data_19591 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19591 _Entry.Title ; Aliphatic 13C Chemical Shift Assignments For the Intermediate State of the FF Domain L24A Mutant ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-10-30 _Entry.Accession_date 2013-10-30 _Entry.Last_release_date 2014-02-11 _Entry.Original_release_date 2014-02-11 _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 Guillaume Bouvignies . . . 19591 2 Pramodh Vallurupalli . . . 19591 3 Lewis Kay . E. . 19591 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19591 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 203 19591 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 . . 2014-02-11 2013-10-30 original author . 19591 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19590 Fyn_SH3_G48A 19591 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 19591 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24211467 _Citation.Full_citation . _Citation.Title 'Visualizing side chains of invisible protein conformers by solution NMR.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 426 _Citation.Journal_issue 3 _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 763 _Citation.Page_last 774 _Citation.Year 2014 _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 Guillaume Bouvignies . . . 19591 1 2 Pramodh Vallurupalli . . . 19591 1 3 Lewis Kay . E. . 19591 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID CEST 19591 1 'chemical shifts' 19591 1 'conformationally excited states' 19591 1 'protein side chains' 19591 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19591 _Assembly.ID 1 _Assembly.Name 'FF domain L24A mutant' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _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 . _Assembly.Molecular_mass 8194.3 _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 'FF domain L24A mutant, 1' 1 $FF_domain_L24A_mutant A . yes native no yes . . . 19591 1 2 'FF domain L24A mutant, 2' 1 $FF_domain_L24A_mutant A . yes native no yes . . . 19591 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FF_domain_L24A_mutant _Entity.Sf_category entity _Entity.Sf_framecode FF_domain_L24A_mutant _Entity.Entry_ID 19591 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name FF_domain_L24A_mutant _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 ; GSQPAKKTYTWNTKEEAKQA FKEALKEKRVPSNASWEQAM KMIINDPRYSALAKLSEKKQ AFNAYKVQTEK ; _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 71 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation L24A _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8194.3 _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 no BMRB 17489 . FF_Domain_L24A . . . . . 98.59 70 100.00 100.00 1.75e-40 . . . . 19591 1 2 no BMRB 18010 . FF11-60 . . . . . 69.01 50 97.96 97.96 1.16e-23 . . . . 19591 1 3 no BMRB 26520 . A39G_FF . . . . . 98.59 71 98.57 98.57 9.91e-40 . . . . 19591 1 4 no PDB 1UZC . "The Structure Of An Ff Domain From Human HypaFBP11" . . . . . 100.00 71 98.59 98.59 6.53e-41 . . . . 19591 1 5 no PDB 2KZG . "A Transient And Low Populated Protein Folding Intermediate At Atomic Resolution" . . . . . 100.00 71 98.59 98.59 6.53e-41 . . . . 