data_51959 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51959 _Entry.Title ; minor conformation of s1.1 domain of sA from Bacillus subtilis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-05-10 _Entry.Accession_date 2023-05-10 _Entry.Last_release_date 2023-05-10 _Entry.Original_release_date 2023-05-10 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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 David Tuzincin . . . . 51959 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 51959 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 284 51959 '15N chemical shifts' 150 51959 '1H chemical shifts' 149 51959 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2023-08-18 2023-05-10 update BMRB 'update entry citation' 51959 1 . . 2023-06-09 2023-05-10 original author 'original release' 51959 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 34089 'This entry studied the same protein.' 51959 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51959 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37350110 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Characterisation of a transitionally occupied state and thermal unfolding of domain 1.1 of sA factor of RNA polymerase from Bacillus subtilis ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full . _Citation.Journal_volume 91 _Citation.Journal_issue 9 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1276 _Citation.Page_last 1287 _Citation.Year 2023 _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 David Tuzincin D. . . . 51959 1 2 Petr Padrta P. . . . 51959 1 3 Hana Sanderova H. . . . 51959 1 4 Alzebeta Rabatinova A. . . . 51959 1 5 Katerina Bendova K. . . . 51959 1 6 Libor Krasny L. . . . 51959 1 7 Lukas Zidek L. . . . 51959 1 8 Pavel Kaderavek P. . . . 51959 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51959 _Assembly.ID 1 _Assembly.Name 's1.1 domain of sA factor of RNA polymerase' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states yes _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 sigma1.1 1 $entity_1 . . yes native yes no . . . 51959 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 5mww . . 'solution NMR' . 'minor conformation data' . 51959 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51959 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; ADKQTHETELTFDQVKEQLT ESGKKRGVLTYEEIAERMSS FEIESDQMDEYYEFLGEQGV ELISENEETEDLEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; This protein sequence is a fragment (2-72) of sA primary transcription factor. The initial methionine at position 1 is N-terminally cleaved. Sequence numbering in our case begins with 1 ALA, 2 ASP, ... Residues 72-73 represent non-native residues inserted because of the restriction enzyme (XhoI) used for cloning. Residues 74-79 represent a non-native affinity tag. ; _Entity.Ambiguous_conformational_states yes _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 79 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'domain 1.1 of sA primary transcription factor' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9379.02 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP P06224 . . . . . . . . . . . . . . . . 51959 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ALA . 51959 1 2 . ASP . 51959 1 3 . LYS . 51959 1 4 . GLN . 51959 1 5 . THR . 51959 1 6 . HIS . 51959 1 7 . GLU . 51959 1 8 . THR . 51959 1 9 . GLU . 51959 1 10 . LEU . 51959 1 11 . THR . 51959 1 12 . PHE . 51959 1 13 . ASP . 51959 1 14 . GLN . 51959 1 15 . VAL . 51959 1 16 . LYS . 51959 1 17 . GLU . 51959 1 18 . GLN . 51959 1 19 . LEU . 51959 1 20 . THR . 51959 1 21 . GLU . 51959 1 22 . SER . 51959 1 23 . GLY . 51959 1 24 . LYS . 51959 1 25 . LYS . 51959 1 26 . ARG . 51959 1 27 . GLY . 51959 1 28 . VAL . 51959 1 29 . LEU . 51959 1 30 . THR . 51959 1 31 . TYR . 51959 1 32 . GLU . 51959 1 33 . GLU . 51959 1 34 . ILE . 51959 1 35 . ALA . 51959 1 36 . GLU . 51959 1 37 . ARG . 51959 1 38 . MET . 51959 1 39 . SER . 51959 1 40 . SER . 51959 1 41 . PHE . 51959 1 42 . GLU . 51959 1 43 . ILE . 51959 1 44 . GLU . 51959 1 45 . SER . 51959 1 46 . ASP . 51959 1 47 . GLN . 51959 1 48 . MET . 51959 1 49 . ASP . 51959 1 50 . GLU . 51959 1 51 . TYR . 51959 1 52 . TYR . 51959 1 53 . GLU . 51959 1 54 . PHE . 51959 1 55 . LEU . 51959 1 56 . GLY . 51959 1 57 . GLU . 51959 1 58 . GLN . 51959 1 59 . GLY . 51959 1 60 . VAL . 51959 1 61 . GLU . 51959 1 62 . LEU . 51959 1 63 . ILE . 51959 1 64 . SER . 51959 1 65 . GLU . 51959 1 66 . ASN . 51959 1 67 . GLU . 51959 1 68 . GLU . 51959 1 69 . THR . 51959 1 70 . GLU . 51959 1 71 . ASP . 51959 1 72 . LEU . 51959 1 73 . GLU . 51959 1 74 . HIS . 51959 1 75 . HIS . 51959 1 76 . HIS . 51959 1 77 . HIS . 51959 1 78 . HIS . 51959 1 79 . HIS . 51959 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 . ALA 1 1 51959 1 . ASP 2 2 51959 1 . LYS 3 3 51959 1 . GLN 4 4 51959 1 . THR 5 5 51959 1 . HIS 6 6 51959 1 . GLU 7 7 51959 1 . THR 8 8 51959 1 . GLU 9 9 51959 1 . LEU 10 10 51959 1 . THR 11 11 51959 1 . PHE 12 12 51959 1 . ASP 13 13 51959 1 . GLN 14 14 51959 1 . VAL 15 15 51959 1 . LYS 16 16 51959 1 . GLU 17 17 51959 1 . GLN 18 18 51959 1 . LEU 19 19 51959 1 . THR 20 20 51959 1 . GLU 21 21 51959 1 . SER 22 22 51959 1 . GLY 23 23 51959 1 . LYS 24 24 51959 1 . LYS 25 25 51959 1 . ARG 26 26 51959 1 . GLY 27 27 51959 1 . VAL 28 28 51959 1 . LEU 29 29 51959 1 . THR 30 30 51959 1 . TYR 31 31 51959 1 . GLU 32 32 51959 1 . GLU 33 33 51959 1 . ILE 34 34 51959 1 . ALA 35 35 51959 1 . GLU 36 36 51959 1 . ARG 37 37 51959 1 . MET 38 38 51959 1 . SER 39 39 51959 1 . SER 40 40 51959 1 . PHE 41 41 51959 1 . GLU 42 42 51959 1 . ILE 43 43 51959 1 . GLU 44 44 51959 1 . SER 45 45 51959 1 . ASP 46 46 51959 1 . GLN 47 47 51959 1 . MET 48 48 51959 1 . ASP 49 49 51959 1 . GLU 50 50 51959 1 . TYR 51 51 51959 1 . TYR 52 52 51959 1 . GLU 53 53 51959 1 . PHE 54 54 51959 1 . LEU 55 55 51959 1 . GLY 56 56 51959 1 . GLU 57 57 51959 1 . GLN 58 58 51959 1 . GLY 59 59 51959 1 . VAL 60 60 51959 1 . GLU 61 61 51959 1 . LEU 62 62 51959 1 . ILE 63 63 51959 1 . SER 64 64 51959 1 . GLU 65 65 51959 1 . ASN 66 66 51959 1 . GLU 67 67 51959 1 . GLU 68 68 51959 1 . THR 69 69 51959 1 . GLU 70 70 51959 1 . ASP 71 71 51959 1 . LEU 72 72 51959 1 . GLU 73 73 51959 1 . HIS 74 74 51959 1 . HIS 75 75 51959 1 . HIS 76 76 51959 1 . HIS 77 77 51959 1 . HIS 78 78 51959 1 . HIS 79 79 51959 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51959 _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 $entity_1 . 1423 organism . 'Bacillus subtilis' 'Bacillus subtilis' . . Bacteria . Bacillus subtilis . . . . . . . . . . . sigA 's1.1 region of sigA' 51959 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51959 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . plasmid . . pET28b . . 'kanamycin antibiotic resistance' 51959 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51959 _Sample.ID 1 _Sample.Name '13C 15N sigma1.1 sample' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 sigma1.1 '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 51959 1 2 D2O 'natural abundance' . . . . . . 10 . . % . . . . 51959 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 51959 1 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 51959 1 5 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 51959 1 6 'sodium azide' 'natural abundance' . . . . . . 