data_26716 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26716 _Entry.Title ; Backbone HN, 15N, 13Ca shifts for GB1 in 0%, 10%, 25%, 50% ionic liquid [C4-mim]Br, and KBr ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-12-07 _Entry.Accession_date 2015-12-07 _Entry.Last_release_date 2015-12-08 _Entry.Original_release_date 2015-12-08 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _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.ORCID _Entry_author.Entry_ID 1 Lisa Warner . . . . 26716 2 Krisztina Varga . . . . 26716 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 5 26716 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 280 26716 '15N chemical shifts' 294 26716 '1H chemical shifts' 309 26716 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 . . 2017-08-11 . original BMRB . 26716 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18397 'nanocrystalline GB1 1H, 13C, 15N assignments' 26716 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26716 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1016/j.bbrep.2016.08.009 _Citation.PubMed_ID 28717785 _Citation.Full_citation . _Citation.Title ; The effects of high concentrations of ionic liquid on GB1 protein structure and dynamics probed by high-resolution magic-angle-spinning NMR spectroscopy ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. Biophys. Rep.' _Citation.Journal_name_full 'Biochemistry and biophysics reports' _Citation.Journal_volume 8 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 2405-5808 _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 75 _Citation.Page_last 80 _Citation.Year 2016 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Lisa Warner L. . . . 26716 1 2 Erica Gjersing E. . . . 26716 1 3 Shelby Follett S. E. . . 26716 1 4 'K Wade' Elliott K. W. . . 26716 1 5 Sergei Dzyuba S. V. . . 26716 1 6 Krisztina Varga K. . . . 26716 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID GB1 26716 1 HRMAS 26716 1 [C4-mim]Br 26716 1 'ionic liquid' 26716 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26716 _Assembly.ID 1 _Assembly.Name GB1 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 GB1 1 $GB1 A . yes native no no . . . 26716 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_GB1 _Entity.Sf_category entity _Entity.Sf_framecode GB1 _Entity.Entry_ID 26716 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name GB1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(D) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MQYKLILNGKTLKGETTTEA VDAATAEKVFKQYANDNGVD GEWTYDDATKTFTVTE ; _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 56 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . MET . 26716 1 2 . GLN . 26716 1 3 . TYR . 26716 1 4 . LYS . 26716 1 5 . LEU . 26716 1 6 . ILE . 26716 1 7 . LEU . 26716 1 8 . ASN . 26716 1 9 . GLY . 26716 1 10 . LYS . 26716 1 11 . THR . 26716 1 12 . LEU . 26716 1 13 . LYS . 26716 1 14 . GLY . 26716 1 15 . GLU . 26716 1 16 . THR . 26716 1 17 . THR . 26716 1 18 . THR . 26716 1 19 . GLU . 26716 1 20 . ALA . 26716 1 21 . VAL . 26716 1 22 . ASP . 26716 1 23 . ALA . 26716 1 24 . ALA . 26716 1 25 . THR . 26716 1 26 . ALA . 26716 1 27 . GLU . 26716 1 28 . LYS . 26716 1 29 . VAL . 26716 1 30 . PHE . 26716 1 31 . LYS . 26716 1 32 . GLN . 26716 1 33 . TYR . 26716 1 34 . ALA . 26716 1 35 . ASN . 26716 1 36 . ASP . 26716 1 37 . ASN . 26716 1 38 . GLY . 26716 1 39 . VAL . 26716 1 40 . ASP . 26716 1 41 . GLY . 26716 1 42 . GLU . 26716 1 43 . TRP . 26716 1 44 . THR . 26716 1 45 . TYR . 26716 1 46 . ASP . 26716 1 47 . ASP . 26716 1 48 . ALA . 26716 1 49 . THR . 26716 1 50 . LYS . 26716 1 51 . THR . 26716 1 52 . PHE . 26716 1 53 . THR . 26716 1 54 . VAL . 26716 1 55 . THR . 26716 1 56 . GLU . 26716 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 . MET 1 1 26716 1 . GLN 2 2 26716 1 . TYR 3 3 26716 1 . LYS 4 4 26716 1 . LEU 5 5 26716 1 . ILE 6 6 26716 1 . LEU 7 7 26716 1 . ASN 8 8 26716 1 . GLY 9 9 26716 1 . LYS 10 10 26716 1 . THR 11 11 26716 1 . LEU 12 12 26716 1 . LYS 13 13 26716 1 . GLY 14 14 26716 1 . GLU 15 15 26716 1 . THR 16 16 26716 1 . THR 17 17 26716 1 . THR 18 18 26716 1 . GLU 19 19 26716 1 . ALA 20 20 26716 1 . VAL 21 21 26716 1 . ASP 22 22 26716 1 . ALA 23 23 26716 1 . ALA 24 24 26716 1 . THR 25 25 26716 1 . ALA 26 26 26716 1 . GLU 27 27 26716 1 . LYS 28 28 26716 1 . VAL 29 29 26716 1 . PHE 30 30 26716 1 . LYS 31 31 26716 1 . GLN 32 32 26716 1 . TYR 33 33 26716 1 . ALA 34 34 26716 1 . ASN 35 35 26716 1 . ASP 36 36 26716 1 . ASN 37 37 26716 1 . GLY 38 38 26716 1 . VAL 39 39 26716 1 . ASP 40 40 26716 1 . GLY 41 41 26716 1 . GLU 42 42 26716 1 . TRP 43 43 26716 1 . THR 44 44 26716 1 . TYR 45 45 26716 1 . ASP 46 46 26716 1 . ASP 47 47 26716 1 . ALA 48 48 26716 1 . THR 49 49 26716 1 . LYS 50 50 26716 1 . THR 51 51 26716 1 . PHE 52 52 26716 1 . THR 53 53 26716 1 . VAL 54 54 26716 1 . THR 55 55 26716 1 . GLU 56 56 26716 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 26716 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $GB1 . 1301 organism . 'Streptococcal bacteria' 'Streptococcal bacteria' . . Bacteria . Streptococcal bacteria . . . . . . . . . . . . . 26716 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 26716 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $GB1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . NA . . . 26716 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_0%_IL _Sample.Sf_category sample _Sample.Sf_framecode 0%_IL _Sample.Entry_ID 26716 _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 GB1 '[U-100% 13C; U-100% 15N]' . . 1 $GB1 . . 1.3 . . mM . . . . 26716 1 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 26716 1 3 D2O [U-2H] . . . . . . 20 . . % . . . . 26716 1 stop_ save_ save_10%_IL _Sample.Sf_category sample _Sample.Sf_framecode 10%_IL _Sample.Entry_ID 26716 _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 GB1 '[U-100% 13C; U-100% 15N]' . . 1 $GB1 . . 1.3 . . mM . . . . 26716 2 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 26716 2 3 D2O [U-2H] . . . . . . 20 . . % . . . . 26716 2 4 '[C4-mim] Br' 'natural abundance' . . . . . . 10 . . % . . . . 26716 2 stop_ save_ save_25%_IL _Sample.Sf_category sample _Sample.Sf_framecode 25%_IL _Sample.Entry_ID 26716 _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 GB1 '[U-100% 13C; U-100% 15N]' . . 1 $GB1 . . 1.3 . . mM . . . . 26716 3 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 26716 3 3 D2O [U-2H] . . . . . . 20 . . % . . . . 26716 3 4 '[C4-mim] Br' 'natural abundance' . . . . . . 25 . . % . . . . 26716 3 stop_ save_ save_50%_IL _Sample.Sf_category sample _Sample.Sf_framecode 50%_IL _Sample.Entry_ID 26716 _Sample.ID 4 _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 GB1 '[U-100% 13C; U-100% 15N]' . . 1 $GB1 . . 1.3 . . mM . . . . 26716 4 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 26716 4 3 D2O [U-2H] . . . . . . 20 . . % . . . . 26716 4 4 '[C4-mim] Br' 'natural abundance' . . . . . . 50 . . % . . . . 26716 4 stop_ save_ save_KBr _Sample.Sf_category sample _Sample.Sf_framecode KBr _Sample.Entry_ID 26716 _Sample.ID 5 _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 GB1 '[U-100% 13C; U-100% 15N]' . . 1 $GB1 . . 1.3 . . mM . . . . 26716 5 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 26716 5 3 D2O [U-2H] . . . . . . 20 . . % . . . . 26716 5 4 KBr 'natural abundance' . . . . . . 2.9 . . M . . . . 26716 5 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 26716 _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' 50 . mM 26716 1 pH 5.5 . pH 26716 1 pressure 1 . atm 26716 1 temperature 273 . K 26716 1 stop_ save_ ############################ # Computer software used # ############################ save_CCPN_Analysis _Software.Sf_category software _Software.Sf_framecode CCPN_Analysis _Software.Entry_ID 26716 _Software.ID 1 _Software.Name CCPN_Analysis _Software.Version 2.4.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 26716 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26716 1 'chemical shift calculation' 26716 1 'data analysis' 26716 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26716 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26716 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26716 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 26716 _Software.ID 3 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 26716 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 26716 3 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 26716 _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_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26716 _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 . . . 26716 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 26716 _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-15N HSQC' no . . . . . . . . . . 1 $0%_IL isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26716 1 2 '3D HNCA' no . . . . . . . . . . 1 $0%_IL isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26716 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 26716 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 'separate tube (no insert) similar to the experimental sample tube' . 'magic angle' . . 