data_26022 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26022 _Entry.Title ; Solution structure of translation initiation factor IF1 from wolbachia endosymbiont strain TRS of Brugia malayi ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-03-31 _Entry.Accession_date 2016-03-31 _Entry.Last_release_date 2016-07-07 _Entry.Original_release_date 2016-07-07 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Ashish Kabra . . . . 26022 2 Jitendra Nag . . . . 26022 3 Ashish Arora . . . . 26022 4 Shailja Bhattacharya . Misra . . 26022 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 26022 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Protein . 26022 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26022 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 376 26022 '15N chemical shifts' 83 26022 '1H chemical shifts' 619 26022 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2017-03-30 . original BMRB . 26022 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2NCH 'BMRB Entry Tracking System' 26022 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26022 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of translation initiation factor IF1 from wolbachia endosymbiont strain TRS of Brugia malayi ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 Ashish Kabra . . . . 26022 1 2 Jitendra Nag . . . . 26022 1 3 Ashish Arora . . . . 26022 1 4 Shailja Bhattacharya . Misra . . 26022 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26022 _Assembly.ID 1 _Assembly.Name 'translation initiation factor IF1' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'translation initiation factor IF1' 1 $IF1 A . yes native no no . . . 26022 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_IF1 _Entity.Sf_category entity _Entity.Sf_framecode IF1 _Entity.Entry_ID 26022 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name IF1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MVKDEKSKTLFEVEGAVTAL LPAAEFRVKLDNEHEIICHV SGKVRRSKIRIIIGDRVLVE MSIYDRNAKKGRIIRRLKGT SDRTISK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Sequence does not contain the purification tag.' _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 87 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9956.837 _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 . 26022 1 2 2 VAL . 26022 1 3 3 LYS . 26022 1 4 4 ASP . 26022 1 5 5 GLU . 26022 1 6 6 LYS . 26022 1 7 7 SER . 26022 1 8 8 LYS . 26022 1 9 9 THR . 26022 1 10 10 LEU . 26022 1 11 11 PHE . 26022 1 12 12 GLU . 26022 1 13 13 VAL . 26022 1 14 14 GLU . 26022 1 15 15 GLY . 26022 1 16 16 ALA . 26022 1 17 17 VAL . 26022 1 18 18 THR . 26022 1 19 19 ALA . 26022 1 20 20 LEU . 26022 1 21 21 LEU . 26022 1 22 22 PRO . 26022 1 23 23 ALA . 26022 1 24 24 ALA . 26022 1 25 25 GLU . 26022 1 26 26 PHE . 26022 1 27 27 ARG . 26022 1 28 28 VAL . 26022 1 29 29 LYS . 26022 1 30 30 LEU . 26022 1 31 31 ASP . 26022 1 32 32 ASN . 26022 1 33 33 GLU . 26022 1 34 34 HIS . 26022 1 35 35 GLU . 26022 1 36 36 ILE . 26022 1 37 37 ILE . 26022 1 38 38 CYS . 26022 1 39 39 HIS . 26022 1 40 40 VAL . 26022 1 41 41 SER . 26022 1 42 42 GLY . 26022 1 43 43 LYS . 26022 1 44 44 VAL . 26022 1 45 45 ARG . 26022 1 46 46 ARG . 26022 1 47 47 SER . 26022 1 48 48 LYS . 26022 1 49 49 ILE . 26022 1 50 50 ARG . 26022 1 51 51 ILE . 26022 1 52 52 ILE . 26022 1 53 53 ILE . 26022 1 54 54 GLY . 26022 1 55 55 ASP . 26022 1 56 56 ARG . 26022 1 57 57 VAL . 26022 1 58 58 LEU . 26022 1 59 59 VAL . 26022 1 60 60 GLU . 26022 1 61 61 MET . 26022 1 62 62 SER . 26022 1 63 63 ILE . 26022 1 64 64 TYR . 26022 1 65 65 ASP . 26022 1 66 66 ARG . 26022 1 67 67 ASN . 26022 1 68 68 ALA . 26022 1 69 69 LYS . 26022 1 70 70 LYS . 26022 1 71 71 GLY . 26022 1 72 72 ARG . 26022 1 73 73 ILE . 26022 1 74 74 ILE . 26022 1 75 75 ARG . 26022 1 76 76 ARG . 26022 1 77 77 LEU . 26022 1 78 78 LYS . 26022 1 79 79 GLY . 26022 1 80 80 THR . 26022 1 81 81 SER . 26022 1 82 82 ASP . 26022 1 83 83 ARG . 26022 1 84 84 THR . 26022 1 85 85 ILE . 26022 1 86 86 SER . 26022 1 87 87 LYS . 26022 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 26022 1 . VAL 2 2 26022 1 . LYS 3 3 26022 1 . ASP 4 4 26022 1 . GLU 5 5 26022 1 . LYS 6 6 26022 1 . SER 7 7 26022 1 . LYS 8 8 26022 1 . THR 9 9 26022 1 . LEU 10 10 26022 1 . PHE 11 11 26022 1 . GLU 12 12 26022 1 . VAL 13 13 26022 1 . GLU 14 14 26022 1 . GLY 15 15 26022 1 . ALA 16 16 26022 1 . VAL 17 17 26022 1 . THR 18 18 26022 1 . ALA 19 19 26022 1 . LEU 20 20 26022 1 . LEU 21 21 26022 1 . PRO 22 22 26022 1 . ALA 23 23 26022 1 . ALA 24 24 26022 1 . GLU 25 25 26022 1 . PHE 26 26 26022 1 . ARG 27 27 26022 1 . VAL 28 28 26022 1 . LYS 29 29 26022 1 . LEU 30 30 26022 1 . ASP 31 31 26022 1 . ASN 32 32 26022 1 . GLU 33 33 26022 1 . HIS 34 34 26022 1 . GLU 35 35 26022 1 . ILE 36 36 26022 1 . ILE 37 37 26022 1 . CYS 38 38 26022 1 . HIS 39 39 26022 1 . VAL 40 40 26022 1 . SER 41 41 26022 1 . GLY 42 42 26022 1 . LYS 43 43 26022 1 . VAL 44 44 26022 1 . ARG 45 45 26022 1 . ARG 46 46 26022 1 . SER 47 47 26022 1 . LYS 48 48 26022 1 . ILE 49 49 26022 1 . ARG 50 50 26022 1 . ILE 51 51 26022 1 . ILE 52 52 26022 1 . ILE 53 53 26022 1 . GLY 54 54 26022 1 . ASP 55 55 26022 1 . ARG 56 56 26022 1 . VAL 57 57 26022 1 . LEU 58 58 26022 1 . VAL 59 59 26022 1 . GLU 60 60 26022 1 . MET 61 61 26022 1 . SER 62 62 26022 1 . ILE 63 63 26022 1 . TYR 64 64 26022 1 . ASP 65 65 26022 1 . ARG 66 66 26022 1 . ASN 67 67 26022 1 . ALA 68 68 26022 1 . LYS 69 69 26022 1 . LYS 70 70 26022 1 . GLY 71 71 26022 1 . ARG 72 72 26022 1 . ILE 73 73 26022 1 . ILE 74 74 26022 1 . ARG 75 75 26022 1 . ARG 76 76 26022 1 . LEU 77 77 26022 1 . LYS 78 78 26022 1 . GLY 79 79 26022 1 . THR 80 80 26022 1 . SER 81 81 26022 1 . ASP 82 82 26022 1 . ARG 83 83 26022 1 . THR 84 84 26022 1 . ILE 85 85 26022 1 . SER 86 86 26022 1 . LYS 87 87 26022 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 26022 _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 $IF1 . 953 organism . Wolbachia a-proteobacteria . . Bacteria . . . . . . . . . . . . . . . . 26022 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 26022 _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 $IF1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET-28 . . . 26022 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26022 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 IF1 '[U-100% 15N]' . . 1 $IF1 . . . 0.5 1.0 mM . . . . 26022 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 26022 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 26022 1 4 'sodium azide' 'natural abundance' . . . . . . 0.1 . . % . . . . 26022 1 5 PMSF 'natural abundance' . . . . . . 2 . . mM . . . . 26022 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 26022 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 IF1 '[U-100% 13C; U-100% 15N]' . . 1 $IF1 . . . 0.8 1.0 mM . . . . 26022 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 26022 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 26022 2 4 'sodium azide' 'natural abundance' . . . . . . 0.1 . . % . . . . 26022 2 5 PMSF 'natural abundance' . . . . . . 2 . . mM . . . . 26022 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 26022 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 IF1 '[U-100% 13C; U-100% 15N]' . . 1 $IF1 . . 1.0 . . mM . . . . 26022 3 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 26022 3 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 26022 3 4 'sodium azide' 'natural abundance' . . . . . . 0.1 . . % . . . . 26022 3 5 PMSF 'natural abundance' . . . . . . 2 . . mM . . . . 26022 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 26022 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 26022 1 pH 6.5 . pH 26022 1 pressure 1 . atm 26022 1 temperature 298 . K 26022 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 26022 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 26022 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 26022 1 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 26022 _Software.ID 2 _Software.Name PSVS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 26022 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID Validation 26022 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26022 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26022 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26022 3 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 26022 _Software.ID 4 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 26022 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 26022 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 26022 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26022 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 26022 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 26022 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26022 1 2 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26022 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26022 1 4 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26022 1 5 '3D HN(CA)CO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26022 1 6 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26022 1 7 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26022 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26022 1 9 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26022 1 10 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26022 1 11 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26022 1 12 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26022 1 13 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26022 1 14 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26022 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 26022 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 26022 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26022 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26022 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_Chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Chemical_shifts _Assigned_chem_shift_list.Entry_ID 26022 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 26022 1 2 '3D HNCO' . . . 26022 1 3 '3D CBCA(CO)NH' . . . 26022 1 4 '3D HNCACB' . . . 26022 1 5 '3D HN(CA)CO' . . . 26022 1 12 '3D C(CO)NH' . . . 26022 1 13 '3D H(CCO)NH' . . . 26022 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.465 . . . . . . A 1 MET HA . 26022 1 2 . 1 1 1 1 MET HB2 H 1 2.010 . . . . . . A 1 MET HB2 . 26022 1 3 . 1 1 1 1 MET HB3 H 1 2.010 . . . . . . A 1 MET HB3 . 26022 1 4 . 1 1 1 1 MET HG2 H 1 2.534 . . . . . . A 1 MET HG2 . 