data_16897 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16897 _Entry.Title ; The solution structure of MTH1821 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-04-23 _Entry.Accession_date 2010-04-23 _Entry.Last_release_date 2011-04-08 _Entry.Original_release_date 2011-04-08 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _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 Weontae Lee . . . 16897 2 Sunggeon Ko . . . 16897 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 . 'PSI, Protein Structure Initiative' 'Structural Genomics Consortium' . 16897 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'methanobacterium thermoautotrophicum' . 16897 'structural genomics' . 16897 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16897 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 375 16897 '15N chemical shifts' 92 16897 '1H chemical shifts' 651 16897 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-04-08 2010-04-23 original author . 16897 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KX2 'BMRB Entry Tracking System' 16897 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 16897 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21387412 _Citation.Full_citation . _Citation.Title 'Solution structure of MTH1821, a putative structure homologue to RNA polymerase subunit from Methanobacterium thermoautotrophicum.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full Proteins _Citation.Journal_volume 79 _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 1347 _Citation.Page_last 1351 _Citation.Year 2011 _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 Sunggeon Ko . . . 16897 1 2 Heeyoun Kim . . . 16897 1 3 Jihye Yun . . . 16897 1 4 Adelinda Yee . . . 16897 1 5 Cheryl Arrowsmith . H. . 16897 1 6 Chaejoon Cheong . . . 16897 1 7 Weontae Lee . . . 16897 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16897 _Assembly.ID 1 _Assembly.Name MTH1821 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 MTH1821 1 $MTH1821 A . yes native no no . . . 16897 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MTH1821 _Entity.Sf_category entity _Entity.Sf_framecode MTH1821 _Entity.Entry_ID 16897 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MTH1821 _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 ; MVFYLKVKVEDFGFREDMGL NYVRYRVSGLDEELTEKLIE RLDEDTERDDGDLIITVFYE REYFPFGSEESKVKMADFIA REEIEMMVFLSSVLED ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; 1, M 2, V 3, F 4, Y ; _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 96 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11484.018 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 2KX2 . "The Solution Structure Of Mth1821" . . . . . 100.00 96 100.00 100.00 7.61e-58 . . . . 16897 1 2 no GB AAB86287 . "unknown [Methanothermobacter thermautotrophicus str. Delta H]" . . . . . 100.00 96 100.00 100.00 7.61e-58 . . . . 16897 1 3 no REF WP_048061147 . "hypothetical protein [Methanothermobacter thermautotrophicus]" . . . . . 95.83 92 98.91 100.00 2.19e-54 . . . . 16897 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 . MET . 16897 1 2 . VAL . 16897 1 3 . PHE . 16897 1 4 . TYR . 16897 1 5 . LEU . 16897 1 6 . LYS . 16897 1 7 . VAL . 16897 1 8 . LYS . 16897 1 9 . VAL . 16897 1 10 . GLU . 16897 1 11 . ASP . 16897 1 12 . PHE . 16897 1 13 . GLY . 16897 1 14 . PHE . 16897 1 15 . ARG . 16897 1 16 . GLU . 16897 1 17 . ASP . 16897 1 18 . MET . 16897 1 19 . GLY . 16897 1 20 . LEU . 16897 1 21 . ASN . 16897 1 22 . TYR . 16897 1 23 . VAL . 16897 1 24 . ARG . 16897 1 25 . TYR . 16897 1 26 . ARG . 16897 1 27 . VAL . 16897 1 28 . SER . 16897 1 29 . GLY . 16897 1 30 . LEU . 16897 1 31 . ASP . 16897 1 32 . GLU . 16897 1 33 . GLU . 16897 1 34 . LEU . 16897 1 35 . THR . 16897 1 36 . GLU . 16897 1 37 . LYS . 16897 1 38 . LEU . 16897 1 39 . ILE . 16897 1 40 . GLU . 16897 1 41 . ARG . 16897 1 42 . LEU . 16897 1 43 . ASP . 16897 1 44 . GLU . 16897 1 45 . ASP . 16897 1 46 . THR . 16897 1 47 . GLU . 16897 1 48 . ARG . 16897 1 49 . ASP . 16897 1 50 . ASP . 16897 1 51 . GLY . 16897 1 52 . ASP . 16897 1 53 . LEU . 16897 1 54 . ILE . 16897 1 55 . ILE . 16897 1 56 . THR . 16897 1 57 . VAL . 16897 1 58 . PHE . 16897 1 59 . TYR . 16897 1 60 . GLU . 16897 1 61 . ARG . 16897 1 62 . GLU . 16897 1 63 . TYR . 16897 1 64 . PHE . 16897 1 65 . PRO . 16897 1 66 . PHE . 16897 1 67 . GLY . 16897 1 68 . SER . 16897 1 69 . GLU . 16897 1 70 . GLU . 16897 1 71 . SER . 16897 1 72 . LYS . 16897 1 73 . VAL . 16897 1 74 . LYS . 16897 1 75 . MET . 16897 1 76 . ALA . 16897 1 77 . ASP . 16897 1 78 . PHE . 16897 1 79 . ILE . 16897 1 80 . ALA . 16897 1 81 . ARG . 16897 1 82 . GLU . 16897 1 83 . GLU . 16897 1 84 . ILE . 16897 1 85 . GLU . 16897 1 86 . MET . 16897 1 87 . MET . 16897 1 88 . VAL . 16897 1 89 . PHE . 16897 1 90 . LEU . 16897 1 91 . SER . 16897 1 92 . SER . 16897 1 93 . VAL . 16897 1 94 . LEU . 16897 1 95 . GLU . 16897 1 96 . ASP . 