data_52070 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52070 _Entry.Title ; dGAE(297-391) tau CTE-like filaments ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-08-07 _Entry.Accession_date 2023-08-07 _Entry.Last_release_date 2023-08-07 _Entry.Original_release_date 2023-08-07 _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 solid-state _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 Kristine Kitoka . . . . 52070 2 Alons Lends . . . . 52070 3 Gytis Kucinskas . . . . 52070 4 Anna Bula . L. . . 52070 5 Lukas Krasauskas . . . . 52070 6 Vytautas Smirnovas . . . . 52070 7 Monika Zilkova . . . . 52070 8 Branislav Kocacech . . . . 52070 9 Rostislav Skrabana . . . . 52070 10 Jozef Hritz . . . . 52070 11 Kristaps Jaudzems . . . . 52070 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Latvian Institute of Organic Synthesis' . 52070 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52070 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 313 52070 '15N chemical shifts' 69 52070 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 . . 2024-08-28 . original BMRB . 52070 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52070 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 39183704 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; dGAE(297-391) Tau Fragment Promotes Formation of Chronic Traumatic Encephalopathy-Like Tau Filaments ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Angew. Chem. Int. Ed. Engl.' _Citation.Journal_name_full 'Angewandte Chemie (International ed. in English)' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 1521-3773 _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 . _Citation.Page_last . _Citation.Year 2024 _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 Kristine Kitoka . . . . 52070 1 2 Alons Lends . . . . 52070 1 3 Gytis Kucinskas . . . . 52070 1 4 Anna Bula . L. . . 52070 1 5 Lukas Krasauskas . . . . 52070 1 6 Vytautas Smirnovas . . . . 52070 1 7 Monika Zilkova . . . . 52070 1 8 Branislav Kocacech . . . . 52070 1 9 Rostislav Skrabana . . . . 52070 1 10 Jozef Hritz . . . . 52070 1 11 Kristaps Jaudzems . . . . 52070 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52070 _Assembly.ID 1 _Assembly.Name 'dGAE(297-391) filaments in PBS pH 7.4, 5 mM DTT' _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 no _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 dGAE 1 $entity_1 . . yes fibril no no . . . 52070 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52070 _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 ; MIKHVPGGGSVQIVYKPVDL SKVTSKCGSLGNIHHKPGGG QVEVKSEKLDFKDRVQSKIG SLDNITHVPGGGNKKIETHK LTFRENAKAKTDHGAE ; _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 96 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 . 52070 1 2 . ILE . 52070 1 3 . LYS . 52070 1 4 . HIS . 52070 1 5 . VAL . 52070 1 6 . PRO . 52070 1 7 . GLY . 52070 1 8 . GLY . 52070 1 9 . GLY . 52070 1 10 . SER . 52070 1 11 . VAL . 52070 1 12 . GLN . 52070 1 13 . ILE . 52070 1 14 . VAL . 52070 1 15 . TYR . 52070 1 16 . LYS . 52070 1 17 . PRO . 52070 1 18 . VAL . 52070 1 19 . ASP . 52070 1 20 . LEU . 52070 1 21 . SER . 52070 1 22 . LYS . 52070 1 23 . VAL . 52070 1 24 . THR . 52070 1 25 . SER . 52070 1 26 . LYS . 52070 1 27 . CYS . 52070 1 28 . GLY . 52070 1 29 . SER . 52070 1 30 . LEU . 52070 1 31 . GLY . 52070 1 32 . ASN . 52070 1 33 . ILE . 52070 1 34 . HIS . 52070 1 35 . HIS . 52070 1 36 . LYS . 52070 1 37 . PRO . 52070 1 38 . GLY . 52070 1 39 . GLY . 52070 1 40 . GLY . 52070 1 41 . GLN . 52070 1 42 . VAL . 52070 1 43 . GLU . 52070 1 44 . VAL . 52070 1 45 . LYS . 52070 1 46 . SER . 52070 1 47 . GLU . 52070 1 48 . LYS . 52070 1 49 . LEU . 52070 1 50 . ASP . 52070 1 51 . PHE . 52070 1 52 . LYS . 52070 1 53 . ASP . 52070 1 54 . ARG . 52070 1 55 . VAL . 52070 1 56 . GLN . 52070 1 57 . SER . 52070 1 58 . LYS . 52070 1 59 . ILE . 52070 1 60 . GLY . 52070 1 61 . SER . 52070 1 62 . LEU . 52070 1 63 . ASP . 52070 1 64 . ASN . 52070 1 65 . ILE . 52070 1 66 . THR . 52070 1 67 . HIS . 52070 1 68 . VAL . 52070 1 69 . PRO . 52070 1 70 . GLY . 52070 1 71 . GLY . 52070 1 72 . GLY . 52070 1 73 . ASN . 52070 1 74 . LYS . 52070 1 75 . LYS . 52070 1 76 . ILE . 52070 1 77 . GLU . 52070 1 78 . THR . 52070 1 79 . HIS . 52070 1 80 . LYS . 52070 1 81 . LEU . 52070 1 82 . THR . 52070 1 83 . PHE . 52070 1 84 . ARG . 52070 1 85 . GLU . 52070 1 86 . ASN . 52070 1 87 . ALA . 52070 1 88 . LYS . 52070 1 89 . ALA . 52070 1 90 . LYS . 52070 1 91 . THR . 52070 1 92 . ASP . 52070 1 93 . HIS . 52070 1 94 . GLY . 52070 1 95 . ALA . 52070 1 96 . GLU . 