26022 1 5 . 1 1 1 1 MET HG3 H 1 2.534 . . . . . . A 1 MET HG3 . 26022 1 6 . 1 1 1 1 MET H H 1 8.346 . . . . . . A 1 MET H1 . 26022 1 7 . 1 1 1 1 MET C C 13 175.921 . . . . . . A 1 MET C . 26022 1 8 . 1 1 1 1 MET CA C 13 55.535 . . . . . . A 1 MET CA . 26022 1 9 . 1 1 1 1 MET CB C 13 32.035 . . . . . . A 1 MET CB . 26022 1 10 . 1 1 1 1 MET CG C 13 29.116 . . . . . . A 1 MET CG . 26022 1 11 . 1 1 1 1 MET N N 15 122.118 . . . . . . A 1 MET N . 26022 1 12 . 1 1 2 2 VAL H H 1 8.154 . . . . . . A 2 VAL H . 26022 1 13 . 1 1 2 2 VAL HA H 1 4.091 . . . . . . A 2 VAL HA . 26022 1 14 . 1 1 2 2 VAL HB H 1 2.034 . . . . . . A 2 VAL HB . 26022 1 15 . 1 1 2 2 VAL HG11 H 1 0.905 . . . . . . A 2 VAL HG11 . 26022 1 16 . 1 1 2 2 VAL HG12 H 1 0.905 . . . . . . A 2 VAL HG12 . 26022 1 17 . 1 1 2 2 VAL HG13 H 1 0.905 . . . . . . A 2 VAL HG13 . 26022 1 18 . 1 1 2 2 VAL HG21 H 1 0.905 . . . . . . A 2 VAL HG21 . 26022 1 19 . 1 1 2 2 VAL HG22 H 1 0.905 . . . . . . A 2 VAL HG22 . 26022 1 20 . 1 1 2 2 VAL HG23 H 1 0.905 . . . . . . A 2 VAL HG23 . 26022 1 21 . 1 1 2 2 VAL C C 13 175.921 . . . . . . A 2 VAL C . 26022 1 22 . 1 1 2 2 VAL CA C 13 62.057 . . . . . . A 2 VAL CA . 26022 1 23 . 1 1 2 2 VAL CB C 13 32.848 . . . . . . A 2 VAL CB . 26022 1 24 . 1 1 2 2 VAL CG1 C 13 20.793 . . . . . . A 2 VAL CG1 . 26022 1 25 . 1 1 2 2 VAL CG2 C 13 20.793 . . . . . . A 2 VAL CG2 . 26022 1 26 . 1 1 2 2 VAL N N 15 122.187 . . . . . . A 2 VAL N . 26022 1 27 . 1 1 3 3 LYS H H 1 8.396 . . . . . . A 3 LYS H . 26022 1 28 . 1 1 3 3 LYS HA H 1 4.289 . . . . . . A 3 LYS HA . 26022 1 29 . 1 1 3 3 LYS HB2 H 1 2.240 . . . . . . A 3 LYS HB2 . 26022 1 30 . 1 1 3 3 LYS HB3 H 1 2.240 . . . . . . A 3 LYS HB3 . 26022 1 31 . 1 1 3 3 LYS HG2 H 1 1.374 . . . . . . A 3 LYS HG2 . 26022 1 32 . 1 1 3 3 LYS HG3 H 1 1.374 . . . . . . A 3 LYS HG3 . 26022 1 33 . 1 1 3 3 LYS HD2 H 1 1.732 . . . . . . A 3 LYS HD2 . 26022 1 34 . 1 1 3 3 LYS HD3 H 1 1.732 . . . . . . A 3 LYS HD3 . 26022 1 35 . 1 1 3 3 LYS HE2 H 1 2.963 . . . . . . A 3 LYS HE2 . 26022 1 36 . 1 1 3 3 LYS HE3 H 1 2.963 . . . . . . A 3 LYS HE3 . 26022 1 37 . 1 1 3 3 LYS C C 13 176.155 . . . . . . A 3 LYS C . 26022 1 38 . 1 1 3 3 LYS CA C 13 56.323 . . . . . . A 3 LYS CA . 26022 1 39 . 1 1 3 3 LYS CB C 13 33.320 . . . . . . A 3 LYS CB . 26022 1 40 . 1 1 3 3 LYS CG C 13 24.627 . . . . . . A 3 LYS CG . 26022 1 41 . 1 1 3 3 LYS CD C 13 30.211 . . . . . . A 3 LYS CD . 26022 1 42 . 1 1 3 3 LYS CE C 13 42.125 . . . . . . A 3 LYS CE . 26022 1 43 . 1 1 3 3 LYS N N 15 125.437 . . . . . . A 3 LYS N . 26022 1 44 . 1 1 4 4 ASP H H 1 8.325 . . . . . . A 4 ASP H . 26022 1 45 . 1 1 4 4 ASP HA H 1 4.289 . . . . . . A 4 ASP HA . 26022 1 46 . 1 1 4 4 ASP HB2 H 1 2.264 . . . . . . A 4 ASP HB2 . 26022 1 47 . 1 1 4 4 ASP HB3 H 1 1.930 . . . . . . A 4 ASP HB3 . 26022 1 48 . 1 1 4 4 ASP C C 13 176.319 . . . . . . A 4 ASP C . 26022 1 49 . 1 1 4 4 ASP CA C 13 54.029 . . . . . . A 4 ASP CA . 26022 1 50 . 1 1 4 4 ASP CB C 13 41.280 . . . . . . A 4 ASP CB . 26022 1 51 . 1 1 4 4 ASP N N 15 121.937 . . . . . . A 4 ASP N . 26022 1 52 . 1 1 5 5 GLU H H 1 8.464 . . . . . . A 5 GLU H . 26022 1 53 . 1 1 5 5 GLU HA H 1 4.250 . . . . . . A 5 GLU HA . 26022 1 54 . 1 1 5 5 GLU HB2 H 1 1.945 . . . . . . A 5 GLU HB2 . 26022 1 55 . 1 1 5 5 GLU HB3 H 1 1.946 . . . . . . A 5 GLU HB3 . 26022 1 56 . 1 1 5 5 GLU HG2 H 1 2.248 . . . . . . A 5 GLU HG2 . 26022 1 57 . 1 1 5 5 GLU HG3 H 1 2.248 . . . . . . A 5 GLU HG3 . 26022 1 58 . 1 1 5 5 GLU C C 13 177.045 . . . . . . A 5 GLU C . 26022 1 59 . 1 1 5 5 GLU CA C 13 56.930 . . . . . . A 5 GLU CA . 26022 1 60 . 1 1 5 5 GLU CB C 13 30.554 . . . . . . A 5 GLU CB . 26022 1 61 . 1 1 5 5 GLU CG C 13 36.166 . . . . . . A 5 GLU CG . 26022 1 62 . 1 1 5 5 GLU N N 15 122.369 . . . . . . A 5 GLU N . 26022 1 63 . 1 1 6 6 LYS H H 1 8.390 . . . . . . A 6 LYS H . 26022 1 64 . 1 1 6 6 LYS HA H 1 4.282 . . . . . . A 6 LYS HA . 26022 1 65 . 1 1 6 6 LYS HB2 H 1 1.906 . . . . . . A 6 LYS HB2 . 26022 1 66 . 1 1 6 6 LYS HB3 H 1 1.906 . . . . . . A 6 LYS HB3 . 26022 1 67 . 1 1 6 6 LYS HG2 H 1 1.450 . . . . . . A 6 LYS HG2 . 26022 1 68 . 1 1 6 6 LYS HG3 H 1 1.450 . . . . . . A 6 LYS HG3 . 26022 1 69 . 1 1 6 6 LYS HD2 H 1 1.671 . . . . . . A 6 LYS HD2 . 26022 1 70 . 1 1 6 6 LYS HD3 H 1 1.671 . . . . . . A 6 LYS HD3 . 26022 1 71 . 1 1 6 6 LYS HE2 H 1 2.985 . . . . . . A 6 LYS HE2 . 26022 1 72 . 1 1 6 6 LYS HE3 H 1 2.985 . . . . . . A 6 LYS HE3 . 26022 1 73 . 1 1 6 6 LYS C C 13 177.185 . . . . . . A 6 LYS C . 26022 1 74 . 1 1 6 6 LYS CA C 13 56.930 . . . . . . A 6 LYS CA . 26022 1 75 . 1 1 6 6 LYS CB C 13 32.713 . . . . . . A 6 LYS CB . 26022 1 76 . 1 1 6 6 LYS CG C 13 24.780 . . . . . . A 6 LYS CG . 26022 1 77 . 1 1 6 6 LYS CD C 13 29.050 . . . . . . A 6 LYS CD . 26022 1 78 . 1 1 6 6 LYS CE C 13 42.800 . . . . . . A 6 LYS CE . 26022 1 79 . 1 1 6 6 LYS N N 15 121.437 . . . . . . A 6 LYS N . 26022 1 80 . 1 1 7 7 SER H H 1 8.205 . . . . . . A 7 SER H . 26022 1 81 . 1 1 7 7 SER HA H 1 4.396 . . . . . . A 7 SER HA . 26022 1 82 . 1 1 7 7 SER HB2 H 1 3.888 . . . . . . A 7 SER HB2 . 26022 1 83 . 1 1 7 7 SER HB3 H 1 3.888 . . . . . . A 7 SER HB3 . 26022 1 84 . 1 1 7 7 SER C C 13 174.609 . . . . . . A 7 SER C . 26022 1 85 . 1 1 7 7 SER CA C 13 58.684 . . . . . . A 7 SER CA . 26022 1 86 . 1 1 7 7 SER CB C 13 63.608 . . . . . . A 7 SER CB . 26022 1 87 . 1 1 7 7 SER N N 15 115.822 . . . . . . A 7 SER N . 26022 1 88 . 1 1 8 8 LYS H H 1 8.201 . . . . . . A 8 LYS H . 26022 1 89 . 1 1 8 8 LYS HA H 1 4.407 . . . . . . A 8 LYS HA . 26022 1 90 . 1 1 8 8 LYS HB2 H 1 1.919 . . . . . . A 8 LYS HB2 . 26022 1 91 . 1 1 8 8 LYS HB3 H 1 1.919 . . . . . . A 8 LYS HB3 . 26022 1 92 . 1 1 8 8 LYS HG2 H 1 1.450 . . . . . . A 8 LYS HG2 . 26022 1 93 . 1 1 8 8 LYS HG3 H 1 1.450 . . . . . . A 8 LYS HG3 . 26022 1 94 . 1 1 8 8 LYS HD2 H 1 1.671 . . . . . . A 8 LYS HD2 . 26022 1 95 . 1 1 8 8 LYS HD3 H 1 1.671 . . . . . . A 8 LYS HD3 . 26022 1 96 . 1 1 8 8 LYS HE2 H 1 2.973 . . . . . . A 8 LYS HE2 . 26022 1 97 . 1 1 8 8 LYS HE3 H 1 2.973 . . . . . . A 8 LYS HE3 . 26022 1 98 . 1 1 8 8 LYS C C 13 176.694 . . . . . . A 8 LYS C . 26022 1 99 . 1 1 8 8 LYS CA C 13 56.390 . . . . . . A 8 LYS CA . 26022 1 100 . 1 1 8 8 LYS CB C 13 33.185 . . . . . . A 8 LYS CB . 26022 1 101 . 1 1 8 8 LYS CG C 13 24.788 . . . . . . A 8 LYS CG . 26022 1 102 . 1 1 8 8 LYS CD C 13 29.123 . . . . . . A 8 LYS CD . 26022 1 103 . 1 1 8 8 LYS CE C 13 42.193 . . . . . . A 8 LYS CE . 26022 1 104 . 1 1 8 8 LYS N N 15 122.643 . . . . . . A 8 LYS N . 26022 1 105 . 1 1 9 9 THR H H 1 8.117 . . . . . . A 9 THR H . 26022 1 106 . 1 1 9 9 THR HA H 1 4.341 . . . . . . A 9 THR HA . 26022 1 107 . 1 1 9 9 THR HB H 1 4.237 . . . . . . A 9 THR HB . 26022 1 108 . 1 1 9 9 THR HG21 H 1 1.134 . . . . . . A 9 THR HG21 . 26022 1 109 . 1 1 9 9 THR HG22 H 1 1.134 . . . . . . A 9 THR HG22 . 26022 1 110 . 1 1 9 9 THR HG23 H 1 1.134 . . . . . . A 9 THR HG23 . 26022 1 111 . 1 1 9 9 THR C C 13 173.438 . . . . . . A 9 THR C . 26022 1 112 . 1 1 9 9 THR CA C 13 62.529 . . . . . . A 9 THR CA . 26022 1 113 . 1 1 9 9 THR CB C 13 69.342 . . . . . . A 9 THR CB . 26022 1 114 . 1 1 9 9 THR CG2 C 13 22.079 . . . . . . A 9 THR CG2 . 26022 1 115 . 1 1 9 9 THR N N 15 113.900 . . . . . . A 9 THR N . 26022 1 116 . 1 1 10 10 LEU H H 1 7.786 . . . . . . A 10 LEU H . 26022 1 117 . 1 1 10 10 LEU HA H 1 4.858 . . . . . . A 10 LEU HA . 26022 1 118 . 1 1 10 10 LEU HB2 H 1 1.585 . . . . . . A 10 LEU HB2 . 26022 1 119 . 1 1 10 10 LEU HB3 H 1 1.307 . . . . . . A 10 LEU HB3 . 26022 1 120 . 1 1 10 10 LEU HG H 1 1.567 . . . . . . A 10 LEU HG . 26022 1 121 . 1 1 10 10 LEU HD11 H 1 0.760 . . . . . . A 10 LEU HD11 . 26022 1 122 . 1 1 10 10 LEU HD12 H 1 0.760 . . . . . . A 10 LEU HD12 . 26022 1 123 . 1 1 10 10 LEU HD13 H 1 0.760 . . . . . . A 10 LEU HD13 . 26022 1 124 . 1 1 10 10 LEU HD21 H 1 0.760 . . . . . . A 10 LEU HD21 . 26022 1 125 . 1 1 10 10 LEU HD22 H 1 0.760 . . . . . . A 10 LEU HD22 . 26022 1 126 . 1 1 10 10 LEU HD23 H 1 0.760 . . . . . . A 10 LEU HD23 . 26022 1 127 . 1 1 10 10 LEU C C 13 175.804 . . . . . . A 10 LEU C . 26022 1 128 . 1 1 10 10 LEU CA C 13 53.759 . . . . . . A 10 LEU CA . 26022 1 129 . 1 1 10 10 LEU CB C 13 44.653 . . . . . . A 10 LEU CB . 26022 1 130 . 1 1 10 10 LEU CG C 13 26.629 . . . . . . A 10 LEU CG . 26022 1 131 . 1 1 10 10 LEU CD1 C 13 25.301 . . . . . . A 10 LEU CD1 . 26022 1 132 . 1 1 10 10 LEU CD2 C 13 23.637 . . . . . . A 10 LEU CD2 . 26022 1 133 . 1 1 10 10 LEU N N 15 124.082 . . . . . . A 10 LEU N . 26022 1 134 . 1 1 11 11 PHE H H 1 8.889 . . . . . . A 11 PHE H . 26022 1 135 . 1 1 11 11 PHE HA H 1 4.862 . . . . . . A 11 PHE HA . 26022 1 136 . 1 1 11 11 PHE HB2 H 1 3.026 . . . . . . A 11 PHE HB2 . 26022 1 137 . 1 1 11 11 PHE HB3 H 1 2.964 . . . . . . A 11 PHE HB3 . 26022 1 138 . 1 1 11 11 PHE HD1 H 1 7.122 . . . . . . A 11 PHE HD1 . 26022 1 139 . 1 1 11 11 PHE HD2 H 1 7.095 . . . . . . A 11 PHE HD2 . 26022 1 140 . 1 1 11 11 PHE HE1 H 1 7.125 . . . . . . A 11 PHE HE1 . 26022 1 141 . 1 1 11 11 PHE HE2 H 1 7.125 . . . . . . A 11 PHE HE2 . 26022 1 142 . 1 1 11 11 PHE C C 13 173.578 . . . . . . A 11 PHE C . 26022 1 143 . 1 1 11 11 PHE CA C 13 56.120 . . . . . . A 11 PHE CA . 26022 1 144 . 1 1 11 11 PHE CB C 13 41.212 . . . . . . A 11 PHE CB . 26022 1 145 . 1 1 11 11 PHE N N 15 120.942 . . . . . . A 11 PHE N . 26022 1 146 . 1 1 12 12 GLU H H 1 8.285 . . . . . . A 12 GLU H . 26022 1 147 . 1 1 12 12 GLU HA H 1 5.539 . . . . . . A 12 GLU HA . 26022 1 148 . 1 1 12 12 GLU HB2 H 1 1.880 . . . . . . A 12 GLU HB2 . 26022 1 149 . 1 1 12 12 GLU HB3 H 1 1.739 . . . . . . A 12 GLU HB3 . 26022 1 150 . 1 1 12 12 GLU HG2 H 1 2.257 . . . . . . A 12 GLU HG2 . 26022 1 151 . 1 1 12 12 GLU HG3 H 1 2.257 . . . . . . A 12 GLU HG3 . 26022 1 152 . 1 1 12 12 GLU C C 13 176.295 . . . . . . A 12 GLU C . 26022 1 153 . 1 1 12 12 GLU CA C 13 54.501 . . . . . . A 12 GLU CA . 26022 1 154 . 1 1 12 12 GLU CB C 13 31.768 . . . . . . A 12 GLU CB . 26022 1 155 . 1 1 12 12 GLU CG C 13 36.233 . . . . . . A 12 GLU CG . 26022 1 156 . 1 1 12 12 GLU N N 15 119.958 . . . . . . A 12 GLU N . 26022 1 157 . 1 1 13 13 VAL H H 1 9.192 . . . . . . A 13 VAL H . 26022 1 158 . 1 1 13 13 VAL HA H 1 4.570 . . . . . . A 13 VAL HA . 26022 1 159 . 1 1 13 13 VAL HB H 1 2.042 . . . . . . A 13 VAL HB . 26022 1 160 . 1 1 13 13 VAL HG11 H 1 0.942 . . . . . . A 13 VAL HG11 . 26022 1 161 . 1 1 13 13 VAL HG12 H 1 0.942 . . . . . . A 13 VAL HG12 . 26022 1 162 . 1 1 13 13 VAL HG13 H 1 0.942 . . . . . . A 13 VAL HG13 . 26022 1 163 . 1 1 13 13 VAL HG21 H 1 0.864 . . . . . . A 13 VAL HG21 . 