data_15880 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15880 _Entry.Title ; Structure of Rab11-FIP2 C-terminal Coiled-coil Domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-07-18 _Entry.Accession_date 2008-07-18 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _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 Jie Wei . . . 15880 2 Yuqi Liu . . . 15880 3 James Baleja . D. . 15880 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . 15880 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Coiled-coil Domain' . 15880 Rab11-FIP2 . 15880 'Solution Structure' . 15880 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15880 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 60 15880 '15N chemical shifts' 35 15880 '1H chemical shifts' 299 15880 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-05-27 2008-07-18 update BMRB 'update entity/assembly name' 15880 1 . . 2009-02-13 2008-07-18 original author 'original release' 15880 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2K6S 'BMRB Entry Tracking System' 15880 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15880 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19119858 _Citation.Full_citation . _Citation.Title 'Disorder and structure in the Rab11 binding domain of Rab11 family interacting protein 2.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 48 _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 549 _Citation.Page_last 557 _Citation.Year 2009 _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 Jie Wei . . . 15880 1 2 Yuqi Liu . . . 15880 1 3 Kakoli Bose . . . 15880 1 4 Gillian Henry . . . 15880 1 5 Jim Baleja . D. . 15880 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15880 _Assembly.ID 1 _Assembly.Name Rab11-FIP2 _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 entity_1 1 $entity A . yes native no no . . . 15880 1 2 entity_2 1 $entity B . yes native no no . . . 15880 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 15880 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Rab11-FIP2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSLTYEEVLQELVKHKELLR RKDTHIRELEDYIDNLLVRV M ; _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 41 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5004.829 _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 no PDB 2GZD . "Crystal Structure Of Rab11 In Complex With Rab11-Fip2" . . . . . 95.12 107 100.00 100.00 4.42e-17 . . . . 15880 1 2 no PDB 2GZH . "Crystal Structure Of Rab11 In Complex With Rab11-Family Interacting Protein 2" . . . . . 95.12 107 100.00 100.00 4.42e-17 . . . . 15880 1 3 no PDB 2K6S . "Structure Of Rab11-Fip2 C-Terminal Coiled-Coil Domain" . . . . . 100.00 41 100.00 100.00 3.36e-18 . . . . 15880 1 4 no PDB 3TSO . "Structure Of The Cancer Associated Rab25 Protein In Complex With Fip2" . . . . . 97.56 75 100.00 100.00 1.22e-17 . . . . 15880 1 5 no PDB 4C4P . "Crystal Structure Of Wild-type Rab11 Complexed To Fip2" . . . . . 97.56 107 100.00 100.00 5.38e-18 . . . . 15880 1 6 no DBJ BAA76785 . "KIAA0941 protein [Homo sapiens]" . . . . . 97.56 512 100.00 100.00 3.77e-16 . . . . 15880 1 7 no DBJ BAE32923 . "unnamed protein product [Mus musculus]" . . . . . 97.56 529 100.00 100.00 2.74e-16 . . . . 15880 1 8 no DBJ BAG09909 . "RAB11 family-interacting protein 2 [synthetic construct]" . . . . . 97.56 512 100.00 100.00 3.77e-16 . . . . 15880 1 9 no GB AAH75073 . "RAB11 family interacting protein 2 (class I) [Homo sapiens]" . . . . . 97.56 512 100.00 100.00 3.77e-16 . . . . 15880 1 10 no GB AAH75074 . "RAB11 family interacting protein 2 (class I) [Homo sapiens]" . . . . . 97.56 512 100.00 100.00 3.77e-16 . . . . 15880 1 11 no GB AAH89010 . "Rab11fip2 protein, partial [Mus musculus]" . . . . . 97.56 386 100.00 100.00 4.73e-17 . . . . 15880 1 12 no GB AAI39381 . "RAB11 family interacting protein 2 (class I) [Mus musculus]" . . . . . 97.56 529 100.00 100.00 2.74e-16 . . . . 15880 1 13 no GB AAI39420 . "RAB11 family interacting protein 2 (class I) [Mus musculus]" . . . . . 97.56 529 100.00 100.00 2.74e-16 . . . . 15880 1 14 no REF NP_001028344 . "rab11 family-interacting protein 2 isoform 1 [Mus musculus]" . . . . . 97.56 529 100.00 100.00 2.74e-16 . . . . 15880 1 15 no REF NP_001100917 . "rab11 family-interacting protein 2 [Rattus norvegicus]" . . . . . 97.56 512 100.00 100.00 2.64e-16 . . . . 15880 1 16 no REF NP_001157839 . "rab11 family-interacting protein 2 isoform 2 [Mus musculus]" . . . . . 97.56 370 100.00 100.00 3.17e-17 . . . . 15880 1 17 no REF NP_001179700 . "rab11 family-interacting protein 2 [Bos taurus]" . . . . . 97.56 511 97.50 100.00 1.05e-15 . . . . 15880 1 18 no REF NP_055719 . "rab11 family-interacting protein 2 [Homo sapiens]" . . . . . 97.56 512 100.00 100.00 3.77e-16 . . . . 15880 1 19 no SP G3XA57 . "RecName: Full=Rab11 family-interacting protein 2; Short=Rab11-FIP2" . . . . . 97.56 512 100.00 100.00 3.62e-16 . . . . 