16897 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 16897 1 . VAL 2 2 16897 1 . PHE 3 3 16897 1 . TYR 4 4 16897 1 . LEU 5 5 16897 1 . LYS 6 6 16897 1 . VAL 7 7 16897 1 . LYS 8 8 16897 1 . VAL 9 9 16897 1 . GLU 10 10 16897 1 . ASP 11 11 16897 1 . PHE 12 12 16897 1 . GLY 13 13 16897 1 . PHE 14 14 16897 1 . ARG 15 15 16897 1 . GLU 16 16 16897 1 . ASP 17 17 16897 1 . MET 18 18 16897 1 . GLY 19 19 16897 1 . LEU 20 20 16897 1 . ASN 21 21 16897 1 . TYR 22 22 16897 1 . VAL 23 23 16897 1 . ARG 24 24 16897 1 . TYR 25 25 16897 1 . ARG 26 26 16897 1 . VAL 27 27 16897 1 . SER 28 28 16897 1 . GLY 29 29 16897 1 . LEU 30 30 16897 1 . ASP 31 31 16897 1 . GLU 32 32 16897 1 . GLU 33 33 16897 1 . LEU 34 34 16897 1 . THR 35 35 16897 1 . GLU 36 36 16897 1 . LYS 37 37 16897 1 . LEU 38 38 16897 1 . ILE 39 39 16897 1 . GLU 40 40 16897 1 . ARG 41 41 16897 1 . LEU 42 42 16897 1 . ASP 43 43 16897 1 . GLU 44 44 16897 1 . ASP 45 45 16897 1 . THR 46 46 16897 1 . GLU 47 47 16897 1 . ARG 48 48 16897 1 . ASP 49 49 16897 1 . ASP 50 50 16897 1 . GLY 51 51 16897 1 . ASP 52 52 16897 1 . LEU 53 53 16897 1 . ILE 54 54 16897 1 . ILE 55 55 16897 1 . THR 56 56 16897 1 . VAL 57 57 16897 1 . PHE 58 58 16897 1 . TYR 59 59 16897 1 . GLU 60 60 16897 1 . ARG 61 61 16897 1 . GLU 62 62 16897 1 . TYR 63 63 16897 1 . PHE 64 64 16897 1 . PRO 65 65 16897 1 . PHE 66 66 16897 1 . GLY 67 67 16897 1 . SER 68 68 16897 1 . GLU 69 69 16897 1 . GLU 70 70 16897 1 . SER 71 71 16897 1 . LYS 72 72 16897 1 . VAL 73 73 16897 1 . LYS 74 74 16897 1 . MET 75 75 16897 1 . ALA 76 76 16897 1 . ASP 77 77 16897 1 . PHE 78 78 16897 1 . ILE 79 79 16897 1 . ALA 80 80 16897 1 . ARG 81 81 16897 1 . GLU 82 82 16897 1 . GLU 83 83 16897 1 . ILE 84 84 16897 1 . GLU 85 85 16897 1 . MET 86 86 16897 1 . MET 87 87 16897 1 . VAL 88 88 16897 1 . PHE 89 89 16897 1 . LEU 90 90 16897 1 . SER 91 91 16897 1 . SER 92 92 16897 1 . VAL 93 93 16897 1 . LEU 94 94 16897 1 . GLU 95 95 16897 1 . ASP 96 96 16897 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 16897 _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 $MTH1821 . 145262 organism . 'Methanobacterium thermoautotrophicum' 'Methanobacterium thermoautotrophicum' . . Archaea . Methanobacterium thermoautotrophicum . . . . . . . . . . . . . . . . . . . . . 16897 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 16897 _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 $MTH1821 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET27a . . . . . . 16897 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16897 _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 MTH1821 '[U-99% 15N]' . . 1 $MTH1821 . . 1.2 . . mM . . . . 16897 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16897 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16897 1 4 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 16897 1 5 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 16897 1 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 16897 _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 MTH1821 '[U-100% 13C]' . . 1 $MTH1821 . . 1.2 . . mM . . . . 16897 2 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 16897 2 3 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 16897 2 4 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 16897 2 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16897 _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 MTH1821 '[U-99% 13C; U-99% 15N]' . . 1 $MTH1821 . . 1.2 . . mM . . . . 16897 3 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16897 3 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16897 3 4 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 16897 3 5 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 16897 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 16897 _Sample_condition_list.ID 1 _Sample_condition_list.Details '20mM HEPES, 100mM NaCl, pH 6.5' 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' 100 . mM 16897 1 pH 6.5 . pH 16897 1 pressure 1 . atm 16897 1 temperature 298 . K 16897 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16897 _Software.ID 1 _Software.Name CYANA _Software.Version 2.2.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16897 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16897 1 refinement 16897 1 'structure solution' 16897 1 stop_ save_ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 16897 _Software.ID 2 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16897 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16897 2 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 16897 _Software.ID 3 _Software.Name AutoAssign _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 16897 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16897 3 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 16897 _Software.ID 4 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16897 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16897 4 