26022 1 164 . 1 1 13 13 VAL HG22 H 1 0.864 . . . . . . A 13 VAL HG22 . 26022 1 165 . 1 1 13 13 VAL HG23 H 1 0.864 . . . . . . A 13 VAL HG23 . 26022 1 166 . 1 1 13 13 VAL C C 13 173.415 . . . . . . A 13 VAL C . 26022 1 167 . 1 1 13 13 VAL CA C 13 59.696 . . . . . . A 13 VAL CA . 26022 1 168 . 1 1 13 13 VAL CB C 13 36.018 . . . . . . A 13 VAL CB . 26022 1 169 . 1 1 13 13 VAL CG1 C 13 22.147 . . . . . . A 13 VAL CG1 . 26022 1 170 . 1 1 13 13 VAL CG2 C 13 20.725 . . . . . . A 13 VAL CG2 . 26022 1 171 . 1 1 13 13 VAL N N 15 120.742 . . . . . . A 13 VAL N . 26022 1 172 . 1 1 14 14 GLU H H 1 8.492 . . . . . . A 14 GLU H . 26022 1 173 . 1 1 14 14 GLU HA H 1 5.226 . . . . . . A 14 GLU HA . 26022 1 174 . 1 1 14 14 GLU HB2 H 1 1.880 . . . . . . A 14 GLU HB2 . 26022 1 175 . 1 1 14 14 GLU HB3 H 1 1.880 . . . . . . A 14 GLU HB3 . 26022 1 176 . 1 1 14 14 GLU HG2 H 1 2.270 . . . . . . A 14 GLU HG2 . 26022 1 177 . 1 1 14 14 GLU HG3 H 1 2.270 . . . . . . A 14 GLU HG3 . 26022 1 178 . 1 1 14 14 GLU C C 13 176.295 . . . . . . A 14 GLU C . 26022 1 179 . 1 1 14 14 GLU CA C 13 55.243 . . . . . . A 14 GLU CA . 26022 1 180 . 1 1 14 14 GLU CB C 13 32.173 . . . . . . A 14 GLU CB . 26022 1 181 . 1 1 14 14 GLU CG C 13 37.182 . . . . . . A 14 GLU CG . 26022 1 182 . 1 1 14 14 GLU N N 15 122.848 . . . . . . A 14 GLU N . 26022 1 183 . 1 1 15 15 GLY H H 1 8.454 . . . . . . A 15 GLY H . 26022 1 184 . 1 1 15 15 GLY HA2 H 1 4.451 . . . . . . A 15 GLY HA2 . 26022 1 185 . 1 1 15 15 GLY HA3 H 1 3.572 . . . . . . A 15 GLY HA3 . 26022 1 186 . 1 1 15 15 GLY C C 13 170.393 . . . . . . A 15 GLY C . 26022 1 187 . 1 1 15 15 GLY CA C 13 46.002 . . . . . . A 15 GLY CA . 26022 1 188 . 1 1 15 15 GLY N N 15 105.005 . . . . . . A 15 GLY N . 26022 1 189 . 1 1 16 16 ALA H H 1 8.206 . . . . . . A 16 ALA H . 26022 1 190 . 1 1 16 16 ALA HA H 1 5.526 . . . . . . A 16 ALA HA . 26022 1 191 . 1 1 16 16 ALA HB1 H 1 1.268 . . . . . . A 16 ALA HB1 . 26022 1 192 . 1 1 16 16 ALA HB2 H 1 1.268 . . . . . . A 16 ALA HB2 . 26022 1 193 . 1 1 16 16 ALA HB3 H 1 1.268 . . . . . . A 16 ALA HB3 . 26022 1 194 . 1 1 16 16 ALA C C 13 176.834 . . . . . . A 16 ALA C . 26022 1 195 . 1 1 16 16 ALA CA C 13 49.644 . . . . . . A 16 ALA CA . 26022 1 196 . 1 1 16 16 ALA CB C 13 22.054 . . . . . . A 16 ALA CB . 26022 1 197 . 1 1 16 16 ALA N N 15 120.909 . . . . . . A 16 ALA N . 26022 1 198 . 1 1 17 17 VAL H H 1 8.868 . . . . . . A 17 VAL H . 26022 1 199 . 1 1 17 17 VAL HA H 1 4.380 . . . . . . A 17 VAL HA . 26022 1 200 . 1 1 17 17 VAL HB H 1 2.257 . . . . . . A 17 VAL HB . 26022 1 201 . 1 1 17 17 VAL HG11 H 1 0.949 . . . . . . A 17 VAL HG11 . 26022 1 202 . 1 1 17 17 VAL HG12 H 1 0.949 . . . . . . A 17 VAL HG12 . 26022 1 203 . 1 1 17 17 VAL HG13 H 1 0.949 . . . . . . A 17 VAL HG13 . 26022 1 204 . 1 1 17 17 VAL HG21 H 1 0.747 . . . . . . A 17 VAL HG21 . 26022 1 205 . 1 1 17 17 VAL HG22 H 1 0.747 . . . . . . A 17 VAL HG22 . 26022 1 206 . 1 1 17 17 VAL HG23 H 1 0.747 . . . . . . A 17 VAL HG23 . 26022 1 207 . 1 1 17 17 VAL C C 13 178.099 . . . . . . A 17 VAL C . 26022 1 208 . 1 1 17 17 VAL CA C 13 63.608 . . . . . . A 17 VAL CA . 26022 1 209 . 1 1 17 17 VAL CB C 13 32.105 . . . . . . A 17 VAL CB . 26022 1 210 . 1 1 17 17 VAL CG1 C 13 22.350 . . . . . . A 17 VAL CG1 . 26022 1 211 . 1 1 17 17 VAL CG2 C 13 22.350 . . . . . . A 17 VAL CG2 . 26022 1 212 . 1 1 17 17 VAL N N 15 122.567 . . . . . . A 17 VAL N . 26022 1 213 . 1 1 18 18 THR H H 1 9.545 . . . . . . A 18 THR H . 26022 1 214 . 1 1 18 18 THR HA H 1 4.601 . . . . . . A 18 THR HA . 26022 1 215 . 1 1 18 18 THR HB H 1 4.341 . . . . . . A 18 THR HB . 26022 1 216 . 1 1 18 18 THR HG21 H 1 1.190 . . . . . . A 18 THR HG21 . 26022 1 217 . 1 1 18 18 THR HG22 H 1 1.190 . . . . . . A 18 THR HG22 . 26022 1 218 . 1 1 18 18 THR HG23 H 1 1.190 . . . . . . A 18 THR HG23 . 26022 1 219 . 1 1 18 18 THR C C 13 175.312 . . . . . . A 18 THR C . 26022 1 220 . 1 1 18 18 THR CA C 13 61.517 . . . . . . A 18 THR CA . 26022 1 221 . 1 1 18 18 THR CB C 13 69.814 . . . . . . A 18 THR CB . 26022 1 222 . 1 1 18 18 THR CG2 C 13 23.366 . . . . . . A 18 THR CG2 . 26022 1 223 . 1 1 18 18 THR N N 15 120.937 . . . . . . A 18 THR N . 26022 1 224 . 1 1 19 19 ALA H H 1 7.716 . . . . . . A 19 ALA H . 26022 1 225 . 1 1 19 19 ALA HA H 1 4.458 . . . . . . A 19 ALA HA . 26022 1 226 . 1 1 19 19 ALA HB1 H 1 1.370 . . . . . . A 19 ALA HB1 . 26022 1 227 . 1 1 19 19 ALA HB2 H 1 1.370 . . . . . . A 19 ALA HB2 . 26022 1 228 . 1 1 19 19 ALA HB3 H 1 1.370 . . . . . . A 19 ALA HB3 . 26022 1 229 . 1 1 19 19 ALA C C 13 174.703 . . . . . . A 19 ALA C . 26022 1 230 . 1 1 19 19 ALA CA C 13 53.017 . . . . . . A 19 ALA CA . 26022 1 231 . 1 1 19 19 ALA CB C 13 22.054 . . . . . . A 19 ALA CB . 26022 1 232 . 1 1 19 19 ALA N N 15 121.258 . . . . . . A 19 ALA N . 26022 1 233 . 1 1 20 20 LEU H H 1 8.711 . . . . . . A 20 LEU H . 26022 1 234 . 1 1 20 20 LEU HA H 1 4.393 . . . . . . A 20 LEU HA . 26022 1 235 . 1 1 20 20 LEU HB2 H 1 1.658 . . . . . . A 20 LEU HB2 . 26022 1 236 . 1 1 20 20 LEU HB3 H 1 1.658 . . . . . . A 20 LEU HB3 . 26022 1 237 . 1 1 20 20 LEU HG H 1 1.658 . . . . . . A 20 LEU HG . 26022 1 238 . 1 1 20 20 LEU HD11 H 1 0.962 . . . . . . A 20 LEU HD11 . 26022 1 239 . 1 1 20 20 LEU HD12 H 1 0.962 . . . . . . A 20 LEU HD12 . 26022 1 240 . 1 1 20 20 LEU HD13 H 1 0.962 . . . . . . A 20 LEU HD13 . 26022 1 241 . 1 1 20 20 LEU HD21 H 1 0.962 . . . . . . A 20 LEU HD21 . 26022 1 242 . 1 1 20 20 LEU HD22 H 1 0.962 . . . . . . A 20 LEU HD22 . 26022 1 243 . 1 1 20 20 LEU HD23 H 1 0.962 . . . . . . A 20 LEU HD23 . 26022 1 244 . 1 1 20 20 LEU C C 13 175.499 . . . . . . A 20 LEU C . 26022 1 245 . 1 1 20 20 LEU CA C 13 54.839 . . . . . . A 20 LEU CA . 26022 1 246 . 1 1 20 20 LEU CB C 13 41.212 . . . . . . A 20 LEU CB . 26022 1 247 . 1 1 20 20 LEU CG C 13 28.513 . . . . . . A 20 LEU CG . 26022 1 248 . 1 1 20 20 LEU CD1 C 13 24.517 . . . . . . A 20 LEU CD1 . 26022 1 249 . 1 1 20 20 LEU CD2 C 13 22.079 . . . . . . A 20 LEU CD2 . 26022 1 250 . 1 1 20 20 LEU N N 15 123.420 . . . . . . A 20 LEU N . 26022 1 251 . 1 1 21 21 LEU H H 1 7.773 . . . . . . A 21 LEU H . 26022 1 252 . 1 1 21 21 LEU HA H 1 4.714 . . . . . . A 21 LEU HA . 26022 1 253 . 1 1 21 21 LEU HB2 H 1 1.575 . . . . . . A 21 LEU HB2 . 26022 1 254 . 1 1 21 21 LEU HB3 H 1 1.265 . . . . . . A 21 LEU HB3 . 26022 1 255 . 1 1 21 21 LEU HG H 1 1.265 . . . . . . A 21 LEU HG . 26022 1 256 . 1 1 21 21 LEU C C 13 174.328 . . . . . . A 21 LEU C . 26022 1 257 . 1 1 21 21 LEU CA C 13 52.680 . . . . . . A 21 LEU CA . 26022 1 258 . 1 1 21 21 LEU CB C 13 41.684 . . . . . . A 21 LEU CB . 26022 1 259 . 1 1 21 21 LEU N N 15 124.718 . . . . . . A 21 LEU N . 26022 1 260 . 1 1 22 22 PRO HA H 1 4.380 . . . . . . A 22 PRO HA . 26022 1 261 . 1 1 22 22 PRO HB2 H 1 2.375 . . . . . . A 22 PRO HB2 . 26022 1 262 . 1 1 22 22 PRO HB3 H 1 2.375 . . . . . . A 22 PRO HB3 . 26022 1 263 . 1 1 22 22 PRO HG2 H 1 1.932 . . . . . . A 22 PRO HG2 . 26022 1 264 . 1 1 22 22 PRO HG3 H 1 1.932 . . . . . . A 22 PRO HG3 . 26022 1 265 . 1 1 22 22 PRO HD2 H 1 1.515 . . . . . . A 22 PRO HD2 . 26022 1 266 . 1 1 22 22 PRO HD3 H 1 1.515 . . . . . . A 22 PRO HD3 . 26022 1 267 . 1 1 22 22 PRO C C 13 175.616 . . . . . . A 22 PRO C . 26022 1 268 . 1 1 22 22 PRO CA C 13 62.529 . . . . . . A 22 PRO CA . 26022 1 269 . 1 1 22 22 PRO CB C 13 32.240 . . . . . . A 22 PRO CB . 26022 1 270 . 1 1 22 22 PRO CG C 13 27.700 . . . . . . A 22 PRO CG . 26022 1 271 . 1 1 22 22 PRO CD C 13 42.176 . . . . . . A 22 PRO CD . 26022 1 272 . 1 1 23 23 ALA H H 1 8.675 . . . . . . A 23 ALA H . 26022 1 273 . 1 1 23 23 ALA HA H 1 4.302 . . . . . . A 23 ALA HA . 26022 1 274 . 1 1 23 23 ALA HB1 H 1 1.463 . . . . . . A 23 ALA HB1 . 26022 1 275 . 1 1 23 23 ALA HB2 H 1 1.463 . . . . . . A 23 ALA HB2 . 26022 1 276 . 1 1 23 23 ALA HB3 H 1 1.463 . . . . . . A 23 ALA HB3 . 26022 1 277 . 1 1 23 23 ALA C C 13 176.178 . . . . . . A 23 ALA C . 26022 1 278 . 1 1 23 23 ALA CA C 13 52.882 . . . . . . A 23 ALA CA . 26022 1 279 . 1 1 23 23 ALA CB C 13 17.336 . . . . . . A 23 ALA CB . 26022 1 280 . 1 1 23 23 ALA N N 15 120.693 . . . . . . A 23 ALA N . 26022 1 281 . 1 1 24 24 ALA H H 1 8.381 . . . . . . A 24 ALA H . 26022 1 282 . 1 1 24 24 ALA HA H 1 3.820 . . . . . . A 24 ALA HA . 26022 1 283 . 1 1 24 24 ALA HB1 H 1 1.449 . . . . . . A 24 ALA HB1 . 26022 1 284 . 1 1 24 24 ALA HB2 H 1 1.449 . . . . . . A 24 ALA HB2 . 26022 1 285 . 1 1 24 24 ALA HB3 H 1 1.449 . . . . . . A 24 ALA HB3 . 26022 1 286 . 1 1 24 24 ALA C C 13 175.546 . . . . . . A 24 ALA C . 26022 1 287 . 1 1 24 24 ALA CA C 13 52.613 . . . . . . A 24 ALA CA . 26022 1 288 . 1 1 24 24 ALA CB C 13 16.590 . . . . . . A 24 ALA CB . 26022 1 289 . 1 1 24 24 ALA N N 15 115.540 . . . . . . A 24 ALA N . 26022 1 290 . 1 1 25 25 GLU H H 1 6.378 . . . . . . A 25 GLU H . 26022 1 291 . 1 1 25 25 GLU HA H 1 5.148 . . . . . . A 25 GLU HA . 26022 1 292 . 1 1 25 25 GLU HB2 H 1 1.854 . . . . . . A 25 GLU HB2 . 26022 1 293 . 1 1 25 25 GLU HB3 H 1 1.854 . . . . . . A 25 GLU HB3 . 26022 1 294 . 1 1 25 25 GLU HG2 H 1 2.427 . . . . . . A 25 GLU HG2 . 26022 1 295 . 1 1 25 25 GLU HG3 H 1 2.427 . . . . . . A 25 GLU HG3 . 26022 1 296 . 1 1 25 25 GLU C C 13 175.757 . . . . . . A 25 GLU C . 26022 1 297 . 1 1 25 25 GLU CA C 13 54.911 . . . . . . A 25 GLU CA . 26022 1 298 . 1 1 25 25 GLU CB C 13 32.645 . . . . . . A 25 GLU CB . 26022 1 299 . 1 1 25 25 GLU CG C 13 37.791 . . . . . . A 25 GLU CG . 26022 1 300 . 1 1 25 25 GLU N N 15 114.082 . . . . . . A 25 GLU N . 26022 1 301 . 1 1 26 26 PHE H H 1 8.950 . . . . . . A 26 PHE H . 26022 1 302 . 1 1 26 26 PHE HA H 1 4.979 . . . . . . A 26 PHE HA . 26022 1 303 . 1 1 26 26 PHE HB2 H 1 2.388 . . . . . . A 26 PHE HB2 . 26022 1 304 . 1 1 26 26 PHE HB3 H 1 2.388 . . . . . . A 26 PHE HB3 . 26022 1 305 . 1 1 26 26 PHE HD1 H 1 7.013 . . . . . . A 26 PHE HD1 . 26022 1 306 . 1 1 26 26 PHE HD2 H 1 7.027 . . . . . . A 26 PHE HD2 . 26022 1 307 . 1 1 26 26 PHE HE1 H 1 7.193 . . . . . . A 26 PHE HE1 . 26022 1 308 . 1 1 26 26 PHE HE2 H 1 7.193 . . . . . . A 26 PHE HE2 . 26022 1 309 . 1 1 26 26 PHE C C 13 174.960 . . . . . . A 26 PHE C . 26022 1 310 . 1 1 26 26 PHE CA C 13 56.862 . . . . . . A 26 PHE CA . 26022 1 311 . 1 1 26 26 PHE CB C 13 43.371 . . . . . . A 26 PHE CB . 26022 1 312 . 1 1 26 26 PHE N N 15 117.365 . . . . . . A 26 PHE N . 26022 1 313 . 1 1 27 27 ARG H H 1 8.799 . . . . . . A 27 ARG H . 26022 1 314 . 1 1 27 27 ARG HA H 1 4.992 . . . . . . A 27 ARG HA . 26022 1 315 . 1 1 27 27 ARG HB2 H 1 1.910 . . . . . . A 27 ARG HB2 . 26022 1 316 . 1 1 27 27 ARG HB3 H 1 1.910 . . . . . . A 27 ARG HB3 . 