Membrane-Bound Form Of Pf1 Coat Protein: Implications For Structural Rearrangement During Virus A" . . . . . 100.00 46 100.00 100.00 1.52e-20 . . . . 15138 1 16 no PDB 2XKM . "Consensus Structure Of Pf1 Filamentous Bacteriophage From X- Ray Fibre Diffraction And Solid-State Nmr" . . . . . 100.00 46 100.00 100.00 1.52e-20 . . . . 15138 1 17 no PDB 3IFM . "Pf1 Filamentous Bacteriophage: Refinement Of A Molecular Model By Simulated Annealing Using 3.3 Angstroms Resolution X-Ray Fibr" . . . . . 100.00 46 100.00 100.00 1.52e-20 . . . . 15138 1 18 no PDB 4IFM . "Pf1 Filamentous Bacteriophage: Refinement Of A Molecular Model By Simulated Annealing Using 3.3 Angstroms Resolution X-Ray Fibr" . . . . . 100.00 46 100.00 100.00 1.52e-20 . . . . 15138 1 19 no DBJ BAQ41860 . "capsid protein g8p [Pseudomonas aeruginosa]" . . . . . 100.00 82 100.00 100.00 5.16e-21 . . . . 15138 1 20 no EMBL CAA36331 . "major coat protein [Pseudomonas phage Pf1]" . . . . . 100.00 82 100.00 100.00 4.79e-21 . . . . 15138 1 21 no EMBL CCQ85809 . "hypothetical protein PA18A_2405 [Pseudomonas aeruginosa 18A]" . . . . . 100.00 82 100.00 100.00 4.79e-21 . . . . 15138 1 22 no EMBL CDH73426 . "putative secreted protein [Pseudomonas aeruginosa MH38]" . . . . . 100.00 82 100.00 100.00 5.22e-21 . . . . 15138 1 23 no EMBL CDO83853 . "coat protein B of bacteriophage Pf1) [Pseudomonas aeruginosa]" . . . . . 100.00 82 100.00 100.00 4.79e-21 . . . . 15138 1 24 no EMBL CFU90266 . "putative secreted protein [Pseudomonas aeruginosa]" . . . . . 100.00 82 100.00 100.00 4.79e-21 . . . . 15138 1 25 no GB AAG04112 . "coat protein B of bacteriophage Pf1 [Pseudomonas aeruginosa PAO1]" . . . . . 100.00 82 100.00 100.00 4.79e-21 . . . . 15138 1 26 no GB AAT50608 . "PA0723, partial [synthetic construct]" . . . . . 100.00 83 100.00 100.00 5.70e-21 . . . . 15138 1 27 no GB ACS36651 . "phage coat protein B [Pseudomonas aeruginosa PAO1]" . . . . . 100.00 82 100.00 100.00 4.79e-21 . . . . 15138 1 28 no GB AGV62109 . "capsid protein G8P [Pseudomonas aeruginosa PAO581]" . . . . . 100.00 82 100.00 100.00 4.79e-21 . . . . 15138 1 29 no GB AGV64452 . "capsid protein G8P [Pseudomonas aeruginosa c7447m]" . . . . . 100.00 82 100.00 100.00 4.79e-21 . . . . 15138 1 30 no PRF 754922A . protein,coat . . . . . 100.00 46 97.83 100.00 4.43e-20 . . . . 15138 1 31 no REF NP_039603 . "major coat protein [Pseudomonas phage Pf1]" . . . . . 100.00 82 100.00 100.00 4.79e-21 . . . . 15138 1 32 no REF NP_249414 . "phage coat protein B [Pseudomonas aeruginosa PAO1]" . . . . . 100.00 82 100.00 100.00 4.79e-21 . . . . 15138 1 33 no REF NP_955532 . "major coat protein [Pseudomonas phage Pf1]" . . . . . 100.00 46 100.00 100.00 1.52e-20 . . . . 15138 1 34 no REF WP_003125072 . "MULTISPECIES: phage coat protein B [Pseudomonas]" . . . . . 100.00 82 100.00 100.00 4.79e-21 . . . . 15138 1 35 no REF WP_023090795 . "phage capsid protein [Pseudomonas aeruginosa]" . . . . . 100.00 82 97.83 97.83 8.58e-20 . . . . 15138 1 36 no SP P03621 . "RecName: Full=Capsid protein G8P; AltName: Full=Coat protein B; AltName: Full=Gene 8 protein; Short=G8P; AltName: Full=Major co" . . . . . 100.00 82 100.00 100.00 4.79e-21 . . . . 15138 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 . GLY . 15138 1 2 . VAL . 15138 1 3 . ILE . 15138 1 4 . ASP . 15138 1 5 . THR . 15138 1 6 . SER . 15138 1 7 . ALA . 15138 1 8 . VAL . 15138 1 9 . GLU . 15138 1 10 . SER . 15138 1 11 . ALA . 15138 1 12 . ILE . 15138 1 13 . THR . 15138 1 14 . ASP . 15138 1 15 . GLY . 15138 1 16 . GLN . 15138 1 17 . GLY . 15138 1 18 . ASP . 15138 1 19 . MET . 15138 1 20 . LYS . 