52070 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 52070 1 . ILE 2 2 52070 1 . LYS 3 3 52070 1 . HIS 4 4 52070 1 . VAL 5 5 52070 1 . PRO 6 6 52070 1 . GLY 7 7 52070 1 . GLY 8 8 52070 1 . GLY 9 9 52070 1 . SER 10 10 52070 1 . VAL 11 11 52070 1 . GLN 12 12 52070 1 . ILE 13 13 52070 1 . VAL 14 14 52070 1 . TYR 15 15 52070 1 . LYS 16 16 52070 1 . PRO 17 17 52070 1 . VAL 18 18 52070 1 . ASP 19 19 52070 1 . LEU 20 20 52070 1 . SER 21 21 52070 1 . LYS 22 22 52070 1 . VAL 23 23 52070 1 . THR 24 24 52070 1 . SER 25 25 52070 1 . LYS 26 26 52070 1 . CYS 27 27 52070 1 . GLY 28 28 52070 1 . SER 29 29 52070 1 . LEU 30 30 52070 1 . GLY 31 31 52070 1 . ASN 32 32 52070 1 . ILE 33 33 52070 1 . HIS 34 34 52070 1 . HIS 35 35 52070 1 . LYS 36 36 52070 1 . PRO 37 37 52070 1 . GLY 38 38 52070 1 . GLY 39 39 52070 1 . GLY 40 40 52070 1 . GLN 41 41 52070 1 . VAL 42 42 52070 1 . GLU 43 43 52070 1 . VAL 44 44 52070 1 . LYS 45 45 52070 1 . SER 46 46 52070 1 . GLU 47 47 52070 1 . LYS 48 48 52070 1 . LEU 49 49 52070 1 . ASP 50 50 52070 1 . PHE 51 51 52070 1 . LYS 52 52 52070 1 . ASP 53 53 52070 1 . ARG 54 54 52070 1 . VAL 55 55 52070 1 . GLN 56 56 52070 1 . SER 57 57 52070 1 . LYS 58 58 52070 1 . ILE 59 59 52070 1 . GLY 60 60 52070 1 . SER 61 61 52070 1 . LEU 62 62 52070 1 . ASP 63 63 52070 1 . ASN 64 64 52070 1 . ILE 65 65 52070 1 . THR 66 66 52070 1 . HIS 67 67 52070 1 . VAL 68 68 52070 1 . PRO 69 69 52070 1 . GLY 70 70 52070 1 . GLY 71 71 52070 1 . GLY 72 72 52070 1 . ASN 73 73 52070 1 . LYS 74 74 52070 1 . LYS 75 75 52070 1 . ILE 76 76 52070 1 . GLU 77 77 52070 1 . THR 78 78 52070 1 . HIS 79 79 52070 1 . LYS 80 80 52070 1 . LEU 81 81 52070 1 . THR 82 82 52070 1 . PHE 83 83 52070 1 . ARG 84 84 52070 1 . GLU 85 85 52070 1 . ASN 86 86 52070 1 . ALA 87 87 52070 1 . LYS 88 88 52070 1 . ALA 89 89 52070 1 . LYS 90 90 52070 1 . THR 91 91 52070 1 . ASP 92 92 52070 1 . HIS 93 93 52070 1 . GLY 94 94 52070 1 . ALA 95 95 52070 1 . GLU 96 96 52070 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 52070 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 52070 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 52070 _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 . . . plasmid . . pET-17b . . . 52070 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52070 _Sample.ID 1 _Sample.Name U-13C,15N-dGAE _Sample.Type 'fibrous protein' _Sample.Sub_type . _Sample.Details . _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 'dGAE(297-391) filaments' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 25 . . mg . . . . 52070 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 52070 _Sample.ID 2 _Sample.Name noK-dGAE _Sample.Type 'fibrous protein' _Sample.Sub_type . _Sample.Details 'Lysine suppressed sample' _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 'dGAE(297-391) filaments' '[U-100% 13C; U-100% 15N], Lys natural abundance' . . 1 $entity_1 . . 30 . . mg . . . . 52070 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 52070 _Sample.ID 3 _Sample.Name noKLIV-dGAE _Sample.Type 'fibrous protein' _Sample.Sub_type . _Sample.Details 'Lysine, leucine, isoleucine, and valine suppressed sample' _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 'dGAE(297-391) filaments' '[U-100% 13C; U-100% 15N], Lys, Leu, Ile, Val natural abundance' . . 1 $entity_1 . . 30 . . mg . . . . 52070 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 52070 _Sample_condition_list.ID 1 _Sample_condition_list.Name 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 'ionic strength' 154 . mM 52070 1 pH 7.4 . pH 52070 1 pressure 1 . atm 52070 1 temperature 273 . K 52070 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52070 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.6.3 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52070 1 processing . 52070 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52070 _Software.ID 2 _Software.Type . _Software.Name CcpNMR _Software.Version 3.1.0 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52070 2 'peak picking' . 52070 2 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 52070 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '800 MHz Bruker Avance III HD' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 52070 _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 '2D DARR 20 ms' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52070 1 2 '2D DARR 150 ms' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52070 1 3 '2D NCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52070 1 4 '2D NCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52070 1 5 '2D NCACX' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52070 1 6 '3D NCACX' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52070 1 7 '3D NCOCX' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52070 1 8 '3D CANCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52070 1 9 '2D 1H-13C INEPT' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52070 1 10 '2D CAN' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52070 1 11 '2D CON' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52070 1 12 '2D DARR 20 ms' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52070 1 13 '2D