26022 1 317 . 1 1 27 27 ARG HG2 H 1 1.462 . . . . . . A 27 ARG HG2 . 26022 1 318 . 1 1 27 27 ARG HG3 H 1 1.462 . . . . . . A 27 ARG HG3 . 26022 1 319 . 1 1 27 27 ARG HD2 H 1 3.182 . . . . . . A 27 ARG HD2 . 26022 1 320 . 1 1 27 27 ARG HD3 H 1 3.182 . . . . . . A 27 ARG HD3 . 26022 1 321 . 1 1 27 27 ARG C C 13 175.148 . . . . . . A 27 ARG C . 26022 1 322 . 1 1 27 27 ARG CA C 13 56.323 . . . . . . A 27 ARG CA . 26022 1 323 . 1 1 27 27 ARG CB C 13 32.240 . . . . . . A 27 ARG CB . 26022 1 324 . 1 1 27 27 ARG CG C 13 28.242 . . . . . . A 27 ARG CG . 26022 1 325 . 1 1 27 27 ARG CD C 13 43.141 . . . . . . A 27 ARG CD . 26022 1 326 . 1 1 27 27 ARG N N 15 125.082 . . . . . . A 27 ARG N . 26022 1 327 . 1 1 28 28 VAL H H 1 9.124 . . . . . . A 28 VAL H . 26022 1 328 . 1 1 28 28 VAL HA H 1 4.757 . . . . . . A 28 VAL HA . 26022 1 329 . 1 1 28 28 VAL HB H 1 1.749 . . . . . . A 28 VAL HB . 26022 1 330 . 1 1 28 28 VAL HG11 H 1 0.672 . . . . . . A 28 VAL HG11 . 26022 1 331 . 1 1 28 28 VAL HG12 H 1 0.672 . . . . . . A 28 VAL HG12 . 26022 1 332 . 1 1 28 28 VAL HG13 H 1 0.672 . . . . . . A 28 VAL HG13 . 26022 1 333 . 1 1 28 28 VAL HG21 H 1 0.460 . . . . . . A 28 VAL HG21 . 26022 1 334 . 1 1 28 28 VAL HG22 H 1 0.460 . . . . . . A 28 VAL HG22 . 26022 1 335 . 1 1 28 28 VAL HG23 H 1 0.460 . . . . . . A 28 VAL HG23 . 26022 1 336 . 1 1 28 28 VAL C C 13 173.602 . . . . . . A 28 VAL C . 26022 1 337 . 1 1 28 28 VAL CA C 13 60.303 . . . . . . A 28 VAL CA . 26022 1 338 . 1 1 28 28 VAL CB C 13 35.681 . . . . . . A 28 VAL CB . 26022 1 339 . 1 1 28 28 VAL CG1 C 13 22.621 . . . . . . A 28 VAL CG1 . 26022 1 340 . 1 1 28 28 VAL CG2 C 13 20.928 . . . . . . A 28 VAL CG2 . 26022 1 341 . 1 1 28 28 VAL N N 15 127.456 . . . . . . A 28 VAL N . 26022 1 342 . 1 1 29 29 LYS H H 1 9.268 . . . . . . A 29 LYS H . 26022 1 343 . 1 1 29 29 LYS HA H 1 4.354 . . . . . . A 29 LYS HA . 26022 1 344 . 1 1 29 29 LYS HB2 H 1 1.763 . . . . . . A 29 LYS HB2 . 26022 1 345 . 1 1 29 29 LYS HB3 H 1 1.763 . . . . . . A 29 LYS HB3 . 26022 1 346 . 1 1 29 29 LYS HD2 H 1 1.710 . . . . . . A 29 LYS HD2 . 26022 1 347 . 1 1 29 29 LYS HD3 H 1 1.671 . . . . . . A 29 LYS HD3 . 26022 1 348 . 1 1 29 29 LYS HE2 H 1 3.000 . . . . . . A 29 LYS HE2 . 26022 1 349 . 1 1 29 29 LYS HE3 H 1 3.000 . . . . . . A 29 LYS HE3 . 26022 1 350 . 1 1 29 29 LYS C C 13 176.740 . . . . . . A 29 LYS C . 26022 1 351 . 1 1 29 29 LYS CA C 13 55.041 . . . . . . A 29 LYS CA . 26022 1 352 . 1 1 29 29 LYS CB C 13 34.062 . . . . . . A 29 LYS CB . 26022 1 353 . 1 1 29 29 LYS CG C 13 24.653 . . . . . . A 29 LYS CG . 26022 1 354 . 1 1 29 29 LYS CD C 13 29.393 . . . . . . A 29 LYS CD . 26022 1 355 . 1 1 29 29 LYS N N 15 128.096 . . . . . . A 29 LYS N . 26022 1 356 . 1 1 30 30 LEU H H 1 9.000 . . . . . . A 30 LEU H . 26022 1 357 . 1 1 30 30 LEU HA H 1 4.653 . . . . . . A 30 LEU HA . 26022 1 358 . 1 1 30 30 LEU HB2 H 1 2.270 . . . . . . A 30 LEU HB2 . 26022 1 359 . 1 1 30 30 LEU HB3 H 1 2.270 . . . . . . A 30 LEU HB3 . 26022 1 360 . 1 1 30 30 LEU HG H 1 1.476 . . . . . . A 30 LEU HG . 26022 1 361 . 1 1 30 30 LEU HD11 H 1 0.553 . . . . . . A 30 LEU HD11 . 26022 1 362 . 1 1 30 30 LEU HD12 H 1 0.553 . . . . . . A 30 LEU HD12 . 26022 1 363 . 1 1 30 30 LEU HD13 H 1 0.553 . . . . . . A 30 LEU HD13 . 26022 1 364 . 1 1 30 30 LEU HD21 H 1 0.553 . . . . . . A 30 LEU HD21 . 26022 1 365 . 1 1 30 30 LEU HD22 H 1 0.553 . . . . . . A 30 LEU HD22 . 26022 1 366 . 1 1 30 30 LEU HD23 H 1 0.553 . . . . . . A 30 LEU HD23 . 26022 1 367 . 1 1 30 30 LEU C C 13 178.193 . . . . . . A 30 LEU C . 26022 1 368 . 1 1 30 30 LEU CA C 13 54.771 . . . . . . A 30 LEU CA . 26022 1 369 . 1 1 30 30 LEU CB C 13 42.224 . . . . . . A 30 LEU CB . 26022 1 370 . 1 1 30 30 LEU CG C 13 25.536 . . . . . . A 30 LEU CG . 26022 1 371 . 1 1 30 30 LEU CD1 C 13 21.944 . . . . . . A 30 LEU CD1 . 26022 1 372 . 1 1 30 30 LEU CD2 C 13 21.944 . . . . . . A 30 LEU CD2 . 26022 1 373 . 1 1 30 30 LEU N N 15 129.600 . . . . . . A 30 LEU N . 26022 1 374 . 1 1 31 31 ASP H H 1 8.698 . . . . . . A 31 ASP H . 26022 1 375 . 1 1 31 31 ASP HA H 1 4.458 . . . . . . A 31 ASP HA . 26022 1 376 . 1 1 31 31 ASP HB2 H 1 2.817 . . . . . . A 31 ASP HB2 . 26022 1 377 . 1 1 31 31 ASP HB3 H 1 2.661 . . . . . . A 31 ASP HB3 . 26022 1 378 . 1 1 31 31 ASP C C 13 176.155 . . . . . . A 31 ASP C . 26022 1 379 . 1 1 31 31 ASP CA C 13 55.918 . . . . . . A 31 ASP CA . 26022 1 380 . 1 1 31 31 ASP CB C 13 39.593 . . . . . . A 31 ASP CB . 26022 1 381 . 1 1 31 31 ASP N N 15 120.478 . . . . . . A 31 ASP N . 26022 1 382 . 1 1 32 32 ASN H H 1 7.680 . . . . . . A 32 ASN H . 26022 1 383 . 1 1 32 32 ASN HA H 1 4.588 . . . . . . A 32 ASN HA . 26022 1 384 . 1 1 32 32 ASN HB2 H 1 3.130 . . . . . . A 32 ASN HB2 . 26022 1 385 . 1 1 32 32 ASN HB3 H 1 2.739 . . . . . . A 32 ASN HB3 . 26022 1 386 . 1 1 32 32 ASN C C 13 175.335 . . . . . . A 32 ASN C . 26022 1 387 . 1 1 32 32 ASN CA C 13 53.152 . . . . . . A 32 ASN CA . 26022 1 388 . 1 1 32 32 ASN CB C 13 37.367 . . . . . . A 32 ASN CB . 26022 1 389 . 1 1 32 32 ASN N N 15 115.450 . . . . . . A 32 ASN N . 26022 1 390 . 1 1 33 33 GLU H H 1 8.097 . . . . . . A 33 GLU H . 26022 1 391 . 1 1 33 33 GLU HA H 1 3.898 . . . . . . A 33 GLU HA . 26022 1 392 . 1 1 33 33 GLU HB2 H 1 2.160 . . . . . . A 33 GLU HB2 . 26022 1 393 . 1 1 33 33 GLU HB3 H 1 2.160 . . . . . . A 33 GLU HB3 . 26022 1 394 . 1 1 33 33 GLU HG2 H 1 2.244 . . . . . . A 33 GLU HG2 . 26022 1 395 . 1 1 33 33 GLU HG3 H 1 1.971 . . . . . . A 33 GLU HG3 . 26022 1 396 . 1 1 33 33 GLU C C 13 175.733 . . . . . . A 33 GLU C . 26022 1 397 . 1 1 33 33 GLU CA C 13 58.144 . . . . . . A 33 GLU CA . 26022 1 398 . 1 1 33 33 GLU CB C 13 28.242 . . . . . . A 33 GLU CB . 26022 1 399 . 1 1 33 33 GLU CG C 13 36.629 . . . . . . A 33 GLU CG . 26022 1 400 . 1 1 33 33 GLU N N 15 111.790 . . . . . . A 33 GLU N . 26022 1 401 . 1 1 34 34 HIS H H 1 7.890 . . . . . . A 34 HIS H . 26022 1 402 . 1 1 34 34 HIS HA H 1 4.201 . . . . . . A 34 HIS HA . 26022 1 403 . 1 1 34 34 HIS HB2 H 1 2.147 . . . . . . A 34 HIS HB2 . 26022 1 404 . 1 1 34 34 HIS HB3 H 1 1.857 . . . . . . A 34 HIS HB3 . 26022 1 405 . 1 1 34 34 HIS C C 13 173.789 . . . . . . A 34 HIS C . 26022 1 406 . 1 1 34 34 HIS CA C 13 56.053 . . . . . . A 34 HIS CA . 26022 1 407 . 1 1 34 34 HIS CB C 13 30.487 . . . . . . A 34 HIS CB . 26022 1 408 . 1 1 34 34 HIS N N 15 119.193 . . . . . . A 34 HIS N . 26022 1 409 . 1 1 35 35 GLU HA H 1 5.400 . . . . . . A 35 GLU HA . 26022 1 410 . 1 1 35 35 GLU HB2 H 1 1.915 . . . . . . A 35 GLU HB2 . 26022 1 411 . 1 1 35 35 GLU HB3 H 1 1.915 . . . . . . A 35 GLU HB3 . 26022 1 412 . 1 1 35 35 GLU HG2 H 1 2.243 . . . . . . A 35 GLU HG2 . 26022 1 413 . 1 1 35 35 GLU HG3 H 1 2.243 . . . . . . A 35 GLU HG3 . 26022 1 414 . 1 1 35 35 GLU C C 13 175.944 . . . . . . A 35 GLU C . 26022 1 415 . 1 1 35 35 GLU CA C 13 55.109 . . . . . . A 35 GLU CA . 26022 1 416 . 1 1 35 35 GLU CB C 13 32.308 . . . . . . A 35 GLU CB . 26022 1 417 . 1 1 35 35 GLU CG C 13 37.696 . . . . . . A 35 GLU CG . 26022 1 418 . 1 1 36 36 ILE H H 1 9.066 . . . . . . A 36 ILE H . 26022 1 419 . 1 1 36 36 ILE HA H 1 4.686 . . . . . . A 36 ILE HA . 26022 1 420 . 1 1 36 36 ILE HB H 1 1.867 . . . . . . A 36 ILE HB . 26022 1 421 . 1 1 36 36 ILE HG12 H 1 1.454 . . . . . . A 36 ILE HG12 . 26022 1 422 . 1 1 36 36 ILE HG13 H 1 1.454 . . . . . . A 36 ILE HG13 . 26022 1 423 . 1 1 36 36 ILE HG21 H 1 0.937 . . . . . . A 36 ILE HG21 . 26022 1 424 . 1 1 36 36 ILE HG22 H 1 0.937 . . . . . . A 36 ILE HG22 . 26022 1 425 . 1 1 36 36 ILE HG23 H 1 0.937 . . . . . . A 36 ILE HG23 . 26022 1 426 . 1 1 36 36 ILE HD11 H 1 0.650 . . . . . . A 36 ILE HD1 . 26022 1 427 . 1 1 36 36 ILE HD12 H 1 0.650 . . . . . . A 36 ILE HD1 . 26022 1 428 . 1 1 36 36 ILE HD13 H 1 0.650 . . . . . . A 36 ILE HD1 . 26022 1 429 . 1 1 36 36 ILE C C 13 173.790 . . . . . . A 36 ILE C . 26022 1 430 . 1 1 36 36 ILE CA C 13 59.156 . . . . . . A 36 ILE CA . 26022 1 431 . 1 1 36 36 ILE CB C 13 42.696 . . . . . . A 36 ILE CB . 26022 1 432 . 1 1 36 36 ILE CG1 C 13 26.146 . . . . . . A 36 ILE CG1 . 26022 1 433 . 1 1 36 36 ILE CG2 C 13 17.874 . . . . . . A 36 ILE CG2 . 26022 1 434 . 1 1 36 36 ILE CD1 C 13 15.611 . . . . . . A 36 ILE CD1 . 26022 1 435 . 1 1 36 36 ILE N N 15 119.077 . . . . . . A 36 ILE N . 26022 1 436 . 1 1 37 37 ILE H H 1 8.261 . . . . . . A 37 ILE H . 26022 1 437 . 1 1 37 37 ILE HA H 1 4.778 . . . . . . A 37 ILE HA . 26022 1 438 . 1 1 37 37 ILE HB H 1 1.940 . . . . . . A 37 ILE HB . 26022 1 439 . 1 1 37 37 ILE HG12 H 1 1.606 . . . . . . A 37 ILE HG12 . 26022 1 440 . 1 1 37 37 ILE HG13 H 1 1.212 . . . . . . A 37 ILE HG13 . 26022 1 441 . 1 1 37 37 ILE HG21 H 1 0.832 . . . . . . A 37 ILE HG21 . 26022 1 442 . 1 1 37 37 ILE HG22 H 1 0.832 . . . . . . A 37 ILE HG22 . 26022 1 443 . 1 1 37 37 ILE HG23 H 1 0.832 . . . . . . A 37 ILE HG23 . 26022 1 444 . 1 1 37 37 ILE HD11 H 1 0.878 . . . . . . A 37 ILE HD1 . 26022 1 445 . 1 1 37 37 ILE HD12 H 1 0.878 . . . . . . A 37 ILE HD1 . 26022 1 446 . 1 1 37 37 ILE HD13 H 1 0.878 . . . . . . A 37 ILE HD1 . 26022 1 447 . 1 1 37 37 ILE C C 13 177.057 . . . . . . A 37 ILE C . 26022 1 448 . 1 1 37 37 ILE CA C 13 59.723 . . . . . . A 37 ILE CA . 26022 1 449 . 1 1 37 37 ILE CB C 13 37.949 . . . . . . A 37 ILE CB . 26022 1 450 . 1 1 37 37 ILE CG1 C 13 27.567 . . . . . . A 37 ILE CG1 . 26022 1 451 . 1 1 37 37 ILE CG2 C 13 17.879 . . . . . . A 37 ILE CG2 . 26022 1 452 . 1 1 37 37 ILE N N 15 122.787 . . . . . . A 37 ILE N . 26022 1 453 . 1 1 38 38 CYS H H 1 9.512 . . . . . . A 38 CYS H . 26022 1 454 . 1 1 38 38 CYS HA H 1 5.708 . . . . . . A 38 CYS HA . 26022 1 455 . 1 1 38 38 CYS HB2 H 1 2.779 . . . . . . A 38 CYS HB2 . 26022 1 456 . 1 1 38 38 CYS HB3 H 1 2.542 . . . . . . A 38 CYS HB3 . 26022 1 457 . 1 1 38 38 CYS C C 13 174.258 . . . . . . A 38 CYS C . 26022 1 458 . 1 1 38 38 CYS CA C 13 56.930 . . . . . . A 38 CYS CA . 26022 1 459 . 1 1 38 38 CYS CB C 13 33.252 . . . . . . A 38 CYS CB . 26022 1 460 . 1 1 38 38 CYS N N 15 122.357 . . . . . . A 38 CYS N . 26022 1 461 . 1 1 39 39 HIS H H 1 7.597 . . . . . . A 39 HIS H . 26022 1 462 . 1 1 39 39 HIS HA H 1 5.526 . . . . . . A 39 HIS HA . 26022 1 463 . 1 1 39 39 HIS HB2 H 1 3.533 . . . . . . A 39 HIS HB2 . 26022 1 464 . 1 1 39 39 HIS HB3 H 1 3.416 . . . . . . A 39 HIS HB3 . 26022 1 465 . 1 1 39 39 HIS HD1 H 1 10.280 . . . . . . A 39 HIS HD1 . 26022 1 466 . 1 1 39 39 HIS C C 13 174.516 . . . . . . A 39 HIS C . 26022 1 467 . 1 1 39 39 HIS CA C 13 54.097 . . . . . . A 39 HIS CA . 26022 1 468 . 1 1 39 39 HIS CB C 13 31.701 . . . . . . A 39 HIS CB . 26022 1 469 . 1 1 39 39 HIS N N 15 117.101 . . . . . . A 39 HIS N . 