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16897 _Software.ID 5 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16897 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16897 5 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16897 _Software.ID 6 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16897 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 16897 6 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 16897 _Software.ID 7 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 16897 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16897 7 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 16897 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'equipped with cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16897 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'equipped with cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 16897 _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 DRX . 500 'equipped with cryoprobe' . . 16897 1 2 spectrometer_2 Bruker DRX . 900 'equipped with cryoprobe' . . 16897 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 16897 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16897 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 3 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16897 1 3 '3D HNCO' no . . . . . . . . . . 3 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16897 1 4 '3D HNCA' no . . . . . . . . . . 3 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16897 1 5 '3D HNCACB' no . . . . . . . . . . 3 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16897 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 3 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16897 1 7 '3D H(CCO)NH' no . . . . . . . . . . 3 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16897 1 8 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16897 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16897 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16897 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 16897 _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 protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 16897 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16897 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16897 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 16897 _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 8 '3D HCCH-COSY' . . . 16897 1 9 '3D 1H-15N NOESY' . . . 16897 1 10 '3D 1H-13C NOESY' . . . 16897 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CYANA . . 16897 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET H H 1 8.001 0.020 . 1 . . . . 1 MET H . 16897 1 2 . 1 1 1 1 MET HA H 1 4.294 0.020 . 1 . . . . 1 MET HA . 16897 1 3 . 1 1 1 1 MET HB2 H 1 1.811 0.020 . 2 . . . . 1 MET HB2 . 16897 1 4 . 1 1 1 1 MET C C 13 175.527 0.400 . 1 . . . . 1 MET C . 16897 1 5 . 1 1 1 1 MET CA C 13 55.520 0.400 . 1 . . . . 1 MET CA . 16897 1 6 . 1 1 1 1 MET CB C 13 33.065 0.400 . 1 . . . . 1 MET CB . 16897 1 7 . 1 1 1 1 MET N N 15 122.948 0.400 . 1 . . . . 1 MET N . 16897 1 8 . 1 1 2 2 VAL H H 1 7.892 0.020 . 1 . . . . 2 VAL H . 16897 1 9 . 1 1 2 2 VAL HA H 1 3.873 0.020 . 1 . . . . 2 VAL HA . 16897 1 10 . 1 1 2 2 VAL HB H 1 1.787 0.020 . 1 . . . . 2 VAL HB . 16897 1 11 . 1 1 2 2 VAL HG11 H 1 0.711 0.020 . 2 . . . . 2 VAL HG1 . 16897 1 12 . 1 1 2 2 VAL HG12 H 1 0.711 0.020 . 2 . . . . 2 VAL HG1 . 16897 1 13 . 1 1 2 2 VAL HG13 H 1 0.711 0.020 . 2 . . . . 2 VAL HG1 . 16897 1 14 . 1 1 2 2 VAL HG21 H 1 0.578 0.020 . 2 . . . . 2 VAL HG2 . 16897 1 15 . 1 1 2 2 VAL HG22 H 1 0.578 0.020 . 2 . . . . 2 VAL HG2 . 16897 1 16 . 1 1 2 2 VAL HG23 H 1 0.578 0.020 . 2 . . . . 2 VAL HG2 . 16897 1 17 . 1 1 2 2 VAL C C 13 175.062 0.400 . 1 . . . . 2 VAL C . 16897 1 18 . 1 1 2 2 VAL CA C 13 62.273 0.400 . 1 . . . . 2 VAL CA . 16897 1 19 . 1 1 2 2 VAL CB C 13 32.602 0.400 . 1 . . . . 2 VAL CB . 16897 1 20 . 1 1 2 2 VAL CG1 C 13 20.680 0.400 . 1 . . . . 2 VAL CG1 . 16897 1 21 . 1 1 2 2 VAL CG2 C 13 20.956 0.400 . 1 . . . . 2 VAL CG2 . 16897 1 22 . 1 1 2 2 VAL N N 15 120.452 0.400 . 1 . . . . 2 VAL N . 16897 1 23 . 1 1 3 3 PHE H H 1 7.756 0.020 . 1 . . . . 3 PHE H . 16897 1 24 . 1 1 3 3 PHE HA H 1 4.508 0.020 . 1 . . . . 3 PHE HA . 16897 1 25 . 1 1 3 3 PHE HB2 H 1 2.879 0.020 . 2 . . . . 3 PHE HB2 . 16897 1 26 . 1 1 3 3 PHE HB3 H 1 2.764 0.020 . 2 . . . . 3 PHE HB3 . 16897 1 27 . 1 1 3 3 PHE HD1 H 1 7.053 0.020 . 1 . . . . 3 PHE HD1 . 16897 1 28 . 1 1 3 3 PHE HD2 H 1 7.053 0.020 . 1 . . . . 3 PHE HD2 . 16897 1 29 . 1 1 3 3 PHE C C 13 174.529 0.400 . 1 . . . . 3 PHE C . 16897 1 30 . 1 1 3 3 PHE CA C 13 56.990 0.400 . 1 . . . . 3 PHE CA . 16897 1 31 . 1 1 3 3 PHE CB C 13 40.374 0.400 . 1 . . . . 3 PHE CB . 16897 1 32 . 1 1 3 3 PHE N N 15 121.603 0.400 . 1 . . . . 3 PHE N . 16897 1 33 . 1 1 4 4 TYR H H 1 8.345 0.020 . 1 . . . . 4 TYR H . 16897 1 34 . 1 1 4 4 TYR HA H 1 4.506 0.020 . 