DARR 500 ms' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52070 1 14 '2D NCA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52070 1 15 '2D NCO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52070 1 16 '2D NCACX' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52070 1 17 '3D NCOCX' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52070 1 18 '2D DARR 20 ms' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52070 1 19 '2D DARR 100 ms' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52070 1 20 '2D DARR 500 ms' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52070 1 21 '2D NCA' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52070 1 22 '2D NCO' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52070 1 23 '2D NCACX' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52070 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 52070 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name ref _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 adamantane 'methyl carbons' . . . . ppm 38.5 external direct 1 . . . . . 52070 1 N 15 adamantane 'methyl carbons' . . . . ppm 38.5 external indirect . . . . . . 52070 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 52070 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name dGAE_PBS _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 . _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 DARR 20 ms' . . . 52070 1 2 '2D DARR 150 ms' . . . 52070 1 3 '2D NCA' . . . 52070 1 4 '2D NCO' . . . 52070 1 5 '2D NCACX' . . . 52070 1 6 '3D NCACX' . . . 52070 1 7 '3D NCOCX' . . . 52070 1 8 '3D CANCO' . . . 52070 1 9 '2D 1H-13C INEPT' . . . 52070 1 10 '2D CAN' . . . 52070 1 11 '2D CON' . . . 52070 1 12 '2D DARR 20 ms' . . . 52070 1 13 '2D DARR 500 ms' . . . 52070 1 14 '2D NCA' . . . 52070 1 15 '2D NCO' . . . 52070 1 16 '2D NCACX' . . . 52070 1 17 '3D NCOCX' . . . 52070 1 18 '2D DARR 20 ms' . . . 52070 1 19 '2D DARR 100 ms' . . . 52070 1 20 '2D DARR 500 ms' . . . 52070 1 21 '2D NCA' . . . 52070 1 22 '2D NCO' . . . 52070 1 23 '2D NCACX' . . . 52070 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 2 $software_2 . . 52070 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 1 1 MET CE C 13 17.0 . . . . . . . . 1 MET CE . 52070 1 2 . 1 . 1 2 2 ILE CA C 13 61.0 . . . . . . . . 2 ILE CA . 52070 1 3 . 1 . 1 2 2 ILE CB C 13 38.8 . . . . . . . . 2 ILE CB . 52070 1 4 . 1 . 1 2 2 ILE CG1 C 13 27.5 . . . . . . . . 2 ILE CG1 . 52070 1 5 . 1 . 1 2 2 ILE CG2 C 13 17.5 . . . . . . . . 2 ILE CG2 . 52070 1 6 . 1 . 1 2 2 ILE CD1 C 13 13.1 . . . . . . . . 2 ILE CD1 . 52070 1 7 . 1 . 1 4 4 HIS CD2 C 13 120.6 . . . . . . . . 4 HIS CD2 . 52070 1 8 . 1 . 1 4 4 HIS CE1 C 13 138.2 . . . . . . . . 4 HIS CE1 . 52070 1 9 . 1 . 1 5 5 VAL CA C 13 62.0 . . . . . . . . 5 VAL CA . 52070 1 10 . 1 . 1 6 6 PRO CA C 13 62.9 . . . . . . . . 6 PRO CA . 52070 1 11 . 1 . 1 10 10 SER C C 13 174.2 . . . . . . . . 10 SER C . 52070 1 12 . 1 . 1 10 10 SER CB C 13 63.3 . . . . . . . . 10 SER CB . 52070 1 13 . 1 . 1 11 11 VAL C C 13 174.6 . . . . . . . . 11 VAL C . 52070 1 14 . 1 . 1 11 11 VAL CA C 13 61.9 . . . . . . . . 11 VAL CA . 52070 1 15 . 1 . 1 11 11 VAL CB C 13 35.8 . . . . . . . . 11 VAL CB . 52070 1 16 . 1 . 1 11 11 VAL CG1 C 13 21.0 . . . . . . . . 11 VAL CG1 . 52070 1 17 . 1 . 1 11 11 VAL CG2 C 13 21.0 . . . . . . . . 11 VAL CG2 . 52070 1 18 . 1 . 1 11 11 VAL N N 15 122.7 . . . . . . . . 11 VAL N . 52070 1 19 . 1 . 1 12 12 GLN C C 13 174.2 . . . . . . . . 12 GLN C . 52070 1 20 . 1 . 1 12 12 GLN CA C 13 54.2 . . . . . . . . 12 GLN CA . 52070 1 21 . 1 . 1 12 12 GLN CB C 13 33.2 . . . . . . . . 12 GLN CB . 52070 1 22 . 1 . 1 12 12 GLN CG C 13 34.7 . . . . . . . . 12 GLN CG . 52070 1 23 . 1 . 1 12 12 GLN CD C 13 179.6 . . . . . . . . 12 GLN CD . 52070 1 24 . 1 . 1 12 12 GLN N N 15 129.4 . . . . . . . . 12 GLN N . 52070 1 25 . 1 . 1 12 12 GLN NE2 N 15 112.5 . . . . . . . . 12 GLN NE2 . 52070 1 26 . 1 . 1 13 13 ILE C C 13 173.9 . . . . . . . . 13 ILE C . 52070 1 27 . 1 . 1 13 13 ILE CA C 13 60.5 . . . . . . . . 13 ILE CA . 52070 1 28 . 1 . 1 13 13 ILE CB C 13 41.3 . . . . . . . . 13 ILE CB . 52070 1 29 . 1 . 1 13 13 ILE CG1 C 13 27.6 . . . . . . . . 13 ILE CG1 . 52070 1 30 . 1 . 1 13 13 ILE CG2 C 13 17.0 . . . . . . . . 13 ILE CG2 . 52070 1 31 . 1 . 1 13 13 ILE CD1 C 13 14.9 . . . . . . . . 13 ILE CD1 . 52070 1 32 . 1 . 1 13 13 ILE N N 15 126.6 . . . . . . . . 13 ILE N . 52070 1 33 . 1 . 1 14 14 VAL C C 13 172.6 . . . . . . . . 14 VAL C . 52070 1 34 . 1 . 1 14 14 VAL CA C 13 61.6 . . . . . . . . 14 VAL CA . 52070 1 35 . 1 . 1 14 14 VAL CB C 13 34.1 . . . . . . . . 14 VAL CB . 52070 1 36 . 1 . 1 14 14 VAL CG1 C 13 21.8 . . . . . . . . 14 VAL CG1 . 52070 1 37 . 1 . 1 14 14 VAL CG2 C 13 20.2 . . . . . . . . 14 VAL CG2 . 52070 1 38 . 1 . 1 14 14 VAL N N 15 128.0 . . . . . . . . 14 VAL N . 52070 1 39 . 1 . 1 15 15 TYR C C 13 173.0 . . . . . . . . 