data_26335 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 26335 _Entry.Title ; 1H, 13C, and 15N chemical shift assignments of a minimal trimeric Rec114-Mei4 complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-09-16 _Entry.Accession_date 2022-09-20 _Entry.Last_release_date 2022-09-20 _Entry.Original_release_date 2022-09-20 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.0.16 _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 Oleksandr Volkov . . . 0000-0002-0103-059X 26335 2 Dima Daccache . . . 0000-0001-8276-6533 26335 3 Corentin 'Claeys Bouuaert' . . . 0000-0001-5801-7313 26335 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 3 26335 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 444 26335 '15N chemical shifts' 122 26335 '1H chemical shifts' 621 26335 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 . . 2023-08-04 . original BMRB . 26335 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 26335 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37442581 _Citation.DOI 10.1101/gad.350462.123 _Citation.Full_citation . _Citation.Title ; Evolutionary conservation of the structure and function of meiotic Rec114-Mei4 and Mer2 complexes. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Genes. Dev.' _Citation.Journal_name_full 'Genes & development' _Citation.Journal_volume 37 _Citation.Journal_issue 11-12 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0890-9369 _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 535 _Citation.Page_last 553 _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 Dima Daccache . . . . 26335 1 2 Oleksandr Volkov . . . . 26335 1 3 Corentin 'Claeys Bouuaert' . . . . 26335 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 26335 _Assembly.ID 1 _Assembly.Name 'Rec114-Mei4 complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 Rec114_A 1 $entity_1 . . yes native no no . . . 26335 1 2 Rec114_B 1 $entity_1 . . yes native no no . . . 26335 1 3 Mei4 2 $entity_2 . . yes native no no . . . 26335 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 26335 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Rec114 _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 ; MEASPSEGLTIRVKNVNRNA SRKISKRLIKEKLKDEEFIK WVNKVETVLNKMFEK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _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 55 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 374 MET . 26335 1 2 375 GLU . 26335 1 3 376 ALA . 26335 1 4 377 SER . 26335 1 5 378 PRO . 26335 1 6 379 SER . 26335 1 7 380 GLU . 26335 1 8 381 GLY . 26335 1 9 382 LEU . 26335 1 10 383 THR . 26335 1 11 384 ILE . 26335 1 12 385 ARG . 26335 1 13 386 VAL . 26335 1 14 387 LYS . 26335 1 15 388 ASN . 26335 1 16 389 VAL . 26335 1 17 390 ASN . 26335 1 18 391 ARG . 26335 1 19 392 ASN . 26335 1 20 393 ALA . 26335 1 21 394 SER . 26335 1 22 395 ARG . 26335 1 23 396 LYS . 26335 1 24 397 ILE . 26335 1 25 398 SER . 26335 1 26 399 LYS . 26335 1 27 400 ARG . 26335 1 28 401 LEU . 26335 1 29 402 ILE . 26335 1 30 403 LYS . 26335 1 31 404 GLU . 26335 1 32 405 LYS . 26335 1 33 406 LEU . 26335 1 34 407 LYS . 26335 1 35 408 ASP . 26335 1 36 409 GLU . 26335 1 37 410 GLU . 26335 1 38 411 PHE . 26335 1 39 412 ILE . 26335 1 40 413 LYS . 26335 1 41 414 TRP . 26335 1 42 415 VAL . 26335 1 43 416 ASN . 26335 1 44 417 LYS . 26335 1 45 418 VAL . 26335 1 46 419 GLU . 26335 1 47 420 THR . 26335 1 48 421 VAL . 26335 1 49 422 LEU . 26335 1 50 423 ASN . 26335 1 51 424 LYS . 26335 1 52 425 MET . 26335 1 53 426 PHE . 26335 1 54 427 GLU . 26335 1 55 428 LYS . 26335 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 26335 1 . GLU 2 2 26335 1 . ALA 3 3 26335 1 . SER 4 4 26335 1 . PRO 5 5 26335 1 . SER 6 6 26335 1 . GLU 7 7 26335 1 . GLY 8 8 26335 1 . LEU 9 9 26335 1 . THR 10 10 26335 1 . ILE 11 11 26335 1 . ARG 12 12 26335 1 . VAL 13 13 26335 1 . LYS 14 14 26335 1 . ASN 15 15 26335 1 . VAL 16 16 26335 1 . ASN 17 17 26335 1 . ARG 18 18 26335 1 . ASN 19 19 26335 1 . ALA 20 20 26335 1 . SER 21 21 26335 1 . ARG 22 22 26335 1 . LYS 23 23 26335 1 . ILE 24 24 26335 1 . SER 25 25 26335 1 . LYS 26 26 26335 1 . ARG 27 27 26335 1 . LEU 28 28 26335 1 . ILE 29 29 26335 1 . LYS 30 30 26335 1 . GLU 31 31 26335 1 . LYS 32 32 26335 1 . LEU 33 33 26335 1 . LYS 34 34 26335 1 . ASP 35 35 26335 1 . GLU 36 36 26335 1 . GLU 37 37 26335 1 . PHE 38 38 26335 1 . ILE 39 39 26335 1 . LYS 40 40 26335 1 . TRP 41 41 26335 1 . VAL 42 42 26335 1 . ASN 43 43 26335 1 . LYS 44 44 26335 1 . VAL 45 45 26335 1 . GLU 46 46 26335 1 . THR 47 47 26335 1 . VAL 48 48 26335 1 . LEU 49 49 26335 1 . ASN 50 50 26335 1 . LYS 51 51 26335 1 . MET 52 52 26335 1 . PHE 53 53 26335 1 . GLU 54 54 26335 1 . LYS 55 55 26335 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 26335 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name Mei4 _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 ; MSRGKLEDMEQKETSEVDWI ICFALIQSRNPTLWKRALSR KKG ; _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 43 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 26335 2 2 2 SER . 26335 2 3 3 ARG . 26335 2 4 4 GLY . 26335 2 5 5 LYS . 26335 2 6 6 LEU . 26335 2 7 7 GLU . 26335 2 8 8 ASP . 26335 2 9 9 MET . 26335 2 10 10 GLU . 26335 2 11 11 GLN . 26335 2 12 12 LYS . 26335 2 13 13 GLU . 26335 2 14 14 THR . 26335 2 15 15 SER . 26335 2 16 16 GLU . 26335 2 17 17 VAL . 26335 2 18 18 ASP . 26335 2 19 19 TRP . 26335 2 20 20 ILE . 26335 2 21 21 ILE . 26335 2 22 22 CYS . 26335 2 23 23 PHE . 26335 2 24 24 ALA . 26335 2 25 25 LEU . 26335 2 26 26 ILE . 26335 2 27 27 GLN . 26335 2 28 28 SER . 26335 2 29 29 ARG . 26335 2 30 30 ASN . 26335 2 31 31 PRO . 26335 2 32 32 THR . 26335 2 33 33 LEU . 26335 2 34 34 TRP . 26335 2 35 35 LYS . 26335 2 36 36 ARG . 26335 2 37 37 ALA . 26335 2 38 38 LEU . 26335 2 39 39 SER . 26335 2 40 40 ARG . 26335 2 41 41 LYS . 26335 2 42 42 LYS . 26335 2 43 43 GLY . 26335 2 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 26335 2 . SER 2 2 26335 2 . ARG 3 3 26335 2 . GLY 4 4 26335 2 . LYS 5 5 26335 2 . LEU 6 6 26335 2 . GLU 7 7 26335 2 . ASP 8 8 26335 2 . MET 9 9 26335 2 . GLU 10 10 26335 2 . GLN 11 11 26335 2 . LYS 12 12 26335 2 . GLU 13 13 26335 2 . THR 14 14 26335 2 . SER 15 15 26335 2 . GLU 16 16 26335 2 . VAL 17 17 26335 2 . ASP 18 18 26335 2 . TRP 19 19 26335 2 . ILE 20 20 26335 2 . ILE 21 21 26335 2 . CYS 22 22 26335 2 . PHE 23 23 26335 2 . ALA 24 24 26335 2 . LEU 25 25 26335 2 . ILE 26 26 26335 2 . GLN 27 27 26335 2 . SER 28 28 26335 2 . ARG 29 29 26335 2 . ASN 30 30 26335 2 . PRO 31 31 26335 2 . THR 32 32 26335 2 . LEU 33 33 26335 2 . TRP 34 34 26335 2 . LYS 35 35 26335 2 . ARG 36 36 26335 2 . ALA 37 37 26335 2 . LEU 38 38 26335 2 . SER 39 39 26335 2 . ARG 40 40 26335 2 . LYS 41 41 26335 2 . LYS 42 42 26335 2 . GLY 43 43 26335 2 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 26335 _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 . 580239 organism . 'Saccharomyces cerevisiae SK1' 'budding yeasts' . . Eukaryota Fungi Saccharomyces cerevisiae SK1 . . . . . . . . . . . . 26335 1 2 2 $entity_2 . 580239 organism . 'Saccharomyces cerevisiae SK1' 'budding yeasts' . . Eukaryota Fungi Saccharomyces cerevisiae SK1 . . . . . . . . . . . . 26335 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 26335 _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' . . 562 . . . . . plasmid . . pDD009 . . 'pDD009 is the vector used for co-expressing Rec114-Mei4' 26335 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . 562 . . . . . plasmid . . pDD009 . . . 26335 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26335 _Sample.ID 1 _Sample.Name 'sample 1' _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 Rec114_A '[U-100% 13C; U-100% 15N]' 1 $assembly_1 1 $entity_1 . protein 1.4 . . mM . . . . 26335 1 2 Rec114_B '[U-100% 13C; U-100% 15N]' 1 $assembly_1 1 $entity_1 . protein 1.4 . . mM . . . . 26335 1 3 Mei4 '[U-100% 13C; U-100% 15N]' 1 $assembly_1 2 $entity_2 . protein 1.4 . . mM . . . . 26335 1 4 'sodium phosphate' 'natural abundance' . . . . . buffer 20 . . mM . . . . 26335 1 5 'sodium chloride' 'natural abundance' . . . . . salt 30 . . mM . . . . 26335 1 6 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 26335 1 7 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 26335 1 8 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 26335 1 9 D2O '[U-100% 2H]' . . . . . solvent 10 . . % . . . . 26335 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 26335 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'condition 1' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 47 . mM 26335 1 pH 6.0 . pH 26335 1 pressure 1 . atm 26335 1 temperature 298 . K 26335 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 26335 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.6 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 26335 1 processing . 26335 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 26335 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 26335 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 26335 _Software.ID 3 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 26335 3 'data analysis' . 26335 3 'peak picking' . 26335 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 26335 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'spectrometer 1' _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 26335 _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 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26335 1 2 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26335 1 3 '3D HN(CO)CACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26335 1 4 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26335 1 5 '3D HN(CA)CO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26335 1 6 '3D HBHA(CO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26335 1 7 '3D H(C)CH TOCSY' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26335 1 8 '3D (H)CCH TOCSY' no . no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26335 1 9 '2D 1H-13C HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26335 1 10 '2D 1H-13C HSQC aromatic' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26335 1 11 '3D 1H-15N NOESY' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26335 1 12 '3D 1H-13C NOESY aliphatic' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26335 1 13 '3D 1H-13C NOESY aromatic' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26335 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 26335 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name '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 . . . . . 26335 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26335 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26335 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 26335 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name RecA _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 1H-15N HSQC' 1 $sample_1 isotropic 26335 1 2 '3D HNCACB' 1 $sample_1 isotropic 26335 1 3 '3D HN(CO)CACB' 1 $sample_1 isotropic 26335 1 4 '3D HNCO' 1 $sample_1 isotropic 26335 1 5 '3D HN(CA)CO' 1 $sample_1 isotropic 26335 1 6 '3D HBHA(CO)NH' 1 $sample_1 isotropic 26335 1 7 '3D H(C)CH TOCSY' 1 $sample_1 isotropic 26335 1 8 '3D (H)CCH TOCSY' 1 $sample_1 isotropic 26335 1 9 '2D 1H-13C HSQC' 1 $sample_1 isotropic 26335 1 10 '2D 1H-13C HSQC aromatic' 1 $sample_1 isotropic 26335 1 11 '3D 1H-15N NOESY' 1 $sample_1 isotropic 26335 1 12 '3D 1H-13C NOESY aliphatic' 1 $sample_1 isotropic 26335 1 13 '3D 1H-13C NOESY aromatic' 1 $sample_1 isotropic 26335 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 1 $software_1 . . 26335 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 GLU C C 13 172.88 0.4 . 1 . . . . . 375 GLU C . 26335 1 2 . 1 . 1 2 2 GLU CA C 13 56.24 0.4 . 1 . . . . . 375 GLU CA . 26335 1 3 . 1 . 1 2 2 GLU CB C 13 30.44 0.4 . 1 . . . . . 375 GLU CB . 26335 1 4 . 1 . 1 3 3 ALA H H 1 8.445 0.04 . 1 . . . . . 376 ALA H . 26335 1 5 . 1 . 1 3 3 ALA HA H 1 4.249 0.04 . 1 . . . . . 376 ALA HA . 26335 1 6 . 1 . 1 3 3 ALA HB1 H 1 1.295 0.04 . 1 . . . . . 376 ALA HB* . 26335 1 7 . 1 . 1 3 3 ALA HB2 H 1 1.295 0.04 . 1 . . . . . 376 ALA HB* . 26335 1 8 . 1 . 1 3 3 ALA HB3 H 1 1.295 0.04 . 1 . . . . . 376 ALA HB* . 26335 1 9 . 1 . 1 3 3 ALA C C 13 174.71 0.4 . 1 . . . . . 376 ALA C . 26335 1 10 . 1 . 1 3 3 ALA CA C 13 52.26 0.4 . 1 . . . . . 376 ALA CA . 26335 1 11 . 1 . 1 3 3 ALA CB C 13 19.36 0.4 . 1 . . . . . 376 ALA CB . 26335 1 12 . 1 . 1 3 3 ALA N N 15 125.80 0.2 . 1 . . . . . 376 ALA N . 26335 1 13 . 1 . 1 4 4 SER H H 1 8.336 0.04 . 1 . . . . . 377 SER H . 26335 1 14 . 1 . 1 4 4 SER C C 13 170.40 0.4 . 1 . . . . . 377 SER C . 26335 1 15 . 1 . 1 4 4 SER CA C 13 56.26 0.4 . 1 . . . . . 377 SER CA . 26335 1 16 . 1 . 1 4 4 SER CB C 13 63.29 0.4 . 1 . . . . . 377 SER CB . 26335 1 17 . 1 . 1 4 4 SER N N 15 116.79 0.2 . 1 . . . . . 