3 . . mM . . . . 51959 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 51959 _Sample.ID 2 _Sample.Name '15N sigma1.1 sample' _Sample.Type solution _Sample.Sub_type . _Sample.Details 'D2O was in capillary in coaxial arrangement' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '100% H2O' _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 sigma1.1 '[U-99% 15N]' . . 1 $entity_1 . . 0.8 . . mM . . . . 51959 2 2 H2O 'natural abundance' . . . . . . 100 . . % . . . . 51959 2 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 51959 2 4 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 51959 2 5 'sodium azide' 'natural abundance' . . . . . . 3 . . mM . . . . 51959 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 51959 _Sample.ID 3 _Sample.Name '15N deuterated sigma1.1 sample CH3 pro S' _Sample.Type solution _Sample.Sub_type . _Sample.Details ; D2O was in capillary in coaxial arrangement. sample was expressed in D2O with 12C deuterated glucose and labeled 13C deuterated precursors to ensure specific labeling of some CH3 groups (Thr, Met and pro-S Leu, Ile and Val residues). (R Kerfah, MJ Plevin, R Sounier, P Gans, J Boisbouvier, Methyl-specific isotopic labeling: a molecular tool box for solution nmr studies of large proteins. Curr. Opin. Struct. Biol. 32, 113-122 (2015) ; _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '100% H2O' _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 sigma1.1 '[U-15N; U-2H; 99%] + specific labeling of 13C pro-S methyls' . . 1 $entity_1 . . 0.8 . . mM . . . . 51959 3 2 H2O 'natural abundance' . . . . . . 100 . . % . . . . 51959 3 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 51959 3 4 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 51959 3 5 'sodium azide' 'natural abundance' . . . . . . 3 . . mM . . . . 51959 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 51959 _Sample.ID 4 _Sample.Name '15N deuterated sigma1.1 sample CH3 pro R' _Sample.Type solution _Sample.Sub_type . _Sample.Details ; D2O was in capillary in coaxial arrangement. sample was expressed in D2O with 12C deuterated glucose and labeled 13C deuterated precursors to ensure specific labeling of some CH3 groups (Ala and pro-R Leu, Ile and Val residues). (P Gans, et al., Stereospecific isotopic labeling of methyl groups for nmr spectroscopic studies of high-molecular-weight proteins. Angewandte Chemie 122, 2002-2006 (2010) ; _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '100% H2O' _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 sigma1.1 '[U-15N; U-2H; 99%]' . . 1 $entity_1 . . 0.8 . . mM . . . . 51959 4 2 H2O 'natural abundance' . . . . . . 100 . . % . . . . 51959 4 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 51959 4 4 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 51959 4 5 'sodium azide' 'natural abundance' . . . . . . 3 . . mM . . . . 51959 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 51959 _Sample.ID 5 _Sample.Name '13C-alpha sigma1.1 sample' _Sample.Type solution _Sample.Sub_type . _Sample.Details ; sample was expressed with (2-13C, 99%) D-glucose as a sole source of carbon. (P Lundstrom, et al., Fractional 13c enrichment of isolated carbons using [1-13c]-or [2-13c]-glucose facilitates the accurate measurement of dynamics at backbone ca and side-chain methyl positions in proteins. J. biomolecular NMR 38, 199-212 (2007) ; _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 sigma1.1 'selectively labeled C-alpha positions except for Val, Leu, Ile,' . . 1 $entity_1 . . 0.8 . . mM . . . . 51959 5 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 51959 5 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 51959 5 4 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 51959 5 5 'sodium azide' 'natural abundance' . . . . . . 3 . . mM . . . . 51959 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 51959 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'native conditions' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.6 . pH 51959 1 pressure 1 . atm 51959 1 temperature 298.15 . K 51959 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51959 _Software.ID 1 _Software.Type . _Software.Name GLOVE _Software.Version 2.4 _Software.DOI . _Software.Details ; Sugase, K., Konuma, T., Lansing, J.C. et al. Fast and accurate fitting of relaxation dispersion data using the flexible software package GLOVE. J Biomol NMR 56, 275-283 (2013). https://doi.org/10.1007/s10858-013-9747-5. ; loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift calculation from CPMG dispersion profiles' . 51959 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51959 _Software.ID 2 _Software.Type . _Software.Name ChemEx _Software.Version 2021.4.0.dev6 _Software.DOI . _Software.Details https://github.com/gbouvignies/ChemEx loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift calculation from CPMG and CEST profiles' . 51959 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51959 _Software.ID 3 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51959 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51959 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Neo 950' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 51959 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'Bruker Neo 850' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 51959 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name 'Bruker Neo 700' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_4 _NMR_spectrometer.Entry_ID 51959 _NMR_spectrometer.ID 4 _NMR_spectrometer.Name 'Bruker Neo 600' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51959 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '13CO CEST' no yes yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51959 1 2 '13CA CEST' no no yes . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51959 1 3 'HACACONNH 13 CA CEST' no no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51959 1 4 '1HN CEST' no no yes . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . . 51959 1 5 '1HN CEST' no no yes . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . . 51959 1 6 '15N CEST' no yes yes . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51959 1 7 '15N CPMG' no no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . . 51959 1 8 '15N CPMG' no no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 51959 1 9 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . . 51959 1 10 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51959 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51959 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'chemical shift reference 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 . . . . . 51959 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 na indirect 1.000000000 . . . . . 51959 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 51959 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51959 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'major state backbone chemical shifts' _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 $chem_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 'Chemical shifts were assigned based on the BMRB entry 34089' _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 2 '13CA CEST' . . . 