15138 1 21 . ALA . 15138 1 22 . ILE . 15138 1 23 . GLY . 15138 1 24 . GLY . 15138 1 25 . TYR . 15138 1 26 . ILE . 15138 1 27 . VAL . 15138 1 28 . GLY . 15138 1 29 . ALA . 15138 1 30 . LEU . 15138 1 31 . VAL . 15138 1 32 . ILE . 15138 1 33 . LEU . 15138 1 34 . ALA . 15138 1 35 . VAL . 15138 1 36 . ALA . 15138 1 37 . GLY . 15138 1 38 . LEU . 15138 1 39 . ILE . 15138 1 40 . TYR . 15138 1 41 . SER . 15138 1 42 . MET . 15138 1 43 . LEU . 15138 1 44 . ARG . 15138 1 45 . LYS . 15138 1 46 . ALA . 15138 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 . GLY 1 1 15138 1 . VAL 2 2 15138 1 . ILE 3 3 15138 1 . ASP 4 4 15138 1 . THR 5 5 15138 1 . SER 6 6 15138 1 . ALA 7 7 15138 1 . VAL 8 8 15138 1 . GLU 9 9 15138 1 . SER 10 10 15138 1 . ALA 11 11 15138 1 . ILE 12 12 15138 1 . THR 13 13 15138 1 . ASP 14 14 15138 1 . GLY 15 15 15138 1 . GLN 16 16 15138 1 . GLY 17 17 15138 1 . ASP 18 18 15138 1 . MET 19 19 15138 1 . LYS 20 20 15138 1 . ALA 21 21 15138 1 . ILE 22 22 15138 1 . GLY 23 23 15138 1 . GLY 24 24 15138 1 . TYR 25 25 15138 1 . ILE 26 26 15138 1 . VAL 27 27 15138 1 . GLY 28 28 15138 1 . ALA 29 29 15138 1 . LEU 30 30 15138 1 . VAL 31 31 15138 1 . ILE 32 32 15138 1 . LEU 33 33 15138 1 . ALA 34 34 15138 1 . VAL 35 35 15138 1 . ALA 36 36 15138 1 . GLY 37 37 15138 1 . LEU 38 38 15138 1 . ILE 39 39 15138 1 . TYR 40 40 15138 1 . SER 41 41 15138 1 . MET 42 42 15138 1 . LEU 43 43 15138 1 . ARG 44 44 15138 1 . LYS 45 45 15138 1 . ALA 46 46 15138 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 15138 _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 $Pf1_phage_coat_protein . . virus . 'Bacteriophage Pf1' . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15138 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 15138 _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 $Pf1_phage_coat_protein . 'Purified from host after deliberate infection' 'Pseudomonas aeruginosa' . . . . . K . . . . . . . . . . . . . . . . . . . 'K strain' . . 15138 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Pf1_U _Sample.Sf_category sample _Sample.Sf_framecode Pf1_U _Sample.Entry_ID 15138 _Sample.ID 1 _Sample.Type solid _Sample.Sub_type . _Sample.Details ; Precipitated, hydrated. The sample weight is 7-10 mg. ; _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Pf1 phage' '[U-13C; U-15N]' . . 1 $Pf1_phage_coat_protein . . . 7 10 mg . . . . 15138 1 stop_ save_ save_Pf1_NCO _Sample.Sf_category sample _Sample.Sf_framecode Pf1_NCO _Sample.Entry_ID 15138 _Sample.ID 2 _Sample.Type solid _Sample.Sub_type . _Sample.Details ; Precipitated, hydrated. The sample weight is 7-10 mg. The sample is prepared with glucose labeled only on carbon-1 position, and it results in labeling of most but not all carbonyls. ; _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Pf1 phage' '[U-15N; 13C C1-Glucose]' . . 1 $Pf1_phage_coat_protein . . . 7 10 mg . . . . 15138 2 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 15138 _Sample_condition_list.ID 1 _Sample_condition_list.Details . 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 pH 8.4 . pH 15138 1 temperature 297.5 12.5 K 15138 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15138 _Software.ID 1 _Software.Name SPARKY _Software.Version 3.110 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . http://www.cgl.ucsf.edu/home/sparky/ 15138 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15138 1 'peak picking' 15138 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15138 _Software.ID 2 _Software.Name NMRPipe _Software.Version '2.3 Rev 2004.184.22.03' _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . http://spin.niddk.nih.gov/NMRPipe/ 