26716 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 'separate tube (no insert) similar to the experimental sample tube' . 'magic angle' . . 26716 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 'separate tube (no insert) not similar to the experimental sample tube' . 'magic angle' . . 26716 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_0%_IL_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode 0%_IL_chemical_shifts _Assigned_chem_shift_list.Entry_ID 26716 _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-15N HSQC' . . . 26716 1 2 '3D HNCA' . . . 26716 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET CA C 13 54.716 0.000 . 1 . . . . 1 MET CA . 26716 1 2 . 1 1 2 2 GLN H H 1 8.353 0.001 . 1 . . . . 2 GLN H . 26716 1 3 . 1 1 2 2 GLN CA C 13 56.017 0.015 . 1 . . . . 2 GLN CA . 26716 1 4 . 1 1 2 2 GLN N N 15 123.688 0.016 . 1 . . . . 2 GLN N . 26716 1 5 . 1 1 3 3 TYR H H 1 9.093 0.000 . 1 . . . . 3 TYR H . 26716 1 6 . 1 1 3 3 TYR CA C 13 57.263 0.006 . 1 . . . . 3 TYR CA . 26716 1 7 . 1 1 3 3 TYR N N 15 124.569 0.008 . 1 . . . . 3 TYR N . 26716 1 8 . 1 1 4 4 LYS H H 1 9.100 0.001 . 1 . . . . 4 LYS H . 26716 1 9 . 1 1 4 4 LYS CA C 13 55.246 0.021 . 1 . . . . 4 LYS CA . 26716 1 10 . 1 1 4 4 LYS N N 15 122.365 0.000 . 1 . . . . 4 LYS N . 26716 1 11 . 1 1 5 5 LEU H H 1 8.611 0.001 . 1 . . . . 5 LEU H . 26716 1 12 . 1 1 5 5 LEU CA C 13 52.755 0.009 . 1 . . . . 5 LEU CA . 26716 1 13 . 1 1 5 5 LEU N N 15 126.427 0.005 . 1 . . . . 5 LEU N . 26716 1 14 . 1 1 6 6 ILE H H 1 9.115 0.000 . 1 . . . . 6 ILE H . 26716 1 15 . 1 1 6 6 ILE CA C 13 60.353 0.009 . 1 . . . . 6 ILE CA . 26716 1 16 . 1 1 6 6 ILE N N 15 126.325 0.000 . 1 . . . . 6 ILE N . 26716 1 17 . 1 1 7 7 LEU H H 1 8.698 0.001 . 1 . . . . 7 LEU H . 26716 1 18 . 1 1 7 7 LEU CA C 13 54.492 0.017 . 1 . . . . 7 LEU CA . 26716 1 19 . 1 1 7 7 LEU N N 15 125.863 0.025 . 1 . . . . 7 LEU N . 26716 1 20 . 1 1 8 8 ASN H H 1 8.911 0.002 . 1 . . . . 8 ASN H . 26716 1 21 . 1 1 8 8 ASN HD21 H 1 7.132 0.000 . 1 . . . . 8 ASN HD21 . 26716 1 22 . 1 1 8 8 ASN HD22 H 1 6.757 0.000 . 1 . . . . 8 ASN HD22 . 26716 1 23 . 1 1 8 8 ASN CA C 13 50.985 0.048 . 1 . . . . 8 ASN CA . 26716 1 24 . 1 1 8 8 ASN N N 15 126.537 0.006 . 1 . . . . 8 ASN N . 26716 1 25 . 1 1 8 8 ASN ND2 N 15 111.286 0.001 . 1 . . . . 8 ASN ND2 . 26716 1 26 . 1 1 9 9 GLY H H 1 7.912 0.000 . 1 . . . . 9 GLY H . 26716 1 27 . 1 1 9 9 GLY CA C 13 44.864 0.013 . 1 . . . . 9 GLY CA . 26716 1 28 . 1 1 9 9 GLY N N 15 109.539 0.006 . 1 . . . . 9 GLY N . 26716 1 29 . 1 1 10 10 LYS H H 1 9.470 0.000 . 1 . . . . 10 LYS H . 26716 1 30 . 1 1 10 10 LYS CA C 13 59.213 0.026 . 1 . . . . 10 LYS CA . 26716 1 31 . 1 1 10 10 LYS N N 15 121.085 0.007 . 1 . . . . 10 LYS N . 26716 1 32 . 1 1 11 11 THR H H 1 8.791 0.001 . 1 . . . . 11 THR H . 26716 1 33 . 1 1 11 11 THR CA C 13 61.938 0.028 . 1 . . . . 11 THR CA . 26716 1 34 . 1 1 11 11 THR N N 15 108.631 0.035 . 1 . . . . 11 THR N . 26716 1 35 . 1 1 12 12 LEU H H 1 7.367 0.001 . 1 . . . . 12 LEU H . 26716 1 36 . 1 1 12 12 LEU CA C 13 55.251 0.001 . 1 . . . . 12 LEU CA . 26716 1 37 . 1 1 12 12 LEU N N 15 125.498 0.040 . 1 . . . . 12 LEU N . 26716 1 38 . 1 1 13 13 LYS H H 1 8.087 0.000 . 1 . . . . 13 LYS H . 26716 1 39 . 1 1 13 13 LYS CA C 13 53.809 0.001 . 1 . . . . 13 LYS CA . 26716 1 40 . 1 1 13 13 LYS N N 15 123.767 0.004 . 1 . . . . 13 LYS N . 26716 1 41 . 1 1 14 14 GLY H H 1 8.420 0.001 . 1 . . . . 14 GLY H . 26716 1 42 . 1 1 14 14 GLY CA C 13 45.199 0.017 . 1 . . . . 14 GLY CA . 26716 1 43 . 1 1 14 14 GLY N N 15 109.338 0.022 . 1 . . . . 14 GLY N . 26716 1 44 . 1 1 15 15 GLU H H 1 8.389 0.000 . 1 . . . . 15 GLU H . 26716 1 45 . 1 1 15 15 GLU CA C 13 54.725 0.006 . 1 . . . . 15 GLU CA . 26716 1 46 . 1 1 15 15 GLU N N 15 118.784 0.007 . 1 . . . . 15 GLU N . 26716 1 47 . 1 1 16 16 THR H H 1 8.756 0.001 . 1 . . . . 16 THR H . 26716 1 48 . 1 1 16 16 THR CA C 13 60.629 0.017 . 1 . . . . 16 THR CA . 26716 1 49 . 1 1 16 16 THR N N 15 116.006 0.015 . 1 . . . . 16 THR N . 26716 1 50 . 1 1 17 17 THR H H 1 8.070 0.002 . 1 . . . . 17 THR H . 26716 1 51 . 1 1 17 17 THR CA C 13 59.958 0.038 . 1 . . . . 17 THR CA . 26716 1 52 . 1 1 17 17 THR N N 15 111.953 0.037 . 1 . . . . 17 THR N . 26716 1 53 . 1 1 18 18 THR H H 1 8.981 0.000 . 1 . . . . 18 THR H . 26716 1 54 . 1 1 18 18 THR CA C 13 62.463 0.038 . 1 . . . . 18 THR CA . 26716 1 55 . 1 1 18 18 THR N N 15 112.679 0.000 . 1 . . . . 18 THR N . 26716 1 56 . 1 1 19 19 GLU H H 1 7.925 0.000 . 1 . . . . 19 GLU H . 26716 1 57 . 1 1 19 19 GLU CA C 13 54.517 0.035 . 1 . . . . 19 GLU CA . 26716 1 58 . 1 1 19 19 GLU N N 15 126.057 0.006 . 1 . . . . 19 GLU N . 26716 1 59 . 1 1 20 20 ALA H H 1 9.308 0.001 . 1 . . . . 20 ALA H . 26716 1 60 . 1 1 20 20 ALA CA C 13 50.889 0.011 . 1 . . . . 20 ALA CA . 26716 1 61 . 1 1 20 20 ALA N N 15 127.428 0.015 . 1 . . . . 20 ALA N . 26716 1 62 . 1 1 21 21 VAL H H 1 8.476 0.001 . 1 . . . . 21 VAL H . 26716 1 63 . 1 1 21 21 VAL CA C 13 63.640 0.002 . 1 . . . . 21 VAL CA . 26716 1 64 . 1 1 21 21 VAL N N 15 115.851 0.001 . 1 . . . . 21 VAL N . 26716 1 65 . 1 1 22 22 ASP H H 1 7.335 0.001 . 1 . . . . 22 ASP H . 26716 1 66 . 1 1 22 22 ASP CA C 13 52.542 0.021 . 1 . . . . 22 ASP CA . 26716 1 67 . 1 1 22 22 ASP N N 15 115.293 0.017 . 1 . . . . 22 ASP N . 26716 1 68 . 1 1 23 23 ALA H H 1 8.266 0.000 . 1 . . . . 23 ALA H . 26716 1 69 . 1 1 23 23 ALA CA C 13 54.689 0.033 . 1 . . . . 23 ALA CA . 26716 1 70 . 1 1 23 23 ALA N N 15 121.476 0.019 . 1 . . . . 23 ALA N . 26716 1 71 . 1 1 24 24 ALA H H 1 8.023 0.000 . 1 . . . . 24 ALA H . 26716 1 72 . 1 1 24 24 ALA CA C 13 54.826 0.038 . 1 . . . . 24 ALA CA . 26716 1 73 . 1 1 24 24 ALA N N 15 120.501 0.008 . 1 . . . . 24 ALA N . 26716 1 74 . 1 1 25 25 THR H H 1 8.280 0.001 . 1 . . . . 25 THR H . 26716 1 75 . 1 1 25 25 THR CA C 13 66.955 0.007 . 1 . . . . 25 THR CA . 26716 1 76 . 1 1 25 25 THR N N 15 116.411 0.008 . 1 . . . . 25 THR N . 26716 1 77 . 1 1 26 26 ALA H H 1 7.164 0.001 . 1 . . . . 26 ALA H . 26716 1 78 . 1 1 26 26 ALA CA C 13 54.875 0.024 . 1 . . . . 26 ALA CA . 26716 1 79 . 1 1 26 26 ALA N N 15 123.677 0.009 . 1 . . . . 26 ALA N . 26716 1 80 . 1 1 27 27 GLU H H 1 8.318 0.001 . 1 . . . . 27 GLU H . 26716 1 81 . 1 1 27 27 GLU CA C 13 59.779 0.059 . 1 . . . . 27 GLU CA . 26716 1 82 . 1 1 27 27 GLU N N 15 116.577 0.008 . 1 . . . . 27 GLU N . 26716 1 83 . 1 1 28 28 LYS H H 1 6.956 0.000 . 1 . . . . 28 LYS H . 26716 1 84 . 1 1 28 28 LYS CA C 13 59.827 0.092 . 1 . . . . 28 LYS CA . 26716 1 85 . 1 1 28 28 LYS N N 15 116.705 0.006 . 1 . . . . 28 LYS N . 26716 1 86 . 1 1 29 29 VAL H H 1 7.310 0.001 . 1 . . . . 29 VAL H . 26716 1 87 . 1 1 29 29 VAL CA C 13 66.038 0.031 . 1 . . . . 29 VAL CA . 26716 1 88 . 1 1 29 29 VAL N N 15 120.642 0.006 . 1 . . . . 29 VAL N . 26716 1 89 . 1 1 30 30 PHE H H 1 8.506 0.001 . 1 . . . . 30 PHE H . 26716 1 90 . 1 1 30 30 PHE CA C 13 56.538 0.009 . 1 . . . . 30 PHE CA . 26716 1 91 . 1 1 30 30 PHE N N 15 120.700 0.017 . 1 . . . . 30 PHE N . 26716 1 92 . 1 1 31 31 LYS H H 1 9.082 0.001 . 1 . . . . 31 LYS H . 26716 1 93 . 1 1 31 31 LYS CA C 13 59.964 0.017 . 1 . . . . 31 LYS CA . 26716 1 94 . 1 1 31 31 LYS N N 15 122.916 0.019 . 1 . . . . 31 LYS N . 26716 1 95 . 1 1 32 32 GLN H H 1 7.419 0.001 . 1 . . . . 32 GLN H . 26716 1 96 . 1 1 32 32 GLN HE21 H 1 7.919 0.000 . 1 . . . . 32 GLN HE21 . 26716 1 97 . 1 1 32 32 GLN HE22 H 1 6.857 0.000 . 1 . . . . 32 GLN HE22 . 26716 1 98 . 1 1 32 32 GLN CA C 13 58.756 0.013 . 1 . . . . 32 GLN CA . 26716 1 99 . 1 1 32 32 GLN N N 15 119.599 0.010 . 1 . . . . 32 GLN N . 26716 1 100 . 1 1 32 32 GLN NE2 N 15 115.191 0.002 . 1 . . . . 32 GLN NE2 . 26716 1 101 . 1 1 33 33 TYR H H 1 8.242 0.001 . 1 . . . . 33 TYR H . 26716 1 102 . 1 1 33 33 TYR CA C 13 61.957 0.012 . 1 . . . . 33 TYR CA . 26716 1 103 . 1 1 33 33 TYR N N 15 120.964 0.016 . 1 . . . . 33 TYR N . 26716 1 104 . 1 1 34 34 ALA H H 1 9.194 0.000 . 1 . . . . 34 ALA H . 26716 1 105 . 1 1 34 34 ALA CA C 13 56.338 0.015 . 1 . . . . 34 ALA CA . 26716 1 106 . 1 1 34 34 ALA N N 15 122.599 0.012 . 1 . . . . 34 ALA N . 26716 1 107 . 1 1 35 35 ASN H H 1 8.282 0.001 . 1 . . . . 35 ASN H . 26716 1 108 . 1 1 35 35 ASN HD21 H 1 7.609 0.000 . 1 . . . . 35 ASN HD21 . 26716 1 109 . 1 1 35 35 ASN HD22 H 1 6.961 0.000 . 1 . . . . 35 ASN HD22 . 26716 1 110 . 1 1 35 35 ASN CA C 13 57.118 0.055 . 1 . . . . 35 ASN CA . 26716 1 111 . 1 1 35 35 ASN N N 15 117.717 0.012 . 1 . . . . 35 ASN N . 26716 1 112 . 1 1 35 35 ASN ND2 N 15 112.087 0.001 . 1 . . . . 35 ASN ND2 . 26716 1 113 . 1 1 36 36 ASP H H 1 8.929 0.000 . 1 . . . . 36 ASP H . 26716 1 114 . 1 1 36 36 ASP CA C 13 56.998 0.054 . 1 . . . . 36 ASP CA . 26716 1 115 . 1 1 36 36 ASP N N 15 121.484 0.008 . 1 . . . . 36 ASP N . 26716 1 116 . 1 1 37 37 ASN H H 1 7.393 0.000 . 1 . . . . 37 ASN H . 26716 1 117 . 1 1 37 37 ASN HD21 H 1 6.649 0.000 . 1 . . . . 37 ASN HD21 . 26716 1 118 . 1 1 37 37 ASN HD22 H 1 6.226 0.000 . 1 . . . . 37 ASN HD22 . 26716 1 119 . 1 1 37 37 ASN CA C 13 53.829 0.018 . 1 . . . . 37 ASN CA . 26716 1 120 . 1 1 37 37 ASN N N 15 115.585 0.028 . 1 . . . . 37 ASN N . 26716 1 121 . 1 1 37 37 ASN ND2 N 15 114.705 0.001 . 1 . . . . 37 ASN ND2 . 26716 1 122 . 1 1 38 38 GLY H H 1 7.811 0.002 . 1 . . . . 38 GLY H . 26716 1 123 . 