51959 1 9 '2D 1H-15N HSQC' . . . 51959 1 10 '3D HNCO' . . . 51959 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $software_3 . . 51959 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 ASP C C 13 176.012 . . 1 . . . . . 2 ASP C . 51959 1 2 . 1 . 1 2 2 ASP CA C 13 54.370 . . 1 . . . . . 2 ASP CA . 51959 1 3 . 1 . 1 3 3 LYS H H 1 8.413 . . 1 . . . . . 3 LYS H . 51959 1 4 . 1 . 1 3 3 LYS C C 13 176.471 . . 1 . . . . . 3 LYS C . 51959 1 5 . 1 . 1 3 3 LYS CA C 13 56.337 . . 1 . . . . . 3 LYS CA . 51959 1 6 . 1 . 1 3 3 LYS N N 15 121.683 . . 1 . . . . . 3 LYS N . 51959 1 7 . 1 . 1 4 4 GLN H H 1 8.533 . . 1 . . . . . 4 GLN H . 51959 1 8 . 1 . 1 4 4 GLN C C 13 176.159 . . 1 . . . . . 4 GLN C . 51959 1 9 . 1 . 1 4 4 GLN CA C 13 55.741 . . 1 . . . . . 4 GLN CA . 51959 1 10 . 1 . 1 4 4 GLN N N 15 121.755 . . 1 . . . . . 4 GLN N . 51959 1 11 . 1 . 1 5 5 THR H H 1 8.181 . . 1 . . . . . 5 THR H . 51959 1 12 . 1 . 1 5 5 THR C C 13 174.265 . . 1 . . . . . 5 THR C . 51959 1 13 . 1 . 1 5 5 THR CA C 13 61.857 . . 1 . . . . . 5 THR CA . 51959 1 14 . 1 . 1 5 5 THR N N 15 115.348 . . 1 . . . . . 5 THR N . 51959 1 15 . 1 . 1 6 6 HIS H H 1 8.427 . . 1 . . . . . 6 HIS H . 51959 1 16 . 1 . 1 6 6 HIS C C 13 174.867 . . 1 . . . . . 6 HIS C . 51959 1 17 . 1 . 1 6 6 HIS CA C 13 55.654 . . 1 . . . . . 6 HIS CA . 51959 1 18 . 1 . 1 6 6 HIS N N 15 120.842 . . 1 . . . . . 6 HIS N . 51959 1 19 . 1 . 1 7 7 GLU H H 1 8.509 . . 1 . . . . . 7 GLU H . 51959 1 20 . 1 . 1 7 7 GLU C C 13 176.529 . . 1 . . . . . 7 GLU C . 51959 1 21 . 1 . 1 7 7 GLU CA C 13 56.982 . . 1 . . . . . 7 GLU CA . 51959 1 22 . 1 . 1 7 7 GLU N N 15 122.446 . . 1 . . . . . 7 GLU N . 51959 1 23 . 1 . 1 8 8 THR H H 1 8.169 . . 1 . . . . . 8 THR H . 51959 1 24 . 1 . 1 8 8 THR C C 13 174.238 . . 1 . . . . . 8 THR C . 51959 1 25 . 1 . 1 8 8 THR CA C 13 61.810 . . 1 . . . . . 8 THR CA . 51959 1 26 . 1 . 1 8 8 THR N N 15 114.776 . . 1 . . . . . 8 THR N . 51959 1 27 . 1 . 1 9 9 GLU H H 1 8.444 . . 1 . . . . . 9 GLU H . 51959 1 28 . 1 . 1 9 9 GLU C C 13 176.136 . . 1 . . . . . 9 GLU C . 51959 1 29 . 1 . 1 9 9 GLU CA C 13 56.412 . . 1 . . . . . 9 GLU CA . 51959 1 30 . 1 . 1 9 9 GLU N N 15 123.866 . . 1 . . . . . 9 GLU N . 51959 1 31 . 1 . 1 10 10 LEU H H 1 8.149 . . 1 . . . . . 10 LEU H . 51959 1 32 . 1 . 1 10 10 LEU C C 13 177.823 . . 1 . . . . . 10 LEU C . 51959 1 33 . 1 . 1 10 10 LEU CA C 13 54.643 . . 1 . . . . . 10 LEU CA . 51959 1 34 . 1 . 1 10 10 LEU N N 15 123.179 . . 1 . . . . . 10 LEU N . 51959 1 35 . 1 . 1 11 11 THR H H 1 8.443 . . 1 . . . . . 11 THR H . 51959 1 36 . 1 . 1 11 11 THR C C 13 174.830 . . 1 . . . . . 11 THR C . 51959 1 37 . 1 . 1 11 11 THR CA C 13 60.240 . . 1 . . . . . 11 THR CA . 51959 1 38 . 1 . 1 11 11 THR N N 15 112.456 . . 1 . . . . . 11 THR N . 51959 1 39 . 1 . 1 12 12 PHE H H 1 8.743 . . 1 . . . . . 12 PHE H . 51959 1 40 . 1 . 1 12 12 PHE C C 13 176.443 . . 1 . . . . . 12 PHE C . 51959 1 41 . 1 . 1 12 12 PHE CA C 13 60.248 . . 1 . . . . . 12 PHE CA . 51959 1 42 . 1 . 1 12 12 PHE N N 15 122.489 . . 1 . . . . . 12 PHE N . 51959 1 43 . 1 . 1 13 13 ASP H H 1 8.092 . . 1 . . . . . 13 ASP H . 51959 1 44 . 1 . 1 13 13 ASP C C 13 178.914 . . 1 . . . . . 13 ASP C . 51959 1 45 . 1 . 1 13 13 ASP CA C 13 57.421 . . 1 . . . . . 13 ASP CA . 51959 1 46 . 1 . 1 13 13 ASP N N 15 115.892 . . 1 . . . . . 13 ASP N . 51959 1 47 . 1 . 1 14 14 GLN H H 1 7.533 . . 1 . . . . . 14 GLN H . 51959 1 48 . 1 . 1 14 14 GLN C C 13 179.104 . . 1 . . . . . 14 GLN C . 51959 1 49 . 1 . 1 14 14 GLN CA C 13 58.726 . . 1 . . . . . 14 GLN CA . 51959 1 50 . 1 . 1 14 14 GLN N N 15 119.356 . . 1 . . . . . 14 GLN N . 51959 1 51 . 1 . 1 15 15 VAL H H 1 8.282 . . 1 . . . . . 15 VAL H . 51959 1 52 . 1 . 1 15 15 VAL C C 13 178.099 . . 1 . . . . . 15 VAL C . 51959 1 53 . 1 . 1 15 15 VAL CA C 13 67.110 . . 1 . . . . . 15 VAL CA . 51959 1 54 . 1 . 1 15 15 VAL N N 15 122.113 . . 1 . . . . . 15 VAL N . 51959 1 55 . 1 . 1 16 16 LYS H H 1 8.040 . . 1 . . . . . 16 LYS H . 51959 1 56 . 1 . 1 16 16 LYS C C 13 178.539 . . 1 . . . . . 16 LYS C . 51959 1 57 . 1 . 1 16 16 LYS CA C 13 60.438 . . 1 . . . . . 16 LYS CA . 51959 1 58 . 1 . 1 16 16 LYS N N 15 119.091 . . 1 . . . . . 16 LYS N . 51959 1 59 . 1 . 1 17 17 GLU H H 1 7.710 . . 1 . . . . . 17 GLU H . 51959 1 60 . 1 . 1 17 17 GLU C C 13 179.091 . . 1 . . . . . 17 GLU C . 51959 1 61 . 1 . 1 17 17 GLU CA C 13 59.781 . . 1 . . . . . 17 GLU CA . 51959 1 62 . 1 . 1 17 17 GLU N N 15 118.938 . . 1 . . . . . 17 GLU N . 51959 1 63 . 1 . 1 18 18 GLN H H 1 7.879 . . 1 . . . . . 18 GLN H . 51959 1 64 . 1 . 1 18 18 GLN C C 13 179.888 . . 1 . . . . . 18 GLN C . 51959 1 65 . 1 . 1 18 18 GLN CA C 13 58.921 . . 1 . . . . . 18 GLN CA . 51959 1 66 . 1 . 1 18 18 GLN N N 15 118.896 . . 1 . . . . . 18 GLN N . 51959 1 67 . 1 . 1 19 19 LEU H H 1 8.506 . . 1 . . . . . 19 LEU H . 51959 1 68 . 1 . 1 19 19 LEU C C 13 178.769 . . 1 . . . . . 19 LEU C . 51959 1 69 . 1 . 1 19 19 LEU CA C 13 57.780 . . 1 . . . . . 19 LEU CA . 51959 1 70 . 1 . 1 19 19 LEU N N 15 122.797 . . 1 . . . . . 19 LEU N . 51959 1 71 . 1 . 1 20 20 THR H H 1 8.839 . . 1 . . . . . 20 THR H . 51959 1 72 . 1 . 1 20 20 THR C C 13 176.004 . . 1 . . . . . 20 THR C . 51959 1 73 . 1 . 1 20 20 THR CA C 13 67.124 . . 1 . . . . . 20 THR CA . 51959 1 74 . 1 . 1 20 20 THR N N 15 117.871 . . 1 . . . . . 20 THR N . 51959 1 75 . 1 . 1 21 21 GLU H H 1 8.057 . . 1 . . . . . 21 GLU H . 51959 1 76 . 1 . 1 21 21 GLU C C 13 179.345 . . 1 . . . . . 21 GLU C . 51959 1 77 . 1 . 1 21 21 GLU CA C 13 59.662 . . 1 . . . . . 21 GLU CA . 51959 1 78 . 1 . 1 21 21 GLU N N 15 120.024 . . 1 . . . . . 21 GLU N . 51959 1 79 . 1 . 1 22 22 SER H H 1 8.031 . . 1 . . . . . 22 SER H . 51959 1 80 . 1 . 1 22 22 SER C C 13 177.335 . . 1 . . . . . 22 SER C . 51959 1 81 . 1 . 1 22 22 SER CA C 13 61.548 . . 1 . . . . . 22 SER CA . 51959 1 82 . 1 . 1 22 22 SER N N 15 115.336 . . 1 . . . . . 22 SER N . 51959 1 83 . 1 . 1 23 23 GLY H H 1 9.048 . . 1 . . . . . 23 GLY H . 51959 1 84 . 1 . 1 23 23 GLY C C 13 175.698 . . 1 . . . . . 23 GLY C . 51959 1 85 . 1 . 1 23 23 GLY CA C 13 47.435 . . 1 . . . . . 23 GLY CA . 51959 1 86 . 1 . 1 23 23 GLY N N 15 110.252 . . 1 . . . . . 23 GLY N . 51959 1 87 . 1 . 1 24 24 LYS H H 1 8.579 . . 1 . . . . . 24 LYS H . 51959 1 88 . 1 . 1 24 24 LYS C C 13 178.982 . . 1 . . . . . 24 LYS C . 51959 1 89 . 1 . 1 24 24 LYS CA C 13 59.445 . . 1 . . . . . 24 LYS CA . 51959 1 90 . 1 . 1 24 24 LYS N N 15 121.246 . . 1 . . . . . 24 LYS N . 51959 1 91 . 1 . 1 25 25 LYS H H 1 7.640 . . 1 . . . . . 25 LYS H . 51959 1 92 . 1 . 1 25 25 LYS C C 13 178.570 . . 1 . . . . . 25 LYS C . 51959 1 93 . 1 . 1 25 25 LYS CA C 13 59.105 . . 1 . . . . . 25 LYS CA . 51959 1 94 . 1 . 1 25 25 LYS N N 15 118.522 . . 1 . . . . . 25 LYS N . 51959 1 95 . 1 . 1 26 26 ARG H H 1 8.022 . . 1 . . . . . 26 ARG H . 51959 1 96 . 1 . 1 26 26 ARG C C 13 177.530 . . 1 . . . . . 26 ARG C . 51959 1 97 . 1 . 1 26 26 ARG CA C 13 57.536 . . 1 . . . . . 26 ARG CA . 51959 1 98 . 1 . 1 26 26 ARG N N 15 115.905 . . 1 . . . . . 26 ARG N . 51959 1 99 . 1 . 1 27 27 GLY H H 1 8.575 . . 1 . . . . . 27 GLY H . 51959 1 100 . 1 . 1 27 27 GLY C C 13 172.648 . . 1 . . . . . 27 GLY C . 51959 1 101 . 1 . 1 27 27 GLY CA C 13 45.330 . . 1 . . . . . 27 GLY CA . 51959 1 102 . 