26022 1 470 . 1 1 40 40 VAL H H 1 9.426 . . . . . . A 40 VAL H . 26022 1 471 . 1 1 40 40 VAL HA H 1 4.614 . . . . . . A 40 VAL HA . 26022 1 472 . 1 1 40 40 VAL HB H 1 2.068 . . . . . . A 40 VAL HB . 26022 1 473 . 1 1 40 40 VAL HG11 H 1 0.942 . . . . . . A 40 VAL HG11 . 26022 1 474 . 1 1 40 40 VAL HG12 H 1 0.942 . . . . . . A 40 VAL HG12 . 26022 1 475 . 1 1 40 40 VAL HG13 H 1 0.942 . . . . . . A 40 VAL HG13 . 26022 1 476 . 1 1 40 40 VAL HG21 H 1 0.916 . . . . . . A 40 VAL HG21 . 26022 1 477 . 1 1 40 40 VAL HG22 H 1 0.916 . . . . . . A 40 VAL HG22 . 26022 1 478 . 1 1 40 40 VAL HG23 H 1 0.916 . . . . . . A 40 VAL HG23 . 26022 1 479 . 1 1 40 40 VAL C C 13 175.804 . . . . . . A 40 VAL C . 26022 1 480 . 1 1 40 40 VAL CA C 13 61.382 . . . . . . A 40 VAL CA . 26022 1 481 . 1 1 40 40 VAL CB C 13 33.396 . . . . . . A 40 VAL CB . 26022 1 482 . 1 1 40 40 VAL CG1 C 13 22.418 . . . . . . A 40 VAL CG1 . 26022 1 483 . 1 1 40 40 VAL CG2 C 13 20.657 . . . . . . A 40 VAL CG2 . 26022 1 484 . 1 1 40 40 VAL N N 15 117.923 . . . . . . A 40 VAL N . 26022 1 485 . 1 1 41 41 SER H H 1 8.341 . . . . . . A 41 SER H . 26022 1 486 . 1 1 41 41 SER HA H 1 4.550 . . . . . . A 41 SER HA . 26022 1 487 . 1 1 41 41 SER HB2 H 1 3.859 . . . . . . A 41 SER HB2 . 26022 1 488 . 1 1 41 41 SER HB3 H 1 3.859 . . . . . . A 41 SER HB3 . 26022 1 489 . 1 1 41 41 SER C C 13 174.656 . . . . . . A 41 SER C . 26022 1 490 . 1 1 41 41 SER CA C 13 58.126 . . . . . . A 41 SER CA . 26022 1 491 . 1 1 41 41 SER CB C 13 63.470 . . . . . . A 41 SER CB . 26022 1 492 . 1 1 41 41 SER N N 15 119.242 . . . . . . A 41 SER N . 26022 1 493 . 1 1 42 42 GLY H H 1 8.380 . . . . . . A 42 GLY H . 26022 1 494 . 1 1 42 42 GLY HA2 H 1 4.769 . . . . . . A 42 GLY HA2 . 26022 1 495 . 1 1 42 42 GLY HA3 H 1 3.911 . . . . . . A 42 GLY HA3 . 26022 1 496 . 1 1 42 42 GLY C C 13 173.829 . . . . . . A 42 GLY C . 26022 1 497 . 1 1 42 42 GLY CA C 13 45.257 . . . . . . A 42 GLY CA . 26022 1 498 . 1 1 42 42 GLY N N 15 110.569 . . . . . . A 42 GLY N . 26022 1 499 . 1 1 43 43 LYS HA H 1 3.977 . . . . . . A 43 LYS HA . 26022 1 500 . 1 1 43 43 LYS HB2 H 1 1.857 . . . . . . A 43 LYS HB2 . 26022 1 501 . 1 1 43 43 LYS HB3 H 1 1.857 . . . . . . A 43 LYS HB3 . 26022 1 502 . 1 1 43 43 LYS HG2 H 1 0.864 . . . . . . A 43 LYS HG2 . 26022 1 503 . 1 1 43 43 LYS HG3 H 1 0.864 . . . . . . A 43 LYS HG3 . 26022 1 504 . 1 1 43 43 LYS HD2 H 1 1.684 . . . . . . A 43 LYS HD2 . 26022 1 505 . 1 1 43 43 LYS HD3 H 1 1.684 . . . . . . A 43 LYS HD3 . 26022 1 506 . 1 1 43 43 LYS HE2 H 1 2.987 . . . . . . A 43 LYS HE2 . 26022 1 507 . 1 1 43 43 LYS HE3 H 1 2.987 . . . . . . A 43 LYS HE3 . 26022 1 508 . 1 1 43 43 LYS C C 13 179.363 . . . . . . A 43 LYS C . 26022 1 509 . 1 1 43 43 LYS CA C 13 59.628 . . . . . . A 43 LYS CA . 26022 1 510 . 1 1 43 43 LYS CB C 13 32.510 . . . . . . A 43 LYS CB . 26022 1 511 . 1 1 43 43 LYS CG C 13 25.262 . . . . . . A 43 LYS CG . 26022 1 512 . 1 1 43 43 LYS CD C 13 29.326 . . . . . . A 43 LYS CD . 26022 1 513 . 1 1 43 43 LYS CE C 13 42.058 . . . . . . A 43 LYS CE . 26022 1 514 . 1 1 44 44 VAL H H 1 7.571 . . . . . . A 44 VAL H . 26022 1 515 . 1 1 44 44 VAL HA H 1 3.661 . . . . . . A 44 VAL HA . 26022 1 516 . 1 1 44 44 VAL HB H 1 2.094 . . . . . . A 44 VAL HB . 26022 1 517 . 1 1 44 44 VAL HG11 H 1 0.773 . . . . . . A 44 VAL HG11 . 26022 1 518 . 1 1 44 44 VAL HG12 H 1 0.773 . . . . . . A 44 VAL HG12 . 26022 1 519 . 1 1 44 44 VAL HG13 H 1 0.773 . . . . . . A 44 VAL HG13 . 26022 1 520 . 1 1 44 44 VAL HG21 H 1 0.708 . . . . . . A 44 VAL HG21 . 26022 1 521 . 1 1 44 44 VAL HG22 H 1 0.708 . . . . . . A 44 VAL HG22 . 26022 1 522 . 1 1 44 44 VAL HG23 H 1 0.708 . . . . . . A 44 VAL HG23 . 26022 1 523 . 1 1 44 44 VAL C C 13 179.785 . . . . . . A 44 VAL C . 26022 1 524 . 1 1 44 44 VAL CA C 13 65.425 . . . . . . A 44 VAL CA . 26022 1 525 . 1 1 44 44 VAL CB C 13 31.500 . . . . . . A 44 VAL CB . 26022 1 526 . 1 1 44 44 VAL CG1 C 13 23.095 . . . . . . A 44 VAL CG1 . 26022 1 527 . 1 1 44 44 VAL CG2 C 13 21.605 . . . . . . A 44 VAL CG2 . 26022 1 528 . 1 1 44 44 VAL N N 15 120.404 . . . . . . A 44 VAL N . 26022 1 529 . 1 1 45 45 ARG H H 1 8.608 . . . . . . A 45 ARG H . 26022 1 530 . 1 1 45 45 ARG HA H 1 4.054 . . . . . . A 45 ARG HA . 26022 1 531 . 1 1 45 45 ARG HB2 H 1 1.963 . . . . . . A 45 ARG HB2 . 26022 1 532 . 1 1 45 45 ARG HB3 H 1 1.963 . . . . . . A 45 ARG HB3 . 26022 1 533 . 1 1 45 45 ARG HG2 H 1 1.633 . . . . . . A 45 ARG HG2 . 26022 1 534 . 1 1 45 45 ARG HG3 H 1 1.633 . . . . . . A 45 ARG HG3 . 26022 1 535 . 1 1 45 45 ARG HD2 H 1 3.293 . . . . . . A 45 ARG HD2 . 26022 1 536 . 1 1 45 45 ARG HD3 H 1 3.293 . . . . . . A 45 ARG HD3 . 26022 1 537 . 1 1 45 45 ARG C C 13 179.504 . . . . . . A 45 ARG C . 26022 1 538 . 1 1 45 45 ARG CA C 13 59.669 . . . . . . A 45 ARG CA . 26022 1 539 . 1 1 45 45 ARG CB C 13 30.417 . . . . . . A 45 ARG CB . 26022 1 540 . 1 1 45 45 ARG CG C 13 27.497 . . . . . . A 45 ARG CG . 26022 1 541 . 1 1 45 45 ARG CD C 13 43.548 . . . . . . A 45 ARG CD . 26022 1 542 . 1 1 45 45 ARG N N 15 123.687 . . . . . . A 45 ARG N . 26022 1 543 . 1 1 46 46 ARG H H 1 8.474 . . . . . . A 46 ARG H . 26022 1 544 . 1 1 46 46 ARG HA H 1 4.148 . . . . . . A 46 ARG HA . 26022 1 545 . 1 1 46 46 ARG HB2 H 1 1.884 . . . . . . A 46 ARG HB2 . 26022 1 546 . 1 1 46 46 ARG HB3 H 1 1.884 . . . . . . A 46 ARG HB3 . 26022 1 547 . 1 1 46 46 ARG HG2 H 1 1.658 . . . . . . A 46 ARG HG2 . 26022 1 548 . 1 1 46 46 ARG HG3 H 1 1.658 . . . . . . A 46 ARG HG3 . 26022 1 549 . 1 1 46 46 ARG HD2 H 1 3.299 . . . . . . A 46 ARG HD2 . 26022 1 550 . 1 1 46 46 ARG HD3 H 1 3.299 . . . . . . A 46 ARG HD3 . 26022 1 551 . 1 1 46 46 ARG C C 13 177.396 . . . . . . A 46 ARG C . 26022 1 552 . 1 1 46 46 ARG CA C 13 58.481 . . . . . . A 46 ARG CA . 26022 1 553 . 1 1 46 46 ARG CB C 13 30.554 . . . . . . A 46 ARG CB . 26022 1 554 . 1 1 46 46 ARG CG C 13 28.174 . . . . . . A 46 ARG CG . 26022 1 555 . 1 1 46 46 ARG CD C 13 43.277 . . . . . . A 46 ARG CD . 26022 1 556 . 1 1 46 46 ARG N N 15 118.506 . . . . . . A 46 ARG N . 26022 1 557 . 1 1 47 47 SER H H 1 7.645 . . . . . . A 47 SER H . 26022 1 558 . 1 1 47 47 SER HA H 1 4.393 . . . . . . A 47 SER HA . 26022 1 559 . 1 1 47 47 SER HB2 H 1 4.030 . . . . . . A 47 SER HB2 . 26022 1 560 . 1 1 47 47 SER HB3 H 1 4.030 . . . . . . A 47 SER HB3 . 26022 1 561 . 1 1 47 47 SER C C 13 174.070 . . . . . . A 47 SER C . 26022 1 562 . 1 1 47 47 SER CA C 13 59.696 . . . . . . A 47 SER CA . 26022 1 563 . 1 1 47 47 SER CB C 13 64.013 . . . . . . A 47 SER CB . 26022 1 564 . 1 1 47 47 SER N N 15 114.263 . . . . . . A 47 SER N . 26022 1 565 . 1 1 48 48 LYS H H 1 7.821 . . . . . . A 48 LYS H . 26022 1 566 . 1 1 48 48 LYS HA H 1 3.990 . . . . . . A 48 LYS HA . 26022 1 567 . 1 1 48 48 LYS HB2 H 1 2.015 . . . . . . A 48 LYS HB2 . 26022 1 568 . 1 1 48 48 LYS HB3 H 1 2.015 . . . . . . A 48 LYS HB3 . 26022 1 569 . 1 1 48 48 LYS HG2 H 1 1.409 . . . . . . A 48 LYS HG2 . 26022 1 570 . 1 1 48 48 LYS HG3 H 1 1.409 . . . . . . A 48 LYS HG3 . 26022 1 571 . 1 1 48 48 LYS HD2 H 1 1.699 . . . . . . A 48 LYS HD2 . 26022 1 572 . 1 1 48 48 LYS HD3 H 1 1.699 . . . . . . A 48 LYS HD3 . 26022 1 573 . 1 1 48 48 LYS HE2 H 1 3.000 . . . . . . A 48 LYS HE2 . 26022 1 574 . 1 1 48 48 LYS HE3 H 1 3.000 . . . . . . A 48 LYS HE3 . 26022 1 575 . 1 1 48 48 LYS C C 13 175.804 . . . . . . A 48 LYS C . 26022 1 576 . 1 1 48 48 LYS CA C 13 57.537 . . . . . . A 48 LYS CA . 26022 1 577 . 1 1 48 48 LYS CB C 13 29.947 . . . . . . A 48 LYS CB . 26022 1 578 . 1 1 48 48 LYS CG C 13 24.924 . . . . . . A 48 LYS CG . 26022 1 579 . 1 1 48 48 LYS CD C 13 29.116 . . . . . . A 48 LYS CD . 26022 1 580 . 1 1 48 48 LYS CE C 13 42.261 . . . . . . A 48 LYS CE . 26022 1 581 . 1 1 48 48 LYS N N 15 115.405 . . . . . . A 48 LYS N . 26022 1 582 . 1 1 49 49 ILE H H 1 7.324 . . . . . . A 49 ILE H . 26022 1 583 . 1 1 49 49 ILE HA H 1 4.041 . . . . . . A 49 ILE HA . 26022 1 584 . 1 1 49 49 ILE HB H 1 1.712 . . . . . . A 49 ILE HB . 26022 1 585 . 1 1 49 49 ILE HG12 H 1 1.317 . . . . . . A 49 ILE HG12 . 26022 1 586 . 1 1 49 49 ILE HG13 H 1 1.317 . . . . . . A 49 ILE HG13 . 26022 1 587 . 1 1 49 49 ILE HG21 H 1 0.812 . . . . . . A 49 ILE HG21 . 26022 1 588 . 1 1 49 49 ILE HG22 H 1 0.812 . . . . . . A 49 ILE HG22 . 26022 1 589 . 1 1 49 49 ILE HG23 H 1 0.812 . . . . . . A 49 ILE HG23 . 26022 1 590 . 1 1 49 49 ILE HD11 H 1 0.760 . . . . . . A 49 ILE HD1 . 26022 1 591 . 1 1 49 49 ILE HD12 H 1 0.760 . . . . . . A 49 ILE HD1 . 26022 1 592 . 1 1 49 49 ILE HD13 H 1 0.760 . . . . . . A 49 ILE HD1 . 26022 1 593 . 1 1 49 49 ILE C C 13 175.125 . . . . . . A 49 ILE C . 26022 1 594 . 1 1 49 49 ILE CA C 13 61.315 . . . . . . A 49 ILE CA . 26022 1 595 . 1 1 49 49 ILE CB C 13 38.919 . . . . . . A 49 ILE CB . 26022 1 596 . 1 1 49 49 ILE CG1 C 13 26.549 . . . . . . A 49 ILE CG1 . 26022 1 597 . 1 1 49 49 ILE CG2 C 13 17.339 . . . . . . A 49 ILE CG2 . 26022 1 598 . 1 1 49 49 ILE CD1 C 13 13.546 . . . . . . A 49 ILE CD1 . 26022 1 599 . 1 1 49 49 ILE N N 15 117.265 . . . . . . A 49 ILE N . 26022 1 600 . 1 1 50 50 ARG H H 1 8.437 . . . . . . A 50 ARG H . 26022 1 601 . 1 1 50 50 ARG HA H 1 4.471 . . . . . . A 50 ARG HA . 26022 1 602 . 1 1 50 50 ARG HB2 H 1 1.710 . . . . . . A 50 ARG HB2 . 26022 1 603 . 1 1 50 50 ARG HB3 H 1 1.710 . . . . . . A 50 ARG HB3 . 26022 1 604 . 1 1 50 50 ARG HG2 H 1 1.475 . . . . . . A 50 ARG HG2 . 26022 1 605 . 1 1 50 50 ARG HG3 H 1 1.475 . . . . . . A 50 ARG HG3 . 26022 1 606 . 1 1 50 50 ARG HD2 H 1 3.174 . . . . . . A 50 ARG HD2 . 26022 1 607 . 1 1 50 50 ARG HD3 H 1 3.174 . . . . . . A 50 ARG HD3 . 26022 1 608 . 1 1 50 50 ARG C C 13 175.007 . . . . . . A 50 ARG C . 26022 1 609 . 1 1 50 50 ARG CA C 13 55.176 . . . . . . A 50 ARG CA . 26022 1 610 . 1 1 50 50 ARG CB C 13 31.026 . . . . . . A 50 ARG CB . 26022 1 611 . 1 1 50 50 ARG CG C 13 27.159 . . . . . . A 50 ARG CG . 26022 1 612 . 1 1 50 50 ARG CD C 13 43.344 . . . . . . A 50 ARG CD . 26022 1 613 . 1 1 50 50 ARG N N 15 126.687 . . . . . . A 50 ARG N . 26022 1 614 . 1 1 51 51 ILE H H 1 8.157 . . . . . . A 51 ILE H . 26022 1 615 . 1 1 51 51 ILE HA H 1 4.276 . . . . . . A 51 ILE HA . 26022 1 616 . 1 1 51 51 ILE HB H 1 2.427 . . . . . . A 51 ILE HB . 26022 1 617 . 1 1 51 51 ILE HG12 H 1 2.010 . . . . . . A 51 ILE HG12 . 26022 1 618 . 1 1 51 51 ILE HG13 H 1 2.010 . . . . . . A 51 ILE HG13 . 26022 1 619 . 1 1 51 51 ILE HG21 H 1 0.395 . . . . . . A 51 ILE HG21 . 26022 1 620 . 1 1 51 51 ILE HG22 H 1 0.395 . . . . . . A 51 ILE HG22 . 26022 1 621 . 1 1 51 51 ILE HG23 H 1 0.395 . . . . . . A 51 ILE HG23 . 26022 1 622 . 