15 TYR C . 52070 1 40 . 1 . 1 15 15 TYR CA C 13 57.6 . . . . . . . . 15 TYR CA . 52070 1 41 . 1 . 1 15 15 TYR CB C 13 40.1 . . . . . . . . 15 TYR CB . 52070 1 42 . 1 . 1 15 15 TYR CG C 13 127.8 . . . . . . . . 15 TYR CG . 52070 1 43 . 1 . 1 15 15 TYR CD1 C 13 134.9 . . . . . . . . 15 TYR CD1 . 52070 1 44 . 1 . 1 15 15 TYR CD2 C 13 134.4 . . . . . . . . 15 TYR CD2 . 52070 1 45 . 1 . 1 15 15 TYR CE1 C 13 120.3 . . . . . . . . 15 TYR CE1 . 52070 1 46 . 1 . 1 15 15 TYR CE2 C 13 117.9 . . . . . . . . 15 TYR CE2 . 52070 1 47 . 1 . 1 15 15 TYR CZ C 13 157.6 . . . . . . . . 15 TYR CZ . 52070 1 48 . 1 . 1 15 15 TYR N N 15 131.8 . . . . . . . . 15 TYR N . 52070 1 49 . 1 . 1 16 16 LYS C C 13 170.8 . . . . . . . . 16 LYS C . 52070 1 50 . 1 . 1 16 16 LYS CA C 13 54.6 . . . . . . . . 16 LYS CA . 52070 1 51 . 1 . 1 16 16 LYS CB C 13 33.5 . . . . . . . . 16 LYS CB . 52070 1 52 . 1 . 1 16 16 LYS CG C 13 24.9 . . . . . . . . 16 LYS CG . 52070 1 53 . 1 . 1 16 16 LYS CD C 13 30.6 . . . . . . . . 16 LYS CD . 52070 1 54 . 1 . 1 16 16 LYS CE C 13 41.6 . . . . . . . . 16 LYS CE . 52070 1 55 . 1 . 1 16 16 LYS N N 15 124.6 . . . . . . . . 16 LYS N . 52070 1 56 . 1 . 1 17 17 PRO C C 13 175.1 . . . . . . . . 17 PRO C . 52070 1 57 . 1 . 1 17 17 PRO CA C 13 63.7 . . . . . . . . 17 PRO CA . 52070 1 58 . 1 . 1 17 17 PRO CB C 13 33.2 . . . . . . . . 17 PRO CB . 52070 1 59 . 1 . 1 17 17 PRO CG C 13 27.7 . . . . . . . . 17 PRO CG . 52070 1 60 . 1 . 1 17 17 PRO CD C 13 51.2 . . . . . . . . 17 PRO CD . 52070 1 61 . 1 . 1 17 17 PRO N N 15 135.3 . . . . . . . . 17 PRO N . 52070 1 62 . 1 . 1 18 18 VAL C C 13 174.9 . . . . . . . . 18 VAL C . 52070 1 63 . 1 . 1 18 18 VAL CA C 13 61.8 . . . . . . . . 18 VAL CA . 52070 1 64 . 1 . 1 18 18 VAL CB C 13 36.1 . . . . . . . . 18 VAL CB . 52070 1 65 . 1 . 1 18 18 VAL CG1 C 13 21.5 . . . . . . . . 18 VAL CG1 . 52070 1 66 . 1 . 1 18 18 VAL CG2 C 13 21.5 . . . . . . . . 18 VAL CG2 . 52070 1 67 . 1 . 1 18 18 VAL N N 15 119.5 . . . . . . . . 18 VAL N . 52070 1 68 . 1 . 1 19 19 ASP C C 13 173.9 . . . . . . . . 19 ASP C . 52070 1 69 . 1 . 1 19 19 ASP CA C 13 53.4 . . . . . . . . 19 ASP CA . 52070 1 70 . 1 . 1 19 19 ASP CB C 13 46.1 . . . . . . . . 19 ASP CB . 52070 1 71 . 1 . 1 19 19 ASP CG C 13 182.5 . . . . . . . . 19 ASP CG . 52070 1 72 . 1 . 1 19 19 ASP N N 15 128.2 . . . . . . . . 19 ASP N . 52070 1 73 . 1 . 1 22 22 LYS C C 13 174.6 . . . . . . . . 22 LYS C . 52070 1 74 . 1 . 1 22 22 LYS CA C 13 54.7 . . . . . . . . 22 LYS CA . 52070 1 75 . 1 . 1 22 22 LYS CB C 13 37.3 . . . . . . . . 22 LYS CB . 52070 1 76 . 1 . 1 22 22 LYS N N 15 126.4 . . . . . . . . 22 LYS N . 52070 1 77 . 1 . 1 23 23 VAL C C 13 175.3 . . . . . . . . 23 VAL C . 52070 1 78 . 1 . 1 23 23 VAL CA C 13 61.1 . . . . . . . . 23 VAL CA . 52070 1 79 . 1 . 1 23 23 VAL CB C 13 35.8 . . . . . . . . 23 VAL CB . 52070 1 80 . 1 . 1 23 23 VAL CG1 C 13 22.0 . . . . . . . . 23 VAL CG1 . 52070 1 81 . 1 . 1 23 23 VAL CG2 C 13 22.0 . . . . . . . . 23 VAL CG2 . 52070 1 82 . 1 . 1 23 23 VAL N N 15 124.6 . . . . . . . . 23 VAL N . 52070 1 83 . 1 . 1 24 24 THR C C 13 173.2 . . . . . . . . 24 THR C . 52070 1 84 . 1 . 1 24 24 THR CA C 13 61.7 . . . . . . . . 24 THR CA . 52070 1 85 . 1 . 1 24 24 THR CB C 13 69.9 . . . . . . . . 24 THR CB . 52070 1 86 . 1 . 1 24 24 THR CG2 C 13 21.8 . . . . . . . . 24 THR CG2 . 52070 1 87 . 1 . 1 24 24 THR N N 15 127.0 . . . . . . . . 24 THR N . 52070 1 88 . 1 . 1 25 25 SER C C 13 172.7 . . . . . . . . 25 SER C . 52070 1 89 . 1 . 1 25 25 SER CA C 13 55.6 . . . . . . . . 25 SER CA . 52070 1 90 . 1 . 1 25 25 SER CB C 13 66.0 . . . . . . . . 25 SER CB . 52070 1 91 . 1 . 1 25 25 SER N N 15 121.8 . . . . . . . . 25 SER N . 52070 1 92 . 1 . 1 26 26 LYS C C 13 177.6 . . . . . . . . 26 LYS C . 52070 1 93 . 1 . 1 26 26 LYS CA C 13 55.1 . . . . . . . . 26 LYS CA . 52070 1 94 . 1 . 1 26 26 LYS CB C 13 37.7 . . . . . . . . 26 LYS CB . 52070 1 95 . 1 . 1 26 26 LYS CG C 13 26.0 . . . . . . . . 26 LYS CG . 52070 1 96 . 1 . 1 26 26 LYS CD C 13 30.3 . . . . . . . . 26 LYS CD . 52070 1 97 . 1 . 1 26 26 LYS N N 15 123.0 . . . . . . . . 26 LYS N . 52070 1 98 . 1 . 1 27 27 CYS C C 13 172.9 . . . . . . . . 27 CYS C . 52070 1 99 . 1 . 1 27 27 CYS CA C 13 60.4 . . . . . . . . 27 CYS CA . 52070 1 100 . 1 . 1 27 27 CYS CB C 13 24.9 . . . . . . . . 27 CYS CB . 52070 1 101 . 1 . 1 27 27 CYS N N 15 123.3 . . . . . . . . 27 CYS N . 52070 1 102 . 1 . 1 28 28 GLY C C 13 174.3 . . . . . . . . 28 GLY C . 52070 1 103 . 1 . 1 28 28 GLY CA C 13 47.6 . . . . . . . . 28 GLY CA . 52070 1 104 . 1 . 1 28 28 GLY N N 15 114.7 . . . . . . . . 28 GLY N . 52070 1 105 . 1 . 1 29 29 SER C C 13 173.0 . . . . . . . . 29 SER C . 52070 1 106 . 1 . 1 29 29 SER CA C 13 58.8 . . . . . . . . 29 SER CA . 52070 1 107 . 1 . 1 29 29 SER CB C 13 67.1 . . . . . . . . 29 SER CB . 52070 1 108 . 1 . 1 29 29 SER N N 15 112.3 . . . . . . . . 29 SER N . 52070 1 109 . 1 . 