15880 1 20 no SP Q7L804 . "RecName: Full=Rab11 family-interacting protein 2; Short=Rab11-FIP2; AltName: Full=NRip11" . . . . . 97.56 512 100.00 100.00 3.77e-16 . . . . 15880 1 21 no TPG DAA14748 . "TPA: RAB11 family interacting protein 2 (class I) [Bos taurus]" . . . . . 97.56 511 97.50 100.00 1.05e-15 . . . . 15880 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 0 GLY . 15880 1 2 1 SER . 15880 1 3 2 LEU . 15880 1 4 3 THR . 15880 1 5 4 TYR . 15880 1 6 5 GLU . 15880 1 7 6 GLU . 15880 1 8 7 VAL . 15880 1 9 8 LEU . 15880 1 10 9 GLN . 15880 1 11 10 GLU . 15880 1 12 11 LEU . 15880 1 13 12 VAL . 15880 1 14 13 LYS . 15880 1 15 14 HIS . 15880 1 16 15 LYS . 15880 1 17 16 GLU . 15880 1 18 17 LEU . 15880 1 19 18 LEU . 15880 1 20 19 ARG . 15880 1 21 20 ARG . 15880 1 22 21 LYS . 15880 1 23 22 ASP . 15880 1 24 23 THR . 15880 1 25 24 HIS . 15880 1 26 25 ILE . 15880 1 27 26 ARG . 15880 1 28 27 GLU . 15880 1 29 28 LEU . 15880 1 30 29 GLU . 15880 1 31 30 ASP . 15880 1 32 31 TYR . 15880 1 33 32 ILE . 15880 1 34 33 ASP . 15880 1 35 34 ASN . 15880 1 36 35 LEU . 15880 1 37 36 LEU . 15880 1 38 37 VAL . 15880 1 39 38 ARG . 15880 1 40 39 VAL . 15880 1 41 40 MET . 15880 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 15880 1 . SER 2 2 15880 1 . LEU 3 3 15880 1 . THR 4 4 15880 1 . TYR 5 5 15880 1 . GLU 6 6 15880 1 . GLU 7 7 15880 1 . VAL 8 8 15880 1 . LEU 9 9 15880 1 . GLN 10 10 15880 1 . GLU 11 11 15880 1 . LEU 12 12 15880 1 . VAL 13 13 15880 1 . LYS 14 14 15880 1 . HIS 15 15 15880 1 . LYS 16 16 15880 1 . GLU 17 17 15880 1 . LEU 18 18 15880 1 . LEU 19 19 15880 1 . ARG 20 20 15880 1 . ARG 21 21 15880 1 . LYS 22 22 15880 1 . ASP 23 23 15880 1 . THR 24 24 15880 1 . HIS 25 25 15880 1 . ILE 26 26 15880 1 . ARG 27 27 15880 1 . GLU 28 28 15880 1 . LEU 29 29 15880 1 . GLU 30 30 15880 1 . ASP 31 31 15880 1 . TYR 32 32 15880 1 . ILE 33 33 15880 1 . ASP 34 34 15880 1 . ASN 35 35 15880 1 . LEU 36 36 15880 1 . LEU 37 37 15880 1 . VAL 38 38 15880 1 . ARG 39 39 15880 1 . VAL 40 40 15880 1 . MET 41 41 15880 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 15880 _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 $entity . 10090 organism . 'Human sapien' Human . . Eukaryota Metazoa Human sapien . . . . . . . . . . . . . . . . . . . . . 15880 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 15880 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET19b . . . . . . 15880 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15880 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 entity 'natural abundance' . . 1 $entity . . 1 . . mM . . . . 15880 1 2 DSS 'natural abundance' . . . . . . 20 . . uM . . . . 15880 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15880 1 4 D2O '[U-100% 2H]' . . . . . . 100 . . % . . . . 15880 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15880 _Sample.ID 2 _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 entity '[U-100% 15N]' . . 1 $entity . . 1.5 . . mM . . . . 15880 2 2 DSS 'natural abundance' . . . . . . 20 . . uM . . . . 15880 2 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15880 2 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15880 2 5 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 15880 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 15880 _Sample.ID 3 _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 entity '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 0.8 . . mM . . . . 15880 3 2 DSS 'natural abundance' . . . . . . 20 . . uM . . . . 15880 3 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15880 3 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15880 3 5 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 15880 3 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 15880 _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 'ionic strength' 0.08 . M 15880 1 pH 7.2 . pH 15880 1 pressure 1 . atm 15880 1 temperature 293 . K 15880 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 15880 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15880 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15880 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 15880 _Software.ID 2 _Software.Name TOPSPIN _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15880 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15880 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 15880 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15880 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 15880 _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 Avance . 600 . . . 15880 1 2 spectrometer_2 Bruker Avance . 800 . . . 