1 . . . . 4 TYR HA . 16897 1 35 . 1 1 4 4 TYR HB2 H 1 2.922 0.020 . 2 . . . . 4 TYR HB2 . 16897 1 36 . 1 1 4 4 TYR HB3 H 1 2.840 0.020 . 2 . . . . 4 TYR HB3 . 16897 1 37 . 1 1 4 4 TYR HD1 H 1 7.012 0.020 . 1 . . . . 4 TYR HD1 . 16897 1 38 . 1 1 4 4 TYR C C 13 174.050 0.400 . 1 . . . . 4 TYR C . 16897 1 39 . 1 1 4 4 TYR CA C 13 57.230 0.400 . 1 . . . . 4 TYR CA . 16897 1 40 . 1 1 4 4 TYR CB C 13 38.496 0.400 . 1 . . . . 4 TYR CB . 16897 1 41 . 1 1 4 4 TYR N N 15 120.909 0.400 . 1 . . . . 4 TYR N . 16897 1 42 . 1 1 5 5 LEU H H 1 7.439 0.020 . 1 . . . . 5 LEU H . 16897 1 43 . 1 1 5 5 LEU HA H 1 4.499 0.020 . 1 . . . . 5 LEU HA . 16897 1 44 . 1 1 5 5 LEU HB2 H 1 1.426 0.020 . 2 . . . . 5 LEU HB2 . 16897 1 45 . 1 1 5 5 LEU HB3 H 1 1.373 0.020 . 2 . . . . 5 LEU HB3 . 16897 1 46 . 1 1 5 5 LEU HD11 H 1 0.646 0.020 . 2 . . . . 5 LEU HD1 . 16897 1 47 . 1 1 5 5 LEU HD12 H 1 0.646 0.020 . 2 . . . . 5 LEU HD1 . 16897 1 48 . 1 1 5 5 LEU HD13 H 1 0.646 0.020 . 2 . . . . 5 LEU HD1 . 16897 1 49 . 1 1 5 5 LEU HG H 1 1.439 0.020 . 1 . . . . 5 LEU HG . 16897 1 50 . 1 1 5 5 LEU C C 13 175.980 0.400 . 1 . . . . 5 LEU C . 16897 1 51 . 1 1 5 5 LEU CA C 13 54.703 0.400 . 1 . . . . 5 LEU CA . 16897 1 52 . 1 1 5 5 LEU CB C 13 43.550 0.400 . 1 . . . . 5 LEU CB . 16897 1 53 . 1 1 5 5 LEU CD1 C 13 25.800 0.400 . 1 . . . . 5 LEU CD1 . 16897 1 54 . 1 1 5 5 LEU CG C 13 26.900 0.400 . 1 . . . . 5 LEU CG . 16897 1 55 . 1 1 5 5 LEU N N 15 121.949 0.400 . 1 . . . . 5 LEU N . 16897 1 56 . 1 1 6 6 LYS H H 1 8.266 0.020 . 1 . . . . 6 LYS H . 16897 1 57 . 1 1 6 6 LYS HA H 1 4.537 0.020 . 1 . . . . 6 LYS HA . 16897 1 58 . 1 1 6 6 LYS HB2 H 1 1.686 0.020 . 2 . . . . 6 LYS HB2 . 16897 1 59 . 1 1 6 6 LYS HB3 H 1 1.577 0.020 . 2 . . . . 6 LYS HB3 . 16897 1 60 . 1 1 6 6 LYS HD2 H 1 1.575 0.020 . 2 . . . . 6 LYS HD2 . 16897 1 61 . 1 1 6 6 LYS HD3 H 1 1.575 0.020 . 2 . . . . 6 LYS HD3 . 16897 1 62 . 1 1 6 6 LYS HE2 H 1 2.869 0.020 . 2 . . . . 6 LYS HE2 . 16897 1 63 . 1 1 6 6 LYS HE3 H 1 2.869 0.020 . 2 . . . . 6 LYS HE3 . 16897 1 64 . 1 1 6 6 LYS HG2 H 1 1.308 0.020 . 2 . . . . 6 LYS HG2 . 16897 1 65 . 1 1 6 6 LYS HG3 H 1 1.252 0.020 . 2 . . . . 6 LYS HG3 . 16897 1 66 . 1 1 6 6 LYS C C 13 174.487 0.400 . 1 . . . . 6 LYS C . 16897 1 67 . 1 1 6 6 LYS CA C 13 55.200 0.400 . 1 . . . . 6 LYS CA . 16897 1 68 . 1 1 6 6 LYS CB C 13 34.628 0.400 . 1 . . . . 6 LYS CB . 16897 1 69 . 1 1 6 6 LYS CD C 13 29.119 0.400 . 1 . . . . 6 LYS CD . 16897 1 70 . 1 1 6 6 LYS CG C 13 24.680 0.400 . 1 . . . . 6 LYS CG . 16897 1 71 . 1 1 6 6 LYS N N 15 122.562 0.400 . 1 . . . . 6 LYS N . 16897 1 72 . 1 1 7 7 VAL H H 1 8.222 0.020 . 1 . . . . 7 VAL H . 16897 1 73 . 1 1 7 7 VAL HA H 1 4.837 0.020 . 1 . . . . 7 VAL HA . 16897 1 74 . 1 1 7 7 VAL HB H 1 1.927 0.020 . 1 . . . . 7 VAL HB . 16897 1 75 . 1 1 7 7 VAL HG11 H 1 0.868 0.020 . 2 . . . . 7 VAL HG1 . 16897 1 76 . 1 1 7 7 VAL HG12 H 1 0.868 0.020 . 2 . . . . 7 VAL HG1 . 16897 1 77 . 1 1 7 7 VAL HG13 H 1 0.868 0.020 . 2 . . . . 7 VAL HG1 . 16897 1 78 . 1 1 7 7 VAL HG21 H 1 0.744 0.020 . 2 . . . . 7 VAL HG2 . 16897 1 79 . 1 1 7 7 VAL HG22 H 1 0.744 0.020 . 2 . . . . 7 VAL HG2 . 16897 1 80 . 1 1 7 7 VAL HG23 H 1 0.744 0.020 . 2 . . . . 7 VAL HG2 . 16897 1 81 . 1 1 7 7 VAL C C 13 173.894 0.400 . 1 . . . . 7 VAL C . 16897 1 82 . 1 1 7 7 VAL CA C 13 60.890 0.400 . 1 . . . . 7 VAL CA . 16897 1 83 . 1 1 7 7 VAL CB C 13 34.354 0.400 . 1 . . . . 7 VAL CB . 16897 1 84 . 1 1 7 7 VAL CG1 C 13 22.856 0.400 . 1 . . . . 7 VAL CG1 . 16897 1 85 . 1 1 7 7 VAL CG2 C 13 22.424 0.400 . 1 . . . . 7 VAL CG2 . 16897 1 86 . 1 1 7 7 VAL N N 15 123.398 0.400 . 1 . . . . 7 VAL N . 16897 1 87 . 1 1 8 8 LYS H H 1 8.720 0.020 . 1 . . . . 8 LYS H . 16897 1 88 . 1 1 8 8 LYS HA H 1 5.013 0.020 . 1 . . . . 8 LYS HA . 16897 1 89 . 1 1 8 8 LYS HB2 H 1 1.736 0.020 . 2 . . . . 8 LYS HB2 . 16897 1 90 . 1 1 8 8 LYS HB3 H 1 1.631 0.020 . 2 . . . . 8 LYS HB3 . 16897 1 91 . 1 1 8 8 LYS HD2 H 1 1.719 0.020 . 2 . . . . 8 LYS HD2 . 16897 1 92 . 1 1 8 8 LYS HD3 H 1 1.658 0.020 . 2 . . . . 8 LYS HD3 . 16897 1 93 . 1 1 8 8 LYS HE2 H 1 2.985 0.020 . 2 . . . . 8 LYS HE2 . 16897 1 94 . 1 1 8 8 LYS HE3 H 1 2.942 0.020 . 2 . . . . 8 LYS HE3 . 16897 1 95 . 1 1 8 8 LYS HG2 H 1 1.391 0.020 . 2 . . . . 8 LYS HG2 . 16897 1 96 . 1 1 8 8 LYS HG3 H 1 1.331 0.020 . 2 . . . . 8 LYS HG3 . 16897 1 97 . 1 1 8 8 LYS C C 13 176.759 0.400 . 1 . . . . 8 LYS C . 16897 1 98 . 1 1 8 8 LYS CA C 13 52.929 0.400 . 1 . . . . 8 LYS CA . 16897 1 99 . 1 1 8 8 LYS CB C 13 36.639 0.400 . 1 . . . . 8 LYS CB . 16897 1 100 . 1 1 8 8 LYS CD C 13 28.730 0.400 . 1 . . . . 8 LYS CD . 16897 1 101 . 1 1 8 8 LYS CG C 13 23.852 0.400 . 1 . . . . 8 LYS CG . 16897 1 102 . 1 1 8 8 LYS N N 15 125.912 0.400 . 1 . . . . 8 LYS N . 16897 1 103 . 1 1 9 9 VAL H H 1 10.238 0.020 . 1 . . . . 9 VAL H . 16897 1 104 . 1 1 9 9 VAL HA H 1 3.841 0.020 . 1 . . . . 9 VAL HA . 16897 1 105 . 1 1 9 9 VAL HB H 1 2.021 0.020 . 1 . . . . 9 VAL HB . 16897 1 106 . 