15138 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15138 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15138 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Magic-angle spinning 4mm Wide-Bore probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15138 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'Magic-angle spinning 4mm Wide-Bore probe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model InfinityPlus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 15138 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details 'Magic-angle spinning 4mm Wide-Bore probe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model InfinityPlus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 400 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 15138 _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 spectrometer_1 Bruker DRX . 750 'Magic-angle spinning 4mm Wide-Bore probe' . . 15138 1 2 spectrometer_2 Varian InfinityPlus . 600 'Magic-angle spinning 4mm Wide-Bore probe' . . 15138 1 3 spectrometer_3 Varian InfinityPlus . 400 'Magic-angle spinning 4mm Wide-Bore probe' . . 15138 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 15138 _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 '3D NCACX' no . . . . . . . . . . 1 $Pf1_U 'Precipitated solid' . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15138 1 2 '3D NCOCX' no . . . . . . . . . . 1 $Pf1_U 'Precipitated solid' . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15138 1 3 '2D CC DARR' no . . . . . . . . . . 1 $Pf1_U 'Precipitated solid' . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15138 1 4 '3D NCOCX' no . . . . . . . . . . 2 $Pf1_NCO 'Precipitated solid' . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15138 1 5 '2D NN PDSD' no . . . . . . . . . . 2 $Pf1_NCO 'Precipitated solid' . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15138 1 6 '3D NCACX' no . . . . . . . . . . 1 $Pf1_U 'Precipitated solid' . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15138 1 7 '3D NCOCX' no . . . . . . . . . . 1 $Pf1_U 'Precipitated solid' . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15138 1 8 '2D CC DARR' no . . . . . . . . . . 1 $Pf1_U 'Precipitated solid' . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15138 1 9 '2D CC DARR' no . . . . . . . . . . 1 $Pf1_U 'Precipitated solid' . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15138 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 15138 _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 C 13 Adamantane 'methylene carbon' . . . . ppm 40.48 external direct 1 'insert at center of experimental sample tube' cylindrical . . . . . . . 15138 1 N 15 NH4Cl nitrogen . . . . ppm 39.27 external direct 1 'insert at center of experimental sample tube' cylindrical . . . . . . . 15138 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_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15138 _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 0.15 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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 'Standard deviations in SPARKY assignment table.' _Assigned_chem_shift_list.Details 'Specific errors in table.' _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 '3D NCACX' . . . 15138 1 2 '3D NCOCX' . . . 15138 1 3 '2D CC DARR' . . . 15138 1 4 '3D NCOCX' . . . 15138 1 5 '2D NN PDSD' . . . 15138 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $SPARKY . . 15138 1 2 $NMRPipe . . 15138 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 GLY C C 13 171.2 0.22 . 