15880 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 15880 _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 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15880 1 2 '2D 1H-1H COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15880 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15880 1 4 '3D HNCO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15880 1 5 '3D HNCA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15880 1 6 '3D HNCACB' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15880 1 7 '3D HN(CO)CA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15880 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15880 1 9 '3D CBCA(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15880 1 10 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15880 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 15880 _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 carbon' . . . . ppm 0 . direct 1.000000000 . . . . . . . . . 15880 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.000000000 . . . . . . . . . 15880 1 N 15 DSS 'methyl protons' . . . . ppm 0 . indirect 0.101329118 . . . . . . . . . 15880 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 15880 _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 1H-1H TOCSY' . . . 15880 1 2 '2D 1H-1H COSY' . . . 15880 1 3 '2D 1H-1H NOESY' . . . 15880 1 4 '3D HNCO' . . . 15880 1 5 '3D HNCA' . . . 15880 1 6 '3D HNCACB' . . . 15880 1 7 '3D HN(CO)CA' . . . 15880 1 8 '3D HCCH-TOCSY' . . . 15880 1 9 '3D CBCA(CO)NH' . . . 15880 1 10 '2D 1H-15N HSQC' . . . 15880 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 HA H 1 4.57 0.01 . 1 . . . . 1 SER HA . 15880 1 2 . 1 1 2 2 SER HB2 H 1 3.83 0.01 . 2 . . . . 1 SER HB2 . 15880 1 3 . 1 1 2 2 SER HB3 H 1 3.89 0.01 . 2 . . . . 1 SER HB3 . 15880 1 4 . 1 1 2 2 SER CA C 13 64.8 0.2 . 1 . . . . 1 SER CA . 15880 1 5 . 1 1 2 2 SER CB C 13 64.1 0.2 . 1 . . . . 1 SER CB . 15880 1 6 . 1 1 3 3 LEU H H 1 8.53 0.01 . 1 . . . . 2 LEU H . 15880 1 7 . 1 1 3 3 LEU HA H 1 4.7 0.01 . 1 . . . . 2 LEU HA . 15880 1 8 . 1 1 3 3 LEU HB2 H 1 1.69 0.01 . 2 . . . . 2 LEU HB2 . 15880 1 9 . 1 1 3 3 LEU HB3 H 1 1.65 0.01 . 2 . . . . 2 LEU HB3 . 15880 1 10 . 1 1 3 3 LEU HD11 H 1 0.84 0.01 . 2 . . . . 2 LEU HD1 . 15880 1 11 . 1 1 3 3 LEU HD12 H 1 0.84 0.01 . 2 . . . . 2 LEU HD1 . 15880 1 12 . 1 1 3 3 LEU HD13 H 1 0.84 0.01 . 2 . . . . 2 LEU HD1 . 15880 1 13 . 1 1 3 3 LEU HD21 H 1 0.84 0.01 . 2 . . . . 2 LEU HD2 . 15880 1 14 . 1 1 3 3 LEU HD22 H 1 0.84 0.01 . 2 . . . . 2 LEU HD2 . 15880 1 15 . 1 1 3 3 LEU HD23 H 1 0.84 0.01 . 2 . . . . 2 LEU HD2 . 15880 1 16 . 1 1 3 3 LEU HG H 1 1.65 0.01 . 1 . . . . 2 LEU HG . 15880 1 17 . 1 1 3 3 LEU CA C 13 54.7 0.2 . 1 . . . . 2 LEU CA . 15880 1 18 . 1 1 3 3 LEU CB C 13 43 0.2 . 1 . . . . 2 LEU CB . 15880 1 19 . 1 1 3 3 LEU N N 15 123.3 0.05 . 1 . . . . 2 LEU N . 15880 1 20 . 1 1 4 4 THR H H 1 9.52 0.01 . 1 . . . . 3 THR H . 15880 1 21 . 1 1 4 4 THR HA H 1 4.83 0.01 . 1 . . . . 3 THR HA . 15880 1 22 . 1 1 4 4 THR HB H 1 4.51 0.01 . 1 . . . . 3 THR HB . 15880 1 23 . 1 1 4 4 THR HG21 H 1 1.42 0.01 . 1 . . . . 3 THR HG2 . 15880 1 24 . 1 1 4 4 THR HG22 H 1 1.42 0.01 . 1 . . . . 3 THR HG2 . 15880 1 25 . 1 1 4 4 THR HG23 H 1 1.42 0.01 . 1 . . . . 3 THR HG2 . 15880 1 26 . 1 1 4 4 THR CA C 13 61.3 0.2 . 1 . . . . 3 THR CA . 15880 1 27 . 1 1 4 4 THR CB C 13 71.1 0.2 . 1 . . . . 3 THR CB . 15880 1 28 . 1 1 4 4 THR N N 15 116.2 0.05 . 1 . . . . 3 THR N . 15880 1 29 . 1 1 5 5 TYR H H 1 9.38 0.02 . 1 . . . . 4 TYR H . 15880 1 30 . 1 1 5 5 TYR HA H 1 4.12 0.02 . 1 . . . . 4 TYR HA . 15880 1 31 . 1 1 5 5 TYR HB2 H 1 3.34 0.02 . 2 . . . . 4 TYR HB2 . 15880 1 32 . 1 1 5 5 TYR HB3 H 1 3.12 0.02 . 2 . . . . 4 TYR HB3 . 15880 1 33 . 1 1 5 5 TYR HD1 H 1 7.08 0.02 . 3 . . . . 4 TYR HD1 . 15880 1 34 . 1 1 5 5 TYR HD2 H 1 7.08 0.02 . 3 . . . . 4 TYR HD2 . 15880 1 35 . 1 1 5 5 TYR HE1 H 1 6.8 0.02 . 3 . . . . 4 TYR HE1 . 15880 1 36 . 1 1 5 5 TYR HE2 H 1 6.8 0.02 . 3 . . . . 4 TYR HE2 . 15880 1 37 . 1 1 5 5 TYR CA C 13 62.3 0.2 . 1 . . . . 4 TYR CA . 15880 1 38 . 1 1 5 5 TYR CB C 13 38.6 0.2 . 1 . . . . 4 TYR CB . 15880 1 39 . 1 1 5 5 TYR N N 15 121.6 0.05 . 1 . . . . 4 TYR N . 15880 1 40 . 1 1 6 6 GLU H H 1 9 0.01 . 1 . . . . 5 GLU H . 15880 1 41 . 1 1 6 6 GLU HA H 1 3.9 0.01 . 1 . . . . 5 GLU HA . 15880 1 42 . 1 1 6 6 GLU HB2 H 1 2.15 0.01 . 2 . . . . 5 GLU HB2 . 15880 1 43 . 1 1 6 6 GLU HB3 H 1 2 0.01 . 2 . . . . 5 GLU HB3 . 15880 1 44 . 1 1 6 6 GLU HG2 H 1 2.55 0.01 . 2 . . . . 5 GLU HG2 . 15880 1 45 . 1 1 6 6 GLU HG3 H 1 2.4 0.01 . 2 . . . . 5 GLU HG3 . 15880 1 46 . 1 1 6 6 GLU CA C 13 60.5 0.2 . 1 . . . . 5 GLU CA . 15880 1 47 . 1 1 6 6 GLU CB C 13 28.7 0.2 . 1 . . . . 5 GLU CB . 15880 1 48 . 1 1 6 6 GLU N N 15 115.5 0.05 . 1 . . . . 5 GLU N . 15880 1 49 . 1 1 7 7 GLU H H 1 7.92 0.01 . 1 . . . . 6 GLU H . 15880 1 50 . 1 1 7 7 GLU HA H 1 4.06 0.01 . 1 . . . . 6 GLU HA . 15880 1 51 . 1 1 7 7 GLU HB2 H 1 2.55 0.01 . 2 . . . . 6 GLU HB2 . 15880 1 52 . 1 1 7 7 GLU HB3 H 1 2.55 0.01 . 2 . . . . 6 GLU HB3 . 15880 1 53 . 1 1 7 7 GLU HG2 H 1 2.39 0.01 . 2 . . . . 6 GLU HG2 . 15880 1 54 . 1 1 7 7 GLU HG3 H 1 2.39 0.01 . 2 . . . . 6 GLU HG3 . 15880 1 55 . 1 1 7 7 GLU CA C 13 59.2 0.2 . 