19591 1 6 no PDB 2L9V . "Nmr Structure Of The Ff Domain L24a Mutant's Folding Transition State" . . . . . 69.01 49 100.00 100.00 8.00e-25 . . . . 19591 1 7 no PDB 2LKS . Ff11-60 . . . . . 69.01 50 97.96 97.96 1.16e-23 . . . . 19591 1 8 no DBJ BAB15016 . "unnamed protein product [Homo sapiens]" . . . . . 98.59 323 98.57 98.57 4.89e-38 . . . . 19591 1 9 no DBJ BAG60744 . "unnamed protein product [Homo sapiens]" . . . . . 98.59 816 98.57 98.57 1.53e-36 . . . . 19591 1 10 no GB AAC27501 . "huntingtin-interacting protein HYPA/FBP11 [Homo sapiens]" . . . . . 95.77 423 97.06 97.06 3.83e-36 . . . . 19591 1 11 no GB AAC27506 . "huntingtin-interacting protein HYPA/FBP11 [Homo sapiens]" . . . . . 95.77 452 97.06 97.06 6.47e-36 . . . . 19591 1 12 no GB AAD39463 . "formin binding protein 11 [Mus musculus]" . . . . . 98.59 953 98.57 98.57 2.92e-36 . . . . 19591 1 13 no GB AAH11788 . "PRPF40A protein, partial [Homo sapiens]" . . . . . 98.59 411 97.14 98.57 4.19e-37 . . . . 19591 1 14 no GB AAH29414 . "PRPF40A protein, partial [Homo sapiens]" . . . . . 94.37 414 98.51 98.51 7.63e-36 . . . . 19591 1 15 no REF NP_001099950 . "pre-mRNA-processing factor 40 homolog A [Rattus norvegicus]" . . . . . 98.59 953 98.57 98.57 2.86e-36 . . . . 19591 1 16 no REF NP_001231502 . "pre-mRNA-processing factor 40 homolog A [Sus scrofa]" . . . . . 97.18 957 98.55 98.55 8.82e-36 . . . . 19591 1 17 no REF NP_060362 . "pre-mRNA-processing factor 40 homolog A [Homo sapiens]" . . . . . 98.59 930 98.57 98.57 2.52e-36 . . . . 19591 1 18 no REF NP_061255 . "pre-mRNA-processing factor 40 homolog A [Mus musculus]" . . . . . 98.59 953 98.57 98.57 2.92e-36 . . . . 19591 1 19 no REF XP_001365479 . "PREDICTED: pre-mRNA-processing factor 40 homolog A isoform X1 [Monodelphis domestica]" . . . . . 98.59 1038 98.57 98.57 3.38e-36 . . . . 19591 1 20 no SP O75400 . "RecName: Full=Pre-mRNA-processing factor 40 homolog A; AltName: Full=Fas ligand-associated factor 1; AltName: Full=Formin-bindi" . . . . . 98.59 957 98.57 98.57 2.78e-36 . . . . 19591 1 21 no SP Q9R1C7 . "RecName: Full=Pre-mRNA-processing factor 40 homolog A; AltName: Full=Formin-binding protein 11; Short=FBP-11; AltName: Full=For" . . . . . 98.59 953 98.57 98.57 2.92e-36 . . . . 19591 1 22 no TPG DAA32724 . "TPA: formin binding protein 3-like [Bos taurus]" . . . . . 98.59 929 98.57 98.57 2.21e-36 . . . . 19591 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 1 GLY . 19591 1 2 2 SER . 19591 1 3 3 GLN . 19591 1 4 4 PRO . 19591 1 5 5 ALA . 19591 1 6 6 LYS . 19591 1 7 7 LYS . 19591 1 8 8 THR . 19591 1 9 9 TYR . 19591 1 10 10 THR . 19591 1 11 11 TRP . 19591 1 12 12 ASN . 19591 1 13 13 THR . 19591 1 14 14 LYS . 19591 1 15 15 GLU . 19591 1 16 16 GLU . 19591 1 17 17 ALA . 19591 1 18 18 LYS . 19591 1 19 19 GLN . 19591 1 20 20 ALA . 19591 1 21 21 PHE . 19591 1 22 22 LYS . 19591 1 23 23 GLU . 19591 1 24 24 ALA . 19591 1 25 25 LEU . 19591 1 26 26 LYS . 19591 1 27 27 GLU . 19591 1 28 28 LYS . 19591 1 29 29 ARG . 19591 1 30 30 VAL . 19591 1 31 31 PRO . 19591 1 32 32 SER . 19591 1 33 33 ASN . 19591 1 34 34 ALA . 19591 1 35 35 SER . 19591 1 36 36 TRP . 19591 1 37 37 GLU . 19591 1 38 38 GLN . 19591 1 39 39 ALA . 19591 1 40 40 MET . 