data_15345 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15345 _Entry.Title ; Solution structure of Blo t 5 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-06-29 _Entry.Accession_date 2007-06-29 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _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.Entry_ID 1 'Siew Leong' Chan . . . 15345 2 'Yu Keung' Mok . . . 15345 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 . 'not applicable' 'not applicable' . 15345 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID '3 helices bundle' . 15345 'Blo t 5' . 15345 'Dust mite allergen' . 15345 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15345 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 346 15345 '15N chemical shifts' 106 15345 '1H chemical shifts' 518 15345 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2008-10-20 2007-06-29 update BMRB 'complete entry citation' 15345 1 . . 2008-08-06 2007-06-29 original author 'original release' 15345 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2JRK 'BMRB Entry Tracking System' 15345 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15345 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18684949 _Citation.Full_citation . _Citation.Title 'Nuclear Magnetic Resonance Structure and IgE Epitopes of Blo t 5, a Major Dust Mite Allergen' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Immunol.' _Citation.Journal_name_full 'The Journal of Immunology' _Citation.Journal_volume 181 _Citation.Journal_issue 4 _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 2586 _Citation.Page_last 2596 _Citation.Year 2008 _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.Entry_ID _Citation_author.Citation_ID 1 'Siew Leong' Chan . . . 15345 1 2 'Tan Ching' Ong . . . 15345 1 3 'Yun Feng' Gao . . . 15345 1 4 'Yuen Sung' Tiong . . . 15345 1 5 'De Yun' Wang . . . 15345 1 6 'Fook Tim' Chew . . . 15345 1 7 'Yu Keung' Mok . . . 15345 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15345 _Assembly.ID 1 _Assembly.Name 'Blo t 5' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 'Blo t 5' 1 $Blo_t_5 A . yes native no no . . . 15345 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Blo_t_5 _Entity.Sf_category entity _Entity.Sf_framecode Blo_t_5 _Entity.Entry_ID 15345 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Blo_t_5 _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 ; KKDDFRNEFDHLLIEQANHA IEKGEHQLLYLQHQLDELNE NKSKELQEKIIRELDVVCAM IEGAQGALERELKRTDLNIL ERFNYEEAQTLSKILLKDLK ETEQKVKDIQTQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 112 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2JMH . "Nmr Solution Structure Of Blo T 5, A Major Mite Allergen From Blomia Tropicalis" . . . . . 100.00 119 100.00 100.00 1.02e-70 . . . . 15345 1 2 no PDB 2JRK . "Nmr Structure And Epitope Mapping Of Blo T 5" . . . . . 100.00 112 100.00 100.00 9.83e-71 . . . . 15345 1 3 no PDB 2MEY . "Rdc Refined Solution Structure Of Blo T 5" . . . . . 100.00 119 100.00 100.00 1.02e-70 . . . . 15345 1 4 no GB AAD10850 . "major IgE-binding protein Blo t 5 [Blomia tropicalis]" . . . . . 100.00 134 100.00 100.00 8.52e-71 . . . . 15345 1 5 no GB ABH06351 . "Blo t 5 allergen [Blomia tropicalis]" . . . . . 100.00 134 100.00 100.00 8.52e-71 . . . . 15345 1 6 no GB ABH06352 . "Blo t 5 allergen [Blomia tropicalis]" . . . . . 100.00 134 100.00 100.00 1.03e-70 . . . . 15345 1 7 no GB ABH06353 . "Blo t 5 allergen [Blomia tropicalis]" . . . . . 100.00 134 100.00 100.00 8.52e-71 . . . . 15345 1 8 no GB ABH06354 . "Blo t 5 allergen [Blomia tropicalis]" . . . . . 100.00 134 100.00 100.00 8.52e-71 . . . . 15345 1 9 no SP O96870 . "RecName: Full=Mite allergen Blo t 5; AltName: Allergen=Blo t 5" . . . . . 100.00 134 100.00 100.00 8.52e-71 . . . . 15345 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 6 LYS . 15345 1 2 7 LYS . 15345 1 3 8 ASP . 15345 1 4 9 ASP . 15345 1 5 10 PHE . 15345 1 6 11 ARG . 15345 1 7 12 ASN . 15345 1 8 13 GLU . 15345 1 9 14 PHE . 15345 1 10 15 ASP . 15345 1 11 16 HIS . 15345 1 12 17 LEU . 15345 1 13 18 LEU . 15345 1 14 19 ILE . 15345 1 15 20 GLU . 15345 1 16 21 GLN . 15345 1 17 22 ALA . 15345 1 18 23 ASN . 15345 1 19 24 HIS . 15345 1 20 25 ALA . 15345 1 21 26 ILE . 15345 1 22 27 GLU . 15345 1 23 28 LYS . 15345 1 24 29 GLY . 15345 1 25 30 GLU . 15345 1 26 31 HIS . 15345 1 27 32 GLN . 15345 1 28 33 LEU . 15345 1 29 34 LEU . 15345 1 30 35 TYR . 15345 1 31 36 LEU . 15345 1 32 37 GLN . 15345 1 33 38 HIS . 15345 1 34 39 GLN . 15345 1 35 40 LEU . 15345 1 36 41 ASP . 15345 1 37 42 GLU . 15345 1 38 43 LEU . 15345 1 39 44 ASN . 15345 1 40 45 GLU . 15345 1 41 46 ASN . 15345 1 42 47 LYS . 15345 1 43 48 SER . 15345 1 44 49 LYS . 15345 1 45 50 GLU . 15345 1 46 51 LEU . 15345 1 47 52 GLN . 15345 1 48 53 GLU . 15345 1 49 54 LYS . 15345 1 50 55 ILE . 15345 1 51 56 ILE . 15345 1 52 57 ARG . 15345 1 53 58 GLU . 15345 1 54 59 LEU . 15345 1 55 60 ASP . 15345 1 56 61 VAL . 15345 1 57 62 VAL . 15345 1 58 63 CYS . 15345 1 59 64 ALA . 15345 1 60 65 MET . 15345 1 61 66 ILE . 15345 1 62 67 GLU . 15345 1 63 68 GLY . 15345 1 64 69 ALA . 15345 1 65 70 GLN . 15345 1 66 71 GLY . 15345 1 67 72 ALA . 15345 1 68 73 LEU . 15345 1 69 74 GLU . 15345 1 70 75 ARG . 15345 1 71 76 GLU . 15345 1 72 77 LEU . 15345 1 73 78 LYS . 15345 1 74 79 ARG . 15345 1 75 80 THR . 15345 1 76 81 ASP . 15345 1 77 82 LEU . 15345 1 78 83 ASN . 15345 1 79 84 ILE . 15345 1 80 85 LEU . 15345 1 81 86 GLU . 15345 1 82 87 ARG . 15345 1 83 88 PHE . 15345 1 84 89 ASN . 15345 1 85 90 TYR . 15345 1 86 91 GLU . 15345 1 87 92 GLU . 15345 1 88 93 ALA . 15345 1 89 94 GLN . 15345 1 90 95 THR . 15345 1 91 96 LEU . 15345 1 92 97 SER . 15345 1 93 98 LYS . 15345 1 94 99 ILE . 15345 1 95 100 LEU . 15345 1 96 101 LEU . 15345 1 97 102 LYS . 15345 1 98 103 ASP . 15345 1 99 104 LEU . 15345 1 100 105 LYS . 15345 1 101 106 GLU . 15345 1 102 107 THR . 15345 1 103 108 GLU . 15345 1 104 109 GLN . 15345 1 105 110 LYS . 15345 1 106 111 VAL . 15345 1 107 112 LYS . 15345 1 108 113 ASP . 15345 1 109 114 ILE . 15345 1 110 115 GLN . 15345 1 111 116 THR . 15345 1 112 117 GLN . 15345 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 . LYS 1 1 15345 1 . LYS 2 2 15345 1 . ASP 3 3 15345 1 . ASP 4 4 15345 1 . PHE 5 5 15345 1 . ARG 6 6 15345 1 . ASN 7 7 15345 1 . GLU 8 8 15345 1 . PHE 9 9 15345 1 . ASP 10 10 15345 1 . HIS 11 11 15345 1 . LEU 12 12 15345 1 . LEU 13 13 15345 1 . ILE 14 14 15345 1 . GLU 15 15 15345 1 . GLN 16 16 15345 1 . ALA 17 17 15345 1 . ASN 18 18 15345 1 . HIS 19 19 15345 1 . ALA 20 20 15345 1 . ILE 21 21 15345 1 . GLU 22 22 15345 1 . LYS 23 23 15345 1 . GLY 24 24 15345 1 . GLU 25 25 15345 1 . HIS 26 26 15345 1 . GLN 27 27 15345 1 . LEU 28 28 15345 1 . LEU 29 29 15345 1 . TYR 30 30 15345 1 . LEU 31 31 15345 1 . GLN 32 32 15345 1 . HIS 33 33 15345 1 . GLN 34 34 15345 1 . LEU 35 35 15345 1 . ASP 36 36 15345 1 . GLU 37 37 15345 1 . LEU 38 38 15345 1 . ASN 39 39 15345 1 . GLU 40 40 15345 1 . ASN 41 41 15345 1 . LYS 42 42 15345 1 . SER 43 43 15345 1 . LYS 44 44 15345 1 . GLU 45 45 15345 1 . LEU 46 46 15345 1 . GLN 47 47 15345 1 . GLU 48 48 15345 1 . LYS 49 49 15345 1 . ILE 50 50 15345 1 . ILE 51 51 15345 1 . ARG 52 52 15345 1 . GLU 53 53 15345 1 . LEU 54 54 15345 1 . ASP 55 55 15345 1 . VAL 56 56 15345 1 . VAL 57 57 15345 1 . CYS 58 58 15345 1 . ALA 59 59 15345 1 . MET 60 60 15345 1 . ILE 61 61 15345 1 . GLU 62 62 15345 1 . GLY 63 63 15345 1 . ALA 64 64 15345 1 . GLN 65 65 15345 1 . GLY 66 66 15345 1 . ALA 67 67 15345 1 . LEU 68 68 15345 1 . GLU 69 69 15345 1 . ARG 70 70 15345 1 . GLU 71 71 15345 1 . LEU 72 72 15345 1 . LYS 73 73 15345 1 . ARG 74 74 15345 1 . THR 75 75 15345 1 . ASP 76 76 15345 1 . LEU 77 77 15345 1 . ASN 78 78 15345 1 . ILE 79 79 15345 1 . LEU 80 80 15345 1 . GLU 81 81 15345 1 . ARG 82 82 15345 1 . PHE 83 83 15345 1 . ASN 84 84 15345 1 . TYR 85 85 15345 1 . GLU 86 86 15345 1 . GLU 87 87 15345 1 . ALA 88 88 15345 1 . GLN 89 89 15345 1 . THR 90 90 15345 1 . LEU 91 91 15345 1 . SER 92 92 15345 1 . LYS 93 93 15345 1 . ILE 94 94 15345 1 . LEU 95 95 15345 1 . LEU 96 96 15345 1 . LYS 97 97 15345 1 . ASP 98 98 15345 1 . LEU 99 99 15345 1 . LYS 100 100 15345 1 . GLU 101 101 15345 1 . THR 102 102 15345 1 . GLU 103 103 15345 1 . GLN 104 104 15345 1 . LYS 105 105 15345 1 . VAL 106 106 15345 1 . LYS 107 107 15345 1 . ASP 108 108 15345 1 . ILE 109 109 15345 1 . GLN 110 110 15345 1 . THR 111 111 15345 1 . GLN 112 112 15345 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 15345 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Blo_t_5 . 40697 organism . 'Blomia tropicalis' 'Blomia tropicalis' . . Eukaryota Metazoa Blomia tropicalis . . . . . . . . . . . . . . . . . . . . . 15345 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 15345 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Blo_t_5 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . pET-M . . . . . . 15345 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_C13_N15 _Sample.Sf_category sample _Sample.Sf_framecode C13_N15 _Sample.Entry_ID 15345 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Blo t 5' '[U-99% 13C; U-99% 15N]' . . 1 $Blo_t_5 . . 2 . . mM . . . . 15345 1 stop_ save_ save_C13 _Sample.Sf_category sample _Sample.Sf_framecode C13 _Sample.Entry_ID 15345 _Sample.ID 2 _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 'Blo t 5' '[U-100% 13C]' . . 1 $Blo_t_5 . . 2 . . mM . . . . 15345 2 stop_ save_ save_N15 _Sample.Sf_category sample _Sample.Sf_framecode N15 _Sample.Entry_ID 15345 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Blo t 5' '[U-99% 15N]' . . 1 $Blo_t_5 . . 2 . . mM . . . . 15345 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 15345 _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' 0 . M 15345 1 pH 7 . pH 15345 1 pressure 1 . atm 15345 1 temperature 298 . K 15345 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 15345 _Software.ID 1 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 15345 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15345 1 'peak picking' 15345 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15345 _Software.ID 2 _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' . . 