1 30 30 LEU C C 13 177.9 . . . . . . . . 30 LEU C . 52070 1 110 . 1 . 1 30 30 LEU CA C 13 55.3 . . . . . . . . 30 LEU CA . 52070 1 111 . 1 . 1 30 30 LEU CB C 13 46.9 . . . . . . . . 30 LEU CB . 52070 1 112 . 1 . 1 30 30 LEU CG C 13 29.9 . . . . . . . . 30 LEU CG . 52070 1 113 . 1 . 1 30 30 LEU CD1 C 13 25.7 . . . . . . . . 30 LEU CD1 . 52070 1 114 . 1 . 1 30 30 LEU CD2 C 13 25.7 . . . . . . . . 30 LEU CD2 . 52070 1 115 . 1 . 1 30 30 LEU N N 15 118.0 . . . . . . . . 30 LEU N . 52070 1 116 . 1 . 1 31 31 GLY C C 13 170.3 . . . . . . . . 31 GLY C . 52070 1 117 . 1 . 1 31 31 GLY CA C 13 45.2 . . . . . . . . 31 GLY CA . 52070 1 118 . 1 . 1 31 31 GLY N N 15 107.0 . . . . . . . . 31 GLY N . 52070 1 119 . 1 . 1 32 32 ASN C C 13 173.6 . . . . . . . . 32 ASN C . 52070 1 120 . 1 . 1 32 32 ASN CA C 13 54.8 . . . . . . . . 32 ASN CA . 52070 1 121 . 1 . 1 32 32 ASN CB C 13 41.8 . . . . . . . . 32 ASN CB . 52070 1 122 . 1 . 1 32 32 ASN CG C 13 179.3 . . . . . . . . 32 ASN CG . 52070 1 123 . 1 . 1 32 32 ASN N N 15 125.6 . . . . . . . . 32 ASN N . 52070 1 124 . 1 . 1 32 32 ASN ND2 N 15 120.1 . . . . . . . . 32 ASN ND2 . 52070 1 125 . 1 . 1 33 33 ILE C C 13 173.5 . . . . . . . . 33 ILE C . 52070 1 126 . 1 . 1 33 33 ILE CA C 13 61.1 . . . . . . . . 33 ILE CA . 52070 1 127 . 1 . 1 33 33 ILE CB C 13 44.5 . . . . . . . . 33 ILE CB . 52070 1 128 . 1 . 1 33 33 ILE CG1 C 13 28.4 . . . . . . . . 33 ILE CG1 . 52070 1 129 . 1 . 1 33 33 ILE CG2 C 13 17.5 . . . . . . . . 33 ILE CG2 . 52070 1 130 . 1 . 1 33 33 ILE CD1 C 13 15.7 . . . . . . . . 33 ILE CD1 . 52070 1 131 . 1 . 1 33 33 ILE N N 15 121.1 . . . . . . . . 33 ILE N . 52070 1 132 . 1 . 1 34 34 HIS C C 13 171.8 . . . . . . . . 34 HIS C . 52070 1 133 . 1 . 1 34 34 HIS CA C 13 55.9 . . . . . . . . 34 HIS CA . 52070 1 134 . 1 . 1 34 34 HIS CB C 13 32.7 . . . . . . . . 34 HIS CB . 52070 1 135 . 1 . 1 34 34 HIS CD2 C 13 116.0 . . . . . . . . 34 HIS CD2 . 52070 1 136 . 1 . 1 34 34 HIS CE1 C 13 137.0 . . . . . . . . 34 HIS CE1 . 52070 1 137 . 1 . 1 34 34 HIS N N 15 126.7 . . . . . . . . 34 HIS N . 52070 1 138 . 1 . 1 35 35 HIS C C 13 172.0 . . . . . . . . 35 HIS C . 52070 1 139 . 1 . 1 35 35 HIS CA C 13 55.7 . . . . . . . . 35 HIS CA . 52070 1 140 . 1 . 1 35 35 HIS CB C 13 32.6 . . . . . . . . 35 HIS CB . 52070 1 141 . 1 . 1 35 35 HIS CD2 C 13 116.5 . . . . . . . . 35 HIS CD2 . 52070 1 142 . 1 . 1 35 35 HIS CE1 C 13 136.6 . . . . . . . . 35 HIS CE1 . 52070 1 143 . 1 . 1 35 35 HIS N N 15 130.3 . . . . . . . . 35 HIS N . 52070 1 144 . 1 . 1 36 36 LYS C C 13 171.0 . . . . . . . . 36 LYS C . 52070 1 145 . 1 . 1 36 36 LYS CA C 13 57.2 . . . . . . . . 36 LYS CA . 52070 1 146 . 1 . 1 36 36 LYS CB C 13 33.0 . . . . . . . . 36 LYS CB . 52070 1 147 . 1 . 1 36 36 LYS CG C 13 25.3 . . . . . . . . 36 LYS CG . 52070 1 148 . 1 . 1 36 36 LYS CD C 13 31.2 . . . . . . . . 36 LYS CD . 52070 1 149 . 1 . 1 36 36 LYS CE C 13 41.3 . . . . . . . . 36 LYS CE . 52070 1 150 . 1 . 1 36 36 LYS N N 15 127.9 . . . . . . . . 36 LYS N . 52070 1 151 . 1 . 1 37 37 PRO C C 13 177.4 . . . . . . . . 37 PRO C . 52070 1 152 . 1 . 1 37 37 PRO CA C 13 63.7 . . . . . . . . 37 PRO CA . 52070 1 153 . 1 . 1 37 37 PRO CB C 13 32.8 . . . . . . . . 37 PRO CB . 52070 1 154 . 1 . 1 37 37 PRO CG C 13 29.3 . . . . . . . . 37 PRO CG . 52070 1 155 . 1 . 1 37 37 PRO CD C 13 50.1 . . . . . . . . 37 PRO CD . 52070 1 156 . 1 . 1 37 37 PRO N N 15 129.9 . . . . . . . . 37 PRO N . 52070 1 157 . 1 . 1 38 38 GLY C C 13 175.6 . . . . . . . . 38 GLY C . 52070 1 158 . 1 . 1 38 38 GLY CA C 13 45.0 . . . . . . . . 38 GLY CA . 52070 1 159 . 1 . 1 38 38 GLY N N 15 110.9 . . . . . . . . 38 GLY N . 52070 1 160 . 1 . 1 39 39 GLY C C 13 177.0 . . . . . . . . 39 GLY C . 52070 1 161 . 1 . 1 39 39 GLY CA C 13 44.1 . . . . . . . . 39 GLY CA . 52070 1 162 . 1 . 1 39 39 GLY N N 15 111.3 . . . . . . . . 39 GLY N . 52070 1 163 . 1 . 1 40 40 GLY C C 13 173.6 . . . . . . . . 40 GLY C . 52070 1 164 . 1 . 1 40 40 GLY CA C 13 44.1 . . . . . . . . 40 GLY CA . 52070 1 165 . 1 . 1 40 40 GLY N N 15 106.8 . . . . . . . . 40 GLY N . 52070 1 166 . 1 . 1 41 41 GLN C C 13 172.8 . . . . . . . . 41 GLN C . 52070 1 167 . 1 . 1 41 41 GLN CA C 13 57.0 . . . . . . . . 41 GLN CA . 52070 1 168 . 1 . 1 41 41 GLN CB C 13 27.9 . . . . . . . . 41 GLN CB . 52070 1 169 . 1 . 1 41 41 GLN CG C 13 30.1 . . . . . . . . 41 GLN CG . 52070 1 170 . 1 . 1 41 41 GLN CD C 13 176.7 . . . . . . . . 41 GLN CD . 52070 1 171 . 1 . 1 41 41 GLN N N 15 122.7 . . . . . . . . 41 GLN N . 52070 1 172 . 1 . 1 41 41 GLN NE2 N 15 106.6 . . . . . . . . 41 GLN NE2 . 52070 1 173 . 1 . 1 42 42 VAL C C 13 173.6 . . . . . . . . 42 VAL C . 52070 1 174 . 1 . 1 42 42 VAL CA C 13 61.6 . . . . . . . . 42 VAL CA . 52070 1 175 . 1 . 1 42 42 VAL CB C 13 36.4 . . . . . . . . 42 VAL CB . 52070 1 176 . 1 . 1 42 42 VAL CG1 C 13 21.2 . . . . . . . . 42 VAL CG1 . 52070 1 177 . 1 . 1 42 42 VAL CG2 C 13 21.2 . . . . . . . . 