377 SER N . 26335 1 18 . 1 . 1 5 5 PRO HA H 1 4.384 0.04 . 1 . . . . . 378 PRO HA . 26335 1 19 . 1 . 1 5 5 PRO HB2 H 1 1.883 0.04 . 2 . . . . . 378 PRO HB2 . 26335 1 20 . 1 . 1 5 5 PRO HB3 H 1 2.243 0.04 . 2 . . . . . 378 PRO HB3 . 26335 1 21 . 1 . 1 5 5 PRO C C 13 174.52 0.4 . 1 . . . . . 378 PRO C . 26335 1 22 . 1 . 1 5 5 PRO CA C 13 63.56 0.4 . 1 . . . . . 378 PRO CA . 26335 1 23 . 1 . 1 5 5 PRO CB C 13 32.04 0.4 . 1 . . . . . 378 PRO CB . 26335 1 24 . 1 . 1 6 6 SER H H 1 8.283 0.04 . 1 . . . . . 379 SER H . 26335 1 25 . 1 . 1 6 6 SER HA H 1 4.325 0.04 . 1 . . . . . 379 SER HA . 26335 1 26 . 1 . 1 6 6 SER HB2 H 1 3.790 0.04 . 1 . . . . . 379 SER HB2 . 26335 1 27 . 1 . 1 6 6 SER HB3 H 1 3.790 0.04 . 1 . . . . . 379 SER HB3 . 26335 1 28 . 1 . 1 6 6 SER C C 13 172.15 0.4 . 1 . . . . . 379 SER C . 26335 1 29 . 1 . 1 6 6 SER CA C 13 58.64 0.4 . 1 . . . . . 379 SER CA . 26335 1 30 . 1 . 1 6 6 SER CB C 13 63.65 0.4 . 1 . . . . . 379 SER CB . 26335 1 31 . 1 . 1 6 6 SER N N 15 115.53 0.2 . 1 . . . . . 379 SER N . 26335 1 32 . 1 . 1 7 7 GLU H H 1 8.269 0.04 . 1 . . . . . 380 GLU H . 26335 1 33 . 1 . 1 7 7 GLU HA H 1 4.208 0.04 . 1 . . . . . 380 GLU HA . 26335 1 34 . 1 . 1 7 7 GLU HB2 H 1 1.899 0.04 . 2 . . . . . 380 GLU HB2 . 26335 1 35 . 1 . 1 7 7 GLU HB3 H 1 2.000 0.04 . 2 . . . . . 380 GLU HB3 . 26335 1 36 . 1 . 1 7 7 GLU C C 13 174.24 0.4 . 1 . . . . . 380 GLU C . 26335 1 37 . 1 . 1 7 7 GLU CA C 13 56.96 0.4 . 1 . . . . . 380 GLU CA . 26335 1 38 . 1 . 1 7 7 GLU CB C 13 30.18 0.4 . 1 . . . . . 380 GLU CB . 26335 1 39 . 1 . 1 7 7 GLU N N 15 122.68 0.2 . 1 . . . . . 380 GLU N . 26335 1 40 . 1 . 1 8 8 GLY H H 1 8.283 0.04 . 1 . . . . . 381 GLY H . 26335 1 41 . 1 . 1 8 8 GLY HA2 H 1 3.867 0.04 . 1 . . . . . 381 GLY HA2 . 26335 1 42 . 1 . 1 8 8 GLY HA3 H 1 3.867 0.04 . 1 . . . . . 381 GLY HA3 . 26335 1 43 . 1 . 1 8 8 GLY C C 13 171.37 0.4 . 1 . . . . . 381 GLY C . 26335 1 44 . 1 . 1 8 8 GLY CA C 13 45.36 0.4 . 1 . . . . . 381 GLY CA . 26335 1 45 . 1 . 1 8 8 GLY N N 15 109.14 0.2 . 1 . . . . . 381 GLY N . 26335 1 46 . 1 . 1 9 9 LEU H H 1 7.985 0.04 . 1 . . . . . 382 LEU H . 26335 1 47 . 1 . 1 9 9 LEU HA H 1 4.309 0.04 . 1 . . . . . 382 LEU HA . 26335 1 48 . 1 . 1 9 9 LEU HB2 H 1 1.521 0.04 . 2 . . . . . 382 LEU HB2 . 26335 1 49 . 1 . 1 9 9 LEU HB3 H 1 1.578 0.04 . 2 . . . . . 382 LEU HB3 . 26335 1 50 . 1 . 1 9 9 LEU HD11 H 1 0.786 0.04 . 2 . . . . . 382 LEU HD1* . 26335 1 51 . 1 . 1 9 9 LEU HD12 H 1 0.786 0.04 . 2 . . . . . 382 LEU HD1* . 26335 1 52 . 1 . 1 9 9 LEU HD13 H 1 0.786 0.04 . 2 . . . . . 382 LEU HD1* . 26335 1 53 . 1 . 1 9 9 LEU HD21 H 1 0.838 0.04 . 2 . . . . . 382 LEU HD2* . 26335 1 54 . 1 . 1 9 9 LEU HD22 H 1 0.838 0.04 . 2 . . . . . 382 LEU HD2* . 26335 1 55 . 1 . 1 9 9 LEU HD23 H 1 0.838 0.04 . 2 . . . . . 382 LEU HD2* . 26335 1 56 . 1 . 1 9 9 LEU HG H 1 1.521 0.04 . 1 . . . . . 382 LEU HG . 26335 1 57 . 1 . 1 9 9 LEU C C 13 174.83 0.4 . 1 . . . . . 382 LEU C . 26335 1 58 . 1 . 1 9 9 LEU CA C 13 55.36 0.4 . 1 . . . . . 382 LEU CA . 26335 1 59 . 1 . 1 9 9 LEU CB C 13 42.49 0.4 . 1 . . . . . 382 LEU CB . 26335 1 60 . 1 . 1 9 9 LEU CD1 C 13 23.58 0.4 . 2 . . . . . 382 LEU CD1 . 26335 1 61 . 1 . 1 9 9 LEU CD2 C 13 24.88 0.4 . 2 . . . . . 382 LEU CD2 . 26335 1 62 . 1 . 1 9 9 LEU CG C 13 26.87 0.4 . 1 . . . . . 382 LEU CG . 26335 1 63 . 1 . 1 9 9 LEU N N 15 121.30 0.2 . 1 . . . . . 382 LEU N . 26335 1 64 . 1 . 1 10 10 THR H H 1 8.067 0.04 . 1 . . . . . 383 THR H . 26335 1 65 . 1 . 1 10 10 THR HA H 1 4.229 0.04 . 1 . . . . . 383 THR HA . 26335 1 66 . 1 . 1 10 10 THR HB H 1 4.079 0.04 . 1 . . . . . 383 THR HB . 26335 1 67 . 1 . 1 10 10 THR C C 13 171.68 0.4 . 1 . . . . . 383 THR C . 26335 1 68 . 1 . 1 10 10 THR CA C 13 62.15 0.4 . 1 . . . . . 383 THR CA . 26335 1 69 . 1 . 1 10 10 THR CB C 13 69.72 0.4 . 1 . . . . . 383 THR CB . 26335 1 70 . 1 . 1 10 10 THR N N 15 115.35 0.2 . 1 . . . . . 383 THR N . 26335 1 71 . 1 . 1 11 11 ILE H H 1 8.033 0.04 . 1 . . . . . 384 ILE H . 26335 1 72 . 1 . 1 11 11 ILE HA H 1 4.049 0.04 . 1 . . . . . 384 ILE HA . 26335 1 73 . 1 . 1 11 11 ILE HB H 1 1.746 0.04 . 1 . . . . . 384 ILE HB . 26335 1 74 . 1 . 1 11 11 ILE HD11 H 1 0.749 0.04 . 1 . . . . . 384 ILE HD1* . 26335 1 75 . 1 . 1 11 11 ILE HD12 H 1 0.749 0.04 . 1 . . . . . 384 ILE HD1* . 26335 1 76 . 1 . 1 11 11 ILE HD13 H 1 0.749 0.04 . 1 . . . . . 384 ILE HD1* . 26335 1 77 . 1 . 1 11 11 ILE HG12 H 1 1.076 0.04 . 2 . . . . . 384 ILE HG12 . 26335 1 78 . 1 . 1 11 11 ILE HG13 H 1 1.360 0.04 . 2 . . . . . 384 ILE HG13 . 26335 1 79 . 1 . 1 11 11 ILE HG21 H 1 0.783 0.04 . 1 . . . . . 384 ILE HG2* . 26335 1 80 . 1 . 1 11 11 ILE HG22 H 1 0.783 0.04 . 1 . . . . . 384 ILE HG2* . 26335 1 81 . 1 . 1 11 11 ILE HG23 H 1 0.783 0.04 . 1 . . . . . 384 ILE HG2* . 26335 1 82 . 1 . 1 11 11 ILE C C 13 173.21 0.4 . 1 . . . . . 384 ILE C . 26335 1 83 . 1 . 1 11 11 ILE CA C 13 61.04 0.4 . 1 . . . . . 384 ILE CA . 26335 1 84 . 1 . 1 11 11 ILE CB C 13 38.55 0.4 . 1 . . . . . 384 ILE CB . 26335 1 85 . 1 . 1 11 11 ILE CD1 C 13 12.77 0.4 . 1 . . . . . 384 ILE CD1 . 26335 1 86 . 1 . 1 11 11 ILE CG1 C 13 27.24 0.4 . 1 . . . . . 384 ILE CG1 . 26335 1 87 . 1 . 1 11 11 ILE CG2 C 13 17.45 0.4 . 1 . . . . . 384 ILE CG2 . 26335 1 88 . 1 . 1 11 11 ILE N N 15 123.42 0.2 . 1 . . . . . 384 ILE N . 26335 1 89 . 1 . 1 12 12 ARG H H 1 8.269 0.04 . 1 . . . . . 385 ARG H . 26335 1 90 . 1 . 1 12 12 ARG HA H 1 4.301 0.04 . 1 . . . . . 385 ARG HA . 26335 1 91 . 1 . 1 12 12 ARG HB2 H 1 1.665 0.04 . 2 . . . . . 385 ARG HB2 . 26335 1 92 . 1 . 1 12 12 ARG HB3 H 1 1.735 0.04 . 2 . . . . . 385 ARG HB3 . 26335 1 93 . 1 . 1 12 12 ARG C C 13 173.41 0.4 . 1 . . . . . 385 ARG C . 26335 1 94 . 1 . 1 12 12 ARG CA C 13 55.97 0.4 . 1 . . . . . 385 ARG CA . 26335 1 95 . 1 . 1 12 12 ARG CB C 13 30.81 0.4 . 1 . . . . . 385 ARG CB . 26335 1 96 . 1 . 1 12 12 ARG N N 15 125.30 0.2 . 1 . . . . . 385 ARG N . 26335 1 97 . 1 . 1 13 13 VAL H H 1 8.062 0.04 . 1 . . . . . 386 VAL H . 26335 1 98 . 1 . 1 13 13 VAL HA H 1 3.991 0.04 . 1 . . . . . 386 VAL HA . 26335 1 99 . 1 . 1 13 13 VAL HB H 1 1.937 0.04 . 1 . . . . . 386 VAL HB . 26335 1 100 . 1 . 1 13 13 VAL HG11 H 1 0.826 0.04 . 2 . . . . . 386 VAL HG1* . 26335 1 101 . 1 . 1 13 13 VAL HG12 H 1 0.826 0.04 . 2 . . . . . 386 VAL HG1* . 26335 1 102 . 1 . 1 13 13 VAL HG13 H 1 0.826 0.04 . 2 . . . . . 386 VAL HG1* . 26335 1 103 . 1 . 1 13 13 VAL HG21 H 1 0.826 0.04 . 2 . . . . . 386 VAL HG2* . 26335 1 104 . 1 . 1 13 13 VAL HG22 H 1 0.826 0.04 . 2 . . . . . 386 VAL HG2* . 26335 1 105 . 1 . 1 13 13 VAL HG23 H 1 0.826 0.04 . 2 . . . . . 386 VAL HG2* . 26335 1 106 . 1 . 1 13 13 VAL C C 13 173.25 0.4 . 1 . . . . . 386 VAL C . 26335 1 107 . 1 . 1 13 13 VAL CA C 13 62.26 0.4 . 1 . . . . . 386 VAL CA . 26335 1 108 . 1 . 1 13 13 VAL CB C 13 32.75 0.4 . 1 . . . . . 386 VAL CB . 26335 1 109 . 1 . 1 13 13 VAL CG1 C 13 20.41 0.4 . 2 . . . . . 386 VAL CG1 . 26335 1 110 . 1 . 1 13 13 VAL CG2 C 13 20.96 0.4 . 2 . . . . . 386 VAL CG2 . 26335 1 111 . 1 . 1 13 13 VAL N N 15 121.59 0.2 . 1 . . . . . 386 VAL N . 26335 1 112 . 1 . 1 14 14 LYS H H 1 8.308 0.04 . 1 . . . . . 387 LYS H . 26335 1 113 . 1 . 1 14 14 LYS HA H 1 4.200 0.04 . 1 . . . . . 387 LYS HA . 26335 1 114 . 1 . 1 14 14 LYS HB2 H 1 1.682 0.04 . 1 . . . . . 387 LYS HB2 . 26335 1 115 . 1 . 1 14 14 LYS HB3 H 1 1.682 0.04 . 1 . . . . . 387 LYS HB3 . 26335 1 116 . 1 . 1 14 14 LYS C C 13 173.42 0.4 . 1 . . . . . 387 LYS C . 26335 1 117 . 1 . 1 14 14 LYS CA C 13 56.41 0.4 . 1 . . . . . 387 LYS CA . 26335 1 118 . 1 . 1 14 14 LYS CB C 13 33.14 0.4 . 1 . . . . . 387 LYS CB . 26335 1 119 . 1 . 1 14 14 LYS N N 15 124.86 0.2 . 1 . . . . . 387 LYS N . 26335 1 120 . 1 . 1 15 15 ASN H H 1 8.404 0.04 . 1 . . . . . 388 ASN H . 26335 1 121 . 1 . 1 15 15 ASN HA H 1 4.612 0.04 . 1 . . . . . 388 ASN HA . 26335 1 122 . 1 . 1 15 15 ASN HB2 H 1 2.688 0.04 . 1 . . . . . 388 ASN HB2 . 26335 1 123 . 1 . 1 15 15 ASN HB3 H 1 2.688 0.04 . 1 . . . . . 388 ASN HB3 . 26335 1 124 . 1 . 1 15 15 ASN C C 13 172.48 0.4 . 1 . . . . . 388 ASN C . 26335 1 125 . 1 . 1 15 15 ASN CA C 13 53.28 0.4 . 1 . . . . . 388 ASN CA . 26335 1 126 . 1 . 1 15 15 ASN CB C 13 38.79 0.4 . 1 . . . . . 388 ASN CB . 26335 1 127 . 1 . 1 15 15 ASN N N 15 120.37 0.2 . 1 . . . . . 388 ASN N . 26335 1 128 . 1 . 1 16 16 VAL H H 1 8.051 0.04 . 1 . . . . . 389 VAL H . 26335 1 129 . 1 . 1 16 16 VAL HA H 1 4.020 0.04 . 1 . . . . . 389 VAL HA . 26335 1 130 . 1 . 1 16 16 VAL HB H 1 1.996 0.04 . 1 . . . . . 389 VAL HB . 26335 1 131 . 1 . 1 16 16 VAL HG11 H 1 0.827 0.04 . 2 . . . . . 389 VAL HG1* . 26335 1 132 . 1 . 1 16 16 VAL HG12 H 1 0.827 0.04 . 2 . . . . . 389 VAL HG1* . 26335 1 133 . 1 . 1 16 16 VAL HG13 H 1 0.827 0.04 . 2 . . . . . 389 VAL HG1* . 26335 1 134 . 1 . 1 16 16 VAL HG21 H 1 0.827 0.04 . 2 . . . . . 389 VAL HG2* . 26335 1 135 . 1 . 1 16 16 VAL HG22 H 1 0.827 0.04 . 2 . . . . . 389 VAL HG2* . 26335 1 136 . 1 . 1 16 16 VAL HG23 H 1 0.827 0.04 . 2 . . . . . 389 VAL HG2* . 26335 1 137 . 1 . 1 16 16 VAL C C 13 173.05 0.4 . 1 . . . . . 389 VAL C . 26335 1 138 . 1 . 1 16 16 VAL CA C 13 62.41 0.4 . 1 . . . . . 389 VAL CA . 26335 1 139 . 1 . 1 16 16 VAL CB C 13 32.64 0.4 . 1 . . . . . 389 VAL CB . 26335 1 140 . 1 . 1 16 16 VAL CG1 C 13 20.96 0.4 . 2 . . . . . 389 VAL CG1 . 26335 1 141 . 1 . 1 16 16 VAL CG2 C 13 20.41 0.4 . 2 . . . . . 389 VAL CG2 . 26335 1 142 . 1 . 1 16 16 VAL N N 15 120.19 0.2 . 1 . . . . . 389 VAL N . 26335 1 143 . 1 . 1 17 17 ASN H H 1 8.436 0.04 . 6 . . . . . 390 ASN H . 26335 1 144 . 1 . 1 17 17 ASN HA H 1 4.627 0.04 . 1 . . . . . 390 ASN HA . 26335 1 145 . 1 . 1 17 17 ASN HB2 H 1 2.702 0.04 . 2 . . . . . 390 ASN HB2 . 26335 1 146 . 1 . 1 17 17 ASN HB3 H 1 2.780 0.04 . 2 . . . . . 390 ASN HB3 . 26335 1 147 . 1 . 1 17 17 ASN C C 13 172.80 0.4 . 6 . . . . . 390 ASN C . 26335 1 148 . 1 . 1 17 17 ASN CA C 13 53.23 0.4 . 6 . . . . . 390 ASN CA . 26335 1 149 . 1 . 1 17 17 ASN CB C 13 38.69 0.4 . 6 . . . . . 390 ASN CB . 26335 1 150 . 1 . 1 17 17 ASN N N 15 122.13 0.2 . 6 . . . . . 390 ASN N . 26335 1 151 . 1 . 1 18 18 ARG H H 1 8.342 0.04 . 1 . . . . . 391 ARG H . 26335 1 152 . 1 . 1 18 18 ARG HA H 1 4.177 0.04 . 1 . . . . . 391 ARG HA . 26335 1 153 . 1 . 1 18 18 ARG HB2 H 1 1.648 0.04 . 2 . . . . . 391 ARG HB2 . 26335 1 154 . 1 . 1 18 18 ARG HB3 H 1 1.758 0.04 . 2 . . . . . 391 ARG HB3 . 26335 1 155 . 1 . 1 18 18 ARG C C 13 173.50 0.4 . 1 . . . . . 391 ARG C . 26335 1 156 . 1 . 1 18 18 ARG CA C 13 56.47 0.4 . 1 . . . . . 391 ARG CA . 26335 1 157 . 1 . 1 18 18 ARG CB C 13 30.41 0.4 . 1 . . . . . 391 ARG CB . 26335 1 158 . 1 . 1 18 18 ARG N N 15 122.23 0.2 . 1 . . . . . 391 ARG N . 26335 1 159 . 1 . 1 19 19 ASN H H 1 8.347 0.04 . 6 . . . . . 392 ASN H . 26335 1 160 . 1 . 1 19 19 ASN HA H 1 4.538 0.04 . 6 . . . . . 392 ASN HA . 26335 1 161 . 1 . 1 19 19 ASN HB2 H 1 2.655 0.04 . 6 . . . . . 392 ASN HB2 . 26335 1 162 . 1 . 1 19 19 ASN HB3 H 1 2.655 0.04 . 6 . . . . . 392 ASN HB3 . 26335 1 163 . 1 . 1 19 19 ASN C C 13 172.54 0.4 . 6 . . . . . 392 ASN C . 26335 1 164 . 1 . 1 19 19 ASN CA C 13 53.48 0.4 . 6 . . . . . 392 ASN CA . 26335 1 165 . 1 . 1 19 19 ASN CB C 13 38.70 0.4 . 6 . . . . . 392 ASN CB . 26335 1 166 . 1 . 1 19 19 ASN N N 15 119.13 0.2 . 6 . . . . . 392 ASN N . 26335 1 167 . 1 . 1 20 20 ALA H H 1 8.127 0.04 . 6 . . . . . 393 ALA H . 26335 1 168 . 1 . 1 20 20 ALA HA H 1 4.202 0.04 . 6 . . . . . 393 ALA HA . 26335 1 169 . 1 . 1 20 20 ALA HB1 H 1 1.281 0.04 . 6 . . . . . 393 ALA HB* . 26335 1 170 . 1 . 1 20 20 ALA HB2 H 1 1.281 0.04 . 6 . . . . . 393 ALA HB* . 26335 1 171 . 1 . 1 20 20 ALA HB3 H 1 1.281 0.04 . 6 . . . . . 393 ALA HB* . 26335 1 172 . 1 . 1 20 20 ALA C C 13 175.10 0.4 . 6 . . . . . 393 ALA C . 26335 1 173 . 1 . 1 20 20 ALA CA C 13 52.83 0.4 . 6 . . . . . 393 ALA CA . 26335 1 174 . 1 . 1 20 20 ALA CB C 13 19.17 0.4 . 6 . . . . . 393 ALA CB . 26335 1 175 . 1 . 1 20 20 ALA N N 15 124.24 0.2 . 6 . . . . . 393 ALA N . 26335 1 176 . 1 . 1 21 21 SER H H 1 8.127 0.04 . 6 . . . . . 394 SER H . 26335 1 177 . 1 . 1 21 21 SER HA H 1 4.297 0.04 . 6 . . . . . 394 SER HA . 26335 1 178 . 1 . 1 21 21 SER HB2 H 1 3.782 0.04 . 6 . . . . . 394 SER HB2 . 26335 1 179 . 1 . 1 21 21 SER HB3 H 1 3.782 0.04 . 6 . . . . . 394 SER HB3 . 26335 1 180 . 1 . 1 21 21 SER C C 13 171.94 0.4 . 6 . . . . . 394 SER C . 26335 1 181 . 1 . 1 21 21 SER CA C 13 58.60 0.4 . 6 . . . . . 394 SER CA . 26335 1 182 . 1 . 1 21 21 SER CB C 13 63.75 0.4 . 6 . . . . . 394 SER CB . 26335 1 183 . 1 . 1 21 21 SER N N 15 114.69 0.2 . 6 . . . . . 394 SER N . 26335 1 184 . 1 . 1 22 22 ARG H H 1 7.949 0.04 . 6 . . . . . 395 ARG H . 26335 1 185 . 1 . 1 22 22 ARG HA H 1 4.021 0.04 . 1 . . . . . 395 ARG HA . 26335 1 186 . 1 . 1 22 22 ARG HB2 H 1 1.001 0.04 . 1 . . . . . 395 ARG HB2 . 26335 1 187 . 1 . 1 22 22 ARG HB3 H 1 1.001 0.04 . 1 . . . . . 395 ARG HB3 . 26335 1 188 . 1 . 1 22 22 ARG C C 13 173.39 0.4 . 6 . . . . . 395 ARG C . 26335 1 189 . 1 . 