15345 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15345 2 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 15345 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 15345 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 15345 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 15345 _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 '3D HNCACB' no . . . . . . . . . . 1 $C13_N15 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15345 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $C13_N15 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15345 1 3 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $C13 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15345 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $N15 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15345 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $N15 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15345 1 6 '3D C(CO)NH' no . . . . . . . . . . 1 $C13_N15 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15345 1 7 '3D H(CCO)NH' no . . . . . . . . . . 1 $C13_N15 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15345 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 15345 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl carbons' . . . . ppm 0 external indirect 1 . . . . . . . . . 15345 1 H 1 DSS 'methyl protons' . . . . ppm 0 external indirect 1 . . . . . . . . . 15345 1 N 15 DSS nitrogen . . . . ppm 0 external indirect 1 . . . . . . . . . 15345 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15345 _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 '3D HNCACB' . . . 15345 1 2 '3D CBCA(CO)NH' . . . 15345 1 6 '3D C(CO)NH' . . . 15345 1 7 '3D H(CCO)NH' . . . 15345 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 LYS H H 1 8.587 0.05 . 9 . . . . 6 K HT1 . 15345 1 2 . 1 1 1 1 LYS HA H 1 4.341 0.05 . 9 . . . . 6 K HA . 15345 1 3 . 1 1 1 1 LYS HB2 H 1 1.753 0.05 . 9 . . . . 6 K HB1 . 15345 1 4 . 1 1 1 1 LYS HB3 H 1 1.831 0.05 . 9 . . . . 6 K HB2 . 15345 1 5 . 1 1 1 1 LYS HE2 H 1 2.965 0.05 . 9 . . . . 6 K HE1 . 15345 1 6 . 1 1 1 1 LYS HE3 H 1 2.290 0.05 . 9 . . . . 6 K HE2 . 15345 1 7 . 1 1 1 1 LYS HG2 H 1 1.421 0.05 . 9 . . . . 6 K HG1 . 15345 1 8 . 1 1 1 1 LYS CA C 13 56.701 0.5 . 9 . . . . 6 K CA . 15345 1 9 . 1 1 1 1 LYS CB C 13 33.259 0.5 . 9 . . . . 6 K CB . 15345 1 10 . 1 1 1 1 LYS CD C 13 29.249 0.5 . 9 . . . . 6 K CD . 15345 1 11 . 1 1 1 1 LYS CE C 13 42.243 0.5 . 9 . . . . 6 K CE . 15345 1 12 . 1 1 1 1 LYS CG C 13 24.814 0.5 . 9 . . . . 6 K CG . 15345 1 13 . 1 1 1 1 LYS N N 15 123.589 0.5 . 9 . . . . 6 K N . 15345 1 14 . 1 1 2 2 LYS H H 1 8.388 0.05 . 9 . . . . 7 K HN . 15345 1 15 . 1 1 2 2 LYS HA H 1 4.091 0.05 . 9 . . . . 7 K HA . 15345 1 16 . 1 1 2 2 LYS HB2 H 1 1.724 0.05 . 9 . . . . 7 K HB1 . 15345 1 17 . 1 1 2 2 LYS HB3 H 1 1.652 0.05 . 9 . . . . 7 K HB2 . 15345 1 18 . 1 1 2 2 LYS HE2 H 1 2.944 0.05 . 9 . . . . 7 K HE1 . 15345 1 19 . 1 1 2 2 LYS HG2 H 1 1.328 0.05 . 9 . . . . 7 K HG1 . 15345 1 20 . 1 1 2 2 LYS CA C 13 56.914 0.5 . 9 . . . . 7 K CA . 15345 1 21 . 1 1 2 2 LYS CB C 13 33.025 0.5 . 9 . . . . 7 K CB . 15345 1 22 . 1 1 2 2 LYS CD C 13 29.293 0.5 . 9 . . . . 7 K CD . 15345 1 23 . 1 1 2 2 LYS CE C 13 42.001 0.5 . 9 . . . . 7 K CE . 15345 1 24 . 1 1 2 2 LYS CG C 13 24.693 0.5 . 9 . . . . 7 K CG . 15345 1 25 . 1 1 2 2 LYS N N 15 122.738 0.5 . 9 . . . . 7 K N . 15345 1 26 . 1 1 3 3 ASP H H 1 8.205 0.05 . 9 . . . . 8 D HN . 15345 1 27 . 1 1 3 3 ASP CA C 13 54.792 0.5 . 9 . . . . 8 D CA . 15345 1 28 . 1 1 3 3 ASP CB C 13 41.223 0.5 . 9 . . . . 8 D CB . 15345 1 29 . 1 1 3 3 ASP N N 15 119.811 0.5 . 9 . . . . 8 D N . 15345 1 30 . 1 1 4 4 ASP H H 1 8.024 0.05 . 9 . . . . 9 D HN . 15345 1 31 . 1 1 4 4 ASP HA H 1 4.458 0.05 . 9 . . . . 9 D HA . 15345 1 32 . 1 1 4 4 ASP HB2 H 1 2.602 0.05 . 9 . . . . 9 D HB1 . 15345 1 33 . 1 1 4 4 ASP HB3 H 1 2.485 0.05 . 9 . . . . 9 D HB2 . 15345 1 34 . 1 1 4 4 ASP CA C 13 54.746 0.5 . 9 . . . . 9 D CA . 15345 1 35 . 1 1 4 4 ASP CB C 13 41.156 0.5 . 9 . . . . 9 D CB . 15345 1 36 . 1 1 4 4 ASP N N 15 120.069 0.5 . 9 . . . . 9 D N . 15345 1 37 . 1 1 5 5 PHE H H 1 8.019 0.05 . 9 . . . . 10 F HN . 15345 1 38 . 1 1 5 5 PHE HA H 1 4.582 0.05 . 9 . . . . 10 F HA . 15345 1 39 . 1 1 5 5 PHE HB2 H 1 3.187 0.05 . 9 . . . . 10 F HB1 . 15345 1 40 . 1 1 5 5 PHE HB3 H 1 2.982 0.05 . 9 . . . . 10 F HB2 . 15345 1 41 . 1 1 5 5 PHE CA C 13 58.190 0.5 . 9 . . . . 10 F CA . 15345 1 42 . 1 1 5 5 PHE CB C 13 39.607 0.5 . 9 . . . . 10 F CB . 15345 1 43 . 1 1 5 5 PHE N N 15 119.236 0.5 . 9 . . . . 10 F N . 15345 1 44 . 1 1 6 6 ARG H H 1 8.213 0.05 . 9 . . . . 11 R HN . 15345 1 45 . 1 1 6 6 ARG HA H 1 4.213 0.05 . 9 . . . . 11 R HA . 15345 1 46 . 1 1 6 6 ARG HB2 H 1 1.793 0.05 . 9 . . . . 11 R HB1 . 15345 1 47 . 1 1 6 6 ARG HG2 H 1 1.542 0.05 . 9 . . . . 11 R HG1 . 15345 1 48 . 1 1 6 6 ARG CA C 13 56.944 0.5 . 9 . . . . 11 R CA . 15345 1 49 . 1 1 6 6 ARG CB C 13 30.905 0.5 . 9 . . . . 11 R CB . 15345 1 50 . 1 1 6 6 ARG CD C 13 43.443 0.5 . 9 . . . . 11 R CD . 15345 1 51 . 1 1 6 6 ARG CG C 13 27.282 0.5 . 9 . . . . 11 R CG . 15345 1 52 . 1 1 6 6 ARG N N 15 122.126 0.5 . 9 . . . . 11 R N . 15345 1 53 . 1 1 7 7 ASN H H 1 8.566 0.05 . 9 . . . . 12 N HN . 15345 1 54 . 1 1 7 7 ASN HB2 H 1 2.759 0.05 . 9 . . . . 12 N HB1 . 15345 1 55 . 1 1 7 7 ASN CA C 13 53.399 0.5 . 9 . . . . 12 N CA . 15345 1 56 . 1 1 7 7 ASN CB C 13 39.374 0.5 . 9 . . . . 12 N CB . 15345 1 57 . 1 1 7 7 ASN N N 15 119.057 0.5 . 9 . . . . 12 N N . 15345 1 58 . 1 1 8 8 GLU H H 1 8.542 0.05 . 9 . . . . 13 E HN . 15345 1 59 . 1 1 8 8 GLU HA H 1 4.106 0.05 . 9 . . . . 13 E HA . 15345 1 60 . 1 1 8 8 GLU HB2 H 1 2.007 0.05 . 9 . . . . 13 E HB1 . 15345 1 61 . 1 1 8 8 GLU HB3 H 1 1.841 0.05 . 9 . . . . 13 E HB2 . 15345 1 62 . 1 1 8 8 GLU HG2 H 1 2.057 0.05 . 9 . . . . 13 E HG1 . 15345 1 63 . 1 1 8 8 GLU CA C 13 58.188 0.5 . 9 . . . . 13 E CA . 15345 1 64 . 1 1 8 8 GLU CB C 13 30.040 0.5 . 9 . . . . 13 E CB . 15345 1 65 . 1 1 8 8 GLU CG C 13 36.192 0.5 . 9 . . . . 13 E CG . 15345 1 66 . 1 1 8 8 GLU N N 15 121.912 0.5 . 9 . . . . 13 E N . 15345 1 67 . 1 1 9 9 PHE H H 1 8.130 0.05 . 9 . . . . 14 F HN . 15345 1 68 . 1 1 9 9 PHE CA C 13 58.113 0.5 . 9 . . . . 14 F CA . 15345 1 69 . 1 1 9 9 PHE CB C 13 29.976 0.5 . 9 . . . . 14 F CB . 15345 1 70 . 1 1 9 9 PHE N N 15 118.448 0.5 . 9 . . . . 14 F N . 15345 1 71 . 1 1 16 16 GLN H H 1 8.385 0.05 . 9 . . . . 21 Q HN . 15345 1 72 . 1 1 16 16 GLN HA H 1 3.952 0.05 . 9 . . . . 21 Q HA . 15345 1 73 . 1 1 16 16 GLN CA C 13 59.989 0.5 . 9 . . . . 21 Q CA . 15345 1 74 . 1 1 16 16 GLN CB C 13 29.742 0.5 . 9 . . . . 21 Q CB . 15345 1 75 . 1 1 16 16 GLN CG C 13 36.686 0.5 . 9 . . . . 21 Q CG . 15345 1 76 . 1 1 16 16 GLN N N 15 121.025 0.5 . 9 . . . . 21 Q N . 15345 1 77 . 1 1 17 17 ALA H H 1 7.643 0.05 . 9 . . . . 22 A HN . 15345 1 78 . 1 1 17 17 ALA HA H 1 4.056 0.05 . 9 . . . . 22 A HA . 15345 1 79 . 1 1 17 17 ALA HB1 H 1 1.454 0.05 . 9 . . . . 22 A HB1 . 15345 1 80 . 1 1 17 17 ALA HB2 H 1 1.454 0.05 . 9 . . . . 22 A HB1 . 15345 1 81 . 1 1 17 17 ALA HB3 H 1 1.454 0.05 . 9 . . . . 22 A HB1 . 15345 1 82 . 1 1 17 17 ALA CA C 13 55.280 0.5 . 9 . . . . 22 A CA . 15345 1 83 . 1 1 17 17 ALA CB C 13 18.248 0.5 . 9 . . . . 22 A CB . 15345 1 84 . 1 1 17 17 ALA N N 15 121.756 0.5 . 9 . . . . 22 A N . 15345 1 85 . 1 1 18 18 ASN H H 1 8.630 0.05 . 9 . . . . 23 N HN . 15345 1 86 . 1 1 18 18 ASN HA H 1 4.445 0.05 . 9 . . . . 23 N HA . 15345 1 87 . 1 1 18 18 ASN HB2 H 1 2.740 0.05 . 9 . . . . 23 N HB1 . 15345 1 88 . 1 1 18 18 ASN HB3 H 1 2.842 0.05 . 9 . . . . 23 N HB2 . 15345 1 89 . 1 1 18 18 ASN CA C 13 56.706 0.5 . 9 . . . . 23 N CA . 15345 1 90 . 1 1 18 18 ASN CB C 13 37.948 0.5 . 9 . . . . 23 N CB . 15345 1 91 . 1 1 18 18 ASN N N 15 116.288 0.5 . 9 . . . . 23 N N . 15345 1 92 . 1 1 19 19 HIS H H 1 8.273 0.05 . 9 . . . . 24 H HN . 15345 1 93 . 1 1 19 19 HIS HA H 1 4.495 0.05 . 9 . . . . 24 H HA . 15345 1 94 . 1 1 19 19 HIS HB2 H 1 3.268 0.05 . 9 . . . . 24 H HB1 . 15345 1 95 . 1 1 19 19 HIS HB3 H 1 3.237 0.05 . 9 . . . . 24 H HB2 . 15345 1 96 . 1 1 19 19 HIS CA C 13 58.958 0.5 . 9 . . . . 24 H CA . 15345 1 97 . 1 1 19 19 HIS CB C 13 29.810 0.5 . 9 . . . . 24 H CB . 15345 1 98 . 1 1 19 19 HIS N N 15 119.937 0.5 . 9 . . . . 24 H N . 15345 1 99 . 1 1 20 20 ALA H H 1 7.977 0.05 . 9 . . . . 25 A HN . 15345 1 100 . 1 1 20 20 ALA HA H 1 4.094 0.05 . 9 . . . . 25 A HA . 15345 1 101 . 1 1 20 20 ALA HB1 H 1 1.480 0.05 . 9 . . . . 25 A HB1 . 15345 1 102 . 1 1 20 20 ALA HB2 H 1 1.480 0.05 . 9 . . . . 25 A HB1 . 15345 1 103 . 1 1 20 20 ALA HB3 H 1 1.480 0.05 . 9 . . . . 25 A HB1 . 15345 1 104 . 1 1 20 20 ALA CA C 13 55.740 0.5 . 9 . . . . 25 A CA . 15345 1 105 . 1 1 20 20 ALA CB C 13 18.176 0.5 . 9 . . . . 25 A CB . 15345 1 106 . 1 1 20 20 ALA N N 15 122.198 0.5 . 9 . . . . 25 A N . 15345 1 107 . 1 1 21 21 ILE H H 1 8.110 0.05 . 9 . . . . 26 I HN . 15345 1 108 . 1 1 21 21 ILE CA C 13 65.613 0.5 . 9 . . . . 26 I CA . 15345 1 109 . 1 1 21 21 ILE CB C 13 38.401 0.5 . 9 . . . . 26 I CB . 15345 1 110 . 1 1 21 21 ILE CD1 C 13 14.284 0.5 . 9 . . . . 26 I CD1 . 15345 1 111 . 1 1 21 21 ILE CG1 C 13 30.503 0.5 . 9 . . . . 26 I CG1 . 15345 1 112 . 1 1 21 21 ILE CG2 C 13 17.798 0.5 . 9 . . . . 26 I CG2 . 15345 1 113 . 1 1 21 21 ILE N N 15 118.434 0.5 . 9 . . . . 26 I N . 15345 1 114 . 1 1 22 22 GLU H H 1 8.026 0.05 . 9 . . . . 27 E HN . 15345 1 115 . 1 1 22 22 GLU HA H 1 4.071 0.05 . 9 . . . . 27 E HA . 15345 1 116 . 1 1 22 22 GLU HB2 H 1 2.125 0.05 . 9 . . . . 27 E HB1 . 15345 1 117 . 1 1 22 22 GLU HB3 H 1 2.106 0.05 . 9 . . . . 27 E HB2 . 15345 1 118 . 1 1 22 22 GLU HG2 H 1 2.359 0.05 . 9 . . . . 27 E HG1 . 15345 1 119 . 1 1 22 22 GLU CA C 13 59.845 0.5 . 9 . . . . 27 E CA . 