1 . . . . 6 GLU CA . 15880 1 56 . 1 1 7 7 GLU CB C 13 30.4 0.2 . 1 . . . . 6 GLU CB . 15880 1 57 . 1 1 7 7 GLU N N 15 118.9 0.05 . 1 . . . . 6 GLU N . 15880 1 58 . 1 1 8 8 VAL H H 1 8.59 0.01 . 1 . . . . 7 VAL H . 15880 1 59 . 1 1 8 8 VAL HA H 1 3.64 0.01 . 1 . . . . 7 VAL HA . 15880 1 60 . 1 1 8 8 VAL HB H 1 1.96 0.01 . 1 . . . . 7 VAL HB . 15880 1 61 . 1 1 8 8 VAL HG11 H 1 0.87 0.01 . 2 . . . . 7 VAL HG1 . 15880 1 62 . 1 1 8 8 VAL HG12 H 1 0.87 0.01 . 2 . . . . 7 VAL HG1 . 15880 1 63 . 1 1 8 8 VAL HG13 H 1 0.87 0.01 . 2 . . . . 7 VAL HG1 . 15880 1 64 . 1 1 8 8 VAL HG21 H 1 0.73 0.01 . 2 . . . . 7 VAL HG2 . 15880 1 65 . 1 1 8 8 VAL HG22 H 1 0.73 0.01 . 2 . . . . 7 VAL HG2 . 15880 1 66 . 1 1 8 8 VAL HG23 H 1 0.73 0.01 . 2 . . . . 7 VAL HG2 . 15880 1 67 . 1 1 8 8 VAL CA C 13 66.4 0.2 . 1 . . . . 7 VAL CA . 15880 1 68 . 1 1 8 8 VAL CB C 13 30.8 0.2 . 1 . . . . 7 VAL CB . 15880 1 69 . 1 1 8 8 VAL N N 15 119.3 0.05 . 1 . . . . 7 VAL N . 15880 1 70 . 1 1 9 9 LEU H H 1 8.23 0.01 . 1 . . . . 8 LEU H . 15880 1 71 . 1 1 9 9 LEU HA H 1 3.87 0.01 . 1 . . . . 8 LEU HA . 15880 1 72 . 1 1 9 9 LEU HB2 H 1 1.53 0.01 . 2 . . . . 8 LEU HB2 . 15880 1 73 . 1 1 9 9 LEU HB3 H 1 1.53 0.01 . 2 . . . . 8 LEU HB3 . 15880 1 74 . 1 1 9 9 LEU HD11 H 1 0.81 0.01 . 2 . . . . 8 LEU HD1 . 15880 1 75 . 1 1 9 9 LEU HD12 H 1 0.81 0.01 . 2 . . . . 8 LEU HD1 . 15880 1 76 . 1 1 9 9 LEU HD13 H 1 0.81 0.01 . 2 . . . . 8 LEU HD1 . 15880 1 77 . 1 1 9 9 LEU HD21 H 1 0.81 0.01 . 2 . . . . 8 LEU HD2 . 15880 1 78 . 1 1 9 9 LEU HD22 H 1 0.81 0.01 . 2 . . . . 8 LEU HD2 . 15880 1 79 . 1 1 9 9 LEU HD23 H 1 0.81 0.01 . 2 . . . . 8 LEU HD2 . 15880 1 80 . 1 1 9 9 LEU HG H 1 0.84 0.01 . 1 . . . . 8 LEU HG . 15880 1 81 . 1 1 9 9 LEU CA C 13 58.5 0.2 . 1 . . . . 8 LEU CA . 15880 1 82 . 1 1 9 9 LEU CB C 13 41.1 0.2 . 1 . . . . 8 LEU CB . 15880 1 83 . 1 1 9 9 LEU N N 15 120.6 0.05 . 1 . . . . 8 LEU N . 15880 1 84 . 1 1 10 10 GLN H H 1 7.91 0.01 . 1 . . . . 9 GLN H . 15880 1 85 . 1 1 10 10 GLN HA H 1 4.09 0.01 . 1 . . . . 9 GLN HA . 15880 1 86 . 1 1 10 10 GLN HB2 H 1 2.29 0.01 . 2 . . . . 9 GLN HB2 . 15880 1 87 . 1 1 10 10 GLN HB3 H 1 2.16 0.01 . 2 . . . . 9 GLN HB3 . 15880 1 88 . 1 1 10 10 GLN HE21 H 1 6.96 0.01 . 1 . . . . 9 GLN HE21 . 15880 1 89 . 1 1 10 10 GLN HE22 H 1 7.6 0.01 . 1 . . . . 9 GLN HE22 . 15880 1 90 . 1 1 10 10 GLN HG2 H 1 2.55 0.01 . 2 . . . . 9 GLN HG2 . 15880 1 91 . 1 1 10 10 GLN HG3 H 1 2.5 0.01 . 2 . . . . 9 GLN HG3 . 15880 1 92 . 1 1 10 10 GLN CA C 13 58.5 0.2 . 1 . . . . 9 GLN CA . 15880 1 93 . 1 1 10 10 GLN CB C 13 27.9 0.2 . 1 . . . . 9 GLN CB . 15880 1 94 . 1 1 10 10 GLN N N 15 117.2 0.05 . 1 . . . . 9 GLN N . 15880 1 95 . 1 1 10 10 GLN NE2 N 15 111.2 0.01 . 1 . . . . 9 GLN NE2 . 15880 1 96 . 1 1 11 11 GLU H H 1 8.2 0.01 . 1 . . . . 10 GLU H . 15880 1 97 . 1 1 11 11 GLU HA H 1 4.21 0.01 . 1 . . . . 10 GLU HA . 15880 1 98 . 1 1 11 11 GLU HB2 H 1 2.27 0.01 . 2 . . . . 10 GLU HB2 . 15880 1 99 . 1 1 11 11 GLU HB3 H 1 2.27 0.01 . 2 . . . . 10 GLU HB3 . 15880 1 100 . 1 1 11 11 GLU HG2 H 1 2.41 0.01 . 2 . . . . 10 GLU HG2 . 15880 1 101 . 1 1 11 11 GLU HG3 H 1 2.41 0.01 . 2 . . . . 10 GLU HG3 . 15880 1 102 . 1 1 11 11 GLU CA C 13 58.7 0.2 . 1 . . . . 10 GLU CA . 15880 1 103 . 1 1 11 11 GLU CB C 13 29.6 0.2 . 1 . . . . 10 GLU CB . 15880 1 104 . 1 1 11 11 GLU N N 15 120.2 0.05 . 1 . . . . 11 GLU N . 15880 1 105 . 1 1 12 12 LEU HA H 1 3.91 0.01 . 1 . . . . 11 LEU HA . 15880 1 106 . 1 1 12 12 LEU HB2 H 1 1.96 0.01 . 2 . . . . 11 LEU HB2 . 15880 1 107 . 1 1 12 12 LEU HB3 H 1 1.45 0.01 . 2 . . . . 11 LEU HB3 . 15880 1 108 . 1 1 12 12 LEU HD11 H 1 0.72 0.01 . 2 . . . . 11 LEU HD1 . 15880 1 109 . 1 1 12 12 LEU HD12 H 1 0.72 0.01 . 2 . . . . 11 LEU HD1 . 15880 1 110 . 1 1 12 12 LEU HD13 H 1 0.72 0.01 . 2 . . . . 11 LEU HD1 . 15880 1 111 . 1 1 12 12 LEU HD21 H 1 0.48 0.01 . 2 . . . . 11 LEU HD2 . 15880 1 112 . 1 1 12 12 LEU HD22 H 1 0.48 0.01 . 2 . . . . 11 LEU HD2 . 15880 1 113 . 1 1 12 12 LEU HD23 H 1 0.48 0.01 . 2 . . . . 11 LEU HD2 . 15880 1 114 . 1 1 12 12 LEU HG H 1 1.38 0.01 . 1 . . . . 11 LEU HG . 15880 1 115 . 1 1 12 12 LEU CA C 13 58.9 0.2 . 1 . . . . 11 LEU CA . 15880 1 116 . 1 1 12 12 LEU CB C 13 40.9 0.2 . 1 . . . . 11 LEU CB . 15880 1 117 . 1 1 12 12 LEU N N 15 124.6 0.05 . 1 . . . . 11 LEU N . 15880 1 118 . 1 1 13 13 VAL H H 1 8.18 0.01 . 1 . . . . 12 VAL H . 15880 1 119 . 1 1 13 13 VAL HA H 1 3.5 0.01 . 1 . . . . 12 VAL HA . 15880 1 120 . 1 1 13 13 VAL HB H 1 2.27 0.01 . 1 . . . . 12 VAL HB . 15880 1 121 . 1 1 13 13 VAL CA C 13 67.3 0.2 . 1 . . . . 12 VAL CA . 15880 1 122 . 1 1 13 13 VAL CB C 13 31.5 0.2 . 1 . . . . 12 VAL CB . 15880 1 123 . 1 1 13 13 VAL N N 15 120.3 0.05 . 1 . . . . 12 VAL N . 15880 1 124 . 1 1 14 14 LYS H H 1 8.02 0.01 . 1 . . . . 13 LYS H . 15880 1 125 . 1 1 14 14 LYS HA H 1 4.08 0.01 . 1 . . . . 13 LYS HA . 15880 1 126 . 1 1 14 14 LYS HB2 H 1 2.05 0.01 . 2 . . . . 13 LYS HB2 . 15880 1 127 . 