42 VAL CG2 . 52070 1 178 . 1 . 1 42 42 VAL N N 15 119.0 . . . . . . . . 42 VAL N . 52070 1 179 . 1 . 1 43 43 GLU C C 13 173.4 . . . . . . . . 43 GLU C . 52070 1 180 . 1 . 1 43 43 GLU CA C 13 54.3 . . . . . . . . 43 GLU CA . 52070 1 181 . 1 . 1 43 43 GLU CB C 13 33.2 . . . . . . . . 43 GLU CB . 52070 1 182 . 1 . 1 43 43 GLU CG C 13 36.1 . . . . . . . . 43 GLU CG . 52070 1 183 . 1 . 1 43 43 GLU CD C 13 182.2 . . . . . . . . 43 GLU CD . 52070 1 184 . 1 . 1 43 43 GLU N N 15 131.4 . . . . . . . . 43 GLU N . 52070 1 185 . 1 . 1 44 44 VAL C C 13 175.5 . . . . . . . . 44 VAL C . 52070 1 186 . 1 . 1 44 44 VAL CA C 13 60.0 . . . . . . . . 44 VAL CA . 52070 1 187 . 1 . 1 44 44 VAL CB C 13 34.4 . . . . . . . . 44 VAL CB . 52070 1 188 . 1 . 1 44 44 VAL CG1 C 13 21.5 . . . . . . . . 44 VAL CG1 . 52070 1 189 . 1 . 1 44 44 VAL CG2 C 13 21.5 . . . . . . . . 44 VAL CG2 . 52070 1 190 . 1 . 1 44 44 VAL N N 15 127.1 . . . . . . . . 44 VAL N . 52070 1 191 . 1 . 1 45 45 LYS C C 13 175.3 . . . . . . . . 45 LYS C . 52070 1 192 . 1 . 1 45 45 LYS CA C 13 54.4 . . . . . . . . 45 LYS CA . 52070 1 193 . 1 . 1 45 45 LYS CB C 13 38.1 . . . . . . . . 45 LYS CB . 52070 1 194 . 1 . 1 45 45 LYS CG C 13 24.1 . . . . . . . . 45 LYS CG . 52070 1 195 . 1 . 1 45 45 LYS CD C 13 31.9 . . . . . . . . 45 LYS CD . 52070 1 196 . 1 . 1 45 45 LYS CE C 13 42.3 . . . . . . . . 45 LYS CE . 52070 1 197 . 1 . 1 45 45 LYS N N 15 115.2 . . . . . . . . 45 LYS N . 52070 1 198 . 1 . 1 46 46 SER C C 13 172.4 . . . . . . . . 46 SER C . 52070 1 199 . 1 . 1 46 46 SER CA C 13 57.0 . . . . . . . . 46 SER CA . 52070 1 200 . 1 . 1 46 46 SER CB C 13 64.9 . . . . . . . . 46 SER CB . 52070 1 201 . 1 . 1 46 46 SER N N 15 111.7 . . . . . . . . 46 SER N . 52070 1 202 . 1 . 1 47 47 GLU C C 13 175.6 . . . . . . . . 47 GLU C . 52070 1 203 . 1 . 1 47 47 GLU CA C 13 55.0 . . . . . . . . 47 GLU CA . 52070 1 204 . 1 . 1 47 47 GLU CB C 13 33.9 . . . . . . . . 47 GLU CB . 52070 1 205 . 1 . 1 47 47 GLU CG C 13 35.0 . . . . . . . . 47 GLU CG . 52070 1 206 . 1 . 1 47 47 GLU CD C 13 181.5 . . . . . . . . 47 GLU CD . 52070 1 207 . 1 . 1 47 47 GLU N N 15 132.0 . . . . . . . . 47 GLU N . 52070 1 208 . 1 . 1 48 48 LYS C C 13 174.9 . . . . . . . . 48 LYS C . 52070 1 209 . 1 . 1 48 48 LYS CA C 13 55.7 . . . . . . . . 48 LYS CA . 52070 1 210 . 1 . 1 48 48 LYS CB C 13 35.7 . . . . . . . . 48 LYS CB . 52070 1 211 . 1 . 1 48 48 LYS CG C 13 25.6 . . . . . . . . 48 LYS CG . 52070 1 212 . 1 . 1 48 48 LYS CD C 13 30.3 . . . . . . . . 48 LYS CD . 52070 1 213 . 1 . 1 48 48 LYS CE C 13 42.3 . . . . . . . . 48 LYS CE . 52070 1 214 . 1 . 1 48 48 LYS N N 15 130.7 . . . . . . . . 48 LYS N . 52070 1 215 . 1 . 1 49 49 LEU C C 13 175.8 . . . . . . . . 49 LEU C . 52070 1 216 . 1 . 1 49 49 LEU CA C 13 55.0 . . . . . . . . 49 LEU CA . 52070 1 217 . 1 . 1 49 49 LEU CB C 13 44.9 . . . . . . . . 49 LEU CB . 52070 1 218 . 1 . 1 49 49 LEU CG C 13 30.7 . . . . . . . . 49 LEU CG . 52070 1 219 . 1 . 1 49 49 LEU CD1 C 13 24.6 . . . . . . . . 49 LEU CD1 . 52070 1 220 . 1 . 1 49 49 LEU CD2 C 13 24.6 . . . . . . . . 49 LEU CD2 . 52070 1 221 . 1 . 1 49 49 LEU N N 15 127.5 . . . . . . . . 49 LEU N . 52070 1 222 . 1 . 1 50 50 ASP C C 13 173.8 . . . . . . . . 50 ASP C . 52070 1 223 . 1 . 1 50 50 ASP CA C 13 53.0 . . . . . . . . 50 ASP CA . 52070 1 224 . 1 . 1 50 50 ASP CB C 13 44.9 . . . . . . . . 50 ASP CB . 52070 1 225 . 1 . 1 50 50 ASP CG C 13 181.2 . . . . . . . . 50 ASP CG . 52070 1 226 . 1 . 1 50 50 ASP N N 15 123.8 . . . . . . . . 50 ASP N . 52070 1 227 . 1 . 1 51 51 PHE C C 13 175.2 . . . . . . . . 51 PHE C . 52070 1 228 . 1 . 1 51 51 PHE CA C 13 57.9 . . . . . . . . 51 PHE CA . 52070 1 229 . 1 . 1 51 51 PHE CB C 13 39.7 . . . . . . . . 51 PHE CB . 52070 1 230 . 1 . 1 51 51 PHE CD1 C 13 131.9 . . . . . . . . 51 PHE CD1 . 52070 1 231 . 1 . 1 51 51 PHE CD2 C 13 131.9 . . . . . . . . 51 PHE CD2 . 52070 1 232 . 1 . 1 51 51 PHE CE1 C 13 131.2 . . . . . . . . 51 PHE CE1 . 52070 1 233 . 1 . 1 51 51 PHE CE2 C 13 131.2 . . . . . . . . 51 PHE CE2 . 52070 1 234 . 1 . 1 51 51 PHE CZ C 13 129.8 . . . . . . . . 51 PHE CZ . 52070 1 235 . 1 . 1 51 51 PHE N N 15 124.1 . . . . . . . . 51 PHE N . 52070 1 236 . 1 . 1 54 54 ARG C C 13 173.0 . . . . . . . . 54 ARG C . 52070 1 237 . 1 . 1 54 54 ARG CA C 13 56.0 . . . . . . . . 54 ARG CA . 52070 1 238 . 1 . 1 54 54 ARG CB C 13 32.7 . . . . . . . . 54 ARG CB . 52070 1 239 . 1 . 1 54 54 ARG CG C 13 28.8 . . . . . . . . 54 ARG CG . 52070 1 240 . 1 . 1 54 54 ARG CD C 13 44.0 . . . . . . . . 54 ARG CD . 52070 1 241 . 1 . 1 54 54 ARG CZ C 13 159.6 . . . . . . . . 54 ARG CZ . 52070 1 242 . 1 . 1 54 54 ARG N N 15 120.1 . . . . . . . . 54 ARG N . 52070 1 243 . 1 . 1 55 55 VAL C C 13 174.9 . . . . . . . . 55 VAL C . 52070 1 244 . 1 . 1 55 55 VAL CA C 13 61.5 . . . . . . . . 55 VAL CA . 52070 1 245 . 1 . 1 55 55 VAL CB C 13 32.9 . . . . . . . . 55 VAL CB . 52070 1 246 . 1 . 