15345 1 120 . 1 1 22 22 GLU CB C 13 30.015 0.5 . 9 . . . . 27 E CB . 15345 1 121 . 1 1 22 22 GLU CG C 13 29.898 0.5 . 9 . . . . 27 E CG . 15345 1 122 . 1 1 22 22 GLU N N 15 119.996 0.5 . 9 . . . . 27 E N . 15345 1 123 . 1 1 23 23 LYS H H 1 8.234 0.05 . 9 . . . . 28 K HN . 15345 1 124 . 1 1 23 23 LYS HA H 1 4.059 0.05 . 9 . . . . 28 K HA . 15345 1 125 . 1 1 23 23 LYS HB2 H 1 1.813 0.05 . 9 . . . . 28 K HB1 . 15345 1 126 . 1 1 23 23 LYS HB3 H 1 1.608 0.05 . 9 . . . . 28 K HB2 . 15345 1 127 . 1 1 23 23 LYS HG2 H 1 1.315 0.05 . 9 . . . . 28 K HG2 . 15345 1 128 . 1 1 23 23 LYS CA C 13 59.503 0.5 . 9 . . . . 28 K CA . 15345 1 129 . 1 1 23 23 LYS CB C 13 32.279 0.5 . 9 . . . . 28 K CB . 15345 1 130 . 1 1 23 23 LYS CD C 13 29.284 0.5 . 9 . . . . 28 K CD . 15345 1 131 . 1 1 23 23 LYS CE C 13 42.075 0.5 . 9 . . . . 28 K CE . 15345 1 132 . 1 1 23 23 LYS CG C 13 25.165 0.5 . 9 . . . . 28 K CG . 15345 1 133 . 1 1 23 23 LYS N N 15 119.075 0.5 . 9 . . . . 28 K N . 15345 1 134 . 1 1 24 24 GLY H H 1 8.729 0.05 . 9 . . . . 29 G HN . 15345 1 135 . 1 1 24 24 GLY HA2 H 1 3.579 0.05 . 9 . . . . 29 G HA1 . 15345 1 136 . 1 1 24 24 GLY HA3 H 1 3.725 0.05 . 9 . . . . 29 G HA2 . 15345 1 137 . 1 1 24 24 GLY CA C 13 48.031 0.5 . 9 . . . . 29 G CA . 15345 1 138 . 1 1 24 24 GLY N N 15 108.783 0.5 . 9 . . . . 29 G N . 15345 1 139 . 1 1 25 25 GLU H H 1 8.753 0.05 . 9 . . . . 30 E HN . 15345 1 140 . 1 1 25 25 GLU HA H 1 3.950 0.05 . 9 . . . . 30 E HA . 15345 1 141 . 1 1 25 25 GLU HB2 H 1 2.195 0.05 . 9 . . . . 30 E HB1 . 15345 1 142 . 1 1 25 25 GLU HB3 H 1 2.046 0.05 . 9 . . . . 30 E HB2 . 15345 1 143 . 1 1 25 25 GLU HG2 H 1 2.485 0.05 . 9 . . . . 30 E HG1 . 15345 1 144 . 1 1 25 25 GLU HG3 H 1 2.254 0.05 . 9 . . . . 30 E HG2 . 15345 1 145 . 1 1 25 25 GLU CA C 13 60.221 0.5 . 9 . . . . 30 E CA . 15345 1 146 . 1 1 25 25 GLU CB C 13 29.742 0.5 . 9 . . . . 30 E CB . 15345 1 147 . 1 1 25 25 GLU CG C 13 36.918 0.5 . 9 . . . . 30 E CG . 15345 1 148 . 1 1 25 25 GLU N N 15 122.476 0.5 . 9 . . . . 30 E N . 15345 1 149 . 1 1 26 26 HIS H H 1 7.905 0.05 . 9 . . . . 31 H HN . 15345 1 150 . 1 1 26 26 HIS HA H 1 4.362 0.05 . 9 . . . . 31 H HA . 15345 1 151 . 1 1 26 26 HIS HB2 H 1 3.331 0.05 . 9 . . . . 31 H HB1 . 15345 1 152 . 1 1 26 26 HIS HB3 H 1 3.265 0.05 . 9 . . . . 31 H HB2 . 15345 1 153 . 1 1 26 26 HIS CA C 13 59.835 0.5 . 9 . . . . 31 H CA . 15345 1 154 . 1 1 26 26 HIS CB C 13 29.968 0.5 . 9 . . . . 31 H CB . 15345 1 155 . 1 1 26 26 HIS N N 15 118.335 0.5 . 9 . . . . 31 H N . 15345 1 156 . 1 1 27 27 GLN H H 1 8.659 0.05 . 9 . . . . 32 Q HN . 15345 1 157 . 1 1 27 27 GLN HA H 1 4.316 0.05 . 9 . . . . 32 Q HA . 15345 1 158 . 1 1 27 27 GLN HB2 H 1 2.098 0.05 . 9 . . . . 32 Q HB1 . 15345 1 159 . 1 1 27 27 GLN HG2 H 1 2.471 0.05 . 9 . . . . 32 Q HG1 . 15345 1 160 . 1 1 27 27 GLN CA C 13 58.582 0.5 . 9 . . . . 32 Q CA . 15345 1 161 . 1 1 27 27 GLN CB C 13 29.273 0.5 . 9 . . . . 32 Q CB . 15345 1 162 . 1 1 27 27 GLN CG C 13 34.255 0.5 . 9 . . . . 32 Q CG . 15345 1 163 . 1 1 27 27 GLN N N 15 119.539 0.5 . 9 . . . . 32 Q N . 15345 1 164 . 1 1 28 28 LEU H H 1 8.711 0.05 . 9 . . . . 33 L HN . 15345 1 165 . 1 1 28 28 LEU HA H 1 4.038 0.05 . 9 . . . . 33 L HA . 15345 1 166 . 1 1 28 28 LEU HB2 H 1 2.026 0.05 . 9 . . . . 33 L HB1 . 15345 1 167 . 1 1 28 28 LEU HD11 H 1 0.923 0.05 . 9 . . . . 33 L HD11 . 15345 1 168 . 1 1 28 28 LEU HD12 H 1 0.923 0.05 . 9 . . . . 33 L HD11 . 15345 1 169 . 1 1 28 28 LEU HD13 H 1 0.923 0.05 . 9 . . . . 33 L HD11 . 15345 1 170 . 1 1 28 28 LEU CA C 13 58.876 0.5 . 9 . . . . 33 L CA . 15345 1 171 . 1 1 28 28 LEU CB C 13 41.466 0.5 . 9 . . . . 33 L CB . 15345 1 172 . 1 1 28 28 LEU CD1 C 13 26.631 0.5 . 9 . . . . 33 L CD1 . 15345 1 173 . 1 1 28 28 LEU CD2 C 13 23.646 0.5 . 9 . . . . 33 L CD2 . 15345 1 174 . 1 1 28 28 LEU CG C 13 27.272 0.5 . 9 . . . . 33 L CG . 15345 1 175 . 1 1 28 28 LEU N N 15 120.751 0.5 . 9 . . . . 33 L N . 15345 1 176 . 1 1 29 29 LEU H H 1 7.431 0.05 . 9 . . . . 34 L HN . 15345 1 177 . 1 1 29 29 LEU HA H 1 4.116 0.05 . 9 . . . . 34 L HA . 15345 1 178 . 1 1 29 29 LEU HB2 H 1 1.794 0.05 . 9 . . . . 34 L HB1 . 15345 1 179 . 1 1 29 29 LEU HD11 H 1 0.900 0.05 . 9 . . . . 34 L HD11 . 15345 1 180 . 1 1 29 29 LEU HD12 H 1 0.900 0.05 . 9 . . . . 34 L HD11 . 15345 1 181 . 1 1 29 29 LEU HD13 H 1 0.900 0.05 . 9 . . . . 34 L HD11 . 15345 1 182 . 1 1 29 29 LEU CA C 13 58.347 0.5 . 9 . . . . 34 L CA . 15345 1 183 . 1 1 29 29 LEU CB C 13 41.934 0.5 . 9 . . . . 34 L CB . 15345 1 184 . 1 1 29 29 LEU CD1 C 13 24.814 0.5 . 9 . . . . 34 L CD1 . 15345 1 185 . 1 1 29 29 LEU CD2 C 13 23.967 0.5 . 9 . . . . 34 L CD2 . 15345 1 186 . 1 1 29 29 LEU CG C 13 27.114 0.5 . 9 . . . . 34 L CG . 15345 1 187 . 1 1 29 29 LEU N N 15 118.351 0.5 . 9 . . . . 34 L N . 15345 1 188 . 1 1 30 30 TYR H H 1 7.639 0.05 . 9 . . . . 35 Y HN . 15345 1 189 . 1 1 30 30 TYR HA H 1 4.391 0.05 . 9 . . . . 35 Y HA . 15345 1 190 . 1 1 30 30 TYR HB2 H 1 3.159 0.05 . 9 . . . . 35 Y HB2 . 15345 1 191 . 1 1 30 30 TYR CA C 13 61.009 0.5 . 9 . . . . 35 Y CA . 15345 1 192 . 1 1 30 30 TYR CB C 13 38.193 0.5 . 9 . . . . 35 Y CB . 15345 1 193 . 1 1 30 30 TYR N N 15 120.261 0.5 . 9 . . . . 35 Y N . 15345 1 194 . 1 1 31 31 LEU H H 1 8.834 0.05 . 9 . . . . 36 L HN . 15345 1 195 . 1 1 31 31 LEU HA H 1 3.844 0.05 . 9 . . . . 36 L HA . 15345 1 196 . 1 1 31 31 LEU HB2 H 1 2.056 0.05 . 9 . . . . 36 L HB2 . 15345 1 197 . 1 1 31 31 LEU HG H 1 1.210 0.05 . 9 . . . . 36 L HG . 15345 1 198 . 1 1 31 31 LEU CA C 13 58.320 0.5 . 9 . . . . 36 L CA . 15345 1 199 . 1 1 31 31 LEU CB C 13 41.700 0.5 . 9 . . . . 36 L CB . 15345 1 200 . 1 1 31 31 LEU CD1 C 13 25.904 0.5 . 9 . . . . 36 L CD1 . 15345 1 201 . 1 1 31 31 LEU CD2 C 13 23.846 0.5 . 9 . . . . 36 L CD2 . 15345 1 202 . 1 1 31 31 LEU CG C 13 27.598 0.5 . 9 . . . . 36 L CG . 15345 1 203 . 1 1 31 31 LEU N N 15 121.199 0.5 . 9 . . . . 36 L N . 15345 1 204 . 1 1 32 32 GLN H H 1 8.516 0.05 . 9 . . . . 37 Q HN . 15345 1 205 . 1 1 32 32 GLN HA H 1 3.852 0.05 . 9 . . . . 37 Q HA . 15345 1 206 . 1 1 32 32 GLN HG2 H 1 2.290 0.05 . 9 . . . . 37 Q HG1 . 15345 1 207 . 1 1 32 32 GLN HG3 H 1 2.618 0.05 . 9 . . . . 37 Q HG2 . 15345 1 208 . 1 1 32 32 GLN CA C 13 59.754 0.5 . 9 . . . . 37 Q CA . 15345 1 209 . 1 1 32 32 GLN CB C 13 27.718 0.5 . 9 . . . . 37 Q CB . 15345 1 210 . 1 1 32 32 GLN CG C 13 34.860 0.5 . 9 . . . . 37 Q CG . 15345 1 211 . 1 1 32 32 GLN N N 15 118.680 0.5 . 9 . . . . 37 Q N . 15345 1 212 . 1 1 33 33 HIS H H 1 7.839 0.05 . 9 . . . . 38 H HN . 15345 1 213 . 1 1 33 33 HIS HA H 1 4.565 0.05 . 9 . . . . 38 H HA . 15345 1 214 . 1 1 33 33 HIS HB2 H 1 3.367 0.05 . 9 . . . . 38 H HB2 . 15345 1 215 . 1 1 33 33 HIS CA C 13 58.955 0.5 . 9 . . . . 38 H CA . 15345 1 216 . 1 1 33 33 HIS CB C 13 28.708 0.5 . 9 . . . . 38 H CB . 15345 1 217 . 1 1 33 33 HIS N N 15 118.841 0.5 . 9 . . . . 38 H N . 15345 1 218 . 1 1 34 34 GLN H H 1 7.947 0.05 . 9 . . . . 39 Q HN . 15345 1 219 . 1 1 34 34 GLN HA H 1 4.031 0.05 . 9 . . . . 39 Q HA . 15345 1 220 . 1 1 34 34 GLN CA C 13 58.841 0.5 . 9 . . . . 39 Q CA . 15345 1 221 . 1 1 34 34 GLN CB C 13 29.278 0.5 . 9 . . . . 39 Q CB . 15345 1 222 . 1 1 34 34 GLN CG C 13 34.860 0.5 . 9 . . . . 39 Q CG . 15345 1 223 . 1 1 34 34 GLN N N 15 119.260 0.5 . 9 . . . . 39 Q N . 15345 1 224 . 1 1 35 35 LEU H H 1 8.255 0.05 . 9 . . . . 40 L HN . 15345 1 225 . 1 1 35 35 LEU HA H 1 3.939 0.05 . 9 . . . . 40 L HA . 15345 1 226 . 1 1 35 35 LEU HB2 H 1 2.066 0.05 . 9 . . . . 40 L HB1 . 15345 1 227 . 1 1 35 35 LEU HB3 H 1 1.410 0.05 . 9 . . . . 40 L HB2 . 15345 1 228 . 1 1 35 35 LEU HD11 H 1 0.934 0.05 . 9 . . . . 40 L HD11 . 15345 1 229 . 1 1 35 35 LEU HD12 H 1 0.934 0.05 . 9 . . . . 40 L HD11 . 15345 1 230 . 1 1 35 35 LEU HD13 H 1 0.934 0.05 . 9 . . . . 40 L HD11 . 15345 1 231 . 1 1 35 35 LEU HD21 H 1 0.892 0.05 . 9 . . . . 40 L HD21 . 15345 1 232 . 1 1 35 35 LEU HD22 H 1 0.892 0.05 . 9 . . . . 40 L HD21 . 15345 1 233 . 1 1 35 35 LEU HD23 H 1 0.892 0.05 . 9 . . . . 40 L HD21 . 15345 1 234 . 1 1 35 35 LEU HG H 1 1.640 0.05 . 9 . . . . 40 L HG . 15345 1 235 . 1 1 35 35 LEU CA C 13 58.565 0.5 . 9 . . . . 40 L CA . 15345 1 236 . 1 1 35 35 LEU CB C 13 41.061 0.5 . 9 . . . . 40 L CB . 15345 1 237 . 1 1 35 35 LEU CD1 C 13 26.509 0.5 . 9 . . . . 40 L CD1 . 15345 1 238 . 1 1 35 35 LEU CD2 C 13 24.088 0.5 . 9 . . . . 40 L CD2 . 15345 1 239 . 1 1 35 35 LEU CG C 13 27.840 0.5 . 9 . . . . 40 L CG . 15345 1 240 . 1 1 35 35 LEU N N 15 121.830 0.5 . 9 . . . . 40 L N . 15345 1 241 . 1 1 36 36 ASP H H 1 7.595 0.05 . 9 . . . . 41 D HN . 15345 1 242 . 1 1 36 36 ASP HA H 1 4.421 0.05 . 9 . . . . 41 D HA . 15345 1 243 . 1 1 36 36 ASP HB2 H 1 2.888 0.05 . 9 . . . . 41 D HB1 . 15345 1 244 . 1 1 36 36 ASP HB3 H 1 2.672 0.05 . 9 . . . . 41 D HB2 . 15345 1 245 . 1 1 36 36 ASP CA C 13 58.126 0.5 . 9 . . . . 41 D CA . 15345 1 246 . 1 1 36 36 ASP CB C 13 40.023 0.5 . 9 . . . . 41 D CB . 15345 1 247 . 1 1 36 36 ASP N N 15 120.010 0.5 . 9 . . . . 41 D N . 15345 1 248 . 1 1 37 37 GLU H H 1 7.442 0.05 . 9 . . . . 42 E HN . 15345 1 249 . 1 1 37 37 GLU HA H 1 4.028 0.05 . 9 . . . . 42 E HA . 15345 1 250 . 1 1 37 37 GLU HB2 H 1 2.026 0.05 . 9 . . . . 42 E HB1 . 15345 1 251 . 1 1 37 37 GLU HB3 H 1 2.086 0.05 . 9 . . . . 42 E HB2 . 15345 1 252 . 1 1 37 37 GLU HG2 H 1 2.241 0.05 . 9 . . . . 42 E HG1 . 15345 1 253 . 1 1 37 37 GLU HG3 H 1 2.115 0.05 . 9 . . . . 42 E HG2 . 15345 1 254 . 1 1 37 37 GLU CA C 13 59.736 0.5 . 9 . . . . 42 E CA . 15345 1 255 . 1 1 37 37 GLU CB C 13 29.320 0.5 . 9 . . . . 42 E CB . 15345 1 256 . 1 1 37 37 GLU CG C 13 36.313 0.5 . 9 . . . . 42 E CG . 15345 1 257 . 1 1 37 37 GLU N N 15 120.588 0.5 . 9 . . . . 42 E N . 15345 1 258 . 1 1 38 38 LEU H H 1 8.569 0.05 . 9 . . . . 43 L HN . 15345 1 259 . 1 1 38 38 LEU HA H 1 4.444 0.05 . 9 . . . . 43 L HA . 15345 1 260 . 1 1 38 38 LEU HD11 H 1 0.906 0.05 . 9 . . . . 43 L HD11 . 15345 1 261 . 1 1 38 38 LEU HD12 H 1 0.906 0.05 . 9 . . . . 43 L HD11 . 15345 1 262 . 1 1 38 38 LEU HD13 H 1 0.906 0.05 . 9 . . . . 43 L HD11 . 15345 1 263 . 