1 1 38 38 GLY CA C 13 46.858 0.040 . 1 . . . . 38 GLY CA . 26716 1 124 . 1 1 38 38 GLY N N 15 108.148 0.052 . 1 . . . . 38 GLY N . 26716 1 125 . 1 1 39 39 VAL H H 1 8.110 0.000 . 1 . . . . 39 VAL H . 26716 1 126 . 1 1 39 39 VAL CA C 13 61.963 0.010 . 1 . . . . 39 VAL CA . 26716 1 127 . 1 1 39 39 VAL N N 15 121.026 0.021 . 1 . . . . 39 VAL N . 26716 1 128 . 1 1 40 40 ASP H H 1 8.552 0.001 . 1 . . . . 40 ASP H . 26716 1 129 . 1 1 40 40 ASP CA C 13 52.641 0.023 . 1 . . . . 40 ASP CA . 26716 1 130 . 1 1 40 40 ASP N N 15 127.612 0.009 . 1 . . . . 40 ASP N . 26716 1 131 . 1 1 41 41 GLY H H 1 7.774 0.001 . 1 . . . . 41 GLY H . 26716 1 132 . 1 1 41 41 GLY CA C 13 45.467 0.026 . 1 . . . . 41 GLY CA . 26716 1 133 . 1 1 41 41 GLY N N 15 107.064 0.000 . 1 . . . . 41 GLY N . 26716 1 134 . 1 1 42 42 GLU H H 1 8.197 0.000 . 1 . . . . 42 GLU H . 26716 1 135 . 1 1 42 42 GLU CA C 13 55.582 0.004 . 1 . . . . 42 GLU CA . 26716 1 136 . 1 1 42 42 GLU N N 15 120.853 0.000 . 1 . . . . 42 GLU N . 26716 1 137 . 1 1 43 43 TRP H H 1 9.297 0.001 . 1 . . . . 43 TRP H . 26716 1 138 . 1 1 43 43 TRP HE1 H 1 10.503 0.000 . 1 . . . . 43 TRP HE1 . 26716 1 139 . 1 1 43 43 TRP CA C 13 57.942 0.004 . 1 . . . . 43 TRP CA . 26716 1 140 . 1 1 43 43 TRP N N 15 128.436 0.022 . 1 . . . . 43 TRP N . 26716 1 141 . 1 1 43 43 TRP NE1 N 15 130.692 0.000 . 1 . . . . 43 TRP NE1 . 26716 1 142 . 1 1 44 44 THR H H 1 9.286 0.001 . 1 . . . . 44 THR H . 26716 1 143 . 1 1 44 44 THR CA C 13 60.593 0.018 . 1 . . . . 44 THR CA . 26716 1 144 . 1 1 44 44 THR N N 15 114.910 0.015 . 1 . . . . 44 THR N . 26716 1 145 . 1 1 45 45 TYR H H 1 8.545 0.001 . 1 . . . . 45 TYR H . 26716 1 146 . 1 1 45 45 TYR CA C 13 56.949 0.002 . 1 . . . . 45 TYR CA . 26716 1 147 . 1 1 45 45 TYR N N 15 120.827 0.006 . 1 . . . . 45 TYR N . 26716 1 148 . 1 1 46 46 ASP H H 1 7.621 0.000 . 1 . . . . 46 ASP H . 26716 1 149 . 1 1 46 46 ASP CA C 13 51.886 0.040 . 1 . . . . 46 ASP CA . 26716 1 150 . 1 1 46 46 ASP N N 15 128.489 0.022 . 1 . . . . 46 ASP N . 26716 1 151 . 1 1 47 47 ASP H H 1 8.558 0.000 . 1 . . . . 47 ASP H . 26716 1 152 . 1 1 47 47 ASP CA C 13 56.363 0.044 . 1 . . . . 47 ASP CA . 26716 1 153 . 1 1 47 47 ASP N N 15 124.922 0.000 . 1 . . . . 47 ASP N . 26716 1 154 . 1 1 48 48 ALA H H 1 8.319 0.001 . 1 . . . . 48 ALA H . 26716 1 155 . 1 1 48 48 ALA CA C 13 55.048 0.035 . 1 . . . . 48 ALA CA . 26716 1 156 . 1 1 48 48 ALA N N 15 119.890 0.008 . 1 . . . . 48 ALA N . 26716 1 157 . 1 1 49 49 THR H H 1 7.011 0.000 . 1 . . . . 49 THR H . 26716 1 158 . 1 1 49 49 THR CA C 13 60.551 0.045 . 1 . . . . 49 THR CA . 26716 1 159 . 1 1 49 49 THR N N 15 103.300 0.027 . 1 . . . . 49 THR N . 26716 1 160 . 1 1 50 50 LYS H H 1 7.860 0.000 . 1 . . . . 50 LYS H . 26716 1 161 . 1 1 50 50 LYS CA C 13 56.521 0.015 . 1 . . . . 50 LYS CA . 26716 1 162 . 1 1 50 50 LYS N N 15 123.085 0.010 . 1 . . . . 50 LYS N . 26716 1 163 . 1 1 51 51 THR H H 1 7.392 0.001 . 1 . . . . 51 THR H . 26716 1 164 . 1 1 51 51 THR CA C 13 62.290 0.014 . 1 . . . . 51 THR CA . 26716 1 165 . 1 1 51 51 THR N N 15 111.300 0.018 . 1 . . . . 51 THR N . 26716 1 166 . 1 1 52 52 PHE H H 1 10.358 0.000 . 1 . . . . 52 PHE H . 26716 1 167 . 1 1 52 52 PHE CA C 13 57.272 0.006 . 1 . . . . 52 PHE CA . 26716 1 168 . 1 1 52 52 PHE N N 15 130.861 0.008 . 1 . . . . 52 PHE N . 26716 1 169 . 1 1 53 53 THR H H 1 9.109 0.000 . 1 . . . . 53 THR H . 26716 1 170 . 1 1 53 53 THR CA C 13 61.641 0.009 . 1 . . . . 53 THR CA . 26716 1 171 . 1 1 53 53 THR N N 15 117.309 0.008 . 1 . . . . 53 THR N . 26716 1 172 . 1 1 54 54 VAL H H 1 8.173 0.000 . 1 . . . . 54 VAL H . 26716 1 173 . 1 1 54 54 VAL CA C 13 58.067 0.001 . 1 . . . . 54 VAL CA . 26716 1 174 . 1 1 54 54 VAL N N 15 123.584 0.009 . 1 . . . . 54 VAL N . 26716 1 175 . 1 1 55 55 THR H H 1 8.346 0.002 . 1 . . . . 55 THR H . 26716 1 176 . 1 1 55 55 THR CA C 13 61.369 0.029 . 1 . . . . 55 THR CA . 26716 1 177 . 1 1 55 55 THR N N 15 123.895 0.000 . 1 . . . . 55 THR N . 26716 1 178 . 1 1 56 56 GLU H H 1 7.794 0.000 . 1 . . . . 56 GLU H . 26716 1 179 . 1 1 56 56 GLU CA C 13 58.138 0.000 . 1 . . . . 56 GLU CA . 26716 1 180 . 1 1 56 56 GLU N N 15 133.857 0.043 . 1 . . . . 56 GLU N . 26716 1 stop_ save_ save_10%_IL_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode 10%_IL_chemical_shifts _Assigned_chem_shift_list.Entry_ID 26716 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _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-15N HSQC' . . . 26716 2 2 '3D HNCA' . . . 26716 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET CA C 13 54.786 0.000 . 1 . . . . 1 MET CA . 26716 2 2 . 1 1 2 2 GLN H H 1 8.346 0.001 . 1 . . . . 2 GLN H . 26716 2 3 . 1 1 2 2 GLN CA C 13 56.013 0.042 . 1 . . . . 2 GLN CA . 26716 2 4 . 1 1 2 2 GLN N N 15 123.686 0.007 . 1 . . . . 2 GLN N . 26716 2 5 . 1 1 3 3 TYR H H 1 9.089 0.004 . 1 . . . . 3 TYR H . 26716 2 6 . 1 1 3 3 TYR CA C 13 57.270 0.019 . 1 . . . . 3 TYR CA . 26716 2 7 . 1 1 3 3 TYR N N 15 124.252 0.014 . 1 . . . . 3 TYR N . 26716 2 8 . 1 1 4 4 LYS H H 1 9.127 0.004 . 1 . . . . 4 LYS H . 26716 2 9 . 1 1 4 4 LYS CA C 13 55.230 0.008 . 1 . . . . 4 LYS CA . 26716 2 10 . 1 1 4 4 LYS N N 15 122.384 0.020 . 1 . . . . 4 LYS N . 26716 2 11 . 1 1 5 5 LEU H H 1 8.654 0.003 . 1 . . . . 5 LEU H . 26716 2 12 . 1 1 5 5 LEU CA C 13 52.805 0.020 . 1 . . . . 5 LEU CA . 26716 2 13 . 1 1 5 5 LEU N N 15 126.494 0.015 . 1 . . . . 5 LEU N . 26716 2 14 . 1 1 6 6 ILE H H 1 9.124 0.005 . 1 . . . . 6 ILE H . 26716 2 15 . 1 1 6 6 ILE CA C 13 60.425 0.000 . 1 . . . . 6 ILE CA . 26716 2 16 . 1 1 6 6 ILE N N 15 126.343 0.029 . 1 . . . . 6 ILE N . 26716 2 17 . 1 1 7 7 LEU H H 1 8.763 0.001 . 1 . . . . 7 LEU H . 26716 2 18 . 1 1 7 7 LEU CA C 13 54.531 0.014 . 1 . . . . 7 LEU CA . 26716 2 19 . 1 1 7 7 LEU N N 15 126.002 0.016 . 1 . . . . 7 LEU N . 26716 2 20 . 1 1 8 8 ASN H H 1 8.921 0.002 . 1 . . . . 8 ASN H . 26716 2 21 . 1 1 8 8 ASN HD21 H 1 7.163 0.000 . 1 . . . . 8 ASN HD21 . 26716 2 22 . 1 1 8 8 ASN HD22 H 1 6.768 0.000 . 1 . . . . 8 ASN HD22 . 26716 2 23 . 1 1 8 8 ASN CA C 13 51.094 0.012 . 1 . . . . 8 ASN CA . 26716 2 24 . 1 1 8 8 ASN N N 15 126.509 0.024 . 1 . . . . 8 ASN N . 26716 2 25 . 1 1 8 8 ASN ND2 N 15 111.358 0.002 . 1 . . . . 8 ASN ND2 . 26716 2 26 . 1 1 9 9 GLY H H 1 7.889 0.003 . 1 . . . . 9 GLY H . 26716 2 27 . 1 1 9 9 GLY CA C 13 44.876 0.009 . 1 . . . . 9 GLY CA . 26716 2 28 . 1 1 9 9 GLY N N 15 109.603 0.025 . 1 . . . . 9 GLY N . 26716 2 29 . 1 1 10 10 LYS H H 1 9.510 0.001 . 1 . . . . 10 LYS H . 26716 2 30 . 1 1 10 10 LYS CA C 13 59.203 0.003 . 1 . . . . 10 LYS CA . 26716 2 31 . 1 1 10 10 LYS N N 15 121.078 0.005 . 1 . . . . 10 LYS N . 26716 2 32 . 1 1 11 11 THR H H 1 8.811 0.002 . 1 . . . . 11 THR H . 26716 2 33 . 1 1 11 11 THR CA C 13 61.983 0.030 . 1 . . . . 11 THR CA . 26716 2 34 . 1 1 11 11 THR N N 15 108.473 0.020 . 1 . . . . 11 THR N . 26716 2 35 . 1 1 12 12 LEU H H 1 7.369 0.002 . 1 . . . . 12 LEU H . 26716 2 36 . 1 1 12 12 LEU CA C 13 55.185 0.020 . 1 . . . . 12 LEU CA . 26716 2 37 . 1 1 12 12 LEU N N 15 125.252 0.003 . 1 . . . . 12 LEU N . 26716 2 38 . 1 1 13 13 LYS H H 1 8.075 0.002 . 1 . . . . 13 LYS H . 26716 2 39 . 1 1 13 13 LYS CA C 13 53.858 0.009 . 1 . . . . 13 LYS CA . 26716 2 40 . 1 1 13 13 LYS N N 15 123.396 0.013 . 1 . . . . 13 LYS N . 26716 2 41 . 1 1 14 14 GLY H H 1 8.432 0.003 . 1 . . . . 14 GLY H . 26716 2 42 . 1 1 14 14 GLY CA C 13 45.265 0.010 . 1 . . . . 14 GLY CA . 26716 2 43 . 1 1 14 14 GLY N N 15 109.090 0.024 . 1 . . . . 14 GLY N . 26716 2 44 . 1 1 15 15 GLU H H 1 8.408 0.003 . 1 . . . . 15 GLU H . 26716 2 45 . 1 1 15 15 GLU CA C 13 54.692 0.017 . 1 . . . . 15 GLU CA . 26716 2 46 . 1 1 15 15 GLU N N 15 118.746 0.003 . 1 . . . . 15 GLU N . 26716 2 47 . 1 1 16 16 THR H H 1 8.821 0.001 . 1 . . . . 16 THR H . 26716 2 48 . 1 1 16 16 THR CA C 13 60.727 0.006 . 1 . . . . 16 THR CA . 26716 2 49 . 1 1 16 16 THR N N 15 116.066 0.017 . 1 . . . . 16 THR N . 26716 2 50 . 1 1 17 17 THR H H 1 8.121 0.001 . 1 . . . . 17 THR H . 26716 2 51 . 1 1 17 17 THR CA C 13 59.979 0.011 . 1 . . . . 17 THR CA . 26716 2 52 . 1 1 17 17 THR N N 15 112.134 0.028 . 1 . . . . 17 THR N . 26716 2 53 . 1 1 18 18 THR H H 1 8.977 0.003 . 1 . . . . 18 THR H . 26716 2 54 . 1 1 18 18 THR CA C 13 62.357 0.012 . 1 . . . . 18 THR CA . 26716 2 55 . 1 1 18 18 THR N N 15 114.269 0.020 . 1 . . . . 18 THR N . 26716 2 56 . 1 1 19 19 GLU H H 1 7.908 0.004 . 1 . . . . 19 GLU H . 26716 2 57 . 1 1 19 19 GLU CA C 13 54.603 0.006 . 1 . . . . 19 GLU CA . 26716 2 58 . 1 1 19 19 GLU N N 15 126.022 0.021 . 1 . . . . 19 GLU N . 26716 2 59 . 1 1 20 20 ALA H H 1 9.316 0.001 . 1 . . . . 20 ALA H . 26716 2 60 . 1 1 20 20 ALA CA C 13 50.969 0.016 . 1 . . . . 20 ALA CA . 26716 2 61 . 1 1 20 20 ALA N N 15 127.245 0.018 . 1 . . . . 20 ALA N . 26716 2 62 . 1 1 21 21 VAL H H 1 8.500 0.003 . 1 . . . . 21 VAL H . 26716 2 63 . 1 1 21 21 VAL CA C 13 63.754 0.022 . 1 . . . . 21 VAL CA . 26716 2 64 . 1 1 21 21 VAL N N 15 116.163 0.017 . 1 . . . . 21 VAL N . 26716 2 65 . 1 1 22 22 ASP H H 1 7.347 0.004 . 1 . . . . 22 ASP H . 26716 2 66 . 1 1 22 22 ASP CA C 13 52.621 0.005 . 1 . . . . 22 ASP CA . 26716 2 67 . 1 1 22 22 ASP N N 15 115.228 0.027 . 1 . . . . 22 ASP N . 26716 2 68 . 1 1 23 23 ALA H H 1 8.299 0.002 . 1 . . . . 23 ALA H . 