1 . 1 27 27 GLY N N 15 109.295 . . 1 . . . . . 27 GLY N . 51959 1 103 . 1 . 1 28 28 VAL H H 1 7.074 . . 1 . . . . . 28 VAL H . 51959 1 104 . 1 . 1 28 28 VAL C C 13 173.185 . . 1 . . . . . 28 VAL C . 51959 1 105 . 1 . 1 28 28 VAL CA C 13 58.589 . . 1 . . . . . 28 VAL CA . 51959 1 106 . 1 . 1 28 28 VAL N N 15 117.024 . . 1 . . . . . 28 VAL N . 51959 1 107 . 1 . 1 29 29 LEU H H 1 8.247 . . 1 . . . . . 29 LEU H . 51959 1 108 . 1 . 1 29 29 LEU C C 13 175.421 . . 1 . . . . . 29 LEU C . 51959 1 109 . 1 . 1 29 29 LEU CA C 13 53.470 . . 1 . . . . . 29 LEU CA . 51959 1 110 . 1 . 1 29 29 LEU N N 15 122.620 . . 1 . . . . . 29 LEU N . 51959 1 111 . 1 . 1 30 30 THR H H 1 9.008 . . 1 . . . . . 30 THR H . 51959 1 112 . 1 . 1 30 30 THR C C 13 176.638 . . 1 . . . . . 30 THR C . 51959 1 113 . 1 . 1 30 30 THR CA C 13 57.929 . . 1 . . . . . 30 THR CA . 51959 1 114 . 1 . 1 30 30 THR N N 15 110.399 . . 1 . . . . . 30 THR N . 51959 1 115 . 1 . 1 31 31 TYR H H 1 8.419 . . 1 . . . . . 31 TYR H . 51959 1 116 . 1 . 1 31 31 TYR C C 13 179.518 . . 1 . . . . . 31 TYR C . 51959 1 117 . 1 . 1 31 31 TYR CA C 13 62.719 . . 1 . . . . . 31 TYR CA . 51959 1 118 . 1 . 1 31 31 TYR N N 15 120.218 . . 1 . . . . . 31 TYR N . 51959 1 119 . 1 . 1 32 32 GLU H H 1 9.747 . . 1 . . . . . 32 GLU H . 51959 1 120 . 1 . 1 32 32 GLU C C 13 179.114 . . 1 . . . . . 32 GLU C . 51959 1 121 . 1 . 1 32 32 GLU CA C 13 61.607 . . 1 . . . . . 32 GLU CA . 51959 1 122 . 1 . 1 32 32 GLU N N 15 119.364 . . 1 . . . . . 32 GLU N . 51959 1 123 . 1 . 1 33 33 GLU H H 1 8.591 . . 1 . . . . . 33 GLU H . 51959 1 124 . 1 . 1 33 33 GLU C C 13 178.761 . . 1 . . . . . 33 GLU C . 51959 1 125 . 1 . 1 33 33 GLU CA C 13 58.874 . . 1 . . . . . 33 GLU CA . 51959 1 126 . 1 . 1 33 33 GLU N N 15 123.112 . . 1 . . . . . 33 GLU N . 51959 1 127 . 1 . 1 34 34 ILE H H 1 7.597 . . 1 . . . . . 34 ILE H . 51959 1 128 . 1 . 1 34 34 ILE C C 13 177.335 . . 1 . . . . . 34 ILE C . 51959 1 129 . 1 . 1 34 34 ILE CA C 13 65.766 . . 1 . . . . . 34 ILE CA . 51959 1 130 . 1 . 1 34 34 ILE N N 15 121.121 . . 1 . . . . . 34 ILE N . 51959 1 131 . 1 . 1 35 35 ALA H H 1 8.273 . . 1 . . . . . 35 ALA H . 51959 1 132 . 1 . 1 35 35 ALA C C 13 181.145 . . 1 . . . . . 35 ALA C . 51959 1 133 . 1 . 1 35 35 ALA CA C 13 55.178 . . 1 . . . . . 35 ALA CA . 51959 1 134 . 1 . 1 35 35 ALA N N 15 120.355 . . 1 . . . . . 35 ALA N . 51959 1 135 . 1 . 1 36 36 GLU H H 1 8.173 . . 1 . . . . . 36 GLU H . 51959 1 136 . 1 . 1 36 36 GLU C C 13 180.088 . . 1 . . . . . 36 GLU C . 51959 1 137 . 1 . 1 36 36 GLU CA C 13 59.513 . . 1 . . . . . 36 GLU CA . 51959 1 138 . 1 . 1 36 36 GLU N N 15 117.804 . . 1 . . . . . 36 GLU N . 51959 1 139 . 1 . 1 37 37 ARG H H 1 8.010 . . 1 . . . . . 37 ARG H . 51959 1 140 . 1 . 1 37 37 ARG C C 13 178.664 . . 1 . . . . . 37 ARG C . 51959 1 141 . 1 . 1 37 37 ARG CA C 13 57.558 . . 1 . . . . . 37 ARG CA . 51959 1 142 . 1 . 1 37 37 ARG N N 15 117.628 . . 1 . . . . . 37 ARG N . 51959 1 143 . 1 . 1 38 38 MET H H 1 8.169 . . 1 . . . . . 38 MET H . 51959 1 144 . 1 . 1 38 38 MET C C 13 177.719 . . 1 . . . . . 38 MET C . 51959 1 145 . 1 . 1 38 38 MET CA C 13 55.784 . . 1 . . . . . 38 MET CA . 51959 1 146 . 1 . 1 38 38 MET N N 15 114.776 . . 1 . . . . . 38 MET N . 51959 1 147 . 1 . 1 39 39 SER H H 1 7.623 . . 1 . . . . . 39 SER H . 51959 1 148 . 1 . 1 39 39 SER C C 13 175.724 . . 1 . . . . . 39 SER C . 51959 1 149 . 1 . 1 39 39 SER CA C 13 61.927 . . 1 . . . . . 39 SER CA . 51959 1 150 . 1 . 1 39 39 SER N N 15 115.944 . . 1 . . . . . 39 SER N . 51959 1 151 . 1 . 1 40 40 SER H H 1 8.016 . . 1 . . . . . 40 SER H . 51959 1 152 . 1 . 1 40 40 SER C C 13 173.757 . . 1 . . . . . 40 SER C . 51959 1 153 . 1 . 1 40 40 SER CA C 13 59.550 . . 1 . . . . . 40 SER CA . 51959 1 154 . 1 . 1 40 40 SER N N 15 115.536 . . 1 . . . . . 40 SER N . 51959 1 155 . 1 . 1 41 41 PHE H H 1 7.712 . . 1 . . . . . 41 PHE H . 51959 1 156 . 1 . 1 41 41 PHE C C 13 174.746 . . 1 . . . . . 41 PHE C . 51959 1 157 . 1 . 1 41 41 PHE CA C 13 56.958 . . 1 . . . . . 41 PHE CA . 51959 1 158 . 1 . 1 41 41 PHE N N 15 119.810 . . 1 . . . . . 41 PHE N . 51959 1 159 . 1 . 1 42 42 GLU H H 1 8.358 . . 1 . . . . . 42 GLU H . 51959 1 160 . 1 . 1 42 42 GLU C C 13 175.256 . . 1 . . . . . 42 GLU C . 51959 1 161 . 1 . 1 42 42 GLU CA C 13 55.976 . . 1 . . . . . 42 GLU CA . 51959 1 162 . 1 . 1 42 42 GLU N N 15 120.922 . . 1 . . . . . 42 GLU N . 51959 1 163 . 1 . 1 43 43 ILE H H 1 8.082 . . 1 . . . . . 43 ILE H . 51959 1 164 . 1 . 1 43 43 ILE C C 13 176.285 . . 1 . . . . . 43 ILE C . 51959 1 165 . 1 . 1 43 43 ILE CA C 13 59.266 . . 1 . . . . . 43 ILE CA . 51959 1 166 . 1 . 1 43 43 ILE N N 15 122.731 . . 1 . . . . . 43 ILE N . 51959 1 167 . 1 . 1 44 44 GLU H H 1 8.580 . . 1 . . . . . 44 GLU H . 51959 1 168 . 1 . 1 44 44 GLU C C 13 178.197 . . 1 . . . . . 44 GLU C . 51959 1 169 . 1 . 1 44 44 GLU CA C 13 55.850 . . 1 . . . . . 44 GLU CA . 51959 1 170 . 1 . 1 44 44 GLU N N 15 125.713 . . 1 . . . . . 44 GLU N . 51959 1 171 . 1 . 1 45 45 SER H H 1 8.920 . . 1 . . . . . 45 SER H . 51959 1 172 . 1 . 1 45 45 SER C C 13 176.419 . . 1 . . . . . 45 SER C . 51959 1 173 . 1 . 1 45 45 SER CA C 13 62.198 . . 1 . . . . . 45 SER CA . 51959 1 174 . 1 . 1 45 45 SER N N 15 118.407 . . 1 . . . . . 45 SER N . 51959 1 175 . 1 . 1 46 46 ASP H H 1 8.737 . . 1 . . . . . 46 ASP H . 51959 1 176 . 1 . 1 46 46 ASP C C 13 178.606 . . 1 . . . . . 46 ASP C . 51959 1 177 . 1 . 1 46 46 ASP CA C 13 56.851 . . 1 . . . . . 46 ASP CA . 51959 1 178 . 1 . 1 46 46 ASP N N 15 119.618 . . 1 . . . . . 46 ASP N . 51959 1 179 . 1 . 1 47 47 GLN H H 1 7.442 . . 1 . . . . . 47 GLN H . 51959 1 180 . 1 . 1 47 47 GLN C C 13 179.403 . . 1 . . . . . 47 GLN C . 51959 1 181 . 1 . 1 47 47 GLN CA C 13 58.295 . . 1 . . . . . 47 GLN CA . 51959 1 182 . 1 . 1 47 47 GLN N N 15 119.215 . . 1 . . . . . 47 GLN N . 51959 1 183 . 1 . 1 48 48 MET H H 1 7.725 . . 1 . . . . . 48 MET H . 51959 1 184 . 1 . 1 48 48 MET C C 13 177.094 . . 1 . . . . . 48 MET C . 51959 1 185 . 1 . 1 48 48 MET CA C 13 56.453 . . 1 . . . . . 48 MET CA . 51959 1 186 . 1 . 1 48 48 MET N N 15 121.012 . . 1 . . . . . 48 MET N . 51959 1 187 . 1 . 1 49 49 ASP H H 1 8.209 . . 1 . . . . . 49 ASP H . 51959 1 188 . 1 . 1 49 49 ASP C C 13 179.501 . . 1 . . . . . 49 ASP C . 51959 1 189 . 1 . 1 49 49 ASP CA C 13 57.794 . . 1 . . . . . 49 ASP CA . 51959 1 190 . 1 . 1 49 49 ASP N N 15 119.318 . . 1 . . . . . 49 ASP N . 51959 1 191 . 1 . 1 50 50 GLU H H 1 7.700 . . 1 . . . . . 50 GLU H . 51959 1 192 . 1 . 1 50 50 GLU C C 13 179.028 . . 1 . . . . . 50 GLU C . 51959 1 193 . 1 . 1 50 50 GLU CA C 13 59.351 . . 1 . . . . . 50 GLU CA . 51959 1 194 . 1 . 1 50 50 GLU N N 15 118.946 . . 1 . . . . . 50 GLU N . 51959 1 195 . 1 . 1 51 51 TYR H H 1 7.628 . . 1 . . . . . 51 TYR H . 51959 1 196 . 1 . 1 51 51 TYR C C 13 177.583 . . 1 . . . . . 51 TYR C . 51959 1 197 . 1 . 1 51 51 TYR CA C 13 59.670 . . 1 . . . . . 51 TYR CA . 51959 1 198 . 1 . 1 51 51 TYR N N 15 122.685 . . 1 . . . . . 51 TYR N . 51959 1 199 . 1 . 1 52 52 TYR H H 1 8.643 . . 1 . . . . . 52 TYR H . 51959 1 200 . 1 . 1 52 52 TYR C C 13 180.292 . . 1 . . . . . 52 TYR C . 51959 1 201 . 1 . 1 52 52 TYR CA C 13 58.479 . . 1 . . . . . 52 TYR CA . 51959 1 202 . 1 . 1 52 52 TYR N N 15 118.659 . . 1 . . . . . 52 TYR N . 51959 1 203 . 1 . 1 53 53 GLU H H 1 8.126 . . 