1 55 55 VAL CG1 C 13 22.4 . . . . . . . . 55 VAL CG1 . 52070 1 247 . 1 . 1 55 55 VAL CG2 C 13 19.8 . . . . . . . . 55 VAL CG2 . 52070 1 248 . 1 . 1 55 55 VAL N N 15 128.7 . . . . . . . . 55 VAL N . 52070 1 249 . 1 . 1 56 56 GLN C C 13 173.2 . . . . . . . . 56 GLN C . 52070 1 250 . 1 . 1 56 56 GLN CA C 13 53.6 . . . . . . . . 56 GLN CA . 52070 1 251 . 1 . 1 56 56 GLN CB C 13 34.5 . . . . . . . . 56 GLN CB . 52070 1 252 . 1 . 1 56 56 GLN CG C 13 35.0 . . . . . . . . 56 GLN CG . 52070 1 253 . 1 . 1 56 56 GLN CD C 13 180.1 . . . . . . . . 56 GLN CD . 52070 1 254 . 1 . 1 56 56 GLN N N 15 121.2 . . . . . . . . 56 GLN N . 52070 1 255 . 1 . 1 57 57 SER C C 13 173.5 . . . . . . . . 57 SER C . 52070 1 256 . 1 . 1 57 57 SER CA C 13 56.2 . . . . . . . . 57 SER CA . 52070 1 257 . 1 . 1 57 57 SER CB C 13 65.3 . . . . . . . . 57 SER CB . 52070 1 258 . 1 . 1 57 57 SER N N 15 117.8 . . . . . . . . 57 SER N . 52070 1 259 . 1 . 1 58 58 LYS C C 13 173.8 . . . . . . . . 58 LYS C . 52070 1 260 . 1 . 1 58 58 LYS CA C 13 55.0 . . . . . . . . 58 LYS CA . 52070 1 261 . 1 . 1 58 58 LYS CB C 13 36.0 . . . . . . . . 58 LYS CB . 52070 1 262 . 1 . 1 58 58 LYS CG C 13 25.9 . . . . . . . . 58 LYS CG . 52070 1 263 . 1 . 1 58 58 LYS N N 15 126.6 . . . . . . . . 58 LYS N . 52070 1 264 . 1 . 1 59 59 ILE C C 13 177.3 . . . . . . . . 59 ILE C . 52070 1 265 . 1 . 1 59 59 ILE CA C 13 59.6 . . . . . . . . 59 ILE CA . 52070 1 266 . 1 . 1 59 59 ILE CB C 13 42.8 . . . . . . . . 59 ILE CB . 52070 1 267 . 1 . 1 59 59 ILE CG1 C 13 27.5 . . . . . . . . 59 ILE CG1 . 52070 1 268 . 1 . 1 59 59 ILE CG2 C 13 18.1 . . . . . . . . 59 ILE CG2 . 52070 1 269 . 1 . 1 59 59 ILE CD1 C 13 14.6 . . . . . . . . 59 ILE CD1 . 52070 1 270 . 1 . 1 59 59 ILE N N 15 125.2 . . . . . . . . 59 ILE N . 52070 1 271 . 1 . 1 60 60 GLY C C 13 173.9 . . . . . . . . 60 GLY C . 52070 1 272 . 1 . 1 60 60 GLY CA C 13 48.7 . . . . . . . . 60 GLY CA . 52070 1 273 . 1 . 1 60 60 GLY N N 15 118.3 . . . . . . . . 60 GLY N . 52070 1 274 . 1 . 1 61 61 SER C C 13 171.3 . . . . . . . . 61 SER C . 52070 1 275 . 1 . 1 61 61 SER CA C 13 56.7 . . . . . . . . 61 SER CA . 52070 1 276 . 1 . 1 61 61 SER CB C 13 66.2 . . . . . . . . 61 SER CB . 52070 1 277 . 1 . 1 61 61 SER N N 15 115.2 . . . . . . . . 61 SER N . 52070 1 278 . 1 . 1 62 62 LEU CA C 13 54.1 . . . . . . . . 62 LEU CA . 52070 1 279 . 1 . 1 62 62 LEU CB C 13 45.5 . . . . . . . . 62 LEU CB . 52070 1 280 . 1 . 1 62 62 LEU CG C 13 29.5 . . . . . . . . 62 LEU CG . 52070 1 281 . 1 . 1 62 62 LEU CD1 C 13 26.4 . . . . . . . . 62 LEU CD1 . 52070 1 282 . 1 . 1 62 62 LEU CD2 C 13 26.4 . . . . . . . . 62 LEU CD2 . 52070 1 283 . 1 . 1 63 63 ASP C C 13 174.9 . . . . . . . . 63 ASP C . 52070 1 284 . 1 . 1 63 63 ASP CA C 13 52.4 . . . . . . . . 63 ASP CA . 52070 1 285 . 1 . 1 63 63 ASP CB C 13 40.6 . . . . . . . . 63 ASP CB . 52070 1 286 . 1 . 1 63 63 ASP CG C 13 180.8 . . . . . . . . 63 ASP CG . 52070 1 287 . 1 . 1 63 63 ASP N N 15 118.2 . . . . . . . . 63 ASP N . 52070 1 288 . 1 . 1 64 64 ASN C C 13 173.5 . . . . . . . . 64 ASN C . 52070 1 289 . 1 . 1 64 64 ASN CA C 13 55.1 . . . . . . . . 64 ASN CA . 52070 1 290 . 1 . 1 64 64 ASN CB C 13 41.9 . . . . . . . . 64 ASN CB . 52070 1 291 . 1 . 1 64 64 ASN CG C 13 177.9 . . . . . . . . 64 ASN CG . 52070 1 292 . 1 . 1 64 64 ASN N N 15 124.8 . . . . . . . . 64 ASN N . 52070 1 293 . 1 . 1 64 64 ASN ND2 N 15 120.2 . . . . . . . . 64 ASN ND2 . 52070 1 294 . 1 . 1 65 65 ILE C C 13 173.2 . . . . . . . . 65 ILE C . 52070 1 295 . 1 . 1 65 65 ILE CA C 13 60.7 . . . . . . . . 65 ILE CA . 52070 1 296 . 1 . 1 65 65 ILE CB C 13 42.5 . . . . . . . . 65 ILE CB . 52070 1 297 . 1 . 1 65 65 ILE CG1 C 13 28.8 . . . . . . . . 65 ILE CG1 . 52070 1 298 . 1 . 1 65 65 ILE CG2 C 13 16.7 . . . . . . . . 65 ILE CG2 . 52070 1 299 . 1 . 1 65 65 ILE CD1 C 13 15.5 . . . . . . . . 65 ILE CD1 . 52070 1 300 . 1 . 1 65 65 ILE N N 15 120.0 . . . . . . . . 65 ILE N . 52070 1 301 . 1 . 1 66 66 THR C C 13 173.6 . . . . . . . . 66 THR C . 52070 1 302 . 1 . 1 66 66 THR CA C 13 62.2 . . . . . . . . 66 THR CA . 52070 1 303 . 1 . 1 66 66 THR CB C 13 70.0 . . . . . . . . 66 THR CB . 52070 1 304 . 1 . 1 66 66 THR CG2 C 13 24.6 . . . . . . . . 66 THR CG2 . 52070 1 305 . 1 . 1 66 66 THR N N 15 128.4 . . . . . . . . 66 THR N . 52070 1 306 . 1 . 1 67 67 HIS C C 13 171.0 . . . . . . . . 67 HIS C . 52070 1 307 . 1 . 1 67 67 HIS CA C 13 56.8 . . . . . . . . 67 HIS CA . 52070 1 308 . 1 . 1 67 67 HIS CB C 13 33.5 . . . . . . . . 67 HIS CB . 52070 1 309 . 1 . 1 67 67 HIS CD2 C 13 116.5 . . . . . . . . 67 HIS CD2 . 52070 1 310 . 1 . 1 67 67 HIS CE1 C 13 135.8 . . . . . . . . 67 HIS CE1 . 52070 1 311 . 1 . 1 67 67 HIS N N 15 130.4 . . . . . . . . 67 HIS N . 52070 1 312 . 1 . 1 68 68 VAL C C 13 170.9 . . . . . . . . 68 VAL C . 52070 1 313 . 1 . 1 68 68 VAL CA C 13 61.3 . . . . . . . . 68 VAL CA . 52070 1 314 . 1 . 1 68 68 VAL CB C 13 32.3 . . . . . . . . 