1 1 9 9 VAL HG11 H 1 0.978 0.020 . 2 . . . . 9 VAL HG1 . 16897 1 107 . 1 1 9 9 VAL HG12 H 1 0.978 0.020 . 2 . . . . 9 VAL HG1 . 16897 1 108 . 1 1 9 9 VAL HG13 H 1 0.978 0.020 . 2 . . . . 9 VAL HG1 . 16897 1 109 . 1 1 9 9 VAL HG21 H 1 0.786 0.020 . 2 . . . . 9 VAL HG2 . 16897 1 110 . 1 1 9 9 VAL HG22 H 1 0.786 0.020 . 2 . . . . 9 VAL HG2 . 16897 1 111 . 1 1 9 9 VAL HG23 H 1 0.786 0.020 . 2 . . . . 9 VAL HG2 . 16897 1 112 . 1 1 9 9 VAL C C 13 175.073 0.400 . 1 . . . . 9 VAL C . 16897 1 113 . 1 1 9 9 VAL CA C 13 64.549 0.400 . 1 . . . . 9 VAL CA . 16897 1 114 . 1 1 9 9 VAL CB C 13 31.564 0.400 . 1 . . . . 9 VAL CB . 16897 1 115 . 1 1 9 9 VAL CG1 C 13 23.814 0.400 . 1 . . . . 9 VAL CG1 . 16897 1 116 . 1 1 9 9 VAL CG2 C 13 21.089 0.400 . 1 . . . . 9 VAL CG2 . 16897 1 117 . 1 1 9 9 VAL N N 15 127.128 0.400 . 1 . . . . 9 VAL N . 16897 1 118 . 1 1 10 10 GLU H H 1 9.280 0.020 . 1 . . . . 10 GLU H . 16897 1 119 . 1 1 10 10 GLU HA H 1 4.393 0.020 . 1 . . . . 10 GLU HA . 16897 1 120 . 1 1 10 10 GLU HB2 H 1 1.801 0.020 . 2 . . . . 10 GLU HB2 . 16897 1 121 . 1 1 10 10 GLU HB3 H 1 1.728 0.020 . 2 . . . . 10 GLU HB3 . 16897 1 122 . 1 1 10 10 GLU HG2 H 1 2.055 0.020 . 2 . . . . 10 GLU HG2 . 16897 1 123 . 1 1 10 10 GLU HG3 H 1 2.055 0.020 . 2 . . . . 10 GLU HG3 . 16897 1 124 . 1 1 10 10 GLU C C 13 175.455 0.400 . 1 . . . . 10 GLU C . 16897 1 125 . 1 1 10 10 GLU CA C 13 57.235 0.400 . 1 . . . . 10 GLU CA . 16897 1 126 . 1 1 10 10 GLU CB C 13 31.497 0.400 . 1 . . . . 10 GLU CB . 16897 1 127 . 1 1 10 10 GLU CG C 13 35.122 0.400 . 1 . . . . 10 GLU CG . 16897 1 128 . 1 1 10 10 GLU N N 15 131.502 0.400 . 1 . . . . 10 GLU N . 16897 1 129 . 1 1 11 11 ASP H H 1 7.734 0.020 . 1 . . . . 11 ASP H . 16897 1 130 . 1 1 11 11 ASP HA H 1 4.411 0.020 . 1 . . . . 11 ASP HA . 16897 1 131 . 1 1 11 11 ASP HB2 H 1 2.771 0.020 . 2 . . . . 11 ASP HB2 . 16897 1 132 . 1 1 11 11 ASP HB3 H 1 2.702 0.020 . 2 . . . . 11 ASP HB3 . 16897 1 133 . 1 1 11 11 ASP C C 13 172.678 0.400 . 1 . . . . 11 ASP C . 16897 1 134 . 1 1 11 11 ASP CA C 13 53.202 0.400 . 1 . . . . 11 ASP CA . 16897 1 135 . 1 1 11 11 ASP CB C 13 42.957 0.400 . 1 . . . . 11 ASP CB . 16897 1 136 . 1 1 11 11 ASP N N 15 113.782 0.400 . 1 . . . . 11 ASP N . 16897 1 137 . 1 1 12 12 PHE H H 1 7.437 0.020 . 1 . . . . 12 PHE H . 16897 1 138 . 1 1 12 12 PHE HA H 1 4.581 0.020 . 1 . . . . 12 PHE HA . 16897 1 139 . 1 1 12 12 PHE HB2 H 1 3.258 0.020 . 2 . . . . 12 PHE HB2 . 16897 1 140 . 1 1 12 12 PHE HB3 H 1 3.229 0.020 . 2 . . . . 12 PHE HB3 . 16897 1 141 . 1 1 12 12 PHE HD1 H 1 6.676 0.020 . 1 . . . . 12 PHE HD1 . 16897 1 142 . 1 1 12 12 PHE HD2 H 1 6.676 0.020 . 1 . . . . 12 PHE HD2 . 16897 1 143 . 1 1 12 12 PHE C C 13 173.452 0.400 . 1 . . . . 12 PHE C . 16897 1 144 . 1 1 12 12 PHE CA C 13 55.666 0.400 . 1 . . . . 12 PHE CA . 16897 1 145 . 1 1 12 12 PHE CB C 13 41.522 0.400 . 1 . . . . 12 PHE CB . 16897 1 146 . 1 1 12 12 PHE N N 15 113.101 0.400 . 1 . . . . 12 PHE N . 16897 1 147 . 1 1 13 13 GLY H H 1 7.382 0.020 . 1 . . . . 13 GLY H . 16897 1 148 . 1 1 13 13 GLY HA2 H 1 3.989 0.020 . 2 . . . . 13 GLY HA2 . 16897 1 149 . 1 1 13 13 GLY HA3 H 1 3.953 0.020 . 2 . . . . 13 GLY HA3 . 16897 1 150 . 1 1 13 13 GLY C C 13 171.130 0.400 . 1 . . . . 13 GLY C . 16897 1 151 . 1 1 13 13 GLY CA C 13 46.240 0.400 . 1 . . . . 13 GLY CA . 16897 1 152 . 1 1 13 13 GLY N N 15 104.650 0.400 . 1 . . . . 13 GLY N . 16897 1 153 . 1 1 14 14 PHE H H 1 9.064 0.020 . 1 . . . . 14 PHE H . 16897 1 154 . 1 1 14 14 PHE HA H 1 4.947 0.020 . 1 . . . . 14 PHE HA . 16897 1 155 . 1 1 14 14 PHE HB2 H 1 2.939 0.020 . 2 . . . . 14 PHE HB2 . 16897 1 156 . 1 1 14 14 PHE HB3 H 1 2.889 0.020 . 2 . . . . 14 PHE HB3 . 16897 1 157 . 1 1 14 14 PHE HD1 H 1 7.002 0.020 . 1 . . . . 14 PHE HD1 . 16897 1 158 . 1 1 14 14 PHE HD2 H 1 7.002 0.020 . 1 . . . . 14 PHE HD2 . 16897 1 159 . 1 1 14 14 PHE C C 13 174.196 0.400 . 1 . . . . 14 PHE C . 16897 1 160 . 1 1 14 14 PHE CA C 13 57.338 0.400 . 1 . . . . 14 PHE CA . 16897 1 161 . 1 1 14 14 PHE CB C 13 42.378 0.400 . 1 . . . . 14 PHE CB . 16897 1 162 . 1 1 14 14 PHE N N 15 125.131 0.400 . 1 . . . . 14 PHE N . 16897 1 163 . 1 1 15 15 ARG H H 1 8.211 0.020 . 1 . . . . 15 ARG H . 16897 1 164 . 1 1 15 15 ARG HA H 1 4.592 0.020 . 1 . . . . 15 ARG HA . 16897 1 165 . 1 1 15 15 ARG HB2 H 1 1.881 0.020 . 2 . . . . 15 ARG HB2 . 16897 1 166 . 1 1 15 15 ARG HB3 H 1 1.683 0.020 . 2 . . . . 15 ARG HB3 . 16897 1 167 . 1 1 15 15 ARG HD2 H 1 3.030 0.020 . 2 . . . . 15 ARG HD2 . 16897 1 168 . 1 1 15 15 ARG HD3 H 1 3.007 0.020 . 2 . . . . 15 ARG HD3 . 16897 1 169 . 1 1 15 15 ARG HG2 H 1 1.532 0.020 . 2 . . . . 15 ARG HG2 . 16897 1 170 . 1 1 15 15 ARG HG3 H 1 1.511 0.020 . 2 . . . . 15 ARG HG3 . 16897 1 171 . 1 1 15 15 ARG CA C 13 53.142 0.400 . 1 . . . . 15 ARG CA . 16897 1 172 . 1 1 15 15 ARG CB C 13 30.030 0.400 . 1 . . . . 15 ARG CB . 16897 1 173 . 1 1 15 15 ARG CG C 13 27.000 0.400 . 1 . . . . 15 ARG CG . 16897 1 174 . 