1 1 51 51 ILE HD11 H 1 1.307 . . . . . . A 51 ILE HD1 . 26022 1 623 . 1 1 51 51 ILE HD12 H 1 1.307 . . . . . . A 51 ILE HD1 . 26022 1 624 . 1 1 51 51 ILE HD13 H 1 1.307 . . . . . . A 51 ILE HD1 . 26022 1 625 . 1 1 51 51 ILE C C 13 174.726 . . . . . . A 51 ILE C . 26022 1 626 . 1 1 51 51 ILE CA C 13 60.235 . . . . . . A 51 ILE CA . 26022 1 627 . 1 1 51 51 ILE CB C 13 37.772 . . . . . . A 51 ILE CB . 26022 1 628 . 1 1 51 51 ILE CG1 C 13 27.971 . . . . . . A 51 ILE CG1 . 26022 1 629 . 1 1 51 51 ILE CG2 C 13 18.964 . . . . . . A 51 ILE CG2 . 26022 1 630 . 1 1 51 51 ILE CD1 C 13 16.239 . . . . . . A 51 ILE CD1 . 26022 1 631 . 1 1 51 51 ILE N N 15 127.722 . . . . . . A 51 ILE N . 26022 1 632 . 1 1 52 52 ILE H H 1 8.674 . . . . . . A 52 ILE H . 26022 1 633 . 1 1 52 52 ILE HA H 1 4.781 . . . . . . A 52 ILE HA . 26022 1 634 . 1 1 52 52 ILE HB H 1 2.015 . . . . . . A 52 ILE HB . 26022 1 635 . 1 1 52 52 ILE HG12 H 1 1.437 . . . . . . A 52 ILE HG12 . 26022 1 636 . 1 1 52 52 ILE HG13 H 1 1.437 . . . . . . A 52 ILE HG13 . 26022 1 637 . 1 1 52 52 ILE HG21 H 1 0.864 . . . . . . A 52 ILE HG21 . 26022 1 638 . 1 1 52 52 ILE HG22 H 1 0.864 . . . . . . A 52 ILE HG22 . 26022 1 639 . 1 1 52 52 ILE HG23 H 1 0.864 . . . . . . A 52 ILE HG23 . 26022 1 640 . 1 1 52 52 ILE HD11 H 1 0.799 . . . . . . A 52 ILE HD1 . 26022 1 641 . 1 1 52 52 ILE HD12 H 1 0.799 . . . . . . A 52 ILE HD1 . 26022 1 642 . 1 1 52 52 ILE HD13 H 1 0.799 . . . . . . A 52 ILE HD1 . 26022 1 643 . 1 1 52 52 ILE C C 13 175.733 . . . . . . A 52 ILE C . 26022 1 644 . 1 1 52 52 ILE CA C 13 59.021 . . . . . . A 52 ILE CA . 26022 1 645 . 1 1 52 52 ILE CB C 13 42.089 . . . . . . A 52 ILE CB . 26022 1 646 . 1 1 52 52 ILE CG1 C 13 25.195 . . . . . . A 52 ILE CG1 . 26022 1 647 . 1 1 52 52 ILE CG2 C 13 17.610 . . . . . . A 52 ILE CG2 . 26022 1 648 . 1 1 52 52 ILE CD1 C 13 13.973 . . . . . . A 52 ILE CD1 . 26022 1 649 . 1 1 52 52 ILE N N 15 121.888 . . . . . . A 52 ILE N . 26022 1 650 . 1 1 53 53 ILE H H 1 7.891 . . . . . . A 53 ILE H . 26022 1 651 . 1 1 53 53 ILE HA H 1 3.338 . . . . . . A 53 ILE HA . 26022 1 652 . 1 1 53 53 ILE HB H 1 1.697 . . . . . . A 53 ILE HB . 26022 1 653 . 1 1 53 53 ILE HG21 H 1 0.877 . . . . . . A 53 ILE HG21 . 26022 1 654 . 1 1 53 53 ILE HG22 H 1 0.877 . . . . . . A 53 ILE HG22 . 26022 1 655 . 1 1 53 53 ILE HG23 H 1 0.877 . . . . . . A 53 ILE HG23 . 26022 1 656 . 1 1 53 53 ILE HD11 H 1 0.838 . . . . . . A 53 ILE HD1 . 26022 1 657 . 1 1 53 53 ILE HD12 H 1 0.838 . . . . . . A 53 ILE HD1 . 26022 1 658 . 1 1 53 53 ILE HD13 H 1 0.838 . . . . . . A 53 ILE HD1 . 26022 1 659 . 1 1 53 53 ILE C C 13 177.021 . . . . . . A 53 ILE C . 26022 1 660 . 1 1 53 53 ILE CA C 13 64.274 . . . . . . A 53 ILE CA . 26022 1 661 . 1 1 53 53 ILE CB C 13 37.256 . . . . . . A 53 ILE CB . 26022 1 662 . 1 1 53 53 ILE CG1 C 13 29.123 . . . . . . A 53 ILE CG1 . 26022 1 663 . 1 1 53 53 ILE CG2 C 13 17.068 . . . . . . A 53 ILE CG2 . 26022 1 664 . 1 1 53 53 ILE CD1 C 13 12.957 . . . . . . A 53 ILE CD1 . 26022 1 665 . 1 1 53 53 ILE N N 15 119.363 . . . . . . A 53 ILE N . 26022 1 666 . 1 1 54 54 GLY H H 1 8.853 . . . . . . A 54 GLY H . 26022 1 667 . 1 1 54 54 GLY HA2 H 1 4.478 . . . . . . A 54 GLY HA2 . 26022 1 668 . 1 1 54 54 GLY HA3 H 1 3.609 . . . . . . A 54 GLY HA3 . 26022 1 669 . 1 1 54 54 GLY C C 13 174.844 . . . . . . A 54 GLY C . 26022 1 670 . 1 1 54 54 GLY CA C 13 45.188 . . . . . . A 54 GLY CA . 26022 1 671 . 1 1 54 54 GLY N N 15 116.136 . . . . . . A 54 GLY N . 26022 1 672 . 1 1 55 55 ASP H H 1 8.054 . . . . . . A 55 ASP H . 26022 1 673 . 1 1 55 55 ASP HA H 1 4.588 . . . . . . A 55 ASP HA . 26022 1 674 . 1 1 55 55 ASP HB2 H 1 2.843 . . . . . . A 55 ASP HB2 . 26022 1 675 . 1 1 55 55 ASP HB3 H 1 2.226 . . . . . . A 55 ASP HB3 . 26022 1 676 . 1 1 55 55 ASP C C 13 175.804 . . . . . . A 55 ASP C . 26022 1 677 . 1 1 55 55 ASP CA C 13 55.200 . . . . . . A 55 ASP CA . 26022 1 678 . 1 1 55 55 ASP CB C 13 41.048 . . . . . . A 55 ASP CB . 26022 1 679 . 1 1 55 55 ASP N N 15 121.946 . . . . . . A 55 ASP N . 26022 1 680 . 1 1 56 56 ARG H H 1 8.766 . . . . . . A 56 ARG H . 26022 1 681 . 1 1 56 56 ARG HA H 1 5.200 . . . . . . A 56 ARG HA . 26022 1 682 . 1 1 56 56 ARG HB2 H 1 1.725 . . . . . . A 56 ARG HB2 . 26022 1 683 . 1 1 56 56 ARG HB3 H 1 1.725 . . . . . . A 56 ARG HB3 . 26022 1 684 . 1 1 56 56 ARG HD2 H 1 3.234 . . . . . . A 56 ARG HD2 . 26022 1 685 . 1 1 56 56 ARG HD3 H 1 3.234 . . . . . . A 56 ARG HD3 . 26022 1 686 . 1 1 56 56 ARG C C 13 176.483 . . . . . . A 56 ARG C . 26022 1 687 . 1 1 56 56 ARG CA C 13 54.097 . . . . . . A 56 ARG CA . 26022 1 688 . 1 1 56 56 ARG CB C 13 30.689 . . . . . . A 56 ARG CB . 26022 1 689 . 1 1 56 56 ARG CG C 13 26.549 . . . . . . A 56 ARG CG . 26022 1 690 . 1 1 56 56 ARG CD C 13 42.125 . . . . . . A 56 ARG CD . 26022 1 691 . 1 1 56 56 ARG N N 15 120.974 . . . . . . A 56 ARG N . 26022 1 692 . 1 1 57 57 VAL H H 1 8.985 . . . . . . A 57 VAL H . 26022 1 693 . 1 1 57 57 VAL HA H 1 4.965 . . . . . . A 57 VAL HA . 26022 1 694 . 1 1 57 57 VAL HB H 1 1.990 . . . . . . A 57 VAL HB . 26022 1 695 . 1 1 57 57 VAL HG11 H 1 0.669 . . . . . . A 57 VAL HG11 . 26022 1 696 . 1 1 57 57 VAL HG12 H 1 0.669 . . . . . . A 57 VAL HG12 . 26022 1 697 . 1 1 57 57 VAL HG13 H 1 0.669 . . . . . . A 57 VAL HG13 . 26022 1 698 . 1 1 57 57 VAL HG21 H 1 0.447 . . . . . . A 57 VAL HG21 . 26022 1 699 . 1 1 57 57 VAL HG22 H 1 0.447 . . . . . . A 57 VAL HG22 . 26022 1 700 . 1 1 57 57 VAL HG23 H 1 0.447 . . . . . . A 57 VAL HG23 . 26022 1 701 . 1 1 57 57 VAL C C 13 172.243 . . . . . . A 57 VAL C . 26022 1 702 . 1 1 57 57 VAL CA C 13 58.077 . . . . . . A 57 VAL CA . 26022 1 703 . 1 1 57 57 VAL CB C 13 36.288 . . . . . . A 57 VAL CB . 26022 1 704 . 1 1 57 57 VAL CG1 C 13 22.418 . . . . . . A 57 VAL CG1 . 26022 1 705 . 1 1 57 57 VAL CG2 C 13 17.948 . . . . . . A 57 VAL CG2 . 26022 1 706 . 1 1 57 57 VAL N N 15 114.943 . . . . . . A 57 VAL N . 26022 1 707 . 1 1 58 58 LEU H H 1 8.382 . . . . . . A 58 LEU H . 26022 1 708 . 1 1 58 58 LEU HA H 1 4.731 . . . . . . A 58 LEU HA . 26022 1 709 . 1 1 58 58 LEU HB2 H 1 1.776 . . . . . . A 58 LEU HB2 . 26022 1 710 . 1 1 58 58 LEU HB3 H 1 1.776 . . . . . . A 58 LEU HB3 . 26022 1 711 . 1 1 58 58 LEU HG H 1 1.124 . . . . . . A 58 LEU HG . 26022 1 712 . 1 1 58 58 LEU HD11 H 1 0.817 . . . . . . A 58 LEU HD11 . 26022 1 713 . 1 1 58 58 LEU HD12 H 1 0.817 . . . . . . A 58 LEU HD12 . 26022 1 714 . 1 1 58 58 LEU HD13 H 1 0.817 . . . . . . A 58 LEU HD13 . 26022 1 715 . 1 1 58 58 LEU HD21 H 1 0.773 . . . . . . A 58 LEU HD21 . 26022 1 716 . 1 1 58 58 LEU HD22 H 1 0.773 . . . . . . A 58 LEU HD22 . 26022 1 717 . 1 1 58 58 LEU HD23 H 1 0.773 . . . . . . A 58 LEU HD23 . 26022 1 718 . 1 1 58 58 LEU C C 13 174.773 . . . . . . A 58 LEU C . 26022 1 719 . 1 1 58 58 LEU CA C 13 53.085 . . . . . . A 58 LEU CA . 26022 1 720 . 1 1 58 58 LEU CB C 13 45.788 . . . . . . A 58 LEU CB . 26022 1 721 . 1 1 58 58 LEU CG C 13 25.940 . . . . . . A 58 LEU CG . 26022 1 722 . 1 1 58 58 LEU CD1 C 13 23.298 . . . . . . A 58 LEU CD1 . 26022 1 723 . 1 1 58 58 LEU CD2 C 13 23.298 . . . . . . A 58 LEU CD2 . 26022 1 724 . 1 1 58 58 LEU N N 15 122.410 . . . . . . A 58 LEU N . 26022 1 725 . 1 1 59 59 VAL H H 1 9.305 . . . . . . A 59 VAL H . 26022 1 726 . 1 1 59 59 VAL HA H 1 4.744 . . . . . . A 59 VAL HA . 26022 1 727 . 1 1 59 59 VAL HB H 1 1.919 . . . . . . A 59 VAL HB . 26022 1 728 . 1 1 59 59 VAL HG11 H 1 0.656 . . . . . . A 59 VAL HG11 . 26022 1 729 . 1 1 59 59 VAL HG12 H 1 0.656 . . . . . . A 59 VAL HG12 . 26022 1 730 . 1 1 59 59 VAL HG13 H 1 0.656 . . . . . . A 59 VAL HG13 . 26022 1 731 . 1 1 59 59 VAL HG21 H 1 0.656 . . . . . . A 59 VAL HG21 . 26022 1 732 . 1 1 59 59 VAL HG22 H 1 0.656 . . . . . . A 59 VAL HG22 . 26022 1 733 . 1 1 59 59 VAL HG23 H 1 0.656 . . . . . . A 59 VAL HG23 . 26022 1 734 . 1 1 59 59 VAL C C 13 174.141 . . . . . . A 59 VAL C . 26022 1 735 . 1 1 59 59 VAL CA C 13 60.279 . . . . . . A 59 VAL CA . 26022 1 736 . 1 1 59 59 VAL CB C 13 34.399 . . . . . . A 59 VAL CB . 26022 1 737 . 1 1 59 59 VAL CG1 C 13 22.147 . . . . . . A 59 VAL CG1 . 26022 1 738 . 1 1 59 59 VAL CG2 C 13 22.147 . . . . . . A 59 VAL CG2 . 26022 1 739 . 1 1 59 59 VAL N N 15 127.937 . . . . . . A 59 VAL N . 26022 1 740 . 1 1 60 60 GLU H H 1 9.142 . . . . . . A 60 GLU H . 26022 1 741 . 1 1 60 60 GLU HA H 1 5.304 . . . . . . A 60 GLU HA . 26022 1 742 . 1 1 60 60 GLU HB2 H 1 1.945 . . . . . . A 60 GLU HB2 . 26022 1 743 . 1 1 60 60 GLU HB3 H 1 1.945 . . . . . . A 60 GLU HB3 . 26022 1 744 . 1 1 60 60 GLU HG2 H 1 2.095 . . . . . . A 60 GLU HG2 . 26022 1 745 . 1 1 60 60 GLU HG3 H 1 2.127 . . . . . . A 60 GLU HG3 . 26022 1 746 . 1 1 60 60 GLU C C 13 176.155 . . . . . . A 60 GLU C . 26022 1 747 . 1 1 60 60 GLU CA C 13 54.164 . . . . . . A 60 GLU CA . 26022 1 748 . 1 1 60 60 GLU CB C 13 33.803 . . . . . . A 60 GLU CB . 26022 1 749 . 1 1 60 60 GLU CG C 13 37.791 . . . . . . A 60 GLU CG . 26022 1 750 . 1 1 60 60 GLU N N 15 124.832 . . . . . . A 60 GLU N . 26022 1 751 . 1 1 61 61 MET H H 1 8.984 . . . . . . A 61 MET H . 26022 1 752 . 1 1 61 61 MET HA H 1 4.899 . . . . . . A 61 MET HA . 26022 1 753 . 1 1 61 61 MET HB2 H 1 2.101 . . . . . . A 61 MET HB2 . 26022 1 754 . 1 1 61 61 MET HB3 H 1 2.101 . . . . . . A 61 MET HB3 . 26022 1 755 . 1 1 61 61 MET HG2 H 1 2.466 . . . . . . A 61 MET HG2 . 26022 1 756 . 1 1 61 61 MET HG3 H 1 2.466 . . . . . . A 61 MET HG3 . 26022 1 757 . 1 1 61 61 MET C C 13 173.953 . . . . . . A 61 MET C . 26022 1 758 . 1 1 61 61 MET CA C 13 54.232 . . . . . . A 61 MET CA . 26022 1 759 . 1 1 61 61 MET CB C 13 37.256 . . . . . . A 61 MET CB . 26022 1 760 . 1 1 61 61 MET CG C 13 31.357 . . . . . . A 61 MET CG . 26022 1 761 . 1 1 61 61 MET N N 15 124.187 . . . . . . A 61 MET N . 26022 1 762 . 1 1 62 62 SER H H 1 9.167 . . . . . . A 62 SER H . 26022 1 763 . 1 1 62 62 SER HA H 1 4.263 . . . . . . A 62 SER HA . 26022 1 764 . 1 1 62 62 SER HB2 H 1 3.911 . . . . . . A 62 SER HB2 . 26022 1 765 . 1 1 62 62 SER HB3 H 1 3.872 . . . . . . A 62 SER HB3 . 26022 1 766 . 1 1 62 62 SER C C 13 176.413 . . . . . . A 62 SER C . 26022 1 767 . 1 1 62 62 SER CA C 13 56.893 . . . . . . A 62 SER CA . 26022 1 768 . 1 1 62 62 SER CB C 13 65.362 . . . . . . A 62 SER CB . 26022 1 769 . 1 1 62 62 SER N N 15 116.623 . . . . . . A 62 SER N . 26022 1 770 . 1 1 63 63 ILE H H 1 8.604 . . . . . . A 63 ILE H . 26022 1 771 . 1 1 63 63 ILE HA H 1 3.989 . . . . . . A 63 ILE HA . 26022 1 772 . 1 1 63 63 ILE HB H 1 1.725 . . . . . . A 63 ILE HB . 26022 1 773 . 1 1 63 63 ILE HG12 H 1 1.067 . . . . . . A 63 ILE HG12 . 26022 1 774 . 1 1 63 63 ILE HG13 H 1 1.067 . . . . . . A 63 ILE HG13 . 