1 1 14 14 LYS HB3 H 1 2.05 0.01 . 2 . . . . 13 LYS HB3 . 15880 1 128 . 1 1 14 14 LYS HE2 H 1 2.92 0.01 . 2 . . . . 13 LYS HE2 . 15880 1 129 . 1 1 14 14 LYS HE3 H 1 2.83 0.01 . 2 . . . . 13 LYS HE3 . 15880 1 130 . 1 1 14 14 LYS HG2 H 1 1.3 0.01 . 2 . . . . 13 LYS HG2 . 15880 1 131 . 1 1 14 14 LYS HG3 H 1 1.3 0.01 . 2 . . . . 13 LYS HG3 . 15880 1 132 . 1 1 14 14 LYS CA C 13 59.2 0.2 . 1 . . . . 13 LYS CA . 15880 1 133 . 1 1 14 14 LYS CB C 13 31.5 0.2 . 1 . . . . 13 LYS CB . 15880 1 134 . 1 1 14 14 LYS N N 15 118.7 0.05 . 1 . . . . 13 LYS N . 15880 1 135 . 1 1 15 15 HIS H H 1 8.58 0.01 . 1 . . . . 14 HIS H . 15880 1 136 . 1 1 15 15 HIS HA H 1 4.12 0.01 . 1 . . . . 14 HIS HA . 15880 1 137 . 1 1 15 15 HIS HB2 H 1 3.22 0.01 . 1 . . . . 14 HIS HB2 . 15880 1 138 . 1 1 15 15 HIS HB3 H 1 3.02 0.01 . 1 . . . . 14 HIS HB3 . 15880 1 139 . 1 1 15 15 HIS HD2 H 1 6.67 0.05 . 1 . . . . 14 HIS HD2 . 15880 1 140 . 1 1 15 15 HIS HE1 H 1 7.95 0.05 . 1 . . . . 14 HIS HE1 . 15880 1 141 . 1 1 15 15 HIS CA C 13 61.9 0.2 . 1 . . . . 14 HIS CA . 15880 1 142 . 1 1 15 15 HIS CB C 13 32 0.2 . 1 . . . . 14 HIS CB . 15880 1 143 . 1 1 15 15 HIS N N 15 117.8 0.05 . 1 . . . . 14 HIS N . 15880 1 144 . 1 1 16 16 LYS H H 1 8.67 0.01 . 1 . . . . 15 LYS H . 15880 1 145 . 1 1 16 16 LYS HA H 1 4.22 0.01 . 1 . . . . 15 LYS HA . 15880 1 146 . 1 1 16 16 LYS HB2 H 1 1.94 0.01 . 2 . . . . 15 LYS HB2 . 15880 1 147 . 1 1 16 16 LYS HB3 H 1 1.94 0.01 . 2 . . . . 15 LYS HB3 . 15880 1 148 . 1 1 16 16 LYS HD2 H 1 1.69 0.01 . 2 . . . . 15 LYS HD2 . 15880 1 149 . 1 1 16 16 LYS HD3 H 1 1.69 0.01 . 2 . . . . 15 LYS HD3 . 15880 1 150 . 1 1 16 16 LYS HE2 H 1 2.92 0.01 . 2 . . . . 15 LYS HE2 . 15880 1 151 . 1 1 16 16 LYS HE3 H 1 2.76 0.01 . 2 . . . . 15 LYS HE3 . 15880 1 152 . 1 1 16 16 LYS HG2 H 1 1.51 0.01 . 2 . . . . 15 LYS HG2 . 15880 1 153 . 1 1 16 16 LYS HG3 H 1 1.51 0.01 . 2 . . . . 15 LYS HG3 . 15880 1 154 . 1 1 16 16 LYS N N 15 120.3 0.05 . 1 . . . . 15 LYS N . 15880 1 155 . 1 1 17 17 GLU H H 1 7.91 0.01 . 1 . . . . 16 GLU H . 15880 1 156 . 1 1 17 17 GLU HA H 1 4.16 0.01 . 1 . . . . 16 GLU HA . 15880 1 157 . 1 1 17 17 GLU HB2 H 1 2.08 0.01 . 2 . . . . 16 GLU HB2 . 15880 1 158 . 1 1 17 17 GLU HB3 H 1 1.96 0.01 . 2 . . . . 16 GLU HB3 . 15880 1 159 . 1 1 17 17 GLU N N 15 120 0.05 . 1 . . . . 16 GLU N . 15880 1 160 . 1 1 18 18 LEU H H 1 8.37 0.01 . 1 . . . . 17 LEU H . 15880 1 161 . 1 1 18 18 LEU HA H 1 4.67 0.01 . 1 . . . . 17 LEU HA . 15880 1 162 . 1 1 18 18 LEU HB2 H 1 1.96 0.01 . 2 . . . . 17 LEU HB2 . 15880 1 163 . 1 1 18 18 LEU HB3 H 1 1.96 0.01 . 2 . . . . 17 LEU HB3 . 15880 1 164 . 1 1 18 18 LEU HD11 H 1 0.82 0.01 . 2 . . . . 17 LEU HD1 . 15880 1 165 . 1 1 18 18 LEU HD12 H 1 0.82 0.01 . 2 . . . . 17 LEU HD1 . 15880 1 166 . 1 1 18 18 LEU HD13 H 1 0.82 0.01 . 2 . . . . 17 LEU HD1 . 15880 1 167 . 1 1 18 18 LEU HD21 H 1 0.82 0.01 . 2 . . . . 17 LEU HD2 . 15880 1 168 . 1 1 18 18 LEU HD22 H 1 0.82 0.01 . 2 . . . . 17 LEU HD2 . 15880 1 169 . 1 1 18 18 LEU HD23 H 1 0.82 0.01 . 2 . . . . 17 LEU HD2 . 15880 1 170 . 1 1 18 18 LEU HG H 1 1.06 0.01 . 1 . . . . 17 LEU HG . 15880 1 171 . 1 1 18 18 LEU CB C 13 37.3 0.2 . 1 . . . . 17 LEU CB . 15880 1 172 . 1 1 18 18 LEU N N 15 121.2 0.05 . 1 . . . . 17 LEU N . 15880 1 173 . 1 1 19 19 LEU H H 1 8.45 0.01 . 1 . . . . 18 LEU H . 15880 1 174 . 1 1 19 19 LEU HA H 1 3.88 0.01 . 1 . . . . 18 LEU HA . 15880 1 175 . 1 1 19 19 LEU HB2 H 1 1.58 0.01 . 4 . . . . 18 LEU HB2 . 15880 1 176 . 1 1 19 19 LEU HB3 H 1 1.56 0.01 . 4 . . . . 18 LEU HB3 . 15880 1 177 . 1 1 19 19 LEU HD11 H 1 0.84 0.01 . 2 . . . . 18 LEU HD1 . 15880 1 178 . 1 1 19 19 LEU HD12 H 1 0.84 0.01 . 2 . . . . 18 LEU HD1 . 15880 1 179 . 1 1 19 19 LEU HD13 H 1 0.84 0.01 . 2 . . . . 18 LEU HD1 . 15880 1 180 . 1 1 19 19 LEU HD21 H 1 0.82 0.01 . 2 . . . . 18 LEU HD2 . 15880 1 181 . 1 1 19 19 LEU HD22 H 1 0.82 0.01 . 2 . . . . 18 LEU HD2 . 15880 1 182 . 1 1 19 19 LEU HD23 H 1 0.82 0.01 . 2 . . . . 18 LEU HD2 . 15880 1 183 . 1 1 19 19 LEU HG H 1 1.54 0.01 . 4 . . . . 18 LEU HG . 15880 1 184 . 1 1 19 19 LEU N N 15 119.3 0.05 . 1 . . . . 18 LEU N . 15880 1 185 . 1 1 20 20 ARG H H 1 7.62 0.01 . 1 . . . . 19 ARG H . 15880 1 186 . 1 1 20 20 ARG HA H 1 4.24 0.01 . 1 . . . . 19 ARG HA . 15880 1 187 . 1 1 20 20 ARG HB2 H 1 2.07 0.01 . 2 . . . . 19 ARG HB2 . 15880 1 188 . 1 1 20 20 ARG HB3 H 1 1.95 0.01 . 2 . . . . 19 ARG HB3 . 15880 1 189 . 1 1 20 20 ARG HD2 H 1 3.32 0.01 . 2 . . . . 19 ARG HD2 . 15880 1 190 . 1 1 20 20 ARG HD3 H 1 3.3 0.01 . 2 . . . . 19 ARG HD3 . 15880 1 191 . 1 1 20 20 ARG HG2 H 1 1.8 0.01 . 2 . . . . 19 ARG HG2 . 15880 1 192 . 1 1 20 20 ARG HG3 H 1 1.8 0.01 . 2 . . . . 19 ARG HG3 . 15880 1 193 . 1 1 20 20 ARG CA C 13 59.3 0.2 . 1 . . . . 19 ARG CA . 15880 1 194 . 1 1 20 20 ARG CB C 13 29.8 0.2 . 1 . . . . 19 ARG CB . 15880 1 195 . 1 1 20 20 ARG N N 15 117.9 0.05 . 1 . . . . 19 ARG N . 15880 1 196 . 1 1 21 21 ARG H H 1 8 0.01 . 1 . . . . 20 ARG H . 15880 1 197 . 