1 . . . . 1 G C . 15138 1 2 . 1 1 1 1 GLY CA C 13 44.3 0.08 . 1 . . . . 1 G CA . 15138 1 3 . 1 1 2 2 VAL C C 13 175.4 0.15 . 1 . . . . 2 V C . 15138 1 4 . 1 1 2 2 VAL CA C 13 65.3 0.08 . 1 . . . . 2 V CA . 15138 1 5 . 1 1 2 2 VAL CB C 13 32.9 0.05 . 1 . . . . 2 V CB . 15138 1 6 . 1 1 2 2 VAL CG1 C 13 22.6 0.16 . 2 . . . . 2 V CG1 . 15138 1 7 . 1 1 2 2 VAL CG2 C 13 22.0 0.04 . 2 . . . . 2 V CG2 . 15138 1 8 . 1 1 2 2 VAL N N 15 124.7 0.33 . 1 . . . . 2 V N . 15138 1 9 . 1 1 3 3 ILE C C 13 174.8 0.12 . 1 . . . . 3 I C . 15138 1 10 . 1 1 3 3 ILE CA C 13 57.7 0.10 . 1 . . . . 3 I CA . 15138 1 11 . 1 1 3 3 ILE CB C 13 40.5 0.13 . 1 . . . . 3 I CB . 15138 1 12 . 1 1 3 3 ILE CG1 C 13 27.2 0.00 . 1 . . . . 3 I CG1 . 15138 1 13 . 1 1 3 3 ILE CG2 C 13 17.7 0.05 . 1 . . . . 3 I CG2 . 15138 1 14 . 1 1 3 3 ILE CD1 C 13 14.6 0.00 . 1 . . . . 3 I CD . 15138 1 15 . 1 1 3 3 ILE N N 15 113.6 0.13 . 1 . . . . 3 I N . 15138 1 16 . 1 1 4 4 ASP C C 13 177.1 0.09 . 1 . . . . 4 D C . 15138 1 17 . 1 1 4 4 ASP CA C 13 54.6 0.16 . 1 . . . . 4 D CA . 15138 1 18 . 1 1 4 4 ASP CB C 13 41.1 0.07 . 1 . . . . 4 D CB . 15138 1 19 . 1 1 4 4 ASP N N 15 124.0 0.26 . 1 . . . . 4 D N . 15138 1 20 . 1 1 5 5 THR C C 13 177.0 0.12 . 1 . . . . 5 T C . 15138 1 21 . 1 1 5 5 THR CA C 13 62.3 0.17 . 1 . . . . 5 T CA . 15138 1 22 . 1 1 5 5 THR CB C 13 69.0 0.10 . 1 . . . . 5 T CB . 15138 1 23 . 1 1 5 5 THR CG2 C 13 22.8 0.05 . 1 . . . . 5 T CG . 15138 1 24 . 1 1 5 5 THR N N 15 115.9 0.27 . 1 . . . . 5 T N . 15138 1 25 . 1 1 6 6 SER C C 13 176.8 0.03 . 1 . . . . 6 S C . 15138 1 26 . 1 1 6 6 SER CA C 13 62.5 0.11 . 1 . . . . 6 S CA . 15138 1 27 . 1 1 6 6 SER N N 15 122.2 0.20 . 1 . . . . 6 S N . 15138 1 28 . 1 1 7 7 ALA C C 13 180.5 0.14 . 1 . . . . 7 A C . 15138 1 29 . 1 1 7 7 ALA CA C 13 54.4 0.07 . 1 . . . . 7 A CA . 15138 1 30 . 1 1 7 7 ALA CB C 13 18.8 0.06 . 1 . . . . 7 A CB . 15138 1 31 . 1 1 7 7 ALA N N 15 124.6 0.23 . 1 . . . . 7 A N . 15138 1 32 . 1 1 8 8 VAL C C 13 176.6 0.09 . 1 . . . . 8 V C . 15138 1 33 . 1 1 8 8 VAL CA C 13 65.8 0.06 . 1 . . . . 8 V CA . 15138 1 34 . 1 1 8 8 VAL CB C 13 31.5 0.07 . 1 . . . . 8 V CB . 15138 1 35 . 1 1 8 8 VAL CG1 C 13 23.1 0.04 . 2 . . . . 8 V CG1 . 15138 1 36 . 1 1 8 8 VAL CG2 C 13 22.5 0.05 . 2 . . . . 8 V CG2 . 15138 1 37 . 1 1 8 8 VAL N N 15 117.8 0.18 . 1 . . . . 8 V N . 15138 1 38 . 1 1 9 9 GLU C C 13 179.3 0.08 . 1 . . . . 9 E C . 15138 1 39 . 1 1 9 9 GLU CA C 13 60.1 0.06 . 1 . . . . 9 E CA . 15138 1 40 . 1 1 9 9 GLU CB C 13 29.3 0.07 . 1 . . . . 9 E CB . 15138 1 41 . 1 1 9 9 GLU CG C 13 36.0 0.05 . 1 . . . . 9 E CG . 15138 1 42 . 1 1 9 9 GLU CD C 13 182.9 0.13 . 1 . . . . 9 E CD . 15138 1 43 . 1 1 9 9 GLU N N 15 120.2 0.18 . 1 . . . . 9 E N . 15138 1 44 . 1 1 10 10 SER C C 13 176.4 0.08 . 1 . . . . 10 S C . 15138 1 45 . 1 1 10 10 SER CA C 13 61.6 0.07 . 1 . . . . 10 S CA . 15138 1 46 . 1 1 10 10 SER CB C 13 62.8 0.05 . 1 . . . . 10 S CB . 15138 1 47 . 1 1 10 10 SER N N 15 113.7 0.17 . 1 . . . . 10 S N . 15138 1 48 . 1 1 11 11 ALA C C 13 180.4 0.12 . 1 . . . . 11 A C . 15138 1 49 . 1 1 11 11 ALA CA C 13 55.1 0.08 . 1 . . . . 11 A CA . 15138 1 50 . 1 1 11 11 ALA CB C 13 19.6 0.04 . 1 . . . . 11 A CB . 15138 1 51 . 1 1 11 11 ALA N N 15 123.3 0.23 . 1 . . . . 11 A N . 15138 1 52 . 1 1 12 12 ILE C C 13 178.2 0.09 . 1 . . . . 12 I C . 15138 1 53 . 1 1 12 12 ILE CA C 13 64.7 0.11 . 1 . . . . 12 I CA . 15138 1 54 . 1 1 12 12 ILE CB C 13 36.4 0.09 . 1 . . . . 12 I CB . 15138 1 55 . 1 1 12 12 ILE CG1 C 13 29.8 0.09 . 1 . . . . 12 I CG1 . 15138 1 56 . 1 1 12 12 ILE CG2 C 13 18.0 0.09 . 1 . . . . 12 I CG2 . 15138 1 57 . 