19591 1 41 41 LYS . 19591 1 42 42 MET . 19591 1 43 43 ILE . 19591 1 44 44 ILE . 19591 1 45 45 ASN . 19591 1 46 46 ASP . 19591 1 47 47 PRO . 19591 1 48 48 ARG . 19591 1 49 49 TYR . 19591 1 50 50 SER . 19591 1 51 51 ALA . 19591 1 52 52 LEU . 19591 1 53 53 ALA . 19591 1 54 54 LYS . 19591 1 55 55 LEU . 19591 1 56 56 SER . 19591 1 57 57 GLU . 19591 1 58 58 LYS . 19591 1 59 59 LYS . 19591 1 60 60 GLN . 19591 1 61 61 ALA . 19591 1 62 62 PHE . 19591 1 63 63 ASN . 19591 1 64 64 ALA . 19591 1 65 65 TYR . 19591 1 66 66 LYS . 19591 1 67 67 VAL . 19591 1 68 68 GLN . 19591 1 69 69 THR . 19591 1 70 70 GLU . 19591 1 71 71 LYS . 19591 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 19591 1 . SER 2 2 19591 1 . GLN 3 3 19591 1 . PRO 4 4 19591 1 . ALA 5 5 19591 1 . LYS 6 6 19591 1 . LYS 7 7 19591 1 . THR 8 8 19591 1 . TYR 9 9 19591 1 . THR 10 10 19591 1 . TRP 11 11 19591 1 . ASN 12 12 19591 1 . THR 13 13 19591 1 . LYS 14 14 19591 1 . GLU 15 15 19591 1 . GLU 16 16 19591 1 . ALA 17 17 19591 1 . LYS 18 18 19591 1 . GLN 19 19 19591 1 . ALA 20 20 19591 1 . PHE 21 21 19591 1 . LYS 22 22 19591 1 . GLU 23 23 19591 1 . ALA 24 24 19591 1 . LEU 25 25 19591 1 . LYS 26 26 19591 1 . GLU 27 27 19591 1 . LYS 28 28 19591 1 . ARG 29 29 19591 1 . VAL 30 30 19591 1 . PRO 31 31 19591 1 . SER 32 32 19591 1 . ASN 33 33 19591 1 . ALA 34 34 19591 1 . SER 35 35 19591 1 . TRP 36 36 19591 1 . GLU 37 37 19591 1 . GLN 38 38 19591 1 . ALA 39 39 19591 1 . MET 40 40 19591 1 . LYS 41 41 19591 1 . MET 42 42 19591 1 . ILE 43 43 19591 1 . ILE 44 44 19591 1 . ASN 45 45 19591 1 . ASP 46 46 19591 1 . PRO 47 47 19591 1 . ARG 48 48 19591 1 . TYR 49 49 19591 1 . SER 50 50 19591 1 . ALA 51 51 19591 1 . LEU 52 52 19591 1 . ALA 53 53 19591 1 . LYS 54 54 19591 1 . LEU 55 55 19591 1 . SER 56 56 19591 1 . GLU 57 57 19591 1 . LYS 58 58 19591 1 . LYS 59 59 19591 1 . GLN 60 60 19591 1 . ALA 61 61 19591 1 . PHE 62 62 19591 1 . ASN 63 63 19591 1 . ALA 64 64 19591 1 . TYR 65 65 19591 1 . LYS 66 66 19591 1 . VAL 67 67 19591 1 . GLN 68 68 19591 1 . THR 69 69 19591 1 . GLU 70 70 19591 1 . LYS 71 71 19591 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 19591 _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 $FF_domain_L24A_mutant . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19591 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 19591 _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 $FF_domain_L24A_mutant . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli C41 . . . . . . . . . . . . . . . pET . . . . . . 19591 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19591 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 'FF domain L24A mutant' '[U-100% 13C; U-100% 15N]' . . 1 $FF_domain_L24A_mutant . . 2.0 . . mM . . . . 19591 1 2 'sodium acetate' 'natural abundance' . . . . . . 50 . . mM . . . . 