1 22 22 ARG CA C 13 55.98 0.4 . 6 . . . . . 395 ARG CA . 26335 1 190 . 1 . 1 22 22 ARG CB C 13 29.62 0.4 . 6 . . . . . 395 ARG CB . 26335 1 191 . 1 . 1 22 22 ARG N N 15 122.48 0.2 . 6 . . . . . 395 ARG N . 26335 1 192 . 1 . 1 23 23 LYS H H 1 8.038 0.04 . 1 . . . . . 396 LYS H . 26335 1 193 . 1 . 1 23 23 LYS HA H 1 4.230 0.04 . 1 . . . . . 396 LYS HA . 26335 1 194 . 1 . 1 23 23 LYS HB2 H 1 1.777 0.04 . 1 . . . . . 396 LYS HB2 . 26335 1 195 . 1 . 1 23 23 LYS HB3 H 1 1.777 0.04 . 1 . . . . . 396 LYS HB3 . 26335 1 196 . 1 . 1 23 23 LYS C C 13 173.95 0.4 . 1 . . . . . 396 LYS C . 26335 1 197 . 1 . 1 23 23 LYS CA C 13 56.79 0.4 . 1 . . . . . 396 LYS CA . 26335 1 198 . 1 . 1 23 23 LYS CB C 13 33.46 0.4 . 1 . . . . . 396 LYS CB . 26335 1 199 . 1 . 1 23 23 LYS N N 15 122.89 0.2 . 1 . . . . . 396 LYS N . 26335 1 200 . 1 . 1 24 24 ILE H H 1 8.691 0.04 . 1 . . . . . 397 ILE H . 26335 1 201 . 1 . 1 24 24 ILE HA H 1 4.275 0.04 . 1 . . . . . 397 ILE HA . 26335 1 202 . 1 . 1 24 24 ILE HB H 1 1.855 0.04 . 1 . . . . . 397 ILE HB . 26335 1 203 . 1 . 1 24 24 ILE HD11 H 1 0.751 0.04 . 1 . . . . . 397 ILE HD1* . 26335 1 204 . 1 . 1 24 24 ILE HD12 H 1 0.751 0.04 . 1 . . . . . 397 ILE HD1* . 26335 1 205 . 1 . 1 24 24 ILE HD13 H 1 0.751 0.04 . 1 . . . . . 397 ILE HD1* . 26335 1 206 . 1 . 1 24 24 ILE HG12 H 1 1.053 0.04 . 1 . . . . . 397 ILE HG12 . 26335 1 207 . 1 . 1 24 24 ILE HG13 H 1 1.053 0.04 . 1 . . . . . 397 ILE HG13 . 26335 1 208 . 1 . 1 24 24 ILE HG21 H 1 0.906 0.04 . 1 . . . . . 397 ILE HG2* . 26335 1 209 . 1 . 1 24 24 ILE HG22 H 1 0.906 0.04 . 1 . . . . . 397 ILE HG2* . 26335 1 210 . 1 . 1 24 24 ILE HG23 H 1 0.906 0.04 . 1 . . . . . 397 ILE HG2* . 26335 1 211 . 1 . 1 24 24 ILE C C 13 172.05 0.4 . 1 . . . . . 397 ILE C . 26335 1 212 . 1 . 1 24 24 ILE CA C 13 61.62 0.4 . 1 . . . . . 397 ILE CA . 26335 1 213 . 1 . 1 24 24 ILE CB C 13 39.45 0.4 . 1 . . . . . 397 ILE CB . 26335 1 214 . 1 . 1 24 24 ILE CD1 C 13 14.53 0.4 . 1 . . . . . 397 ILE CD1 . 26335 1 215 . 1 . 1 24 24 ILE CG1 C 13 27.83 0.4 . 1 . . . . . 397 ILE CG1 . 26335 1 216 . 1 . 1 24 24 ILE CG2 C 13 18.80 0.4 . 1 . . . . . 397 ILE CG2 . 26335 1 217 . 1 . 1 24 24 ILE N N 15 123.23 0.2 . 1 . . . . . 397 ILE N . 26335 1 218 . 1 . 1 25 25 SER H H 1 7.495 0.04 . 1 . . . . . 398 SER H . 26335 1 219 . 1 . 1 25 25 SER CA C 13 55.95 0.4 . 1 . . . . . 398 SER CA . 26335 1 220 . 1 . 1 25 25 SER CB C 13 64.57 0.4 . 1 . . . . . 398 SER CB . 26335 1 221 . 1 . 1 25 25 SER N N 15 119.98 0.2 . 1 . . . . . 398 SER N . 26335 1 222 . 1 . 1 26 26 LYS HA H 1 3.865 0.04 . 1 . . . . . 399 LYS HA . 26335 1 223 . 1 . 1 26 26 LYS C C 13 175.63 0.4 . 1 . . . . . 399 LYS C . 26335 1 224 . 1 . 1 26 26 LYS CA C 13 60.52 0.4 . 1 . . . . . 399 LYS CA . 26335 1 225 . 1 . 1 26 26 LYS CB C 13 32.030 0.4 . 1 . . . . . 399 LYS CB . 26335 1 226 . 1 . 1 27 27 ARG H H 1 8.387 0.04 . 1 . . . . . 400 ARG H . 26335 1 227 . 1 . 1 27 27 ARG HA H 1 3.797 0.04 . 1 . . . . . 400 ARG HA . 26335 1 228 . 1 . 1 27 27 ARG HB2 H 1 1.603 0.04 . 2 . . . . . 400 ARG HB2 . 26335 1 229 . 1 . 1 27 27 ARG HB3 H 1 1.808 0.04 . 2 . . . . . 400 ARG HB3 . 26335 1 230 . 1 . 1 27 27 ARG C C 13 175.78 0.4 . 1 . . . . . 400 ARG C . 26335 1 231 . 1 . 1 27 27 ARG CA C 13 59.44 0.4 . 1 . . . . . 400 ARG CA . 26335 1 232 . 1 . 1 27 27 ARG CB C 13 29.91 0.4 . 1 . . . . . 400 ARG CB . 26335 1 233 . 1 . 1 27 27 ARG N N 15 118.77 0.2 . 1 . . . . . 400 ARG N . 26335 1 234 . 1 . 1 28 28 LEU H H 1 7.476 0.04 . 6 . . . . . 401 LEU H . 26335 1 235 . 1 . 1 28 28 LEU HA H 1 3.861 0.04 . 1 . . . . . 401 LEU HA . 26335 1 236 . 1 . 1 28 28 LEU HB2 H 1 1.446 0.04 . 2 . . . . . 401 LEU HB2 . 26335 1 237 . 1 . 1 28 28 LEU HB3 H 1 1.580 0.04 . 2 . . . . . 401 LEU HB3 . 26335 1 238 . 1 . 1 28 28 LEU HD11 H 1 0.629 0.04 . 2 . . . . . 401 LEU HD1* . 26335 1 239 . 1 . 1 28 28 LEU HD12 H 1 0.629 0.04 . 2 . . . . . 401 LEU HD1* . 26335 1 240 . 1 . 1 28 28 LEU HD13 H 1 0.629 0.04 . 2 . . . . . 401 LEU HD1* . 26335 1 241 . 1 . 1 28 28 LEU HD21 H 1 0.784 0.04 . 2 . . . . . 401 LEU HD2* . 26335 1 242 . 1 . 1 28 28 LEU HD22 H 1 0.784 0.04 . 2 . . . . . 401 LEU HD2* . 26335 1 243 . 1 . 1 28 28 LEU HD23 H 1 0.784 0.04 . 2 . . . . . 401 LEU HD2* . 26335 1 244 . 1 . 1 28 28 LEU HG H 1 1.245 0.04 . 1 . . . . . 401 LEU HG . 26335 1 245 . 1 . 1 28 28 LEU C C 13 175.99 0.4 . 6 . . . . . 401 LEU C . 26335 1 246 . 1 . 1 28 28 LEU CA C 13 57.52 0.4 . 6 . . . . . 401 LEU CA . 26335 1 247 . 1 . 1 28 28 LEU CB C 13 42.12 0.4 . 6 . . . . . 401 LEU CB . 26335 1 248 . 1 . 1 28 28 LEU CD1 C 13 24.36 0.4 . 2 . . . . . 401 LEU CD1 . 26335 1 249 . 1 . 1 28 28 LEU CD2 C 13 24.43 0.4 . 2 . . . . . 401 LEU CD2 . 26335 1 250 . 1 . 1 28 28 LEU CG C 13 27.00 0.4 . 1 . . . . . 401 LEU CG . 26335 1 251 . 1 . 1 28 28 LEU N N 15 119.97 0.2 . 6 . . . . . 401 LEU N . 26335 1 252 . 1 . 1 29 29 ILE H H 1 7.587 0.04 . 6 . . . . . 402 ILE H . 26335 1 253 . 1 . 1 29 29 ILE HA H 1 3.185 0.04 . 6 . . . . . 402 ILE HA . 26335 1 254 . 1 . 1 29 29 ILE HB H 1 1.711 0.04 . 6 . . . . . 402 ILE HB . 26335 1 255 . 1 . 1 29 29 ILE HD11 H 1 0.949 0.04 . 1 . . . . . 402 ILE HD1* . 26335 1 256 . 1 . 1 29 29 ILE HD12 H 1 0.949 0.04 . 1 . . . . . 402 ILE HD1* . 26335 1 257 . 1 . 1 29 29 ILE HD13 H 1 0.949 0.04 . 1 . . . . . 402 ILE HD1* . 26335 1 258 . 1 . 1 29 29 ILE HG21 H 1 0.705 0.04 . 6 . . . . . 402 ILE HG2* . 26335 1 259 . 1 . 1 29 29 ILE HG22 H 1 0.705 0.04 . 6 . . . . . 402 ILE HG2* . 26335 1 260 . 1 . 1 29 29 ILE HG23 H 1 0.705 0.04 . 6 . . . . . 402 ILE HG2* . 26335 1 261 . 1 . 1 29 29 ILE C C 13 174.44 0.4 . 1 . . . . . 402 ILE C . 26335 1 262 . 1 . 1 29 29 ILE CA C 13 66.29 0.4 . 6 . . . . . 402 ILE CA . 26335 1 263 . 1 . 1 29 29 ILE CB C 13 38.07 0.4 . 6 . . . . . 402 ILE CB . 26335 1 264 . 1 . 1 29 29 ILE CD1 C 13 14.31 0.4 . 1 . . . . . 402 ILE CD1 . 26335 1 265 . 1 . 1 29 29 ILE CG1 C 13 29.39 0.4 . 6 . . . . . 402 ILE CG1 . 26335 1 266 . 1 . 1 29 29 ILE CG2 C 13 18.18 0.4 . 6 . . . . . 402 ILE CG2 . 26335 1 267 . 1 . 1 29 29 ILE N N 15 118.31 0.2 . 6 . . . . . 402 ILE N . 26335 1 268 . 1 . 1 30 30 LYS H H 1 8.107 0.04 . 6 . . . . . 403 LYS H . 26335 1 269 . 1 . 1 30 30 LYS HA H 1 3.689 0.04 . 6 . . . . . 403 LYS HA . 26335 1 270 . 1 . 1 30 30 LYS HB2 H 1 1.766 0.04 . 6 . . . . . 403 LYS HB2 . 26335 1 271 . 1 . 1 30 30 LYS HB3 H 1 1.766 0.04 . 6 . . . . . 403 LYS HB3 . 26335 1 272 . 1 . 1 30 30 LYS C C 13 176.21 0.4 . 6 . . . . . 403 LYS C . 26335 1 273 . 1 . 1 30 30 LYS CA C 13 60.28 0.4 . 6 . . . . . 403 LYS CA . 26335 1 274 . 1 . 1 30 30 LYS CB C 13 32.35 0.4 . 6 . . . . . 403 LYS CB . 26335 1 275 . 1 . 1 30 30 LYS N N 15 116.95 0.2 . 6 . . . . . 403 LYS N . 26335 1 276 . 1 . 1 31 31 GLU H H 1 7.763 0.04 . 6 . . . . . 404 GLU H . 26335 1 277 . 1 . 1 31 31 GLU HA H 1 3.787 0.04 . 6 . . . . . 404 GLU HA . 26335 1 278 . 1 . 1 31 31 GLU HB2 H 1 1.966 0.04 . 6 . . . . . 404 GLU HB2 . 26335 1 279 . 1 . 1 31 31 GLU HB3 H 1 2.087 0.04 . 6 . . . . . 404 GLU HB3 . 26335 1 280 . 1 . 1 31 31 GLU C C 13 177.20 0.4 . 6 . . . . . 404 GLU C . 26335 1 281 . 1 . 1 31 31 GLU CA C 13 59.25 0.4 . 6 . . . . . 404 GLU CA . 26335 1 282 . 1 . 1 31 31 GLU CB C 13 29.40 0.4 . 6 . . . . . 404 GLU CB . 26335 1 283 . 1 . 1 31 31 GLU N N 15 117.52 0.2 . 6 . . . . . 404 GLU N . 26335 1 284 . 1 . 1 32 32 LYS H H 1 7.914 0.04 . 6 . . . . . 405 LYS H . 26335 1 285 . 1 . 1 32 32 LYS HA H 1 3.723 0.04 . 6 . . . . . 405 LYS HA . 26335 1 286 . 1 . 1 32 32 LYS HB2 H 1 0.525 0.04 . 6 . . . . . 405 LYS HB2 . 26335 1 287 . 1 . 1 32 32 LYS HB3 H 1 1.574 0.04 . 6 . . . . . 405 LYS HB3 . 26335 1 288 . 1 . 1 32 32 LYS C C 13 175.30 0.4 . 6 . . . . . 405 LYS C . 26335 1 289 . 1 . 1 32 32 LYS CA C 13 57.89 0.4 . 6 . . . . . 405 LYS CA . 26335 1 290 . 1 . 1 32 32 LYS CB C 13 29.91 0.4 . 6 . . . . . 405 LYS CB . 26335 1 291 . 1 . 1 32 32 LYS N N 15 120.28 0.2 . 6 . . . . . 405 LYS N . 26335 1 292 . 1 . 1 33 33 LEU H H 1 7.774 0.04 . 6 . . . . . 406 LEU H . 26335 1 293 . 1 . 1 33 33 LEU HA H 1 4.026 0.04 . 6 . . . . . 406 LEU HA . 26335 1 294 . 1 . 1 33 33 LEU HB2 H 1 1.542 0.04 . 6 . . . . . 406 LEU HB2 . 26335 1 295 . 1 . 1 33 33 LEU HB3 H 1 1.721 0.04 . 6 . . . . . 406 LEU HB3 . 26335 1 296 . 1 . 1 33 33 LEU HD11 H 1 0.586 0.04 . 2 . . . . . 406 LEU HD1* . 26335 1 297 . 1 . 1 33 33 LEU HD12 H 1 0.586 0.04 . 2 . . . . . 406 LEU HD1* . 26335 1 298 . 1 . 1 33 33 LEU HD13 H 1 0.586 0.04 . 2 . . . . . 406 LEU HD1* . 26335 1 299 . 1 . 1 33 33 LEU HD21 H 1 0.252 0.04 . 2 . . . . . 406 LEU HD2* . 26335 1 300 . 1 . 1 33 33 LEU HD22 H 1 0.252 0.04 . 2 . . . . . 406 LEU HD2* . 26335 1 301 . 1 . 1 33 33 LEU HD23 H 1 0.252 0.04 . 2 . . . . . 406 LEU HD2* . 26335 1 302 . 1 . 1 33 33 LEU C C 13 175.33 0.4 . 6 . . . . . 406 LEU C . 26335 1 303 . 1 . 1 33 33 LEU CA C 13 56.91 0.4 . 6 . . . . . 406 LEU CA . 26335 1 304 . 1 . 1 33 33 LEU CB C 13 40.94 0.4 . 6 . . . . . 406 LEU CB . 26335 1 305 . 1 . 1 33 33 LEU CD1 C 13 26.23 0.4 . 2 . . . . . 406 LEU CD1 . 26335 1 306 . 1 . 1 33 33 LEU CD2 C 13 22.15 0.4 . 2 . . . . . 406 LEU CD2 . 26335 1 307 . 1 . 1 33 33 LEU N N 15 114.39 0.2 . 6 . . . . . 406 LEU N . 26335 1 308 . 1 . 1 34 34 LYS H H 1 7.096 0.04 . 6 . . . . . 407 LYS H . 26335 1 309 . 1 . 1 34 34 LYS HA H 1 4.274 0.04 . 6 . . . . . 407 LYS HA . 26335 1 310 . 1 . 1 34 34 LYS HB2 H 1 1.758 0.04 . 6 . . . . . 407 LYS HB2 . 26335 1 311 . 1 . 1 34 34 LYS HB3 H 1 1.900 0.04 . 6 . . . . . 407 LYS HB3 . 26335 1 312 . 1 . 1 34 34 LYS C C 13 172.68 0.4 . 6 . . . . . 407 LYS C . 26335 1 313 . 1 . 1 34 34 LYS CA C 13 55.55 0.4 . 6 . . . . . 407 LYS CA . 26335 1 314 . 1 . 1 34 34 LYS CB C 13 32.75 0.4 . 6 . . . . . 407 LYS CB . 26335 1 315 . 1 . 1 34 34 LYS N N 15 114.75 0.2 . 6 . . . . . 407 LYS N . 26335 1 316 . 1 . 1 35 35 ASP H H 1 7.486 0.04 . 6 . . . . . 408 ASP H . 26335 1 317 . 1 . 1 35 35 ASP HA H 1 4.637 0.04 . 6 . . . . . 408 ASP HA . 26335 1 318 . 1 . 1 35 35 ASP HB2 H 1 2.561 0.04 . 6 . . . . . 408 ASP HB2 . 26335 1 319 . 1 . 1 35 35 ASP HB3 H 1 3.503 0.04 . 6 . . . . . 408 ASP HB3 . 26335 1 320 . 1 . 1 35 35 ASP C C 13 173.18 0.4 . 6 . . . . . 408 ASP C . 26335 1 321 . 1 . 1 35 35 ASP CA C 13 53.24 0.4 . 6 . . . . . 408 ASP CA . 26335 1 322 . 1 . 1 35 35 ASP CB C 13 41.45 0.4 . 6 . . . . . 408 ASP CB . 26335 1 323 . 1 . 1 35 35 ASP N N 15 122.50 0.2 . 6 . . . . . 408 ASP N . 26335 1 324 . 1 . 1 36 36 GLU H H 1 8.858 0.04 . 6 . . . . . 409 GLU H . 26335 1 325 . 1 . 1 36 36 GLU HA H 1 3.928 0.04 . 6 . . . . . 409 GLU HA . 26335 1 326 . 1 . 1 36 36 GLU HB2 H 1 2.044 0.04 . 6 . . . . . 409 GLU HB2 . 26335 1 327 . 1 . 1 36 36 GLU HB3 H 1 2.044 0.04 . 6 . . . . . 409 GLU HB3 . 26335 1 328 . 1 . 1 36 36 GLU C C 13 176.54 0.4 . 6 . . . . . 409 GLU C . 26335 1 329 . 1 . 1 36 36 GLU CA C 13 59.74 0.4 . 6 . . . . . 409 GLU CA . 26335 1 330 . 1 . 1 36 36 GLU CB C 13 29.83 0.4 . 6 . . . . . 409 GLU CB . 26335 1 331 . 1 . 1 36 36 GLU N N 15 126.72 0.2 . 6 . . . . . 409 GLU N . 26335 1 332 . 1 . 1 37 37 GLU H H 1 8.199 0.04 . 6 . . . . . 410 GLU H . 26335 1 333 . 1 . 1 37 37 GLU HA H 1 4.019 0.04 . 1 . . . . . 410 GLU HA . 26335 1 334 . 1 . 1 37 37 GLU HB2 H 1 2.125 0.04 . 1 . . . . . 410 GLU HB2 . 26335 1 335 . 1 . 1 37 37 GLU HB3 H 1 2.125 0.04 . 1 . . . . . 410 GLU HB3 . 26335 1 336 . 1 . 1 37 37 GLU C C 13 176.69 0.4 . 1 . . . . . 410 GLU C . 26335 1 337 . 1 . 1 37 37 GLU CA C 13 58.94 0.4 . 6 . . . . . 410 GLU CA . 26335 1 338 . 1 . 1 37 37 GLU CB C 13 28.81 0.4 . 6 . . . . . 410 GLU CB . 26335 1 339 . 1 . 1 37 37 GLU N N 15 117.78 0.2 . 6 . . . . . 410 GLU N . 26335 1 340 . 1 . 1 38 38 PHE H H 1 7.957 0.04 . 1 . . . . . 411 PHE H . 26335 1 341 . 1 . 1 38 38 PHE HD1 H 1 7.059 0.04 . 1 . . . . . 411 PHE HD1 . 26335 1 342 . 1 . 1 38 38 PHE HD2 H 1 7.059 0.04 . 1 . . . . . 411 PHE HD2 . 26335 1 343 . 1 . 1 38 38 PHE C C 13 174.29 0.4 . 1 . . . . . 411 PHE C . 26335 1 344 . 1 . 1 38 38 PHE CA C 13 62.080 0.4 . 1 . . . . . 411 PHE CA . 26335 1 345 . 1 . 1 38 38 PHE CB C 13 38.710 0.4 . 1 . . . . . 411 PHE CB . 26335 1 346 . 1 . 1 38 38 PHE CD1 C 13 132.42 0.4 . 1 . . . . . 411 PHE CD1 . 26335 1 347 . 1 . 1 38 38 PHE CD2 C 13 132.42 0.4 . 1 . . . . . 411 PHE CD2 . 26335 1 348 . 1 . 1 38 38 PHE N N 15 124.27 0.2 . 1 . . . . . 411 PHE N . 26335 1 349 . 1 . 1 39 39 ILE H H 1 8.223 0.04 . 1 . . . . . 412 ILE H . 26335 1 350 . 1 . 1 39 39 ILE HA H 1 3.533 0.04 . 1 . . . . . 412 ILE HA . 26335 1 351 . 1 . 1 39 39 ILE HB H 1 2.058 0.04 . 1 . . . . . 412 ILE HB . 26335 1 352 . 1 . 1 39 39 ILE HD11 H 1 0.811 0.04 . 1 . . . . . 412 ILE HD1* . 26335 1 353 . 1 . 1 39 39 ILE HD12 H 1 0.811 0.04 . 1 . . . . . 412 ILE HD1* . 26335 1 354 . 1 . 1 39 39 ILE HD13 H 1 0.811 0.04 . 1 . . . . . 412 ILE HD1* . 26335 1 355 . 1 . 1 39 39 ILE HG12 H 1 1.492 0.04 . 2 . . . . . 412 ILE HG12 . 26335 1 356 . 1 . 1 39 39 ILE HG13 H 1 1.803 0.04 . 2 . . . . . 412 ILE HG13 . 26335 1 357 . 1 . 1 39 39 ILE HG21 H 1 0.857 0.04 . 1 . . . . . 412 ILE HG2* . 26335 1 358 . 1 . 