1 1 12 12 ILE CD1 C 13 13.2 0.09 . 1 . . . . 12 I CD . 15138 1 58 . 1 1 12 12 ILE N N 15 117.8 0.19 . 1 . . . . 12 I N . 15138 1 59 . 1 1 13 13 THR C C 13 177.5 0.13 . 1 . . . . 13 T C . 15138 1 60 . 1 1 13 13 THR CA C 13 67.4 0.07 . 1 . . . . 13 T CA . 15138 1 61 . 1 1 13 13 THR CB C 13 68.4 0.06 . 1 . . . . 13 T CB . 15138 1 62 . 1 1 13 13 THR CG2 C 13 21.9 0.04 . 1 . . . . 13 T CG . 15138 1 63 . 1 1 13 13 THR N N 15 118.6 0.25 . 1 . . . . 13 T N . 15138 1 64 . 1 1 14 14 ASP C C 13 179.5 0.19 . 1 . . . . 14 D C . 15138 1 65 . 1 1 14 14 ASP CA C 13 57.7 0.11 . 1 . . . . 14 D CA . 15138 1 66 . 1 1 14 14 ASP CB C 13 40.9 0.09 . 1 . . . . 14 D CB . 15138 1 67 . 1 1 14 14 ASP CG C 13 177.3 0.02 . 1 . . . . 14 D CG . 15138 1 68 . 1 1 14 14 ASP N N 15 123.9 0.27 . 1 . . . . 14 D N . 15138 1 69 . 1 1 15 15 GLY C C 13 175.8 0.07 . 1 . . . . 15 G C . 15138 1 70 . 1 1 15 15 GLY CA C 13 47.6 0.12 . 1 . . . . 15 G CA . 15138 1 71 . 1 1 15 15 GLY N N 15 109.1 0.26 . 1 . . . . 15 G N . 15138 1 72 . 1 1 16 16 GLN C C 13 179.0 0.09 . 1 . . . . 16 Q C . 15138 1 73 . 1 1 16 16 GLN CA C 13 59.3 0.09 . 1 . . . . 16 Q CA . 15138 1 74 . 1 1 16 16 GLN CB C 13 28.5 0.05 . 1 . . . . 16 Q CB . 15138 1 75 . 1 1 16 16 GLN CG C 13 34.7 0.08 . 1 . . . . 16 Q CG . 15138 1 76 . 1 1 16 16 GLN CD C 13 177.9 0.08 . 1 . . . . 16 Q CD . 15138 1 77 . 1 1 16 16 GLN N N 15 121.6 0.25 . 1 . . . . 16 Q N . 15138 1 78 . 1 1 16 16 GLN NE2 N 15 107.7 0.24 . 1 . . . . 16 Q NE . 15138 1 79 . 1 1 17 17 GLY C C 13 176.9 0.05 . 1 . . . . 17 G C . 15138 1 80 . 1 1 17 17 GLY CA C 13 47.6 0.05 . 1 . . . . 17 G CA . 15138 1 81 . 1 1 17 17 GLY N N 15 107.4 0.16 . 1 . . . . 17 G N . 15138 1 82 . 1 1 18 18 ASP C C 13 178.8 0.15 . 1 . . . . 18 D C . 15138 1 83 . 1 1 18 18 ASP CA C 13 58.0 0.07 . 1 . . . . 18 D CA . 15138 1 84 . 1 1 18 18 ASP CB C 13 40.9 0.07 . 1 . . . . 18 D CB . 15138 1 85 . 1 1 18 18 ASP CG C 13 177.6 0.00 . 1 . . . . 18 D CG . 15138 1 86 . 1 1 18 18 ASP N N 15 124.3 0.13 . 1 . . . . 18 D N . 15138 1 87 . 1 1 19 19 MET C C 13 178.3 0.08 . 1 . . . . 19 M C . 15138 1 88 . 1 1 19 19 MET CA C 13 60.6 0.05 . 1 . . . . 19 M CA . 15138 1 89 . 1 1 19 19 MET CB C 13 35.3 0.05 . 1 . . . . 19 M CB . 15138 1 90 . 1 1 19 19 MET CG C 13 32.9 0.06 . 1 . . . . 19 M CG . 15138 1 91 . 1 1 19 19 MET CE C 13 18.0 0.03 . 1 . . . . 19 M CE . 15138 1 92 . 1 1 19 19 MET N N 15 118.5 0.23 . 1 . . . . 19 M N . 15138 1 93 . 1 1 20 20 LYS C C 13 180.0 0.09 . 1 . . . . 20 K C . 15138 1 94 . 1 1 20 20 LYS CA C 13 60.6 0.05 . 1 . . . . 20 K CA . 15138 1 95 . 1 1 20 20 LYS CB C 13 32.8 0.05 . 1 . . . . 20 K CB . 15138 1 96 . 1 1 20 20 LYS CG C 13 26.6 0.04 . 1 . . . . 20 K CG . 15138 1 97 . 1 1 20 20 LYS CD C 13 30.1 0.05 . 1 . . . . 20 K CD . 15138 1 98 . 1 1 20 20 LYS CE C 13 42.3 0.06 . 1 . . . . 20 K CE . 15138 1 99 . 1 1 20 20 LYS N N 15 118.4 0.14 . 1 . . . . 20 K N . 15138 1 100 . 1 1 20 20 LYS NZ N 15 33.5 0.15 . 1 . . . . 20 K NZ . 15138 1 101 . 1 1 21 21 ALA C C 13 179.5 0.11 . 1 . . . . 21 A C . 15138 1 102 . 1 1 21 21 ALA CA C 13 55.0 0.08 . 1 . . . . 21 A CA . 15138 1 103 . 1 1 21 21 ALA CB C 13 17.9 0.05 . 1 . . . . 21 A CB . 15138 1 104 . 1 1 21 21 ALA N N 15 123.5 0.17 . 1 . . . . 21 A N . 15138 1 105 . 1 1 22 22 ILE C C 13 178.0 0.11 . 1 . . . . 22 I C . 15138 1 106 . 1 1 22 22 ILE CA C 13 65.4 0.14 . 1 . . . . 22 I CA . 15138 1 107 . 1 1 22 22 ILE CB C 13 37.9 0.06 . 1 . . . . 22 I CB . 15138 1 108 . 1 1 22 22 ILE CG1 C 13 30.0 0.05 . 1 . . . . 22 I CG1 . 15138 1 109 . 1 1 22 22 ILE CG2 C 13 17.8 0.05 . 1 . . . . 22 I CG2 . 15138 1 110 . 1 1 22 22 ILE CD1 C 13 14.6 0.05 . 1 . . . . 22 I CD . 