1 1 15 15 ARG N N 15 127.830 0.400 . 1 . . . . 15 ARG N . 16897 1 175 . 1 1 16 16 GLU HA H 1 3.705 0.020 . 1 . . . . 16 GLU HA . 16897 1 176 . 1 1 16 16 GLU HB2 H 1 2.047 0.020 . 2 . . . . 16 GLU HB2 . 16897 1 177 . 1 1 16 16 GLU HB3 H 1 2.047 0.020 . 2 . . . . 16 GLU HB3 . 16897 1 178 . 1 1 16 16 GLU HG2 H 1 2.367 0.020 . 2 . . . . 16 GLU HG2 . 16897 1 179 . 1 1 16 16 GLU HG3 H 1 2.367 0.020 . 2 . . . . 16 GLU HG3 . 16897 1 180 . 1 1 16 16 GLU C C 13 177.359 0.400 . 1 . . . . 16 GLU C . 16897 1 181 . 1 1 16 16 GLU CA C 13 59.217 0.400 . 1 . . . . 16 GLU CA . 16897 1 182 . 1 1 16 16 GLU CB C 13 29.479 0.400 . 1 . . . . 16 GLU CB . 16897 1 183 . 1 1 16 16 GLU CG C 13 36.100 0.400 . 1 . . . . 16 GLU CG . 16897 1 184 . 1 1 17 17 ASP H H 1 8.879 0.020 . 1 . . . . 17 ASP H . 16897 1 185 . 1 1 17 17 ASP HA H 1 4.168 0.020 . 1 . . . . 17 ASP HA . 16897 1 186 . 1 1 17 17 ASP HB2 H 1 2.663 0.020 . 2 . . . . 17 ASP HB2 . 16897 1 187 . 1 1 17 17 ASP HB3 H 1 2.538 0.020 . 2 . . . . 17 ASP HB3 . 16897 1 188 . 1 1 17 17 ASP C C 13 176.814 0.400 . 1 . . . . 17 ASP C . 16897 1 189 . 1 1 17 17 ASP CA C 13 55.552 0.400 . 1 . . . . 17 ASP CA . 16897 1 190 . 1 1 17 17 ASP CB C 13 38.422 0.400 . 1 . . . . 17 ASP CB . 16897 1 191 . 1 1 17 17 ASP N N 15 116.117 0.400 . 1 . . . . 17 ASP N . 16897 1 192 . 1 1 18 18 MET H H 1 6.982 0.020 . 1 . . . . 18 MET H . 16897 1 193 . 1 1 18 18 MET HA H 1 4.311 0.020 . 1 . . . . 18 MET HA . 16897 1 194 . 1 1 18 18 MET HB2 H 1 1.722 0.020 . 2 . . . . 18 MET HB2 . 16897 1 195 . 1 1 18 18 MET HB3 H 1 1.343 0.020 . 2 . . . . 18 MET HB3 . 16897 1 196 . 1 1 18 18 MET HE1 H 1 1.344 0.020 . 1 . . . . 18 MET HE . 16897 1 197 . 1 1 18 18 MET HE2 H 1 1.344 0.020 . 1 . . . . 18 MET HE . 16897 1 198 . 1 1 18 18 MET HE3 H 1 1.344 0.020 . 1 . . . . 18 MET HE . 16897 1 199 . 1 1 18 18 MET HG2 H 1 2.112 0.020 . 2 . . . . 18 MET HG2 . 16897 1 200 . 1 1 18 18 MET HG3 H 1 2.086 0.020 . 2 . . . . 18 MET HG3 . 16897 1 201 . 1 1 18 18 MET C C 13 176.277 0.400 . 1 . . . . 18 MET C . 16897 1 202 . 1 1 18 18 MET CA C 13 54.857 0.400 . 1 . . . . 18 MET CA . 16897 1 203 . 1 1 18 18 MET CB C 13 34.968 0.400 . 1 . . . . 18 MET CB . 16897 1 204 . 1 1 18 18 MET CE C 13 16.091 0.400 . 1 . . . . 18 MET CE . 16897 1 205 . 1 1 18 18 MET CG C 13 31.480 0.400 . 1 . . . . 18 MET CG . 16897 1 206 . 1 1 18 18 MET N N 15 115.966 0.400 . 1 . . . . 18 MET N . 16897 1 207 . 1 1 19 19 GLY H H 1 7.933 0.020 . 1 . . . . 19 GLY H . 16897 1 208 . 1 1 19 19 GLY HA2 H 1 3.952 0.020 . 2 . . . . 19 GLY HA2 . 16897 1 209 . 1 1 19 19 GLY HA3 H 1 3.669 0.020 . 2 . . . . 19 GLY HA3 . 16897 1 210 . 1 1 19 19 GLY C C 13 173.556 0.400 . 1 . . . . 19 GLY C . 16897 1 211 . 1 1 19 19 GLY CA C 13 46.452 0.400 . 1 . . . . 19 GLY CA . 16897 1 212 . 1 1 19 19 GLY N N 15 108.147 0.400 . 1 . . . . 19 GLY N . 16897 1 213 . 1 1 20 20 LEU H H 1 6.400 0.020 . 1 . . . . 20 LEU H . 16897 1 214 . 1 1 20 20 LEU HA H 1 4.817 0.020 . 1 . . . . 20 LEU HA . 16897 1 215 . 1 1 20 20 LEU HB2 H 1 1.877 0.020 . 2 . . . . 20 LEU HB2 . 16897 1 216 . 1 1 20 20 LEU HB3 H 1 1.203 0.020 . 2 . . . . 20 LEU HB3 . 16897 1 217 . 1 1 20 20 LEU HD11 H 1 0.615 0.020 . 2 . . . . 20 LEU HD1 . 16897 1 218 . 1 1 20 20 LEU HD12 H 1 0.615 0.020 . 2 . . . . 20 LEU HD1 . 16897 1 219 . 1 1 20 20 LEU HD13 H 1 0.615 0.020 . 2 . . . . 20 LEU HD1 . 16897 1 220 . 1 1 20 20 LEU HD21 H 1 0.880 0.020 . 2 . . . . 20 LEU HD2 . 16897 1 221 . 1 1 20 20 LEU HD22 H 1 0.880 0.020 . 2 . . . . 20 LEU HD2 . 16897 1 222 . 1 1 20 20 LEU HD23 H 1 0.880 0.020 . 2 . . . . 20 LEU HD2 . 16897 1 223 . 1 1 20 20 LEU HG H 1 1.310 0.020 . 1 . . . . 20 LEU HG . 16897 1 224 . 1 1 20 20 LEU C C 13 176.002 0.400 . 1 . . . . 20 LEU C . 16897 1 225 . 1 1 20 20 LEU CA C 13 53.193 0.400 . 1 . . . . 20 LEU CA . 16897 1 226 . 1 1 20 20 LEU CB C 13 47.625 0.400 . 1 . . . . 20 LEU CB . 16897 1 227 . 1 1 20 20 LEU CD1 C 13 25.830 0.400 . 1 . . . . 20 LEU CD1 . 16897 1 228 . 1 1 20 20 LEU CD2 C 13 23.072 0.400 . 1 . . . . 20 LEU CD2 . 16897 1 229 . 1 1 20 20 LEU CG C 13 26.960 0.400 . 1 . . . . 20 LEU CG . 16897 1 230 . 1 1 20 20 LEU N N 15 115.708 0.400 . 1 . . . . 20 LEU N . 16897 1 231 . 1 1 21 21 ASN H H 1 8.434 0.020 . 1 . . . . 21 ASN H . 16897 1 232 . 1 1 21 21 ASN HA H 1 5.399 0.020 . 1 . . . . 21 ASN HA . 16897 1 233 . 1 1 21 21 ASN HB2 H 1 1.946 0.020 . 2 . . . . 21 ASN HB2 . 16897 1 234 . 1 1 21 21 ASN HB3 H 1 1.632 0.020 . 2 . . . . 21 ASN HB3 . 16897 1 235 . 1 1 21 21 ASN C C 13 174.024 0.400 . 1 . . . . 21 ASN C . 16897 1 236 . 1 1 21 21 ASN CA C 13 54.009 0.400 . 1 . . . . 21 ASN CA . 16897 1 237 . 1 1 21 21 ASN CB C 13 41.826 0.400 . 1 . . . . 21 ASN CB . 16897 1 238 . 1 1 21 21 ASN N N 15 118.203 0.400 . 1 . . . . 21 ASN N . 16897 1 239 . 1 1 22 22 TYR H H 1 8.587 0.020 . 1 . . . . 22 TYR H . 16897 1 240 . 1 1 22 22 TYR HA H 1 6.011 0.020 . 1 . . . . 22 TYR HA . 16897 1 241 . 1 1 22 22 TYR HB2 H 1 2.550 0.020 . 2 . . . . 22 TYR HB2 . 16897 1 242 . 