1 39 39 ILE HG22 H 1 0.857 0.04 . 1 . . . . . 412 ILE HG2* . 26335 1 359 . 1 . 1 39 39 ILE HG23 H 1 0.857 0.04 . 1 . . . . . 412 ILE HG2* . 26335 1 360 . 1 . 1 39 39 ILE C C 13 175.78 0.4 . 1 . . . . . 412 ILE C . 26335 1 361 . 1 . 1 39 39 ILE CA C 13 62.38 0.4 . 1 . . . . . 412 ILE CA . 26335 1 362 . 1 . 1 39 39 ILE CB C 13 36.09 0.4 . 1 . . . . . 412 ILE CB . 26335 1 363 . 1 . 1 39 39 ILE CD1 C 13 9.71 0.4 . 1 . . . . . 412 ILE CD1 . 26335 1 364 . 1 . 1 39 39 ILE CG1 C 13 27.01 0.4 . 1 . . . . . 412 ILE CG1 . 26335 1 365 . 1 . 1 39 39 ILE CG2 C 13 17.38 0.4 . 1 . . . . . 412 ILE CG2 . 26335 1 366 . 1 . 1 39 39 ILE N N 15 118.94 0.2 . 1 . . . . . 412 ILE N . 26335 1 367 . 1 . 1 40 40 LYS H H 1 7.969 0.04 . 1 . . . . . 413 LYS H . 26335 1 368 . 1 . 1 40 40 LYS HA H 1 3.892 0.04 . 1 . . . . . 413 LYS HA . 26335 1 369 . 1 . 1 40 40 LYS C C 13 176.62 0.4 . 1 . . . . . 413 LYS C . 26335 1 370 . 1 . 1 40 40 LYS CA C 13 60.15 0.4 . 1 . . . . . 413 LYS CA . 26335 1 371 . 1 . 1 40 40 LYS CB C 13 32.78 0.4 . 1 . . . . . 413 LYS CB . 26335 1 372 . 1 . 1 40 40 LYS N N 15 119.21 0.2 . 1 . . . . . 413 LYS N . 26335 1 373 . 1 . 1 41 41 TRP H H 1 8.368 0.04 . 1 . . . . . 414 TRP H . 26335 1 374 . 1 . 1 41 41 TRP CA C 13 61.78 0.4 . 1 . . . . . 414 TRP CA . 26335 1 375 . 1 . 1 41 41 TRP CB C 13 26.79 0.4 . 1 . . . . . 414 TRP CB . 26335 1 376 . 1 . 1 41 41 TRP N N 15 122.62 0.2 . 1 . . . . . 414 TRP N . 26335 1 377 . 1 . 1 45 45 VAL H H 1 8.355 0.04 . 1 . . . . . 418 VAL H . 26335 1 378 . 1 . 1 45 45 VAL HA H 1 3.122 0.04 . 1 . . . . . 418 VAL HA . 26335 1 379 . 1 . 1 45 45 VAL HB H 1 1.487 0.04 . 1 . . . . . 418 VAL HB . 26335 1 380 . 1 . 1 45 45 VAL HG11 H 1 -0.209 0.04 . 2 . . . . . 418 VAL HG1* . 26335 1 381 . 1 . 1 45 45 VAL HG12 H 1 -0.209 0.04 . 2 . . . . . 418 VAL HG1* . 26335 1 382 . 1 . 1 45 45 VAL HG13 H 1 -0.209 0.04 . 2 . . . . . 418 VAL HG1* . 26335 1 383 . 1 . 1 45 45 VAL HG21 H 1 0.554 0.04 . 2 . . . . . 418 VAL HG2* . 26335 1 384 . 1 . 1 45 45 VAL HG22 H 1 0.554 0.04 . 2 . . . . . 418 VAL HG2* . 26335 1 385 . 1 . 1 45 45 VAL HG23 H 1 0.554 0.04 . 2 . . . . . 418 VAL HG2* . 26335 1 386 . 1 . 1 45 45 VAL C C 13 175.00 0.4 . 1 . . . . . 418 VAL C . 26335 1 387 . 1 . 1 45 45 VAL CA C 13 67.37 0.4 . 1 . . . . . 418 VAL CA . 26335 1 388 . 1 . 1 45 45 VAL CB C 13 30.53 0.4 . 1 . . . . . 418 VAL CB . 26335 1 389 . 1 . 1 45 45 VAL CG1 C 13 21.95 0.4 . 2 . . . . . 418 VAL CG1 . 26335 1 390 . 1 . 1 45 45 VAL CG2 C 13 21.71 0.4 . 2 . . . . . 418 VAL CG2 . 26335 1 391 . 1 . 1 45 45 VAL N N 15 122.58 0.2 . 1 . . . . . 418 VAL N . 26335 1 392 . 1 . 1 46 46 GLU H H 1 8.627 0.04 . 1 . . . . . 419 GLU H . 26335 1 393 . 1 . 1 46 46 GLU HA H 1 3.575 0.04 . 1 . . . . . 419 GLU HA . 26335 1 394 . 1 . 1 46 46 GLU HB2 H 1 1.891 0.04 . 2 . . . . . 419 GLU HB2 . 26335 1 395 . 1 . 1 46 46 GLU HB3 H 1 1.992 0.04 . 2 . . . . . 419 GLU HB3 . 26335 1 396 . 1 . 1 46 46 GLU C C 13 175.23 0.4 . 1 . . . . . 419 GLU C . 26335 1 397 . 1 . 1 46 46 GLU CA C 13 60.96 0.4 . 1 . . . . . 419 GLU CA . 26335 1 398 . 1 . 1 46 46 GLU CB C 13 28.94 0.4 . 1 . . . . . 419 GLU CB . 26335 1 399 . 1 . 1 46 46 GLU N N 15 120.65 0.2 . 1 . . . . . 419 GLU N . 26335 1 400 . 1 . 1 47 47 THR H H 1 7.755 0.04 . 1 . . . . . 420 THR H . 26335 1 401 . 1 . 1 47 47 THR HA H 1 3.950 0.04 . 1 . . . . . 420 THR HA . 26335 1 402 . 1 . 1 47 47 THR HB H 1 4.275 0.04 . 1 . . . . . 420 THR HB . 26335 1 403 . 1 . 1 47 47 THR C C 13 174.11 0.4 . 1 . . . . . 420 THR C . 26335 1 404 . 1 . 1 47 47 THR CA C 13 66.85 0.4 . 1 . . . . . 420 THR CA . 26335 1 405 . 1 . 1 47 47 THR CB C 13 68.82 0.4 . 1 . . . . . 420 THR CB . 26335 1 406 . 1 . 1 47 47 THR N N 15 114.51 0.2 . 1 . . . . . 420 THR N . 26335 1 407 . 1 . 1 48 48 VAL H H 1 7.667 0.04 . 1 . . . . . 421 VAL H . 26335 1 408 . 1 . 1 48 48 VAL HA H 1 3.554 0.04 . 1 . . . . . 421 VAL HA . 26335 1 409 . 1 . 1 48 48 VAL HB H 1 2.102 0.04 . 1 . . . . . 421 VAL HB . 26335 1 410 . 1 . 1 48 48 VAL HG11 H 1 0.821 0.04 . 2 . . . . . 421 VAL HG1* . 26335 1 411 . 1 . 1 48 48 VAL HG12 H 1 0.821 0.04 . 2 . . . . . 421 VAL HG1* . 26335 1 412 . 1 . 1 48 48 VAL HG13 H 1 0.821 0.04 . 2 . . . . . 421 VAL HG1* . 26335 1 413 . 1 . 1 48 48 VAL HG21 H 1 0.974 0.04 . 2 . . . . . 421 VAL HG2* . 26335 1 414 . 1 . 1 48 48 VAL HG22 H 1 0.974 0.04 . 2 . . . . . 421 VAL HG2* . 26335 1 415 . 1 . 1 48 48 VAL HG23 H 1 0.974 0.04 . 2 . . . . . 421 VAL HG2* . 26335 1 416 . 1 . 1 48 48 VAL C C 13 175.74 0.4 . 1 . . . . . 421 VAL C . 26335 1 417 . 1 . 1 48 48 VAL CA C 13 66.85 0.4 . 1 . . . . . 421 VAL CA . 26335 1 418 . 1 . 1 48 48 VAL CB C 13 31.54 0.4 . 1 . . . . . 421 VAL CB . 26335 1 419 . 1 . 1 48 48 VAL CG1 C 13 21.66 0.4 . 2 . . . . . 421 VAL CG1 . 26335 1 420 . 1 . 1 48 48 VAL CG2 C 13 23.04 0.4 . 2 . . . . . 421 VAL CG2 . 26335 1 421 . 1 . 1 48 48 VAL N N 15 123.66 0.2 . 1 . . . . . 421 VAL N . 26335 1 422 . 1 . 1 49 49 LEU H H 1 8.857 0.04 . 1 . . . . . 422 LEU H . 26335 1 423 . 1 . 1 49 49 LEU HA H 1 4.149 0.04 . 1 . . . . . 422 LEU HA . 26335 1 424 . 1 . 1 49 49 LEU HB2 H 1 1.835 0.04 . 1 . . . . . 422 LEU HB2 . 26335 1 425 . 1 . 1 49 49 LEU HB3 H 1 1.835 0.04 . 1 . . . . . 422 LEU HB3 . 26335 1 426 . 1 . 1 49 49 LEU HD11 H 1 0.997 0.04 . 2 . . . . . 422 LEU HD1* . 26335 1 427 . 1 . 1 49 49 LEU HD12 H 1 0.997 0.04 . 2 . . . . . 422 LEU HD1* . 26335 1 428 . 1 . 1 49 49 LEU HD13 H 1 0.997 0.04 . 2 . . . . . 422 LEU HD1* . 26335 1 429 . 1 . 1 49 49 LEU HD21 H 1 1.037 0.04 . 2 . . . . . 422 LEU HD2* . 26335 1 430 . 1 . 1 49 49 LEU HD22 H 1 1.037 0.04 . 2 . . . . . 422 LEU HD2* . 26335 1 431 . 1 . 1 49 49 LEU HD23 H 1 1.037 0.04 . 2 . . . . . 422 LEU HD2* . 26335 1 432 . 1 . 1 49 49 LEU C C 13 175.72 0.4 . 1 . . . . . 422 LEU C . 26335 1 433 . 1 . 1 49 49 LEU CA C 13 58.15 0.4 . 1 . . . . . 422 LEU CA . 26335 1 434 . 1 . 1 49 49 LEU CB C 13 43.19 0.4 . 1 . . . . . 422 LEU CB . 26335 1 435 . 1 . 1 49 49 LEU CD1 C 13 25.40 0.4 . 2 . . . . . 422 LEU CD1 . 26335 1 436 . 1 . 1 49 49 LEU CD2 C 13 26.06 0.4 . 2 . . . . . 422 LEU CD2 . 26335 1 437 . 1 . 1 49 49 LEU N N 15 121.98 0.2 . 1 . . . . . 422 LEU N . 26335 1 438 . 1 . 1 50 50 ASN H H 1 8.537 0.04 . 6 . . . . . 423 ASN H . 26335 1 439 . 1 . 1 50 50 ASN HA H 1 4.322 0.04 . 6 . . . . . 423 ASN HA . 26335 1 440 . 1 . 1 50 50 ASN HB2 H 1 2.752 0.04 . 6 . . . . . 423 ASN HB2 . 26335 1 441 . 1 . 1 50 50 ASN HB3 H 1 2.802 0.04 . 6 . . . . . 423 ASN HB3 . 26335 1 442 . 1 . 1 50 50 ASN HD21 H 1 7.516 0.04 . 2 . . . . . 423 ASN HD21 . 26335 1 443 . 1 . 1 50 50 ASN HD22 H 1 6.764 0.04 . 2 . . . . . 423 ASN HD22 . 26335 1 444 . 1 . 1 50 50 ASN C C 13 174.49 0.4 . 6 . . . . . 423 ASN C . 26335 1 445 . 1 . 1 50 50 ASN CA C 13 56.37 0.4 . 6 . . . . . 423 ASN CA . 26335 1 446 . 1 . 1 50 50 ASN CB C 13 39.31 0.4 . 6 . . . . . 423 ASN CB . 26335 1 447 . 1 . 1 50 50 ASN N N 15 115.65 0.2 . 6 . . . . . 423 ASN N . 26335 1 448 . 1 . 1 50 50 ASN ND2 N 15 112.47 0.2 . 1 . . . . . 423 ASN ND2 . 26335 1 449 . 1 . 1 51 51 LYS H H 1 7.362 0.04 . 6 . . . . . 424 LYS H . 26335 1 450 . 1 . 1 51 51 LYS HA H 1 4.076 0.04 . 6 . . . . . 424 LYS HA . 26335 1 451 . 1 . 1 51 51 LYS HB2 H 1 1.863 0.04 . 6 . . . . . 424 LYS HB2 . 26335 1 452 . 1 . 1 51 51 LYS HB3 H 1 1.863 0.04 . 6 . . . . . 424 LYS HB3 . 26335 1 453 . 1 . 1 51 51 LYS C C 13 176.05 0.4 . 6 . . . . . 424 LYS C . 26335 1 454 . 1 . 1 51 51 LYS CA C 13 57.63 0.4 . 6 . . . . . 424 LYS CA . 26335 1 455 . 1 . 1 51 51 LYS CB C 13 32.06 0.4 . 6 . . . . . 424 LYS CB . 26335 1 456 . 1 . 1 51 51 LYS N N 15 116.62 0.2 . 6 . . . . . 424 LYS N . 26335 1 457 . 1 . 1 52 52 MET H H 1 8.014 0.04 . 6 . . . . . 425 MET H . 26335 1 458 . 1 . 1 52 52 MET HA H 1 3.721 0.04 . 6 . . . . . 425 MET HA . 26335 1 459 . 1 . 1 52 52 MET HB2 H 1 1.292 0.04 . 6 . . . . . 425 MET HB2 . 26335 1 460 . 1 . 1 52 52 MET HB3 H 1 1.844 0.04 . 6 . . . . . 425 MET HB3 . 26335 1 461 . 1 . 1 52 52 MET HE1 H 1 1.897 0.04 . 1 . . . . . 425 MET HE* . 26335 1 462 . 1 . 1 52 52 MET HE2 H 1 1.897 0.04 . 1 . . . . . 425 MET HE* . 26335 1 463 . 1 . 1 52 52 MET HE3 H 1 1.897 0.04 . 1 . . . . . 425 MET HE* . 26335 1 464 . 1 . 1 52 52 MET HG2 H 1 2.014 0.04 . 2 . . . . . 425 MET HG2 . 26335 1 465 . 1 . 1 52 52 MET HG3 H 1 2.392 0.04 . 2 . . . . . 425 MET HG3 . 26335 1 466 . 1 . 1 52 52 MET C C 13 174.13 0.4 . 6 . . . . . 425 MET C . 26335 1 467 . 1 . 1 52 52 MET CA C 13 58.55 0.4 . 6 . . . . . 425 MET CA . 26335 1 468 . 1 . 1 52 52 MET CB C 13 34.89 0.4 . 6 . . . . . 425 MET CB . 26335 1 469 . 1 . 1 52 52 MET CE C 13 16.57 0.4 . 1 . . . . . 425 MET CE . 26335 1 470 . 1 . 1 52 52 MET CG C 13 31.71 0.4 . 1 . . . . . 425 MET CG . 26335 1 471 . 1 . 1 52 52 MET N N 15 118.29 0.2 . 6 . . . . . 425 MET N . 26335 1 472 . 1 . 1 53 53 PHE H H 1 7.455 0.04 . 6 . . . . . 426 PHE H . 26335 1 473 . 1 . 1 53 53 PHE HA H 1 4.793 0.04 . 6 . . . . . 426 PHE HA . 26335 1 474 . 1 . 1 53 53 PHE HB2 H 1 2.593 0.04 . 6 . . . . . 426 PHE HB2 . 26335 1 475 . 1 . 1 53 53 PHE HB3 H 1 3.000 0.04 . 6 . . . . . 426 PHE HB3 . 26335 1 476 . 1 . 1 53 53 PHE HD1 H 1 7.223 0.04 . 6 . . . . . 426 PHE HD1 . 26335 1 477 . 1 . 1 53 53 PHE HD2 H 1 7.223 0.04 . 6 . . . . . 426 PHE HD2 . 26335 1 478 . 1 . 1 53 53 PHE HE1 H 1 7.080 0.04 . 1 . . . . . 426 PHE HE1 . 26335 1 479 . 1 . 1 53 53 PHE HE2 H 1 7.080 0.04 . 1 . . . . . 426 PHE HE2 . 26335 1 480 . 1 . 1 53 53 PHE C C 13 172.19 0.4 . 6 . . . . . 426 PHE C . 26335 1 481 . 1 . 1 53 53 PHE CA C 13 56.57 0.4 . 6 . . . . . 426 PHE CA . 26335 1 482 . 1 . 1 53 53 PHE CB C 13 38.74 0.4 . 6 . . . . . 426 PHE CB . 26335 1 483 . 1 . 1 53 53 PHE CD1 C 13 132.39 0.4 . 6 . . . . . 426 PHE CD1 . 26335 1 484 . 1 . 1 53 53 PHE CD2 C 13 132.39 0.4 . 6 . . . . . 426 PHE CD2 . 26335 1 485 . 1 . 1 53 53 PHE CE1 C 13 130.94 0.4 . 1 . . . . . 426 PHE CE1 . 26335 1 486 . 1 . 1 53 53 PHE CE2 C 13 130.94 0.4 . 1 . . . . . 426 PHE CE2 . 26335 1 487 . 1 . 1 53 53 PHE N N 15 116.11 0.2 . 6 . . . . . 426 PHE N . 26335 1 488 . 1 . 1 54 54 GLU H H 1 7.670 0.04 . 6 . . . . . 427 GLU H . 26335 1 489 . 1 . 1 54 54 GLU HA H 1 4.131 0.04 . 6 . . . . . 427 GLU HA . 26335 1 490 . 1 . 1 54 54 GLU HB2 H 1 2.004 0.04 . 6 . . . . . 427 GLU HB2 . 26335 1 491 . 1 . 1 54 54 GLU HB3 H 1 2.004 0.04 . 6 . . . . . 427 GLU HB3 . 26335 1 492 . 1 . 1 54 54 GLU C C 13 173.25 0.4 . 6 . . . . . 427 GLU C . 26335 1 493 . 1 . 1 54 54 GLU CA C 13 57.82 0.4 . 6 . . . . . 427 GLU CA . 26335 1 494 . 1 . 1 54 54 GLU CB C 13 30.46 0.4 . 6 . . . . . 427 GLU CB . 26335 1 495 . 1 . 1 54 54 GLU N N 15 122.20 0.2 . 6 . . . . . 427 GLU N . 26335 1 496 . 1 . 1 55 55 LYS H H 1 7.881 0.04 . 6 . . . . . 428 LYS H . 26335 1 497 . 1 . 1 55 55 LYS CA C 13 57.88 0.4 . 6 . . . . . 428 LYS CA . 26335 1 498 . 1 . 1 55 55 LYS CB C 13 33.75 0.4 . 6 . . . . . 428 LYS CB . 26335 1 499 . 1 . 1 55 55 LYS N N 15 124.95 0.2 . 6 . . . . . 428 LYS N . 26335 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 26335 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name RecB _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 1H-15N HSQC' 1 $sample_1 isotropic 26335 2 2 '3D HNCACB' 1 $sample_1 isotropic 26335 2 3 '3D HN(CO)CACB' 1 $sample_1 isotropic 26335 2 4 '3D HNCO' 1 $sample_1 isotropic 26335 2 5 '3D HN(CA)CO' 1 $sample_1 isotropic 26335 2 6 '3D HBHA(CO)NH' 1 $sample_1 isotropic 26335 2 7 '3D H(C)CH TOCSY' 1 $sample_1 isotropic 26335 2 8 '3D (H)CCH TOCSY' 1 $sample_1 isotropic 26335 2 9 '2D 1H-13C HSQC' 1 $sample_1 isotropic 26335 2 10 '2D 1H-13C HSQC aromatic' 1 $sample_1 isotropic 26335 2 11 '3D 1H-15N NOESY' 1 $sample_1 isotropic 26335 2 12 '3D 1H-13C NOESY aliphatic' 1 $sample_1 isotropic 26335 2 13 '3D 1H-13C NOESY aromatic' 1 $sample_1 isotropic 26335 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 . . 26335 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 . 2 . 1 2 2 GLU C C 13 172.88 0.4 . 1 . . . . . 375 GLU C . 26335 2 2 . 2 . 1 2 2 GLU CA C 13 56.24 0.4 . 1 . . . . . 375 GLU CA . 26335 2 3 . 2 . 1 2 2 GLU CB C 13 30.44 0.4 . 1 . . . . . 375 GLU CB . 26335 2 4 . 2 . 1 3 3 ALA H H 1 8.445 0.04 . 1 . . . . . 376 ALA H . 26335 2 5 . 2 . 1 3 3 ALA HA H 1 4.249 0.04 . 1 . . . . . 376 ALA HA . 26335 2 6 . 2 . 1 3 3 ALA HB1 H 1 1.295 0.04 . 1 . . . . . 376 ALA HB* . 26335 2 7 . 2 . 1 3 3 ALA HB2 H 1 1.295 0.04 . 1 . . . . . 376 ALA HB* . 26335 2 8 . 2 . 1 3 3 ALA HB3 H 1 1.295 0.04 . 1 . . . . . 376 ALA HB* . 26335 2 9 . 2 . 1 3 3 ALA C C 13 174.71 0.4 . 1 . . . . . 376 ALA C . 26335 2 10 . 2 . 1 3 3 ALA CA C 13 52.26 0.4 . 1 . . . . . 376 ALA CA . 26335 2 11 . 2 . 1 3 3 ALA CB C 13 19.36 0.4 . 1 . . . . . 376 ALA CB . 26335 2 12 . 2 . 1 3 3 ALA N N 15 125.80 0.2 . 1 . . . . . 376 ALA N . 26335 2 13 . 2 . 1 4 4 SER H H 1 8.336 0.04 . 1 . . . . . 377 SER H . 26335 2 14 . 2 . 1 4 4 SER C C 13 170.40 0.4 . 1 . . . . . 377 SER C . 26335 2 15 . 2 . 1 4 4 SER CA C 13 56.26 0.4 . 1 . . . . . 377 SER CA . 26335 2 16 . 2 . 1 4 4 SER CB C 13 63.29 0.4 . 