19591 1 3 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 19591 1 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 19591 1 5 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 19591 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19591 1 7 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 19591 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 19591 _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 5.7 . pH 19591 1 pressure 1 . atm 19591 1 temperature 273 . K 19591 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19591 _Software.ID 1 _Software.Name NMRPipe _Software.Version '7.5 Rev 2012.204.11.07' _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19591 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19591 1 processing 19591 1 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 19591 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'cryogenically cooled probe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 19591 _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 Varian INOVA . 600 'cryogenically cooled probe' . . 19591 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 19591 _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 '2D aliphatic 13C CEST' no 1 $2D_aliphatic_13C_CEST . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19591 1 stop_ save_ save_2D_aliphatic_13C_CEST _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_aliphatic_13C_CEST _NMR_spec_expt.Entry_ID 19591 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $NMRPipe _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 19591 _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 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19591 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 19591 _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 . _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 '2D aliphatic 13C CEST' . . . 19591 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 2 2 SER CA C 13 58.05 0.02 . 1 . . . . 2 SER CA . 19591 1 2 . 1 1 2 2 SER CB C 13 63.72 0.03 . 1 . . . . 2 SER CB . 19591 1 3 . 1 1 3 3 GLN CA C 13 53.49 0.02 . 1 . . . . 3 GLN CA . 19591 1 4 . 1 1 3 3 GLN CB C 13 29.26 0.03 . 1 . . . . 3 GLN CB . 19591 1 5 . 1 1 3 3 GLN CG C 13 33.72 0.03 . 1 . . . . 3 GLN CG . 19591 1 6 . 1 1 4 4 PRO CA C 13 62.80 0.02 . 1 . . . . 4 PRO CA . 19591 1 7 . 1 1 4 4 PRO CB C 13 32.39 0.03 . 1 . . . . 4 PRO CB . 19591 1 8 . 1 1 4 4 PRO CG C 13 27.16 0.06 . 1 . . . . 4 PRO CG . 19591 1 9 . 1 1 4 4 PRO CD C 13 50.49 0.02 . 1 . . . . 4 PRO CD . 19591 1 10 . 1 1 5 5 ALA CA C 13 52.12 0.02 . 1 . . . . 5 ALA CA . 19591 1 11 . 1 1 5 5 ALA CB C 13 19.45 0.02 . 1 . . . . 5 ALA CB . 19591 1 12 . 1 1 6 6 LYS CB C 13 33.47 0.03 . 1 . . . . 6 LYS CB . 19591 1 13 . 1 1 6 6 LYS CG C 13 24.98 0.04 . 1 . . . . 6 LYS CG . 19591 1 14 . 1 1 6 6 LYS CD C 13 28.79 0.02 . 1 . . . . 6 LYS CD . 19591 1 15 . 1 1 6 6 LYS CE C 13 41.89 0.03 . 1 . . . . 6 LYS CE . 19591 1 16 . 1 1 7 7 LYS CB C 13 33.53 0.04 . 1 . . . . 7 LYS CB . 19591 1 17 . 1 1 7 7 LYS CG C 13 25.05 0.04 . 1 . . . . 7 LYS CG . 19591 1 18 . 1 1 7 7 LYS CD C 13 28.83 0.05 . 1 . . . . 7 LYS CD . 19591 1 19 . 1 1 7 7 LYS CE C 13 41.78 0.01 . 1 . . . . 7 LYS CE . 19591 1 20 . 1 1 8 8 THR CA C 13 61.26 0.02 . 1 . . . . 8 THR CA . 19591 1 21 . 1 1 8 8 THR CB C 13 69.78 0.02 . 1 . . . . 8 THR CB . 19591 1 22 . 1 1 9 9 TYR CA C 13 57.70 0.02 . 1 . . . . 9 TYR CA . 19591 1 23 . 1 1 9 9 TYR CB C 13 39.05 0.04 . 1 . . . . 9 TYR CB . 19591 1 24 . 1 1 10 10 THR CA C 13 61.43 0.01 . 