1 1 21 21 ARG HA H 1 4.12 0.01 . 1 . . . . 20 ARG HA . 15880 1 198 . 1 1 21 21 ARG HB2 H 1 2.08 0.01 . 2 . . . . 20 ARG HB2 . 15880 1 199 . 1 1 21 21 ARG HB3 H 1 1.95 0.01 . 2 . . . . 20 ARG HB3 . 15880 1 200 . 1 1 21 21 ARG HD2 H 1 3.21 0.01 . 2 . . . . 20 ARG HD2 . 15880 1 201 . 1 1 21 21 ARG HD3 H 1 3.21 0.01 . 2 . . . . 20 ARG HD3 . 15880 1 202 . 1 1 21 21 ARG HG2 H 1 1.87 0.01 . 2 . . . . 20 ARG HG2 . 15880 1 203 . 1 1 21 21 ARG HG3 H 1 1.87 0.01 . 2 . . . . 20 ARG HG3 . 15880 1 204 . 1 1 21 21 ARG CA C 13 59.2 0.2 . 1 . . . . 20 ARG CA . 15880 1 205 . 1 1 21 21 ARG CB C 13 29.4 0.2 . 1 . . . . 20 ARG CB . 15880 1 206 . 1 1 21 21 ARG N N 15 118.3 0.05 . 1 . . . . 20 ARG N . 15880 1 207 . 1 1 22 22 LYS H H 1 8.6 0.01 . 1 . . . . 21 LYS H . 15880 1 208 . 1 1 22 22 LYS HA H 1 4.21 0.01 . 1 . . . . 21 LYS HA . 15880 1 209 . 1 1 22 22 LYS HB2 H 1 1.86 0.01 . 2 . . . . 21 LYS HB2 . 15880 1 210 . 1 1 22 22 LYS HB3 H 1 1.86 0.01 . 2 . . . . 21 LYS HB3 . 15880 1 211 . 1 1 22 22 LYS HD2 H 1 1.68 0.01 . 4 . . . . 21 LYS HD2 . 15880 1 212 . 1 1 22 22 LYS HD3 H 1 1.68 0.01 . 4 . . . . 21 LYS HD3 . 15880 1 213 . 1 1 22 22 LYS HE2 H 1 2.98 0.01 . 2 . . . . 21 LYS HE2 . 15880 1 214 . 1 1 22 22 LYS HE3 H 1 2.98 0.01 . 2 . . . . 21 LYS HE3 . 15880 1 215 . 1 1 22 22 LYS HG2 H 1 1.42 0.01 . 4 . . . . 21 LYS HG2 . 15880 1 216 . 1 1 22 22 LYS HG3 H 1 1.42 0.01 . 4 . . . . 21 LYS HG3 . 15880 1 217 . 1 1 22 22 LYS CA C 13 59 0.2 . 1 . . . . 21 LYS CA . 15880 1 218 . 1 1 22 22 LYS CB C 13 29.4 0.2 . 1 . . . . 21 LYS CB . 15880 1 219 . 1 1 22 22 LYS N N 15 120.9 0.05 . 1 . . . . 21 LYS N . 15880 1 220 . 1 1 23 23 ASP H H 1 8.56 0.01 . 1 . . . . 22 ASP H . 15880 1 221 . 1 1 23 23 ASP HA H 1 4.65 0.01 . 1 . . . . 22 ASP HA . 15880 1 222 . 1 1 23 23 ASP HB2 H 1 2.71 0.01 . 2 . . . . 22 ASP HB2 . 15880 1 223 . 1 1 23 23 ASP HB3 H 1 2.65 0.01 . 2 . . . . 22 ASP HB3 . 15880 1 224 . 1 1 23 23 ASP CA C 13 57.3 0.2 . 1 . . . . 22 ASP CA . 15880 1 225 . 1 1 23 23 ASP CB C 13 40.2 0.2 . 1 . . . . 22 ASP CB . 15880 1 226 . 1 1 23 23 ASP N N 15 119.5 0.05 . 1 . . . . 22 ASP N . 15880 1 227 . 1 1 24 24 THR H H 1 8.24 0.01 . 1 . . . . 23 THR H . 15880 1 228 . 1 1 24 24 THR HA H 1 4.38 0.01 . 1 . . . . 23 THR HA . 15880 1 229 . 1 1 24 24 THR HB H 1 3.88 0.01 . 1 . . . . 23 THR HB . 15880 1 230 . 1 1 24 24 THR HG21 H 1 1.32 0.01 . 1 . . . . 23 THR HG2 . 15880 1 231 . 1 1 24 24 THR HG22 H 1 1.32 0.01 . 1 . . . . 23 THR HG2 . 15880 1 232 . 1 1 24 24 THR HG23 H 1 1.32 0.01 . 1 . . . . 23 THR HG2 . 15880 1 233 . 1 1 24 24 THR CA C 13 66.6 0.2 . 1 . . . . 23 THR CA . 15880 1 234 . 1 1 24 24 THR CB C 13 68.4 0.2 . 1 . . . . 23 THR CB . 15880 1 235 . 1 1 24 24 THR N N 15 117.8 0.05 . 1 . . . . 23 THR N . 15880 1 236 . 1 1 25 25 HIS H H 1 7.97 0.01 . 1 . . . . 24 HIS H . 15880 1 237 . 1 1 25 25 HIS HA H 1 4.6 0.01 . 1 . . . . 24 HIS HA . 15880 1 238 . 1 1 25 25 HIS HB2 H 1 3.09 0.01 . 2 . . . . 24 HIS HB2 . 15880 1 239 . 1 1 25 25 HIS HB3 H 1 2.81 0.01 . 2 . . . . 24 HIS HB3 . 15880 1 240 . 1 1 25 25 HIS HD2 H 1 6.96 0.01 . 1 . . . . 24 HIS HD2 . 15880 1 241 . 1 1 25 25 HIS CA C 13 57 0.2 . 1 . . . . 24 HIS CA . 15880 1 242 . 1 1 25 25 HIS CB C 13 32 0.2 . 1 . . . . 24 HIS CB . 15880 1 243 . 1 1 25 25 HIS N N 15 122.1 0.05 . 1 . . . . 24 HIS N . 15880 1 244 . 1 1 26 26 ILE H H 1 8.76 0.01 . 1 . . . . 25 ILE H . 15880 1 245 . 1 1 26 26 ILE HA H 1 4.02 0.01 . 1 . . . . 25 ILE HA . 15880 1 246 . 1 1 26 26 ILE HB H 1 1.78 0.01 . 1 . . . . 25 ILE HB . 15880 1 247 . 1 1 26 26 ILE HG12 H 1 1.42 0.01 . 2 . . . . 25 ILE HG12 . 15880 1 248 . 1 1 26 26 ILE HG13 H 1 1.1 0.01 . 2 . . . . 25 ILE HG13 . 15880 1 249 . 1 1 26 26 ILE HG21 H 1 0.86 0.01 . 1 . . . . 25 ILE HG2 . 15880 1 250 . 1 1 26 26 ILE HG22 H 1 0.86 0.01 . 1 . . . . 25 ILE HG2 . 15880 1 251 . 1 1 26 26 ILE HG23 H 1 0.86 0.01 . 1 . . . . 25 ILE HG2 . 15880 1 252 . 1 1 26 26 ILE CA C 13 61.3 0.2 . 1 . . . . 25 ILE CA . 15880 1 253 . 1 1 26 26 ILE CB C 13 37.9 0.2 . 1 . . . . 25 ILE CB . 15880 1 254 . 1 1 26 26 ILE N N 15 119.1 0.05 . 1 . . . . 25 ILE N . 15880 1 255 . 1 1 27 27 ARG H H 1 7.82 0.01 . 1 . . . . 26 ARG H . 15880 1 256 . 1 1 27 27 ARG HA H 1 4.21 0.01 . 1 . . . . 26 ARG HA . 15880 1 257 . 1 1 27 27 ARG HB2 H 1 2.05 0.01 . 2 . . . . 26 ARG HB2 . 15880 1 258 . 1 1 27 27 ARG HB3 H 1 1.81 0.01 . 2 . . . . 26 ARG HB3 . 15880 1 259 . 1 1 27 27 ARG HD2 H 1 3.3 0.01 . 2 . . . . 26 ARG HD2 . 15880 1 260 . 1 1 27 27 ARG HD3 H 1 3.23 0.01 . 2 . . . . 26 ARG HD3 . 15880 1 261 . 1 1 27 27 ARG HG2 H 1 1.77 0.01 . 1 . . . . 26 ARG HG2 . 15880 1 262 . 1 1 27 27 ARG HG3 H 1 1.67 0.01 . 2 . . . . 26 ARG HG3 . 15880 1 263 . 1 1 27 27 ARG CA C 13 58.7 0.2 . 1 . . . . 26 ARG CA . 15880 1 264 . 1 1 27 27 ARG CB C 13 29.4 0.2 . 1 . . . . 26 ARG CB . 15880 1 265 . 1 1 27 27 ARG N N 15 118.3 0.05 . 1 . . . . 26 ARG N . 15880 1 266 . 1 1 28 28 GLU H H 1 8.02 0.01 . 1 . . . . 27 GLU H . 15880 1 267 . 