1 . . . . . 377 SER CB . 26335 2 17 . 2 . 1 4 4 SER N N 15 116.79 0.2 . 1 . . . . . 377 SER N . 26335 2 18 . 2 . 1 5 5 PRO HA H 1 4.384 0.04 . 1 . . . . . 378 PRO HA . 26335 2 19 . 2 . 1 5 5 PRO HB2 H 1 1.883 0.04 . 2 . . . . . 378 PRO HB2 . 26335 2 20 . 2 . 1 5 5 PRO HB3 H 1 2.243 0.04 . 2 . . . . . 378 PRO HB3 . 26335 2 21 . 2 . 1 5 5 PRO C C 13 174.52 0.4 . 1 . . . . . 378 PRO C . 26335 2 22 . 2 . 1 5 5 PRO CA C 13 63.56 0.4 . 1 . . . . . 378 PRO CA . 26335 2 23 . 2 . 1 5 5 PRO CB C 13 32.04 0.4 . 1 . . . . . 378 PRO CB . 26335 2 24 . 2 . 1 6 6 SER H H 1 8.283 0.04 . 1 . . . . . 379 SER H . 26335 2 25 . 2 . 1 6 6 SER HA H 1 4.325 0.04 . 1 . . . . . 379 SER HA . 26335 2 26 . 2 . 1 6 6 SER HB2 H 1 3.790 0.04 . 1 . . . . . 379 SER HB2 . 26335 2 27 . 2 . 1 6 6 SER HB3 H 1 3.790 0.04 . 1 . . . . . 379 SER HB3 . 26335 2 28 . 2 . 1 6 6 SER C C 13 172.15 0.4 . 1 . . . . . 379 SER C . 26335 2 29 . 2 . 1 6 6 SER CA C 13 58.64 0.4 . 1 . . . . . 379 SER CA . 26335 2 30 . 2 . 1 6 6 SER CB C 13 63.65 0.4 . 1 . . . . . 379 SER CB . 26335 2 31 . 2 . 1 6 6 SER N N 15 115.53 0.2 . 1 . . . . . 379 SER N . 26335 2 32 . 2 . 1 7 7 GLU H H 1 8.269 0.04 . 1 . . . . . 380 GLU H . 26335 2 33 . 2 . 1 7 7 GLU HA H 1 4.208 0.04 . 1 . . . . . 380 GLU HA . 26335 2 34 . 2 . 1 7 7 GLU HB2 H 1 1.899 0.04 . 2 . . . . . 380 GLU HB2 . 26335 2 35 . 2 . 1 7 7 GLU HB3 H 1 2.000 0.04 . 2 . . . . . 380 GLU HB3 . 26335 2 36 . 2 . 1 7 7 GLU C C 13 174.24 0.4 . 1 . . . . . 380 GLU C . 26335 2 37 . 2 . 1 7 7 GLU CA C 13 56.96 0.4 . 1 . . . . . 380 GLU CA . 26335 2 38 . 2 . 1 7 7 GLU CB C 13 30.18 0.4 . 1 . . . . . 380 GLU CB . 26335 2 39 . 2 . 1 7 7 GLU N N 15 122.68 0.2 . 1 . . . . . 380 GLU N . 26335 2 40 . 2 . 1 8 8 GLY H H 1 8.283 0.04 . 1 . . . . . 381 GLY H . 26335 2 41 . 2 . 1 8 8 GLY HA2 H 1 3.867 0.04 . 1 . . . . . 381 GLY HA2 . 26335 2 42 . 2 . 1 8 8 GLY HA3 H 1 3.867 0.04 . 1 . . . . . 381 GLY HA3 . 26335 2 43 . 2 . 1 8 8 GLY C C 13 171.37 0.4 . 1 . . . . . 381 GLY C . 26335 2 44 . 2 . 1 8 8 GLY CA C 13 45.36 0.4 . 1 . . . . . 381 GLY CA . 26335 2 45 . 2 . 1 8 8 GLY N N 15 109.14 0.2 . 1 . . . . . 381 GLY N . 26335 2 46 . 2 . 1 9 9 LEU H H 1 7.985 0.04 . 1 . . . . . 382 LEU H . 26335 2 47 . 2 . 1 9 9 LEU HA H 1 4.309 0.04 . 1 . . . . . 382 LEU HA . 26335 2 48 . 2 . 1 9 9 LEU HB2 H 1 1.521 0.04 . 2 . . . . . 382 LEU HB2 . 26335 2 49 . 2 . 1 9 9 LEU HB3 H 1 1.578 0.04 . 2 . . . . . 382 LEU HB3 . 26335 2 50 . 2 . 1 9 9 LEU HD11 H 1 0.786 0.04 . 2 . . . . . 382 LEU HD1* . 26335 2 51 . 2 . 1 9 9 LEU HD12 H 1 0.786 0.04 . 2 . . . . . 382 LEU HD1* . 26335 2 52 . 2 . 1 9 9 LEU HD13 H 1 0.786 0.04 . 2 . . . . . 382 LEU HD1* . 26335 2 53 . 2 . 1 9 9 LEU HD21 H 1 0.838 0.04 . 2 . . . . . 382 LEU HD2* . 26335 2 54 . 2 . 1 9 9 LEU HD22 H 1 0.838 0.04 . 2 . . . . . 382 LEU HD2* . 26335 2 55 . 2 . 1 9 9 LEU HD23 H 1 0.838 0.04 . 2 . . . . . 382 LEU HD2* . 26335 2 56 . 2 . 1 9 9 LEU HG H 1 1.521 0.04 . 1 . . . . . 382 LEU HG . 26335 2 57 . 2 . 1 9 9 LEU C C 13 174.83 0.4 . 1 . . . . . 382 LEU C . 26335 2 58 . 2 . 1 9 9 LEU CA C 13 55.36 0.4 . 1 . . . . . 382 LEU CA . 26335 2 59 . 2 . 1 9 9 LEU CB C 13 42.49 0.4 . 1 . . . . . 382 LEU CB . 26335 2 60 . 2 . 1 9 9 LEU CD1 C 13 23.58 0.4 . 2 . . . . . 382 LEU CD1 . 26335 2 61 . 2 . 1 9 9 LEU CD2 C 13 24.88 0.4 . 2 . . . . . 382 LEU CD2 . 26335 2 62 . 2 . 1 9 9 LEU CG C 13 26.87 0.4 . 1 . . . . . 382 LEU CG . 26335 2 63 . 2 . 1 9 9 LEU N N 15 121.30 0.2 . 1 . . . . . 382 LEU N . 26335 2 64 . 2 . 1 10 10 THR H H 1 8.067 0.04 . 1 . . . . . 383 THR H . 26335 2 65 . 2 . 1 10 10 THR HA H 1 4.229 0.04 . 1 . . . . . 383 THR HA . 26335 2 66 . 2 . 1 10 10 THR HB H 1 4.079 0.04 . 1 . . . . . 383 THR HB . 26335 2 67 . 2 . 1 10 10 THR C C 13 171.68 0.4 . 1 . . . . . 383 THR C . 26335 2 68 . 2 . 1 10 10 THR CA C 13 62.15 0.4 . 1 . . . . . 383 THR CA . 26335 2 69 . 2 . 1 10 10 THR CB C 13 69.72 0.4 . 1 . . . . . 383 THR CB . 26335 2 70 . 2 . 1 10 10 THR N N 15 115.35 0.2 . 1 . . . . . 383 THR N . 26335 2 71 . 2 . 1 11 11 ILE H H 1 8.033 0.04 . 1 . . . . . 384 ILE H . 26335 2 72 . 2 . 1 11 11 ILE HA H 1 4.049 0.04 . 1 . . . . . 384 ILE HA . 26335 2 73 . 2 . 1 11 11 ILE HB H 1 1.746 0.04 . 1 . . . . . 384 ILE HB . 26335 2 74 . 2 . 1 11 11 ILE HD11 H 1 0.749 0.04 . 1 . . . . . 384 ILE HD1* . 26335 2 75 . 2 . 1 11 11 ILE HD12 H 1 0.749 0.04 . 1 . . . . . 384 ILE HD1* . 26335 2 76 . 2 . 1 11 11 ILE HD13 H 1 0.749 0.04 . 1 . . . . . 384 ILE HD1* . 26335 2 77 . 2 . 1 11 11 ILE HG12 H 1 1.076 0.04 . 2 . . . . . 384 ILE HG12 . 26335 2 78 . 2 . 1 11 11 ILE HG13 H 1 1.360 0.04 . 2 . . . . . 384 ILE HG13 . 26335 2 79 . 2 . 1 11 11 ILE HG21 H 1 0.783 0.04 . 1 . . . . . 384 ILE HG2* . 26335 2 80 . 2 . 1 11 11 ILE HG22 H 1 0.783 0.04 . 1 . . . . . 384 ILE HG2* . 26335 2 81 . 2 . 1 11 11 ILE HG23 H 1 0.783 0.04 . 1 . . . . . 384 ILE HG2* . 26335 2 82 . 2 . 1 11 11 ILE C C 13 173.21 0.4 . 1 . . . . . 384 ILE C . 26335 2 83 . 2 . 1 11 11 ILE CA C 13 61.04 0.4 . 1 . . . . . 384 ILE CA . 26335 2 84 . 2 . 1 11 11 ILE CB C 13 38.55 0.4 . 1 . . . . . 384 ILE CB . 26335 2 85 . 2 . 1 11 11 ILE CD1 C 13 12.77 0.4 . 1 . . . . . 384 ILE CD1 . 26335 2 86 . 2 . 1 11 11 ILE CG1 C 13 27.24 0.4 . 1 . . . . . 384 ILE CG1 . 26335 2 87 . 2 . 1 11 11 ILE CG2 C 13 17.45 0.4 . 1 . . . . . 384 ILE CG2 . 26335 2 88 . 2 . 1 11 11 ILE N N 15 123.42 0.2 . 1 . . . . . 384 ILE N . 26335 2 89 . 2 . 1 12 12 ARG H H 1 8.269 0.04 . 1 . . . . . 385 ARG H . 26335 2 90 . 2 . 1 12 12 ARG HA H 1 4.301 0.04 . 1 . . . . . 385 ARG HA . 26335 2 91 . 2 . 1 12 12 ARG HB2 H 1 1.665 0.04 . 2 . . . . . 385 ARG HB2 . 26335 2 92 . 2 . 1 12 12 ARG HB3 H 1 1.735 0.04 . 2 . . . . . 385 ARG HB3 . 26335 2 93 . 2 . 1 12 12 ARG C C 13 173.41 0.4 . 1 . . . . . 385 ARG C . 26335 2 94 . 2 . 1 12 12 ARG CA C 13 55.97 0.4 . 1 . . . . . 385 ARG CA . 26335 2 95 . 2 . 1 12 12 ARG CB C 13 30.81 0.4 . 1 . . . . . 385 ARG CB . 26335 2 96 . 2 . 1 12 12 ARG N N 15 125.30 0.2 . 1 . . . . . 385 ARG N . 26335 2 97 . 2 . 1 13 13 VAL H H 1 8.062 0.04 . 1 . . . . . 386 VAL H . 26335 2 98 . 2 . 1 13 13 VAL HA H 1 3.991 0.04 . 1 . . . . . 386 VAL HA . 26335 2 99 . 2 . 1 13 13 VAL HB H 1 1.937 0.04 . 1 . . . . . 386 VAL HB . 26335 2 100 . 2 . 1 13 13 VAL HG11 H 1 0.826 0.04 . 2 . . . . . 386 VAL HG1* . 26335 2 101 . 2 . 1 13 13 VAL HG12 H 1 0.826 0.04 . 2 . . . . . 386 VAL HG1* . 26335 2 102 . 2 . 1 13 13 VAL HG13 H 1 0.826 0.04 . 2 . . . . . 386 VAL HG1* . 26335 2 103 . 2 . 1 13 13 VAL HG21 H 1 0.826 0.04 . 2 . . . . . 386 VAL HG2* . 26335 2 104 . 2 . 1 13 13 VAL HG22 H 1 0.826 0.04 . 2 . . . . . 386 VAL HG2* . 26335 2 105 . 2 . 1 13 13 VAL HG23 H 1 0.826 0.04 . 2 . . . . . 386 VAL HG2* . 26335 2 106 . 2 . 1 13 13 VAL C C 13 173.25 0.4 . 1 . . . . . 386 VAL C . 26335 2 107 . 2 . 1 13 13 VAL CA C 13 62.26 0.4 . 1 . . . . . 386 VAL CA . 26335 2 108 . 2 . 1 13 13 VAL CB C 13 32.75 0.4 . 1 . . . . . 386 VAL CB . 26335 2 109 . 2 . 1 13 13 VAL CG1 C 13 20.41 0.4 . 2 . . . . . 386 VAL CG1 . 26335 2 110 . 2 . 1 13 13 VAL CG2 C 13 20.96 0.4 . 2 . . . . . 386 VAL CG2 . 26335 2 111 . 2 . 1 13 13 VAL N N 15 121.59 0.2 . 1 . . . . . 386 VAL N . 26335 2 112 . 2 . 1 14 14 LYS H H 1 8.308 0.04 . 1 . . . . . 387 LYS H . 26335 2 113 . 2 . 1 14 14 LYS HA H 1 4.200 0.04 . 1 . . . . . 387 LYS HA . 26335 2 114 . 2 . 1 14 14 LYS HB2 H 1 1.682 0.04 . 1 . . . . . 387 LYS HB2 . 26335 2 115 . 2 . 1 14 14 LYS HB3 H 1 1.682 0.04 . 1 . . . . . 387 LYS HB3 . 26335 2 116 . 2 . 1 14 14 LYS C C 13 173.42 0.4 . 1 . . . . . 387 LYS C . 26335 2 117 . 2 . 1 14 14 LYS CA C 13 56.41 0.4 . 1 . . . . . 387 LYS CA . 26335 2 118 . 2 . 1 14 14 LYS CB C 13 33.14 0.4 . 1 . . . . . 387 LYS CB . 26335 2 119 . 2 . 1 14 14 LYS N N 15 124.86 0.2 . 1 . . . . . 387 LYS N . 26335 2 120 . 2 . 1 15 15 ASN H H 1 8.404 0.04 . 1 . . . . . 388 ASN H . 26335 2 121 . 2 . 1 15 15 ASN HA H 1 4.612 0.04 . 1 . . . . . 388 ASN HA . 26335 2 122 . 2 . 1 15 15 ASN HB2 H 1 2.688 0.04 . 1 . . . . . 388 ASN HB2 . 26335 2 123 . 2 . 1 15 15 ASN HB3 H 1 2.688 0.04 . 1 . . . . . 388 ASN HB3 . 26335 2 124 . 2 . 1 15 15 ASN C C 13 172.48 0.4 . 1 . . . . . 388 ASN C . 26335 2 125 . 2 . 1 15 15 ASN CA C 13 53.28 0.4 . 1 . . . . . 388 ASN CA . 26335 2 126 . 2 . 1 15 15 ASN CB C 13 38.79 0.4 . 1 . . . . . 388 ASN CB . 26335 2 127 . 2 . 1 15 15 ASN N N 15 120.37 0.2 . 1 . . . . . 388 ASN N . 26335 2 128 . 2 . 1 16 16 VAL H H 1 8.051 0.04 . 1 . . . . . 389 VAL H . 26335 2 129 . 2 . 1 16 16 VAL HA H 1 4.020 0.04 . 1 . . . . . 389 VAL HA . 26335 2 130 . 2 . 1 16 16 VAL HB H 1 1.996 0.04 . 1 . . . . . 389 VAL HB . 26335 2 131 . 2 . 1 16 16 VAL HG11 H 1 0.827 0.04 . 2 . . . . . 389 VAL HG1* . 26335 2 132 . 2 . 1 16 16 VAL HG12 H 1 0.827 0.04 . 2 . . . . . 389 VAL HG1* . 26335 2 133 . 2 . 1 16 16 VAL HG13 H 1 0.827 0.04 . 2 . . . . . 389 VAL HG1* . 26335 2 134 . 2 . 1 16 16 VAL HG21 H 1 0.827 0.04 . 2 . . . . . 389 VAL HG2* . 26335 2 135 . 2 . 1 16 16 VAL HG22 H 1 0.827 0.04 . 2 . . . . . 389 VAL HG2* . 26335 2 136 . 2 . 1 16 16 VAL HG23 H 1 0.827 0.04 . 2 . . . . . 389 VAL HG2* . 26335 2 137 . 2 . 1 16 16 VAL C C 13 173.05 0.4 . 1 . . . . . 389 VAL C . 26335 2 138 . 2 . 1 16 16 VAL CA C 13 62.41 0.4 . 1 . . . . . 389 VAL CA . 26335 2 139 . 2 . 1 16 16 VAL CB C 13 32.64 0.4 . 1 . . . . . 389 VAL CB . 26335 2 140 . 2 . 1 16 16 VAL CG1 C 13 20.96 0.4 . 2 . . . . . 389 VAL CG1 . 26335 2 141 . 2 . 1 16 16 VAL CG2 C 13 20.41 0.4 . 2 . . . . . 389 VAL CG2 . 26335 2 142 . 2 . 1 16 16 VAL N N 15 120.19 0.2 . 1 . . . . . 389 VAL N . 26335 2 143 . 2 . 1 17 17 ASN H H 1 8.473 0.04 . 6 . . . . . 390 ASN H . 26335 2 144 . 2 . 1 17 17 ASN HA H 1 4.627 0.04 . 1 . . . . . 390 ASN HA . 26335 2 145 . 2 . 1 17 17 ASN HB2 H 1 2.702 0.04 . 2 . . . . . 390 ASN HB2 . 26335 2 146 . 2 . 1 17 17 ASN HB3 H 1 2.780 0.04 . 2 . . . . . 390 ASN HB3 . 26335 2 147 . 2 . 1 17 17 ASN C C 13 172.70 0.4 . 6 . . . . . 390 ASN C . 26335 2 148 . 2 . 1 17 17 ASN CA C 13 53.27 0.4 . 6 . . . . . 390 ASN CA . 26335 2 149 . 2 . 1 17 17 ASN CB C 13 38.74 0.4 . 6 . . . . . 390 ASN CB . 26335 2 150 . 2 . 1 17 17 ASN N N 15 121.92 0.2 . 6 . . . . . 390 ASN N . 26335 2 151 . 2 . 1 18 18 ARG H H 1 8.342 0.04 . 1 . . . . . 391 ARG H . 26335 2 152 . 2 . 1 18 18 ARG HA H 1 4.177 0.04 . 1 . . . . . 391 ARG HA . 26335 2 153 . 2 . 1 18 18 ARG HB2 H 1 1.648 0.04 . 2 . . . . . 391 ARG HB2 . 26335 2 154 . 2 . 1 18 18 ARG HB3 H 1 1.758 0.04 . 2 . . . . . 391 ARG HB3 . 26335 2 155 . 2 . 1 18 18 ARG C C 13 173.50 0.4 . 1 . . . . . 391 ARG C . 26335 2 156 . 2 . 1 18 18 ARG CA C 13 56.47 0.4 . 1 . . . . . 391 ARG CA . 26335 2 157 . 2 . 1 18 18 ARG CB C 13 30.41 0.4 . 1 . . . . . 391 ARG CB . 26335 2 158 . 2 . 1 18 18 ARG N N 15 122.23 0.2 . 1 . . . . . 391 ARG N . 26335 2 159 . 2 . 1 19 19 ASN H H 1 8.433 0.04 . 6 . . . . . 392 ASN H . 26335 2 160 . 2 . 1 19 19 ASN HA H 1 4.587 0.04 . 6 . . . . . 392 ASN HA . 26335 2 161 . 2 . 1 19 19 ASN HB2 H 1 2.730 0.04 . 6 . . . . . 392 ASN HB2 . 26335 2 162 . 2 . 1 19 19 ASN HB3 H 1 2.730 0.04 . 6 . . . . . 392 ASN HB3 . 26335 2 163 . 2 . 1 19 19 ASN C C 13 172.81 0.4 . 6 . . . . . 392 ASN C . 26335 2 164 . 2 . 1 19 19 ASN CA C 13 53.62 0.4 . 6 . . . . . 392 ASN CA . 26335 2 165 . 2 . 1 19 19 ASN CB C 13 38.63 0.4 . 6 . . . . . 392 ASN CB . 26335 2 166 . 2 . 1 19 19 ASN N N 15 118.88 0.2 . 6 . . . . . 392 ASN N . 26335 2 167 . 2 . 1 20 20 ALA H H 1 8.070 0.04 . 6 . . . . . 393 ALA H . 26335 2 168 . 2 . 1 20 20 ALA HA H 1 4.207 0.04 . 6 . . . . . 393 ALA HA . 26335 2 169 . 2 . 1 20 20 ALA HB1 H 1 1.311 0.04 . 6 . . . . . 393 ALA HB* . 26335 2 170 . 2 . 1 20 20 ALA HB2 H 1 1.311 0.04 . 6 . . . . . 393 ALA HB* . 26335 2 171 . 2 . 1 20 20 ALA HB3 H 1 1.311 0.04 . 6 . . . . . 393 ALA HB* . 26335 2 172 . 2 . 1 20 20 ALA C C 13 175.18 0.4 . 6 . . . . . 393 ALA C . 26335 2 173 . 2 . 1 20 20 ALA CA C 13 53.18 0.4 . 6 . . . . . 393 ALA CA . 26335 2 174 . 2 . 1 20 20 ALA CB C 13 19.14 0.4 . 6 . . . . . 393 ALA CB . 26335 2 175 . 2 . 1 20 20 ALA N N 15 123.75 0.2 . 6 . . . . . 393 ALA N . 26335 2 176 . 2 . 1 21 21 SER H H 1 8.069 0.04 . 6 . . . . . 394 SER H . 26335 2 177 . 2 . 1 21 21 SER HA H 1 4.315 0.04 . 6 . . . . . 394 SER HA . 26335 2 178 . 2 . 1 21 21 SER HB2 H 1 3.724 0.04 . 6 . . . . . 394 SER HB2 . 26335 2 179 . 2 . 1 21 21 SER HB3 H 1 3.724 0.04 . 6 . . . . . 394 SER HB3 . 26335 2 180 . 2 . 1 21 21 SER C C 13 171.57 0.4 . 6 . . . . . 394 SER C . 26335 2 181 . 2 . 1 21 21 SER CA C 13 58.51 0.4 . 6 . . . . . 394 SER CA . 26335 2 182 . 2 . 1 21 21 SER CB C 13 63.69 0.4 . 6 . . . . . 394 SER CB . 26335 2 183 . 2 . 1 21 21 SER N N 15 113.80 0.2 . 6 . . . . . 394 SER N . 26335 2 184 . 2 . 1 22 22 ARG H H 1 7.795 0.04 . 6 . . . . . 395 ARG H . 26335 2 185 . 2 . 1 22 22 ARG HA H 1 4.021 0.04 . 1 . . . . . 395 ARG HA . 26335 2 186 . 2 . 1 22 22 ARG HB2 H 1 1.001 0.04 . 1 . . . . . 395 ARG HB2 . 26335 2 187 . 2 . 1 22 22 ARG HB3 H 1 1.001 0.04 . 1 . . . . . 395 ARG HB3 . 26335 2 188 . 2 . 