68 VAL CB . 52070 1 315 . 1 . 1 68 68 VAL CG1 C 13 22.5 . . . . . . . . 68 VAL CG1 . 52070 1 316 . 1 . 1 68 68 VAL CG2 C 13 20.8 . . . . . . . . 68 VAL CG2 . 52070 1 317 . 1 . 1 68 68 VAL N N 15 128.6 . . . . . . . . 68 VAL N . 52070 1 318 . 1 . 1 69 69 PRO C C 13 178.0 . . . . . . . . 69 PRO C . 52070 1 319 . 1 . 1 69 69 PRO CA C 13 63.2 . . . . . . . . 69 PRO CA . 52070 1 320 . 1 . 1 69 69 PRO CB C 13 31.7 . . . . . . . . 69 PRO CB . 52070 1 321 . 1 . 1 69 69 PRO CG C 13 29.2 . . . . . . . . 69 PRO CG . 52070 1 322 . 1 . 1 69 69 PRO CD C 13 49.2 . . . . . . . . 69 PRO CD . 52070 1 323 . 1 . 1 69 69 PRO N N 15 131.7 . . . . . . . . 69 PRO N . 52070 1 324 . 1 . 1 70 70 GLY C C 13 175.3 . . . . . . . . 70 GLY C . 52070 1 325 . 1 . 1 70 70 GLY CA C 13 44.8 . . . . . . . . 70 GLY CA . 52070 1 326 . 1 . 1 70 70 GLY N N 15 109.1 . . . . . . . . 70 GLY N . 52070 1 327 . 1 . 1 71 71 GLY C C 13 173.9 . . . . . . . . 71 GLY C . 52070 1 328 . 1 . 1 71 71 GLY CA C 13 45.1 . . . . . . . . 71 GLY CA . 52070 1 329 . 1 . 1 71 71 GLY N N 15 111.4 . . . . . . . . 71 GLY N . 52070 1 330 . 1 . 1 72 72 GLY C C 13 172.9 . . . . . . . . 72 GLY C . 52070 1 331 . 1 . 1 72 72 GLY CA C 13 44.5 . . . . . . . . 72 GLY CA . 52070 1 332 . 1 . 1 72 72 GLY N N 15 111.2 . . . . . . . . 72 GLY N . 52070 1 333 . 1 . 1 73 73 ASN C C 13 174.4 . . . . . . . . 73 ASN C . 52070 1 334 . 1 . 1 73 73 ASN CA C 13 53.6 . . . . . . . . 73 ASN CA . 52070 1 335 . 1 . 1 73 73 ASN CB C 13 39.5 . . . . . . . . 73 ASN CB . 52070 1 336 . 1 . 1 73 73 ASN CG C 13 175.9 . . . . . . . . 73 ASN CG . 52070 1 337 . 1 . 1 73 73 ASN N N 15 119.5 . . . . . . . . 73 ASN N . 52070 1 338 . 1 . 1 73 73 ASN ND2 N 15 117.1 . . . . . . . . 73 ASN ND2 . 52070 1 339 . 1 . 1 76 76 ILE C C 13 172.8 . . . . . . . . 76 ILE C . 52070 1 340 . 1 . 1 76 76 ILE CA C 13 60.1 . . . . . . . . 76 ILE CA . 52070 1 341 . 1 . 1 76 76 ILE CB C 13 40.8 . . . . . . . . 76 ILE CB . 52070 1 342 . 1 . 1 76 76 ILE CG1 C 13 27.1 . . . . . . . . 76 ILE CG1 . 52070 1 343 . 1 . 1 76 76 ILE CG2 C 13 17.8 . . . . . . . . 76 ILE CG2 . 52070 1 344 . 1 . 1 76 76 ILE CD1 C 13 15.0 . . . . . . . . 76 ILE CD1 . 52070 1 345 . 1 . 1 76 76 ILE N N 15 127.6 . . . . . . . . 76 ILE N . 52070 1 346 . 1 . 1 78 78 THR C C 13 172.9 . . . . . . . . 78 THR C . 52070 1 347 . 1 . 1 78 78 THR CA C 13 62.4 . . . . . . . . 78 THR CA . 52070 1 348 . 1 . 1 78 78 THR CB C 13 70.2 . . . . . . . . 78 THR CB . 52070 1 349 . 1 . 1 78 78 THR CG2 C 13 22.8 . . . . . . . . 78 THR CG2 . 52070 1 350 . 1 . 1 78 78 THR N N 15 123.6 . . . . . . . . 78 THR N . 52070 1 351 . 1 . 1 83 83 PHE CD1 C 13 131.9 . . . . . . . . 83 PHE CD1 . 52070 1 352 . 1 . 1 83 83 PHE CD2 C 13 131.9 . . . . . . . . 83 PHE CD2 . 52070 1 353 . 1 . 1 85 85 GLU CG C 13 35.6 . . . . . . . . 85 GLU CG . 52070 1 354 . 1 . 1 85 85 GLU CD C 13 182.8 . . . . . . . . 85 GLU CD . 52070 1 355 . 1 . 1 86 86 ASN C C 13 176.6 . . . . . . . . 86 ASN C . 52070 1 356 . 1 . 1 86 86 ASN CA C 13 53.8 . . . . . . . . 86 ASN CA . 52070 1 357 . 1 . 1 86 86 ASN CB C 13 38.6 . . . . . . . . 86 ASN CB . 52070 1 358 . 1 . 1 86 86 ASN CG C 13 177.3 . . . . . . . . 86 ASN CG . 52070 1 359 . 1 . 1 87 87 ALA CA C 13 52.0 . . . . . . . . 87 ALA CA . 52070 1 360 . 1 . 1 87 87 ALA CB C 13 19.8 . . . . . . . . 87 ALA CB . 52070 1 361 . 1 . 1 89 89 ALA CA C 13 52.5 . . . . . . . . 89 ALA CA . 52070 1 362 . 1 . 1 89 89 ALA CB C 13 19.5 . . . . . . . . 89 ALA CB . 52070 1 363 . 1 . 1 92 92 ASP C C 13 174.1 . . . . . . . . 92 ASP C . 52070 1 364 . 1 . 1 92 92 ASP CA C 13 53.0 . . . . . . . . 92 ASP CA . 52070 1 365 . 1 . 1 92 92 ASP CB C 13 43.4 . . . . . . . . 92 ASP CB . 52070 1 366 . 1 . 1 92 92 ASP CG C 13 180.6 . . . . . . . . 92 ASP CG . 52070 1 367 . 1 . 1 92 92 ASP N N 15 129.9 . . . . . . . . 92 ASP N . 52070 1 368 . 1 . 1 93 93 HIS C C 13 173.2 . . . . . . . . 93 HIS C . 52070 1 369 . 1 . 1 93 93 HIS CA C 13 57.3 . . . . . . . . 93 HIS CA . 52070 1 370 . 1 . 1 93 93 HIS CB C 13 32.5 . . . . . . . . 93 HIS CB . 52070 1 371 . 1 . 1 93 93 HIS N N 15 110.4 . . . . . . . . 93 HIS N . 52070 1 372 . 1 . 1 94 94 GLY C C 13 173.2 . . . . . . . . 94 GLY C . 52070 1 373 . 1 . 1 94 94 GLY CA C 13 46.9 . . . . . . . . 94 GLY CA . 52070 1 374 . 1 . 1 94 94 GLY N N 15 107.7 . . . . . . . . 94 GLY N . 52070 1 375 . 1 . 1 95 95 ALA C C 13 175.6 . . . . . . . . 95 ALA C . 52070 1 376 . 1 . 1 95 95 ALA CA C 13 52.4 . . . . . . . . 95 ALA CA . 52070 1 377 . 1 . 1 95 95 ALA CB C 13 19.6 . . . . . . . . 95 ALA CB . 52070 1 378 . 1 . 1 95 95 ALA N N 15 125.5 . . . . . . . . 95 ALA N . 52070 1 379 . 1 . 1 96 96 GLU CA C 13 55.9 . . . . . . . . 96 GLU CA . 52070 1 380 . 1 . 1 96 96 GLU CB C 13 30.5 . . . . . . . . 96 GLU CB . 52070 1 381 . 1 . 1 96 96 GLU CG C 13 36.5 . . . . . . . . 96 GLU CG . 52070 1 382 . 1 . 1 96 96 GLU CD C 13 184.0 . . . . . . . . 96 GLU CD . 52070 1 stop_ save_