1 1 38 38 LEU HD21 H 1 0.991 0.05 . 9 . . . . 43 L HD21 . 15345 1 264 . 1 1 38 38 LEU HD22 H 1 0.991 0.05 . 9 . . . . 43 L HD21 . 15345 1 265 . 1 1 38 38 LEU HD23 H 1 0.991 0.05 . 9 . . . . 43 L HD21 . 15345 1 266 . 1 1 38 38 LEU HG H 1 1.356 0.05 . 9 . . . . 43 L HG . 15345 1 267 . 1 1 38 38 LEU CA C 13 57.175 0.5 . 9 . . . . 43 L CA . 15345 1 268 . 1 1 38 38 LEU CB C 13 41.453 0.5 . 9 . . . . 43 L CB . 15345 1 269 . 1 1 38 38 LEU CD1 C 13 27.235 0.5 . 9 . . . . 43 L CD1 . 15345 1 270 . 1 1 38 38 LEU CD2 C 13 25.298 0.5 . 9 . . . . 43 L CD2 . 15345 1 271 . 1 1 38 38 LEU CG C 13 28.445 0.5 . 9 . . . . 43 L CG . 15345 1 272 . 1 1 38 38 LEU N N 15 123.315 0.5 . 9 . . . . 43 L N . 15345 1 273 . 1 1 39 39 ASN H H 1 8.434 0.05 . 9 . . . . 44 N HN . 15345 1 274 . 1 1 39 39 ASN HA H 1 4.319 0.05 . 9 . . . . 44 N HA . 15345 1 275 . 1 1 39 39 ASN HB2 H 1 2.816 0.05 . 9 . . . . 44 N HB1 . 15345 1 276 . 1 1 39 39 ASN HB3 H 1 2.757 0.05 . 9 . . . . 44 N HB2 . 15345 1 277 . 1 1 39 39 ASN CA C 13 56.472 0.5 . 9 . . . . 44 N CA . 15345 1 278 . 1 1 39 39 ASN CB C 13 39.386 0.5 . 9 . . . . 44 N CB . 15345 1 279 . 1 1 39 39 ASN N N 15 116.194 0.5 . 9 . . . . 44 N N . 15345 1 280 . 1 1 40 40 GLU H H 1 7.327 0.05 . 9 . . . . 45 E HN . 15345 1 281 . 1 1 40 40 GLU HA H 1 4.283 0.05 . 9 . . . . 45 E HA . 15345 1 282 . 1 1 40 40 GLU HB2 H 1 2.096 0.05 . 9 . . . . 45 E HB1 . 15345 1 283 . 1 1 40 40 GLU HG2 H 1 2.232 0.05 . 9 . . . . 45 E HG1 . 15345 1 284 . 1 1 40 40 GLU HG3 H 1 2.301 0.05 . 9 . . . . 45 E HG2 . 15345 1 285 . 1 1 40 40 GLU CA C 13 58.238 0.5 . 9 . . . . 45 E CA . 15345 1 286 . 1 1 40 40 GLU CB C 13 30.348 0.5 . 9 . . . . 45 E CB . 15345 1 287 . 1 1 40 40 GLU CG C 13 36.071 0.5 . 9 . . . . 45 E CG . 15345 1 288 . 1 1 40 40 GLU N N 15 115.621 0.5 . 9 . . . . 45 E N . 15345 1 289 . 1 1 41 41 ASN H H 1 8.427 0.05 . 9 . . . . 46 N HN . 15345 1 290 . 1 1 41 41 ASN HA H 1 4.653 0.05 . 9 . . . . 46 N HA . 15345 1 291 . 1 1 41 41 ASN HB2 H 1 2.768 0.05 . 9 . . . . 46 N HB1 . 15345 1 292 . 1 1 41 41 ASN HB3 H 1 2.954 0.05 . 9 . . . . 46 N HB2 . 15345 1 293 . 1 1 41 41 ASN CA C 13 53.892 0.5 . 9 . . . . 46 N CA . 15345 1 294 . 1 1 41 41 ASN CB C 13 38.586 0.5 . 9 . . . . 46 N CB . 15345 1 295 . 1 1 41 41 ASN N N 15 115.895 0.5 . 9 . . . . 46 N N . 15345 1 296 . 1 1 42 42 LYS H H 1 9.149 0.05 . 9 . . . . 47 K HN . 15345 1 297 . 1 1 42 42 LYS HA H 1 3.674 0.05 . 9 . . . . 47 K HA . 15345 1 298 . 1 1 42 42 LYS HB2 H 1 2.036 0.05 . 9 . . . . 47 K HB1 . 15345 1 299 . 1 1 42 42 LYS HB3 H 1 1.962 0.05 . 9 . . . . 47 K HB2 . 15345 1 300 . 1 1 42 42 LYS HD2 H 1 1.740 0.05 . 9 . . . . 47 K HD1 . 15345 1 301 . 1 1 42 42 LYS HD3 H 1 1.579 0.05 . 9 . . . . 47 K HD2 . 15345 1 302 . 1 1 42 42 LYS HE2 H 1 3.059 0.05 . 9 . . . . 47 K HE1 . 15345 1 303 . 1 1 42 42 LYS HG2 H 1 1.349 0.05 . 9 . . . . 47 K HG1 . 15345 1 304 . 1 1 42 42 LYS HG3 H 1 1.253 0.05 . 9 . . . . 47 K HG2 . 15345 1 305 . 1 1 42 42 LYS CA C 13 57.175 0.5 . 9 . . . . 47 K CA . 15345 1 306 . 1 1 42 42 LYS CB C 13 30.445 0.5 . 9 . . . . 47 K CB . 15345 1 307 . 1 1 42 42 LYS CD C 13 28.929 0.5 . 9 . . . . 47 K CD . 15345 1 308 . 1 1 42 42 LYS CE C 13 43.055 0.5 . 9 . . . . 47 K CE . 15345 1 309 . 1 1 42 42 LYS CG C 13 25.419 0.5 . 9 . . . . 47 K CG . 15345 1 310 . 1 1 42 42 LYS N N 15 118.936 0.5 . 9 . . . . 47 K N . 15345 1 311 . 1 1 43 43 SER H H 1 8.045 0.05 . 9 . . . . 48 S HN . 15345 1 312 . 1 1 43 43 SER HA H 1 4.565 0.05 . 9 . . . . 48 S HA . 15345 1 313 . 1 1 43 43 SER HB2 H 1 3.852 0.05 . 9 . . . . 48 S HB1 . 15345 1 314 . 1 1 43 43 SER CA C 13 57.410 0.5 . 9 . . . . 48 S CA . 15345 1 315 . 1 1 43 43 SER CB C 13 63.975 0.5 . 9 . . . . 48 S CB . 15345 1 316 . 1 1 43 43 SER N N 15 112.965 0.5 . 9 . . . . 48 S N . 15345 1 317 . 1 1 44 44 LYS H H 1 9.092 0.05 . 9 . . . . 49 K HN . 15345 1 318 . 1 1 44 44 LYS HA H 1 4.008 0.05 . 9 . . . . 49 K HA . 15345 1 319 . 1 1 44 44 LYS HB2 H 1 1.743 0.05 . 9 . . . . 49 K HB1 . 15345 1 320 . 1 1 44 44 LYS HD2 H 1 1.655 0.05 . 9 . . . . 49 K HD1 . 15345 1 321 . 1 1 44 44 LYS HE2 H 1 2.963 0.05 . 9 . . . . 49 K HE1 . 15345 1 322 . 1 1 44 44 LYS HG2 H 1 1.421 0.05 . 9 . . . . 49 K HG1 . 15345 1 323 . 1 1 44 44 LYS CA C 13 59.907 0.5 . 9 . . . . 49 K CA . 15345 1 324 . 1 1 44 44 LYS CB C 13 32.743 0.5 . 9 . . . . 49 K CB . 15345 1 325 . 1 1 44 44 LYS CD C 13 29.535 0.5 . 9 . . . . 49 K CD . 15345 1 326 . 1 1 44 44 LYS CE C 13 42.122 0.5 . 9 . . . . 49 K CE . 15345 1 327 . 1 1 44 44 LYS CG C 13 24.572 0.5 . 9 . . . . 49 K CG . 15345 1 328 . 1 1 44 44 LYS N N 15 132.888 0.5 . 9 . . . . 49 K N . 15345 1 329 . 1 1 45 45 GLU H H 1 8.309 0.05 . 9 . . . . 50 E HN . 15345 1 330 . 1 1 45 45 GLU HA H 1 4.028 0.05 . 9 . . . . 50 E HA . 15345 1 331 . 1 1 45 45 GLU HB2 H 1 1.960 0.05 . 9 . . . . 50 E HB1 . 15345 1 332 . 1 1 45 45 GLU HB3 H 1 1.880 0.05 . 9 . . . . 50 E HB2 . 15345 1 333 . 1 1 45 45 GLU HG2 H 1 2.280 0.05 . 9 . . . . 50 E HG1 . 15345 1 334 . 1 1 45 45 GLU CA C 13 60.011 0.5 . 9 . . . . 50 E CA . 15345 1 335 . 1 1 45 45 GLU CB C 13 29.593 0.5 . 9 . . . . 50 E CB . 15345 1 336 . 1 1 45 45 GLU CG C 13 36.918 0.5 . 9 . . . . 50 E CG . 15345 1 337 . 1 1 45 45 GLU N N 15 118.638 0.5 . 9 . . . . 50 E N . 15345 1 338 . 1 1 46 46 LEU H H 1 7.585 0.05 . 9 . . . . 51 L HN . 15345 1 339 . 1 1 46 46 LEU HA H 1 4.259 0.05 . 9 . . . . 51 L HA . 15345 1 340 . 1 1 46 46 LEU HB2 H 1 1.968 0.05 . 9 . . . . 51 L HB1 . 15345 1 341 . 1 1 46 46 LEU CA C 13 57.525 0.5 . 9 . . . . 51 L CA . 15345 1 342 . 1 1 46 46 LEU CB C 13 41.041 0.5 . 9 . . . . 51 L CB . 15345 1 343 . 1 1 46 46 LEU CD1 C 13 22.636 0.5 . 9 . . . . 51 L CD1 . 15345 1 344 . 1 1 46 46 LEU CD2 C 13 25.930 0.5 . 9 . . . . 51 L CD2 . 15345 1 345 . 1 1 46 46 LEU CG C 13 27.636 0.5 . 9 . . . . 51 L CG . 15345 1 346 . 1 1 46 46 LEU N N 15 121.787 0.5 . 9 . . . . 51 L N . 15345 1 347 . 1 1 47 47 GLN H H 1 8.219 0.05 . 9 . . . . 52 Q HN . 15345 1 348 . 1 1 47 47 GLN HA H 1 3.643 0.05 . 9 . . . . 52 Q HA . 15345 1 349 . 1 1 47 47 GLN HB2 H 1 2.105 0.05 . 9 . . . . 52 Q HB1 . 15345 1 350 . 1 1 47 47 GLN HB3 H 1 1.886 0.05 . 9 . . . . 52 Q HB2 . 15345 1 351 . 1 1 47 47 GLN CA C 13 60.498 0.5 . 9 . . . . 52 Q CA . 15345 1 352 . 1 1 47 47 GLN CB C 13 30.439 0.5 . 9 . . . . 52 Q CB . 15345 1 353 . 1 1 47 47 GLN CG C 13 34.134 0.5 . 9 . . . . 52 Q CG . 15345 1 354 . 1 1 47 47 GLN N N 15 119.789 0.5 . 9 . . . . 52 Q N . 15345 1 355 . 1 1 48 48 GLU H H 1 8.324 0.05 . 9 . . . . 53 E HN . 15345 1 356 . 1 1 48 48 GLU HA H 1 3.893 0.05 . 9 . . . . 53 E HA . 15345 1 357 . 1 1 48 48 GLU HB2 H 1 2.013 0.05 . 9 . . . . 53 E HB1 . 15345 1 358 . 1 1 48 48 GLU HB3 H 1 2.117 0.05 . 9 . . . . 53 E HB2 . 15345 1 359 . 1 1 48 48 GLU HG2 H 1 2.232 0.05 . 9 . . . . 53 E HG1 . 15345 1 360 . 1 1 48 48 GLU HG3 H 1 2.516 0.05 . 9 . . . . 53 E HG2 . 15345 1 361 . 1 1 48 48 GLU CA C 13 59.989 0.5 . 9 . . . . 53 E CA . 15345 1 362 . 1 1 48 48 GLU CB C 13 29.508 0.5 . 9 . . . . 53 E CB . 15345 1 363 . 1 1 48 48 GLU CG C 13 37.039 0.5 . 9 . . . . 53 E CG . 15345 1 364 . 1 1 48 48 GLU N N 15 116.068 0.5 . 9 . . . . 53 E N . 15345 1 365 . 1 1 49 49 LYS H H 1 7.738 0.05 . 9 . . . . 54 K HN . 15345 1 366 . 1 1 49 49 LYS HA H 1 3.989 0.05 . 9 . . . . 54 K HA . 15345 1 367 . 1 1 49 49 LYS HB2 H 1 2.003 0.05 . 9 . . . . 54 K HB1 . 15345 1 368 . 1 1 49 49 LYS HB3 H 1 2.134 0.05 . 9 . . . . 54 K HB2 . 15345 1 369 . 1 1 49 49 LYS HG2 H 1 1.411 0.05 . 9 . . . . 54 K HG1 . 15345 1 370 . 1 1 49 49 LYS CA C 13 60.299 0.5 . 9 . . . . 54 K CA . 15345 1 371 . 1 1 49 49 LYS CB C 13 33.042 0.5 . 9 . . . . 54 K CB . 15345 1 372 . 1 1 49 49 LYS CD C 13 30.019 0.5 . 9 . . . . 54 K CD . 15345 1 373 . 1 1 49 49 LYS CE C 13 42.485 0.5 . 9 . . . . 54 K CE . 15345 1 374 . 1 1 49 49 LYS CG C 13 25.177 0.5 . 9 . . . . 54 K CG . 15345 1 375 . 1 1 49 49 LYS N N 15 121.225 0.5 . 9 . . . . 54 K N . 15345 1 376 . 1 1 50 50 ILE H H 1 8.514 0.05 . 9 . . . . 55 I HN . 15345 1 377 . 1 1 50 50 ILE HA H 1 3.652 0.05 . 9 . . . . 55 I HA . 15345 1 378 . 1 1 50 50 ILE CA C 13 65.850 0.5 . 9 . . . . 55 I CA . 15345 1 379 . 1 1 50 50 ILE CB C 13 38.417 0.5 . 9 . . . . 55 I CB . 15345 1 380 . 1 1 50 50 ILE CD1 C 13 18.762 0.5 . 9 . . . . 55 I CD1 . 15345 1 381 . 1 1 50 50 ILE CG2 C 13 15.494 0.5 . 9 . . . . 55 I CG2 . 15345 1 382 . 1 1 50 50 ILE N N 15 118.992 0.5 . 9 . . . . 55 I N . 15345 1 383 . 1 1 51 51 ILE H H 1 8.153 0.05 . 9 . . . . 56 I HN . 15345 1 384 . 1 1 51 51 ILE HA H 1 3.612 0.05 . 9 . . . . 56 I HA . 15345 1 385 . 1 1 51 51 ILE HD11 H 1 0.766 0.05 . 9 . . . . 56 I HD11 . 15345 1 386 . 1 1 51 51 ILE HD12 H 1 0.766 0.05 . 9 . . . . 56 I HD11 . 15345 1 387 . 1 1 51 51 ILE HD13 H 1 0.766 0.05 . 9 . . . . 56 I HD11 . 15345 1 388 . 1 1 51 51 ILE HG21 H 1 0.919 0.05 . 9 . . . . 56 I HG21 . 15345 1 389 . 1 1 51 51 ILE HG22 H 1 0.919 0.05 . 9 . . . . 56 I HG21 . 15345 1 390 . 1 1 51 51 ILE HG23 H 1 0.919 0.05 . 9 . . . . 56 I HG21 . 15345 1 391 . 1 1 51 51 ILE CA C 13 65.612 0.5 . 9 . . . . 56 I CA . 15345 1 392 . 1 1 51 51 ILE CB C 13 37.714 0.5 . 9 . . . . 56 I CB . 15345 1 393 . 1 1 51 51 ILE CD1 C 13 14.052 0.5 . 9 . . . . 56 I CD1 . 15345 1 394 . 1 1 51 51 ILE CG1 C 13 29.535 0.5 . 9 . . . . 56 I CG1 . 15345 1 395 . 1 1 51 51 ILE CG2 C 13 17.310 0.5 . 9 . . . . 56 I CG2 . 15345 1 396 . 1 1 51 51 ILE N N 15 119.099 0.5 . 9 . . . . 56 I N . 15345 1 397 . 1 1 52 52 ARG H H 1 7.884 0.05 . 9 . . . . 57 R HN . 15345 1 398 . 1 1 52 52 ARG HA H 1 4.172 0.05 . 9 . . . . 57 R HA . 15345 1 399 . 1 1 52 52 ARG HB2 H 1 1.958 0.05 . 9 . . . . 57 R HB1 . 15345 1 400 . 1 1 52 52 ARG HB3 H 1 2.041 0.05 . 9 . . . . 57 R HB2 . 15345 1 401 . 1 1 52 52 ARG HD2 H 1 3.248 0.05 . 9 . . . . 57 R HD1 . 15345 1 402 . 1 1 52 52 ARG HG2 H 1 1.694 0.05 . 9 . . . . 57 R HG1 . 15345 1 403 . 1 1 52 52 ARG HG3 H 1 1.831 0.05 . 9 . . . . 57 R HG2 . 15345 1 404 . 1 1 52 52 ARG CA C 13 59.890 0.5 . 9 . . . . 57 R CA . 15345 1 405 . 1 1 52 52 ARG CB C 13 30.229 0.5 . 9 . . . . 57 R CB . 15345 1 406 . 