1 22 22 ARG C C 13 172.29 0.4 . 6 . . . . . 395 ARG C . 26335 2 189 . 2 . 1 22 22 ARG CA C 13 56.05 0.4 . 6 . . . . . 395 ARG CA . 26335 2 190 . 2 . 1 22 22 ARG CB C 13 30.37 0.4 . 6 . . . . . 395 ARG CB . 26335 2 191 . 2 . 1 22 22 ARG N N 15 122.88 0.2 . 6 . . . . . 395 ARG N . 26335 2 192 . 2 . 1 23 23 LYS H H 1 8.038 0.04 . 1 . . . . . 396 LYS H . 26335 2 193 . 2 . 1 23 23 LYS HA H 1 4.230 0.04 . 1 . . . . . 396 LYS HA . 26335 2 194 . 2 . 1 23 23 LYS HB2 H 1 1.777 0.04 . 1 . . . . . 396 LYS HB2 . 26335 2 195 . 2 . 1 23 23 LYS HB3 H 1 1.777 0.04 . 1 . . . . . 396 LYS HB3 . 26335 2 196 . 2 . 1 23 23 LYS C C 13 173.95 0.4 . 1 . . . . . 396 LYS C . 26335 2 197 . 2 . 1 23 23 LYS CA C 13 56.79 0.4 . 1 . . . . . 396 LYS CA . 26335 2 198 . 2 . 1 23 23 LYS CB C 13 33.46 0.4 . 1 . . . . . 396 LYS CB . 26335 2 199 . 2 . 1 23 23 LYS N N 15 122.89 0.2 . 1 . . . . . 396 LYS N . 26335 2 200 . 2 . 1 24 24 ILE H H 1 8.691 0.04 . 1 . . . . . 397 ILE H . 26335 2 201 . 2 . 1 24 24 ILE HA H 1 4.275 0.04 . 1 . . . . . 397 ILE HA . 26335 2 202 . 2 . 1 24 24 ILE HB H 1 1.855 0.04 . 1 . . . . . 397 ILE HB . 26335 2 203 . 2 . 1 24 24 ILE HD11 H 1 0.751 0.04 . 1 . . . . . 397 ILE HD1* . 26335 2 204 . 2 . 1 24 24 ILE HD12 H 1 0.751 0.04 . 1 . . . . . 397 ILE HD1* . 26335 2 205 . 2 . 1 24 24 ILE HD13 H 1 0.751 0.04 . 1 . . . . . 397 ILE HD1* . 26335 2 206 . 2 . 1 24 24 ILE HG12 H 1 1.053 0.04 . 1 . . . . . 397 ILE HG12 . 26335 2 207 . 2 . 1 24 24 ILE HG13 H 1 1.053 0.04 . 1 . . . . . 397 ILE HG13 . 26335 2 208 . 2 . 1 24 24 ILE HG21 H 1 0.906 0.04 . 1 . . . . . 397 ILE HG2* . 26335 2 209 . 2 . 1 24 24 ILE HG22 H 1 0.906 0.04 . 1 . . . . . 397 ILE HG2* . 26335 2 210 . 2 . 1 24 24 ILE HG23 H 1 0.906 0.04 . 1 . . . . . 397 ILE HG2* . 26335 2 211 . 2 . 1 24 24 ILE C C 13 172.05 0.4 . 1 . . . . . 397 ILE C . 26335 2 212 . 2 . 1 24 24 ILE CA C 13 61.62 0.4 . 1 . . . . . 397 ILE CA . 26335 2 213 . 2 . 1 24 24 ILE CB C 13 39.45 0.4 . 1 . . . . . 397 ILE CB . 26335 2 214 . 2 . 1 24 24 ILE CD1 C 13 14.53 0.4 . 1 . . . . . 397 ILE CD1 . 26335 2 215 . 2 . 1 24 24 ILE CG1 C 13 27.83 0.4 . 1 . . . . . 397 ILE CG1 . 26335 2 216 . 2 . 1 24 24 ILE CG2 C 13 18.80 0.4 . 1 . . . . . 397 ILE CG2 . 26335 2 217 . 2 . 1 24 24 ILE N N 15 123.23 0.2 . 1 . . . . . 397 ILE N . 26335 2 218 . 2 . 1 25 25 SER H H 1 7.495 0.04 . 1 . . . . . 398 SER H . 26335 2 219 . 2 . 1 25 25 SER CA C 13 55.95 0.4 . 1 . . . . . 398 SER CA . 26335 2 220 . 2 . 1 25 25 SER CB C 13 64.57 0.4 . 1 . . . . . 398 SER CB . 26335 2 221 . 2 . 1 25 25 SER N N 15 119.98 0.2 . 1 . . . . . 398 SER N . 26335 2 222 . 2 . 1 26 26 LYS HA H 1 3.865 0.04 . 1 . . . . . 399 LYS HA . 26335 2 223 . 2 . 1 26 26 LYS C C 13 175.63 0.4 . 1 . . . . . 399 LYS C . 26335 2 224 . 2 . 1 26 26 LYS CA C 13 60.52 0.4 . 1 . . . . . 399 LYS CA . 26335 2 225 . 2 . 1 26 26 LYS CB C 13 32.030 0.4 . 1 . . . . . 399 LYS CB . 26335 2 226 . 2 . 1 27 27 ARG H H 1 8.387 0.04 . 1 . . . . . 400 ARG H . 26335 2 227 . 2 . 1 27 27 ARG HA H 1 3.797 0.04 . 1 . . . . . 400 ARG HA . 26335 2 228 . 2 . 1 27 27 ARG HB2 H 1 1.603 0.04 . 2 . . . . . 400 ARG HB2 . 26335 2 229 . 2 . 1 27 27 ARG HB3 H 1 1.808 0.04 . 2 . . . . . 400 ARG HB3 . 26335 2 230 . 2 . 1 27 27 ARG C C 13 175.78 0.4 . 1 . . . . . 400 ARG C . 26335 2 231 . 2 . 1 27 27 ARG CA C 13 59.44 0.4 . 1 . . . . . 400 ARG CA . 26335 2 232 . 2 . 1 27 27 ARG CB C 13 29.91 0.4 . 1 . . . . . 400 ARG CB . 26335 2 233 . 2 . 1 27 27 ARG N N 15 118.77 0.2 . 1 . . . . . 400 ARG N . 26335 2 234 . 2 . 1 28 28 LEU H H 1 7.521 0.04 . 6 . . . . . 401 LEU H . 26335 2 235 . 2 . 1 28 28 LEU HA H 1 3.861 0.04 . 1 . . . . . 401 LEU HA . 26335 2 236 . 2 . 1 28 28 LEU HB2 H 1 1.446 0.04 . 2 . . . . . 401 LEU HB2 . 26335 2 237 . 2 . 1 28 28 LEU HB3 H 1 1.580 0.04 . 2 . . . . . 401 LEU HB3 . 26335 2 238 . 2 . 1 28 28 LEU HD11 H 1 0.629 0.04 . 2 . . . . . 401 LEU HD1* . 26335 2 239 . 2 . 1 28 28 LEU HD12 H 1 0.629 0.04 . 2 . . . . . 401 LEU HD1* . 26335 2 240 . 2 . 1 28 28 LEU HD13 H 1 0.629 0.04 . 2 . . . . . 401 LEU HD1* . 26335 2 241 . 2 . 1 28 28 LEU HD21 H 1 0.784 0.04 . 2 . . . . . 401 LEU HD2* . 26335 2 242 . 2 . 1 28 28 LEU HD22 H 1 0.784 0.04 . 2 . . . . . 401 LEU HD2* . 26335 2 243 . 2 . 1 28 28 LEU HD23 H 1 0.784 0.04 . 2 . . . . . 401 LEU HD2* . 26335 2 244 . 2 . 1 28 28 LEU HG H 1 1.245 0.04 . 1 . . . . . 401 LEU HG . 26335 2 245 . 2 . 1 28 28 LEU C C 13 175.89 0.4 . 6 . . . . . 401 LEU C . 26335 2 246 . 2 . 1 28 28 LEU CA C 13 57.85 0.4 . 6 . . . . . 401 LEU CA . 26335 2 247 . 2 . 1 28 28 LEU CB C 13 42.00 0.4 . 6 . . . . . 401 LEU CB . 26335 2 248 . 2 . 1 28 28 LEU CD1 C 13 24.36 0.4 . 2 . . . . . 401 LEU CD1 . 26335 2 249 . 2 . 1 28 28 LEU CD2 C 13 24.43 0.4 . 2 . . . . . 401 LEU CD2 . 26335 2 250 . 2 . 1 28 28 LEU CG C 13 27.00 0.4 . 1 . . . . . 401 LEU CG . 26335 2 251 . 2 . 1 28 28 LEU N N 15 121.17 0.2 . 6 . . . . . 401 LEU N . 26335 2 252 . 2 . 1 29 29 ILE H H 1 7.705 0.04 . 6 . . . . . 402 ILE H . 26335 2 253 . 2 . 1 29 29 ILE HA H 1 3.215 0.04 . 6 . . . . . 402 ILE HA . 26335 2 254 . 2 . 1 29 29 ILE HB H 1 1.897 0.04 . 6 . . . . . 402 ILE HB . 26335 2 255 . 2 . 1 29 29 ILE HD11 H 1 0.949 0.04 . 1 . . . . . 402 ILE HD1* . 26335 2 256 . 2 . 1 29 29 ILE HD12 H 1 0.949 0.04 . 1 . . . . . 402 ILE HD1* . 26335 2 257 . 2 . 1 29 29 ILE HD13 H 1 0.949 0.04 . 1 . . . . . 402 ILE HD1* . 26335 2 258 . 2 . 1 29 29 ILE HG21 H 1 0.940 0.04 . 6 . . . . . 402 ILE HG2* . 26335 2 259 . 2 . 1 29 29 ILE HG22 H 1 0.940 0.04 . 6 . . . . . 402 ILE HG2* . 26335 2 260 . 2 . 1 29 29 ILE HG23 H 1 0.940 0.04 . 6 . . . . . 402 ILE HG2* . 26335 2 261 . 2 . 1 29 29 ILE C C 13 174.44 0.4 . 1 . . . . . 402 ILE C . 26335 2 262 . 2 . 1 29 29 ILE CA C 13 66.31 0.4 . 6 . . . . . 402 ILE CA . 26335 2 263 . 2 . 1 29 29 ILE CB C 13 38.08 0.4 . 6 . . . . . 402 ILE CB . 26335 2 264 . 2 . 1 29 29 ILE CD1 C 13 14.31 0.4 . 1 . . . . . 402 ILE CD1 . 26335 2 265 . 2 . 1 29 29 ILE CG1 C 13 30.34 0.4 . 6 . . . . . 402 ILE CG1 . 26335 2 266 . 2 . 1 29 29 ILE CG2 C 13 17.76 0.4 . 6 . . . . . 402 ILE CG2 . 26335 2 267 . 2 . 1 29 29 ILE N N 15 117.67 0.2 . 6 . . . . . 402 ILE N . 26335 2 268 . 2 . 1 30 30 LYS H H 1 7.962 0.04 . 6 . . . . . 403 LYS H . 26335 2 269 . 2 . 1 30 30 LYS HA H 1 3.723 0.04 . 6 . . . . . 403 LYS HA . 26335 2 270 . 2 . 1 30 30 LYS HB2 H 1 1.754 0.04 . 6 . . . . . 403 LYS HB2 . 26335 2 271 . 2 . 1 30 30 LYS HB3 H 1 1.754 0.04 . 6 . . . . . 403 LYS HB3 . 26335 2 272 . 2 . 1 30 30 LYS C C 13 176.22 0.4 . 6 . . . . . 403 LYS C . 26335 2 273 . 2 . 1 30 30 LYS CA C 13 60.36 0.4 . 6 . . . . . 403 LYS CA . 26335 2 274 . 2 . 1 30 30 LYS CB C 13 32.36 0.4 . 6 . . . . . 403 LYS CB . 26335 2 275 . 2 . 1 30 30 LYS N N 15 116.49 0.2 . 6 . . . . . 403 LYS N . 26335 2 276 . 2 . 1 31 31 GLU H H 1 7.646 0.04 . 6 . . . . . 404 GLU H . 26335 2 277 . 2 . 1 31 31 GLU HA H 1 3.756 0.04 . 6 . . . . . 404 GLU HA . 26335 2 278 . 2 . 1 31 31 GLU HB2 H 1 1.922 0.04 . 6 . . . . . 404 GLU HB2 . 26335 2 279 . 2 . 1 31 31 GLU HB3 H 1 1.922 0.04 . 6 . . . . . 404 GLU HB3 . 26335 2 280 . 2 . 1 31 31 GLU C C 13 176.94 0.4 . 6 . . . . . 404 GLU C . 26335 2 281 . 2 . 1 31 31 GLU CA C 13 59.15 0.4 . 6 . . . . . 404 GLU CA . 26335 2 282 . 2 . 1 31 31 GLU CB C 13 29.50 0.4 . 6 . . . . . 404 GLU CB . 26335 2 283 . 2 . 1 31 31 GLU N N 15 116.92 0.2 . 6 . . . . . 404 GLU N . 26335 2 284 . 2 . 1 32 32 LYS H H 1 7.725 0.04 . 6 . . . . . 405 LYS H . 26335 2 285 . 2 . 1 32 32 LYS HA H 1 3.571 0.04 . 6 . . . . . 405 LYS HA . 26335 2 286 . 2 . 1 32 32 LYS HB2 H 1 0.561 0.04 . 6 . . . . . 405 LYS HB2 . 26335 2 287 . 2 . 1 32 32 LYS HB3 H 1 1.330 0.04 . 6 . . . . . 405 LYS HB3 . 26335 2 288 . 2 . 1 32 32 LYS C C 13 175.28 0.4 . 6 . . . . . 405 LYS C . 26335 2 289 . 2 . 1 32 32 LYS CA C 13 58.39 0.4 . 6 . . . . . 405 LYS CA . 26335 2 290 . 2 . 1 32 32 LYS CB C 13 30.38 0.4 . 6 . . . . . 405 LYS CB . 26335 2 291 . 2 . 1 32 32 LYS N N 15 119.28 0.2 . 6 . . . . . 405 LYS N . 26335 2 292 . 2 . 1 33 33 LEU H H 1 7.474 0.04 . 6 . . . . . 406 LEU H . 26335 2 293 . 2 . 1 33 33 LEU HA H 1 3.892 0.04 . 6 . . . . . 406 LEU HA . 26335 2 294 . 2 . 1 33 33 LEU HB2 H 1 1.182 0.04 . 6 . . . . . 406 LEU HB2 . 26335 2 295 . 2 . 1 33 33 LEU HB3 H 1 1.564 0.04 . 6 . . . . . 406 LEU HB3 . 26335 2 296 . 2 . 1 33 33 LEU HD11 H 1 0.586 0.04 . 2 . . . . . 406 LEU HD1* . 26335 2 297 . 2 . 1 33 33 LEU HD12 H 1 0.586 0.04 . 2 . . . . . 406 LEU HD1* . 26335 2 298 . 2 . 1 33 33 LEU HD13 H 1 0.586 0.04 . 2 . . . . . 406 LEU HD1* . 26335 2 299 . 2 . 1 33 33 LEU HD21 H 1 0.252 0.04 . 2 . . . . . 406 LEU HD2* . 26335 2 300 . 2 . 1 33 33 LEU HD22 H 1 0.252 0.04 . 2 . . . . . 406 LEU HD2* . 26335 2 301 . 2 . 1 33 33 LEU HD23 H 1 0.252 0.04 . 2 . . . . . 406 LEU HD2* . 26335 2 302 . 2 . 1 33 33 LEU C C 13 174.51 0.4 . 6 . . . . . 406 LEU C . 26335 2 303 . 2 . 1 33 33 LEU CA C 13 56.51 0.4 . 6 . . . . . 406 LEU CA . 26335 2 304 . 2 . 1 33 33 LEU CB C 13 41.30 0.4 . 6 . . . . . 406 LEU CB . 26335 2 305 . 2 . 1 33 33 LEU CD1 C 13 26.23 0.4 . 2 . . . . . 406 LEU CD1 . 26335 2 306 . 2 . 1 33 33 LEU CD2 C 13 22.15 0.4 . 2 . . . . . 406 LEU CD2 . 26335 2 307 . 2 . 1 33 33 LEU N N 15 113.18 0.2 . 6 . . . . . 406 LEU N . 26335 2 308 . 2 . 1 34 34 LYS H H 1 6.945 0.04 . 6 . . . . . 407 LYS H . 26335 2 309 . 2 . 1 34 34 LYS HA H 1 4.162 0.04 . 6 . . . . . 407 LYS HA . 26335 2 310 . 2 . 1 34 34 LYS HB2 H 1 1.730 0.04 . 6 . . . . . 407 LYS HB2 . 26335 2 311 . 2 . 1 34 34 LYS HB3 H 1 1.829 0.04 . 6 . . . . . 407 LYS HB3 . 26335 2 312 . 2 . 1 34 34 LYS C C 13 172.75 0.4 . 6 . . . . . 407 LYS C . 26335 2 313 . 2 . 1 34 34 LYS CA C 13 55.77 0.4 . 6 . . . . . 407 LYS CA . 26335 2 314 . 2 . 1 34 34 LYS CB C 13 32.97 0.4 . 6 . . . . . 407 LYS CB . 26335 2 315 . 2 . 1 34 34 LYS N N 15 113.83 0.2 . 6 . . . . . 407 LYS N . 26335 2 316 . 2 . 1 35 35 ASP H H 1 7.393 0.04 . 6 . . . . . 408 ASP H . 26335 2 317 . 2 . 1 35 35 ASP HA H 1 4.629 0.04 . 6 . . . . . 408 ASP HA . 26335 2 318 . 2 . 1 35 35 ASP HB2 H 1 2.483 0.04 . 6 . . . . . 408 ASP HB2 . 26335 2 319 . 2 . 1 35 35 ASP HB3 H 1 3.436 0.04 . 6 . . . . . 408 ASP HB3 . 26335 2 320 . 2 . 1 35 35 ASP C C 13 172.89 0.4 . 6 . . . . . 408 ASP C . 26335 2 321 . 2 . 1 35 35 ASP CA C 13 53.12 0.4 . 6 . . . . . 408 ASP CA . 26335 2 322 . 2 . 1 35 35 ASP CB C 13 41.46 0.4 . 6 . . . . . 408 ASP CB . 26335 2 323 . 2 . 1 35 35 ASP N N 15 122.16 0.2 . 6 . . . . . 408 ASP N . 26335 2 324 . 2 . 1 36 36 GLU H H 1 8.710 0.04 . 6 . . . . . 409 GLU H . 26335 2 325 . 2 . 1 36 36 GLU HA H 1 3.908 0.04 . 6 . . . . . 409 GLU HA . 26335 2 326 . 2 . 1 36 36 GLU HB2 H 1 2.035 0.04 . 6 . . . . . 409 GLU HB2 . 26335 2 327 . 2 . 1 36 36 GLU HB3 H 1 2.035 0.04 . 6 . . . . . 409 GLU HB3 . 26335 2 328 . 2 . 1 36 36 GLU C C 13 176.62 0.4 . 6 . . . . . 409 GLU C . 26335 2 329 . 2 . 1 36 36 GLU CA C 13 59.68 0.4 . 6 . . . . . 409 GLU CA . 26335 2 330 . 2 . 1 36 36 GLU CB C 13 29.68 0.4 . 6 . . . . . 409 GLU CB . 26335 2 331 . 2 . 1 36 36 GLU N N 15 125.48 0.2 . 6 . . . . . 409 GLU N . 26335 2 332 . 2 . 1 37 37 GLU H H 1 8.183 0.04 . 6 . . . . . 410 GLU H . 26335 2 333 . 2 . 1 37 37 GLU HA H 1 4.019 0.04 . 1 . . . . . 410 GLU HA . 26335 2 334 . 2 . 1 37 37 GLU HB2 H 1 2.125 0.04 . 1 . . . . . 410 GLU HB2 . 26335 2 335 . 2 . 1 37 37 GLU HB3 H 1 2.125 0.04 . 1 . . . . . 410 GLU HB3 . 26335 2 336 . 2 . 1 37 37 GLU C C 13 176.69 0.4 . 1 . . . . . 410 GLU C . 26335 2 337 . 2 . 1 37 37 GLU CA C 13 59.02 0.4 . 6 . . . . . 410 GLU CA . 26335 2 338 . 2 . 1 37 37 GLU CB C 13 29.12 0.4 . 6 . . . . . 410 GLU CB . 26335 2 339 . 2 . 1 37 37 GLU N N 15 119.35 0.2 . 6 . . . . . 410 GLU N . 26335 2 340 . 2 . 1 38 38 PHE H H 1 7.957 0.04 . 1 . . . . . 411 PHE H . 26335 2 341 . 2 . 1 38 38 PHE HD1 H 1 7.059 0.04 . 1 . . . . . 411 PHE HD1 . 26335 2 342 . 2 . 1 38 38 PHE HD2 H 1 7.059 0.04 . 1 . . . . . 411 PHE HD2 . 26335 2 343 . 2 . 1 38 38 PHE C C 13 174.29 0.4 . 1 . . . . . 411 PHE C . 26335 2 344 . 2 . 1 38 38 PHE CA C 13 62.080 0.4 . 1 . . . . . 411 PHE CA . 26335 2 345 . 2 . 1 38 38 PHE CB C 13 38.710 0.4 . 1 . . . . . 411 PHE CB . 26335 2 346 . 2 . 1 38 38 PHE CD1 C 13 132.42 0.4 . 1 . . . . . 411 PHE CD1 . 26335 2 347 . 2 . 1 38 38 PHE CD2 C 13 132.42 0.4 . 1 . . . . . 411 PHE CD2 . 26335 2 348 . 2 . 1 38 38 PHE N N 15 124.27 0.2 . 1 . . . . . 411 PHE N . 26335 2 349 . 2 . 1 39 39 ILE H H 1 8.223 0.04 . 1 . . . . . 412 ILE H . 26335 2 350 . 2 . 1 39 39 ILE HA H 1 3.533 0.04 . 1 . . . . . 412 ILE HA . 26335 2 351 . 2 . 1 39 39 ILE HB H 1 2.058 0.04 . 1 . . . . . 412 ILE HB . 26335 2 352 . 2 . 1 39 39 ILE HD11 H 1 0.811 0.04 . 1 . . . . . 412 ILE HD1* . 26335 2 353 . 2 . 1 39 39 ILE HD12 H 1 0.811 0.04 . 1 . . . . . 412 ILE HD1* . 26335 2 354 . 2 . 1 39 39 ILE HD13 H 1 0.811 0.04 . 1 . . . . . 412 ILE HD1* . 26335 2 355 . 2 . 1 39 39 ILE HG12 H 1 1.492 0.04 . 2 . . . . . 412 ILE HG12 . 26335 2 356 . 2 . 1 39 39 ILE HG13 H 1 1.803 0.04 . 2 . . . . . 412 ILE HG13 . 26335 2 357 . 