1 . . . . 10 THR CA . 19591 1 25 . 1 1 10 10 THR CB C 13 69.96 0.01 . 1 . . . . 10 THR CB . 19591 1 26 . 1 1 10 10 THR CG2 C 13 21.47 0.02 . 1 . . . . 10 THR CG2 . 19591 1 27 . 1 1 11 11 TRP CA C 13 57.62 0.05 . 1 . . . . 11 TRP CA . 19591 1 28 . 1 1 11 11 TRP CB C 13 29.88 0.06 . 1 . . . . 11 TRP CB . 19591 1 29 . 1 1 12 12 ASN CA C 13 54.04 0.08 . 1 . . . . 12 ASN CA . 19591 1 30 . 1 1 12 12 ASN CB C 13 39.29 0.01 . 1 . . . . 12 ASN CB . 19591 1 31 . 1 1 13 13 THR CB C 13 70.86 0.09 . 1 . . . . 13 THR CB . 19591 1 32 . 1 1 13 13 THR CG2 C 13 22.01 0.03 . 1 . . . . 13 THR CG2 . 19591 1 33 . 1 1 14 14 LYS CA C 13 58.00 0.01 . 1 . . . . 14 LYS CA . 19591 1 34 . 1 1 14 14 LYS CB C 13 32.15 0.04 . 1 . . . . 14 LYS CB . 19591 1 35 . 1 1 14 14 LYS CG C 13 25.05 0.02 . 1 . . . . 14 LYS CG . 19591 1 36 . 1 1 14 14 LYS CE C 13 41.46 0.17 . 1 . . . . 14 LYS CE . 19591 1 37 . 1 1 15 15 GLU CA C 13 58.47 0.01 . 1 . . . . 15 GLU CA . 19591 1 38 . 1 1 15 15 GLU CB C 13 29.55 0.03 . 1 . . . . 15 GLU CB . 19591 1 39 . 1 1 15 15 GLU CG C 13 36.09 0.03 . 1 . . . . 15 GLU CG . 19591 1 40 . 1 1 16 16 GLU CA C 13 58.18 0.02 . 1 . . . . 16 GLU CA . 19591 1 41 . 1 1 16 16 GLU CB C 13 30.09 0.03 . 1 . . . . 16 GLU CB . 19591 1 42 . 1 1 16 16 GLU CG C 13 36.48 0.03 . 1 . . . . 16 GLU CG . 19591 1 43 . 1 1 17 17 ALA CA C 13 53.88 0.01 . 1 . . . . 17 ALA CA . 19591 1 44 . 1 1 17 17 ALA CB C 13 18.67 0.02 . 1 . . . . 17 ALA CB . 19591 1 45 . 1 1 18 18 LYS CA C 13 58.40 0.01 . 1 . . . . 18 LYS CA . 19591 1 46 . 1 1 18 18 LYS CB C 13 32.43 0.05 . 1 . . . . 18 LYS CB . 19591 1 47 . 1 1 18 18 LYS CG C 13 25.16 0.03 . 1 . . . . 18 LYS CG . 19591 1 48 . 1 1 18 18 LYS CD C 13 29.31 0.02 . 1 . . . . 18 LYS CD . 19591 1 49 . 1 1 18 18 LYS CE C 13 42.16 0.02 . 1 . . . . 18 LYS CE . 19591 1 50 . 1 1 19 19 GLN CA C 13 57.47 0.02 . 1 . . . . 19 GLN CA . 19591 1 51 . 1 1 19 19 GLN CB C 13 28.64 0.04 . 1 . . . . 19 GLN CB . 19591 1 52 . 1 1 19 19 GLN CG C 13 33.63 0.03 . 1 . . . . 19 GLN CG . 19591 1 53 . 1 1 20 20 ALA CA C 13 53.96 0.03 . 1 . . . . 20 ALA CA . 19591 1 54 . 1 1 20 20 ALA CB C 13 18.68 0.01 . 1 . . . . 20 ALA CB . 19591 1 55 . 1 1 21 21 PHE CA C 13 59.47 0.01 . 1 . . . . 21 PHE CA . 19591 1 56 . 1 1 21 21 PHE CB C 13 39.17 0.06 . 1 . . . . 21 PHE CB . 19591 1 57 . 1 1 22 22 LYS CA C 13 58.51 0.01 . 1 . . . . 22 LYS CA . 19591 1 58 . 1 1 22 22 LYS CB C 13 32.62 0.05 . 1 . . . . 22 LYS CB . 19591 1 59 . 1 1 22 22 LYS CG C 13 25.04 0.04 . 1 . . . . 22 LYS CG . 19591 1 60 . 1 1 22 22 LYS CD C 13 29.31 0.01 . 1 . . . . 22 LYS CD . 19591 1 61 . 1 1 22 22 LYS CE C 13 42.53 0.02 . 1 . . . . 22 LYS CE . 19591 1 62 . 1 1 23 23 GLU CA C 13 58.01 0.01 . 1 . . . . 23 GLU CA . 19591 1 63 . 1 1 23 23 GLU CB C 13 29.61 0.06 . 1 . . . . 23 GLU CB . 19591 1 64 . 1 1 23 23 GLU CG C 13 36.02 0.02 . 1 . . . . 23 GLU CG . 19591 1 65 . 1 1 24 24 ALA CA C 13 53.99 0.01 . 1 . . . . 24 ALA CA . 19591 1 66 . 1 1 24 24 ALA CB C 13 18.49 0.01 . 1 . . . . 24 ALA CB . 19591 1 67 . 1 1 25 25 LEU CA C 13 56.54 0.01 . 1 . . . . 25 LEU CA . 19591 1 68 . 1 1 25 25 LEU CB C 13 41.94 0.06 . 1 . . . . 25 LEU CB . 19591 1 69 . 1 1 25 25 LEU CG C 13 26.47 0.06 . 1 . . . . 25 LEU CG . 