1 1 28 28 GLU HA H 1 4.14 0.01 . 1 . . . . 27 GLU HA . 15880 1 268 . 1 1 28 28 GLU HB2 H 1 2.42 0.01 . 2 . . . . 27 GLU HB2 . 15880 1 269 . 1 1 28 28 GLU HB3 H 1 2.42 0.01 . 2 . . . . 27 GLU HB3 . 15880 1 270 . 1 1 28 28 GLU HG2 H 1 2.61 0.01 . 2 . . . . 27 GLU HG2 . 15880 1 271 . 1 1 28 28 GLU HG3 H 1 2.61 0.01 . 2 . . . . 27 GLU HG3 . 15880 1 272 . 1 1 28 28 GLU CA C 13 60.5 0.2 . 1 . . . . 27 GLU CA . 15880 1 273 . 1 1 28 28 GLU N N 15 118.6 0.05 . 1 . . . . 27 GLU N . 15880 1 274 . 1 1 29 29 LEU H H 1 8.37 0.01 . 1 . . . . 28 LEU H . 15880 1 275 . 1 1 29 29 LEU HA H 1 4.25 0.01 . 1 . . . . 28 LEU HA . 15880 1 276 . 1 1 29 29 LEU HB2 H 1 1.55 0.01 . 4 . . . . 28 LEU HB2 . 15880 1 277 . 1 1 29 29 LEU HB3 H 1 1.55 0.01 . 4 . . . . 28 LEU HB3 . 15880 1 278 . 1 1 29 29 LEU HD11 H 1 0.72 0.01 . 1 . . . . 28 LEU HD1 . 15880 1 279 . 1 1 29 29 LEU HD12 H 1 0.72 0.01 . 1 . . . . 28 LEU HD1 . 15880 1 280 . 1 1 29 29 LEU HD13 H 1 0.72 0.01 . 1 . . . . 28 LEU HD1 . 15880 1 281 . 1 1 29 29 LEU HD21 H 1 0.66 0.01 . 1 . . . . 28 LEU HD2 . 15880 1 282 . 1 1 29 29 LEU HD22 H 1 0.66 0.01 . 1 . . . . 28 LEU HD2 . 15880 1 283 . 1 1 29 29 LEU HD23 H 1 0.66 0.01 . 1 . . . . 28 LEU HD2 . 15880 1 284 . 1 1 29 29 LEU HG H 1 1.5 0.01 . 4 . . . . 28 LEU HG . 15880 1 285 . 1 1 29 29 LEU N N 15 121.2 0.05 . 1 . . . . 28 LEU N . 15880 1 286 . 1 1 30 30 GLU H H 1 8.91 0.01 . 1 . . . . 29 GLU H . 15880 1 287 . 1 1 30 30 GLU HA H 1 4.18 0.01 . 1 . . . . 29 GLU HA . 15880 1 288 . 1 1 30 30 GLU HB2 H 1 2.06 0.01 . 2 . . . . 29 GLU HB2 . 15880 1 289 . 1 1 30 30 GLU HB3 H 1 1.97 0.01 . 2 . . . . 29 GLU HB3 . 15880 1 290 . 1 1 30 30 GLU CA C 13 60.1 0.2 . 1 . . . . 29 GLU CA . 15880 1 291 . 1 1 30 30 GLU CB C 13 29.2 0.2 . 1 . . . . 29 GLU CB . 15880 1 292 . 1 1 30 30 GLU N N 15 119 0.05 . 1 . . . . 29 GLU N . 15880 1 293 . 1 1 31 31 ASP H H 1 8.58 0.01 . 1 . . . . 30 ASP H . 15880 1 294 . 1 1 31 31 ASP HA H 1 4.42 0.01 . 1 . . . . 30 ASP HA . 15880 1 295 . 1 1 31 31 ASP HB2 H 1 2.9 0.01 . 2 . . . . 30 ASP HB2 . 15880 1 296 . 1 1 31 31 ASP HB3 H 1 2.7 0.01 . 2 . . . . 30 ASP HB3 . 15880 1 297 . 1 1 31 31 ASP CA C 13 57 0.2 . 1 . . . . 30 ASP CA . 15880 1 298 . 1 1 31 31 ASP N N 15 119.4 0.05 . 1 . . . . 30 ASP N . 15880 1 299 . 1 1 32 32 TYR H H 1 8.1 0.01 . 1 . . . . 31 TYR H . 15880 1 300 . 1 1 32 32 TYR HA H 1 4.52 0.01 . 1 . . . . 31 TYR HA . 15880 1 301 . 1 1 32 32 TYR HB2 H 1 3 0.01 . 2 . . . . 31 TYR HB2 . 15880 1 302 . 1 1 32 32 TYR HB3 H 1 3 0.01 . 2 . . . . 31 TYR HB3 . 15880 1 303 . 1 1 32 32 TYR HD1 H 1 7.08 0.01 . 3 . . . . 31 TYR HD1 . 15880 1 304 . 1 1 32 32 TYR HD2 H 1 7.08 0.01 . 3 . . . . 31 TYR HD2 . 15880 1 305 . 1 1 32 32 TYR HE1 H 1 6.8 0.01 . 3 . . . . 31 TYR HE1 . 15880 1 306 . 1 1 32 32 TYR HE2 H 1 6.8 0.01 . 3 . . . . 31 TYR HE2 . 15880 1 307 . 1 1 32 32 TYR CA C 13 58.2 0.2 . 1 . . . . 31 TYR CA . 15880 1 308 . 1 1 32 32 TYR N N 15 122.1 0.05 . 1 . . . . 31 TYR N . 15880 1 309 . 1 1 33 33 ILE HA H 1 4.07 0.01 . 1 . . . . 32 ILE HA . 15880 1 310 . 1 1 33 33 ILE HB H 1 1.82 0.01 . 1 . . . . 32 ILE HB . 15880 1 311 . 1 1 33 33 ILE HG12 H 1 1.28 0.01 . 2 . . . . 32 ILE HG12 . 15880 1 312 . 1 1 33 33 ILE HG13 H 1 1.28 0.01 . 2 . . . . 32 ILE HG13 . 15880 1 313 . 1 1 33 33 ILE HG21 H 1 0.86 0.01 . 1 . . . . 32 ILE HG2 . 15880 1 314 . 1 1 33 33 ILE HG22 H 1 0.86 0.01 . 1 . . . . 32 ILE HG2 . 15880 1 315 . 1 1 33 33 ILE HG23 H 1 0.86 0.01 . 1 . . . . 32 ILE HG2 . 15880 1 316 . 1 1 33 33 ILE CA C 13 58.2 0.2 . 1 . . . . 32 ILE CA . 15880 1 317 . 1 1 34 34 ASP H H 1 8.13 0.01 . 1 . . . . 33 ASP H . 15880 1 318 . 1 1 34 34 ASP HA H 1 4.38 0.01 . 1 . . . . 33 ASP HA . 15880 1 319 . 1 1 34 34 ASP HB2 H 1 2.85 0.01 . 2 . . . . 33 ASP HB2 . 15880 1 320 . 1 1 34 34 ASP HB3 H 1 2.65 0.01 . 2 . . . . 33 ASP HB3 . 15880 1 321 . 1 1 34 34 ASP CA C 13 57.3 0.2 . 1 . . . . 33 ASP CA . 15880 1 322 . 1 1 34 34 ASP CB C 13 40.6 0.2 . 1 . . . . 33 ASP CB . 15880 1 323 . 1 1 34 34 ASP N N 15 118.1 0.05 . 1 . . . . 33 ASP N . 15880 1 324 . 1 1 35 35 ASN H H 1 7.79 0.01 . 1 . . . . 34 ASN H . 15880 1 325 . 1 1 35 35 ASN HA H 1 4.52 0.01 . 1 . . . . 34 ASN HA . 15880 1 326 . 1 1 35 35 ASN HB2 H 1 2.92 0.01 . 2 . . . . 34 ASN HB2 . 15880 1 327 . 1 1 35 35 ASN HB3 H 1 2.8 0.01 . 2 . . . . 34 ASN HB3 . 15880 1 328 . 1 1 35 35 ASN HD21 H 1 7 0.01 . 2 . . . . 34 ASN HD21 . 15880 1 329 . 1 1 35 35 ASN HD22 H 1 7.58 0.01 . 2 . . . . 34 ASN HD22 . 15880 1 330 . 1 1 35 35 ASN CA C 13 55.3 0.2 . 1 . . . . 34 ASN CA . 15880 1 331 . 1 1 35 35 ASN CB C 13 39.8 0.2 . 1 . . . . 34 ASN CB . 15880 1 332 . 1 1 35 35 ASN N N 15 115.6 0.05 . 1 . . . . 34 ASN N . 15880 1 333 . 1 1 36 36 LEU HA H 1 3.75 0.01 . 1 . . . . 35 LEU HA . 15880 1 334 . 1 1 36 36 LEU HB2 H 1 1.68 0.01 . 4 . . . . 35 LEU HB2 . 15880 1 335 . 1 1 36 36 LEU HB3 H 1 1.68 0.01 . 4 . . . . 35 LEU HB3 . 15880 1 336 . 1 1 36 36 LEU HD11 H 1 0.95 0.01 . 2 . . . . 35 LEU HD1 . 15880 1 337 . 