1 1 22 22 TYR HB3 H 1 2.335 0.020 . 2 . . . . 22 TYR HB3 . 16897 1 243 . 1 1 22 22 TYR HD1 H 1 6.545 0.020 . 1 . . . . 22 TYR HD1 . 16897 1 244 . 1 1 22 22 TYR HD2 H 1 7.016 0.020 . 1 . . . . 22 TYR HD2 . 16897 1 245 . 1 1 22 22 TYR C C 13 173.331 0.400 . 1 . . . . 22 TYR C . 16897 1 246 . 1 1 22 22 TYR CA C 13 56.320 0.400 . 1 . . . . 22 TYR CA . 16897 1 247 . 1 1 22 22 TYR CB C 13 43.040 0.400 . 1 . . . . 22 TYR CB . 16897 1 248 . 1 1 22 22 TYR N N 15 115.928 0.400 . 1 . . . . 22 TYR N . 16897 1 249 . 1 1 23 23 VAL H H 1 9.071 0.020 . 1 . . . . 23 VAL H . 16897 1 250 . 1 1 23 23 VAL HA H 1 4.325 0.020 . 1 . . . . 23 VAL HA . 16897 1 251 . 1 1 23 23 VAL HB H 1 2.062 0.020 . 1 . . . . 23 VAL HB . 16897 1 252 . 1 1 23 23 VAL HG11 H 1 1.037 0.020 . 2 . . . . 23 VAL HG1 . 16897 1 253 . 1 1 23 23 VAL HG12 H 1 1.037 0.020 . 2 . . . . 23 VAL HG1 . 16897 1 254 . 1 1 23 23 VAL HG13 H 1 1.037 0.020 . 2 . . . . 23 VAL HG1 . 16897 1 255 . 1 1 23 23 VAL HG21 H 1 0.528 0.020 . 2 . . . . 23 VAL HG2 . 16897 1 256 . 1 1 23 23 VAL HG22 H 1 0.528 0.020 . 2 . . . . 23 VAL HG2 . 16897 1 257 . 1 1 23 23 VAL HG23 H 1 0.528 0.020 . 2 . . . . 23 VAL HG2 . 16897 1 258 . 1 1 23 23 VAL C C 13 173.924 0.400 . 1 . . . . 23 VAL C . 16897 1 259 . 1 1 23 23 VAL CA C 13 62.328 0.400 . 1 . . . . 23 VAL CA . 16897 1 260 . 1 1 23 23 VAL CB C 13 35.781 0.400 . 1 . . . . 23 VAL CB . 16897 1 261 . 1 1 23 23 VAL CG1 C 13 23.500 0.400 . 1 . . . . 23 VAL CG1 . 16897 1 262 . 1 1 23 23 VAL CG2 C 13 22.368 0.400 . 1 . . . . 23 VAL CG2 . 16897 1 263 . 1 1 23 23 VAL N N 15 119.095 0.400 . 1 . . . . 23 VAL N . 16897 1 264 . 1 1 24 24 ARG H H 1 8.873 0.020 . 1 . . . . 24 ARG H . 16897 1 265 . 1 1 24 24 ARG HA H 1 5.439 0.020 . 1 . . . . 24 ARG HA . 16897 1 266 . 1 1 24 24 ARG HB2 H 1 1.804 0.020 . 2 . . . . 24 ARG HB2 . 16897 1 267 . 1 1 24 24 ARG HB3 H 1 1.459 0.020 . 2 . . . . 24 ARG HB3 . 16897 1 268 . 1 1 24 24 ARG HD2 H 1 3.039 0.020 . 2 . . . . 24 ARG HD2 . 16897 1 269 . 1 1 24 24 ARG HD3 H 1 2.982 0.020 . 2 . . . . 24 ARG HD3 . 16897 1 270 . 1 1 24 24 ARG HG2 H 1 1.658 0.020 . 2 . . . . 24 ARG HG2 . 16897 1 271 . 1 1 24 24 ARG HG3 H 1 1.572 0.020 . 2 . . . . 24 ARG HG3 . 16897 1 272 . 1 1 24 24 ARG C C 13 174.950 0.400 . 1 . . . . 24 ARG C . 16897 1 273 . 1 1 24 24 ARG CA C 13 54.829 0.400 . 1 . . . . 24 ARG CA . 16897 1 274 . 1 1 24 24 ARG CB C 13 32.929 0.400 . 1 . . . . 24 ARG CB . 16897 1 275 . 1 1 24 24 ARG CG C 13 27.850 0.400 . 1 . . . . 24 ARG CG . 16897 1 276 . 1 1 24 24 ARG N N 15 125.083 0.400 . 1 . . . . 24 ARG N . 16897 1 277 . 1 1 25 25 TYR H H 1 9.684 0.020 . 1 . . . . 25 TYR H . 16897 1 278 . 1 1 25 25 TYR HA H 1 5.060 0.020 . 1 . . . . 25 TYR HA . 16897 1 279 . 1 1 25 25 TYR HB2 H 1 2.790 0.020 . 2 . . . . 25 TYR HB2 . 16897 1 280 . 1 1 25 25 TYR HB3 H 1 2.616 0.020 . 2 . . . . 25 TYR HB3 . 16897 1 281 . 1 1 25 25 TYR HD1 H 1 6.829 0.020 . 1 . . . . 25 TYR HD1 . 16897 1 282 . 1 1 25 25 TYR HD2 H 1 6.829 0.020 . 1 . . . . 25 TYR HD2 . 16897 1 283 . 1 1 25 25 TYR C C 13 174.129 0.400 . 1 . . . . 25 TYR C . 16897 1 284 . 1 1 25 25 TYR CA C 13 56.857 0.400 . 1 . . . . 25 TYR CA . 16897 1 285 . 1 1 25 25 TYR CB C 13 41.060 0.400 . 1 . . . . 25 TYR CB . 16897 1 286 . 1 1 25 25 TYR N N 15 123.603 0.400 . 1 . . . . 25 TYR N . 16897 1 287 . 1 1 26 26 ARG H H 1 9.703 0.020 . 1 . . . . 26 ARG H . 16897 1 288 . 1 1 26 26 ARG HA H 1 4.891 0.020 . 1 . . . . 26 ARG HA . 16897 1 289 . 1 1 26 26 ARG HB2 H 1 1.732 0.020 . 2 . . . . 26 ARG HB2 . 16897 1 290 . 1 1 26 26 ARG HB3 H 1 1.711 0.020 . 2 . . . . 26 ARG HB3 . 16897 1 291 . 1 1 26 26 ARG HD2 H 1 2.797 0.020 . 2 . . . . 26 ARG HD2 . 16897 1 292 . 1 1 26 26 ARG HD3 H 1 2.797 0.020 . 2 . . . . 26 ARG HD3 . 16897 1 293 . 1 1 26 26 ARG HG2 H 1 1.159 0.020 . 2 . . . . 26 ARG HG2 . 16897 1 294 . 1 1 26 26 ARG HG3 H 1 1.159 0.020 . 2 . . . . 26 ARG HG3 . 16897 1 295 . 1 1 26 26 ARG C C 13 175.270 0.400 . 1 . . . . 26 ARG C . 16897 1 296 . 1 1 26 26 ARG CA C 13 55.483 0.400 . 1 . . . . 26 ARG CA . 16897 1 297 . 1 1 26 26 ARG CB C 13 32.990 0.400 . 1 . . . . 26 ARG CB . 16897 1 298 . 1 1 26 26 ARG CG C 13 28.815 0.400 . 1 . . . . 26 ARG CG . 16897 1 299 . 1 1 26 26 ARG N N 15 123.825 0.400 . 1 . . . . 26 ARG N . 16897 1 300 . 1 1 27 27 VAL H H 1 9.826 0.020 . 1 . . . . 27 VAL H . 16897 1 301 . 1 1 27 27 VAL HA H 1 4.956 0.020 . 1 . . . . 27 VAL HA . 16897 1 302 . 1 1 27 27 VAL HB H 1 2.174 0.020 . 1 . . . . 27 VAL HB . 16897 1 303 . 1 1 27 27 VAL HG11 H 1 0.811 0.020 . 2 . . . . 27 VAL HG1 . 16897 1 304 . 1 1 27 27 VAL HG12 H 1 0.811 0.020 . 2 . . . . 27 VAL HG1 . 16897 1 305 . 1 1 27 27 VAL HG13 H 1 0.811 0.020 . 2 . . . . 27 VAL HG1 . 16897 1 306 . 1 1 27 27 VAL C C 13 175.416 0.400 . 1 . . . . 27 VAL C . 16897 1 307 . 1 1 27 27 VAL CA C 13 61.271 0.400 . 1 . . . . 27 VAL CA . 16897 1 308 . 1 1 27 27 VAL CB C 13 32.793 0.400 . 1 . . . . 27 VAL CB . 16897 1 309 . 1 1 27 27 VAL CG1 C 13 21.403 0.400 . 1 . . . . 