19591 1 70 . 1 1 25 25 LEU CD1 C 13 25.22 0.01 . 2 . . . . 25 LEU CD1 . 19591 1 71 . 1 1 25 25 LEU CD2 C 13 24.96 4.44 . 2 . . . . 25 LEU CD2 . 19591 1 72 . 1 1 26 26 LYS CA C 13 57.81 0.02 . 1 . . . . 26 LYS CA . 19591 1 73 . 1 1 26 26 LYS CB C 13 32.66 0.03 . 1 . . . . 26 LYS CB . 19591 1 74 . 1 1 26 26 LYS CG C 13 24.72 0.06 . 1 . . . . 26 LYS CG . 19591 1 75 . 1 1 26 26 LYS CD C 13 29.81 0.12 . 1 . . . . 26 LYS CD . 19591 1 76 . 1 1 27 27 GLU CA C 13 57.08 0.01 . 1 . . . . 27 GLU CA . 19591 1 77 . 1 1 27 27 GLU CB C 13 30.16 0.03 . 1 . . . . 27 GLU CB . 19591 1 78 . 1 1 27 27 GLU CG C 13 36.14 0.01 . 1 . . . . 27 GLU CG . 19591 1 79 . 1 1 28 28 LYS CA C 13 56.09 0.02 . 1 . . . . 28 LYS CA . 19591 1 80 . 1 1 28 28 LYS CB C 13 31.63 0.07 . 1 . . . . 28 LYS CB . 19591 1 81 . 1 1 28 28 LYS CG C 13 25.04 0.02 . 1 . . . . 28 LYS CG . 19591 1 82 . 1 1 28 28 LYS CD C 13 28.73 0.02 . 1 . . . . 28 LYS CD . 19591 1 83 . 1 1 28 28 LYS CE C 13 42.06 0.02 . 1 . . . . 28 LYS CE . 19591 1 84 . 1 1 29 29 ARG CA C 13 55.63 0.02 . 1 . . . . 29 ARG CA . 19591 1 85 . 1 1 29 29 ARG CB C 13 30.10 0.08 . 1 . . . . 29 ARG CB . 19591 1 86 . 1 1 29 29 ARG CG C 13 26.45 0.03 . 1 . . . . 29 ARG CG . 19591 1 87 . 1 1 29 29 ARG CD C 13 43.79 0.02 . 1 . . . . 29 ARG CD . 19591 1 88 . 1 1 30 30 VAL CA C 13 59.72 0.01 . 1 . . . . 30 VAL CA . 19591 1 89 . 1 1 30 30 VAL CB C 13 32.67 0.03 . 1 . . . . 30 VAL CB . 19591 1 90 . 1 1 30 30 VAL CG1 C 13 21.21 0.02 . 2 . . . . 30 VAL CG1 . 19591 1 91 . 1 1 30 30 VAL CG2 C 13 20.59 0.01 . 2 . . . . 30 VAL CG2 . 19591 1 92 . 1 1 31 31 PRO CA C 13 62.97 0.04 . 1 . . . . 31 PRO CA . 19591 1 93 . 1 1 31 31 PRO CB C 13 32.30 0.02 . 1 . . . . 31 PRO CB . 19591 1 94 . 1 1 31 31 PRO CG C 13 27.42 0.04 . 1 . . . . 31 PRO CG . 19591 1 95 . 1 1 31 31 PRO CD C 13 51.57 0.44 . 1 . . . . 31 PRO CD . 19591 1 96 . 1 1 32 32 SER CA C 13 59.32 0.02 . 1 . . . . 32 SER CA . 19591 1 97 . 1 1 33 33 ASN CA C 13 53.06 0.12 . 1 . . . . 33 ASN CA . 19591 1 98 . 1 1 33 33 ASN CB C 13 38.40 0.03 . 1 . . . . 33 ASN CB . 19591 1 99 . 1 1 34 34 ALA CA C 13 52.96 0.01 . 1 . . . . 34 ALA CA . 19591 1 100 . 1 1 34 34 ALA CB C 13 19.73 0.26 . 1 . . . . 34 ALA CB . 19591 1 101 . 1 1 35 35 SER CB C 13 64.17 0.05 . 1 . . . . 35 SER CB . 19591 1 102 . 1 1 36 36 TRP CA C 13 59.71 0.05 . 1 . . . . 36 TRP CA . 19591 1 103 . 1 1 36 36 TRP CB C 13 29.25 0.10 . 1 . . . . 36 TRP CB . 19591 1 104 . 1 1 37 37 GLU CA C 13 59.26 0.01 . 1 . . . . 37 GLU CA . 19591 1 105 . 1 1 37 37 GLU CB C 13 29.36 0.04 . 1 . . . . 37 GLU CB . 19591 1 106 . 1 1 37 37 GLU CG C 13 36.40 0.01 . 1 . . . . 37 GLU CG . 19591 1 107 . 1 1 38 38 GLN CA C 13 57.82 0.02 . 1 . . . . 38 GLN CA . 19591 1 108 . 1 1 38 38 GLN CB C 13 28.88 0.09 . 1 . . . . 38 GLN CB . 19591 1 109 . 1 1 38 38 GLN CG C 13 33.91 0.04 . 1 . . . . 38 GLN CG . 19591 1 110 . 1 1 39 39 ALA CA C 13 54.37 0.01 . 1 . . . . 39 ALA CA . 19591 1 111 . 1 1 39 39 ALA CB C 13 18.68 0.02 . 1 . . . . 39 ALA CB . 19591 1 112 . 1 1 40 40 MET CA C 13 56.70 0.01 . 1 . . . . 40 MET CA . 19591 1 113 . 1 1 40 40 MET CG C 13 32.20 0.12 . 1 . . . . 40 MET CG . 19591 1 114 . 1 1 40 40 MET CE C 13 17.16 0.01 . 1 . . . . 40 MET CE . 19591 1 115 . 