15138 1 111 . 1 1 22 22 ILE N N 15 117.2 0.22 . 1 . . . . 22 I N . 15138 1 112 . 1 1 23 23 GLY C C 13 175.7 0.08 . 1 . . . . 23 G C . 15138 1 113 . 1 1 23 23 GLY CA C 13 47.3 0.11 . 1 . . . . 23 G CA . 15138 1 114 . 1 1 23 23 GLY N N 15 106.6 0.21 . 1 . . . . 23 G N . 15138 1 115 . 1 1 24 24 GLY C C 13 176.9 0.03 . 1 . . . . 24 G C . 15138 1 116 . 1 1 24 24 GLY CA C 13 47.4 0.05 . 1 . . . . 24 G CA . 15138 1 117 . 1 1 24 24 GLY N N 15 108.2 0.13 . 1 . . . . 24 G N . 15138 1 118 . 1 1 25 25 TYR C C 13 179.6 0.12 . 1 . . . . 25 Y C . 15138 1 119 . 1 1 25 25 TYR CA C 13 58.9 0.13 . 1 . . . . 25 Y CA . 15138 1 120 . 1 1 25 25 TYR CB C 13 37.6 0.07 . 1 . . . . 25 Y CB . 15138 1 121 . 1 1 25 25 TYR CG C 13 129.3 0.09 . 1 . . . . 25 Y CG . 15138 1 122 . 1 1 25 25 TYR CD1 C 13 132.2 0.07 . 3 . . . . 25 Y CD1 . 15138 1 123 . 1 1 25 25 TYR CE1 C 13 118.8 0.08 . 3 . . . . 25 Y CE1 . 15138 1 124 . 1 1 25 25 TYR CZ C 13 157.9 0.06 . 1 . . . . 25 Y CZ . 15138 1 125 . 1 1 25 25 TYR N N 15 122.3 0.12 . 1 . . . . 25 Y N . 15138 1 126 . 1 1 26 26 ILE C C 13 179.3 0.11 . 1 . . . . 26 I C . 15138 1 127 . 1 1 26 26 ILE CA C 13 64.3 0.13 . 1 . . . . 26 I CA . 15138 1 128 . 1 1 26 26 ILE CB C 13 36.5 0.09 . 1 . . . . 26 I CB . 15138 1 129 . 1 1 26 26 ILE CG1 C 13 28.6 0.07 . 1 . . . . 26 I CG1 . 15138 1 130 . 1 1 26 26 ILE CG2 C 13 17.9 0.09 . 1 . . . . 26 I CG2 . 15138 1 131 . 1 1 26 26 ILE CD1 C 13 11.8 0.10 . 1 . . . . 26 I CD . 15138 1 132 . 1 1 26 26 ILE N N 15 119.5 0.17 . 1 . . . . 26 I N . 15138 1 133 . 1 1 27 27 VAL C C 13 177.3 0.15 . 1 . . . . 27 V C . 15138 1 134 . 1 1 27 27 VAL CA C 13 67.3 0.12 . 1 . . . . 27 V CA . 15138 1 135 . 1 1 27 27 VAL CB C 13 31.3 0.08 . 1 . . . . 27 V CB . 15138 1 136 . 1 1 27 27 VAL CG1 C 13 22.0 0.06 . 2 . . . . 27 V CG1 . 15138 1 137 . 1 1 27 27 VAL CG2 C 13 24.5 0.36 . 2 . . . . 27 V CG2 . 15138 1 138 . 1 1 27 27 VAL N N 15 119.5 0.21 . 1 . . . . 27 V N . 15138 1 139 . 1 1 28 28 GLY C C 13 177.0 0.00 . 1 . . . . 28 G C . 15138 1 140 . 1 1 28 28 GLY CA C 13 47.4 0.12 . 1 . . . . 28 G CA . 15138 1 141 . 1 1 28 28 GLY N N 15 105.9 0.18 . 1 . . . . 28 G N . 15138 1 142 . 1 1 29 29 ALA C C 13 179.2 0.08 . 1 . . . . 29 A C . 15138 1 143 . 1 1 29 29 ALA CA C 13 54.3 0.13 . 1 . . . . 29 A CA . 15138 1 144 . 1 1 29 29 ALA CB C 13 19.4 0.29 . 1 . . . . 29 A CB . 15138 1 145 . 1 1 29 29 ALA N N 15 122.3 0.14 . 1 . . . . 29 A N . 15138 1 146 . 1 1 30 30 LEU C C 13 179.9 0.08 . 1 . . . . 30 L C . 15138 1 147 . 1 1 30 30 LEU CA C 13 57.9 0.07 . 1 . . . . 30 L CA . 15138 1 148 . 1 1 30 30 LEU CB C 13 43.4 0.06 . 1 . . . . 30 L CB . 15138 1 149 . 1 1 30 30 LEU CG C 13 27.6 0.14 . 1 . . . . 30 L CG . 15138 1 150 . 1 1 30 30 LEU CD1 C 13 24.7 0.02 . 1 . . . . 30 L CD1 . 15138 1 151 . 1 1 30 30 LEU N N 15 119.4 0.08 . 1 . . . . 30 L N . 15138 1 152 . 1 1 31 31 VAL C C 13 176.7 1.39 . 1 . . . . 31 V C . 15138 1 153 . 1 1 31 31 VAL CA C 13 65.2 0.05 . 1 . . . . 31 V CA . 15138 1 154 . 1 1 31 31 VAL CB C 13 32.8 0.00 . 1 . . . . 31 V CB . 15138 1 155 . 1 1 31 31 VAL N N 15 117.5 0.00 . 1 . . . . 31 V N . 15138 1 156 . 1 1 32 32 ILE C C 13 177.2 0.13 . 1 . . . . 32 I C . 15138 1 157 . 1 1 32 32 ILE CA C 13 65.4 0.07 . 1 . . . . 32 I CA . 15138 1 158 . 1 1 32 32 ILE CB C 13 36.9 0.06 . 1 . . . . 32 I CB . 15138 1 159 . 1 1 32 32 ILE CG1 C 13 29.1 0.05 . 1 . . . . 32 I CG1 . 15138 1 160 . 1 1 32 32 ILE CG2 C 13 17.1 0.06 . 1 . . . . 32 I CG2 . 15138 1 161 . 1 1 32 32 ILE CD1 C 13 14.1 0.08 . 1 . . . . 32 I CD . 15138 1 162 . 1 1 32 32 ILE N N 15 121.9 0.24 . 1 . . . . 32 I N . 15138 1 163 . 1 1 33 33 LEU C C 13 178.4 0.12 . 1 . . . . 