1 . . . . . 53 GLU H . 51959 1 204 . 1 . 1 53 53 GLU C C 13 178.932 . . 1 . . . . . 53 GLU C . 51959 1 205 . 1 . 1 53 53 GLU CA C 13 59.523 . . 1 . . . . . 53 GLU CA . 51959 1 206 . 1 . 1 53 53 GLU N N 15 120.538 . . 1 . . . . . 53 GLU N . 51959 1 207 . 1 . 1 54 54 PHE H H 1 8.191 . . 1 . . . . . 54 PHE H . 51959 1 208 . 1 . 1 54 54 PHE C C 13 177.492 . . 1 . . . . . 54 PHE C . 51959 1 209 . 1 . 1 54 54 PHE CA C 13 60.891 . . 1 . . . . . 54 PHE CA . 51959 1 210 . 1 . 1 54 54 PHE N N 15 123.449 . . 1 . . . . . 54 PHE N . 51959 1 211 . 1 . 1 55 55 LEU H H 1 8.600 . . 1 . . . . . 55 LEU H . 51959 1 212 . 1 . 1 55 55 LEU C C 13 179.541 . . 1 . . . . . 55 LEU C . 51959 1 213 . 1 . 1 55 55 LEU CA C 13 58.399 . . 1 . . . . . 55 LEU CA . 51959 1 214 . 1 . 1 55 55 LEU N N 15 120.500 . . 1 . . . . . 55 LEU N . 51959 1 215 . 1 . 1 56 56 GLY H H 1 7.804 . . 1 . . . . . 56 GLY H . 51959 1 216 . 1 . 1 56 56 GLY C C 13 178.390 . . 1 . . . . . 56 GLY C . 51959 1 217 . 1 . 1 56 56 GLY CA C 13 47.341 . . 1 . . . . . 56 GLY CA . 51959 1 218 . 1 . 1 56 56 GLY N N 15 105.848 . . 1 . . . . . 56 GLY N . 51959 1 219 . 1 . 1 57 57 GLU H H 1 7.925 . . 1 . . . . . 57 GLU H . 51959 1 220 . 1 . 1 57 57 GLU C C 13 178.362 . . 1 . . . . . 57 GLU C . 51959 1 221 . 1 . 1 57 57 GLU CA C 13 58.741 . . 1 . . . . . 57 GLU CA . 51959 1 222 . 1 . 1 57 57 GLU N N 15 123.827 . . 1 . . . . . 57 GLU N . 51959 1 223 . 1 . 1 58 58 GLN H H 1 7.523 . . 1 . . . . . 58 GLN H . 51959 1 224 . 1 . 1 58 58 GLN C C 13 175.422 . . 1 . . . . . 58 GLN C . 51959 1 225 . 1 . 1 58 58 GLN CA C 13 54.390 . . 1 . . . . . 58 GLN CA . 51959 1 226 . 1 . 1 58 58 GLN N N 15 115.538 . . 1 . . . . . 58 GLN N . 51959 1 227 . 1 . 1 59 59 GLY H H 1 7.660 . . 1 . . . . . 59 GLY H . 51959 1 228 . 1 . 1 59 59 GLY C C 13 173.835 . . 1 . . . . . 59 GLY C . 51959 1 229 . 1 . 1 59 59 GLY CA C 13 45.503 . . 1 . . . . . 59 GLY CA . 51959 1 230 . 1 . 1 59 59 GLY N N 15 106.787 . . 1 . . . . . 59 GLY N . 51959 1 231 . 1 . 1 60 60 VAL H H 1 7.762 . . 1 . . . . . 60 VAL H . 51959 1 232 . 1 . 1 60 60 VAL C C 13 174.634 . . 1 . . . . . 60 VAL C . 51959 1 233 . 1 . 1 60 60 VAL CA C 13 61.836 . . 1 . . . . . 60 VAL CA . 51959 1 234 . 1 . 1 60 60 VAL N N 15 122.173 . . 1 . . . . . 60 VAL N . 51959 1 235 . 1 . 1 61 61 GLU H H 1 7.861 . . 1 . . . . . 61 GLU H . 51959 1 236 . 1 . 1 61 61 GLU C C 13 173.898 . . 1 . . . . . 61 GLU C . 51959 1 237 . 1 . 1 61 61 GLU CA C 13 55.954 . . 1 . . . . . 61 GLU CA . 51959 1 238 . 1 . 1 61 61 GLU N N 15 128.434 . . 1 . . . . . 61 GLU N . 51959 1 239 . 1 . 1 62 62 LEU H H 1 7.841 . . 1 . . . . . 62 LEU H . 51959 1 240 . 1 . 1 62 62 LEU C C 13 176.823 . . 1 . . . . . 62 LEU C . 51959 1 241 . 1 . 1 62 62 LEU CA C 13 53.111 . . 1 . . . . . 62 LEU CA . 51959 1 242 . 1 . 1 62 62 LEU N N 15 124.420 . . 1 . . . . . 62 LEU N . 51959 1 243 . 1 . 1 63 63 ILE H H 1 7.838 . . 1 . . . . . 63 ILE H . 51959 1 244 . 1 . 1 63 63 ILE C C 13 174.724 . . 1 . . . . . 63 ILE C . 51959 1 245 . 1 . 1 63 63 ILE CA C 13 58.811 . . 1 . . . . . 63 ILE CA . 51959 1 246 . 1 . 1 63 63 ILE N N 15 117.459 . . 1 . . . . . 63 ILE N . 51959 1 247 . 1 . 1 64 64 SER H H 1 8.613 . . 1 . . . . . 64 SER H . 51959 1 248 . 1 . 1 64 64 SER C C 13 175.706 . . 1 . . . . . 64 SER C . 51959 1 249 . 1 . 1 64 64 SER CA C 13 56.886 . . 1 . . . . . 64 SER CA . 51959 1 250 . 1 . 1 64 64 SER N N 15 116.102 . . 1 . . . . . 64 SER N . 51959 1 251 . 1 . 1 65 65 GLU H H 1 9.760 . . 1 . . . . . 65 GLU H . 51959 1 252 . 1 . 1 65 65 GLU C C 13 176.468 . . 1 . . . . . 65 GLU C . 51959 1 253 . 1 . 1 65 65 GLU CA C 13 57.799 . . 1 . . . . . 65 GLU CA . 51959 1 254 . 1 . 1 65 65 GLU N N 15 127.197 . . 1 . . . . . 65 GLU N . 51959 1 255 . 1 . 1 66 66 ASN H H 1 8.400 . . 1 . . . . . 66 ASN H . 51959 1 256 . 1 . 1 66 66 ASN C C 13 175.144 . . 1 . . . . . 66 ASN C . 51959 1 257 . 1 . 1 66 66 ASN CA C 13 53.168 . . 1 . . . . . 66 ASN CA . 51959 1 258 . 1 . 1 66 66 ASN N N 15 118.025 . . 1 . . . . . 66 ASN N . 51959 1 259 . 1 . 1 67 67 GLU H H 1 8.258 . . 1 . . . . . 67 GLU H . 51959 1 260 . 1 . 1 67 67 GLU C C 13 176.580 . . 1 . . . . . 67 GLU C . 51959 1 261 . 1 . 1 67 67 GLU CA C 13 56.895 . . 1 . . . . . 67 GLU CA . 51959 1 262 . 1 . 1 67 67 GLU N N 15 121.192 . . 1 . . . . . 67 GLU N . 51959 1 263 . 1 . 1 68 68 GLU H H 1 8.368 . . 1 . . . . . 68 GLU H . 51959 1 264 . 1 . 1 68 68 GLU C C 13 176.748 . . 1 . . . . . 68 GLU C . 51959 1 265 . 1 . 1 68 68 GLU CA C 13 56.768 . . 1 . . . . . 68 GLU CA . 51959 1 266 . 1 . 1 68 68 GLU N N 15 121.610 . . 1 . . . . . 68 GLU N . 51959 1 267 . 1 . 1 69 69 THR H H 1 8.072 . . 1 . . . . . 69 THR H . 51959 1 268 . 1 . 1 69 69 THR C C 13 174.654 . . 1 . . . . . 69 THR C . 51959 1 269 . 1 . 1 69 69 THR CA C 13 61.918 . . 1 . . . . . 69 THR CA . 51959 1 270 . 1 . 1 69 69 THR N N 15 114.690 . . 1 . . . . . 69 THR N . 51959 1 271 . 1 . 1 70 70 GLU H H 1 8.381 . . 1 . . . . . 70 GLU H . 51959 1 272 . 1 . 1 70 70 GLU C C 13 176.070 . . 1 . . . . . 70 GLU C . 51959 1 273 . 1 . 1 70 70 GLU CA C 13 56.866 . . 1 . . . . . 70 GLU CA . 51959 1 274 . 1 . 1 70 70 GLU N N 15 122.921 . . 1 . . . . . 70 GLU N . 51959 1 275 . 1 . 1 71 71 ASP H H 1 8.331 . . 1 . . . . . 71 ASP H . 51959 1 276 . 1 . 1 71 71 ASP C C 13 176.467 . . 1 . . . . . 71 ASP C . 51959 1 277 . 1 . 1 71 71 ASP CA C 13 53.958 . . 1 . . . . . 71 ASP CA . 51959 1 278 . 1 . 1 71 71 ASP N N 15 121.243 . . 1 . . . . . 71 ASP N . 51959 1 279 . 1 . 1 72 72 LEU H H 1 8.167 . . 1 . . . . . 72 LEU H . 51959 1 280 . 1 . 1 72 72 LEU C C 13 178.066 . . 1 . . . . . 72 LEU C . 51959 1 281 . 1 . 1 72 72 LEU CA C 13 56.178 . . 1 . . . . . 72 LEU CA . 51959 1 282 . 1 . 1 72 72 LEU N N 15 122.484 . . 1 . . . . . 72 LEU N . 51959 1 283 . 1 . 1 73 73 GLU H H 1 8.226 . . 1 . . . . . 73 GLU H . 51959 1 284 . 1 . 1 73 73 GLU CA C 13 57.029 . . 1 . . . . . 73 GLU CA . 51959 1 285 . 1 . 1 73 73 GLU N N 15 118.596 . . 1 . . . . . 73 GLU N . 51959 1 286 . 1 . 1 74 74 HIS H H 1 7.993 . . 1 . . . . . 74 HIS H . 51959 1 287 . 1 . 1 74 74 HIS N N 15 117.038 . . 1 . . . . . 74 HIS N . 51959 1 288 . 1 . 1 75 75 HIS H H 1 8.226 . . 1 . . . . . 75 HIS H . 51959 1 289 . 1 . 1 75 75 HIS N N 15 118.596 . . 1 . . . . . 75 HIS N . 51959 1 290 . 1 . 1 76 76 HIS H H 1 8.478 . . 1 . . . . . 76 HIS H . 51959 1 291 . 1 . 1 76 76 HIS N N 15 119.515 . . 1 . . . . . 76 HIS N . 51959 1 292 . 1 . 1 77 77 HIS H H 1 8.189 . . 1 . . . . . 77 HIS H . 51959 1 293 . 1 . 1 77 77 HIS N N 15 125.326 . . 1 . . . . . 77 HIS N . 51959 1 stop_ save_ save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 51959 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name 'minor state backbone chemical shifts' _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 $chem_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 ; Backbone chemical shifts of the minor state derived from CEST and CPMG profiles, from which we could accurately obtain Do between major and minor conformations. ; _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 '13CO CEST' . . . 51959 2 2 '13CA CEST' . . . 51959 2 3 'HACACONNH 13 CA CEST' . . . 51959 2 4 '1HN CEST' . . . 51959 2 5 '1HN CEST' . . . 51959 2 6 '15N CEST' . . . 51959 2 7 '15N CPMG' . . . 51959 2 8 '15N CPMG' . . . 51959 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51959 2 2 $software_2 . . 