26716 2 69 . 1 1 23 23 ALA CA C 13 54.671 0.006 . 1 . . . . 23 ALA CA . 26716 2 70 . 1 1 23 23 ALA N N 15 121.549 0.020 . 1 . . . . 23 ALA N . 26716 2 71 . 1 1 24 24 ALA H H 1 8.068 0.001 . 1 . . . . 24 ALA H . 26716 2 72 . 1 1 24 24 ALA CA C 13 54.810 0.009 . 1 . . . . 24 ALA CA . 26716 2 73 . 1 1 24 24 ALA N N 15 120.795 0.000 . 1 . . . . 24 ALA N . 26716 2 74 . 1 1 25 25 THR H H 1 8.315 0.002 . 1 . . . . 25 THR H . 26716 2 75 . 1 1 25 25 THR CA C 13 67.022 0.000 . 1 . . . . 25 THR CA . 26716 2 76 . 1 1 25 25 THR N N 15 116.598 0.023 . 1 . . . . 25 THR N . 26716 2 77 . 1 1 26 26 ALA H H 1 7.186 0.001 . 1 . . . . 26 ALA H . 26716 2 78 . 1 1 26 26 ALA CA C 13 54.952 0.012 . 1 . . . . 26 ALA CA . 26716 2 79 . 1 1 26 26 ALA N N 15 123.590 0.000 . 1 . . . . 26 ALA N . 26716 2 80 . 1 1 27 27 GLU H H 1 8.267 0.001 . 1 . . . . 27 GLU H . 26716 2 81 . 1 1 27 27 GLU CA C 13 59.747 0.009 . 1 . . . . 27 GLU CA . 26716 2 82 . 1 1 27 27 GLU N N 15 116.610 0.027 . 1 . . . . 27 GLU N . 26716 2 83 . 1 1 28 28 LYS H H 1 6.977 0.002 . 1 . . . . 28 LYS H . 26716 2 84 . 1 1 28 28 LYS CA C 13 59.829 0.033 . 1 . . . . 28 LYS CA . 26716 2 85 . 1 1 28 28 LYS N N 15 116.791 0.017 . 1 . . . . 28 LYS N . 26716 2 86 . 1 1 29 29 VAL H H 1 7.402 0.001 . 1 . . . . 29 VAL H . 26716 2 87 . 1 1 29 29 VAL CA C 13 66.042 0.010 . 1 . . . . 29 VAL CA . 26716 2 88 . 1 1 29 29 VAL N N 15 120.387 0.025 . 1 . . . . 29 VAL N . 26716 2 89 . 1 1 30 30 PHE H H 1 8.542 0.002 . 1 . . . . 30 PHE H . 26716 2 90 . 1 1 30 30 PHE CA C 13 56.672 0.024 . 1 . . . . 30 PHE CA . 26716 2 91 . 1 1 30 30 PHE N N 15 120.552 0.024 . 1 . . . . 30 PHE N . 26716 2 92 . 1 1 31 31 LYS H H 1 9.058 0.004 . 1 . . . . 31 LYS H . 26716 2 93 . 1 1 31 31 LYS CA C 13 60.048 0.016 . 1 . . . . 31 LYS CA . 26716 2 94 . 1 1 31 31 LYS N N 15 122.770 0.024 . 1 . . . . 31 LYS N . 26716 2 95 . 1 1 32 32 GLN H H 1 7.494 0.001 . 1 . . . . 32 GLN H . 26716 2 96 . 1 1 32 32 GLN HE21 H 1 7.934 0.000 . 1 . . . . 32 GLN HE21 . 26716 2 97 . 1 1 32 32 GLN HE22 H 1 6.846 0.000 . 1 . . . . 32 GLN HE22 . 26716 2 98 . 1 1 32 32 GLN CA C 13 58.846 0.008 . 1 . . . . 32 GLN CA . 26716 2 99 . 1 1 32 32 GLN N N 15 119.555 0.021 . 1 . . . . 32 GLN N . 26716 2 100 . 1 1 32 32 GLN NE2 N 15 115.095 0.006 . 1 . . . . 32 GLN NE2 . 26716 2 101 . 1 1 33 33 TYR H H 1 8.228 0.001 . 1 . . . . 33 TYR H . 26716 2 102 . 1 1 33 33 TYR CA C 13 61.841 0.023 . 1 . . . . 33 TYR CA . 26716 2 103 . 1 1 33 33 TYR N N 15 120.806 0.029 . 1 . . . . 33 TYR N . 26716 2 104 . 1 1 34 34 ALA H H 1 9.190 0.002 . 1 . . . . 34 ALA H . 26716 2 105 . 1 1 34 34 ALA CA C 13 56.354 0.009 . 1 . . . . 34 ALA CA . 26716 2 106 . 1 1 34 34 ALA N N 15 122.666 0.031 . 1 . . . . 34 ALA N . 26716 2 107 . 1 1 35 35 ASN H H 1 8.340 0.002 . 1 . . . . 35 ASN H . 26716 2 108 . 1 1 35 35 ASN HD21 H 1 7.646 0.000 . 1 . . . . 35 ASN HD21 . 26716 2 109 . 1 1 35 35 ASN HD22 H 1 6.979 0.000 . 1 . . . . 35 ASN HD22 . 26716 2 110 . 1 1 35 35 ASN CA C 13 57.081 0.000 . 1 . . . . 35 ASN CA . 26716 2 111 . 1 1 35 35 ASN N N 15 117.768 0.017 . 1 . . . . 35 ASN N . 26716 2 112 . 1 1 35 35 ASN ND2 N 15 112.008 0.005 . 1 . . . . 35 ASN ND2 . 26716 2 113 . 1 1 36 36 ASP H H 1 8.936 0.002 . 1 . . . . 36 ASP H . 26716 2 114 . 1 1 36 36 ASP CA C 13 57.036 0.003 . 1 . . . . 36 ASP CA . 26716 2 115 . 1 1 36 36 ASP N N 15 121.479 0.000 . 1 . . . . 36 ASP N . 26716 2 116 . 1 1 37 37 ASN H H 1 7.388 0.003 . 1 . . . . 37 ASN H . 26716 2 117 . 1 1 37 37 ASN HD21 H 1 6.649 0.000 . 1 . . . . 37 ASN HD21 . 26716 2 118 . 1 1 37 37 ASN HD22 H 1 6.226 0.000 . 1 . . . . 37 ASN HD22 . 26716 2 119 . 1 1 37 37 ASN CA C 13 53.856 0.015 . 1 . . . . 37 ASN CA . 26716 2 120 . 1 1 37 37 ASN N N 15 115.292 0.010 . 1 . . . . 37 ASN N . 26716 2 121 . 1 1 37 37 ASN ND2 N 15 114.705 0.001 . 1 . . . . 37 ASN ND2 . 26716 2 122 . 1 1 38 38 GLY H H 1 7.841 0.004 . 1 . . . . 38 GLY H . 26716 2 123 . 1 1 38 38 GLY CA C 13 46.830 0.021 . 1 . . . . 38 GLY CA . 26716 2 124 . 1 1 38 38 GLY N N 15 107.910 0.018 . 1 . . . . 38 GLY N . 26716 2 125 . 1 1 39 39 VAL H H 1 8.129 0.002 . 1 . . . . 39 VAL H . 26716 2 126 . 1 1 39 39 VAL CA C 13 62.001 0.004 . 1 . . . . 39 VAL CA . 26716 2 127 . 1 1 39 39 VAL N N 15 121.213 0.029 . 1 . . . . 39 VAL N . 26716 2 128 . 1 1 40 40 ASP H H 1 8.605 0.001 . 1 . . . . 40 ASP H . 26716 2 129 . 1 1 40 40 ASP CA C 13 52.799 0.016 . 1 . . . . 40 ASP CA . 26716 2 130 . 1 1 40 40 ASP N N 15 127.784 0.025 . 1 . . . . 40 ASP N . 26716 2 131 . 1 1 41 41 GLY H H 1 7.779 0.004 . 1 . . . . 41 GLY H . 26716 2 132 . 1 1 41 41 GLY CA C 13 45.453 0.009 . 1 . . . . 41 GLY CA . 26716 2 133 . 1 1 41 41 GLY N N 15 107.100 0.028 . 1 . . . . 41 GLY N . 26716 2 134 . 1 1 42 42 GLU H H 1 8.244 0.004 . 1 . . . . 42 GLU H . 26716 2 135 . 1 1 42 42 GLU CA C 13 55.624 0.002 . 1 . . . . 42 GLU CA . 26716 2 136 . 1 1 42 42 GLU N N 15 120.915 0.015 . 1 . . . . 42 GLU N . 26716 2 137 . 1 1 43 43 TRP H H 1 9.315 0.001 . 1 . . . . 43 TRP H . 26716 2 138 . 1 1 43 43 TRP HE1 H 1 10.530 0.000 . 1 . . . . 43 TRP HE1 . 26716 2 139 . 1 1 43 43 TRP CA C 13 57.912 0.011 . 1 . . . . 43 TRP CA . 26716 2 140 . 1 1 43 43 TRP N N 15 128.538 0.012 . 1 . . . . 43 TRP N . 26716 2 141 . 1 1 43 43 TRP NE1 N 15 130.812 0.000 . 1 . . . . 43 TRP NE1 . 26716 2 142 . 1 1 44 44 THR H H 1 9.295 0.000 . 1 . . . . 44 THR H . 26716 2 143 . 1 1 44 44 THR CA C 13 60.582 0.006 . 1 . . . . 44 THR CA . 26716 2 144 . 1 1 44 44 THR N N 15 114.378 0.004 . 1 . . . . 44 THR N . 26716 2 145 . 1 1 45 45 TYR H H 1 8.588 0.002 . 1 . . . . 45 TYR H . 26716 2 146 . 1 1 45 45 TYR CA C 13 56.987 0.001 . 1 . . . . 45 TYR CA . 26716 2 147 . 1 1 45 45 TYR N N 15 120.808 0.018 . 1 . . . . 45 TYR N . 26716 2 148 . 1 1 46 46 ASP H H 1 7.646 0.005 . 1 . . . . 46 ASP H . 26716 2 149 . 1 1 46 46 ASP CA C 13 51.904 0.005 . 1 . . . . 46 ASP CA . 26716 2 150 . 1 1 46 46 ASP N N 15 128.456 0.005 . 1 . . . . 46 ASP N . 26716 2 151 . 1 1 47 47 ASP H H 1 8.566 0.003 . 1 . . . . 47 ASP H . 26716 2 152 . 1 1 47 47 ASP CA C 13 56.355 0.000 . 1 . . . . 47 ASP CA . 26716 2 153 . 1 1 47 47 ASP N N 15 125.009 0.030 . 1 . . . . 47 ASP N . 26716 2 154 . 1 1 48 48 ALA H H 1 8.327 0.001 . 1 . . . . 48 ALA H . 26716 2 155 . 1 1 48 48 ALA CA C 13 55.129 0.004 . 1 . . . . 48 ALA CA . 26716 2 156 . 1 1 48 48 ALA N N 15 119.930 0.014 . 1 . . . . 48 ALA N . 26716 2 157 . 1 1 49 49 THR H H 1 7.029 0.001 . 1 . . . . 49 THR H . 26716 2 158 . 1 1 49 49 THR CA C 13 60.538 0.000 . 1 . . . . 49 THR CA . 26716 2 159 . 1 1 49 49 THR N N 15 103.367 0.110 . 1 . . . . 49 THR N . 26716 2 160 . 1 1 50 50 LYS H H 1 7.871 0.004 . 1 . . . . 50 LYS H . 26716 2 161 . 1 1 50 50 LYS CA C 13 56.628 0.047 . 1 . . . . 50 LYS CA . 26716 2 162 . 1 1 50 50 LYS N N 15 123.057 0.041 . 1 . . . . 50 LYS N . 26716 2 163 . 1 1 51 51 THR H H 1 7.399 0.003 . 1 . . . . 51 THR H . 26716 2 164 . 1 1 51 51 THR CA C 13 62.376 0.018 . 1 . . . . 51 THR CA . 26716 2 165 . 1 1 51 51 THR N N 15 111.242 0.065 . 1 . . . . 51 THR N . 26716 2 166 . 1 1 52 52 PHE H H 1 10.379 0.005 . 1 . . . . 52 PHE H . 26716 2 167 . 1 1 52 52 PHE CA C 13 57.221 0.026 . 1 . . . . 52 PHE CA . 26716 2 168 . 1 1 52 52 PHE N N 15 130.827 0.012 . 1 . . . . 52 PHE N . 26716 2 169 . 1 1 53 53 THR H H 1 9.079 0.004 . 1 . . . . 53 THR H . 26716 2 170 . 1 1 53 53 THR CA C 13 61.598 0.012 . 1 . . . . 53 THR CA . 26716 2 171 . 1 1 53 53 THR N N 15 117.136 0.005 . 1 . . . . 53 THR N . 26716 2 172 . 1 1 54 54 VAL H H 1 8.172 0.003 . 1 . . . . 54 VAL H . 26716 2 173 . 1 1 54 54 VAL CA C 13 58.103 0.016 . 1 . . . . 54 VAL CA . 26716 2 174 . 1 1 54 54 VAL N N 15 123.303 0.020 . 1 . . . . 54 VAL N . 26716 2 175 . 1 1 55 55 THR H H 1 8.352 0.002 . 1 . . . . 55 THR H . 26716 2 176 . 1 1 55 55 THR CA C 13 61.420 0.007 . 1 . . . . 55 THR CA . 26716 2 177 . 1 1 55 55 THR N N 15 123.938 0.033 . 1 . . . . 55 THR N . 26716 2 178 . 1 1 56 56 GLU H H 1 7.788 0.004 . 1 . . . . 56 GLU H . 26716 2 179 . 1 1 56 56 GLU CA C 13 58.293 0.000 . 1 . . . . 56 GLU CA . 26716 2 180 . 1 1 56 56 GLU N N 15 134.017 0.000 . 1 . . . . 56 GLU N . 26716 2 stop_ save_ save_25%_IL_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode 25%_IL_chemical_shifts _Assigned_chem_shift_list.Entry_ID 26716 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _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-15N HSQC' . . . 26716 3 2 '3D HNCA' . . . 26716 3 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET CA C 13 54.791 0.000 . 1 . . . . 1 MET CA . 26716 3 2 . 1 1 2 2 GLN H H 1 8.366 0.001 . 1 . . . . 2 GLN H . 26716 3 3 . 1 1 2 2 GLN CA C 13 56.067 0.006 . 1 . . . . 2 GLN CA . 26716 3 4 . 1 1 2 2 GLN N N 15 123.903 0.007 . 1 . . . . 2 GLN N . 26716 3 5 . 1 1 3 3 TYR H H 1 9.117 0.001 . 1 . . . . 3 TYR H . 26716 3 6 . 1 1 3 3 TYR CA C 13 57.391 0.005 . 1 . . . . 3 TYR CA . 26716 3 7 . 1 1 3 3 TYR N N 15 123.590 0.016 . 1 . . . . 3 TYR N . 26716 3 8 . 1 1 4 4 LYS H H 1 9.234 0.001 . 1 . . . . 4 LYS H . 26716 3 9 . 1 1 4 4 LYS CA C 13 55.270 0.043 . 1 . . . . 4 LYS CA . 26716 3 10 . 1 1 4 4 LYS N N 15 122.461 0.023 . 1 . . . . 4 LYS N . 26716 3 11 . 1 1 5 5 LEU H H 1 8.771 0.001 . 1 . . . . 5 LEU H . 26716 3 12 . 1 1 5 5 LEU CA C 13 52.961 0.004 . 1 . . . . 5 LEU CA . 26716 3 13 . 1 1 5 5 LEU N N 15 126.475 0.000 . 