1 1 52 52 ARG CD C 13 43.817 0.5 . 9 . . . . 57 R CD . 15345 1 407 . 1 1 52 52 ARG CG C 13 27.840 0.5 . 9 . . . . 57 R CG . 15345 1 408 . 1 1 52 52 ARG N N 15 118.802 0.5 . 9 . . . . 57 R N . 15345 1 409 . 1 1 53 53 GLU H H 1 8.138 0.05 . 9 . . . . 58 E HN . 15345 1 410 . 1 1 53 53 GLU HA H 1 4.094 0.05 . 9 . . . . 58 E HA . 15345 1 411 . 1 1 53 53 GLU HB2 H 1 2.253 0.05 . 9 . . . . 58 E HB1 . 15345 1 412 . 1 1 53 53 GLU HB3 H 1 2.093 0.05 . 9 . . . . 58 E HB2 . 15345 1 413 . 1 1 53 53 GLU HG2 H 1 2.585 0.05 . 9 . . . . 58 E HG1 . 15345 1 414 . 1 1 53 53 GLU CA C 13 59.778 0.5 . 9 . . . . 58 E CA . 15345 1 415 . 1 1 53 53 GLU CB C 13 30.020 0.5 . 9 . . . . 58 E CB . 15345 1 416 . 1 1 53 53 GLU CG C 13 37.039 0.5 . 9 . . . . 58 E CG . 15345 1 417 . 1 1 53 53 GLU N N 15 119.155 0.5 . 9 . . . . 58 E N . 15345 1 418 . 1 1 54 54 LEU H H 1 8.989 0.05 . 9 . . . . 59 L HN . 15345 1 419 . 1 1 54 54 LEU HA H 1 3.939 0.05 . 9 . . . . 59 L HA . 15345 1 420 . 1 1 54 54 LEU HB2 H 1 2.115 0.05 . 9 . . . . 59 L HB1 . 15345 1 421 . 1 1 54 54 LEU HB3 H 1 1.820 0.05 . 9 . . . . 59 L HB2 . 15345 1 422 . 1 1 54 54 LEU HD11 H 1 0.786 0.05 . 9 . . . . 59 L HD11 . 15345 1 423 . 1 1 54 54 LEU HD12 H 1 0.786 0.05 . 9 . . . . 59 L HD11 . 15345 1 424 . 1 1 54 54 LEU HD13 H 1 0.786 0.05 . 9 . . . . 59 L HD11 . 15345 1 425 . 1 1 54 54 LEU HD21 H 1 0.849 0.05 . 9 . . . . 59 L HD21 . 15345 1 426 . 1 1 54 54 LEU HD22 H 1 0.849 0.05 . 9 . . . . 59 L HD21 . 15345 1 427 . 1 1 54 54 LEU HD23 H 1 0.849 0.05 . 9 . . . . 59 L HD21 . 15345 1 428 . 1 1 54 54 LEU HG H 1 1.519 0.05 . 9 . . . . 59 L HG . 15345 1 429 . 1 1 54 54 LEU CA C 13 58.703 0.5 . 9 . . . . 59 L CA . 15345 1 430 . 1 1 54 54 LEU CB C 13 42.403 0.5 . 9 . . . . 59 L CB . 15345 1 431 . 1 1 54 54 LEU CD1 C 13 26.509 0.5 . 9 . . . . 59 L CD1 . 15345 1 432 . 1 1 54 54 LEU CD2 C 13 25.298 0.5 . 9 . . . . 59 L CD2 . 15345 1 433 . 1 1 54 54 LEU CG C 13 27.477 0.5 . 9 . . . . 59 L CG . 15345 1 434 . 1 1 54 54 LEU N N 15 122.102 0.5 . 9 . . . . 59 L N . 15345 1 435 . 1 1 55 55 ASP H H 1 8.219 0.05 . 9 . . . . 60 D HN . 15345 1 436 . 1 1 55 55 ASP HA H 1 4.392 0.05 . 9 . . . . 60 D HA . 15345 1 437 . 1 1 55 55 ASP HB2 H 1 2.917 0.05 . 9 . . . . 60 D HB1 . 15345 1 438 . 1 1 55 55 ASP HB3 H 1 2.711 0.05 . 9 . . . . 60 D HB2 . 15345 1 439 . 1 1 55 55 ASP CA C 13 58.190 0.5 . 9 . . . . 60 D CA . 15345 1 440 . 1 1 55 55 ASP CB C 13 40.988 0.5 . 9 . . . . 60 D CB . 15345 1 441 . 1 1 55 55 ASP N N 15 120.107 0.5 . 9 . . . . 60 D N . 15345 1 442 . 1 1 56 56 VAL H H 1 7.498 0.05 . 9 . . . . 61 V HN . 15345 1 443 . 1 1 56 56 VAL HA H 1 3.735 0.05 . 9 . . . . 61 V HA . 15345 1 444 . 1 1 56 56 VAL HB H 1 1.138 0.05 . 9 . . . . 61 V HB . 15345 1 445 . 1 1 56 56 VAL HG11 H 1 0.991 0.05 . 9 . . . . 61 V HG11 . 15345 1 446 . 1 1 56 56 VAL HG12 H 1 0.991 0.05 . 9 . . . . 61 V HG11 . 15345 1 447 . 1 1 56 56 VAL HG13 H 1 0.991 0.05 . 9 . . . . 61 V HG11 . 15345 1 448 . 1 1 56 56 VAL HG21 H 1 0.923 0.05 . 9 . . . . 61 V HG21 . 15345 1 449 . 1 1 56 56 VAL HG22 H 1 0.923 0.05 . 9 . . . . 61 V HG21 . 15345 1 450 . 1 1 56 56 VAL HG23 H 1 0.923 0.05 . 9 . . . . 61 V HG21 . 15345 1 451 . 1 1 56 56 VAL CA C 13 66.788 0.5 . 9 . . . . 61 V CA . 15345 1 452 . 1 1 56 56 VAL CB C 13 32.232 0.5 . 9 . . . . 61 V CB . 15345 1 453 . 1 1 56 56 VAL CG1 C 13 21.546 0.5 . 9 . . . . 61 V CG1 . 15345 1 454 . 1 1 56 56 VAL CG2 C 13 22.636 0.5 . 9 . . . . 61 V CG2 . 15345 1 455 . 1 1 56 56 VAL N N 15 119.698 0.5 . 9 . . . . 61 V N . 15345 1 456 . 1 1 57 57 VAL H H 1 8.026 0.05 . 9 . . . . 62 V HN . 15345 1 457 . 1 1 57 57 VAL HA H 1 3.803 0.05 . 9 . . . . 62 V HA . 15345 1 458 . 1 1 57 57 VAL HB H 1 2.218 0.05 . 9 . . . . 62 V HB . 15345 1 459 . 1 1 57 57 VAL HG11 H 1 1.075 0.05 . 9 . . . . 62 V HG11 . 15345 1 460 . 1 1 57 57 VAL HG12 H 1 1.075 0.05 . 9 . . . . 62 V HG11 . 15345 1 461 . 1 1 57 57 VAL HG13 H 1 1.075 0.05 . 9 . . . . 62 V HG11 . 15345 1 462 . 1 1 57 57 VAL HG21 H 1 1.136 0.05 . 9 . . . . 62 V HG21 . 15345 1 463 . 1 1 57 57 VAL HG22 H 1 1.136 0.05 . 9 . . . . 62 V HG21 . 15345 1 464 . 1 1 57 57 VAL HG23 H 1 1.136 0.05 . 9 . . . . 62 V HG21 . 15345 1 465 . 1 1 57 57 VAL CA C 13 66.846 0.5 . 9 . . . . 62 V CA . 15345 1 466 . 1 1 57 57 VAL CB C 13 31.811 0.5 . 9 . . . . 62 V CB . 15345 1 467 . 1 1 57 57 VAL CG1 C 13 23.326 0.5 . 9 . . . . 62 V CG1 . 15345 1 468 . 1 1 57 57 VAL N N 15 120.460 0.5 . 9 . . . . 62 V N . 15345 1 469 . 1 1 58 58 CYS H H 1 8.951 0.05 . 9 . . . . 63 C HN . 15345 1 470 . 1 1 58 58 CYS HA H 1 3.903 0.05 . 9 . . . . 63 C HA . 15345 1 471 . 1 1 58 58 CYS HB2 H 1 2.934 0.05 . 9 . . . . 63 C HB1 . 15345 1 472 . 1 1 58 58 CYS HB3 H 1 3.080 0.05 . 9 . . . . 63 C HB2 . 15345 1 473 . 1 1 58 58 CYS CA C 13 64.913 0.5 . 9 . . . . 63 C CA . 15345 1 474 . 1 1 58 58 CYS CB C 13 26.694 0.5 . 9 . . . . 63 C CB . 15345 1 475 . 1 1 58 58 CYS N N 15 118.897 0.5 . 9 . . . . 63 C N . 15345 1 476 . 1 1 59 59 ALA H H 1 7.858 0.05 . 9 . . . . 64 A HN . 15345 1 477 . 1 1 59 59 ALA HA H 1 4.207 0.05 . 9 . . . . 64 A HA . 15345 1 478 . 1 1 59 59 ALA HB1 H 1 1.529 0.05 . 9 . . . . 64 A HB1 . 15345 1 479 . 1 1 59 59 ALA HB2 H 1 1.529 0.05 . 9 . . . . 64 A HB1 . 15345 1 480 . 1 1 59 59 ALA HB3 H 1 1.529 0.05 . 9 . . . . 64 A HB1 . 15345 1 481 . 1 1 59 59 ALA CA C 13 55.596 0.5 . 9 . . . . 64 A CA . 15345 1 482 . 1 1 59 59 ALA CB C 13 17.925 0.5 . 9 . . . . 64 A CB . 15345 1 483 . 1 1 59 59 ALA N N 15 120.535 0.5 . 9 . . . . 64 A N . 15345 1 484 . 1 1 60 60 MET H H 1 7.824 0.05 . 9 . . . . 65 M HN . 15345 1 485 . 1 1 60 60 MET HA H 1 4.054 0.05 . 9 . . . . 65 M HA . 15345 1 486 . 1 1 60 60 MET HB2 H 1 2.345 0.05 . 9 . . . . 65 M HB1 . 15345 1 487 . 1 1 60 60 MET HG2 H 1 2.642 0.05 . 9 . . . . 65 M HG1 . 15345 1 488 . 1 1 60 60 MET CA C 13 59.228 0.5 . 9 . . . . 65 M CA . 15345 1 489 . 1 1 60 60 MET CB C 13 32.772 0.5 . 9 . . . . 65 M CB . 15345 1 490 . 1 1 60 60 MET CG C 13 31.471 0.5 . 9 . . . . 65 M CG . 15345 1 491 . 1 1 60 60 MET N N 15 119.815 0.5 . 9 . . . . 65 M N . 15345 1 492 . 1 1 61 61 ILE H H 1 8.285 0.05 . 9 . . . . 66 I HN . 15345 1 493 . 1 1 61 61 ILE HA H 1 3.755 0.05 . 9 . . . . 66 I HA . 15345 1 494 . 1 1 61 61 ILE HB H 1 2.075 0.05 . 9 . . . . 66 I HB . 15345 1 495 . 1 1 61 61 ILE HG21 H 1 0.972 0.05 . 9 . . . . 66 I HG21 . 15345 1 496 . 1 1 61 61 ILE HG22 H 1 0.972 0.05 . 9 . . . . 66 I HG21 . 15345 1 497 . 1 1 61 61 ILE HG23 H 1 0.972 0.05 . 9 . . . . 66 I HG21 . 15345 1 498 . 1 1 61 61 ILE CA C 13 63.601 0.5 . 9 . . . . 66 I CA . 15345 1 499 . 1 1 61 61 ILE CB C 13 35.991 0.5 . 9 . . . . 66 I CB . 15345 1 500 . 1 1 61 61 ILE CD1 C 13 12.226 0.5 . 9 . . . . 66 I CD1 . 15345 1 501 . 1 1 61 61 ILE CG1 C 13 27.693 0.5 . 9 . . . . 66 I CG1 . 15345 1 502 . 1 1 61 61 ILE CG2 C 13 19.126 0.5 . 9 . . . . 66 I CG2 . 15345 1 503 . 1 1 61 61 ILE N N 15 120.272 0.5 . 9 . . . . 66 I N . 15345 1 504 . 1 1 62 62 GLU H H 1 9.195 0.05 . 9 . . . . 67 E HN . 15345 1 505 . 1 1 62 62 GLU HA H 1 4.037 0.05 . 9 . . . . 67 E HA . 15345 1 506 . 1 1 62 62 GLU HB2 H 1 1.997 0.05 . 9 . . . . 67 E HB1 . 15345 1 507 . 1 1 62 62 GLU HB3 H 1 2.181 0.05 . 9 . . . . 67 E HB2 . 15345 1 508 . 1 1 62 62 GLU HG2 H 1 2.533 0.05 . 9 . . . . 67 E HG1 . 15345 1 509 . 1 1 62 62 GLU CA C 13 60.451 0.5 . 9 . . . . 67 E CA . 15345 1 510 . 1 1 62 62 GLU CB C 13 29.742 0.5 . 9 . . . . 67 E CB . 15345 1 511 . 1 1 62 62 GLU CG C 13 37.837 0.5 . 9 . . . . 67 E CG . 15345 1 512 . 1 1 62 62 GLU N N 15 121.466 0.5 . 9 . . . . 67 E N . 15345 1 513 . 1 1 63 63 GLY H H 1 8.215 0.05 . 9 . . . . 68 G HN . 15345 1 514 . 1 1 63 63 GLY HA2 H 1 3.921 0.05 . 9 . . . . 68 G HA1 . 15345 1 515 . 1 1 63 63 GLY CA C 13 47.327 0.5 . 9 . . . . 68 G CA . 15345 1 516 . 1 1 63 63 GLY N N 15 107.902 0.5 . 9 . . . . 68 G N . 15345 1 517 . 1 1 64 64 ALA H H 1 7.794 0.05 . 9 . . . . 69 A HN . 15345 1 518 . 1 1 64 64 ALA HB1 H 1 1.450 0.05 . 9 . . . . 69 A HB1 . 15345 1 519 . 1 1 64 64 ALA HB2 H 1 1.450 0.05 . 9 . . . . 69 A HB1 . 15345 1 520 . 1 1 64 64 ALA HB3 H 1 1.450 0.05 . 9 . . . . 69 A HB1 . 15345 1 521 . 1 1 64 64 ALA CA C 13 55.299 0.5 . 9 . . . . 69 A CA . 15345 1 522 . 1 1 64 64 ALA CB C 13 17.857 0.5 . 9 . . . . 69 A CB . 15345 1 523 . 1 1 64 64 ALA N N 15 126.395 0.5 . 9 . . . . 69 A N . 15345 1 524 . 1 1 65 65 GLN H H 1 8.872 0.05 . 9 . . . . 70 Q HN . 15345 1 525 . 1 1 65 65 GLN HA H 1 3.895 0.05 . 9 . . . . 70 Q HA . 15345 1 526 . 1 1 65 65 GLN HG2 H 1 2.466 0.05 . 9 . . . . 70 Q HG1 . 15345 1 527 . 1 1 65 65 GLN HG3 H 1 2.349 0.05 . 9 . . . . 70 Q HG2 . 15345 1 528 . 1 1 65 65 GLN CA C 13 60.223 0.5 . 9 . . . . 70 Q CA . 15345 1 529 . 1 1 65 65 GLN CB C 13 29.039 0.5 . 9 . . . . 70 Q CB . 15345 1 530 . 1 1 65 65 GLN CG C 13 34.860 0.5 . 9 . . . . 70 Q CG . 15345 1 531 . 1 1 65 65 GLN N N 15 117.665 0.5 . 9 . . . . 70 Q N . 15345 1 532 . 1 1 66 66 GLY H H 1 8.322 0.05 . 9 . . . . 71 G HN . 15345 1 533 . 1 1 66 66 GLY HA2 H 1 3.960 0.05 . 9 . . . . 71 G HA1 . 15345 1 534 . 1 1 66 66 GLY HA3 H 1 3.862 0.05 . 9 . . . . 71 G HA2 . 15345 1 535 . 1 1 66 66 GLY CA C 13 47.327 0.5 . 9 . . . . 71 G CA . 15345 1 536 . 1 1 66 66 GLY N N 15 106.226 0.5 . 9 . . . . 71 G N . 15345 1 537 . 1 1 67 67 ALA H H 1 7.646 0.05 . 9 . . . . 72 A HN . 15345 1 538 . 1 1 67 67 ALA HA H 1 4.106 0.05 . 9 . . . . 72 A HA . 15345 1 539 . 1 1 67 67 ALA HB1 H 1 1.474 0.05 . 9 . . . . 72 A HB1 . 15345 1 540 . 1 1 67 67 ALA HB2 H 1 1.474 0.05 . 9 . . . . 72 A HB1 . 15345 1 541 . 1 1 67 67 ALA HB3 H 1 1.474 0.05 . 9 . . . . 72 A HB1 . 15345 1 542 . 1 1 67 67 ALA CA C 13 55.299 0.5 . 9 . . . . 72 A CA . 15345 1 543 . 1 1 67 67 ALA CB C 13 18.601 0.5 . 9 . . . . 72 A CB . 15345 1 544 . 1 1 67 67 ALA N N 15 124.764 0.5 . 9 . . . . 72 A N . 15345 1 545 . 1 1 68 68 LEU H H 1 8.069 0.05 . 9 . . . . 73 L HN . 15345 1 546 . 1 1 68 68 LEU HA H 1 3.705 0.05 . 9 . . . . 73 L HA . 15345 1 547 . 1 1 68 68 LEU HB2 H 1 2.064 0.05 . 9 . . . . 73 L HB1 . 15345 1 548 . 1 1 68 68 LEU CA C 13 58.406 0.5 . 9 . . . . 73 L CA . 