51959 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 ASP C C 13 176.012 0.000 . 1 . . . . . 2 ASP C . 51959 2 2 . 1 . 1 2 2 ASP CA C 13 54.370 0.000 . 1 . . . . . 2 ASP CA . 51959 2 3 . 1 . 1 3 3 LYS H H 1 8.413 0.000 . 1 . . . . . 3 LYS H . 51959 2 4 . 1 . 1 3 3 LYS C C 13 176.471 0.000 . 1 . . . . . 3 LYS C . 51959 2 5 . 1 . 1 3 3 LYS CA C 13 56.337 0.000 . 1 . . . . . 3 LYS CA . 51959 2 6 . 1 . 1 3 3 LYS N N 15 121.683 0.000 . 1 . . . . . 3 LYS N . 51959 2 7 . 1 . 1 4 4 GLN H H 1 8.533 0.000 . 1 . . . . . 4 GLN H . 51959 2 8 . 1 . 1 4 4 GLN C C 13 176.159 0.000 . 1 . . . . . 4 GLN C . 51959 2 9 . 1 . 1 4 4 GLN CA C 13 55.741 0.000 . 1 . . . . . 4 GLN CA . 51959 2 10 . 1 . 1 4 4 GLN N N 15 121.755 0.000 . 1 . . . . . 4 GLN N . 51959 2 11 . 1 . 1 5 5 THR H H 1 8.181 0.000 . 1 . . . . . 5 THR H . 51959 2 12 . 1 . 1 5 5 THR C C 13 174.265 0.000 . 1 . . . . . 5 THR C . 51959 2 13 . 1 . 1 5 5 THR CA C 13 61.857 0.000 . 1 . . . . . 5 THR CA . 51959 2 14 . 1 . 1 5 5 THR N N 15 115.348 0.000 . 1 . . . . . 5 THR N . 51959 2 15 . 1 . 1 6 6 HIS H H 1 8.427 0.000 . 1 . . . . . 6 HIS H . 51959 2 16 . 1 . 1 6 6 HIS C C 13 174.867 0.000 . 1 . . . . . 6 HIS C . 51959 2 17 . 1 . 1 6 6 HIS CA C 13 55.654 0.000 . 1 . . . . . 6 HIS CA . 51959 2 18 . 1 . 1 6 6 HIS N N 15 120.842 0.000 . 1 . . . . . 6 HIS N . 51959 2 19 . 1 . 1 7 7 GLU H H 1 8.509 0.000 . 1 . . . . . 7 GLU H . 51959 2 20 . 1 . 1 7 7 GLU C C 13 176.529 0.000 . 1 . . . . . 7 GLU C . 51959 2 21 . 1 . 1 7 7 GLU CA C 13 56.982 0.000 . 1 . . . . . 7 GLU CA . 51959 2 22 . 1 . 1 7 7 GLU N N 15 122.446 0.000 . 1 . . . . . 7 GLU N . 51959 2 23 . 1 . 1 8 8 THR H H 1 8.169 0.000 . 1 . . . . . 8 THR H . 51959 2 24 . 1 . 1 8 8 THR C C 13 174.238 0.000 . 1 . . . . . 8 THR C . 51959 2 25 . 1 . 1 8 8 THR CA C 13 61.810 0.000 . 1 . . . . . 8 THR CA . 51959 2 26 . 1 . 1 8 8 THR N N 15 114.776 0.000 . 1 . . . . . 8 THR N . 51959 2 27 . 1 . 1 9 9 GLU H H 1 8.444 0.000 . 1 . . . . . 9 GLU H . 51959 2 28 . 1 . 1 9 9 GLU C C 13 176.136 0.000 . 1 . . . . . 9 GLU C . 51959 2 29 . 1 . 1 9 9 GLU CA C 13 56.412 0.000 . 1 . . . . . 9 GLU CA . 51959 2 30 . 1 . 1 9 9 GLU N N 15 123.866 0.000 . 1 . . . . . 9 GLU N . 51959 2 31 . 1 . 1 10 10 LEU H H 1 8.149 0.000 . 1 . . . . . 10 LEU H . 51959 2 32 . 1 . 1 10 10 LEU C C 13 177.281 0.000 . 1 . . . . . 10 LEU C . 51959 2 33 . 1 . 1 10 10 LEU CA C 13 54.685 0.000 . 1 . . . . . 10 LEU CA . 51959 2 34 . 1 . 1 10 10 LEU N N 15 123.179 0.000 . 1 . . . . . 10 LEU N . 51959 2 35 . 1 . 1 11 11 THR H H 1 8.076 0.011 . 1 . . . . . 11 THR H . 51959 2 36 . 1 . 1 11 11 THR C C 13 174.402 0.000 . 1 . . . . . 11 THR C . 51959 2 37 . 1 . 1 11 11 THR CA C 13 60.060 0.196 . 1 . . . . . 11 THR CA . 51959 2 38 . 1 . 1 11 11 THR N N 15 113.350 0.601 . 1 . . . . . 11 THR N . 51959 2 39 . 1 . 1 12 12 PHE H H 1 8.287 0.002 . 1 . . . . . 12 PHE H . 51959 2 40 . 1 . 1 12 12 PHE C C 13 175.900 0.494 . 1 . . . . . 12 PHE C . 51959 2 41 . 1 . 1 12 12 PHE CA C 13 58.844 0.168 . 1 . . . . . 12 PHE CA . 51959 2 42 . 1 . 1 12 12 PHE N N 15 122.489 0.000 . 1 . . . . . 12 PHE N . 51959 2 43 . 1 . 1 13 13 ASP H H 1 8.286 0.014 . 1 . . . . . 13 ASP H . 51959 2 44 . 1 . 1 13 13 ASP C C 13 176.720 0.314 . 1 . . . . . 13 ASP C . 51959 2 45 . 1 . 1 13 13 ASP CA C 13 55.250 0.119 . 1 . . . . . 13 ASP CA . 51959 2 46 . 1 . 1 13 13 ASP N N 15 120.966 0.054 . 1 . . . . . 13 ASP N . 51959 2 47 . 1 . 1 14 14 GLN H H 1 8.079 0.003 . 1 . . . . . 14 GLN H . 51959 2 48 . 1 . 1 14 14 GLN C C 13 176.853 0.300 . 1 . . . . . 14 GLN C . 51959 2 49 . 1 . 1 14 14 GLN CA C 13 56.996 0.155 . 1 . . . . . 14 GLN CA . 51959 2 50 . 1 . 1 14 14 GLN N N 15 118.713 0.180 . 1 . . . . . 14 GLN N . 51959 2 51 . 1 . 1 15 15 VAL H H 1 8.089 0.008 . 1 . . . . . 15 VAL H . 51959 2 52 . 1 . 1 15 15 VAL C C 13 177.303 0.356 . 1 . . . . . 15 VAL C . 51959 2 53 . 1 . 1 15 15 VAL CA C 13 63.732 0.185 . 1 . . . . . 15 VAL CA . 51959 2 54 . 1 . 1 15 15 VAL N N 15 121.476 0.173 . 1 . . . . . 15 VAL N . 51959 2 55 . 1 . 1 16 16 LYS H H 1 8.242 0.016 . 1 . . . . . 16 LYS H . 51959 2 56 . 1 . 1 16 16 LYS CA C 13 57.438 0.245 . 1 . . . . . 16 LYS CA . 51959 2 57 . 1 . 1 16 16 LYS N N 15 123.733 0.046 . 1 . . . . . 16 LYS N . 51959 2 58 . 1 . 1 17 17 GLU H H 1 8.196 0.016 . 1 . . . . . 17 GLU H . 51959 2 59 . 1 . 1 17 17 GLU C C 13 176.930 0.300 . 1 . . . . . 17 GLU C . 51959 2 60 . 1 . 1 17 17 GLU CA C 13 57.746 0.453 . 1 . . . . . 17 GLU CA . 51959 2 61 . 1 . 1 17 17 GLU N N 15 121.111 0.055 . 1 . . . . . 17 GLU N . 51959 2 62 . 1 . 1 18 18 GLN H H 1 8.153 0.030 . 1 . . . . . 18 GLN H . 51959 2 63 . 1 . 1 18 18 GLN C C 13 176.406 0.209 . 1 . . . . . 18 GLN C . 51959 2 64 . 1 . 1 18 18 GLN CA C 13 56.501 0.120 . 1 . . . . . 18 GLN CA . 51959 2 65 . 1 . 1 18 18 GLN N N 15 120.845 0.042 . 1 . . . . . 18 GLN N . 51959 2 66 . 1 . 1 19 19 LEU H H 1 8.225 0.005 . 1 . . . . . 19 LEU H . 51959 2 67 . 1 . 1 19 19 LEU C C 13 178.099 0.248 . 1 . . . . . 19 LEU C . 51959 2 68 . 1 . 1 19 19 LEU CA C 13 55.382 0.094 . 1 . . . . . 19 LEU CA . 51959 2 69 . 1 . 1 19 19 LEU N N 15 122.797 0.000 . 1 . . . . . 19 LEU N . 51959 2 70 . 1 . 1 20 20 THR H H 1 8.111 0.014 . 1 . . . . . 20 THR H . 51959 2 71 . 1 . 1 20 20 THR C C 13 175.042 0.445 . 1 . . . . . 20 THR C . 51959 2 72 . 1 . 1 20 20 THR CA C 13 62.327 0.191 . 1 . . . . . 20 THR CA . 51959 2 73 . 1 . 1 20 20 THR N N 15 115.227 0.398 . 1 . . . . . 20 THR N . 51959 2 74 . 1 . 1 21 21 GLU H H 1 8.397 0.008 . 1 . . . . . 21 GLU H . 51959 2 75 . 1 . 1 21 21 GLU C C 13 177.406 0.336 . 1 . . . . . 21 GLU C . 51959 2 76 . 1 . 1 21 21 GLU CA C 13 57.342 0.148 . 1 . . . . . 21 GLU CA . 51959 2 77 . 1 . 1 21 21 GLU N N 15 122.930 0.065 . 1 . . . . . 21 GLU N . 51959 2 78 . 1 . 1 22 22 SER H H 1 8.234 0.027 . 1 . . . . . 22 SER H . 51959 2 79 . 1 . 1 22 22 SER C C 13 175.707 0.339 . 1 . . . . . 22 SER C . 51959 2 80 . 1 . 1 22 22 SER CA C 13 59.587 0.308 . 1 . . . . . 22 SER CA . 51959 2 81 . 1 . 1 22 22 SER N N 15 116.535 0.136 . 1 . . . . . 22 SER N . 51959 2 82 . 1 . 1 23 23 GLY H H 1 8.339 0.006 . 1 . . . . . 23 GLY H . 51959 2 83 . 1 . 1 23 23 GLY C C 13 174.830 0.497 . 1 . . . . . 23 GLY C . 51959 2 84 . 1 . 1 23 23 GLY CA C 13 46.343 0.714 . 1 . . . . . 23 GLY CA . 51959 2 85 . 1 . 1 23 23 GLY N N 15 110.252 0.000 . 1 . . . . . 23 GLY N . 51959 2 86 . 1 . 1 24 24 LYS H H 1 7.941 0.003 . 1 . . . . . 24 LYS H . 51959 2 87 . 1 . 1 24 24 LYS C C 13 177.116 0.331 . 1 . . . . . 24 LYS C . 51959 2 88 . 1 . 1 24 24 LYS CA C 13 56.703 0.212 . 1 . . . . . 24 LYS CA . 51959 2 89 . 1 . 1 24 24 LYS N N 15 121.246 0.620 . 1 . . . . . 24 LYS N . 51959 2 90 . 1 . 1 25 25 LYS H H 1 8.224 0.003 . 1 . . . . . 25 LYS H . 51959 2 91 . 1 . 1 25 25 LYS C C 13 176.723 0.270 . 1 . . . . . 25 LYS C . 51959 2 92 . 1 . 1 25 25 LYS CA C 13 56.810 0.268 . 1 . . . . . 25 LYS CA . 51959 2 93 . 1 . 1 25 25 LYS N N 15 122.167 0.071 . 1 . . . . . 25 LYS N . 51959 2 94 . 1 . 1 26 26 ARG H H 1 8.274 0.003 . 1 . . . . . 26 ARG H . 51959 2 95 . 1 . 1 26 26 ARG C C 13 176.897 0.481 . 1 . . . . . 26 ARG C . 51959 2 96 . 1 . 1 26 26 ARG CA C 13 57.145 1.091 . 1 . . . . . 26 ARG CA . 51959 2 97 . 1 . 1 26 26 ARG N N 15 122.207 0.106 . 1 . . . . . 26 ARG N . 51959 2 98 . 1 . 1 27 27 GLY H H 1 8.408 0.010 . 1 . . . . . 27 GLY H . 