1 . . . . 5 LEU N . 26716 3 14 . 1 1 6 6 ILE H H 1 9.190 0.002 . 1 . . . . 6 ILE H . 26716 3 15 . 1 1 6 6 ILE CA C 13 60.516 0.029 . 1 . . . . 6 ILE CA . 26716 3 16 . 1 1 6 6 ILE N N 15 126.310 0.014 . 1 . . . . 6 ILE N . 26716 3 17 . 1 1 7 7 LEU H H 1 8.896 0.002 . 1 . . . . 7 LEU H . 26716 3 18 . 1 1 7 7 LEU CA C 13 54.564 0.019 . 1 . . . . 7 LEU CA . 26716 3 19 . 1 1 7 7 LEU N N 15 126.381 0.000 . 1 . . . . 7 LEU N . 26716 3 20 . 1 1 8 8 ASN H H 1 8.978 0.001 . 1 . . . . 8 ASN H . 26716 3 21 . 1 1 8 8 ASN HD21 H 1 7.279 0.000 . 1 . . . . 8 ASN HD21 . 26716 3 22 . 1 1 8 8 ASN HD22 H 1 6.851 0.000 . 1 . . . . 8 ASN HD22 . 26716 3 23 . 1 1 8 8 ASN CA C 13 51.160 0.021 . 1 . . . . 8 ASN CA . 26716 3 24 . 1 1 8 8 ASN N N 15 126.312 0.001 . 1 . . . . 8 ASN N . 26716 3 25 . 1 1 8 8 ASN ND2 N 15 111.509 0.004 . 1 . . . . 8 ASN ND2 . 26716 3 26 . 1 1 9 9 GLY H H 1 7.918 0.001 . 1 . . . . 9 GLY H . 26716 3 27 . 1 1 9 9 GLY CA C 13 44.915 0.007 . 1 . . . . 9 GLY CA . 26716 3 28 . 1 1 9 9 GLY N N 15 109.559 0.009 . 1 . . . . 9 GLY N . 26716 3 29 . 1 1 10 10 LYS H H 1 9.557 0.001 . 1 . . . . 10 LYS H . 26716 3 30 . 1 1 10 10 LYS CA C 13 59.193 0.008 . 1 . . . . 10 LYS CA . 26716 3 31 . 1 1 10 10 LYS N N 15 120.922 0.003 . 1 . . . . 10 LYS N . 26716 3 32 . 1 1 11 11 THR H H 1 8.848 0.002 . 1 . . . . 11 THR H . 26716 3 33 . 1 1 11 11 THR CA C 13 62.082 0.005 . 1 . . . . 11 THR CA . 26716 3 34 . 1 1 11 11 THR N N 15 108.311 0.020 . 1 . . . . 11 THR N . 26716 3 35 . 1 1 12 12 LEU H H 1 7.412 0.000 . 1 . . . . 12 LEU H . 26716 3 36 . 1 1 12 12 LEU CA C 13 55.155 0.010 . 1 . . . . 12 LEU CA . 26716 3 37 . 1 1 12 12 LEU N N 15 124.851 0.000 . 1 . . . . 12 LEU N . 26716 3 38 . 1 1 13 13 LYS H H 1 8.113 0.001 . 1 . . . . 13 LYS H . 26716 3 39 . 1 1 13 13 LYS CA C 13 53.961 0.001 . 1 . . . . 13 LYS CA . 26716 3 40 . 1 1 13 13 LYS N N 15 123.028 0.007 . 1 . . . . 13 LYS N . 26716 3 41 . 1 1 14 14 GLY H H 1 8.506 0.001 . 1 . . . . 14 GLY H . 26716 3 42 . 1 1 14 14 GLY CA C 13 45.469 0.007 . 1 . . . . 14 GLY CA . 26716 3 43 . 1 1 14 14 GLY N N 15 108.655 0.024 . 1 . . . . 14 GLY N . 26716 3 44 . 1 1 15 15 GLU H H 1 8.488 0.001 . 1 . . . . 15 GLU H . 26716 3 45 . 1 1 15 15 GLU CA C 13 54.704 0.033 . 1 . . . . 15 GLU CA . 26716 3 46 . 1 1 15 15 GLU N N 15 118.891 0.000 . 1 . . . . 15 GLU N . 26716 3 47 . 1 1 16 16 THR H H 1 8.943 0.001 . 1 . . . . 16 THR H . 26716 3 48 . 1 1 16 16 THR CA C 13 60.904 0.024 . 1 . . . . 16 THR CA . 26716 3 49 . 1 1 16 16 THR N N 15 116.201 0.015 . 1 . . . . 16 THR N . 26716 3 50 . 1 1 17 17 THR H H 1 8.256 0.000 . 1 . . . . 17 THR H . 26716 3 51 . 1 1 17 17 THR CA C 13 60.077 0.014 . 1 . . . . 17 THR CA . 26716 3 52 . 1 1 17 17 THR N N 15 112.555 0.020 . 1 . . . . 17 THR N . 26716 3 53 . 1 1 18 18 THR H H 1 9.007 0.001 . 1 . . . . 18 THR H . 26716 3 54 . 1 1 18 18 THR CA C 13 62.304 0.012 . 1 . . . . 18 THR CA . 26716 3 55 . 1 1 18 18 THR N N 15 113.439 0.015 . 1 . . . . 18 THR N . 26716 3 56 . 1 1 19 19 GLU H H 1 7.923 0.001 . 1 . . . . 19 GLU H . 26716 3 57 . 1 1 19 19 GLU CA C 13 54.764 0.003 . 1 . . . . 19 GLU CA . 26716 3 58 . 1 1 19 19 GLU N N 15 125.906 0.023 . 1 . . . . 19 GLU N . 26716 3 59 . 1 1 20 20 ALA H H 1 9.360 0.001 . 1 . . . . 20 ALA H . 26716 3 60 . 1 1 20 20 ALA CA C 13 51.146 0.001 . 1 . . . . 20 ALA CA . 26716 3 61 . 1 1 20 20 ALA N N 15 126.785 0.021 . 1 . . . . 20 ALA N . 26716 3 62 . 1 1 21 21 VAL H H 1 8.599 0.001 . 1 . . . . 21 VAL H . 26716 3 63 . 1 1 21 21 VAL CA C 13 63.899 0.004 . 1 . . . . 21 VAL CA . 26716 3 64 . 1 1 21 21 VAL N N 15 116.714 0.007 . 1 . . . . 21 VAL N . 26716 3 65 . 1 1 22 22 ASP H H 1 7.404 0.004 . 1 . . . . 22 ASP H . 26716 3 66 . 1 1 22 22 ASP CA C 13 52.762 0.005 . 1 . . . . 22 ASP CA . 26716 3 67 . 1 1 22 22 ASP N N 15 115.024 0.000 . 1 . . . . 22 ASP N . 26716 3 68 . 1 1 23 23 ALA H H 1 8.365 0.000 . 1 . . . . 23 ALA H . 26716 3 69 . 1 1 23 23 ALA CA C 13 54.729 0.006 . 1 . . . . 23 ALA CA . 26716 3 70 . 1 1 23 23 ALA N N 15 121.847 0.021 . 1 . . . . 23 ALA N . 26716 3 71 . 1 1 24 24 ALA H H 1 8.176 0.001 . 1 . . . . 24 ALA H . 26716 3 72 . 1 1 24 24 ALA CA C 13 67.022 0.000 . 1 . . . . 24 ALA CA . 26716 3 73 . 1 1 24 24 ALA N N 15 121.089 0.000 . 1 . . . . 24 ALA N . 26716 3 74 . 1 1 25 25 THR H H 1 8.437 0.018 . 1 . . . . 25 THR H . 26716 3 75 . 1 1 25 25 THR CA C 13 67.253 0.000 . 1 . . . . 25 THR CA . 26716 3 76 . 1 1 25 25 THR N N 15 116.695 0.170 . 1 . . . . 25 THR N . 26716 3 77 . 1 1 26 26 ALA H H 1 7.291 0.003 . 1 . . . . 26 ALA H . 26716 3 78 . 1 1 26 26 ALA CA C 13 55.086 0.060 . 1 . . . . 26 ALA CA . 26716 3 79 . 1 1 26 26 ALA N N 15 123.506 0.000 . 1 . . . . 26 ALA N . 26716 3 80 . 1 1 27 27 GLU H H 1 8.274 0.001 . 1 . . . . 27 GLU H . 26716 3 81 . 1 1 27 27 GLU CA C 13 59.745 0.030 . 1 . . . . 27 GLU CA . 26716 3 82 . 1 1 27 27 GLU N N 15 116.467 0.014 . 1 . . . . 27 GLU N . 26716 3 83 . 1 1 28 28 LYS H H 1 7.068 0.001 . 1 . . . . 28 LYS H . 26716 3 84 . 1 1 28 28 LYS CA C 13 59.797 0.052 . 1 . . . . 28 LYS CA . 26716 3 85 . 1 1 28 28 LYS N N 15 116.950 0.000 . 1 . . . . 28 LYS N . 26716 3 86 . 1 1 29 29 VAL H H 1 7.578 0.002 . 1 . . . . 29 VAL H . 26716 3 87 . 1 1 29 29 VAL CA C 13 66.100 0.004 . 1 . . . . 29 VAL CA . 26716 3 88 . 1 1 29 29 VAL N N 15 119.980 0.017 . 1 . . . . 29 VAL N . 26716 3 89 . 1 1 30 30 PHE H H 1 8.636 0.001 . 1 . . . . 30 PHE H . 26716 3 90 . 1 1 30 30 PHE CA C 13 57.015 0.036 . 1 . . . . 30 PHE CA . 26716 3 91 . 1 1 30 30 PHE N N 15 120.288 0.024 . 1 . . . . 30 PHE N . 26716 3 92 . 1 1 31 31 LYS H H 1 9.074 0.002 . 1 . . . . 31 LYS H . 26716 3 93 . 1 1 31 31 LYS CA C 13 60.258 0.011 . 1 . . . . 31 LYS CA . 26716 3 94 . 1 1 31 31 LYS N N 15 122.487 0.024 . 1 . . . . 31 LYS N . 26716 3 95 . 1 1 32 32 GLN H H 1 7.664 0.000 . 1 . . . . 32 GLN H . 26716 3 96 . 1 1 32 32 GLN HE21 H 1 8.019 0.000 . 1 . . . . 32 GLN HE21 . 26716 3 97 . 1 1 32 32 GLN HE22 H 1 6.874 0.000 . 1 . . . . 32 GLN HE22 . 26716 3 98 . 1 1 32 32 GLN CA C 13 58.977 0.047 . 1 . . . . 32 GLN CA . 26716 3 99 . 1 1 32 32 GLN N N 15 119.637 0.009 . 1 . . . . 32 GLN N . 26716 3 100 . 1 1 32 32 GLN NE2 N 15 114.977 0.001 . 1 . . . . 32 GLN NE2 . 26716 3 101 . 1 1 33 33 TYR H H 1 8.248 0.000 . 1 . . . . 33 TYR H . 26716 3 102 . 1 1 33 33 TYR CA C 13 61.745 0.013 . 1 . . . . 33 TYR CA . 26716 3 103 . 1 1 33 33 TYR N N 15 120.496 0.018 . 1 . . . . 33 TYR N . 26716 3 104 . 1 1 34 34 ALA H H 1 9.243 0.001 . 1 . . . . 34 ALA H . 26716 3 105 . 1 1 34 34 ALA CA C 13 56.377 0.000 . 1 . . . . 34 ALA CA . 26716 3 106 . 1 1 34 34 ALA N N 15 122.650 0.038 . 1 . . . . 34 ALA N . 26716 3 107 . 1 1 35 35 ASN H H 1 8.500 0.001 . 1 . . . . 35 ASN H . 26716 3 108 . 1 1 35 35 ASN HD21 H 1 7.761 0.000 . 1 . . . . 35 ASN HD21 . 26716 3 109 . 1 1 35 35 ASN HD22 H 1 7.064 0.000 . 1 . . . . 35 ASN HD22 . 26716 3 110 . 1 1 35 35 ASN CA C 13 57.133 0.001 . 1 . . . . 35 ASN CA . 26716 3 111 . 1 1 35 35 ASN N N 15 117.919 0.016 . 1 . . . . 35 ASN N . 26716 3 112 . 1 1 35 35 ASN ND2 N 15 112.047 0.013 . 1 . . . . 35 ASN ND2 . 26716 3 113 . 1 1 36 36 ASP H H 1 8.976 0.000 . 1 . . . . 36 ASP H . 26716 3 114 . 1 1 36 36 ASP CA C 13 57.281 0.031 . 1 . . . . 36 ASP CA . 26716 3 115 . 1 1 36 36 ASP N N 15 121.480 0.000 . 1 . . . . 36 ASP N . 26716 3 116 . 1 1 37 37 ASN H H 1 7.414 0.000 . 1 . . . . 37 ASN H . 26716 3 117 . 1 1 37 37 ASN HD21 H 1 6.647 0.000 . 1 . . . . 37 ASN HD21 . 26716 3 118 . 1 1 37 37 ASN HD22 H 1 6.226 0.000 . 1 . . . . 37 ASN HD22 . 26716 3 119 . 1 1 37 37 ASN CA C 13 53.969 0.013 . 1 . . . . 37 ASN CA . 26716 3 120 . 1 1 37 37 ASN N N 15 115.063 0.005 . 1 . . . . 37 ASN N . 26716 3 121 . 1 1 37 37 ASN ND2 N 15 114.200 0.034 . 1 . . . . 37 ASN ND2 . 26716 3 122 . 1 1 38 38 GLY H H 1 7.935 0.000 . 1 . . . . 38 GLY H . 26716 3 123 . 1 1 38 38 GLY CA C 13 46.868 0.007 . 1 . . . . 38 GLY CA . 26716 3 124 . 1 1 38 38 GLY N N 15 107.625 0.014 . 1 . . . . 38 GLY N . 26716 3 125 . 1 1 39 39 VAL H H 1 8.220 0.002 . 1 . . . . 39 VAL H . 26716 3 126 . 1 1 39 39 VAL CA C 13 62.091 0.001 . 1 . . . . 39 VAL CA . 26716 3 127 . 1 1 39 39 VAL N N 15 121.394 0.014 . 1 . . . . 39 VAL N . 26716 3 128 . 1 1 40 40 ASP H H 1 8.696 0.002 . 1 . . . . 40 ASP H . 26716 3 129 . 1 1 40 40 ASP CA C 13 52.926 0.010 . 1 . . . . 40 ASP CA . 26716 3 130 . 1 1 40 40 ASP N N 15 127.771 0.007 . 1 . . . . 40 ASP N . 26716 3 131 . 1 1 41 41 GLY H H 1 7.885 0.001 . 1 . . . . 41 GLY H . 26716 3 132 . 1 1 41 41 GLY CA C 13 45.496 0.005 . 1 . . . . 41 GLY CA . 26716 3 133 . 1 1 41 41 GLY N N 15 107.093 0.011 . 1 . . . . 41 GLY N . 26716 3 134 . 1 1 42 42 GLU H H 1 8.355 0.003 . 1 . . . . 42 GLU H . 26716 3 135 . 1 1 42 42 GLU CA C 13 55.629 0.022 . 1 . . . . 42 GLU CA . 26716 3 136 . 1 1 42 42 GLU N N 15 120.723 0.020 . 1 . . . . 42 GLU N . 26716 3 137 . 1 1 43 43 TRP H H 1 9.367 0.003 . 1 . . . . 43 TRP H . 26716 3 138 . 1 1 43 43 TRP HE1 H 1 10.613 0.000 . 1 . . . . 43 TRP HE1 . 26716 3 139 . 1 1 43 43 TRP CA C 13 57.979 0.038 . 1 . . . . 43 TRP CA . 26716 3 140 . 1 1 43 43 TRP N N 15 128.666 0.019 . 1 . . . . 43 TRP N . 26716 3 141 . 1 1 43 43 TRP NE1 N 15 130.986 0.000 . 1 . . . . 43 TRP NE1 . 26716 3 142 . 1 1 44 44 THR H H 1 9.338 0.001 . 1 . . . . 44 THR H . 26716 3 143 . 