1 1 41 41 LYS CA C 13 58.23 0.01 . 1 . . . . 41 LYS CA . 19591 1 116 . 1 1 41 41 LYS CB C 13 32.54 0.02 . 1 . . . . 41 LYS CB . 19591 1 117 . 1 1 41 41 LYS CG C 13 25.07 0.04 . 1 . . . . 41 LYS CG . 19591 1 118 . 1 1 41 41 LYS CE C 13 42.31 0.03 . 1 . . . . 41 LYS CE . 19591 1 119 . 1 1 42 42 MET CA C 13 57.07 0.01 . 1 . . . . 42 MET CA . 19591 1 120 . 1 1 42 42 MET CE C 13 17.64 0.25 . 1 . . . . 42 MET CE . 19591 1 121 . 1 1 43 43 ILE CA C 13 62.67 0.01 . 1 . . . . 43 ILE CA . 19591 1 122 . 1 1 43 43 ILE CB C 13 38.58 0.02 . 1 . . . . 43 ILE CB . 19591 1 123 . 1 1 43 43 ILE CG1 C 13 27.77 0.04 . 1 . . . . 43 ILE CG1 . 19591 1 124 . 1 1 43 43 ILE CG2 C 13 17.83 0.03 . 1 . . . . 43 ILE CG2 . 19591 1 125 . 1 1 43 43 ILE CD1 C 13 13.25 0.01 . 1 . . . . 43 ILE CD1 . 19591 1 126 . 1 1 44 44 ILE CA C 13 62.53 0.01 . 1 . . . . 44 ILE CA . 19591 1 127 . 1 1 44 44 ILE CB C 13 38.29 0.02 . 1 . . . . 44 ILE CB . 19591 1 128 . 1 1 44 44 ILE CG1 C 13 27.65 0.01 . 1 . . . . 44 ILE CG1 . 19591 1 129 . 1 1 44 44 ILE CG2 C 13 17.58 0.01 . 1 . . . . 44 ILE CG2 . 19591 1 130 . 1 1 44 44 ILE CD1 C 13 13.41 0.01 . 1 . . . . 44 ILE CD1 . 19591 1 131 . 1 1 45 45 ASN CB C 13 39.10 0.04 . 1 . . . . 45 ASN CB . 19591 1 132 . 1 1 46 46 ASP CA C 13 51.96 0.16 . 1 . . . . 46 ASP CA . 19591 1 133 . 1 1 46 46 ASP CB C 13 42.91 0.05 . 1 . . . . 46 ASP CB . 19591 1 134 . 1 1 47 47 PRO CA C 13 64.37 0.01 . 1 . . . . 47 PRO CA . 19591 1 135 . 1 1 47 47 PRO CB C 13 32.19 0.02 . 1 . . . . 47 PRO CB . 19591 1 136 . 1 1 47 47 PRO CG C 13 27.16 0.01 . 1 . . . . 47 PRO CG . 19591 1 137 . 1 1 47 47 PRO CD C 13 50.97 0.07 . 1 . . . . 47 PRO CD . 19591 1 138 . 1 1 48 48 ARG CA C 13 57.35 0.03 . 1 . . . . 48 ARG CA . 19591 1 139 . 1 1 48 48 ARG CD C 13 43.45 0.06 . 1 . . . . 48 ARG CD . 19591 1 140 . 1 1 49 49 TYR CA C 13 58.25 0.01 . 1 . . . . 49 TYR CA . 19591 1 141 . 1 1 49 49 TYR CB C 13 39.17 0.08 . 1 . . . . 49 TYR CB . 19591 1 142 . 1 1 50 50 SER CA C 13 60.19 0.02 . 1 . . . . 50 SER CA . 19591 1 143 . 1 1 50 50 SER CB C 13 63.23 0.02 . 1 . . . . 50 SER CB . 19591 1 144 . 1 1 51 51 ALA CA C 13 53.85 0.01 . 1 . . . . 51 ALA CA . 19591 1 145 . 1 1 51 51 ALA CB C 13 18.70 0.01 . 1 . . . . 51 ALA CB . 19591 1 146 . 1 1 52 52 LEU CA C 13 56.22 0.02 . 1 . . . . 52 LEU CA . 19591 1 147 . 1 1 52 52 LEU CB C 13 41.71 0.07 . 1 . . . . 52 LEU CB . 19591 1 148 . 1 1 52 52 LEU CG C 13 26.89 0.08 . 1 . . . . 52 LEU CG . 19591 1 149 . 1 1 52 52 LEU CD1 C 13 25.21 0.04 . 2 . . . . 52 LEU CD1 . 19591 1 150 . 1 1 52 52 LEU CD2 C 13 23.56 0.01 . 2 . . . . 52 LEU CD2 . 19591 1 151 . 1 1 53 53 ALA CA C 13 53.67 0.01 . 1 . . . . 53 ALA CA . 19591 1 152 . 1 1 53 53 ALA CB C 13 18.79 0.01 . 1 . . . . 53 ALA CB . 19591 1 153 . 1 1 54 54 LYS CA C 13 56.94 0.01 . 1 . . . . 54 LYS CA . 19591 1 154 . 1 1 54 54 LYS CG C 13 25.46 0.24 . 1 . . . . 54 LYS CG . 19591 1 155 . 1 1 55 55 LEU CA C 13 56.00 0.02 . 1 . . . . 55 LEU CA . 19591 1 156 . 1 1 55 55 LEU CB C 13 42.18 0.02 . 1 . . . . 55 LEU CB . 19591 1 157 . 1 1 55 55 LEU CG C 13 27.29 0.07 . 1 . . . . 55 LEU CG . 19591 1 158 . 1 1 55 55 LEU CD1 C 13 25.16 0.01 . 2 . . . . 55 LEU CD1 . 19591 1 159 . 1 1 55 55 LEU CD2 C 13 23.51 0.01 . 