33 L C . 15138 1 164 . 1 1 33 33 LEU CA C 13 58.5 0.07 . 1 . . . . 33 L CA . 15138 1 165 . 1 1 33 33 LEU CB C 13 42.7 0.10 . 1 . . . . 33 L CB . 15138 1 166 . 1 1 33 33 LEU CG C 13 27.6 0.07 . 1 . . . . 33 L CG . 15138 1 167 . 1 1 33 33 LEU CD1 C 13 24.7 0.06 . 1 . . . . 33 L CD1 . 15138 1 168 . 1 1 33 33 LEU N N 15 119.3 0.15 . 1 . . . . 33 L N . 15138 1 169 . 1 1 34 34 ALA C C 13 180.5 0.11 . 1 . . . . 34 A C . 15138 1 170 . 1 1 34 34 ALA CA C 13 54.6 0.06 . 1 . . . . 34 A CA . 15138 1 171 . 1 1 34 34 ALA CB C 13 18.3 0.05 . 1 . . . . 34 A CB . 15138 1 172 . 1 1 34 34 ALA N N 15 120.9 0.15 . 1 . . . . 34 A N . 15138 1 173 . 1 1 35 35 VAL C C 13 177.5 0.15 . 1 . . . . 35 V C . 15138 1 174 . 1 1 35 35 VAL CA C 13 66.7 0.07 . 1 . . . . 35 V CA . 15138 1 175 . 1 1 35 35 VAL CB C 13 31.5 0.08 . 1 . . . . 35 V CB . 15138 1 176 . 1 1 35 35 VAL CG1 C 13 24.1 0.17 . 2 . . . . 35 V CG1 . 15138 1 177 . 1 1 35 35 VAL CG2 C 13 22.3 0.03 . 2 . . . . 35 V CG2 . 15138 1 178 . 1 1 35 35 VAL N N 15 117.3 0.18 . 1 . . . . 35 V N . 15138 1 179 . 1 1 36 36 ALA C C 13 177.7 0.09 . 1 . . . . 36 A C . 15138 1 180 . 1 1 36 36 ALA CA C 13 56.0 0.07 . 1 . . . . 36 A CA . 15138 1 181 . 1 1 36 36 ALA CB C 13 17.6 0.09 . 1 . . . . 36 A CB . 15138 1 182 . 1 1 36 36 ALA N N 15 122.0 0.14 . 1 . . . . 36 A N . 15138 1 183 . 1 1 37 37 GLY C C 13 177.3 0.10 . 1 . . . . 37 G C . 15138 1 184 . 1 1 37 37 GLY CA C 13 47.4 0.07 . 1 . . . . 37 G CA . 15138 1 185 . 1 1 37 37 GLY N N 15 99.6 0.26 . 1 . . . . 37 G N . 15138 1 186 . 1 1 38 38 LEU C C 13 179.1 0.04 . 1 . . . . 38 L C . 15138 1 187 . 1 1 38 38 LEU CA C 13 58.3 0.09 . 1 . . . . 38 L CA . 15138 1 188 . 1 1 38 38 LEU CB C 13 41.2 0.11 . 1 . . . . 38 L CB . 15138 1 189 . 1 1 38 38 LEU CG C 13 26.9 0.06 . 1 . . . . 38 L CG . 15138 1 190 . 1 1 38 38 LEU CD1 C 13 23.8 0.05 . 1 . . . . 38 L CD1 . 15138 1 191 . 1 1 38 38 LEU CD2 C 13 25.7 0.11 . 1 . . . . 38 L CD2 . 15138 1 192 . 1 1 38 38 LEU N N 15 123.9 0.12 . 1 . . . . 38 L N . 15138 1 193 . 1 1 39 39 ILE C C 13 178.6 0.09 . 1 . . . . 39 I C . 15138 1 194 . 1 1 39 39 ILE CA C 13 66.4 0.08 . 1 . . . . 39 I CA . 15138 1 195 . 1 1 39 39 ILE CB C 13 37.4 0.07 . 1 . . . . 39 I CB . 15138 1 196 . 1 1 39 39 ILE CG1 C 13 30.7 0.10 . 1 . . . . 39 I CG1 . 15138 1 197 . 1 1 39 39 ILE CG2 C 13 18.0 0.09 . 1 . . . . 39 I CG2 . 15138 1 198 . 1 1 39 39 ILE CD1 C 13 14.5 0.13 . 1 . . . . 39 I CD . 15138 1 199 . 1 1 39 39 ILE N N 15 121.3 0.20 . 1 . . . . 39 I N . 15138 1 200 . 1 1 40 40 TYR C C 13 180.1 0.11 . 1 . . . . 40 Y C . 15138 1 201 . 1 1 40 40 TYR CA C 13 57.9 0.07 . 1 . . . . 40 Y CA . 15138 1 202 . 1 1 40 40 TYR CB C 13 36.2 0.09 . 1 . . . . 40 Y CB . 15138 1 203 . 1 1 40 40 TYR CG C 13 129.9 0.17 . 1 . . . . 40 Y CG . 15138 1 204 . 1 1 40 40 TYR N N 15 118.9 0.19 . 1 . . . . 40 Y N . 15138 1 205 . 1 1 41 41 SER C C 13 176.1 0.13 . 1 . . . . 41 S C . 15138 1 206 . 1 1 41 41 SER CA C 13 63.0 0.10 . 1 . . . . 41 S CA . 15138 1 207 . 1 1 41 41 SER CB C 13 63.6 0.00 . 1 . . . . 41 S CB . 15138 1 208 . 1 1 41 41 SER N N 15 114.0 0.12 . 1 . . . . 41 S N . 15138 1 209 . 1 1 42 42 MET CA C 13 57.9 0.07 . 1 . . . . 42 M CA . 15138 1 210 . 1 1 42 42 MET CB C 13 32.1 0.05 . 1 . . . . 42 M CB . 15138 1 211 . 1 1 42 42 MET N N 15 120.5 0.03 . 1 . . . . 42 M N . 15138 1 212 . 1 1 43 43 LEU C C 13 178.6 0.09 . 1 . . . . 43 L C . 15138 1 213 . 1 1 43 43 LEU CA C 13 57.3 0.07 . 1 . . . . 43 L CA . 15138 1 214 . 1 1 43 43 LEU CB C 13 42.8 0.06 . 1 . . . . 43 L CB . 15138 1 215 . 1 1 43 43 LEU CG C 13 28.1 0.07 . 1 . . . . 43 L CG . 15138 1 216 . 1 1 43 43 LEU CD1 C 13 24.8 0.05 . 1 . . . . 