1 1 44 44 THR CA C 13 60.634 0.002 . 1 . . . . 44 THR CA . 26716 3 144 . 1 1 44 44 THR N N 15 113.712 0.019 . 1 . . . . 44 THR N . 26716 3 145 . 1 1 45 45 TYR H H 1 8.684 0.002 . 1 . . . . 45 TYR H . 26716 3 146 . 1 1 45 45 TYR CA C 13 57.095 0.029 . 1 . . . . 45 TYR CA . 26716 3 147 . 1 1 45 45 TYR N N 15 120.892 0.014 . 1 . . . . 45 TYR N . 26716 3 148 . 1 1 46 46 ASP H H 1 7.702 0.002 . 1 . . . . 46 ASP H . 26716 3 149 . 1 1 46 46 ASP CA C 13 51.996 0.002 . 1 . . . . 46 ASP CA . 26716 3 150 . 1 1 46 46 ASP N N 15 128.354 0.000 . 1 . . . . 46 ASP N . 26716 3 151 . 1 1 47 47 ASP H H 1 8.636 0.000 . 1 . . . . 47 ASP H . 26716 3 152 . 1 1 47 47 ASP CA C 13 56.426 0.011 . 1 . . . . 47 ASP CA . 26716 3 153 . 1 1 47 47 ASP N N 15 125.079 0.010 . 1 . . . . 47 ASP N . 26716 3 154 . 1 1 48 48 ALA H H 1 8.384 0.001 . 1 . . . . 48 ALA H . 26716 3 155 . 1 1 48 48 ALA CA C 13 55.163 0.027 . 1 . . . . 48 ALA CA . 26716 3 156 . 1 1 48 48 ALA N N 15 119.877 0.009 . 1 . . . . 48 ALA N . 26716 3 157 . 1 1 49 49 THR H H 1 7.104 0.003 . 1 . . . . 49 THR H . 26716 3 158 . 1 1 49 49 THR CA C 13 60.543 0.055 . 1 . . . . 49 THR CA . 26716 3 159 . 1 1 49 49 THR N N 15 103.217 0.033 . 1 . . . . 49 THR N . 26716 3 160 . 1 1 50 50 LYS H H 1 7.928 0.001 . 1 . . . . 50 LYS H . 26716 3 161 . 1 1 50 50 LYS CA C 13 56.607 0.019 . 1 . . . . 50 LYS CA . 26716 3 162 . 1 1 50 50 LYS N N 15 122.787 0.045 . 1 . . . . 50 LYS N . 26716 3 163 . 1 1 51 51 THR H H 1 7.473 0.003 . 1 . . . . 51 THR H . 26716 3 164 . 1 1 51 51 THR CA C 13 62.517 0.004 . 1 . . . . 51 THR CA . 26716 3 165 . 1 1 51 51 THR N N 15 111.335 0.042 . 1 . . . . 51 THR N . 26716 3 166 . 1 1 52 52 PHE H H 1 10.435 0.003 . 1 . . . . 52 PHE H . 26716 3 167 . 1 1 52 52 PHE CA C 13 57.237 0.016 . 1 . . . . 52 PHE CA . 26716 3 168 . 1 1 52 52 PHE N N 15 130.675 0.021 . 1 . . . . 52 PHE N . 26716 3 169 . 1 1 53 53 THR H H 1 9.096 0.003 . 1 . . . . 53 THR H . 26716 3 170 . 1 1 53 53 THR CA C 13 61.585 0.037 . 1 . . . . 53 THR CA . 26716 3 171 . 1 1 53 53 THR N N 15 116.934 0.011 . 1 . . . . 53 THR N . 26716 3 172 . 1 1 54 54 VAL H H 1 8.232 0.003 . 1 . . . . 54 VAL H . 26716 3 173 . 1 1 54 54 VAL CA C 13 58.189 0.035 . 1 . . . . 54 VAL CA . 26716 3 174 . 1 1 54 54 VAL N N 15 123.015 0.008 . 1 . . . . 54 VAL N . 26716 3 175 . 1 1 55 55 THR H H 1 8.402 0.001 . 1 . . . . 55 THR H . 26716 3 176 . 1 1 55 55 THR CA C 13 61.472 0.023 . 1 . . . . 55 THR CA . 26716 3 177 . 1 1 55 55 THR N N 15 123.952 0.005 . 1 . . . . 55 THR N . 26716 3 178 . 1 1 56 56 GLU H H 1 7.830 0.001 . 1 . . . . 56 GLU H . 26716 3 179 . 1 1 56 56 GLU CA C 13 58.262 0.000 . 1 . . . . 56 GLU CA . 26716 3 180 . 1 1 56 56 GLU N N 15 133.466 0.022 . 1 . . . . 56 GLU N . 26716 3 stop_ save_ save_50%_IL_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode 50%_IL_chemical_shifts _Assigned_chem_shift_list.Entry_ID 26716 _Assigned_chem_shift_list.ID 4 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _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-15N HSQC' . . . 26716 4 2 '3D HNCA' . . . 26716 4 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET CA C 13 54.954 0.000 . 1 . . . . 1 MET CA . 26716 4 2 . 1 1 2 2 GLN H H 1 8.509 0.000 . 1 . . . . 2 GLN H . 26716 4 3 . 1 1 2 2 GLN CA C 13 56.136 0.030 . 1 . . . . 2 GLN CA . 26716 4 4 . 1 1 2 2 GLN N N 15 124.425 0.030 . 1 . . . . 2 GLN N . 26716 4 5 . 1 1 3 3 TYR H H 1 9.236 0.003 . 1 . . . . 3 TYR H . 26716 4 6 . 1 1 3 3 TYR CA C 13 57.501 0.000 . 1 . . . . 3 TYR CA . 26716 4 7 . 1 1 3 3 TYR N N 15 122.668 0.019 . 1 . . . . 3 TYR N . 26716 4 8 . 1 1 4 4 LYS H H 1 9.473 0.000 . 1 . . . . 4 LYS H . 26716 4 9 . 1 1 4 4 LYS CA C 13 55.451 0.010 . 1 . . . . 4 LYS CA . 26716 4 10 . 1 1 4 4 LYS N N 15 122.453 0.000 . 1 . . . . 4 LYS N . 26716 4 11 . 1 1 5 5 LEU H H 1 8.983 0.002 . 1 . . . . 5 LEU H . 26716 4 12 . 1 1 5 5 LEU CA C 13 53.343 0.000 . 1 . . . . 5 LEU CA . 26716 4 13 . 1 1 5 5 LEU N N 15 126.471 0.031 . 1 . . . . 5 LEU N . 26716 4 14 . 1 1 6 6 ILE H H 1 9.354 0.001 . 1 . . . . 6 ILE H . 26716 4 15 . 1 1 6 6 ILE CA C 13 60.689 0.038 . 1 . . . . 6 ILE CA . 26716 4 16 . 1 1 6 6 ILE N N 15 126.160 0.064 . 1 . . . . 6 ILE N . 26716 4 17 . 1 1 7 7 LEU H H 1 9.145 0.000 . 1 . . . . 7 LEU H . 26716 4 18 . 1 1 7 7 LEU CA C 13 54.715 0.099 . 1 . . . . 7 LEU CA . 26716 4 19 . 1 1 7 7 LEU N N 15 127.074 0.005 . 1 . . . . 7 LEU N . 26716 4 20 . 1 1 8 8 ASN H H 1 9.146 0.002 . 1 . . . . 8 ASN H . 26716 4 21 . 1 1 8 8 ASN HD21 H 1 7.553 0.000 . 1 . . . . 8 ASN HD21 . 26716 4 22 . 1 1 8 8 ASN HD22 H 1 7.084 0.000 . 1 . . . . 8 ASN HD22 . 26716 4 23 . 1 1 8 8 ASN CA C 13 51.394 0.055 . 1 . . . . 8 ASN CA . 26716 4 24 . 1 1 8 8 ASN N N 15 126.008 0.023 . 1 . . . . 8 ASN N . 26716 4 25 . 1 1 8 8 ASN ND2 N 15 111.922 0.006 . 1 . . . . 8 ASN ND2 . 26716 4 26 . 1 1 9 9 GLY H H 1 8.091 0.010 . 1 . . . . 9 GLY H . 26716 4 27 . 1 1 9 9 GLY CA C 13 45.028 0.004 . 1 . . . . 9 GLY CA . 26716 4 28 . 1 1 9 9 GLY N N 15 109.500 0.030 . 1 . . . . 9 GLY N . 26716 4 29 . 1 1 10 10 LYS H H 1 9.716 0.002 . 1 . . . . 10 LYS H . 26716 4 30 . 1 1 10 10 LYS CA C 13 59.252 0.005 . 1 . . . . 10 LYS CA . 26716 4 31 . 1 1 10 10 LYS N N 15 120.781 0.024 . 1 . . . . 10 LYS N . 26716 4 32 . 1 1 11 11 THR H H 1 8.955 0.004 . 1 . . . . 11 THR H . 26716 4 33 . 1 1 11 11 THR CA C 13 62.208 0.006 . 1 . . . . 11 THR CA . 26716 4 34 . 1 1 11 11 THR N N 15 108.045 0.052 . 1 . . . . 11 THR N . 26716 4 35 . 1 1 12 12 LEU H H 1 7.533 0.006 . 1 . . . . 12 LEU H . 26716 4 36 . 1 1 12 12 LEU CA C 13 55.336 0.006 . 1 . . . . 12 LEU CA . 26716 4 37 . 1 1 12 12 LEU N N 15 124.078 0.039 . 1 . . . . 12 LEU N . 26716 4 38 . 1 1 13 13 LYS H H 1 8.267 0.001 . 1 . . . . 13 LYS H . 26716 4 39 . 1 1 13 13 LYS CA C 13 54.064 0.010 . 1 . . . . 13 LYS CA . 26716 4 40 . 1 1 13 13 LYS N N 15 122.772 0.045 . 1 . . . . 13 LYS N . 26716 4 41 . 1 1 14 14 GLY H H 1 8.704 0.003 . 1 . . . . 14 GLY H . 26716 4 42 . 1 1 14 14 GLY CA C 13 45.874 0.006 . 1 . . . . 14 GLY CA . 26716 4 43 . 1 1 14 14 GLY N N 15 107.969 0.031 . 1 . . . . 14 GLY N . 26716 4 44 . 1 1 15 15 GLU H H 1 8.712 0.004 . 1 . . . . 15 GLU H . 26716 4 45 . 1 1 15 15 GLU CA C 13 54.655 0.000 . 1 . . . . 15 GLU CA . 26716 4 46 . 1 1 15 15 GLU N N 15 119.431 0.007 . 1 . . . . 15 GLU N . 26716 4 47 . 1 1 16 16 THR H H 1 9.119 0.002 . 1 . . . . 16 THR H . 26716 4 48 . 1 1 16 16 THR CA C 13 60.984 0.024 . 1 . . . . 16 THR CA . 26716 4 49 . 1 1 16 16 THR N N 15 116.224 0.000 . 1 . . . . 16 THR N . 26716 4 50 . 1 1 17 17 THR H H 1 8.494 0.002 . 1 . . . . 17 THR H . 26716 4 51 . 1 1 17 17 THR CA C 13 60.292 0.000 . 1 . . . . 17 THR CA . 26716 4 52 . 1 1 17 17 THR N N 15 113.005 0.025 . 1 . . . . 17 THR N . 26716 4 53 . 1 1 18 18 THR H H 1 9.131 0.000 . 1 . . . . 18 THR H . 26716 4 54 . 1 1 18 18 THR CA C 13 62.373 0.020 . 1 . . . . 18 THR CA . 26716 4 55 . 1 1 18 18 THR N N 15 112.716 0.037 . 1 . . . . 18 THR N . 26716 4 56 . 1 1 19 19 GLU H H 1 8.073 0.003 . 1 . . . . 19 GLU H . 26716 4 57 . 1 1 19 19 GLU CA C 13 55.057 0.078 . 1 . . . . 19 GLU CA . 26716 4 58 . 1 1 19 19 GLU N N 15 126.052 0.023 . 1 . . . . 19 GLU N . 26716 4 59 . 1 1 20 20 ALA H H 1 9.489 0.001 . 1 . . . . 20 ALA H . 26716 4 60 . 1 1 20 20 ALA CA C 13 51.424 0.018 . 1 . . . . 20 ALA CA . 26716 4 61 . 1 1 20 20 ALA N N 15 125.909 0.030 . 1 . . . . 20 ALA N . 26716 4 62 . 1 1 21 21 VAL H H 1 8.870 0.000 . 1 . . . . 21 VAL H . 26716 4 63 . 1 1 21 21 VAL CA C 13 64.189 0.000 . 1 . . . . 21 VAL CA . 26716 4 64 . 1 1 21 21 VAL N N 15 117.804 0.021 . 1 . . . . 21 VAL N . 26716 4 65 . 1 1 22 22 ASP H H 1 7.582 0.000 . 1 . . . . 22 ASP H . 26716 4 66 . 1 1 22 22 ASP CA C 13 52.993 0.000 . 1 . . . . 22 ASP CA . 26716 4 67 . 1 1 22 22 ASP N N 15 114.991 0.000 . 1 . . . . 22 ASP N . 26716 4 68 . 1 1 23 23 ALA H H 1 8.557 0.000 . 1 . . . . 23 ALA H . 26716 4 69 . 1 1 23 23 ALA CA C 13 54.982 0.055 . 1 . . . . 23 ALA CA . 26716 4 70 . 1 1 23 23 ALA N N 15 122.462 0.022 . 1 . . . . 23 ALA N . 26716 4 71 . 1 1 24 24 ALA H H 1 8.402 0.000 . 1 . . . . 24 ALA H . 26716 4 72 . 1 1 24 24 ALA CA C 13 55.062 0.006 . 1 . . . . 24 ALA CA . 26716 4 73 . 1 1 24 24 ALA N N 15 121.347 0.000 . 1 . . . . 24 ALA N . 26716 4 74 . 1 1 25 25 THR H H 1 8.655 0.001 . 1 . . . . 25 THR H . 26716 4 75 . 1 1 25 25 THR CA C 13 67.687 0.000 . 1 . . . . 25 THR CA . 26716 4 76 . 1 1 25 25 THR N N 15 117.073 0.021 . 1 . . . . 25 THR N . 26716 4 77 . 1 1 26 26 ALA H H 1 7.505 0.004 . 1 . . . . 26 ALA H . 26716 4 78 . 1 1 26 26 ALA CA C 13 55.347 0.000 . 1 . . . . 26 ALA CA . 26716 4 79 . 1 1 26 26 ALA N N 15 123.501 0.010 . 1 . . . . 26 ALA N . 26716 4 80 . 1 1 27 27 GLU H H 1 8.444 0.000 . 1 . . . . 27 GLU H . 26716 4 81 . 1 1 27 27 GLU CA C 13 59.870 0.003 . 1 . . . . 27 GLU CA . 26716 4 82 . 1 1 27 27 GLU N N 15 116.486 0.000 . 1 . . . . 27 GLU N . 26716 4 83 . 1 1 28 28 LYS H H 1 7.289 0.000 . 1 . . . . 28 LYS H . 26716 4 84 . 1 1 28 28 LYS CA C 13 59.901 0.045 . 1 . . . . 28 LYS CA . 26716 4 85 . 1 1 28 28 LYS N N 15 117.156 0.005 . 1 . . . . 28 LYS N . 26716 4 86 . 1 1 29 29 VAL H H 1 7.834 0.000 . 1 . . . . 29 VAL H . 26716 4 87 . 1 1 29 29 VAL CA C 13 66.309 0.000 . 1 . . . . 29 VAL CA . 26716 4 88 . 1 1 29 29 VAL N N 15 119.742 0.099 . 1 . . . . 29 VAL N . 