15345 1 549 . 1 1 68 68 LEU CB C 13 42.399 0.5 . 9 . . . . 73 L CB . 15345 1 550 . 1 1 68 68 LEU CD1 C 13 25.508 0.5 . 9 . . . . 73 L CD1 . 15345 1 551 . 1 1 68 68 LEU CD2 C 13 23.636 0.5 . 9 . . . . 73 L CD2 . 15345 1 552 . 1 1 68 68 LEU CG C 13 26.795 0.5 . 9 . . . . 73 L CG . 15345 1 553 . 1 1 68 68 LEU N N 15 119.005 0.5 . 9 . . . . 73 L N . 15345 1 554 . 1 1 69 69 GLU H H 1 8.384 0.05 . 9 . . . . 74 E HN . 15345 1 555 . 1 1 69 69 GLU HA H 1 3.773 0.05 . 9 . . . . 74 E HA . 15345 1 556 . 1 1 69 69 GLU HB2 H 1 2.056 0.05 . 9 . . . . 74 E HB1 . 15345 1 557 . 1 1 69 69 GLU HG2 H 1 2.356 0.05 . 9 . . . . 74 E HG1 . 15345 1 558 . 1 1 69 69 GLU HG3 H 1 2.150 0.05 . 9 . . . . 74 E HG2 . 15345 1 559 . 1 1 69 69 GLU CA C 13 59.897 0.5 . 9 . . . . 74 E CA . 15345 1 560 . 1 1 69 69 GLU CB C 13 29.728 0.5 . 9 . . . . 74 E CB . 15345 1 561 . 1 1 69 69 GLU CG C 13 36.636 0.5 . 9 . . . . 74 E CG . 15345 1 562 . 1 1 69 69 GLU N N 15 118.083 0.5 . 9 . . . . 74 E N . 15345 1 563 . 1 1 70 70 ARG H H 1 7.678 0.05 . 9 . . . . 75 R HN . 15345 1 564 . 1 1 70 70 ARG HA H 1 3.950 0.05 . 9 . . . . 75 R HA . 15345 1 565 . 1 1 70 70 ARG HB2 H 1 1.841 0.05 . 9 . . . . 75 R HB1 . 15345 1 566 . 1 1 70 70 ARG HB3 H 1 2.114 0.05 . 9 . . . . 75 R HB2 . 15345 1 567 . 1 1 70 70 ARG CA C 13 59.995 0.5 . 9 . . . . 75 R CA . 15345 1 568 . 1 1 70 70 ARG CB C 13 30.419 0.5 . 9 . . . . 75 R CB . 15345 1 569 . 1 1 70 70 ARG CD C 13 43.696 0.5 . 9 . . . . 75 R CD . 15345 1 570 . 1 1 70 70 ARG CG C 13 28.203 0.5 . 9 . . . . 75 R CG . 15345 1 571 . 1 1 70 70 ARG N N 15 117.438 0.5 . 9 . . . . 75 R N . 15345 1 572 . 1 1 71 71 GLU H H 1 7.753 0.05 . 9 . . . . 76 E HN . 15345 1 573 . 1 1 71 71 GLU HA H 1 3.971 0.05 . 9 . . . . 76 E HA . 15345 1 574 . 1 1 71 71 GLU HB2 H 1 1.684 0.05 . 9 . . . . 76 E HB1 . 15345 1 575 . 1 1 71 71 GLU HG2 H 1 2.197 0.05 . 9 . . . . 76 E HG1 . 15345 1 576 . 1 1 71 71 GLU CA C 13 58.767 0.5 . 9 . . . . 76 E CA . 15345 1 577 . 1 1 71 71 GLU CB C 13 29.524 0.5 . 9 . . . . 76 E CB . 15345 1 578 . 1 1 71 71 GLU CG C 13 36.031 0.5 . 9 . . . . 76 E CG . 15345 1 579 . 1 1 71 71 GLU N N 15 120.728 0.5 . 9 . . . . 76 E N . 15345 1 580 . 1 1 72 72 LEU H H 1 7.948 0.05 . 9 . . . . 77 L HN . 15345 1 581 . 1 1 72 72 LEU HA H 1 4.038 0.05 . 9 . . . . 77 L HA . 15345 1 582 . 1 1 72 72 LEU HB2 H 1 1.878 0.05 . 9 . . . . 77 L HB1 . 15345 1 583 . 1 1 72 72 LEU HB3 H 1 1.598 0.05 . 9 . . . . 77 L HB2 . 15345 1 584 . 1 1 72 72 LEU HD11 H 1 0.717 0.05 . 9 . . . . 77 L HD11 . 15345 1 585 . 1 1 72 72 LEU HD12 H 1 0.717 0.05 . 9 . . . . 77 L HD11 . 15345 1 586 . 1 1 72 72 LEU HD13 H 1 0.717 0.05 . 9 . . . . 77 L HD11 . 15345 1 587 . 1 1 72 72 LEU HG H 1 1.519 0.05 . 9 . . . . 77 L HG . 15345 1 588 . 1 1 72 72 LEU CA C 13 56.936 0.5 . 9 . . . . 77 L CA . 15345 1 589 . 1 1 72 72 LEU CB C 13 42.383 0.5 . 9 . . . . 77 L CB . 15345 1 590 . 1 1 72 72 LEU CD1 C 13 25.177 0.5 . 9 . . . . 77 L CD1 . 15345 1 591 . 1 1 72 72 LEU CG C 13 28.203 0.5 . 9 . . . . 77 L CG . 15345 1 592 . 1 1 72 72 LEU N N 15 115.663 0.5 . 9 . . . . 77 L N . 15345 1 593 . 1 1 73 73 LYS H H 1 7.308 0.05 . 9 . . . . 78 K HN . 15345 1 594 . 1 1 73 73 LYS HA H 1 4.193 0.05 . 9 . . . . 78 K HA . 15345 1 595 . 1 1 73 73 LYS HB2 H 1 1.948 0.05 . 9 . . . . 78 K HB1 . 15345 1 596 . 1 1 73 73 LYS HB3 H 1 1.873 0.05 . 9 . . . . 78 K HB2 . 15345 1 597 . 1 1 73 73 LYS HG2 H 1 1.508 0.05 . 9 . . . . 78 K HG1 . 15345 1 598 . 1 1 73 73 LYS CA C 13 57.410 0.5 . 9 . . . . 78 K CA . 15345 1 599 . 1 1 73 73 LYS CB C 13 32.921 0.5 . 9 . . . . 78 K CB . 15345 1 600 . 1 1 73 73 LYS CD C 13 29.293 0.5 . 9 . . . . 78 K CD . 15345 1 601 . 1 1 73 73 LYS CE C 13 42.364 0.5 . 9 . . . . 78 K CE . 15345 1 602 . 1 1 73 73 LYS CG C 13 25.540 0.5 . 9 . . . . 78 K CG . 15345 1 603 . 1 1 73 73 LYS N N 15 117.589 0.5 . 9 . . . . 78 K N . 15345 1 604 . 1 1 74 74 ARG H H 1 7.806 0.05 . 9 . . . . 79 R HN . 15345 1 605 . 1 1 74 74 ARG CA C 13 57.860 0.5 . 9 . . . . 79 R CA . 15345 1 606 . 1 1 74 74 ARG CB C 13 32.092 0.5 . 9 . . . . 79 R CB . 15345 1 607 . 1 1 74 74 ARG CG C 13 27.729 0.5 . 9 . . . . 79 R CG . 15345 1 608 . 1 1 74 74 ARG N N 15 119.690 0.5 . 9 . . . . 79 R N . 15345 1 609 . 1 1 75 75 THR H H 1 8.631 0.05 . 9 . . . . 80 T HN . 15345 1 610 . 1 1 75 75 THR HA H 1 4.446 0.05 . 9 . . . . 80 T HA . 15345 1 611 . 1 1 75 75 THR HB H 1 4.536 0.05 . 9 . . . . 80 T HB . 15345 1 612 . 1 1 75 75 THR HG21 H 1 1.245 0.05 . 9 . . . . 80 T HG21 . 15345 1 613 . 1 1 75 75 THR HG22 H 1 1.245 0.05 . 9 . . . . 80 T HG21 . 15345 1 614 . 1 1 75 75 THR HG23 H 1 1.245 0.05 . 9 . . . . 80 T HG21 . 15345 1 615 . 1 1 75 75 THR CA C 13 61.919 0.5 . 9 . . . . 80 T CA . 15345 1 616 . 1 1 75 75 THR CB C 13 69.171 0.5 . 9 . . . . 80 T CB . 15345 1 617 . 1 1 75 75 THR CG2 C 13 21.909 0.5 . 9 . . . . 80 T CG2 . 15345 1 618 . 1 1 75 75 THR N N 15 109.130 0.5 . 9 . . . . 80 T N . 15345 1 619 . 1 1 76 76 ASP H H 1 8.578 0.05 . 9 . . . . 81 D HN . 15345 1 620 . 1 1 76 76 ASP HA H 1 4.689 0.05 . 9 . . . . 81 D HA . 15345 1 621 . 1 1 76 76 ASP HB2 H 1 2.995 0.05 . 9 . . . . 81 D HB1 . 15345 1 622 . 1 1 76 76 ASP HB3 H 1 2.518 0.05 . 9 . . . . 81 D HB2 . 15345 1 623 . 1 1 76 76 ASP CA C 13 53.288 0.5 . 9 . . . . 81 D CA . 15345 1 624 . 1 1 76 76 ASP CB C 13 40.528 0.5 . 9 . . . . 81 D CB . 15345 1 625 . 1 1 76 76 ASP N N 15 120.049 0.5 . 9 . . . . 81 D N . 15345 1 626 . 1 1 77 77 LEU H H 1 7.026 0.05 . 9 . . . . 82 L HN . 15345 1 627 . 1 1 77 77 LEU HA H 1 4.466 0.05 . 9 . . . . 82 L HA . 15345 1 628 . 1 1 77 77 LEU HB2 H 1 1.655 0.05 . 9 . . . . 82 L HB1 . 15345 1 629 . 1 1 77 77 LEU HD11 H 1 0.915 0.05 . 9 . . . . 82 L HD11 . 15345 1 630 . 1 1 77 77 LEU HD12 H 1 0.915 0.05 . 9 . . . . 82 L HD11 . 15345 1 631 . 1 1 77 77 LEU HD13 H 1 0.915 0.05 . 9 . . . . 82 L HD11 . 15345 1 632 . 1 1 77 77 LEU HD21 H 1 0.874 0.05 . 9 . . . . 82 L HD21 . 15345 1 633 . 1 1 77 77 LEU HD22 H 1 0.874 0.05 . 9 . . . . 82 L HD21 . 15345 1 634 . 1 1 77 77 LEU HD23 H 1 0.874 0.05 . 9 . . . . 82 L HD21 . 15345 1 635 . 1 1 77 77 LEU CA C 13 54.807 0.5 . 9 . . . . 82 L CA . 15345 1 636 . 1 1 77 77 LEU CB C 13 43.309 0.5 . 9 . . . . 82 L CB . 15345 1 637 . 1 1 77 77 LEU CG C 13 26.751 0.5 . 9 . . . . 82 L CG . 15345 1 638 . 1 1 77 77 LEU N N 15 118.530 0.5 . 9 . . . . 82 L N . 15345 1 639 . 1 1 78 78 ASN H H 1 9.425 0.05 . 9 . . . . 83 N HN . 15345 1 640 . 1 1 78 78 ASN HA H 1 4.751 0.05 . 9 . . . . 83 N HA . 15345 1 641 . 1 1 78 78 ASN HB2 H 1 3.218 0.05 . 9 . . . . 83 N HB1 . 15345 1 642 . 1 1 78 78 ASN HB3 H 1 2.814 0.05 . 9 . . . . 83 N HB2 . 15345 1 643 . 1 1 78 78 ASN CA C 13 52.720 0.5 . 9 . . . . 83 N CA . 15345 1 644 . 1 1 78 78 ASN CB C 13 38.944 0.5 . 9 . . . . 83 N CB . 15345 1 645 . 1 1 78 78 ASN N N 15 124.039 0.5 . 9 . . . . 83 N N . 15345 1 646 . 1 1 79 79 ILE H H 1 8.203 0.05 . 9 . . . . 84 I HN . 15345 1 647 . 1 1 79 79 ILE HA H 1 3.823 0.05 . 9 . . . . 84 I HA . 15345 1 648 . 1 1 79 79 ILE HB H 1 1.812 0.05 . 9 . . . . 84 I HB . 15345 1 649 . 1 1 79 79 ILE HD11 H 1 0.913 0.05 . 9 . . . . 84 I HD11 . 15345 1 650 . 1 1 79 79 ILE HD12 H 1 0.913 0.05 . 9 . . . . 84 I HD11 . 15345 1 651 . 1 1 79 79 ILE HD13 H 1 0.913 0.05 . 9 . . . . 84 I HD11 . 15345 1 652 . 1 1 79 79 ILE HG12 H 1 1.519 0.05 . 9 . . . . 84 I HG11 . 15345 1 653 . 1 1 79 79 ILE HG13 H 1 1.216 0.05 . 9 . . . . 84 I HG12 . 15345 1 654 . 1 1 79 79 ILE CA C 13 65.114 0.5 . 9 . . . . 84 I CA . 15345 1 655 . 1 1 79 79 ILE CB C 13 38.419 0.5 . 9 . . . . 84 I CB . 15345 1 656 . 1 1 79 79 ILE CD1 C 13 17.523 0.5 . 9 . . . . 84 I CD1 . 15345 1 657 . 1 1 79 79 ILE CG1 C 13 28.556 0.5 . 9 . . . . 84 I CG1 . 15345 1 658 . 1 1 79 79 ILE CG2 C 13 13.550 0.5 . 9 . . . . 84 I CG2 . 15345 1 659 . 1 1 79 79 ILE N N 15 118.878 0.5 . 9 . . . . 84 I N . 15345 1 660 . 1 1 80 80 LEU H H 1 7.871 0.05 . 9 . . . . 85 L HN . 15345 1 661 . 1 1 80 80 LEU HA H 1 4.203 0.05 . 9 . . . . 85 L HA . 15345 1 662 . 1 1 80 80 LEU HB2 H 1 1.619 0.05 . 9 . . . . 85 L HB1 . 15345 1 663 . 1 1 80 80 LEU HD11 H 1 0.825 0.05 . 9 . . . . 85 L HD11 . 15345 1 664 . 1 1 80 80 LEU HD12 H 1 0.825 0.05 . 9 . . . . 85 L HD11 . 15345 1 665 . 1 1 80 80 LEU HD13 H 1 0.825 0.05 . 9 . . . . 85 L HD11 . 15345 1 666 . 1 1 80 80 LEU CA C 13 57.881 0.5 . 9 . . . . 85 L CA . 15345 1 667 . 1 1 80 80 LEU CB C 13 41.936 0.5 . 9 . . . . 85 L CB . 15345 1 668 . 1 1 80 80 LEU CD1 C 13 24.330 0.5 . 9 . . . . 85 L CD1 . 15345 1 669 . 1 1 80 80 LEU CG C 13 27.290 0.5 . 9 . . . . 85 L CG . 15345 1 670 . 1 1 80 80 LEU N N 15 122.472 0.5 . 9 . . . . 85 L N . 15345 1 671 . 1 1 81 81 GLU H H 1 8.093 0.05 . 9 . . . . 86 E HN . 15345 1 672 . 1 1 81 81 GLU HA H 1 4.322 0.05 . 9 . . . . 86 E HA . 15345 1 673 . 1 1 81 81 GLU HB2 H 1 2.319 0.05 . 9 . . . . 86 E HB1 . 15345 1 674 . 1 1 81 81 GLU CA C 13 59.352 0.5 . 9 . . . . 86 E CA . 15345 1 675 . 1 1 81 81 GLU CB C 13 30.674 0.5 . 9 . . . . 86 E CB . 15345 1 676 . 1 1 81 81 GLU CG C 13 37.150 0.5 . 9 . . . . 86 E CG . 15345 1 677 . 1 1 81 81 GLU N N 15 119.600 0.5 . 9 . . . . 86 E N . 15345 1 678 . 1 1 82 82 ARG H H 1 8.282 0.05 . 9 . . . . 87 R HN . 15345 1 679 . 1 1 82 82 ARG HA H 1 3.775 0.05 . 9 . . . . 87 R HA . 15345 1 680 . 1 1 82 82 ARG HB2 H 1 1.851 0.05 . 9 . . . . 87 R HB1 . 15345 1 681 . 1 1 82 82 ARG CA C 13 61.153 0.5 . 9 . . . . 87 R CA . 15345 1 682 . 1 1 82 82 ARG CB C 13 29.735 0.5 . 9 . . . . 87 R CB . 15345 1 683 . 1 1 82 82 ARG CD C 13 42.726 0.5 . 9 . . . . 87 R CD . 15345 1 684 . 1 1 82 82 ARG CG C 13 27.601 0.5 . 9 . . . . 87 R CG . 15345 1 685 . 1 1 82 82 ARG N N 15 117.344 0.5 . 9 . . . . 87 R N . 15345 1 686 . 1 1 83 83 PHE H H 1 8.071 0.05 . 9 . . . . 88 F HN . 15345 1 687 . 1 1 83 83 PHE HA H 1 4.322 0.05 . 9 . . . . 88 F HA . 15345 1 688 . 1 1 83 83 PHE HB2 H 1 3.256 0.05 . 9 . . . . 88 F HB1 . 15345 1 689 . 1 1 83 83 PHE CA C 13 61.432 0.5 . 9 . . . . 88 F CA . 15345 1 690 . 1 1 83 83 PHE CB C 13 39.051 0.5 . 9 . . . . 88 F CB . 15345 1 691 . 1 1 83 83 PHE N N 15 118.434 0.5 . 9 . . . . 88 F N . 