26022 1 775 . 1 1 63 63 ILE HG21 H 1 0.698 . . . . . . A 63 ILE HG21 . 26022 1 776 . 1 1 63 63 ILE HG22 H 1 0.698 . . . . . . A 63 ILE HG22 . 26022 1 777 . 1 1 63 63 ILE HG23 H 1 0.698 . . . . . . A 63 ILE HG23 . 26022 1 778 . 1 1 63 63 ILE HD11 H 1 0.760 . . . . . . A 63 ILE HD1 . 26022 1 779 . 1 1 63 63 ILE HD12 H 1 0.760 . . . . . . A 63 ILE HD1 . 26022 1 780 . 1 1 63 63 ILE HD13 H 1 0.760 . . . . . . A 63 ILE HD1 . 26022 1 781 . 1 1 63 63 ILE C C 13 176.623 . . . . . . A 63 ILE C . 26022 1 782 . 1 1 63 63 ILE CA C 13 63.878 . . . . . . A 63 ILE CA . 26022 1 783 . 1 1 63 63 ILE CB C 13 38.244 . . . . . . A 63 ILE CB . 26022 1 784 . 1 1 63 63 ILE CG1 C 13 27.411 . . . . . . A 63 ILE CG1 . 26022 1 785 . 1 1 63 63 ILE CG2 C 13 17.203 . . . . . . A 63 ILE CG2 . 26022 1 786 . 1 1 63 63 ILE CD1 C 13 13.343 . . . . . . A 63 ILE CD1 . 26022 1 787 . 1 1 63 63 ILE N N 15 121.187 . . . . . . A 63 ILE N . 26022 1 788 . 1 1 64 64 TYR H H 1 7.762 . . . . . . A 64 TYR H . 26022 1 789 . 1 1 64 64 TYR HA H 1 4.432 . . . . . . A 64 TYR HA . 26022 1 790 . 1 1 64 64 TYR HB2 H 1 3.174 . . . . . . A 64 TYR HB2 . 26022 1 791 . 1 1 64 64 TYR HB3 H 1 2.791 . . . . . . A 64 TYR HB3 . 26022 1 792 . 1 1 64 64 TYR HD1 H 1 7.123 . . . . . . A 64 TYR HD1 . 26022 1 793 . 1 1 64 64 TYR HD2 H 1 7.123 . . . . . . A 64 TYR HD2 . 26022 1 794 . 1 1 64 64 TYR HE1 H 1 7.163 . . . . . . A 64 TYR HE1 . 26022 1 795 . 1 1 64 64 TYR HE2 H 1 7.163 . . . . . . A 64 TYR HE2 . 26022 1 796 . 1 1 64 64 TYR C C 13 177.092 . . . . . . A 64 TYR C . 26022 1 797 . 1 1 64 64 TYR CA C 13 59.156 . . . . . . A 64 TYR CA . 26022 1 798 . 1 1 64 64 TYR CB C 13 38.109 . . . . . . A 64 TYR CB . 26022 1 799 . 1 1 64 64 TYR N N 15 120.214 . . . . . . A 64 TYR N . 26022 1 800 . 1 1 65 65 ASP H H 1 7.798 . . . . . . A 65 ASP H . 26022 1 801 . 1 1 65 65 ASP HA H 1 4.495 . . . . . . A 65 ASP HA . 26022 1 802 . 1 1 65 65 ASP HB2 H 1 2.810 . . . . . . A 65 ASP HB2 . 26022 1 803 . 1 1 65 65 ASP HB3 H 1 2.810 . . . . . . A 65 ASP HB3 . 26022 1 804 . 1 1 65 65 ASP C C 13 177.349 . . . . . . A 65 ASP C . 26022 1 805 . 1 1 65 65 ASP CA C 13 55.243 . . . . . . A 65 ASP CA . 26022 1 806 . 1 1 65 65 ASP CB C 13 40.538 . . . . . . A 65 ASP CB . 26022 1 807 . 1 1 65 65 ASP N N 15 121.338 . . . . . . A 65 ASP N . 26022 1 808 . 1 1 66 66 ARG H H 1 8.382 . . . . . . A 66 ARG H . 26022 1 809 . 1 1 66 66 ARG HA H 1 4.069 . . . . . . A 66 ARG HA . 26022 1 810 . 1 1 66 66 ARG HB2 H 1 1.923 . . . . . . A 66 ARG HB2 . 26022 1 811 . 1 1 66 66 ARG HB3 H 1 1.923 . . . . . . A 66 ARG HB3 . 26022 1 812 . 1 1 66 66 ARG HG2 H 1 1.633 . . . . . . A 66 ARG HG2 . 26022 1 813 . 1 1 66 66 ARG HG3 H 1 1.633 . . . . . . A 66 ARG HG3 . 26022 1 814 . 1 1 66 66 ARG HD2 H 1 3.016 . . . . . . A 66 ARG HD2 . 26022 1 815 . 1 1 66 66 ARG HD3 H 1 3.016 . . . . . . A 66 ARG HD3 . 26022 1 816 . 1 1 66 66 ARG C C 13 178.448 . . . . . . A 66 ARG C . 26022 1 817 . 1 1 66 66 ARG CA C 13 58.401 . . . . . . A 66 ARG CA . 26022 1 818 . 1 1 66 66 ARG CB C 13 30.184 . . . . . . A 66 ARG CB . 26022 1 819 . 1 1 66 66 ARG CG C 13 27.020 . . . . . . A 66 ARG CG . 26022 1 820 . 1 1 66 66 ARG CD C 13 43.426 . . . . . . A 66 ARG CD . 26022 1 821 . 1 1 66 66 ARG N N 15 121.118 . . . . . . A 66 ARG N . 26022 1 822 . 1 1 67 67 ASN H H 1 8.194 . . . . . . A 67 ASN H . 26022 1 823 . 1 1 67 67 ASN HA H 1 4.601 . . . . . . A 67 ASN HA . 26022 1 824 . 1 1 67 67 ASN HB2 H 1 2.882 . . . . . . A 67 ASN HB2 . 26022 1 825 . 1 1 67 67 ASN HB3 H 1 2.882 . . . . . . A 67 ASN HB3 . 26022 1 826 . 1 1 67 67 ASN C C 13 175.288 . . . . . . A 67 ASN C . 26022 1 827 . 1 1 67 67 ASN CA C 13 54.097 . . . . . . A 67 ASN CA . 26022 1 828 . 1 1 67 67 ASN CB C 13 38.514 . . . . . . A 67 ASN CB . 26022 1 829 . 1 1 67 67 ASN N N 15 117.334 . . . . . . A 67 ASN N . 26022 1 830 . 1 1 68 68 ALA H H 1 7.658 . . . . . . A 68 ALA H . 26022 1 831 . 1 1 68 68 ALA HA H 1 4.575 . . . . . . A 68 ALA HA . 26022 1 832 . 1 1 68 68 ALA HB1 H 1 1.449 . . . . . . A 68 ALA HB1 . 26022 1 833 . 1 1 68 68 ALA HB2 H 1 1.449 . . . . . . A 68 ALA HB2 . 26022 1 834 . 1 1 68 68 ALA HB3 H 1 1.449 . . . . . . A 68 ALA HB3 . 26022 1 835 . 1 1 68 68 ALA C C 13 176.272 . . . . . . A 68 ALA C . 26022 1 836 . 1 1 68 68 ALA CA C 13 52.478 . . . . . . A 68 ALA CA . 26022 1 837 . 1 1 68 68 ALA CB C 13 19.086 . . . . . . A 68 ALA CB . 26022 1 838 . 1 1 68 68 ALA N N 15 122.187 . . . . . . A 68 ALA N . 26022 1 839 . 1 1 69 69 LYS H H 1 8.255 . . . . . . A 69 LYS H . 26022 1 840 . 1 1 69 69 LYS HA H 1 4.197 . . . . . . A 69 LYS HA . 26022 1 841 . 1 1 69 69 LYS HB2 H 1 2.088 . . . . . . A 69 LYS HB2 . 26022 1 842 . 1 1 69 69 LYS HB3 H 1 2.088 . . . . . . A 69 LYS HB3 . 26022 1 843 . 1 1 69 69 LYS HG2 H 1 1.423 . . . . . . A 69 LYS HG2 . 26022 1 844 . 1 1 69 69 LYS HG3 H 1 1.423 . . . . . . A 69 LYS HG3 . 26022 1 845 . 1 1 69 69 LYS HD2 H 1 1.725 . . . . . . A 69 LYS HD2 . 26022 1 846 . 1 1 69 69 LYS HD3 H 1 1.684 . . . . . . A 69 LYS HD3 . 26022 1 847 . 1 1 69 69 LYS HE2 H 1 2.973 . . . . . . A 69 LYS HE2 . 26022 1 848 . 1 1 69 69 LYS HE3 H 1 2.973 . . . . . . A 69 LYS HE3 . 26022 1 849 . 1 1 69 69 LYS C C 13 176.085 . . . . . . A 69 LYS C . 26022 1 850 . 1 1 69 69 LYS CA C 13 56.728 . . . . . . A 69 LYS CA . 26022 1 851 . 1 1 69 69 LYS CB C 13 31.566 . . . . . . A 69 LYS CB . 26022 1 852 . 1 1 69 69 LYS CG C 13 25.145 . . . . . . A 69 LYS CG . 26022 1 853 . 1 1 69 69 LYS CD C 13 29.364 . . . . . . A 69 LYS CD . 26022 1 854 . 1 1 69 69 LYS CE C 13 41.004 . . . . . . A 69 LYS CE . 26022 1 855 . 1 1 69 69 LYS N N 15 116.931 . . . . . . A 69 LYS N . 26022 1 856 . 1 1 70 70 LYS H H 1 8.182 . . . . . . A 70 LYS H . 26022 1 857 . 1 1 70 70 LYS HA H 1 5.526 . . . . . . A 70 LYS HA . 26022 1 858 . 1 1 70 70 LYS HB2 H 1 1.975 . . . . . . A 70 LYS HB2 . 26022 1 859 . 1 1 70 70 LYS HB3 H 1 1.975 . . . . . . A 70 LYS HB3 . 26022 1 860 . 1 1 70 70 LYS HG2 H 1 1.423 . . . . . . A 70 LYS HG2 . 26022 1 861 . 1 1 70 70 LYS HG3 H 1 1.423 . . . . . . A 70 LYS HG3 . 26022 1 862 . 1 1 70 70 LYS HD2 H 1 1.725 . . . . . . A 70 LYS HD2 . 26022 1 863 . 1 1 70 70 LYS HD3 H 1 1.671 . . . . . . A 70 LYS HD3 . 26022 1 864 . 1 1 70 70 LYS C C 13 175.171 . . . . . . A 70 LYS C . 26022 1 865 . 1 1 70 70 LYS CA C 13 54.704 . . . . . . A 70 LYS CA . 26022 1 866 . 1 1 70 70 LYS CB C 13 36.850 . . . . . . A 70 LYS CB . 26022 1 867 . 1 1 70 70 LYS CG C 13 24.832 . . . . . . A 70 LYS CG . 26022 1 868 . 1 1 70 70 LYS CD C 13 29.286 . . . . . . A 70 LYS CD . 26022 1 869 . 1 1 70 70 LYS N N 15 119.854 . . . . . . A 70 LYS N . 26022 1 870 . 1 1 71 71 GLY H H 1 7.780 . . . . . . A 71 GLY H . 26022 1 871 . 1 1 71 71 GLY HA2 H 1 4.451 . . . . . . A 71 GLY HA2 . 26022 1 872 . 1 1 71 71 GLY HA3 H 1 3.559 . . . . . . A 71 GLY HA3 . 26022 1 873 . 1 1 71 71 GLY C C 13 171.541 . . . . . . A 71 GLY C . 26022 1 874 . 1 1 71 71 GLY CA C 13 45.462 . . . . . . A 71 GLY CA . 26022 1 875 . 1 1 71 71 GLY N N 15 103.604 . . . . . . A 71 GLY N . 26022 1 876 . 1 1 72 72 ARG H H 1 8.007 . . . . . . A 72 ARG H . 26022 1 877 . 1 1 72 72 ARG HA H 1 4.861 . . . . . . A 72 ARG HA . 26022 1 878 . 1 1 72 72 ARG HB2 H 1 1.515 . . . . . . A 72 ARG HB2 . 26022 1 879 . 1 1 72 72 ARG HB3 H 1 1.515 . . . . . . A 72 ARG HB3 . 26022 1 880 . 1 1 72 72 ARG HG2 H 1 1.199 . . . . . . A 72 ARG HG2 . 26022 1 881 . 1 1 72 72 ARG HG3 H 1 1.199 . . . . . . A 72 ARG HG3 . 26022 1 882 . 1 1 72 72 ARG HD2 H 1 3.174 . . . . . . A 72 ARG HD2 . 26022 1 883 . 1 1 72 72 ARG HD3 H 1 3.174 . . . . . . A 72 ARG HD3 . 26022 1 884 . 1 1 72 72 ARG C C 13 175.570 . . . . . . A 72 ARG C . 26022 1 885 . 1 1 72 72 ARG CA C 13 53.624 . . . . . . A 72 ARG CA . 26022 1 886 . 1 1 72 72 ARG CB C 13 34.129 . . . . . . A 72 ARG CB . 26022 1 887 . 1 1 72 72 ARG CG C 13 27.364 . . . . . . A 72 ARG CG . 26022 1 888 . 1 1 72 72 ARG CD C 13 43.679 . . . . . . A 72 ARG CD . 26022 1 889 . 1 1 72 72 ARG N N 15 119.187 . . . . . . A 72 ARG N . 26022 1 890 . 1 1 73 73 ILE H H 1 9.094 . . . . . . A 73 ILE H . 26022 1 891 . 1 1 73 73 ILE HA H 1 4.263 . . . . . . A 73 ILE HA . 26022 1 892 . 1 1 73 73 ILE HB H 1 1.528 . . . . . . A 73 ILE HB . 26022 1 893 . 1 1 73 73 ILE HG21 H 1 0.646 . . . . . . A 73 ILE HG21 . 26022 1 894 . 1 1 73 73 ILE HG22 H 1 0.646 . . . . . . A 73 ILE HG22 . 26022 1 895 . 1 1 73 73 ILE HG23 H 1 0.646 . . . . . . A 73 ILE HG23 . 26022 1 896 . 1 1 73 73 ILE HD11 H 1 0.760 . . . . . . A 73 ILE HD1 . 26022 1 897 . 1 1 73 73 ILE HD12 H 1 0.760 . . . . . . A 73 ILE HD1 . 26022 1 898 . 1 1 73 73 ILE HD13 H 1 0.760 . . . . . . A 73 ILE HD1 . 26022 1 899 . 1 1 73 73 ILE C C 13 175.312 . . . . . . A 73 ILE C . 26022 1 900 . 1 1 73 73 ILE CA C 13 62.259 . . . . . . A 73 ILE CA . 26022 1 901 . 1 1 73 73 ILE CB C 13 39.423 . . . . . . A 73 ILE CB . 26022 1 902 . 1 1 73 73 ILE CG1 C 13 28.739 . . . . . . A 73 ILE CG1 . 26022 1 903 . 1 1 73 73 ILE CG2 C 13 16.473 . . . . . . A 73 ILE CG2 . 26022 1 904 . 1 1 73 73 ILE CD1 C 13 13.973 . . . . . . A 73 ILE CD1 . 26022 1 905 . 1 1 73 73 ILE N N 15 125.721 . . . . . . A 73 ILE N . 26022 1 906 . 1 1 74 74 ILE H H 1 8.740 . . . . . . A 74 ILE H . 26022 1 907 . 1 1 74 74 ILE HA H 1 4.596 . . . . . . A 74 ILE HA . 26022 1 908 . 1 1 74 74 ILE HB H 1 1.976 . . . . . . A 74 ILE HB . 26022 1 909 . 1 1 74 74 ILE HG12 H 1 1.107 . . . . . . A 74 ILE HG12 . 26022 1 910 . 1 1 74 74 ILE HG13 H 1 1.107 . . . . . . A 74 ILE HG13 . 26022 1 911 . 1 1 74 74 ILE HG21 H 1 0.870 . . . . . . A 74 ILE HG21 . 26022 1 912 . 1 1 74 74 ILE HG22 H 1 0.870 . . . . . . A 74 ILE HG22 . 26022 1 913 . 1 1 74 74 ILE HG23 H 1 0.870 . . . . . . A 74 ILE HG23 . 26022 1 914 . 1 1 74 74 ILE HD11 H 1 0.799 . . . . . . A 74 ILE HD1 . 26022 1 915 . 1 1 74 74 ILE HD12 H 1 0.799 . . . . . . A 74 ILE HD1 . 26022 1 916 . 1 1 74 74 ILE HD13 H 1 0.799 . . . . . . A 74 ILE HD1 . 26022 1 917 . 1 1 74 74 ILE C C 13 176.249 . . . . . . A 74 ILE C . 26022 1 918 . 1 1 74 74 ILE CA C 13 60.910 . . . . . . A 74 ILE CA . 26022 1 919 . 1 1 74 74 ILE CB C 13 39.863 . . . . . . A 74 ILE CB . 26022 1 920 . 1 1 74 74 ILE CG1 C 13 26.161 . . . . . . A 74 ILE CG1 . 26022 1 921 . 1 1 74 74 ILE CG2 C 13 18.582 . . . . . . A 74 ILE CG2 . 26022 1 922 . 1 1 74 74 ILE CD1 C 13 14.051 . . . . . . A 74 ILE CD1 . 26022 1 923 . 1 1 74 74 ILE N N 15 120.540 . . . . . . A 74 ILE N . 26022 1 924 . 1 1 75 75 ARG H H 1 7.397 . . . . . . A 75 ARG H . 26022 1 925 . 1 1 75 75 ARG HA H 1 4.289 . . . . . . A 75 ARG HA . 26022 1 926 . 1 1 75 75 ARG HB2 H 1 1.697 . . . . . . A 75 ARG HB2 . 26022 1 927 . 