43 L CD1 . 15138 1 217 . 1 1 43 43 LEU N N 15 117.3 0.15 . 1 . . . . 43 L N . 15138 1 218 . 1 1 44 44 ARG C C 13 177.2 0.08 . 1 . . . . 44 R C . 15138 1 219 . 1 1 44 44 ARG CA C 13 58.8 0.11 . 1 . . . . 44 R CA . 15138 1 220 . 1 1 44 44 ARG CB C 13 31.3 0.08 . 1 . . . . 44 R CB . 15138 1 221 . 1 1 44 44 ARG CG C 13 29.3 0.07 . 1 . . . . 44 R CG . 15138 1 222 . 1 1 44 44 ARG CD C 13 43.7 0.06 . 1 . . . . 44 R CD . 15138 1 223 . 1 1 44 44 ARG CZ C 13 159.9 0.06 . 1 . . . . 44 R CZ . 15138 1 224 . 1 1 44 44 ARG N N 15 118.3 0.20 . 1 . . . . 44 R N . 15138 1 225 . 1 1 44 44 ARG NE N 15 85.1 0.17 . 1 . . . . 44 R NE . 15138 1 226 . 1 1 44 44 ARG NH1 N 15 72.6 0.00 . 2 . . . . 44 R NH1 . 15138 1 227 . 1 1 45 45 LYS C C 13 175.8 0.13 . 1 . . . . 45 K C . 15138 1 228 . 1 1 45 45 LYS CA C 13 57.0 0.13 . 1 . . . . 45 K CA . 15138 1 229 . 1 1 45 45 LYS CB C 13 33.8 0.12 . 1 . . . . 45 K CB . 15138 1 230 . 1 1 45 45 LYS CG C 13 25.6 0.08 . 1 . . . . 45 K CG . 15138 1 231 . 1 1 45 45 LYS CD C 13 29.4 0.06 . 1 . . . . 45 K CD . 15138 1 232 . 1 1 45 45 LYS CE C 13 43.7 0.02 . 1 . . . . 45 K CE . 15138 1 233 . 1 1 45 45 LYS N N 15 116.3 0.22 . 1 . . . . 45 K N . 15138 1 234 . 1 1 46 46 ALA C C 13 181.8 0.05 . 1 . . . . 46 A C . 15138 1 235 . 1 1 46 46 ALA CA C 13 55.4 0.06 . 1 . . . . 46 A CA . 15138 1 236 . 1 1 46 46 ALA CB C 13 19.6 0.07 . 1 . . . . 46 A CB . 15138 1 237 . 1 1 46 46 ALA N N 15 127.3 0.18 . 1 . . . . 46 A N . 15138 1 stop_ save_ save_Threonine5_type2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Threonine5_type2 _Assigned_chem_shift_list.Entry_ID 15138 _Assigned_chem_shift_list.ID 2 _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 'They are additional peaks observed for those residues.' _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 '3D NCACX' . . . 15138 2 2 '3D NCOCX' . . . 15138 2 3 '2D CC DARR' . . . 15138 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $SPARKY . . 15138 2 2 $NMRPipe . . 15138 2 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 5 5 THR CA C 13 63.3 0.14 . 1 . . . . 5 T CA . 15138 2 2 . 1 1 5 5 THR CB C 13 68.8 0.12 . 1 . . . . 5 T CB . 15138 2 3 . 1 1 5 5 THR CG2 C 13 22.3 0.06 . 1 . . . . 5 T CG . 15138 2 stop_ save_ save_Threonine5_type3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Threonine5_type3 _Assigned_chem_shift_list.Entry_ID 15138 _Assigned_chem_shift_list.ID 3 _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 'They are additional peaks observed for those residues.' _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 '3D NCACX' . . . 15138 3 2 '3D NCOCX' . . . 15138 3 3 '2D CC DARR' . . . 15138 3 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $SPARKY . . 15138 3 2 $NMRPipe . . 15138 3 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 5 5 THR CA C 13 64.4 0.06 . 1 . . . . 5 T CA . 15138 3 2 . 1 1 5 5 THR CB C 13 68.4 0.02 . 1 . . . . 5 T CB . 15138 3 3 . 1 1 5 5 THR CG2 C 13 22.8 0.03 . 1 . . . . 5 T CG . 15138 3 stop_ save_ save_M42_type2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode M42_type2 _Assigned_chem_shift_list.Entry_ID 15138 _Assigned_chem_shift_list.ID 4 _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 'They are additional peaks observed for those residues.' _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 '3D NCACX' . . . 15138 4 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $SPARKY . . 15138 4 2 $NMRPipe . . 15138 4 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 42 42 MET CA C 13 58.4 0.12 . 1 . . . . 42 M CA . 15138 4 2 . 1 1 42 42 MET CB C 13 32.7 0.06 . 1 . . . . 42 M CB . 15138 4 stop_ save_