1 1 36 36 LEU HD12 H 1 0.95 0.01 . 2 . . . . 35 LEU HD1 . 15880 1 338 . 1 1 36 36 LEU HD13 H 1 0.95 0.01 . 2 . . . . 35 LEU HD1 . 15880 1 339 . 1 1 36 36 LEU HD21 H 1 0.95 0.01 . 2 . . . . 35 LEU HD2 . 15880 1 340 . 1 1 36 36 LEU HD22 H 1 0.95 0.01 . 2 . . . . 35 LEU HD2 . 15880 1 341 . 1 1 36 36 LEU HD23 H 1 0.95 0.01 . 2 . . . . 35 LEU HD2 . 15880 1 342 . 1 1 36 36 LEU HG H 1 1.57 0.01 . 4 . . . . 35 LEU HG . 15880 1 343 . 1 1 36 36 LEU CA C 13 56.3 0.2 . 1 . . . . 35 LEU CA . 15880 1 344 . 1 1 37 37 LEU HA H 1 4.28 0.01 . 1 . . . . 36 LEU HA . 15880 1 345 . 1 1 37 37 LEU HB2 H 1 1.6 0.01 . 4 . . . . 36 LEU HB2 . 15880 1 346 . 1 1 37 37 LEU HB3 H 1 1.6 0.01 . 4 . . . . 36 LEU HB3 . 15880 1 347 . 1 1 37 37 LEU HD11 H 1 0.92 0.01 . 2 . . . . 36 LEU HD1 . 15880 1 348 . 1 1 37 37 LEU HD12 H 1 0.92 0.01 . 2 . . . . 36 LEU HD1 . 15880 1 349 . 1 1 37 37 LEU HD13 H 1 0.92 0.01 . 2 . . . . 36 LEU HD1 . 15880 1 350 . 1 1 37 37 LEU HD21 H 1 0.86 0.01 . 2 . . . . 36 LEU HD2 . 15880 1 351 . 1 1 37 37 LEU HD22 H 1 0.86 0.01 . 2 . . . . 36 LEU HD2 . 15880 1 352 . 1 1 37 37 LEU HD23 H 1 0.86 0.01 . 2 . . . . 36 LEU HD2 . 15880 1 353 . 1 1 37 37 LEU HG H 1 1.6 0.01 . 4 . . . . 36 LEU HG . 15880 1 354 . 1 1 37 37 LEU CA C 13 55.8 0.2 . 1 . . . . 36 LEU CA . 15880 1 355 . 1 1 37 37 LEU CB C 13 42.3 0.2 . 1 . . . . 36 LEU CB . 15880 1 356 . 1 1 38 38 VAL H H 1 7.5 0.1 . 1 . . . . 37 VAL H . 15880 1 357 . 1 1 38 38 VAL HA H 1 4.07 0.1 . 1 . . . . 37 VAL HA . 15880 1 358 . 1 1 38 38 VAL HB H 1 2.05 0.1 . 1 . . . . 37 VAL HB . 15880 1 359 . 1 1 38 38 VAL HG11 H 1 0.95 0.1 . 2 . . . . 37 VAL HG1 . 15880 1 360 . 1 1 38 38 VAL HG12 H 1 0.95 0.1 . 2 . . . . 37 VAL HG1 . 15880 1 361 . 1 1 38 38 VAL HG13 H 1 0.95 0.1 . 2 . . . . 37 VAL HG1 . 15880 1 362 . 1 1 38 38 VAL HG21 H 1 1.01 0.1 . 2 . . . . 37 VAL HG2 . 15880 1 363 . 1 1 38 38 VAL HG22 H 1 1.01 0.1 . 2 . . . . 37 VAL HG2 . 15880 1 364 . 1 1 38 38 VAL HG23 H 1 1.01 0.1 . 2 . . . . 37 VAL HG2 . 15880 1 365 . 1 1 38 38 VAL CA C 13 62.8 0.2 . 1 . . . . 37 VAL CA . 15880 1 366 . 1 1 38 38 VAL CB C 13 33.6 0.2 . 1 . . . . 37 VAL CB . 15880 1 367 . 1 1 38 38 VAL N N 15 115.9 0.05 . 1 . . . . 37 VAL N . 15880 1 368 . 1 1 39 39 ARG H H 1 7.92 0.01 . 1 . . . . 38 ARG H . 15880 1 369 . 1 1 39 39 ARG HA H 1 4.36 0.01 . 1 . . . . 38 ARG HA . 15880 1 370 . 1 1 39 39 ARG HB2 H 1 1.86 0.01 . 2 . . . . 38 ARG HB2 . 15880 1 371 . 1 1 39 39 ARG HB3 H 1 1.86 0.01 . 2 . . . . 38 ARG HB3 . 15880 1 372 . 1 1 39 39 ARG HD2 H 1 3.21 0.01 . 2 . . . . 38 ARG HD2 . 15880 1 373 . 1 1 39 39 ARG HD3 H 1 3.21 0.01 . 2 . . . . 38 ARG HD3 . 15880 1 374 . 1 1 39 39 ARG HG2 H 1 1.75 0.01 . 2 . . . . 38 ARG HG2 . 15880 1 375 . 1 1 39 39 ARG HG3 H 1 1.63 0.01 . 2 . . . . 38 ARG HG3 . 15880 1 376 . 1 1 39 39 ARG CA C 13 60.5 0.2 . 1 . . . . 38 ARG CA . 15880 1 377 . 1 1 39 39 ARG N N 15 121.3 0.05 . 1 . . . . 38 ARG N . 15880 1 378 . 1 1 40 40 VAL H H 1 8 0.01 . 1 . . . . 39 VAL H . 15880 1 379 . 1 1 40 40 VAL HA H 1 4.18 0.01 . 1 . . . . 39 VAL HA . 15880 1 380 . 1 1 40 40 VAL HB H 1 2.16 0.01 . 1 . . . . 39 VAL HB . 15880 1 381 . 1 1 40 40 VAL HG11 H 1 0.94 0.01 . 2 . . . . 39 VAL HG1 . 15880 1 382 . 1 1 40 40 VAL HG12 H 1 0.94 0.01 . 2 . . . . 39 VAL HG1 . 15880 1 383 . 1 1 40 40 VAL HG13 H 1 0.94 0.01 . 2 . . . . 39 VAL HG1 . 15880 1 384 . 1 1 40 40 VAL HG21 H 1 0.94 0.01 . 2 . . . . 39 VAL HG2 . 15880 1 385 . 1 1 40 40 VAL HG22 H 1 0.94 0.01 . 2 . . . . 39 VAL HG2 . 15880 1 386 . 1 1 40 40 VAL HG23 H 1 0.94 0.01 . 2 . . . . 39 VAL HG2 . 15880 1 387 . 1 1 40 40 VAL CA C 13 62.6 0.2 . 1 . . . . 39 VAL CA . 15880 1 388 . 1 1 40 40 VAL CB C 13 32.6 0.2 . 1 . . . . 39 VAL CB . 15880 1 389 . 1 1 40 40 VAL N N 15 119 0.05 . 1 . . . . 39 VAL N . 15880 1 390 . 1 1 41 41 MET H H 1 7.99 0.01 . 1 . . . . 40 MET H . 15880 1 391 . 1 1 41 41 MET HA H 1 4.55 0.01 . 1 . . . . 40 MET HA . 15880 1 392 . 1 1 41 41 MET HB2 H 1 2.55 0.01 . 4 . . . . 40 MET HB2 . 15880 1 393 . 1 1 41 41 MET HB3 H 1 2.55 0.01 . 4 . . . . 40 MET HB3 . 15880 1 394 . 1 1 41 41 MET HE1 H 1 2.08 0.01 . 1 . . . . 40 MET HE . 15880 1 395 . 1 1 41 41 MET HE2 H 1 2.08 0.01 . 1 . . . . 40 MET HE . 15880 1 396 . 1 1 41 41 MET HE3 H 1 2.08 0.01 . 1 . . . . 40 MET HE . 15880 1 397 . 1 1 41 41 MET HG2 H 1 2.61 0.01 . 4 . . . . 40 MET HG2 . 15880 1 398 . 1 1 41 41 MET HG3 H 1 2.61 0.01 . 4 . . . . 40 MET HG3 . 15880 1 399 . 1 1 41 41 MET CA C 13 56.9 0.2 . 1 . . . . 40 MET CA . 15880 1 400 . 1 1 41 41 MET CB C 13 33.7 0.2 . 1 . . . . 40 MET CB . 15880 1 401 . 1 1 41 41 MET N N 15 128.4 0.05 . 1 . . . . 40 MET N . 15880 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 175 15880 1 1 176 15880 1 1 183 15880 1 2 211 15880 1 2 212 15880 1 2 215 15880 1 2 216 15880 1 3 276 15880 1 3 277 15880 1 3 284 15880 1 4 334 15880 1 4 335 15880 1 4 342 15880 1 5 345 15880 1 5 346 15880 1 5 353 15880 1 6 392 15880 1 6 393 15880 1 6 397 15880 1 6 398 15880 1 stop_ save_