15345 1 692 . 1 1 84 84 ASN H H 1 8.286 0.05 . 9 . . . . 89 N HN . 15345 1 693 . 1 1 84 84 ASN HA H 1 4.380 0.05 . 9 . . . . 89 N HA . 15345 1 694 . 1 1 84 84 ASN HB2 H 1 2.837 0.05 . 9 . . . . 89 N HB1 . 15345 1 695 . 1 1 84 84 ASN HB3 H 1 2.600 0.05 . 9 . . . . 89 N HB2 . 15345 1 696 . 1 1 84 84 ASN CA C 13 56.505 0.5 . 9 . . . . 89 N CA . 15345 1 697 . 1 1 84 84 ASN CB C 13 38.176 0.5 . 9 . . . . 89 N CB . 15345 1 698 . 1 1 84 84 ASN N N 15 117.679 0.5 . 9 . . . . 89 N N . 15345 1 699 . 1 1 85 85 TYR H H 1 8.419 0.05 . 9 . . . . 90 Y HN . 15345 1 700 . 1 1 85 85 TYR CA C 13 59.989 0.5 . 9 . . . . 90 Y CA . 15345 1 701 . 1 1 85 85 TYR CB C 13 37.948 0.5 . 9 . . . . 90 Y CB . 15345 1 702 . 1 1 85 85 TYR N N 15 120.843 0.5 . 9 . . . . 90 Y N . 15345 1 703 . 1 1 86 86 GLU H H 1 8.931 0.05 . 9 . . . . 91 E HN . 15345 1 704 . 1 1 86 86 GLU HA H 1 4.096 0.05 . 9 . . . . 91 E HA . 15345 1 705 . 1 1 86 86 GLU HB2 H 1 2.534 0.05 . 9 . . . . 91 E HB1 . 15345 1 706 . 1 1 86 86 GLU HB3 H 1 2.485 0.05 . 9 . . . . 91 E HB2 . 15345 1 707 . 1 1 86 86 GLU HG2 H 1 2.612 0.05 . 9 . . . . 91 E HG1 . 15345 1 708 . 1 1 86 86 GLU CA C 13 60.223 0.5 . 9 . . . . 91 E CA . 15345 1 709 . 1 1 86 86 GLU CB C 13 29.742 0.5 . 9 . . . . 91 E CB . 15345 1 710 . 1 1 86 86 GLU CG C 13 36.918 0.5 . 9 . . . . 91 E CG . 15345 1 711 . 1 1 86 86 GLU N N 15 120.796 0.5 . 9 . . . . 91 E N . 15345 1 712 . 1 1 87 87 GLU H H 1 8.023 0.05 . 9 . . . . 92 E HN . 15345 1 713 . 1 1 87 87 GLU CA C 13 58.577 0.5 . 9 . . . . 92 E CA . 15345 1 714 . 1 1 87 87 GLU CB C 13 29.007 0.5 . 9 . . . . 92 E CB . 15345 1 715 . 1 1 87 87 GLU CG C 13 34.376 0.5 . 9 . . . . 92 E CG . 15345 1 716 . 1 1 87 87 GLU N N 15 118.390 0.5 . 9 . . . . 92 E N . 15345 1 717 . 1 1 88 88 ALA H H 1 8.430 0.05 . 9 . . . . 93 A HN . 15345 1 718 . 1 1 88 88 ALA HA H 1 4.204 0.05 . 9 . . . . 93 A HA . 15345 1 719 . 1 1 88 88 ALA HB1 H 1 1.499 0.05 . 9 . . . . 93 A HB1 . 15345 1 720 . 1 1 88 88 ALA HB2 H 1 1.499 0.05 . 9 . . . . 93 A HB1 . 15345 1 721 . 1 1 88 88 ALA HB3 H 1 1.499 0.05 . 9 . . . . 93 A HB1 . 15345 1 722 . 1 1 88 88 ALA CA C 13 55.780 0.5 . 9 . . . . 93 A CA . 15345 1 723 . 1 1 88 88 ALA CB C 13 17.791 0.5 . 9 . . . . 93 A CB . 15345 1 724 . 1 1 88 88 ALA N N 15 123.646 0.5 . 9 . . . . 93 A N . 15345 1 725 . 1 1 89 89 GLN H H 1 8.713 0.05 . 9 . . . . 94 Q HN . 15345 1 726 . 1 1 89 89 GLN HA H 1 3.924 0.05 . 9 . . . . 94 Q HA . 15345 1 727 . 1 1 89 89 GLN HB2 H 1 2.015 0.05 . 9 . . . . 94 Q HB1 . 15345 1 728 . 1 1 89 89 GLN HB3 H 1 2.289 0.05 . 9 . . . . 94 Q HB2 . 15345 1 729 . 1 1 89 89 GLN HG2 H 1 2.187 0.05 . 9 . . . . 94 Q HG1 . 15345 1 730 . 1 1 89 89 GLN HG3 H 1 2.475 0.05 . 9 . . . . 94 Q HG2 . 15345 1 731 . 1 1 89 89 GLN CA C 13 59.989 0.5 . 9 . . . . 94 Q CA . 15345 1 732 . 1 1 89 89 GLN CB C 13 29.039 0.5 . 9 . . . . 94 Q CB . 15345 1 733 . 1 1 89 89 GLN CG C 13 34.376 0.5 . 9 . . . . 94 Q CG . 15345 1 734 . 1 1 89 89 GLN N N 15 120.560 0.5 . 9 . . . . 94 Q N . 15345 1 735 . 1 1 90 90 THR H H 1 8.689 0.05 . 9 . . . . 95 T HN . 15345 1 736 . 1 1 90 90 THR HA H 1 3.798 0.05 . 9 . . . . 95 T HA . 15345 1 737 . 1 1 90 90 THR HG21 H 1 1.236 0.05 . 9 . . . . 95 T HG21 . 15345 1 738 . 1 1 90 90 THR HG22 H 1 1.236 0.05 . 9 . . . . 95 T HG21 . 15345 1 739 . 1 1 90 90 THR HG23 H 1 1.236 0.05 . 9 . . . . 95 T HG21 . 15345 1 740 . 1 1 90 90 THR CA C 13 67.726 0.5 . 9 . . . . 95 T CA . 15345 1 741 . 1 1 90 90 THR CB C 13 68.899 0.5 . 9 . . . . 95 T CB . 15345 1 742 . 1 1 90 90 THR CG2 C 13 22.030 0.5 . 9 . . . . 95 T CG2 . 15345 1 743 . 1 1 90 90 THR N N 15 119.977 0.5 . 9 . . . . 95 T N . 15345 1 744 . 1 1 91 91 LEU H H 1 8.113 0.05 . 9 . . . . 96 L HN . 15345 1 745 . 1 1 91 91 LEU HA H 1 4.086 0.05 . 9 . . . . 96 L HA . 15345 1 746 . 1 1 91 91 LEU HB2 H 1 1.903 0.05 . 9 . . . . 96 L HB1 . 15345 1 747 . 1 1 91 91 LEU HB3 H 1 1.574 0.05 . 9 . . . . 96 L HB2 . 15345 1 748 . 1 1 91 91 LEU HD11 H 1 0.894 0.05 . 9 . . . . 96 L HD11 . 15345 1 749 . 1 1 91 91 LEU HD12 H 1 0.894 0.05 . 9 . . . . 96 L HD11 . 15345 1 750 . 1 1 91 91 LEU HD13 H 1 0.894 0.05 . 9 . . . . 96 L HD11 . 15345 1 751 . 1 1 91 91 LEU HD21 H 1 0.922 0.05 . 9 . . . . 96 L HD21 . 15345 1 752 . 1 1 91 91 LEU HD22 H 1 0.922 0.05 . 9 . . . . 96 L HD21 . 15345 1 753 . 1 1 91 91 LEU HD23 H 1 0.922 0.05 . 9 . . . . 96 L HD21 . 15345 1 754 . 1 1 91 91 LEU HG H 1 1.743 0.05 . 9 . . . . 96 L HG . 15345 1 755 . 1 1 91 91 LEU CA C 13 58.612 0.5 . 9 . . . . 96 L CA . 15345 1 756 . 1 1 91 91 LEU CB C 13 41.917 0.5 . 9 . . . . 96 L CB . 15345 1 757 . 1 1 91 91 LEU CD1 C 13 24.693 0.5 . 9 . . . . 96 L CD1 . 15345 1 758 . 1 1 91 91 LEU CD2 C 13 23.791 0.5 . 9 . . . . 96 L CD2 . 15345 1 759 . 1 1 91 91 LEU CG C 13 27.066 0.5 . 9 . . . . 96 L CG . 15345 1 760 . 1 1 91 91 LEU N N 15 121.293 0.5 . 9 . . . . 96 L N . 15345 1 761 . 1 1 92 92 SER H H 1 8.551 0.05 . 9 . . . . 97 S HN . 15345 1 762 . 1 1 92 92 SER HA H 1 3.949 0.05 . 9 . . . . 97 S HA . 15345 1 763 . 1 1 92 92 SER HB2 H 1 3.881 0.05 . 9 . . . . 97 S HB1 . 15345 1 764 . 1 1 92 92 SER CA C 13 63.271 0.5 . 9 . . . . 97 S CA . 15345 1 765 . 1 1 92 92 SER CB C 13 62.802 0.5 . 9 . . . . 97 S CB . 15345 1 766 . 1 1 92 92 SER N N 15 115.748 0.5 . 9 . . . . 97 S N . 15345 1 767 . 1 1 93 93 LYS H H 1 7.761 0.05 . 9 . . . . 98 K HN . 15345 1 768 . 1 1 93 93 LYS HA H 1 3.969 0.05 . 9 . . . . 98 K HA . 15345 1 769 . 1 1 93 93 LYS HB2 H 1 1.997 0.05 . 9 . . . . 98 K HB1 . 15345 1 770 . 1 1 93 93 LYS HB3 H 1 1.890 0.05 . 9 . . . . 98 K HB2 . 15345 1 771 . 1 1 93 93 LYS HG2 H 1 1.382 0.05 . 9 . . . . 98 K HG1 . 15345 1 772 . 1 1 93 93 LYS CA C 13 60.331 0.5 . 9 . . . . 98 K CA . 15345 1 773 . 1 1 93 93 LYS CB C 13 32.832 0.5 . 9 . . . . 98 K CB . 15345 1 774 . 1 1 93 93 LYS CD C 13 29.777 0.5 . 9 . . . . 98 K CD . 15345 1 775 . 1 1 93 93 LYS CE C 13 42.243 0.5 . 9 . . . . 98 K CE . 15345 1 776 . 1 1 93 93 LYS CG C 13 26.146 0.5 . 9 . . . . 98 K CG . 15345 1 777 . 1 1 93 93 LYS N N 15 122.574 0.5 . 9 . . . . 98 K N . 15345 1 778 . 1 1 94 94 ILE H H 1 7.817 0.05 . 9 . . . . 99 I HN . 15345 1 779 . 1 1 94 94 ILE HA H 1 3.647 0.05 . 9 . . . . 99 I HA . 15345 1 780 . 1 1 94 94 ILE HB H 1 1.914 0.05 . 9 . . . . 99 I HB . 15345 1 781 . 1 1 94 94 ILE CA C 13 65.424 0.5 . 9 . . . . 99 I CA . 15345 1 782 . 1 1 94 94 ILE CB C 13 38.766 0.5 . 9 . . . . 99 I CB . 15345 1 783 . 1 1 94 94 ILE CD1 C 13 13.597 0.5 . 9 . . . . 99 I CD1 . 15345 1 784 . 1 1 94 94 ILE CG1 C 13 29.051 0.5 . 9 . . . . 99 I CG1 . 15345 1 785 . 1 1 94 94 ILE CG2 C 13 17.436 0.5 . 9 . . . . 99 I CG2 . 15345 1 786 . 1 1 94 94 ILE N N 15 122.508 0.5 . 9 . . . . 99 I N . 15345 1 787 . 1 1 95 95 LEU H H 1 7.931 0.05 . 9 . . . . 100 L HN . 15345 1 788 . 1 1 95 95 LEU HA H 1 4.253 0.05 . 9 . . . . 100 L HA . 15345 1 789 . 1 1 95 95 LEU HB2 H 1 1.812 0.05 . 9 . . . . 100 L HB1 . 15345 1 790 . 1 1 95 95 LEU HD11 H 1 0.943 0.05 . 9 . . . . 100 L HD11 . 15345 1 791 . 1 1 95 95 LEU HD12 H 1 0.943 0.05 . 9 . . . . 100 L HD11 . 15345 1 792 . 1 1 95 95 LEU HD13 H 1 0.943 0.05 . 9 . . . . 100 L HD11 . 15345 1 793 . 1 1 95 95 LEU HG H 1 1.704 0.05 . 9 . . . . 100 L HG . 15345 1 794 . 1 1 95 95 LEU CA C 13 58.014 0.5 . 9 . . . . 100 L CA . 15345 1 795 . 1 1 95 95 LEU CB C 13 42.176 0.5 . 9 . . . . 100 L CB . 15345 1 796 . 1 1 95 95 LEU CD1 C 13 24.693 0.5 . 9 . . . . 100 L CD1 . 15345 1 797 . 1 1 95 95 LEU CG C 13 27.543 0.5 . 9 . . . . 100 L CG . 15345 1 798 . 1 1 95 95 LEU N N 15 120.388 0.5 . 9 . . . . 100 L N . 15345 1 799 . 1 1 96 96 LEU H H 1 8.342 0.05 . 9 . . . . 101 L HN . 15345 1 800 . 1 1 96 96 LEU HA H 1 4.094 0.05 . 9 . . . . 101 L HA . 15345 1 801 . 1 1 96 96 LEU HB2 H 1 1.763 0.05 . 9 . . . . 101 L HB1 . 15345 1 802 . 1 1 96 96 LEU HD11 H 1 1.030 0.05 . 9 . . . . 101 L HD11 . 15345 1 803 . 1 1 96 96 LEU HD12 H 1 1.030 0.05 . 9 . . . . 101 L HD11 . 15345 1 804 . 1 1 96 96 LEU HD13 H 1 1.030 0.05 . 9 . . . . 101 L HD11 . 15345 1 805 . 1 1 96 96 LEU CA C 13 58.605 0.5 . 9 . . . . 101 L CA . 15345 1 806 . 1 1 96 96 LEU CB C 13 42.089 0.5 . 9 . . . . 101 L CB . 15345 1 807 . 1 1 96 96 LEU CD1 C 13 25.177 0.5 . 9 . . . . 101 L CD1 . 15345 1 808 . 1 1 96 96 LEU CG C 13 27.598 0.5 . 9 . . . . 101 L CG . 15345 1 809 . 1 1 96 96 LEU N N 15 118.125 0.5 . 9 . . . . 101 L N . 15345 1 810 . 1 1 97 97 LYS H H 1 7.687 0.05 . 9 . . . . 102 K HN . 15345 1 811 . 1 1 97 97 LYS HA H 1 4.026 0.05 . 9 . . . . 102 K HA . 15345 1 812 . 1 1 97 97 LYS HB2 H 1 1.909 0.05 . 9 . . . . 102 K HB1 . 15345 1 813 . 1 1 97 97 LYS HB3 H 1 2.124 0.05 . 9 . . . . 102 K HB2 . 15345 1 814 . 1 1 97 97 LYS HD2 H 1 1.675 0.05 . 9 . . . . 102 K HD1 . 15345 1 815 . 1 1 97 97 LYS HG2 H 1 1.450 0.05 . 9 . . . . 102 K HG1 . 15345 1 816 . 1 1 97 97 LYS HG3 H 1 1.538 0.05 . 9 . . . . 102 K HG2 . 15345 1 817 . 1 1 97 97 LYS CA C 13 60.162 0.5 . 9 . . . . 102 K CA . 15345 1 818 . 1 1 97 97 LYS CB C 13 31.962 0.5 . 9 . . . . 102 K CB . 15345 1 819 . 1 1 97 97 LYS CD C 13 29.414 0.5 . 9 . . . . 102 K CD . 15345 1 820 . 1 1 97 97 LYS CE C 13 42.243 0.5 . 9 . . . . 102 K CE . 15345 1 821 . 1 1 97 97 LYS CG C 13 24.572 0.5 . 9 . . . . 102 K CG . 15345 1 822 . 1 1 97 97 LYS N N 15 119.938 0.5 . 9 . . . . 102 K N . 15345 1 823 . 1 1 98 98 ASP H H 1 8.189 0.05 . 9 . . . . 103 D HN . 15345 1 824 . 1 1 98 98 ASP HA H 1 4.504 0.05 . 9 . . . . 103 D HA . 15345 1 825 . 1 1 98 98 ASP HB2 H 1 2.593 0.05 . 9 . . . . 103 D HB1 . 15345 1 826 . 1 1 98 98 ASP HB3 H 1 2.837 0.05 . 9 . . . . 103 D HB2 . 15345 1 827 . 1 1 98 98 ASP CA C 13 57.862 0.5 . 9 . . . . 103 D CA . 15345 1 828 . 1 1 98 98 ASP CB C 13 40.675 0.5 . 9 . . . . 103 D CB . 15345 1 829 . 1 1 98 98 ASP N N 15 121.494 0.5 . 9 . . . . 103 D N . 15345 1 830 . 1 1 99 99 LEU H H 1 9.182 0.05 . 9 . . . . 104 L HN . 15345 1 831 . 1 1 99 99 LEU HA H 1 3.839 0.05 . 9 . . . . 104 L HA . 15345 1 832 . 1 1 99 99 LEU HB2 H 1 2.153 0.05 . 9 . . . . 104 L HB1 . 15345 1 833 . 1 1 99 99 LEU HB3 H 1 1.812 0.05 . 9 . . . . 104 L HB2 . 15345 1 834 . 