51959 2 99 . 1 . 1 27 27 GLY C C 13 173.651 0.449 . 1 . . . . . 27 GLY C . 51959 2 100 . 1 . 1 27 27 GLY CA C 13 45.307 0.000 . 1 . . . . . 27 GLY CA . 51959 2 101 . 1 . 1 27 27 GLY N N 15 110.175 0.386 . 1 . . . . . 27 GLY N . 51959 2 102 . 1 . 1 28 28 VAL H H 1 7.923 0.003 . 1 . . . . . 28 VAL H . 51959 2 103 . 1 . 1 28 28 VAL C C 13 175.912 0.279 . 1 . . . . . 28 VAL C . 51959 2 104 . 1 . 1 28 28 VAL CA C 13 61.587 0.129 . 1 . . . . . 28 VAL CA . 51959 2 105 . 1 . 1 28 28 VAL N N 15 119.049 0.057 . 1 . . . . . 28 VAL N . 51959 2 106 . 1 . 1 29 29 LEU H H 1 8.247 0.000 . 1 . . . . . 29 LEU H . 51959 2 107 . 1 . 1 29 29 LEU C C 13 177.276 0.337 . 1 . . . . . 29 LEU C . 51959 2 108 . 1 . 1 29 29 LEU CA C 13 53.315 0.000 . 1 . . . . . 29 LEU CA . 51959 2 109 . 1 . 1 29 29 LEU N N 15 125.759 0.035 . 1 . . . . . 29 LEU N . 51959 2 110 . 1 . 1 30 30 THR H H 1 8.241 0.020 . 1 . . . . . 30 THR H . 51959 2 111 . 1 . 1 30 30 THR C C 13 174.695 0.336 . 1 . . . . . 30 THR C . 51959 2 112 . 1 . 1 30 30 THR CA C 13 60.802 0.136 . 1 . . . . . 30 THR CA . 51959 2 113 . 1 . 1 30 30 THR N N 15 113.109 0.353 . 1 . . . . . 30 THR N . 51959 2 114 . 1 . 1 31 31 TYR H H 1 8.419 0.000 . 1 . . . . . 31 TYR H . 51959 2 115 . 1 . 1 31 31 TYR C C 13 176.674 0.307 . 1 . . . . . 31 TYR C . 51959 2 116 . 1 . 1 31 31 TYR CA C 13 59.846 0.127 . 1 . . . . . 31 TYR CA . 51959 2 117 . 1 . 1 31 31 TYR N N 15 121.426 0.082 . 1 . . . . . 31 TYR N . 51959 2 118 . 1 . 1 32 32 GLU H H 1 8.441 0.024 . 1 . . . . . 32 GLU H . 51959 2 119 . 1 . 1 32 32 GLU C C 13 177.355 0.366 . 1 . . . . . 32 GLU C . 51959 2 120 . 1 . 1 32 32 GLU CA C 13 58.182 0.208 . 1 . . . . . 32 GLU CA . 51959 2 121 . 1 . 1 32 32 GLU N N 15 121.089 0.059 . 1 . . . . . 32 GLU N . 51959 2 122 . 1 . 1 33 33 GLU H H 1 8.045 0.003 . 1 . . . . . 33 GLU H . 51959 2 123 . 1 . 1 33 33 GLU C C 13 178.149 0.400 . 1 . . . . . 33 GLU C . 51959 2 124 . 1 . 1 33 33 GLU CA C 13 57.735 0.319 . 1 . . . . . 33 GLU CA . 51959 2 125 . 1 . 1 33 33 GLU N N 15 121.448 0.129 . 1 . . . . . 33 GLU N . 51959 2 126 . 1 . 1 34 34 ILE H H 1 8.011 0.005 . 1 . . . . . 34 ILE H . 51959 2 127 . 1 . 1 34 34 ILE C C 13 177.278 0.000 . 1 . . . . . 34 ILE C . 51959 2 128 . 1 . 1 34 34 ILE CA C 13 63.242 0.132 . 1 . . . . . 34 ILE CA . 51959 2 129 . 1 . 1 34 34 ILE N N 15 121.121 0.000 . 1 . . . . . 34 ILE N . 51959 2 130 . 1 . 1 35 35 ALA H H 1 8.143 0.016 . 1 . . . . . 35 ALA H . 51959 2 131 . 1 . 1 35 35 ALA C C 13 179.296 0.362 . 1 . . . . . 35 ALA C . 51959 2 132 . 1 . 1 35 35 ALA CA C 13 54.012 0.165 . 1 . . . . . 35 ALA CA . 51959 2 133 . 1 . 1 35 35 ALA N N 15 125.502 0.045 . 1 . . . . . 35 ALA N . 51959 2 134 . 1 . 1 36 36 GLU H H 1 8.173 0.000 . 1 . . . . . 36 GLU H . 51959 2 135 . 1 . 1 36 36 GLU C C 13 177.442 0.253 . 1 . . . . . 36 GLU C . 51959 2 136 . 1 . 1 36 36 GLU CA C 13 57.934 0.168 . 1 . . . . . 36 GLU CA . 51959 2 137 . 1 . 1 36 36 GLU N N 15 118.689 0.204 . 1 . . . . . 36 GLU N . 51959 2 138 . 1 . 1 37 37 ARG H H 1 8.010 0.000 . 1 . . . . . 37 ARG H . 51959 2 139 . 1 . 1 37 37 ARG CA C 13 57.474 0.000 . 1 . . . . . 37 ARG CA . 51959 2 140 . 1 . 1 37 37 ARG N N 15 120.683 0.045 . 1 . . . . . 37 ARG N . 51959 2 141 . 1 . 1 38 38 MET C C 13 177.001 0.507 . 1 . . . . . 38 MET C . 51959 2 142 . 1 . 1 38 38 MET CA C 13 55.886 0.000 . 1 . . . . . 38 MET CA . 51959 2 143 . 1 . 1 38 38 MET N N 15 119.800 0.076 . 1 . . . . . 38 MET N . 51959 2 144 . 1 . 1 39 39 SER H H 1 8.168 0.001 . 1 . . . . . 39 SER H . 51959 2 145 . 1 . 1 39 39 SER C C 13 174.935 0.743 . 1 . . . . . 39 SER C . 51959 2 146 . 1 . 1 39 39 SER CA C 13 59.250 0.384 . 1 . . . . . 39 SER CA . 51959 2 147 . 1 . 1 39 39 SER N N 15 115.944 0.000 . 1 . . . . . 39 SER N . 51959 2 148 . 1 . 1 40 40 SER H H 1 8.016 0.000 . 1 . . . . . 40 SER H . 51959 2 149 . 1 . 1 40 40 SER C C 13 173.764 0.022 . 1 . . . . . 40 SER C . 51959 2 150 . 1 . 1 40 40 SER CA C 13 59.000 1.080 . 1 . . . . . 40 SER CA . 51959 2 151 . 1 . 1 40 40 SER N N 15 117.137 0.094 . 1 . . . . . 40 SER N . 51959 2 152 . 1 . 1 41 41 PHE H H 1 8.008 0.006 . 1 . . . . . 41 PHE H . 51959 2 153 . 1 . 1 41 41 PHE C C 13 174.931 0.432 . 1 . . . . . 41 PHE C . 51959 2 154 . 1 . 1 41 41 PHE CA C 13 57.167 0.000 . 1 . . . . . 41 PHE CA . 51959 2 155 . 1 . 1 41 41 PHE N N 15 121.443 0.050 . 1 . . . . . 41 PHE N . 51959 2 156 . 1 . 1 42 42 GLU H H 1 8.201 0.005 . 1 . . . . . 42 GLU H . 51959 2 157 . 1 . 1 42 42 GLU C C 13 175.801 0.304 . 1 . . . . . 42 GLU C . 51959 2 158 . 1 . 1 42 42 GLU CA C 13 56.016 0.000 . 1 . . . . . 42 GLU CA . 51959 2 159 . 1 . 1 42 42 GLU N N 15 121.595 0.078 . 1 . . . . . 42 GLU N . 51959 2 160 . 1 . 1 43 43 ILE H H 1 8.146 0.000 . 1 . . . . . 43 ILE H . 51959 2 161 . 1 . 1 43 43 ILE C C 13 176.279 0.000 . 1 . . . . . 43 ILE C . 51959 2 162 . 1 . 1 43 43 ILE CA C 13 60.205 0.404 . 1 . . . . . 43 ILE CA . 51959 2 163 . 1 . 1 43 43 ILE N N 15 121.460 0.081 . 1 . . . . . 43 ILE N . 51959 2 164 . 1 . 1 44 44 GLU H H 1 8.458 0.011 . 1 . . . . . 44 GLU H . 51959 2 165 . 1 . 1 44 44 GLU C C 13 177.361 0.411 . 1 . . . . . 44 GLU C . 51959 2 166 . 1 . 1 44 44 GLU CA C 13 55.935 0.000 . 1 . . . . . 44 GLU CA . 51959 2 167 . 1 . 1 44 44 GLU N N 15 125.122 0.227 . 1 . . . . . 44 GLU N . 51959 2 168 . 1 . 1 45 45 SER H H 1 8.278 0.002 . 1 . . . . . 45 SER H . 51959 2 169 . 1 . 1 45 45 SER C C 13 174.602 0.412 . 1 . . . . . 45 SER C . 51959 2 170 . 1 . 1 45 45 SER CA C 13 59.285 0.183 . 1 . . . . . 45 SER CA . 51959 2 171 . 1 . 1 45 45 SER N N 15 116.925 0.097 . 1 . . . . . 45 SER N . 51959 2 172 . 1 . 1 46 46 ASP H H 1 8.360 0.004 . 1 . . . . . 46 ASP H . 51959 2 173 . 1 . 1 46 46 ASP C C 13 176.440 0.298 . 1 . . . . . 46 ASP C . 51959 2 174 . 1 . 1 46 46 ASP CA C 13 54.955 0.127 . 1 . . . . . 46 ASP CA . 51959 2 175 . 1 . 1 46 46 ASP N N 15 122.298 0.053 . 1 . . . . . 46 ASP N . 51959 2 176 . 1 . 1 47 47 GLN H H 1 8.178 0.007 . 1 . . . . . 47 GLN H . 51959 2 177 . 1 . 1 47 47 GLN C C 13 176.299 0.231 . 1 . . . . . 47 GLN C . 51959 2 178 . 1 . 1 47 47 GLN CA C 13 56.390 0.194 . 1 . . . . . 47 GLN CA . 51959 2 179 . 1 . 1 47 47 GLN N N 15 118.715 0.000 . 1 . . . . . 47 GLN N . 51959 2 180 . 1 . 1 48 48 MET H H 1 8.253 0.027 . 1 . . . . . 48 MET H . 51959 2 181 . 1 . 1 48 48 MET C C 13 176.381 0.384 . 1 . . . . . 48 MET C . 51959 2 182 . 1 . 1 48 48 MET CA C 13 56.325 0.000 . 1 . . . . . 48 MET CA . 51959 2 183 . 1 . 1 48 48 MET N N 15 121.012 0.000 . 1 . . . . . 48 MET N . 51959 2 184 . 1 . 1 49 49 ASP H H 1 8.354 0.004 . 1 . . . . . 49 ASP H . 51959 2 185 . 1 . 1 49 49 ASP C C 13 176.618 0.313 . 1 . . . . . 49 ASP C . 51959 2 186 . 1 . 1 49 49 ASP CA C 13 55.627 0.181 . 1 . . . . . 49 ASP CA . 51959 2 187 . 1 . 1 49 49 ASP N N 15 121.333 0.055 . 1 . . . . . 49 ASP N . 51959 2 188 . 1 . 1 50 50 GLU H H 1 8.284 0.004 . 1 . . . . . 50 GLU H . 51959 2 189 . 1 . 1 50 50 GLU C C 13 176.419 0.257 . 1 . . . . . 50 GLU C . 51959 2 190 . 1 . 1 50 50 GLU CA C 13 57.541 0.147 . 1 . . . . . 50 GLU CA . 51959 2 191 . 1 . 1 50 50 GLU N N 15 120.810 0.052 . 1 . . . . . 50 GLU N . 51959 2 192 . 1 . 1 51 51 TYR H H 1 8.051 0.008 . 1 . . . . . 51 TYR H . 51959 2 193 . 1 . 1 51 51 TYR C C 13 175.743 0.430 . 1 . . . . . 51 TYR C . 51959 2 194 . 1 . 1 51 51 TYR CA C 13 58.874 0.471 . 1 . . . . . 51 TYR CA . 