26716 4 89 . 1 1 30 30 PHE H H 1 8.829 0.000 . 1 . . . . 30 PHE H . 26716 4 90 . 1 1 30 30 PHE CA C 13 57.578 0.077 . 1 . . . . 30 PHE CA . 26716 4 91 . 1 1 30 30 PHE N N 15 119.825 0.015 . 1 . . . . 30 PHE N . 26716 4 92 . 1 1 31 31 LYS H H 1 9.194 0.002 . 1 . . . . 31 LYS H . 26716 4 93 . 1 1 31 31 LYS CA C 13 60.442 0.074 . 1 . . . . 31 LYS CA . 26716 4 94 . 1 1 31 31 LYS N N 15 122.300 0.027 . 1 . . . . 31 LYS N . 26716 4 95 . 1 1 32 32 GLN H H 1 7.947 0.003 . 1 . . . . 32 GLN H . 26716 4 96 . 1 1 32 32 GLN CA C 13 59.376 0.044 . 1 . . . . 32 GLN CA . 26716 4 97 . 1 1 32 32 GLN N N 15 119.743 0.032 . 1 . . . . 32 GLN N . 26716 4 98 . 1 1 33 33 TYR H H 1 8.430 0.001 . 1 . . . . 33 TYR H . 26716 4 99 . 1 1 33 33 TYR CA C 13 61.777 0.000 . 1 . . . . 33 TYR CA . 26716 4 100 . 1 1 33 33 TYR N N 15 120.299 0.084 . 1 . . . . 33 TYR N . 26716 4 101 . 1 1 34 34 ALA H H 1 9.414 0.000 . 1 . . . . 34 ALA H . 26716 4 102 . 1 1 34 34 ALA CA C 13 56.533 0.027 . 1 . . . . 34 ALA CA . 26716 4 103 . 1 1 34 34 ALA N N 15 122.679 0.000 . 1 . . . . 34 ALA N . 26716 4 104 . 1 1 35 35 ASN H H 1 8.767 0.002 . 1 . . . . 35 ASN H . 26716 4 105 . 1 1 35 35 ASN HD21 H 1 7.997 0.000 . 1 . . . . 35 ASN HD21 . 26716 4 106 . 1 1 35 35 ASN HD22 H 1 7.305 0.000 . 1 . . . . 35 ASN HD22 . 26716 4 107 . 1 1 35 35 ASN CA C 13 57.341 0.003 . 1 . . . . 35 ASN CA . 26716 4 108 . 1 1 35 35 ASN N N 15 118.198 0.022 . 1 . . . . 35 ASN N . 26716 4 109 . 1 1 35 35 ASN ND2 N 15 112.208 0.002 . 1 . . . . 35 ASN ND2 . 26716 4 110 . 1 1 36 36 ASP H H 1 9.124 0.002 . 1 . . . . 36 ASP H . 26716 4 111 . 1 1 36 36 ASP CA C 13 57.399 0.018 . 1 . . . . 36 ASP CA . 26716 4 112 . 1 1 36 36 ASP N N 15 121.365 0.000 . 1 . . . . 36 ASP N . 26716 4 113 . 1 1 37 37 ASN H H 1 7.565 0.001 . 1 . . . . 37 ASN H . 26716 4 114 . 1 1 37 37 ASN HD21 H 1 6.751 0.000 . 1 . . . . 37 ASN HD21 . 26716 4 115 . 1 1 37 37 ASN HD22 H 1 6.174 0.000 . 1 . . . . 37 ASN HD22 . 26716 4 116 . 1 1 37 37 ASN CA C 13 54.115 0.000 . 1 . . . . 37 ASN CA . 26716 4 117 . 1 1 37 37 ASN N N 15 114.744 0.114 . 1 . . . . 37 ASN N . 26716 4 118 . 1 1 37 37 ASN ND2 N 15 114.175 0.013 . 1 . . . . 37 ASN ND2 . 26716 4 119 . 1 1 38 38 GLY H H 1 8.153 0.002 . 1 . . . . 38 GLY H . 26716 4 120 . 1 1 38 38 GLY CA C 13 47.023 0.001 . 1 . . . . 38 GLY CA . 26716 4 121 . 1 1 38 38 GLY N N 15 107.321 0.000 . 1 . . . . 38 GLY N . 26716 4 122 . 1 1 39 39 VAL H H 1 8.430 0.007 . 1 . . . . 39 VAL H . 26716 4 123 . 1 1 39 39 VAL CA C 13 62.210 0.028 . 1 . . . . 39 VAL CA . 26716 4 124 . 1 1 39 39 VAL N N 15 121.468 0.017 . 1 . . . . 39 VAL N . 26716 4 125 . 1 1 40 40 ASP H H 1 8.861 0.001 . 1 . . . . 40 ASP H . 26716 4 126 . 1 1 40 40 ASP CA C 13 53.075 0.017 . 1 . . . . 40 ASP CA . 26716 4 127 . 1 1 40 40 ASP N N 15 127.523 0.006 . 1 . . . . 40 ASP N . 26716 4 128 . 1 1 41 41 GLY H H 1 8.150 0.003 . 1 . . . . 41 GLY H . 26716 4 129 . 1 1 41 41 GLY CA C 13 45.653 0.009 . 1 . . . . 41 GLY CA . 26716 4 130 . 1 1 41 41 GLY N N 15 107.153 0.016 . 1 . . . . 41 GLY N . 26716 4 131 . 1 1 42 42 GLU H H 1 8.602 0.003 . 1 . . . . 42 GLU H . 26716 4 132 . 1 1 42 42 GLU CA C 13 55.644 0.000 . 1 . . . . 42 GLU CA . 26716 4 133 . 1 1 42 42 GLU N N 15 120.500 0.014 . 1 . . . . 42 GLU N . 26716 4 134 . 1 1 43 43 TRP H H 1 9.551 0.001 . 1 . . . . 43 TRP H . 26716 4 135 . 1 1 43 43 TRP HE1 H 1 10.829 0.000 . 1 . . . . 43 TRP HE1 . 26716 4 136 . 1 1 43 43 TRP CA C 13 58.147 0.037 . 1 . . . . 43 TRP CA . 26716 4 137 . 1 1 43 43 TRP N N 15 129.181 0.024 . 1 . . . . 43 TRP N . 26716 4 138 . 1 1 43 43 TRP NE1 N 15 131.301 0.000 . 1 . . . . 43 TRP NE1 . 26716 4 139 . 1 1 44 44 THR H H 1 9.455 0.004 . 1 . . . . 44 THR H . 26716 4 140 . 1 1 44 44 THR CA C 13 60.795 0.028 . 1 . . . . 44 THR CA . 26716 4 141 . 1 1 44 44 THR N N 15 112.746 0.025 . 1 . . . . 44 THR N . 26716 4 142 . 1 1 45 45 TYR H H 1 8.883 0.003 . 1 . . . . 45 TYR H . 26716 4 143 . 1 1 45 45 TYR CA C 13 57.424 0.000 . 1 . . . . 45 TYR CA . 26716 4 144 . 1 1 45 45 TYR N N 15 121.155 0.029 . 1 . . . . 45 TYR N . 26716 4 145 . 1 1 46 46 ASP H H 1 7.855 0.006 . 1 . . . . 46 ASP H . 26716 4 146 . 1 1 46 46 ASP CA C 13 52.184 0.081 . 1 . . . . 46 ASP CA . 26716 4 147 . 1 1 46 46 ASP N N 15 128.184 0.023 . 1 . . . . 46 ASP N . 26716 4 148 . 1 1 47 47 ASP H H 1 8.836 0.002 . 1 . . . . 47 ASP H . 26716 4 149 . 1 1 47 47 ASP CA C 13 56.595 0.010 . 1 . . . . 47 ASP CA . 26716 4 150 . 1 1 47 47 ASP N N 15 125.275 0.056 . 1 . . . . 47 ASP N . 26716 4 151 . 1 1 48 48 ALA H H 1 8.543 0.001 . 1 . . . . 48 ALA H . 26716 4 152 . 1 1 48 48 ALA CA C 13 55.369 0.000 . 1 . . . . 48 ALA CA . 26716 4 153 . 1 1 48 48 ALA N N 15 119.716 0.017 . 1 . . . . 48 ALA N . 26716 4 154 . 1 1 49 49 THR H H 1 7.290 0.000 . 1 . . . . 49 THR H . 26716 4 155 . 1 1 49 49 THR CA C 13 60.726 0.063 . 1 . . . . 49 THR CA . 26716 4 156 . 1 1 49 49 THR N N 15 102.866 0.010 . 1 . . . . 49 THR N . 26716 4 157 . 1 1 50 50 LYS H H 1 8.090 0.004 . 1 . . . . 50 LYS H . 26716 4 158 . 1 1 50 50 LYS CA C 13 56.452 0.000 . 1 . . . . 50 LYS CA . 26716 4 159 . 1 1 50 50 LYS N N 15 122.324 0.041 . 1 . . . . 50 LYS N . 26716 4 160 . 1 1 51 51 THR H H 1 7.681 0.000 . 1 . . . . 51 THR H . 26716 4 161 . 1 1 51 51 THR CA C 13 62.797 0.000 . 1 . . . . 51 THR CA . 26716 4 162 . 1 1 51 51 THR N N 15 111.584 0.021 . 1 . . . . 51 THR N . 26716 4 163 . 1 1 52 52 PHE H H 1 10.571 0.000 . 1 . . . . 52 PHE H . 26716 4 164 . 1 1 52 52 PHE CA C 13 57.464 0.088 . 1 . . . . 52 PHE CA . 26716 4 165 . 1 1 52 52 PHE N N 15 130.345 0.043 . 1 . . . . 52 PHE N . 26716 4 166 . 1 1 53 53 THR H H 1 9.199 0.009 . 1 . . . . 53 THR H . 26716 4 167 . 1 1 53 53 THR CA C 13 61.608 0.000 . 1 . . . . 53 THR CA . 26716 4 168 . 1 1 53 53 THR N N 15 116.552 0.140 . 1 . . . . 53 THR N . 26716 4 169 . 1 1 54 54 VAL H H 1 8.400 0.000 . 1 . . . . 54 VAL H . 26716 4 170 . 1 1 54 54 VAL CA C 13 58.401 0.028 . 1 . . . . 54 VAL CA . 26716 4 171 . 1 1 54 54 VAL N N 15 122.654 0.000 . 1 . . . . 54 VAL N . 26716 4 172 . 1 1 55 55 THR H H 1 8.581 0.002 . 1 . . . . 55 THR H . 26716 4 173 . 1 1 55 55 THR CA C 13 61.600 0.029 . 1 . . . . 55 THR CA . 26716 4 174 . 1 1 55 55 THR N N 15 124.067 0.037 . 1 . . . . 55 THR N . 26716 4 175 . 1 1 56 56 GLU H H 1 7.968 0.004 . 1 . . . . 56 GLU H . 26716 4 176 . 1 1 56 56 GLU CA C 13 58.336 0.000 . 1 . . . . 56 GLU CA . 26716 4 177 . 1 1 56 56 GLU N N 15 132.965 0.011 . 1 . . . . 56 GLU N . 26716 4 stop_ save_ save_KBr_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode KBr_chemical_shifts _Assigned_chem_shift_list.Entry_ID 26716 _Assigned_chem_shift_list.ID 5 _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-15N HSQC' . . . 26716 5 2 '3D HNCA' . . . 26716 5 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET CA C 13 55.182 0.000 . 1 . . . . 1 MET CA . 26716 5 2 . 1 1 2 2 GLN H H 1 8.486 0.000 . 1 . . . . 2 GLN H . 26716 5 3 . 1 1 2 2 GLN CA C 13 56.175 0.000 . 1 . . . . 2 GLN CA . 26716 5 4 . 1 1 2 2 GLN N N 15 124.045 0.010 . 1 . . . . 2 GLN N . 26716 5 5 . 1 1 3 3 TYR H H 1 9.286 0.002 . 1 . . . . 3 TYR H . 26716 5 6 . 1 1 3 3 TYR CA C 13 57.450 0.000 . 1 . . . . 3 TYR CA . 26716 5 7 . 1 1 3 3 TYR N N 15 124.761 0.015 . 1 . . . . 3 TYR N . 26716 5 8 . 1 1 4 4 LYS H H 1 9.260 0.003 . 1 . . . . 4 LYS H . 26716 5 9 . 1 1 4 4 LYS CA C 13 55.515 0.000 . 1 . . . . 4 LYS CA . 26716 5 10 . 1 1 4 4 LYS N N 15 122.343 0.008 . 1 . . . . 4 LYS N . 26716 5 11 . 1 1 5 5 LEU H H 1 8.821 0.002 . 1 . . . . 5 LEU H . 26716 5 12 . 1 1 5 5 LEU CA C 13 53.032 0.000 . 1 . . . . 5 LEU CA . 26716 5 13 . 1 1 5 5 LEU N N 15 126.330 0.009 . 1 . . . . 5 LEU N . 26716 5 14 . 1 1 6 6 ILE H H 1 9.279 0.002 . 1 . . . . 6 ILE H . 26716 5 15 . 1 1 6 6 ILE CA C 13 60.451 0.000 . 1 . . . . 6 ILE CA . 26716 5 16 . 1 1 6 6 ILE N N 15 126.496 0.028 . 1 . . . . 6 ILE N . 26716 5 17 . 1 1 7 7 LEU H H 1 8.853 0.002 . 1 . . . . 7 LEU H . 26716 5 18 . 1 1 7 7 LEU CA C 13 54.648 0.000 . 1 . . . . 7 LEU CA . 26716 5 19 . 1 1 7 7 LEU N N 15 126.002 0.020 . 1 . . . . 7 LEU N . 26716 5 20 . 1 1 8 8 ASN H H 1 9.075 0.002 . 1 . . . . 8 ASN H . 26716 5 21 . 1 1 8 8 ASN CA C 13 51.493 0.000 . 1 . . . . 8 ASN CA . 26716 5 22 . 1 1 8 8 ASN N N 15 126.109 0.013 . 1 . . . . 8 ASN N . 26716 5 23 . 1 1 9 9 GLY H H 1 8.125 0.002 . 1 . . . . 9 GLY H . 26716 5 24 . 1 1 9 9 GLY CA C 13 45.070 0.000 . 1 . . . . 9 GLY CA . 26716 5 25 . 1 1 9 9 GLY N N 15 109.667 0.015 . 1 . . . . 9 GLY N . 26716 5 26 . 1 1 10 10 LYS H H 1 9.446 0.001 . 1 . . . . 10 LYS H . 26716 5 27 . 1 1 10 10 LYS CA C 13 59.293 0.000 . 1 . . . . 10 LYS CA . 26716 5 28 . 1 1 10 10 LYS N N 15 121.263 0.012 . 1 . . . . 10 LYS N . 26716 5 29 . 1 1 11 11 THR H H 1 8.854 0.000 . 1 . . . . 11 THR H . 26716 5 30 . 1 1 11 11 THR CA C 13 62.133 0.000 . 1 . . . . 11 THR CA . 26716 5 31 . 1 1 11 11 THR N N 15 108.840 0.012 . 1 . . . . 11 THR N . 26716 5 32 . 1 1 12 12 LEU H H 1 7.470 0.002 . 1 . . . . 12 LEU H . 26716 5 33 . 1 1 12 12 LEU CA C 13 55.599 0.016 . 1 . . . . 12 LEU CA . 26716 5 34 . 1 1 12 12 LEU N N 15 124.837 0.011 . 1 . . . . 12 LEU N . 26716 5 35 . 1 1 13 13 LYS H H 1 8.280 0.001 . 1 . . . . 13 LYS H . 26716 5 36 . 1 1 13 13 LYS CA C 13 54.345 0.010 . 1 . . . . 13 LYS CA . 26716 5 37 . 1 1 13 13 LYS N N 15 124.461 0.060 . 