1 1 99 99 LEU HD11 H 1 0.874 0.05 . 9 . . . . 104 L HD11 . 15345 1 835 . 1 1 99 99 LEU HD12 H 1 0.874 0.05 . 9 . . . . 104 L HD11 . 15345 1 836 . 1 1 99 99 LEU HD13 H 1 0.874 0.05 . 9 . . . . 104 L HD11 . 15345 1 837 . 1 1 99 99 LEU HD21 H 1 1.245 0.05 . 9 . . . . 104 L HD21 . 15345 1 838 . 1 1 99 99 LEU HD22 H 1 1.245 0.05 . 9 . . . . 104 L HD21 . 15345 1 839 . 1 1 99 99 LEU HD23 H 1 1.245 0.05 . 9 . . . . 104 L HD21 . 15345 1 840 . 1 1 99 99 LEU HG H 1 1.470 0.05 . 9 . . . . 104 L HG . 15345 1 841 . 1 1 99 99 LEU CA C 13 59.284 0.5 . 9 . . . . 104 L CA . 15345 1 842 . 1 1 99 99 LEU CB C 13 42.639 0.5 . 9 . . . . 104 L CB . 15345 1 843 . 1 1 99 99 LEU CD1 C 13 24.693 0.5 . 9 . . . . 104 L CD1 . 15345 1 844 . 1 1 99 99 LEU CG C 13 27.598 0.5 . 9 . . . . 104 L CG . 15345 1 845 . 1 1 99 99 LEU N N 15 125.067 0.5 . 9 . . . . 104 L N . 15345 1 846 . 1 1 100 100 LYS H H 1 8.571 0.05 . 9 . . . . 105 K HN . 15345 1 847 . 1 1 100 100 LYS HA H 1 4.141 0.05 . 9 . . . . 105 K HA . 15345 1 848 . 1 1 100 100 LYS HB2 H 1 2.104 0.05 . 9 . . . . 105 K HB1 . 15345 1 849 . 1 1 100 100 LYS HB3 H 1 1.870 0.05 . 9 . . . . 105 K HB2 . 15345 1 850 . 1 1 100 100 LYS HD2 H 1 1.694 0.05 . 9 . . . . 105 K HD1 . 15345 1 851 . 1 1 100 100 LYS HG2 H 1 1.607 0.05 . 9 . . . . 105 K HG1 . 15345 1 852 . 1 1 100 100 LYS CA C 13 58.582 0.5 . 9 . . . . 105 K CA . 15345 1 853 . 1 1 100 100 LYS CB C 13 31.383 0.5 . 9 . . . . 105 K CB . 15345 1 854 . 1 1 100 100 LYS CD C 13 28.324 0.5 . 9 . . . . 105 K CD . 15345 1 855 . 1 1 100 100 LYS CE C 13 42.515 0.5 . 9 . . . . 105 K CE . 15345 1 856 . 1 1 100 100 LYS CG C 13 25.298 0.5 . 9 . . . . 105 K CG . 15345 1 857 . 1 1 100 100 LYS N N 15 119.666 0.5 . 9 . . . . 105 K N . 15345 1 858 . 1 1 101 101 GLU H H 1 8.419 0.05 . 9 . . . . 106 E HN . 15345 1 859 . 1 1 101 101 GLU HA H 1 4.139 0.05 . 9 . . . . 106 E HA . 15345 1 860 . 1 1 101 101 GLU HB2 H 1 2.109 0.05 . 9 . . . . 106 E HB1 . 15345 1 861 . 1 1 101 101 GLU HB3 H 1 2.228 0.05 . 9 . . . . 106 E HB2 . 15345 1 862 . 1 1 101 101 GLU HG2 H 1 2.514 0.05 . 9 . . . . 106 E HG1 . 15345 1 863 . 1 1 101 101 GLU HG3 H 1 2.613 0.05 . 9 . . . . 106 E HG2 . 15345 1 864 . 1 1 101 101 GLU CA C 13 60.004 0.5 . 9 . . . . 106 E CA . 15345 1 865 . 1 1 101 101 GLU CB C 13 29.508 0.5 . 9 . . . . 106 E CB . 15345 1 866 . 1 1 101 101 GLU CG C 13 37.039 0.5 . 9 . . . . 106 E CG . 15345 1 867 . 1 1 101 101 GLU N N 15 121.991 0.5 . 9 . . . . 106 E N . 15345 1 868 . 1 1 102 102 THR H H 1 8.022 0.05 . 9 . . . . 107 T HN . 15345 1 869 . 1 1 102 102 THR HA H 1 3.794 0.05 . 9 . . . . 107 T HA . 15345 1 870 . 1 1 102 102 THR HG21 H 1 1.079 0.05 . 9 . . . . 107 T HG21 . 15345 1 871 . 1 1 102 102 THR HG22 H 1 1.079 0.05 . 9 . . . . 107 T HG21 . 15345 1 872 . 1 1 102 102 THR HG23 H 1 1.079 0.05 . 9 . . . . 107 T HG21 . 15345 1 873 . 1 1 102 102 THR CA C 13 68.415 0.5 . 9 . . . . 107 T CA . 15345 1 874 . 1 1 102 102 THR CG2 C 13 21.297 0.5 . 9 . . . . 107 T CG2 . 15345 1 875 . 1 1 102 102 THR N N 15 117.776 0.5 . 9 . . . . 107 T N . 15345 1 876 . 1 1 103 103 GLU H H 1 8.616 0.05 . 9 . . . . 108 E HN . 15345 1 877 . 1 1 103 103 GLU HA H 1 3.531 0.05 . 9 . . . . 108 E HA . 15345 1 878 . 1 1 103 103 GLU HB2 H 1 2.176 0.05 . 9 . . . . 108 E HB1 . 15345 1 879 . 1 1 103 103 GLU HG2 H 1 2.380 0.05 . 9 . . . . 108 E HG1 . 15345 1 880 . 1 1 103 103 GLU CA C 13 60.535 0.5 . 9 . . . . 108 E CA . 15345 1 881 . 1 1 103 103 GLU CB C 13 29.742 0.5 . 9 . . . . 108 E CB . 15345 1 882 . 1 1 103 103 GLU CG C 13 35.767 0.5 . 9 . . . . 108 E CG . 15345 1 883 . 1 1 103 103 GLU N N 15 122.176 0.5 . 9 . . . . 108 E N . 15345 1 884 . 1 1 104 104 GLN H H 1 7.717 0.05 . 9 . . . . 109 Q HN . 15345 1 885 . 1 1 104 104 GLN CA C 13 59.036 0.5 . 9 . . . . 109 Q CA . 15345 1 886 . 1 1 104 104 GLN CB C 13 28.500 0.5 . 9 . . . . 109 Q CB . 15345 1 887 . 1 1 104 104 GLN CG C 13 33.771 0.5 . 9 . . . . 109 Q CG . 15345 1 888 . 1 1 104 104 GLN N N 15 117.577 0.5 . 9 . . . . 109 Q N . 15345 1 889 . 1 1 105 105 LYS H H 1 7.597 0.05 . 9 . . . . 110 K HN . 15345 1 890 . 1 1 105 105 LYS HA H 1 4.030 0.05 . 9 . . . . 110 K HA . 15345 1 891 . 1 1 105 105 LYS HB2 H 1 1.877 0.05 . 9 . . . . 110 K HB1 . 15345 1 892 . 1 1 105 105 LYS HB3 H 1 2.031 0.05 . 9 . . . . 110 K HB2 . 15345 1 893 . 1 1 105 105 LYS HD2 H 1 1.330 0.05 . 9 . . . . 110 K HD1 . 15345 1 894 . 1 1 105 105 LYS HD3 H 1 1.628 0.05 . 9 . . . . 110 K HD2 . 15345 1 895 . 1 1 105 105 LYS HG2 H 1 1.467 0.05 . 9 . . . . 110 K HG1 . 15345 1 896 . 1 1 105 105 LYS HG3 H 1 1.718 0.05 . 9 . . . . 110 K HG2 . 15345 1 897 . 1 1 105 105 LYS CA C 13 59.989 0.5 . 9 . . . . 110 K CA . 15345 1 898 . 1 1 105 105 LYS CB C 13 33.259 0.5 . 9 . . . . 110 K CB . 15345 1 899 . 1 1 105 105 LYS CD C 13 30.019 0.5 . 9 . . . . 110 K CD . 15345 1 900 . 1 1 105 105 LYS CE C 13 42.485 0.5 . 9 . . . . 110 K CE . 15345 1 901 . 1 1 105 105 LYS CG C 13 26.146 0.5 . 9 . . . . 110 K CG . 15345 1 902 . 1 1 105 105 LYS N N 15 117.415 0.5 . 9 . . . . 110 K N . 15345 1 903 . 1 1 106 106 VAL H H 1 8.224 0.05 . 9 . . . . 111 V HN . 15345 1 904 . 1 1 106 106 VAL HA H 1 3.509 0.05 . 9 . . . . 111 V HA . 15345 1 905 . 1 1 106 106 VAL HB H 1 2.248 0.05 . 9 . . . . 111 V HB . 15345 1 906 . 1 1 106 106 VAL HG11 H 1 1.041 0.05 . 9 . . . . 111 V HG11 . 15345 1 907 . 1 1 106 106 VAL HG12 H 1 1.041 0.05 . 9 . . . . 111 V HG11 . 15345 1 908 . 1 1 106 106 VAL HG13 H 1 1.041 0.05 . 9 . . . . 111 V HG11 . 15345 1 909 . 1 1 106 106 VAL HG21 H 1 0.882 0.05 . 9 . . . . 111 V HG21 . 15345 1 910 . 1 1 106 106 VAL HG22 H 1 0.882 0.05 . 9 . . . . 111 V HG21 . 15345 1 911 . 1 1 106 106 VAL HG23 H 1 0.882 0.05 . 9 . . . . 111 V HG21 . 15345 1 912 . 1 1 106 106 VAL CA C 13 66.319 0.5 . 9 . . . . 111 V CA . 15345 1 913 . 1 1 106 106 VAL CB C 13 32.035 0.5 . 9 . . . . 111 V CB . 15345 1 914 . 1 1 106 106 VAL CG1 C 13 24.572 0.5 . 9 . . . . 111 V CG1 . 15345 1 915 . 1 1 106 106 VAL CG2 C 13 22.878 0.5 . 9 . . . . 111 V CG2 . 15345 1 916 . 1 1 106 106 VAL N N 15 118.069 0.5 . 9 . . . . 111 V N . 15345 1 917 . 1 1 107 107 LYS H H 1 8.149 0.05 . 9 . . . . 112 K HN . 15345 1 918 . 1 1 107 107 LYS CA C 13 59.759 0.5 . 9 . . . . 112 K CA . 15345 1 919 . 1 1 107 107 LYS CB C 13 32.962 0.5 . 9 . . . . 112 K CB . 15345 1 920 . 1 1 107 107 LYS CD C 13 28.445 0.5 . 9 . . . . 112 K CD . 15345 1 921 . 1 1 107 107 LYS CE C 13 42.364 0.5 . 9 . . . . 112 K CE . 15345 1 922 . 1 1 107 107 LYS CG C 13 27.235 0.5 . 9 . . . . 112 K CG . 15345 1 923 . 1 1 107 107 LYS N N 15 118.860 0.5 . 9 . . . . 112 K N . 15345 1 924 . 1 1 108 108 ASP H H 1 7.597 0.05 . 9 . . . . 113 D HN . 15345 1 925 . 1 1 108 108 ASP HA H 1 4.533 0.05 . 9 . . . . 113 D HA . 15345 1 926 . 1 1 108 108 ASP HB2 H 1 2.686 0.05 . 9 . . . . 113 D HB1 . 15345 1 927 . 1 1 108 108 ASP CA C 13 55.534 0.5 . 9 . . . . 113 D CA . 15345 1 928 . 1 1 108 108 ASP CB C 13 41.700 0.5 . 9 . . . . 113 D CB . 15345 1 929 . 1 1 108 108 ASP N N 15 117.415 0.5 . 9 . . . . 113 D N . 15345 1 930 . 1 1 109 109 ILE H H 1 6.970 0.05 . 9 . . . . 114 I HN . 15345 1 931 . 1 1 109 109 ILE HA H 1 3.812 0.05 . 9 . . . . 114 I HA . 15345 1 932 . 1 1 109 109 ILE HB H 1 1.722 0.05 . 9 . . . . 114 I HB . 15345 1 933 . 1 1 109 109 ILE HD11 H 1 0.767 0.05 . 9 . . . . 114 I HD11 . 15345 1 934 . 1 1 109 109 ILE HD12 H 1 0.767 0.05 . 9 . . . . 114 I HD11 . 15345 1 935 . 1 1 109 109 ILE HD13 H 1 0.767 0.05 . 9 . . . . 114 I HD11 . 15345 1 936 . 1 1 109 109 ILE HG12 H 1 1.298 0.05 . 9 . . . . 114 I HG11 . 15345 1 937 . 1 1 109 109 ILE HG13 H 1 1.713 0.05 . 9 . . . . 114 I HG12 . 15345 1 938 . 1 1 109 109 ILE HG21 H 1 0.708 0.05 . 9 . . . . 114 I HG21 . 15345 1 939 . 1 1 109 109 ILE HG22 H 1 0.708 0.05 . 9 . . . . 114 I HG21 . 15345 1 940 . 1 1 109 109 ILE HG23 H 1 0.708 0.05 . 9 . . . . 114 I HG21 . 15345 1 941 . 1 1 109 109 ILE CA C 13 62.103 0.5 . 9 . . . . 114 I CA . 15345 1 942 . 1 1 109 109 ILE CB C 13 38.191 0.5 . 9 . . . . 114 I CB . 15345 1 943 . 1 1 109 109 ILE CD1 C 13 13.195 0.5 . 9 . . . . 114 I CD1 . 15345 1 944 . 1 1 109 109 ILE CG1 C 13 28.203 0.5 . 9 . . . . 114 I CG1 . 15345 1 945 . 1 1 109 109 ILE CG2 C 13 17.310 0.5 . 9 . . . . 114 I CG2 . 15345 1 946 . 1 1 109 109 ILE N N 15 121.145 0.5 . 9 . . . . 114 I N . 15345 1 947 . 1 1 110 110 GLN H H 1 8.550 0.05 . 9 . . . . 115 Q HN . 15345 1 948 . 1 1 110 110 GLN HA H 1 4.470 0.05 . 9 . . . . 115 Q HA . 15345 1 949 . 1 1 110 110 GLN HB2 H 1 2.026 0.05 . 9 . . . . 115 Q HB1 . 15345 1 950 . 1 1 110 110 GLN HB3 H 1 2.095 0.05 . 9 . . . . 115 Q HB2 . 15345 1 951 . 1 1 110 110 GLN HG2 H 1 2.376 0.05 . 9 . . . . 115 Q HG1 . 15345 1 952 . 1 1 110 110 GLN HG3 H 1 2.428 0.05 . 9 . . . . 115 Q HG2 . 15345 1 953 . 1 1 110 110 GLN CA C 13 55.768 0.5 . 9 . . . . 115 Q CA . 15345 1 954 . 1 1 110 110 GLN CB C 13 28.335 0.5 . 9 . . . . 115 Q CB . 15345 1 955 . 1 1 110 110 GLN CG C 13 34.013 0.5 . 9 . . . . 115 Q CG . 15345 1 956 . 1 1 110 110 GLN N N 15 128.064 0.5 . 9 . . . . 115 Q N . 15345 1 957 . 1 1 111 111 THR H H 1 8.086 0.05 . 9 . . . . 116 T HN . 15345 1 958 . 1 1 111 111 THR HA H 1 4.573 0.05 . 9 . . . . 116 T HA . 15345 1 959 . 1 1 111 111 THR HB H 1 4.110 0.05 . 9 . . . . 116 T HB . 15345 1 960 . 1 1 111 111 THR HG21 H 1 0.795 0.05 . 9 . . . . 116 T HG21 . 15345 1 961 . 1 1 111 111 THR HG22 H 1 0.795 0.05 . 9 . . . . 116 T HG21 . 15345 1 962 . 1 1 111 111 THR HG23 H 1 0.795 0.05 . 9 . . . . 116 T HG21 . 15345 1 963 . 1 1 111 111 THR CA C 13 60.401 0.5 . 9 . . . . 116 T CA . 15345 1 964 . 1 1 111 111 THR CB C 13 71.418 0.5 . 9 . . . . 116 T CB . 15345 1 965 . 1 1 111 111 THR CG2 C 13 22.580 0.5 . 9 . . . . 116 T CG2 . 15345 1 966 . 1 1 111 111 THR N N 15 115.726 0.5 . 9 . . . . 116 T N . 15345 1 967 . 1 1 112 112 GLN H H 1 8.390 0.05 . 9 . . . . 117 Q HN . 15345 1 968 . 1 1 112 112 GLN CA C 13 57.371 0.5 . 9 . . . . 117 Q CA . 15345 1 969 . 1 1 112 112 GLN CB C 13 31.538 0.5 . 9 . . . . 117 Q CB . 15345 1 970 . 1 1 112 112 GLN N N 15 122.495 0.5 . 9 . . . . 117 Q N . 15345 1 stop_ save_