2 . 1 39 39 ILE HG21 H 1 0.857 0.04 . 1 . . . . . 412 ILE HG2* . 26335 2 358 . 2 . 1 39 39 ILE HG22 H 1 0.857 0.04 . 1 . . . . . 412 ILE HG2* . 26335 2 359 . 2 . 1 39 39 ILE HG23 H 1 0.857 0.04 . 1 . . . . . 412 ILE HG2* . 26335 2 360 . 2 . 1 39 39 ILE C C 13 175.78 0.4 . 1 . . . . . 412 ILE C . 26335 2 361 . 2 . 1 39 39 ILE CA C 13 62.38 0.4 . 1 . . . . . 412 ILE CA . 26335 2 362 . 2 . 1 39 39 ILE CB C 13 36.09 0.4 . 1 . . . . . 412 ILE CB . 26335 2 363 . 2 . 1 39 39 ILE CD1 C 13 9.71 0.4 . 1 . . . . . 412 ILE CD1 . 26335 2 364 . 2 . 1 39 39 ILE CG1 C 13 27.01 0.4 . 1 . . . . . 412 ILE CG1 . 26335 2 365 . 2 . 1 39 39 ILE CG2 C 13 17.38 0.4 . 1 . . . . . 412 ILE CG2 . 26335 2 366 . 2 . 1 39 39 ILE N N 15 118.94 0.2 . 1 . . . . . 412 ILE N . 26335 2 367 . 2 . 1 40 40 LYS H H 1 7.969 0.04 . 1 . . . . . 413 LYS H . 26335 2 368 . 2 . 1 40 40 LYS HA H 1 3.892 0.04 . 1 . . . . . 413 LYS HA . 26335 2 369 . 2 . 1 40 40 LYS C C 13 176.62 0.4 . 1 . . . . . 413 LYS C . 26335 2 370 . 2 . 1 40 40 LYS CA C 13 60.15 0.4 . 1 . . . . . 413 LYS CA . 26335 2 371 . 2 . 1 40 40 LYS CB C 13 32.78 0.4 . 1 . . . . . 413 LYS CB . 26335 2 372 . 2 . 1 40 40 LYS N N 15 119.21 0.2 . 1 . . . . . 413 LYS N . 26335 2 373 . 2 . 1 41 41 TRP H H 1 8.368 0.04 . 1 . . . . . 414 TRP H . 26335 2 374 . 2 . 1 41 41 TRP CA C 13 61.78 0.4 . 1 . . . . . 414 TRP CA . 26335 2 375 . 2 . 1 41 41 TRP CB C 13 26.79 0.4 . 1 . . . . . 414 TRP CB . 26335 2 376 . 2 . 1 41 41 TRP N N 15 122.62 0.2 . 1 . . . . . 414 TRP N . 26335 2 377 . 2 . 1 45 45 VAL H H 1 8.355 0.04 . 1 . . . . . 418 VAL H . 26335 2 378 . 2 . 1 45 45 VAL HA H 1 3.122 0.04 . 1 . . . . . 418 VAL HA . 26335 2 379 . 2 . 1 45 45 VAL HB H 1 1.487 0.04 . 1 . . . . . 418 VAL HB . 26335 2 380 . 2 . 1 45 45 VAL HG11 H 1 -0.209 0.04 . 2 . . . . . 418 VAL HG1* . 26335 2 381 . 2 . 1 45 45 VAL HG12 H 1 -0.209 0.04 . 2 . . . . . 418 VAL HG1* . 26335 2 382 . 2 . 1 45 45 VAL HG13 H 1 -0.209 0.04 . 2 . . . . . 418 VAL HG1* . 26335 2 383 . 2 . 1 45 45 VAL HG21 H 1 0.554 0.04 . 2 . . . . . 418 VAL HG2* . 26335 2 384 . 2 . 1 45 45 VAL HG22 H 1 0.554 0.04 . 2 . . . . . 418 VAL HG2* . 26335 2 385 . 2 . 1 45 45 VAL HG23 H 1 0.554 0.04 . 2 . . . . . 418 VAL HG2* . 26335 2 386 . 2 . 1 45 45 VAL C C 13 175.00 0.4 . 1 . . . . . 418 VAL C . 26335 2 387 . 2 . 1 45 45 VAL CA C 13 67.37 0.4 . 1 . . . . . 418 VAL CA . 26335 2 388 . 2 . 1 45 45 VAL CB C 13 30.53 0.4 . 1 . . . . . 418 VAL CB . 26335 2 389 . 2 . 1 45 45 VAL CG1 C 13 21.95 0.4 . 2 . . . . . 418 VAL CG1 . 26335 2 390 . 2 . 1 45 45 VAL CG2 C 13 21.71 0.4 . 2 . . . . . 418 VAL CG2 . 26335 2 391 . 2 . 1 45 45 VAL N N 15 122.58 0.2 . 1 . . . . . 418 VAL N . 26335 2 392 . 2 . 1 46 46 GLU H H 1 8.627 0.04 . 1 . . . . . 419 GLU H . 26335 2 393 . 2 . 1 46 46 GLU HA H 1 3.575 0.04 . 1 . . . . . 419 GLU HA . 26335 2 394 . 2 . 1 46 46 GLU HB2 H 1 1.891 0.04 . 2 . . . . . 419 GLU HB2 . 26335 2 395 . 2 . 1 46 46 GLU HB3 H 1 1.992 0.04 . 2 . . . . . 419 GLU HB3 . 26335 2 396 . 2 . 1 46 46 GLU C C 13 175.23 0.4 . 1 . . . . . 419 GLU C . 26335 2 397 . 2 . 1 46 46 GLU CA C 13 60.96 0.4 . 1 . . . . . 419 GLU CA . 26335 2 398 . 2 . 1 46 46 GLU CB C 13 28.94 0.4 . 1 . . . . . 419 GLU CB . 26335 2 399 . 2 . 1 46 46 GLU N N 15 120.65 0.2 . 1 . . . . . 419 GLU N . 26335 2 400 . 2 . 1 47 47 THR H H 1 7.755 0.04 . 1 . . . . . 420 THR H . 26335 2 401 . 2 . 1 47 47 THR HA H 1 3.950 0.04 . 1 . . . . . 420 THR HA . 26335 2 402 . 2 . 1 47 47 THR HB H 1 4.275 0.04 . 1 . . . . . 420 THR HB . 26335 2 403 . 2 . 1 47 47 THR C C 13 174.11 0.4 . 1 . . . . . 420 THR C . 26335 2 404 . 2 . 1 47 47 THR CA C 13 66.85 0.4 . 1 . . . . . 420 THR CA . 26335 2 405 . 2 . 1 47 47 THR CB C 13 68.82 0.4 . 1 . . . . . 420 THR CB . 26335 2 406 . 2 . 1 47 47 THR N N 15 114.51 0.2 . 1 . . . . . 420 THR N . 26335 2 407 . 2 . 1 48 48 VAL H H 1 7.667 0.04 . 1 . . . . . 421 VAL H . 26335 2 408 . 2 . 1 48 48 VAL HA H 1 3.554 0.04 . 1 . . . . . 421 VAL HA . 26335 2 409 . 2 . 1 48 48 VAL HB H 1 2.102 0.04 . 1 . . . . . 421 VAL HB . 26335 2 410 . 2 . 1 48 48 VAL HG11 H 1 0.821 0.04 . 2 . . . . . 421 VAL HG1* . 26335 2 411 . 2 . 1 48 48 VAL HG12 H 1 0.821 0.04 . 2 . . . . . 421 VAL HG1* . 26335 2 412 . 2 . 1 48 48 VAL HG13 H 1 0.821 0.04 . 2 . . . . . 421 VAL HG1* . 26335 2 413 . 2 . 1 48 48 VAL HG21 H 1 0.974 0.04 . 2 . . . . . 421 VAL HG2* . 26335 2 414 . 2 . 1 48 48 VAL HG22 H 1 0.974 0.04 . 2 . . . . . 421 VAL HG2* . 26335 2 415 . 2 . 1 48 48 VAL HG23 H 1 0.974 0.04 . 2 . . . . . 421 VAL HG2* . 26335 2 416 . 2 . 1 48 48 VAL C C 13 175.74 0.4 . 1 . . . . . 421 VAL C . 26335 2 417 . 2 . 1 48 48 VAL CA C 13 66.85 0.4 . 1 . . . . . 421 VAL CA . 26335 2 418 . 2 . 1 48 48 VAL CB C 13 31.54 0.4 . 1 . . . . . 421 VAL CB . 26335 2 419 . 2 . 1 48 48 VAL CG1 C 13 21.66 0.4 . 2 . . . . . 421 VAL CG1 . 26335 2 420 . 2 . 1 48 48 VAL CG2 C 13 23.04 0.4 . 2 . . . . . 421 VAL CG2 . 26335 2 421 . 2 . 1 48 48 VAL N N 15 123.66 0.2 . 1 . . . . . 421 VAL N . 26335 2 422 . 2 . 1 49 49 LEU H H 1 8.857 0.04 . 1 . . . . . 422 LEU H . 26335 2 423 . 2 . 1 49 49 LEU HA H 1 4.149 0.04 . 1 . . . . . 422 LEU HA . 26335 2 424 . 2 . 1 49 49 LEU HB2 H 1 1.835 0.04 . 1 . . . . . 422 LEU HB2 . 26335 2 425 . 2 . 1 49 49 LEU HB3 H 1 1.835 0.04 . 1 . . . . . 422 LEU HB3 . 26335 2 426 . 2 . 1 49 49 LEU HD11 H 1 0.997 0.04 . 2 . . . . . 422 LEU HD1* . 26335 2 427 . 2 . 1 49 49 LEU HD12 H 1 0.997 0.04 . 2 . . . . . 422 LEU HD1* . 26335 2 428 . 2 . 1 49 49 LEU HD13 H 1 0.997 0.04 . 2 . . . . . 422 LEU HD1* . 26335 2 429 . 2 . 1 49 49 LEU HD21 H 1 1.037 0.04 . 2 . . . . . 422 LEU HD2* . 26335 2 430 . 2 . 1 49 49 LEU HD22 H 1 1.037 0.04 . 2 . . . . . 422 LEU HD2* . 26335 2 431 . 2 . 1 49 49 LEU HD23 H 1 1.037 0.04 . 2 . . . . . 422 LEU HD2* . 26335 2 432 . 2 . 1 49 49 LEU C C 13 175.72 0.4 . 1 . . . . . 422 LEU C . 26335 2 433 . 2 . 1 49 49 LEU CA C 13 58.15 0.4 . 1 . . . . . 422 LEU CA . 26335 2 434 . 2 . 1 49 49 LEU CB C 13 43.19 0.4 . 1 . . . . . 422 LEU CB . 26335 2 435 . 2 . 1 49 49 LEU CD1 C 13 25.40 0.4 . 2 . . . . . 422 LEU CD1 . 26335 2 436 . 2 . 1 49 49 LEU CD2 C 13 26.06 0.4 . 2 . . . . . 422 LEU CD2 . 26335 2 437 . 2 . 1 49 49 LEU N N 15 121.98 0.2 . 1 . . . . . 422 LEU N . 26335 2 438 . 2 . 1 50 50 ASN H H 1 8.287 0.04 . 6 . . . . . 423 ASN H . 26335 2 439 . 2 . 1 50 50 ASN HA H 1 4.317 0.04 . 6 . . . . . 423 ASN HA . 26335 2 440 . 2 . 1 50 50 ASN HB2 H 1 2.703 0.04 . 6 . . . . . 423 ASN HB2 . 26335 2 441 . 2 . 1 50 50 ASN HB3 H 1 2.802 0.04 . 6 . . . . . 423 ASN HB3 . 26335 2 442 . 2 . 1 50 50 ASN HD21 H 1 7.516 0.04 . 2 . . . . . 423 ASN HD21 . 26335 2 443 . 2 . 1 50 50 ASN HD22 H 1 6.764 0.04 . 2 . . . . . 423 ASN HD22 . 26335 2 444 . 2 . 1 50 50 ASN C C 13 174.79 0.4 . 6 . . . . . 423 ASN C . 26335 2 445 . 2 . 1 50 50 ASN CA C 13 56.03 0.4 . 6 . . . . . 423 ASN CA . 26335 2 446 . 2 . 1 50 50 ASN CB C 13 38.31 0.4 . 6 . . . . . 423 ASN CB . 26335 2 447 . 2 . 1 50 50 ASN N N 15 115.94 0.2 . 6 . . . . . 423 ASN N . 26335 2 448 . 2 . 1 50 50 ASN ND2 N 15 112.47 0.2 . 1 . . . . . 423 ASN ND2 . 26335 2 449 . 2 . 1 51 51 LYS H H 1 7.288 0.04 . 6 . . . . . 424 LYS H . 26335 2 450 . 2 . 1 51 51 LYS HA H 1 4.209 0.04 . 6 . . . . . 424 LYS HA . 26335 2 451 . 2 . 1 51 51 LYS HB2 H 1 1.817 0.04 . 6 . . . . . 424 LYS HB2 . 26335 2 452 . 2 . 1 51 51 LYS HB3 H 1 1.888 0.04 . 6 . . . . . 424 LYS HB3 . 26335 2 453 . 2 . 1 51 51 LYS C C 13 175.70 0.4 . 6 . . . . . 424 LYS C . 26335 2 454 . 2 . 1 51 51 LYS CA C 13 57.09 0.4 . 6 . . . . . 424 LYS CA . 26335 2 455 . 2 . 1 51 51 LYS CB C 13 32.15 0.4 . 6 . . . . . 424 LYS CB . 26335 2 456 . 2 . 1 51 51 LYS N N 15 117.10 0.2 . 6 . . . . . 424 LYS N . 26335 2 457 . 2 . 1 52 52 MET H H 1 7.800 0.04 . 6 . . . . . 425 MET H . 26335 2 458 . 2 . 1 52 52 MET HA H 1 4.005 0.04 . 6 . . . . . 425 MET HA . 26335 2 459 . 2 . 1 52 52 MET HB2 H 1 1.857 0.04 . 6 . . . . . 425 MET HB2 . 26335 2 460 . 2 . 1 52 52 MET HB3 H 1 1.724 0.04 . 6 . . . . . 425 MET HB3 . 26335 2 461 . 2 . 1 52 52 MET HE1 H 1 1.897 0.04 . 1 . . . . . 425 MET HE* . 26335 2 462 . 2 . 1 52 52 MET HE2 H 1 1.897 0.04 . 1 . . . . . 425 MET HE* . 26335 2 463 . 2 . 1 52 52 MET HE3 H 1 1.897 0.04 . 1 . . . . . 425 MET HE* . 26335 2 464 . 2 . 1 52 52 MET HG2 H 1 2.014 0.04 . 2 . . . . . 425 MET HG2 . 26335 2 465 . 2 . 1 52 52 MET HG3 H 1 2.392 0.04 . 2 . . . . . 425 MET HG3 . 26335 2 466 . 2 . 1 52 52 MET C C 13 174.12 0.4 . 6 . . . . . 425 MET C . 26335 2 467 . 2 . 1 52 52 MET CA C 13 57.94 0.4 . 6 . . . . . 425 MET CA . 26335 2 468 . 2 . 1 52 52 MET CB C 13 33.29 0.4 . 6 . . . . . 425 MET CB . 26335 2 469 . 2 . 1 52 52 MET CE C 13 16.57 0.4 . 1 . . . . . 425 MET CE . 26335 2 470 . 2 . 1 52 52 MET CG C 13 31.71 0.4 . 1 . . . . . 425 MET CG . 26335 2 471 . 2 . 1 52 52 MET N N 15 118.71 0.2 . 6 . . . . . 425 MET N . 26335 2 472 . 2 . 1 53 53 PHE H H 1 7.716 0.04 . 6 . . . . . 426 PHE H . 26335 2 473 . 2 . 1 53 53 PHE HA H 1 4.673 0.04 . 6 . . . . . 426 PHE HA . 26335 2 474 . 2 . 1 53 53 PHE HB2 H 1 2.857 0.04 . 6 . . . . . 426 PHE HB2 . 26335 2 475 . 2 . 1 53 53 PHE HB3 H 1 3.269 0.04 . 6 . . . . . 426 PHE HB3 . 26335 2 476 . 2 . 1 53 53 PHE HD1 H 1 7.221 0.04 . 6 . . . . . 426 PHE HD1 . 26335 2 477 . 2 . 1 53 53 PHE HD2 H 1 7.221 0.04 . 6 . . . . . 426 PHE HD2 . 26335 2 478 . 2 . 1 53 53 PHE HE1 H 1 7.080 0.04 . 1 . . . . . 426 PHE HE1 . 26335 2 479 . 2 . 1 53 53 PHE HE2 H 1 7.080 0.04 . 1 . . . . . 426 PHE HE2 . 26335 2 480 . 2 . 1 53 53 PHE C C 13 172.81 0.4 . 6 . . . . . 426 PHE C . 26335 2 481 . 2 . 1 53 53 PHE CA C 13 56.75 0.4 . 6 . . . . . 426 PHE CA . 26335 2 482 . 2 . 1 53 53 PHE CB C 13 38.94 0.4 . 6 . . . . . 426 PHE CB . 26335 2 483 . 2 . 1 53 53 PHE CD1 C 13 131.67 0.4 . 6 . . . . . 426 PHE CD1 . 26335 2 484 . 2 . 1 53 53 PHE CD2 C 13 131.67 0.4 . 6 . . . . . 426 PHE CD2 . 26335 2 485 . 2 . 1 53 53 PHE CE1 C 13 130.94 0.4 . 1 . . . . . 426 PHE CE1 . 26335 2 486 . 2 . 1 53 53 PHE CE2 C 13 130.94 0.4 . 1 . . . . . 426 PHE CE2 . 26335 2 487 . 2 . 1 53 53 PHE N N 15 116.99 0.2 . 6 . . . . . 426 PHE N . 26335 2 488 . 2 . 1 54 54 GLU H H 1 7.702 0.04 . 6 . . . . . 427 GLU H . 26335 2 489 . 2 . 1 54 54 GLU HA H 1 4.155 0.04 . 6 . . . . . 427 GLU HA . 26335 2 490 . 2 . 1 54 54 GLU HB2 H 1 1.987 0.04 . 6 . . . . . 427 GLU HB2 . 26335 2 491 . 2 . 1 54 54 GLU HB3 H 1 1.987 0.04 . 6 . . . . . 427 GLU HB3 . 26335 2 492 . 2 . 1 54 54 GLU C C 13 172.73 0.4 . 6 . . . . . 427 GLU C . 26335 2 493 . 2 . 1 54 54 GLU CA C 13 57.03 0.4 . 6 . . . . . 427 GLU CA . 26335 2 494 . 2 . 1 54 54 GLU CB C 13 30.07 0.4 . 6 . . . . . 427 GLU CB . 26335 2 495 . 2 . 1 54 54 GLU N N 15 121.45 0.2 . 6 . . . . . 427 GLU N . 26335 2 496 . 2 . 1 55 55 LYS H H 1 7.917 0.04 . 6 . . . . . 428 LYS H . 26335 2 497 . 2 . 1 55 55 LYS CA C 13 57.76 0.4 . 6 . . . . . 428 LYS CA . 26335 2 498 . 2 . 1 55 55 LYS CB C 13 33.36 0.4 . 6 . . . . . 428 LYS CB . 26335 2 499 . 2 . 1 55 55 LYS N N 15 127.25 0.2 . 6 . . . . . 428 LYS N . 26335 2 stop_ save_ save_assigned_chemical_shifts_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_3 _Assigned_chem_shift_list.Entry_ID 26335 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Name Mei _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 1H-15N HSQC' 1 $sample_1 isotropic 26335 3 2 '3D HNCACB' 1 $sample_1 isotropic 26335 3 3 '3D HN(CO)CACB' 1 $sample_1 isotropic 26335 3 4 '3D HNCO' 1 $sample_1 isotropic 26335 3 5 '3D HN(CA)CO' 1 $sample_1 isotropic 26335 3 6 '3D HBHA(CO)NH' 1 $sample_1 isotropic 26335 3 7 '3D H(C)CH TOCSY' 1 $sample_1 isotropic 26335 3 8 '3D (H)CCH TOCSY' 1 $sample_1 isotropic 26335 3 9 '2D 1H-13C HSQC' 1 $sample_1 isotropic 26335 3 10 '2D 1H-13C HSQC aromatic' 1 $sample_1 isotropic 26335 3 11 '3D 1H-15N NOESY' 1 $sample_1 isotropic 26335 3 12 '3D 1H-13C NOESY aliphatic' 1 $sample_1 isotropic 26335 3 13 '3D 1H-13C NOESY aromatic' 1 $sample_1 isotropic 26335 3 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 . . 26335 3 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 . 3 . 2 2 2 SER HA H 1 4.467 0.04 . 1 . . . . . 2 SER HA . 26335 3 2 . 3 . 2 2 2 SER HB2 H 1 3.802 0.04 . 1 . . . . . 2 SER HB2 . 26335 3 3 . 3 . 2 2 2 SER HB3 H 1 3.802 0.04 . 1 . . . . . 2 SER HB3 . 26335 3 4 . 3 . 2 2 2 SER C C 13 171.45 0.4 . 1 . . . . . 2 SER C . 26335 3 5 . 3 . 2 2 2 SER CA C 13 58.18 0.4 . 1 . . . . . 2 SER CA . 26335 3 6 . 3 . 2 2 2 SER CB C 13 63.87 0.4 . 1 . . . . . 2 SER CB . 26335 3 7 . 3 . 2 3 3 ARG H H 1 8.576 0.04 . 1 . . . . . 3 ARG H . 26335 3 8 . 3 . 2 3 3 ARG HA H 1 4.268 0.04 . 1 . . . . . 3 ARG HA . 26335 3 9 . 3 . 2 3 3 ARG HB2 H 1 1.696 0.04 . 2 . . . . . 3 ARG HB2 . 26335 3 10 . 3 . 2 3 3 ARG HB3 H 1 1.811 0.04 . 2 . . . . . 3 ARG HB3 . 26335 3 11 . 3 . 2 3 3 ARG C C 13 174.06 0.4 . 1 . . . . . 3 ARG C . 26335 3 12 . 3 . 2 3 3 ARG CA C 13 56.46 0.4 . 1 . . . . . 3 ARG CA . 26335 3 13 . 3 . 2 3 3 ARG CB C 13 30.72 0.4 . 1 . . . . . 3 ARG CB . 26335 3 14 . 3 . 2 3 3 ARG N N 15 123.48 0.2 . 