2 . . . . 55 LEU CD2 . 19591 1 160 . 1 1 57 57 GLU CA C 13 57.01 0.02 . 1 . . . . 57 GLU CA . 19591 1 161 . 1 1 57 57 GLU CB C 13 30.79 0.06 . 1 . . . . 57 GLU CB . 19591 1 162 . 1 1 57 57 GLU CG C 13 36.16 0.02 . 1 . . . . 57 GLU CG . 19591 1 163 . 1 1 58 58 LYS CA C 13 56.72 0.15 . 1 . . . . 58 LYS CA . 19591 1 164 . 1 1 58 58 LYS CB C 13 32.75 0.04 . 1 . . . . 58 LYS CB . 19591 1 165 . 1 1 58 58 LYS CG C 13 24.90 0.09 . 1 . . . . 58 LYS CG . 19591 1 166 . 1 1 58 58 LYS CD C 13 29.01 0.03 . 1 . . . . 58 LYS CD . 19591 1 167 . 1 1 58 58 LYS CE C 13 42.07 0.04 . 1 . . . . 58 LYS CE . 19591 1 168 . 1 1 59 59 LYS CA C 13 56.83 0.01 . 1 . . . . 59 LYS CA . 19591 1 169 . 1 1 59 59 LYS CB C 13 32.81 0.04 . 1 . . . . 59 LYS CB . 19591 1 170 . 1 1 59 59 LYS CG C 13 24.82 0.02 . 1 . . . . 59 LYS CG . 19591 1 171 . 1 1 59 59 LYS CD C 13 28.87 0.06 . 1 . . . . 59 LYS CD . 19591 1 172 . 1 1 59 59 LYS CE C 13 42.10 0.02 . 1 . . . . 59 LYS CE . 19591 1 173 . 1 1 60 60 GLN CA C 13 56.17 0.01 . 1 . . . . 60 GLN CA . 19591 1 174 . 1 1 60 60 GLN CB C 13 29.43 0.01 . 1 . . . . 60 GLN CB . 19591 1 175 . 1 1 60 60 GLN CG C 13 34.24 0.03 . 1 . . . . 60 GLN CG . 19591 1 176 . 1 1 61 61 ALA CA C 13 52.70 0.03 . 1 . . . . 61 ALA CA . 19591 1 177 . 1 1 61 61 ALA CB C 13 19.22 0.01 . 1 . . . . 61 ALA CB . 19591 1 178 . 1 1 62 62 PHE CA C 13 58.17 0.02 . 1 . . . . 62 PHE CA . 19591 1 179 . 1 1 62 62 PHE CB C 13 39.83 0.07 . 1 . . . . 62 PHE CB . 19591 1 180 . 1 1 63 63 ASN CA C 13 53.29 0.02 . 1 . . . . 63 ASN CA . 19591 1 181 . 1 1 63 63 ASN CB C 13 38.92 0.03 . 1 . . . . 63 ASN CB . 19591 1 182 . 1 1 64 64 ALA CA C 13 52.94 0.01 . 1 . . . . 64 ALA CA . 19591 1 183 . 1 1 64 64 ALA CB C 13 19.06 0.01 . 1 . . . . 64 ALA CB . 19591 1 184 . 1 1 65 65 TYR CA C 13 58.05 0.01 . 1 . . . . 65 TYR CA . 19591 1 185 . 1 1 65 65 TYR CB C 13 38.55 0.10 . 1 . . . . 65 TYR CB . 19591 1 186 . 1 1 66 66 LYS CA C 13 56.25 0.01 . 1 . . . . 66 LYS CA . 19591 1 187 . 1 1 66 66 LYS CB C 13 33.18 0.04 . 1 . . . . 66 LYS CB . 19591 1 188 . 1 1 66 66 LYS CG C 13 24.86 0.04 . 1 . . . . 66 LYS CG . 19591 1 189 . 1 1 66 66 LYS CD C 13 29.10 0.02 . 1 . . . . 66 LYS CD . 19591 1 190 . 1 1 66 66 LYS CE C 13 41.40 0.04 . 1 . . . . 66 LYS CE . 19591 1 191 . 1 1 67 67 VAL CA C 13 62.51 0.01 . 1 . . . . 67 VAL CA . 19591 1 192 . 1 1 67 67 VAL CB C 13 32.66 0.01 . 1 . . . . 67 VAL CB . 19591 1 193 . 1 1 67 67 VAL CG1 C 13 21.42 0.03 . 2 . . . . 67 VAL CG1 . 19591 1 194 . 1 1 67 67 VAL CG2 C 13 21.08 0.03 . 2 . . . . 67 VAL CG2 . 19591 1 195 . 1 1 68 68 GLN CA C 13 55.91 0.01 . 1 . . . . 68 GLN CA . 19591 1 196 . 1 1 68 68 GLN CG C 13 34.07 0.10 . 1 . . . . 68 GLN CG . 19591 1 197 . 1 1 69 69 THR CA C 13 61.88 0.01 . 1 . . . . 69 THR CA . 19591 1 198 . 1 1 69 69 THR CB C 13 69.37 0.03 . 1 . . . . 69 THR CB . 19591 1 199 . 1 1 70 70 GLU CA C 13 57.03 0.02 . 1 . . . . 70 GLU CA . 19591 1 200 . 1 1 70 70 GLU CB C 13 29.93 0.06 . 1 . . . . 70 GLU CB . 19591 1 201 . 1 1 70 70 GLU CG C 13 35.66 0.02 . 1 . . . . 70 GLU CG . 19591 1 202 . 1 1 71 71 LYS CA C 13 57.48 0.02 . 1 . . . . 71 LYS CA . 19591 1 203 . 1 1 71 71 LYS CB C 13 33.91 0.02 . 1 . . . . 71 LYS CB . 19591 1 stop_ save_