1 1 75 75 ARG HB3 H 1 1.515 . . . . . . A 75 ARG HB3 . 26022 1 928 . 1 1 75 75 ARG HG2 H 1 1.190 . . . . . . A 75 ARG HG2 . 26022 1 929 . 1 1 75 75 ARG HG3 H 1 1.190 . . . . . . A 75 ARG HG3 . 26022 1 930 . 1 1 75 75 ARG HD2 H 1 3.091 . . . . . . A 75 ARG HD2 . 26022 1 931 . 1 1 75 75 ARG HD3 H 1 3.091 . . . . . . A 75 ARG HD3 . 26022 1 932 . 1 1 75 75 ARG C C 13 173.883 . . . . . . A 75 ARG C . 26022 1 933 . 1 1 75 75 ARG CA C 13 56.390 . . . . . . A 75 ARG CA . 26022 1 934 . 1 1 75 75 ARG CB C 13 34.669 . . . . . . A 75 ARG CB . 26022 1 935 . 1 1 75 75 ARG CG C 13 27.411 . . . . . . A 75 ARG CG . 26022 1 936 . 1 1 75 75 ARG CD C 13 43.739 . . . . . . A 75 ARG CD . 26022 1 937 . 1 1 75 75 ARG N N 15 118.582 . . . . . . A 75 ARG N . 26022 1 938 . 1 1 76 76 ARG H H 1 9.094 . . . . . . A 76 ARG H . 26022 1 939 . 1 1 76 76 ARG HA H 1 4.609 . . . . . . A 76 ARG HA . 26022 1 940 . 1 1 76 76 ARG HB2 H 1 1.867 . . . . . . A 76 ARG HB2 . 26022 1 941 . 1 1 76 76 ARG HB3 H 1 1.867 . . . . . . A 76 ARG HB3 . 26022 1 942 . 1 1 76 76 ARG HG2 H 1 1.164 . . . . . . A 76 ARG HG2 . 26022 1 943 . 1 1 76 76 ARG HG3 H 1 1.170 . . . . . . A 76 ARG HG3 . 26022 1 944 . 1 1 76 76 ARG HD2 H 1 3.042 . . . . . . A 76 ARG HD2 . 26022 1 945 . 1 1 76 76 ARG HD3 H 1 3.042 . . . . . . A 76 ARG HD3 . 26022 1 946 . 1 1 76 76 ARG C C 13 175.312 . . . . . . A 76 ARG C . 26022 1 947 . 1 1 76 76 ARG CA C 13 55.810 . . . . . . A 76 ARG CA . 26022 1 948 . 1 1 76 76 ARG CB C 13 31.094 . . . . . . A 76 ARG CB . 26022 1 949 . 1 1 76 76 ARG CG C 13 27.489 . . . . . . A 76 ARG CG . 26022 1 950 . 1 1 76 76 ARG CD C 13 43.504 . . . . . . A 76 ARG CD . 26022 1 951 . 1 1 76 76 ARG N N 15 125.606 . . . . . . A 76 ARG N . 26022 1 952 . 1 1 77 77 LEU H H 1 8.742 . . . . . . A 77 LEU H . 26022 1 953 . 1 1 77 77 LEU HA H 1 4.372 . . . . . . A 77 LEU HA . 26022 1 954 . 1 1 77 77 LEU HB2 H 1 1.554 . . . . . . A 77 LEU HB2 . 26022 1 955 . 1 1 77 77 LEU HB3 H 1 1.515 . . . . . . A 77 LEU HB3 . 26022 1 956 . 1 1 77 77 LEU HG H 1 1.411 . . . . . . A 77 LEU HG . 26022 1 957 . 1 1 77 77 LEU HD11 H 1 0.773 . . . . . . A 77 LEU HD11 . 26022 1 958 . 1 1 77 77 LEU HD12 H 1 0.773 . . . . . . A 77 LEU HD12 . 26022 1 959 . 1 1 77 77 LEU HD13 H 1 0.773 . . . . . . A 77 LEU HD13 . 26022 1 960 . 1 1 77 77 LEU HD21 H 1 0.747 . . . . . . A 77 LEU HD21 . 26022 1 961 . 1 1 77 77 LEU HD22 H 1 0.747 . . . . . . A 77 LEU HD22 . 26022 1 962 . 1 1 77 77 LEU HD23 H 1 0.747 . . . . . . A 77 LEU HD23 . 26022 1 963 . 1 1 77 77 LEU C C 13 176.225 . . . . . . A 77 LEU C . 26022 1 964 . 1 1 77 77 LEU CA C 13 54.704 . . . . . . A 77 LEU CA . 26022 1 965 . 1 1 77 77 LEU CB C 13 42.292 . . . . . . A 77 LEU CB . 26022 1 966 . 1 1 77 77 LEU CG C 13 25.614 . . . . . . A 77 LEU CG . 26022 1 967 . 1 1 77 77 LEU CD1 C 13 22.567 . . . . . . A 77 LEU CD1 . 26022 1 968 . 1 1 77 77 LEU CD2 C 13 22.567 . . . . . . A 77 LEU CD2 . 26022 1 969 . 1 1 77 77 LEU N N 15 128.575 . . . . . . A 77 LEU N . 26022 1 970 . 1 1 78 78 LYS H H 1 8.090 . . . . . . A 78 LYS H . 26022 1 971 . 1 1 78 78 LYS HA H 1 4.302 . . . . . . A 78 LYS HA . 26022 1 972 . 1 1 78 78 LYS HB2 H 1 1.763 . . . . . . A 78 LYS HB2 . 26022 1 973 . 1 1 78 78 LYS HB3 H 1 1.763 . . . . . . A 78 LYS HB3 . 26022 1 974 . 1 1 78 78 LYS HD2 H 1 1.684 . . . . . . A 78 LYS HD2 . 26022 1 975 . 1 1 78 78 LYS HD3 H 1 1.684 . . . . . . A 78 LYS HD3 . 26022 1 976 . 1 1 78 78 LYS HE2 H 1 2.960 . . . . . . A 78 LYS HE2 . 26022 1 977 . 1 1 78 78 LYS HE3 H 1 2.960 . . . . . . A 78 LYS HE3 . 26022 1 978 . 1 1 78 78 LYS C C 13 176.296 . . . . . . A 78 LYS C . 26022 1 979 . 1 1 78 78 LYS CA C 13 56.390 . . . . . . A 78 LYS CA . 26022 1 980 . 1 1 78 78 LYS CB C 13 33.994 . . . . . . A 78 LYS CB . 26022 1 981 . 1 1 78 78 LYS CG C 13 24.520 . . . . . . A 78 LYS CG . 26022 1 982 . 1 1 78 78 LYS CD C 13 29.129 . . . . . . A 78 LYS CD . 26022 1 983 . 1 1 78 78 LYS CE C 13 40.692 . . . . . . A 78 LYS CE . 26022 1 984 . 1 1 78 78 LYS N N 15 119.592 . . . . . . A 78 LYS N . 26022 1 985 . 1 1 79 79 GLY H H 1 8.520 . . . . . . A 79 GLY H . 26022 1 986 . 1 1 79 79 GLY HA2 H 1 4.289 . . . . . . A 79 GLY HA2 . 26022 1 987 . 1 1 79 79 GLY HA3 H 1 3.937 . . . . . . A 79 GLY HA3 . 26022 1 988 . 1 1 79 79 GLY C C 13 174.328 . . . . . . A 79 GLY C . 26022 1 989 . 1 1 79 79 GLY CA C 13 44.990 . . . . . . A 79 GLY CA . 26022 1 990 . 1 1 79 79 GLY N N 15 110.854 . . . . . . A 79 GLY N . 26022 1 991 . 1 1 80 80 THR H H 1 8.348 . . . . . . A 80 THR H . 26022 1 992 . 1 1 80 80 THR HA H 1 4.237 . . . . . . A 80 THR HA . 26022 1 993 . 1 1 80 80 THR HB H 1 4.237 . . . . . . A 80 THR HB . 26022 1 994 . 1 1 80 80 THR HG21 H 1 1.199 . . . . . . A 80 THR HG21 . 26022 1 995 . 1 1 80 80 THR HG22 H 1 1.199 . . . . . . A 80 THR HG22 . 26022 1 996 . 1 1 80 80 THR HG23 H 1 1.199 . . . . . . A 80 THR HG23 . 26022 1 997 . 1 1 80 80 THR C C 13 175.054 . . . . . . A 80 THR C . 26022 1 998 . 1 1 80 80 THR CA C 13 62.242 . . . . . . A 80 THR CA . 26022 1 999 . 1 1 80 80 THR CB C 13 69.826 . . . . . . A 80 THR CB . 26022 1 1000 . 1 1 80 80 THR CG2 C 13 21.473 . . . . . . A 80 THR CG2 . 26022 1 1001 . 1 1 80 80 THR N N 15 114.187 . . . . . . A 80 THR N . 26022 1 1002 . 1 1 81 81 SER H H 1 8.474 . . . . . . A 81 SER H . 26022 1 1003 . 1 1 81 81 SER HA H 1 4.449 . . . . . . A 81 SER HA . 26022 1 1004 . 1 1 81 81 SER HB2 H 1 3.874 . . . . . . A 81 SER HB2 . 26022 1 1005 . 1 1 81 81 SER HB3 H 1 3.874 . . . . . . A 81 SER HB3 . 26022 1 1006 . 1 1 81 81 SER C C 13 174.703 . . . . . . A 81 SER C . 26022 1 1007 . 1 1 81 81 SER CA C 13 58.481 . . . . . . A 81 SER CA . 26022 1 1008 . 1 1 81 81 SER CB C 13 63.338 . . . . . . A 81 SER CB . 26022 1 1009 . 1 1 81 81 SER N N 15 117.958 . . . . . . A 81 SER N . 26022 1 1010 . 1 1 82 82 ASP HA H 1 4.280 . . . . . . A 82 ASP HA . 26022 1 1011 . 1 1 82 82 ASP HB2 H 1 1.554 . . . . . . A 82 ASP HB2 . 26022 1 1012 . 1 1 82 82 ASP HB3 H 1 1.515 . . . . . . A 82 ASP HB3 . 26022 1 1013 . 1 1 82 82 ASP C C 13 177.115 . . . . . . A 82 ASP C . 26022 1 1014 . 1 1 82 82 ASP CA C 13 55.176 . . . . . . A 82 ASP CA . 26022 1 1015 . 1 1 82 82 ASP CB C 13 42.359 . . . . . . A 82 ASP CB . 26022 1 1016 . 1 1 83 83 ARG H H 1 8.259 . . . . . . A 83 ARG H . 26022 1 1017 . 1 1 83 83 ARG HA H 1 4.346 . . . . . . A 83 ARG HA . 26022 1 1018 . 1 1 83 83 ARG HB2 H 1 1.855 . . . . . . A 83 ARG HB2 . 26022 1 1019 . 1 1 83 83 ARG HB3 H 1 1.854 . . . . . . A 83 ARG HB3 . 26022 1 1020 . 1 1 83 83 ARG HG2 H 1 1.633 . . . . . . A 83 ARG HG2 . 26022 1 1021 . 1 1 83 83 ARG HG3 H 1 1.633 . . . . . . A 83 ARG HG3 . 26022 1 1022 . 1 1 83 83 ARG HD2 H 1 3.182 . . . . . . A 83 ARG HD2 . 26022 1 1023 . 1 1 83 83 ARG HD3 H 1 3.182 . . . . . . A 83 ARG HD3 . 26022 1 1024 . 1 1 83 83 ARG C C 13 176.342 . . . . . . A 83 ARG C . 26022 1 1025 . 1 1 83 83 ARG CA C 13 56.053 . . . . . . A 83 ARG CA . 26022 1 1026 . 1 1 83 83 ARG CB C 13 30.891 . . . . . . A 83 ARG CB . 26022 1 1027 . 1 1 83 83 ARG CG C 13 27.098 . . . . . . A 83 ARG CG . 26022 1 1028 . 1 1 83 83 ARG CD C 13 43.270 . . . . . . A 83 ARG CD . 26022 1 1029 . 1 1 83 83 ARG N N 15 121.531 . . . . . . A 83 ARG N . 26022 1 1030 . 1 1 84 84 THR H H 1 8.273 . . . . . . A 84 THR H . 26022 1 1031 . 1 1 84 84 THR HA H 1 4.333 . . . . . . A 84 THR HA . 26022 1 1032 . 1 1 84 84 THR HB H 1 4.148 . . . . . . A 84 THR HB . 26022 1 1033 . 1 1 84 84 THR HG21 H 1 1.172 . . . . . . A 84 THR HG21 . 26022 1 1034 . 1 1 84 84 THR HG22 H 1 1.172 . . . . . . A 84 THR HG22 . 26022 1 1035 . 1 1 84 84 THR HG23 H 1 1.172 . . . . . . A 84 THR HG23 . 26022 1 1036 . 1 1 84 84 THR C C 13 174.445 . . . . . . A 84 THR C . 26022 1 1037 . 1 1 84 84 THR CA C 13 62.254 . . . . . . A 84 THR CA . 26022 1 1038 . 1 1 84 84 THR CB C 13 69.833 . . . . . . A 84 THR CB . 26022 1 1039 . 1 1 84 84 THR CG2 C 13 21.707 . . . . . . A 84 THR CG2 . 26022 1 1040 . 1 1 84 84 THR N N 15 116.462 . . . . . . A 84 THR N . 26022 1 1041 . 1 1 85 85 ILE H H 1 8.225 . . . . . . A 85 ILE H . 26022 1 1042 . 1 1 85 85 ILE HA H 1 4.188 . . . . . . A 85 ILE HA . 26022 1 1043 . 1 1 85 85 ILE HB H 1 1.857 . . . . . . A 85 ILE HB . 26022 1 1044 . 1 1 85 85 ILE HG12 H 1 1.449 . . . . . . A 85 ILE HG12 . 26022 1 1045 . 1 1 85 85 ILE HG13 H 1 1.449 . . . . . . A 85 ILE HG13 . 26022 1 1046 . 1 1 85 85 ILE HG21 H 1 0.825 . . . . . . A 85 ILE HG21 . 26022 1 1047 . 1 1 85 85 ILE HG22 H 1 0.825 . . . . . . A 85 ILE HG22 . 26022 1 1048 . 1 1 85 85 ILE HG23 H 1 0.825 . . . . . . A 85 ILE HG23 . 26022 1 1049 . 1 1 85 85 ILE HD11 H 1 0.825 . . . . . . A 85 ILE HD1 . 26022 1 1050 . 1 1 85 85 ILE HD12 H 1 0.825 . . . . . . A 85 ILE HD1 . 26022 1 1051 . 1 1 85 85 ILE HD13 H 1 0.825 . . . . . . A 85 ILE HD1 . 26022 1 1052 . 1 1 85 85 ILE C C 13 176.155 . . . . . . A 85 ILE C . 26022 1 1053 . 1 1 85 85 ILE CA C 13 61.112 . . . . . . A 85 ILE CA . 26022 1 1054 . 1 1 85 85 ILE CB C 13 38.919 . . . . . . A 85 ILE CB . 26022 1 1055 . 1 1 85 85 ILE CG1 C 13 27.254 . . . . . . A 85 ILE CG1 . 26022 1 1056 . 1 1 85 85 ILE CG2 C 13 17.489 . . . . . . A 85 ILE CG2 . 26022 1 1057 . 1 1 85 85 ILE CD1 C 13 12.801 . . . . . . A 85 ILE CD1 . 26022 1 1058 . 1 1 85 85 ILE N N 15 123.762 . . . . . . A 85 ILE N . 26022 1 1059 . 1 1 86 86 SER H H 1 8.377 . . . . . . A 86 SER H . 26022 1 1060 . 1 1 86 86 SER HA H 1 4.451 . . . . . . A 86 SER HA . 26022 1 1061 . 1 1 86 86 SER HB2 H 1 3.846 . . . . . . A 86 SER HB2 . 26022 1 1062 . 1 1 86 86 SER HB3 H 1 3.846 . . . . . . A 86 SER HB3 . 26022 1 1063 . 1 1 86 86 SER C C 13 174.586 . . . . . . A 86 SER C . 26022 1 1064 . 1 1 86 86 SER CA C 13 58.212 . . . . . . A 86 SER CA . 26022 1 1065 . 1 1 86 86 SER CB C 13 63.271 . . . . . . A 86 SER CB . 26022 1 1066 . 1 1 86 86 SER N N 15 120.214 . . . . . . A 86 SER N . 26022 1 1067 . 1 1 87 87 LYS H H 1 8.358 . . . . . . A 87 LYS H . 26022 1 1068 . 1 1 87 87 LYS HA H 1 4.279 . . . . . . A 87 LYS HA . 26022 1 1069 . 1 1 87 87 LYS HB2 H 1 1.724 . . . . . . A 87 LYS HB2 . 26022 1 1070 . 1 1 87 87 LYS HB3 H 1 1.724 . . . . . . A 87 LYS HB3 . 26022 1 1071 . 1 1 87 87 LYS HG2 H 1 1.383 . . . . . . A 87 LYS HG2 . 26022 1 1072 . 1 1 87 87 LYS HG3 H 1 1.383 . . . . . . A 87 LYS HG3 . 26022 1 1073 . 1 1 87 87 LYS HE2 H 1 2.959 . . . . . . A 87 LYS HE2 . 26022 1 1074 . 1 1 87 87 LYS HE3 H 1 2.959 . . . . . . A 87 LYS HE3 . 26022 1 1075 . 1 1 87 87 LYS C C 13 176.342 . . . . . . A 87 LYS C . 26022 1 1076 . 1 1 87 87 LYS CA C 13 56.390 . . . . . . A 87 LYS CA . 26022 1 1077 . 1 1 87 87 LYS CB C 13 32.915 . . . . . . A 87 LYS CB . 26022 1 1078 . 1 1 87 87 LYS N N 15 123.707 . . . . . . A 87 LYS N . 26022 1 stop_ save_