1 . . . . 13 LYS N . 26716 5 38 . 1 1 14 14 GLY H H 1 8.585 0.000 . 1 . . . . 14 GLY H . 26716 5 39 . 1 1 14 14 GLY CA C 13 45.664 0.000 . 1 . . . . 14 GLY CA . 26716 5 40 . 1 1 14 14 GLY N N 15 109.855 0.012 . 1 . . . . 14 GLY N . 26716 5 41 . 1 1 15 15 GLU H H 1 8.470 0.001 . 1 . . . . 15 GLU H . 26716 5 42 . 1 1 15 15 GLU CA C 13 54.941 0.003 . 1 . . . . 15 GLU CA . 26716 5 43 . 1 1 15 15 GLU N N 15 119.561 0.034 . 1 . . . . 15 GLU N . 26716 5 44 . 1 1 16 16 THR H H 1 8.914 0.000 . 1 . . . . 16 THR H . 26716 5 45 . 1 1 16 16 THR CA C 13 60.875 0.005 . 1 . . . . 16 THR CA . 26716 5 46 . 1 1 16 16 THR N N 15 116.305 0.017 . 1 . . . . 16 THR N . 26716 5 47 . 1 1 17 17 THR H H 1 8.252 0.001 . 1 . . . . 17 THR H . 26716 5 48 . 1 1 17 17 THR CA C 13 60.155 0.010 . 1 . . . . 17 THR CA . 26716 5 49 . 1 1 17 17 THR N N 15 112.359 0.028 . 1 . . . . 17 THR N . 26716 5 50 . 1 1 18 18 THR H H 1 9.154 0.000 . 1 . . . . 18 THR H . 26716 5 51 . 1 1 18 18 THR CA C 13 62.708 0.034 . 1 . . . . 18 THR CA . 26716 5 52 . 1 1 18 18 THR N N 15 114.863 0.049 . 1 . . . . 18 THR N . 26716 5 53 . 1 1 19 19 GLU H H 1 8.084 0.000 . 1 . . . . 19 GLU H . 26716 5 54 . 1 1 19 19 GLU CA C 13 54.842 0.013 . 1 . . . . 19 GLU CA . 26716 5 55 . 1 1 19 19 GLU N N 15 126.133 0.028 . 1 . . . . 19 GLU N . 26716 5 56 . 1 1 20 20 ALA H H 1 9.451 0.001 . 1 . . . . 20 ALA H . 26716 5 57 . 1 1 20 20 ALA CA C 13 51.286 0.008 . 1 . . . . 20 ALA CA . 26716 5 58 . 1 1 20 20 ALA N N 15 126.774 0.077 . 1 . . . . 20 ALA N . 26716 5 59 . 1 1 21 21 VAL H H 1 8.514 0.000 . 1 . . . . 21 VAL H . 26716 5 60 . 1 1 21 21 VAL CA C 13 63.827 0.034 . 1 . . . . 21 VAL CA . 26716 5 61 . 1 1 21 21 VAL N N 15 116.259 0.029 . 1 . . . . 21 VAL N . 26716 5 62 . 1 1 22 22 ASP H H 1 7.516 0.002 . 1 . . . . 22 ASP H . 26716 5 63 . 1 1 22 22 ASP CA C 13 52.878 0.014 . 1 . . . . 22 ASP CA . 26716 5 64 . 1 1 22 22 ASP N N 15 115.346 0.015 . 1 . . . . 22 ASP N . 26716 5 65 . 1 1 23 23 ALA H H 1 8.353 0.000 . 1 . . . . 23 ALA H . 26716 5 66 . 1 1 23 23 ALA CA C 13 54.921 0.017 . 1 . . . . 23 ALA CA . 26716 5 67 . 1 1 23 23 ALA N N 15 122.085 0.011 . 1 . . . . 23 ALA N . 26716 5 68 . 1 1 24 24 ALA H H 1 8.174 0.001 . 1 . . . . 24 ALA H . 26716 5 69 . 1 1 24 24 ALA CA C 13 55.091 0.006 . 1 . . . . 24 ALA CA . 26716 5 70 . 1 1 24 24 ALA N N 15 120.939 0.000 . 1 . . . . 24 ALA N . 26716 5 71 . 1 1 25 25 THR H H 1 8.466 0.002 . 1 . . . . 25 THR H . 26716 5 72 . 1 1 25 25 THR CA C 13 67.177 0.053 . 1 . . . . 25 THR CA . 26716 5 73 . 1 1 25 25 THR N N 15 116.630 0.019 . 1 . . . . 25 THR N . 26716 5 74 . 1 1 26 26 ALA H H 1 7.372 0.001 . 1 . . . . 26 ALA H . 26716 5 75 . 1 1 26 26 ALA CA C 13 55.154 0.017 . 1 . . . . 26 ALA CA . 26716 5 76 . 1 1 26 26 ALA N N 15 123.645 0.035 . 1 . . . . 26 ALA N . 26716 5 77 . 1 1 27 27 GLU H H 1 8.470 0.002 . 1 . . . . 27 GLU H . 26716 5 78 . 1 1 27 27 GLU CA C 13 59.941 0.001 . 1 . . . . 27 GLU CA . 26716 5 79 . 1 1 27 27 GLU N N 15 116.512 0.112 . 1 . . . . 27 GLU N . 26716 5 80 . 1 1 28 28 LYS H H 1 7.166 0.000 . 1 . . . . 28 LYS H . 26716 5 81 . 1 1 28 28 LYS CA C 13 60.011 0.005 . 1 . . . . 28 LYS CA . 26716 5 82 . 1 1 28 28 LYS N N 15 117.330 0.000 . 1 . . . . 28 LYS N . 26716 5 83 . 1 1 29 29 VAL H H 1 7.525 0.001 . 1 . . . . 29 VAL H . 26716 5 84 . 1 1 29 29 VAL CA C 13 66.248 0.011 . 1 . . . . 29 VAL CA . 26716 5 85 . 1 1 29 29 VAL N N 15 120.733 0.037 . 1 . . . . 29 VAL N . 26716 5 86 . 1 1 30 30 PHE H H 1 8.694 0.001 . 1 . . . . 30 PHE H . 26716 5 87 . 1 1 30 30 PHE CA C 13 56.814 0.037 . 1 . . . . 30 PHE CA . 26716 5 88 . 1 1 30 30 PHE N N 15 120.985 0.148 . 1 . . . . 30 PHE N . 26716 5 89 . 1 1 31 31 LYS H H 1 9.276 0.000 . 1 . . . . 31 LYS H . 26716 5 90 . 1 1 31 31 LYS CA C 13 60.284 0.002 . 1 . . . . 31 LYS CA . 26716 5 91 . 1 1 31 31 LYS N N 15 123.440 0.006 . 1 . . . . 31 LYS N . 26716 5 92 . 1 1 32 32 GLN H H 1 7.681 0.001 . 1 . . . . 32 GLN H . 26716 5 93 . 1 1 32 32 GLN CA C 13 59.109 0.017 . 1 . . . . 32 GLN CA . 26716 5 94 . 1 1 32 32 GLN N N 15 119.860 0.012 . 1 . . . . 32 GLN N . 26716 5 95 . 1 1 33 33 TYR H H 1 8.405 0.001 . 1 . . . . 33 TYR H . 26716 5 96 . 1 1 33 33 TYR CA C 13 62.153 0.005 . 1 . . . . 33 TYR CA . 26716 5 97 . 1 1 33 33 TYR N N 15 121.467 0.007 . 1 . . . . 33 TYR N . 26716 5 98 . 1 1 34 34 ALA H H 1 9.419 0.000 . 1 . . . . 34 ALA H . 26716 5 99 . 1 1 34 34 ALA CA C 13 56.489 0.008 . 1 . . . . 34 ALA CA . 26716 5 100 . 1 1 34 34 ALA N N 15 123.002 0.096 . 1 . . . . 34 ALA N . 26716 5 101 . 1 1 35 35 ASN H H 1 8.542 0.000 . 1 . . . . 35 ASN H . 26716 5 102 . 1 1 35 35 ASN CA C 13 57.187 0.051 . 1 . . . . 35 ASN CA . 26716 5 103 . 1 1 35 35 ASN N N 15 117.958 0.042 . 1 . . . . 35 ASN N . 26716 5 104 . 1 1 36 36 ASP H H 1 8.997 0.000 . 1 . . . . 36 ASP H . 26716 5 105 . 1 1 36 36 ASP CA C 13 57.082 0.029 . 1 . . . . 36 ASP CA . 26716 5 106 . 1 1 36 36 ASP N N 15 121.523 0.000 . 1 . . . . 36 ASP N . 26716 5 107 . 1 1 37 37 ASN H H 1 7.577 0.000 . 1 . . . . 37 ASN H . 26716 5 108 . 1 1 37 37 ASN CA C 13 54.045 0.010 . 1 . . . . 37 ASN CA . 26716 5 109 . 1 1 37 37 ASN N N 15 115.457 0.009 . 1 . . . . 37 ASN N . 26716 5 110 . 1 1 38 38 GLY H H 1 7.981 0.001 . 1 . . . . 38 GLY H . 26716 5 111 . 1 1 38 38 GLY CA C 13 47.302 0.003 . 1 . . . . 38 GLY CA . 26716 5 112 . 1 1 38 38 GLY N N 15 108.654 0.013 . 1 . . . . 38 GLY N . 26716 5 113 . 1 1 39 39 VAL H H 1 8.278 0.001 . 1 . . . . 39 VAL H . 26716 5 114 . 1 1 39 39 VAL CA C 13 62.126 0.008 . 1 . . . . 39 VAL CA . 26716 5 115 . 1 1 39 39 VAL N N 15 121.163 0.011 . 1 . . . . 39 VAL N . 26716 5 116 . 1 1 40 40 ASP H H 1 8.777 0.000 . 1 . . . . 40 ASP H . 26716 5 117 . 1 1 40 40 ASP CA C 13 52.921 0.018 . 1 . . . . 40 ASP CA . 26716 5 118 . 1 1 40 40 ASP N N 15 127.999 0.050 . 1 . . . . 40 ASP N . 26716 5 119 . 1 1 41 41 GLY H H 1 7.944 0.001 . 1 . . . . 41 GLY H . 26716 5 120 . 1 1 41 41 GLY CA C 13 45.658 0.014 . 1 . . . . 41 GLY CA . 26716 5 121 . 1 1 41 41 GLY N N 15 107.767 0.035 . 1 . . . . 41 GLY N . 26716 5 122 . 1 1 42 42 GLU H H 1 8.398 0.001 . 1 . . . . 42 GLU H . 26716 5 123 . 1 1 42 42 GLU CA C 13 55.583 0.004 . 1 . . . . 42 GLU CA . 26716 5 124 . 1 1 42 42 GLU N N 15 120.525 0.000 . 1 . . . . 42 GLU N . 26716 5 125 . 1 1 43 43 TRP H H 1 9.387 0.002 . 1 . . . . 43 TRP H . 26716 5 126 . 1 1 43 43 TRP CA C 13 58.326 0.008 . 1 . . . . 43 TRP CA . 26716 5 127 . 1 1 43 43 TRP N N 15 128.515 0.018 . 1 . . . . 43 TRP N . 26716 5 128 . 1 1 44 44 THR H H 1 9.399 0.000 . 1 . . . . 44 THR H . 26716 5 129 . 1 1 44 44 THR CA C 13 60.886 0.006 . 1 . . . . 44 THR CA . 26716 5 130 . 1 1 44 44 THR N N 15 115.252 0.008 . 1 . . . . 44 THR N . 26716 5 131 . 1 1 45 45 TYR H H 1 8.678 0.001 . 1 . . . . 45 TYR H . 26716 5 132 . 1 1 45 45 TYR CA C 13 57.013 0.020 . 1 . . . . 45 TYR CA . 26716 5 133 . 1 1 45 45 TYR N N 15 121.826 0.091 . 1 . . . . 45 TYR N . 26716 5 134 . 1 1 46 46 ASP H H 1 7.825 0.001 . 1 . . . . 46 ASP H . 26716 5 135 . 1 1 46 46 ASP CA C 13 52.055 0.015 . 1 . . . . 46 ASP CA . 26716 5 136 . 1 1 46 46 ASP N N 15 128.466 0.007 . 1 . . . . 46 ASP N . 26716 5 137 . 1 1 47 47 ASP H H 1 8.666 0.000 . 1 . . . . 47 ASP H . 26716 5 138 . 1 1 47 47 ASP CA C 13 56.490 0.015 . 1 . . . . 47 ASP CA . 26716 5 139 . 1 1 47 47 ASP N N 15 124.924 0.021 . 1 . . . . 47 ASP N . 26716 5 140 . 1 1 48 48 ALA H H 1 8.421 0.001 . 1 . . . . 48 ALA H . 26716 5 141 . 1 1 48 48 ALA CA C 13 55.207 0.089 . 1 . . . . 48 ALA CA . 26716 5 142 . 1 1 48 48 ALA N N 15 120.453 0.024 . 1 . . . . 48 ALA N . 26716 5 143 . 1 1 49 49 THR H H 1 7.168 0.002 . 1 . . . . 49 THR H . 26716 5 144 . 1 1 49 49 THR CA C 13 60.589 0.058 . 1 . . . . 49 THR CA . 26716 5 145 . 1 1 49 49 THR N N 15 103.504 0.016 . 1 . . . . 49 THR N . 26716 5 146 . 1 1 50 50 LYS H H 1 8.031 0.003 . 1 . . . . 50 LYS H . 26716 5 147 . 1 1 50 50 LYS CA C 13 57.087 0.058 . 1 . . . . 50 LYS CA . 26716 5 148 . 1 1 50 50 LYS N N 15 122.999 0.075 . 1 . . . . 50 LYS N . 26716 5 149 . 1 1 51 51 THR H H 1 7.534 0.004 . 1 . . . . 51 THR H . 26716 5 150 . 1 1 51 51 THR CA C 13 62.406 0.010 . 1 . . . . 51 THR CA . 26716 5 151 . 1 1 51 51 THR N N 15 111.515 0.066 . 1 . . . . 51 THR N . 26716 5 152 . 1 1 52 52 PHE H H 1 10.527 0.000 . 1 . . . . 52 PHE H . 26716 5 153 . 1 1 52 52 PHE CA C 13 57.549 0.017 . 1 . . . . 52 PHE CA . 26716 5 154 . 1 1 52 52 PHE N N 15 130.752 0.000 . 1 . . . . 52 PHE N . 26716 5 155 . 1 1 53 53 THR H H 1 9.278 0.004 . 1 . . . . 53 THR H . 26716 5 156 . 1 1 53 53 THR CA C 13 61.807 0.004 . 1 . . . . 53 THR CA . 26716 5 157 . 1 1 53 53 THR N N 15 117.481 0.006 . 1 . . . . 53 THR N . 26716 5 158 . 1 1 54 54 VAL H H 1 8.426 0.000 . 1 . . . . 54 VAL H . 26716 5 159 . 1 1 54 54 VAL CA C 13 58.406 0.002 . 1 . . . . 54 VAL CA . 26716 5 160 . 1 1 54 54 VAL N N 15 124.173 0.002 . 1 . . . . 54 VAL N . 26716 5 161 . 1 1 55 55 THR H H 1 8.561 0.002 . 1 . . . . 55 THR H . 26716 5 162 . 1 1 55 55 THR CA C 13 61.433 0.012 . 1 . . . . 55 THR CA . 26716 5 163 . 1 1 55 55 THR N N 15 123.599 0.030 . 1 . . . . 55 THR N . 26716 5 164 . 1 1 56 56 GLU H H 1 8.097 0.000 . 1 . . . . 56 GLU H . 26716 5 165 . 1 1 56 56 GLU CA C 13 58.393 0.000 . 1 . . . . 56 GLU CA . 26716 5 166 . 1 1 56 56 GLU N N 15 133.479 0.040 . 1 . . . . 56 GLU N . 26716 5 stop_ save_