51959 2 195 . 1 . 1 51 51 TYR N N 15 121.304 0.124 . 1 . . . . . 51 TYR N . 51959 2 196 . 1 . 1 52 52 TYR H H 1 7.822 0.012 . 1 . . . . . 52 TYR H . 51959 2 197 . 1 . 1 52 52 TYR C C 13 175.852 0.184 . 1 . . . . . 52 TYR C . 51959 2 198 . 1 . 1 52 52 TYR CA C 13 58.468 0.000 . 1 . . . . . 52 TYR CA . 51959 2 199 . 1 . 1 52 52 TYR N N 15 121.837 0.079 . 1 . . . . . 52 TYR N . 51959 2 200 . 1 . 1 53 53 GLU H H 1 8.126 0.000 . 1 . . . . . 53 GLU H . 51959 2 201 . 1 . 1 53 53 GLU C C 13 176.109 0.230 . 1 . . . . . 53 GLU C . 51959 2 202 . 1 . 1 53 53 GLU CA C 13 57.055 0.107 . 1 . . . . . 53 GLU CA . 51959 2 203 . 1 . 1 53 53 GLU N N 15 122.416 0.056 . 1 . . . . . 53 GLU N . 51959 2 204 . 1 . 1 54 54 PHE H H 1 8.086 0.009 . 1 . . . . . 54 PHE H . 51959 2 205 . 1 . 1 54 54 PHE C C 13 176.613 0.432 . 1 . . . . . 54 PHE C . 51959 2 206 . 1 . 1 54 54 PHE CA C 13 58.461 0.123 . 1 . . . . . 54 PHE CA . 51959 2 207 . 1 . 1 54 54 PHE N N 15 121.454 0.080 . 1 . . . . . 54 PHE N . 51959 2 208 . 1 . 1 55 55 LEU H H 1 8.047 0.005 . 1 . . . . . 55 LEU H . 51959 2 209 . 1 . 1 55 55 LEU C C 13 177.913 0.389 . 1 . . . . . 55 LEU C . 51959 2 210 . 1 . 1 55 55 LEU CA C 13 56.131 0.089 . 1 . . . . . 55 LEU CA . 51959 2 211 . 1 . 1 55 55 LEU N N 15 124.239 0.081 . 1 . . . . . 55 LEU N . 51959 2 212 . 1 . 1 56 56 GLY H H 1 7.804 0.000 . 1 . . . . . 56 GLY H . 51959 2 213 . 1 . 1 56 56 GLY C C 13 174.149 0.162 . 1 . . . . . 56 GLY C . 51959 2 214 . 1 . 1 56 56 GLY CA C 13 45.456 0.119 . 1 . . . . . 56 GLY CA . 51959 2 215 . 1 . 1 56 56 GLY N N 15 107.277 0.472 . 1 . . . . . 56 GLY N . 51959 2 216 . 1 . 1 57 57 GLU H H 1 8.204 0.007 . 1 . . . . . 57 GLU H . 51959 2 217 . 1 . 1 57 57 GLU C C 13 177.324 0.409 . 1 . . . . . 57 GLU C . 51959 2 218 . 1 . 1 57 57 GLU CA C 13 57.131 0.310 . 1 . . . . . 57 GLU CA . 51959 2 219 . 1 . 1 57 57 GLU N N 15 120.825 0.059 . 1 . . . . . 57 GLU N . 51959 2 220 . 1 . 1 58 58 GLN H H 1 8.431 0.005 . 1 . . . . . 58 GLN H . 51959 2 221 . 1 . 1 58 58 GLN C C 13 176.703 0.403 . 1 . . . . . 58 GLN C . 51959 2 222 . 1 . 1 58 58 GLN CA C 13 55.305 0.527 . 1 . . . . . 58 GLN CA . 51959 2 223 . 1 . 1 58 58 GLN N N 15 120.728 0.078 . 1 . . . . . 58 GLN N . 51959 2 224 . 1 . 1 59 59 GLY H H 1 8.377 0.046 . 1 . . . . . 59 GLY H . 51959 2 225 . 1 . 1 59 59 GLY C C 13 173.821 0.000 . 1 . . . . . 59 GLY C . 51959 2 226 . 1 . 1 59 59 GLY CA C 13 45.567 0.000 . 1 . . . . . 59 GLY CA . 51959 2 227 . 1 . 1 59 59 GLY N N 15 109.392 0.422 . 1 . . . . . 59 GLY N . 51959 2 228 . 1 . 1 60 60 VAL H H 1 7.891 0.007 . 1 . . . . . 60 VAL H . 51959 2 229 . 1 . 1 60 60 VAL C C 13 175.491 0.400 . 1 . . . . . 60 VAL C . 51959 2 230 . 1 . 1 60 60 VAL CA C 13 61.888 0.000 . 1 . . . . . 60 VAL CA . 51959 2 231 . 1 . 1 60 60 VAL N N 15 119.050 0.045 . 1 . . . . . 60 VAL N . 51959 2 232 . 1 . 1 61 61 GLU H H 1 8.450 0.005 . 1 . . . . . 61 GLU H . 51959 2 233 . 1 . 1 61 61 GLU C C 13 175.641 0.251 . 1 . . . . . 61 GLU C . 51959 2 234 . 1 . 1 61 61 GLU CA C 13 55.951 0.000 . 1 . . . . . 61 GLU CA . 51959 2 235 . 1 . 1 61 61 GLU N N 15 124.957 0.060 . 1 . . . . . 61 GLU N . 51959 2 236 . 1 . 1 62 62 LEU H H 1 8.276 0.002 . 1 . . . . . 62 LEU H . 51959 2 237 . 1 . 1 62 62 LEU C C 13 176.724 0.000 . 1 . . . . . 62 LEU C . 51959 2 238 . 1 . 1 62 62 LEU CA C 13 54.533 0.412 . 1 . . . . . 62 LEU CA . 51959 2 239 . 1 . 1 62 62 LEU N N 15 124.420 0.000 . 1 . . . . . 62 LEU N . 51959 2 240 . 1 . 1 63 63 ILE H H 1 8.121 0.010 . 1 . . . . . 63 ILE H . 51959 2 241 . 1 . 1 63 63 ILE C C 13 175.786 0.754 . 1 . . . . . 63 ILE C . 51959 2 242 . 1 . 1 63 63 ILE CA C 13 60.251 0.427 . 1 . . . . . 63 ILE CA . 51959 2 243 . 1 . 1 63 63 ILE N N 15 122.806 0.063 . 1 . . . . . 63 ILE N . 51959 2 244 . 1 . 1 64 64 SER H H 1 8.395 0.005 . 1 . . . . . 64 SER H . 51959 2 245 . 1 . 1 64 64 SER C C 13 174.842 1.020 . 1 . . . . . 64 SER C . 51959 2 246 . 1 . 1 64 64 SER CA C 13 57.077 0.074 . 1 . . . . . 64 SER CA . 51959 2 247 . 1 . 1 64 64 SER N N 15 120.369 0.053 . 1 . . . . . 64 SER N . 51959 2 248 . 1 . 1 65 65 GLU H H 1 8.512 0.007 . 1 . . . . . 65 GLU H . 51959 2 249 . 1 . 1 65 65 GLU C C 13 175.968 0.294 . 1 . . . . . 65 GLU C . 51959 2 250 . 1 . 1 65 65 GLU CA C 13 57.847 0.000 . 1 . . . . . 65 GLU CA . 51959 2 251 . 1 . 1 65 65 GLU N N 15 123.430 0.082 . 1 . . . . . 65 GLU N . 51959 2 252 . 1 . 1 66 66 ASN H H 1 8.400 0.000 . 1 . . . . . 66 ASN H . 51959 2 253 . 1 . 1 66 66 ASN C C 13 175.129 0.000 . 1 . . . . . 66 ASN C . 51959 2 254 . 1 . 1 66 66 ASN CA C 13 53.175 0.000 . 1 . . . . . 66 ASN CA . 51959 2 255 . 1 . 1 66 66 ASN N N 15 119.145 0.122 . 1 . . . . . 66 ASN N . 51959 2 256 . 1 . 1 67 67 GLU H H 1 8.258 0.000 . 1 . . . . . 67 GLU H . 51959 2 257 . 1 . 1 67 67 GLU C C 13 176.580 0.000 . 1 . . . . . 67 GLU C . 51959 2 258 . 1 . 1 67 67 GLU CA C 13 56.909 0.000 . 1 . . . . . 67 GLU CA . 51959 2 259 . 1 . 1 67 67 GLU N N 15 121.192 0.000 . 1 . . . . . 67 GLU N . 51959 2 260 . 1 . 1 68 68 GLU H H 1 8.368 0.000 . 1 . . . . . 68 GLU H . 51959 2 261 . 1 . 1 68 68 GLU C C 13 176.748 0.000 . 1 . . . . . 68 GLU C . 51959 2 262 . 1 . 1 68 68 GLU CA C 13 56.779 0.000 . 1 . . . . . 68 GLU CA . 51959 2 263 . 1 . 1 68 68 GLU N N 15 121.610 0.000 . 1 . . . . . 68 GLU N . 51959 2 264 . 1 . 1 69 69 THR H H 1 8.072 0.000 . 1 . . . . . 69 THR H . 51959 2 265 . 1 . 1 69 69 THR C C 13 174.654 0.000 . 1 . . . . . 69 THR C . 51959 2 266 . 1 . 1 69 69 THR CA C 13 61.918 0.000 . 1 . . . . . 69 THR CA . 51959 2 267 . 1 . 1 69 69 THR N N 15 114.690 0.000 . 1 . . . . . 69 THR N . 51959 2 268 . 1 . 1 70 70 GLU H H 1 8.381 0.000 . 1 . . . . . 70 GLU H . 51959 2 269 . 1 . 1 70 70 GLU C C 13 176.070 0.000 . 1 . . . . . 70 GLU C . 51959 2 270 . 1 . 1 70 70 GLU CA C 13 56.866 0.000 . 1 . . . . . 70 GLU CA . 51959 2 271 . 1 . 1 70 70 GLU N N 15 122.921 0.000 . 1 . . . . . 70 GLU N . 51959 2 272 . 1 . 1 71 71 ASP H H 1 8.331 0.000 . 1 . . . . . 71 ASP H . 51959 2 273 . 1 . 1 71 71 ASP C C 13 176.467 0.000 . 1 . . . . . 71 ASP C . 51959 2 274 . 1 . 1 71 71 ASP CA C 13 53.958 0.000 . 1 . . . . . 71 ASP CA . 51959 2 275 . 1 . 1 71 71 ASP N N 15 121.243 0.000 . 1 . . . . . 71 ASP N . 51959 2 276 . 1 . 1 72 72 LEU H H 1 8.167 0.000 . 1 . . . . . 72 LEU H . 51959 2 277 . 1 . 1 72 72 LEU C C 13 178.066 0.000 . 1 . . . . . 72 LEU C . 51959 2 278 . 1 . 1 72 72 LEU CA C 13 56.178 0.000 . 1 . . . . . 72 LEU CA . 51959 2 279 . 1 . 1 72 72 LEU N N 15 122.484 0.000 . 1 . . . . . 72 LEU N . 51959 2 280 . 1 . 1 73 73 GLU H H 1 8.226 0.000 . 1 . . . . . 73 GLU H . 51959 2 281 . 1 . 1 73 73 GLU CA C 13 57.029 0.000 . 1 . . . . . 73 GLU CA . 51959 2 282 . 1 . 1 73 73 GLU N N 15 118.596 0.000 . 1 . . . . . 73 GLU N . 51959 2 283 . 1 . 1 74 74 HIS H H 1 7.993 0.000 . 1 . . . . . 74 HIS H . 51959 2 284 . 1 . 1 74 74 HIS N N 15 117.038 0.000 . 1 . . . . . 74 HIS N . 51959 2 285 . 1 . 1 75 75 HIS H H 1 8.226 0.000 . 1 . . . . . 75 HIS H . 51959 2 286 . 1 . 1 75 75 HIS N N 15 118.596 0.000 . 1 . . . . . 75 HIS N . 51959 2 287 . 1 . 1 76 76 HIS H H 1 8.478 0.000 . 1 . . . . . 76 HIS H . 51959 2 288 . 1 . 1 76 76 HIS N N 15 119.515 0.000 . 1 . . . . . 76 HIS N . 51959 2 289 . 1 . 1 77 77 HIS H H 1 8.189 0.000 . 1 . . . . . 77 HIS H . 51959 2 290 . 1 . 1 77 77 HIS N N 15 125.326 0.000 . 1 . . . . . 77 HIS N . 51959 2 stop_ save_