1 . . . . . 3 ARG N . 26335 3 15 . 3 . 2 4 4 GLY H H 1 8.401 0.04 . 1 . . . . . 4 GLY H . 26335 3 16 . 3 . 2 4 4 GLY HA2 H 1 3.870 0.04 . 1 . . . . . 4 GLY HA2 . 26335 3 17 . 3 . 2 4 4 GLY HA3 H 1 3.870 0.04 . 1 . . . . . 4 GLY HA3 . 26335 3 18 . 3 . 2 4 4 GLY C C 13 171.29 0.4 . 1 . . . . . 4 GLY C . 26335 3 19 . 3 . 2 4 4 GLY CA C 13 45.27 0.4 . 1 . . . . . 4 GLY CA . 26335 3 20 . 3 . 2 4 4 GLY N N 15 109.78 0.2 . 1 . . . . . 4 GLY N . 26335 3 21 . 3 . 2 5 5 LYS H H 1 8.147 0.04 . 1 . . . . . 5 LYS H . 26335 3 22 . 3 . 2 5 5 LYS HA H 1 4.229 0.04 . 1 . . . . . 5 LYS HA . 26335 3 23 . 3 . 2 5 5 LYS HB2 H 1 1.703 0.04 . 2 . . . . . 5 LYS HB2 . 26335 3 24 . 3 . 2 5 5 LYS HB3 H 1 1.755 0.04 . 2 . . . . . 5 LYS HB3 . 26335 3 25 . 3 . 2 5 5 LYS C C 13 174.32 0.4 . 1 . . . . . 5 LYS C . 26335 3 26 . 3 . 2 5 5 LYS CA C 13 56.55 0.4 . 1 . . . . . 5 LYS CA . 26335 3 27 . 3 . 2 5 5 LYS CB C 13 32.99 0.4 . 1 . . . . . 5 LYS CB . 26335 3 28 . 3 . 2 5 5 LYS N N 15 120.98 0.2 . 1 . . . . . 5 LYS N . 26335 3 29 . 3 . 2 6 6 LEU H H 1 8.267 0.04 . 1 . . . . . 6 LEU H . 26335 3 30 . 3 . 2 6 6 LEU HA H 1 4.209 0.04 . 1 . . . . . 6 LEU HA . 26335 3 31 . 3 . 2 6 6 LEU HB2 H 1 1.513 0.04 . 2 . . . . . 6 LEU HB2 . 26335 3 32 . 3 . 2 6 6 LEU HB3 H 1 1.588 0.04 . 2 . . . . . 6 LEU HB3 . 26335 3 33 . 3 . 2 6 6 LEU C C 13 175.16 0.4 . 1 . . . . . 6 LEU C . 26335 3 34 . 3 . 2 6 6 LEU CA C 13 55.90 0.4 . 1 . . . . . 6 LEU CA . 26335 3 35 . 3 . 2 6 6 LEU CB C 13 41.99 0.4 . 1 . . . . . 6 LEU CB . 26335 3 36 . 3 . 2 6 6 LEU N N 15 123.18 0.2 . 1 . . . . . 6 LEU N . 26335 3 37 . 3 . 2 7 7 GLU H H 1 8.427 0.04 . 1 . . . . . 7 GLU H . 26335 3 38 . 3 . 2 7 7 GLU HA H 1 4.141 0.04 . 1 . . . . . 7 GLU HA . 26335 3 39 . 3 . 2 7 7 GLU HB2 H 1 1.880 0.04 . 2 . . . . . 7 GLU HB2 . 26335 3 40 . 3 . 2 7 7 GLU HB3 H 1 1.964 0.04 . 2 . . . . . 7 GLU HB3 . 26335 3 41 . 3 . 2 7 7 GLU C C 13 173.91 0.4 . 1 . . . . . 7 GLU C . 26335 3 42 . 3 . 2 7 7 GLU CA C 13 57.27 0.4 . 1 . . . . . 7 GLU CA . 26335 3 43 . 3 . 2 7 7 GLU CB C 13 30.07 0.4 . 1 . . . . . 7 GLU CB . 26335 3 44 . 3 . 2 7 7 GLU N N 15 120.75 0.2 . 1 . . . . . 7 GLU N . 26335 3 45 . 3 . 2 8 8 ASP H H 1 8.140 0.04 . 1 . . . . . 8 ASP H . 26335 3 46 . 3 . 2 8 8 ASP HA H 1 4.499 0.04 . 1 . . . . . 8 ASP HA . 26335 3 47 . 3 . 2 8 8 ASP HB2 H 1 2.586 0.04 . 2 . . . . . 8 ASP HB2 . 26335 3 48 . 3 . 2 8 8 ASP HB3 H 1 2.664 0.04 . 2 . . . . . 8 ASP HB3 . 26335 3 49 . 3 . 2 8 8 ASP C C 13 174.26 0.4 . 1 . . . . . 8 ASP C . 26335 3 50 . 3 . 2 8 8 ASP CA C 13 54.88 0.4 . 1 . . . . . 8 ASP CA . 26335 3 51 . 3 . 2 8 8 ASP CB C 13 41.12 0.4 . 1 . . . . . 8 ASP CB . 26335 3 52 . 3 . 2 8 8 ASP N N 15 120.85 0.2 . 1 . . . . . 8 ASP N . 26335 3 53 . 3 . 2 9 9 MET H H 1 8.190 0.04 . 1 . . . . . 9 MET H . 26335 3 54 . 3 . 2 9 9 MET HA H 1 4.258 0.04 . 1 . . . . . 9 MET HA . 26335 3 55 . 3 . 2 9 9 MET HB2 H 1 2.010 0.04 . 1 . . . . . 9 MET HB2 . 26335 3 56 . 3 . 2 9 9 MET HB3 H 1 2.010 0.04 . 1 . . . . . 9 MET HB3 . 26335 3 57 . 3 . 2 9 9 MET C C 13 174.49 0.4 . 1 . . . . . 9 MET C . 26335 3 58 . 3 . 2 9 9 MET CA C 13 56.62 0.4 . 1 . . . . . 9 MET CA . 26335 3 59 . 3 . 2 9 9 MET CB C 13 32.73 0.4 . 1 . . . . . 9 MET CB . 26335 3 60 . 3 . 2 9 9 MET N N 15 120.46 0.2 . 1 . . . . . 9 MET N . 26335 3 61 . 3 . 2 10 10 GLU H H 1 8.278 0.04 . 1 . . . . . 10 GLU H . 26335 3 62 . 3 . 2 10 10 GLU HA H 1 4.122 0.04 . 1 . . . . . 10 GLU HA . 26335 3 63 . 3 . 2 10 10 GLU HB2 H 1 1.965 0.04 . 1 . . . . . 10 GLU HB2 . 26335 3 64 . 3 . 2 10 10 GLU HB3 H 1 1.965 0.04 . 1 . . . . . 10 GLU HB3 . 26335 3 65 . 3 . 2 10 10 GLU C C 13 174.60 0.4 . 1 . . . . . 10 GLU C . 26335 3 66 . 3 . 2 10 10 GLU CA C 13 57.64 0.4 . 1 . . . . . 10 GLU CA . 26335 3 67 . 3 . 2 10 10 GLU CB C 13 29.89 0.4 . 1 . . . . . 10 GLU CB . 26335 3 68 . 3 . 2 10 10 GLU N N 15 120.88 0.2 . 1 . . . . . 10 GLU N . 26335 3 69 . 3 . 2 11 11 GLN H H 1 8.198 0.04 . 1 . . . . . 11 GLN H . 26335 3 70 . 3 . 2 11 11 GLN HA H 1 4.171 0.04 . 1 . . . . . 11 GLN HA . 26335 3 71 . 3 . 2 11 11 GLN HB2 H 1 1.977 0.04 . 2 . . . . . 11 GLN HB2 . 26335 3 72 . 3 . 2 11 11 GLN HB3 H 1 2.028 0.04 . 2 . . . . . 11 GLN HB3 . 26335 3 73 . 3 . 2 11 11 GLN C C 13 174.12 0.4 . 1 . . . . . 11 GLN C . 26335 3 74 . 3 . 2 11 11 GLN CA C 13 56.71 0.4 . 1 . . . . . 11 GLN CA . 26335 3 75 . 3 . 2 11 11 GLN CB C 13 28.97 0.4 . 1 . . . . . 11 GLN CB . 26335 3 76 . 3 . 2 11 11 GLN N N 15 120.50 0.2 . 1 . . . . . 11 GLN N . 26335 3 77 . 3 . 2 12 12 LYS H H 1 8.098 0.04 . 1 . . . . . 12 LYS H . 26335 3 78 . 3 . 2 12 12 LYS HA H 1 4.141 0.04 . 1 . . . . . 12 LYS HA . 26335 3 79 . 3 . 2 12 12 LYS HB2 H 1 1.729 0.04 . 1 . . . . . 12 LYS HB2 . 26335 3 80 . 3 . 2 12 12 LYS HB3 H 1 1.729 0.04 . 1 . . . . . 12 LYS HB3 . 26335 3 81 . 3 . 2 12 12 LYS C C 13 174.57 0.4 . 1 . . . . . 12 LYS C . 26335 3 82 . 3 . 2 12 12 LYS CA C 13 57.46 0.4 . 1 . . . . . 12 LYS CA . 26335 3 83 . 3 . 2 12 12 LYS CB C 13 32.93 0.4 . 1 . . . . . 12 LYS CB . 26335 3 84 . 3 . 2 12 12 LYS N N 15 121.76 0.2 . 1 . . . . . 12 LYS N . 26335 3 85 . 3 . 2 13 13 GLU H H 1 8.236 0.04 . 1 . . . . . 13 GLU H . 26335 3 86 . 3 . 2 13 13 GLU C C 13 174.45 0.4 . 1 . . . . . 13 GLU C . 26335 3 87 . 3 . 2 13 13 GLU N N 15 121.40 0.2 . 1 . . . . . 13 GLU N . 26335 3 88 . 3 . 2 31 31 PRO C C 13 177.19 0.4 . 1 . . . . . 31 PRO C . 26335 3 89 . 3 . 2 32 32 THR H H 1 8.297 0.04 . 1 . . . . . 32 THR H . 26335 3 90 . 3 . 2 32 32 THR HA H 1 3.918 0.04 . 1 . . . . . 32 THR HA . 26335 3 91 . 3 . 2 32 32 THR HB H 1 4.130 0.04 . 1 . . . . . 32 THR HB . 26335 3 92 . 3 . 2 32 32 THR HG21 H 1 1.209 0.04 . 1 . . . . . 32 THR HG2* . 26335 3 93 . 3 . 2 32 32 THR HG22 H 1 1.209 0.04 . 1 . . . . . 32 THR HG2* . 26335 3 94 . 3 . 2 32 32 THR HG23 H 1 1.209 0.04 . 1 . . . . . 32 THR HG2* . 26335 3 95 . 3 . 2 32 32 THR C C 13 174.11 0.4 . 1 . . . . . 32 THR C . 26335 3 96 . 3 . 2 32 32 THR CA C 13 66.20 0.4 . 1 . . . . . 32 THR CA . 26335 3 97 . 3 . 2 32 32 THR CB C 13 68.12 0.4 . 1 . . . . . 32 THR CB . 26335 3 98 . 3 . 2 32 32 THR CG2 C 13 21.86 0.4 . 1 . . . . . 32 THR CG2 . 26335 3 99 . 3 . 2 32 32 THR N N 15 113.16 0.2 . 1 . . . . . 32 THR N . 26335 3 100 . 3 . 2 33 33 LEU H H 1 7.143 0.04 . 1 . . . . . 33 LEU H . 26335 3 101 . 3 . 2 33 33 LEU HA H 1 3.989 0.04 . 1 . . . . . 33 LEU HA . 26335 3 102 . 3 . 2 33 33 LEU HB2 H 1 1.458 0.04 . 1 . . . . . 33 LEU HB2 . 26335 3 103 . 3 . 2 33 33 LEU HB3 H 1 1.458 0.04 . 1 . . . . . 33 LEU HB3 . 26335 3 104 . 3 . 2 33 33 LEU C C 13 174.76 0.4 . 1 . . . . . 33 LEU C . 26335 3 105 . 3 . 2 33 33 LEU CA C 13 57.57 0.4 . 1 . . . . . 33 LEU CA . 26335 3 106 . 3 . 2 33 33 LEU CB C 13 42.36 0.4 . 1 . . . . . 33 LEU CB . 26335 3 107 . 3 . 2 33 33 LEU N N 15 124.63 0.2 . 1 . . . . . 33 LEU N . 26335 3 108 . 3 . 2 34 34 TRP H H 1 7.799 0.04 . 1 . . . . . 34 TRP H . 26335 3 109 . 3 . 2 34 34 TRP HA H 1 4.045 0.04 . 1 . . . . . 34 TRP HA . 26335 3 110 . 3 . 2 34 34 TRP HD1 H 1 7.041 0.04 . 1 . . . . . 34 TRP HD1 . 26335 3 111 . 3 . 2 34 34 TRP HE1 H 1 10.286 0.04 . 1 . . . . . 34 TRP HE1 . 26335 3 112 . 3 . 2 34 34 TRP C C 13 173.23 0.4 . 1 . . . . . 34 TRP C . 26335 3 113 . 3 . 2 34 34 TRP CA C 13 59.85 0.4 . 1 . . . . . 34 TRP CA . 26335 3 114 . 3 . 2 34 34 TRP CD1 C 13 127.22 0.4 . 1 . . . . . 34 TRP CD1 . 26335 3 115 . 3 . 2 34 34 TRP N N 15 118.06 0.2 . 1 . . . . . 34 TRP N . 26335 3 116 . 3 . 2 34 34 TRP NE1 N 15 131.05 0.2 . 1 . . . . . 34 TRP NE1 . 26335 3 117 . 3 . 2 35 35 LYS H H 1 7.966 0.04 . 1 . . . . . 35 LYS H . 26335 3 118 . 3 . 2 35 35 LYS HA H 1 3.611 0.04 . 1 . . . . . 35 LYS HA . 26335 3 119 . 3 . 2 35 35 LYS HB2 H 1 1.788 0.04 . 1 . . . . . 35 LYS HB2 . 26335 3 120 . 3 . 2 35 35 LYS HB3 H 1 1.788 0.04 . 1 . . . . . 35 LYS HB3 . 26335 3 121 . 3 . 2 35 35 LYS C C 13 177.19 0.4 . 1 . . . . . 35 LYS C . 26335 3 122 . 3 . 2 35 35 LYS CA C 13 59.45 0.4 . 1 . . . . . 35 LYS CA . 26335 3 123 . 3 . 2 35 35 LYS CB C 13 32.31 0.4 . 1 . . . . . 35 LYS CB . 26335 3 124 . 3 . 2 35 35 LYS N N 15 114.25 0.2 . 1 . . . . . 35 LYS N . 26335 3 125 . 3 . 2 36 36 ARG H H 1 7.492 0.04 . 1 . . . . . 36 ARG H . 26335 3 126 . 3 . 2 36 36 ARG C C 13 175.41 0.4 . 1 . . . . . 36 ARG C . 26335 3 127 . 3 . 2 36 36 ARG N N 15 119.35 0.2 . 1 . . . . . 36 ARG N . 26335 3 128 . 3 . 2 37 37 ALA H H 1 7.928 0.04 . 1 . . . . . 37 ALA H . 26335 3 129 . 3 . 2 37 37 ALA HA H 1 2.242 0.04 . 1 . . . . . 37 ALA HA . 26335 3 130 . 3 . 2 37 37 ALA HB1 H 1 0.603 0.04 . 1 . . . . . 37 ALA HB* . 26335 3 131 . 3 . 2 37 37 ALA HB2 H 1 0.603 0.04 . 1 . . . . . 37 ALA HB* . 26335 3 132 . 3 . 2 37 37 ALA HB3 H 1 0.603 0.04 . 1 . . . . . 37 ALA HB* . 26335 3 133 . 3 . 2 37 37 ALA C C 13 175.08 0.4 . 1 . . . . . 37 ALA C . 26335 3 134 . 3 . 2 37 37 ALA CA C 13 53.35 0.4 . 1 . . . . . 37 ALA CA . 26335 3 135 . 3 . 2 37 37 ALA CB C 13 17.51 0.4 . 1 . . . . . 37 ALA CB . 26335 3 136 . 3 . 2 37 37 ALA N N 15 122.16 0.2 . 1 . . . . . 37 ALA N . 26335 3 137 . 3 . 2 38 38 LEU H H 1 7.011 0.04 . 1 . . . . . 38 LEU H . 26335 3 138 . 3 . 2 38 38 LEU HA H 1 3.683 0.04 . 1 . . . . . 38 LEU HA . 26335 3 139 . 3 . 2 38 38 LEU HB2 H 1 1.067 0.04 . 2 . . . . . 38 LEU HB2 . 26335 3 140 . 3 . 2 38 38 LEU HB3 H 1 1.219 0.04 . 2 . . . . . 38 LEU HB3 . 26335 3 141 . 3 . 2 38 38 LEU HD11 H 1 0.207 0.04 . 2 . . . . . 38 LEU HD1* . 26335 3 142 . 3 . 2 38 38 LEU HD12 H 1 0.207 0.04 . 2 . . . . . 38 LEU HD1* . 26335 3 143 . 3 . 2 38 38 LEU HD13 H 1 0.207 0.04 . 2 . . . . . 38 LEU HD1* . 26335 3 144 . 3 . 2 38 38 LEU HD21 H 1 0.277 0.04 . 2 . . . . . 38 LEU HD2* . 26335 3 145 . 3 . 2 38 38 LEU HD22 H 1 0.277 0.04 . 2 . . . . . 38 LEU HD2* . 26335 3 146 . 3 . 2 38 38 LEU HD23 H 1 0.277 0.04 . 2 . . . . . 38 LEU HD2* . 26335 3 147 . 3 . 2 38 38 LEU HG H 1 0.813 0.04 . 1 . . . . . 38 LEU HG . 26335 3 148 . 3 . 2 38 38 LEU C C 13 175.91 0.4 . 1 . . . . . 38 LEU C . 26335 3 149 . 3 . 2 38 38 LEU CA C 13 55.09 0.4 . 1 . . . . . 38 LEU CA . 26335 3 150 . 3 . 2 38 38 LEU CB C 13 41.52 0.4 . 1 . . . . . 38 LEU CB . 26335 3 151 . 3 . 2 38 38 LEU CD1 C 13 22.60 0.4 . 2 . . . . . 38 LEU CD1 . 26335 3 152 . 3 . 2 38 38 LEU CD2 C 13 24.30 0.4 . 2 . . . . . 38 LEU CD2 . 26335 3 153 . 3 . 2 38 38 LEU CG C 13 26.52 0.4 . 1 . . . . . 38 LEU CG . 26335 3 154 . 3 . 2 38 38 LEU N N 15 114.65 0.2 . 1 . . . . . 38 LEU N . 26335 3 155 . 3 . 2 39 39 SER H H 1 7.294 0.04 . 1 . . . . . 39 SER H . 26335 3 156 . 3 . 2 39 39 SER HA H 1 4.112 0.04 . 1 . . . . . 39 SER HA . 26335 3 157 . 3 . 2 39 39 SER HB2 H 1 3.814 0.04 . 1 . . . . . 39 SER HB2 . 26335 3 158 . 3 . 2 39 39 SER HB3 H 1 3.814 0.04 . 1 . . . . . 39 SER HB3 . 26335 3 159 . 3 . 2 39 39 SER C C 13 172.23 0.4 . 1 . . . . . 39 SER C . 26335 3 160 . 3 . 2 39 39 SER CA C 13 59.51 0.4 . 1 . . . . . 39 SER CA . 26335 3 161 . 3 . 2 39 39 SER CB C 13 63.57 0.4 . 1 . . . . . 39 SER CB . 26335 3 162 . 3 . 2 39 39 SER N N 15 114.00 0.2 . 1 . . . . . 39 SER N . 26335 3 163 . 3 . 2 40 40 ARG H H 1 7.858 0.04 . 1 . . . . . 40 ARG H . 26335 3 164 . 3 . 2 40 40 ARG HA H 1 4.283 0.04 . 1 . . . . . 40 ARG HA . 26335 3 165 . 3 . 2 40 40 ARG HB2 H 1 1.642 0.04 . 2 . . . . . 40 ARG HB2 . 26335 3 166 . 3 . 2 40 40 ARG HB3 H 1 1.871 0.04 . 2 . . . . . 40 ARG HB3 . 26335 3 167 . 3 . 2 40 40 ARG C C 13 173.63 0.4 . 1 . . . . . 40 ARG C . 26335 3 168 . 3 . 2 40 40 ARG CA C 13 55.58 0.4 . 1 . . . . . 40 ARG CA . 26335 3 169 . 3 . 2 40 40 ARG CB C 13 30.15 0.4 . 1 . . . . . 40 ARG CB . 26335 3 170 . 3 . 2 40 40 ARG N N 15 122.34 0.2 . 1 . . . . . 40 ARG N . 26335 3 171 . 3 . 2 41 41 LYS H H 1 8.036 0.04 . 1 . . . . . 41 LYS H . 26335 3 172 . 3 . 2 41 41 LYS HA H 1 4.152 0.04 . 1 . . . . . 41 LYS HA . 26335 3 173 . 3 . 2 41 41 LYS HB2 H 1 1.714 0.04 . 1 . . . . . 41 LYS HB2 . 26335 3 174 . 3 . 2 41 41 LYS HB3 H 1 1.714 0.04 . 1 . . . . . 41 LYS HB3 . 26335 3 175 . 3 . 2 41 41 LYS C C 13 173.72 0.4 . 1 . . . . . 41 LYS C . 26335 3 176 . 3 . 2 41 41 LYS CA C 13 56.87 0.4 . 1 . . . . . 41 LYS CA . 26335 3 177 . 3 . 2 41 41 LYS CB C 13 32.81 0.4 . 1 . . . . . 41 LYS CB . 26335 3 178 . 3 . 2 41 41 LYS N N 15 122.30 0.2 . 1 . . . . . 41 LYS N . 26335 3 179 . 3 . 2 42 42 LYS H H 1 8.302 0.04 . 1 . . . . . 42 LYS H . 26335 3 180 . 3 . 2 42 42 LYS HA H 1 4.270 0.04 . 1 . . . . . 42 LYS HA . 26335 3 181 . 3 . 2 42 42 LYS HB2 H 1 1.674 0.04 . 2 . . . . . 42 LYS HB2 . 26335 3 182 . 3 . 2 42 42 LYS HB3 H 1 1.798 0.04 . 2 . . . . . 42 LYS HB3 . 26335 3 183 . 3 . 2 42 42 LYS C C 13 173.23 0.4 . 1 . . . . . 42 LYS C . 26335 3 184 . 3 . 2 42 42 LYS CA C 13 56.24 0.4 . 1 . . . . . 42 LYS CA . 26335 3 185 . 3 . 2 42 42 LYS CB C 13 33.00 0.4 . 1 . . . . . 42 LYS CB . 26335 3 186 . 3 . 2 42 42 LYS N N 15 122.56 0.2 . 1 . . . . . 42 LYS N . 26335 3 187 . 3 . 2 43 43 GLY H H 1 7.908 0.04 . 1 . . . . . 43 GLY H . 26335 3 188 . 3 . 2 43 43 GLY C C 13 176.22 0.4 . 1 . . . . . 43 GLY C . 26335 3 189 . 3 . 2 43 43 GLY N N 15 116.36 0.2 . 1 . . . . . 43 GLY N . 26335 3 stop_ save_