27 VAL CG1 . 16897 1 310 . 1 1 27 27 VAL N N 15 131.205 0.400 . 1 . . . . 27 VAL N . 16897 1 311 . 1 1 28 28 SER H H 1 9.196 0.020 . 1 . . . . 28 SER H . 16897 1 312 . 1 1 28 28 SER HA H 1 5.173 0.020 . 1 . . . . 28 SER HA . 16897 1 313 . 1 1 28 28 SER HB2 H 1 3.740 0.020 . 2 . . . . 28 SER HB2 . 16897 1 314 . 1 1 28 28 SER HB3 H 1 3.653 0.020 . 2 . . . . 28 SER HB3 . 16897 1 315 . 1 1 28 28 SER C C 13 173.562 0.400 . 1 . . . . 28 SER C . 16897 1 316 . 1 1 28 28 SER CA C 13 56.959 0.400 . 1 . . . . 28 SER CA . 16897 1 317 . 1 1 28 28 SER CB C 13 66.260 0.400 . 1 . . . . 28 SER CB . 16897 1 318 . 1 1 28 28 SER N N 15 123.118 0.400 . 1 . . . . 28 SER N . 16897 1 319 . 1 1 29 29 GLY H H 1 8.517 0.020 . 1 . . . . 29 GLY H . 16897 1 320 . 1 1 29 29 GLY HA2 H 1 4.505 0.020 . 2 . . . . 29 GLY HA2 . 16897 1 321 . 1 1 29 29 GLY HA3 H 1 3.619 0.020 . 2 . . . . 29 GLY HA3 . 16897 1 322 . 1 1 29 29 GLY C C 13 174.974 0.400 . 1 . . . . 29 GLY C . 16897 1 323 . 1 1 29 29 GLY CA C 13 45.114 0.400 . 1 . . . . 29 GLY CA . 16897 1 324 . 1 1 29 29 GLY N N 15 107.831 0.400 . 1 . . . . 29 GLY N . 16897 1 325 . 1 1 30 30 LEU H H 1 8.082 0.020 . 1 . . . . 30 LEU H . 16897 1 326 . 1 1 30 30 LEU HA H 1 4.320 0.020 . 1 . . . . 30 LEU HA . 16897 1 327 . 1 1 30 30 LEU HB2 H 1 1.834 0.020 . 2 . . . . 30 LEU HB2 . 16897 1 328 . 1 1 30 30 LEU HB3 H 1 1.376 0.020 . 2 . . . . 30 LEU HB3 . 16897 1 329 . 1 1 30 30 LEU HD11 H 1 0.680 0.020 . 2 . . . . 30 LEU HD1 . 16897 1 330 . 1 1 30 30 LEU HD12 H 1 0.680 0.020 . 2 . . . . 30 LEU HD1 . 16897 1 331 . 1 1 30 30 LEU HD13 H 1 0.680 0.020 . 2 . . . . 30 LEU HD1 . 16897 1 332 . 1 1 30 30 LEU HD21 H 1 0.633 0.020 . 2 . . . . 30 LEU HD2 . 16897 1 333 . 1 1 30 30 LEU HD22 H 1 0.633 0.020 . 2 . . . . 30 LEU HD2 . 16897 1 334 . 1 1 30 30 LEU HD23 H 1 0.633 0.020 . 2 . . . . 30 LEU HD2 . 16897 1 335 . 1 1 30 30 LEU HG H 1 1.425 0.020 . 1 . . . . 30 LEU HG . 16897 1 336 . 1 1 30 30 LEU C C 13 176.912 0.400 . 1 . . . . 30 LEU C . 16897 1 337 . 1 1 30 30 LEU CA C 13 54.259 0.400 . 1 . . . . 30 LEU CA . 16897 1 338 . 1 1 30 30 LEU CB C 13 43.041 0.400 . 1 . . . . 30 LEU CB . 16897 1 339 . 1 1 30 30 LEU CD1 C 13 26.770 0.400 . 1 . . . . 30 LEU CD1 . 16897 1 340 . 1 1 30 30 LEU CD2 C 13 23.880 0.400 . 1 . . . . 30 LEU CD2 . 16897 1 341 . 1 1 30 30 LEU CG C 13 27.000 0.400 . 1 . . . . 30 LEU CG . 16897 1 342 . 1 1 30 30 LEU N N 15 119.256 0.400 . 1 . . . . 30 LEU N . 16897 1 343 . 1 1 31 31 ASP H H 1 7.250 0.020 . 1 . . . . 31 ASP H . 16897 1 344 . 1 1 31 31 ASP HA H 1 4.667 0.020 . 1 . . . . 31 ASP HA . 16897 1 345 . 1 1 31 31 ASP HB2 H 1 3.088 0.020 . 2 . . . . 31 ASP HB2 . 16897 1 346 . 1 1 31 31 ASP HB3 H 1 2.719 0.020 . 2 . . . . 31 ASP HB3 . 16897 1 347 . 1 1 31 31 ASP C C 13 177.528 0.400 . 1 . . . . 31 ASP C . 16897 1 348 . 1 1 31 31 ASP CA C 13 52.560 0.400 . 1 . . . . 31 ASP CA . 16897 1 349 . 1 1 31 31 ASP CB C 13 41.547 0.400 . 1 . . . . 31 ASP CB . 16897 1 350 . 1 1 31 31 ASP N N 15 120.375 0.400 . 1 . . . . 31 ASP N . 16897 1 351 . 1 1 32 32 GLU H H 1 8.789 0.020 . 1 . . . . 32 GLU H . 16897 1 352 . 1 1 32 32 GLU HA H 1 3.915 0.020 . 1 . . . . 32 GLU HA . 16897 1 353 . 1 1 32 32 GLU HB2 H 1 2.023 0.020 . 2 . . . . 32 GLU HB2 . 16897 1 354 . 1 1 32 32 GLU HB3 H 1 1.990 0.020 . 2 . . . . 32 GLU HB3 . 16897 1 355 . 1 1 32 32 GLU HG2 H 1 2.296 0.020 . 2 . . . . 32 GLU HG2 . 16897 1 356 . 1 1 32 32 GLU HG3 H 1 2.296 0.020 . 2 . . . . 32 GLU HG3 . 16897 1 357 . 1 1 32 32 GLU C C 13 178.164 0.400 . 1 . . . . 32 GLU C . 16897 1 358 . 1 1 32 32 GLU CA C 13 60.555 0.400 . 1 . . . . 32 GLU CA . 16897 1 359 . 1 1 32 32 GLU CB C 13 29.359 0.400 . 1 . . . . 32 GLU CB . 16897 1 360 . 1 1 32 32 GLU CG C 13 36.150 0.400 . 1 . . . . 32 GLU CG . 16897 1 361 . 1 1 32 32 GLU N N 15 121.701 0.400 . 1 . . . . 32 GLU N . 16897 1 362 . 1 1 33 33 GLU H H 1 8.181 0.020 . 1 . . . . 33 GLU H . 16897 1 363 . 1 1 33 33 GLU HA H 1 3.962 0.020 . 1 . . . . 33 GLU HA . 16897 1 364 . 1 1 33 33 GLU HB2 H 1 2.079 0.020 . 2 . . . . 33 GLU HB2 . 16897 1 365 . 1 1 33 33 GLU HB3 H 1 1.970 0.020 . 2 . . . . 33 GLU HB3 . 16897 1 366 . 1 1 33 33 GLU HG2 H 1 2.269 0.020 . 2 . . . . 33 GLU HG2 . 16897 1 367 . 1 1 33 33 GLU HG3 H 1 2.269 0.020 . 2 . . . . 33 GLU HG3 . 16897 1 368 . 1 1 33 33 GLU C C 13 179.853 0.400 . 1 . . . . 33 GLU C . 16897 1 369 . 1 1 33 33 GLU CA C 13 59.649 0.400 . 1 . . . . 33 GLU CA . 16897 1 370 . 1 1 33 33 GLU CB C 13 29.380 0.400 . 1 . . . . 33 GLU CB . 16897 1 371 . 1 1 33 33 GLU CG C 13 36.772 0.400 . 1 . . . . 33 GLU CG . 16897 1 372 . 1 1 33 33 GLU N N 15 119.622 0.400 . 1 . . . . 33 GLU N . 16897 1 373 . 1 1 34 34 LEU H H 1 8.708 0.020 . 1 . . . . 34 LEU H . 16897 1 374 . 1 1 34 34 LEU HA H 1 3.959 0.020 . 1 . . . . 34 LEU HA . 16897 1 375 . 1 1 34 34 LEU HB2 H 1 1.724 0.020 . 2 . . . . 34 LEU HB2 . 16897 1 376 . 1 1 34 34 LEU HB3 H 1 1.296 0.020 . 2 . . . . 34 LEU HB3 . 16897 1 377 . 1 1 34 34 LEU HD11 H 1 0.664 0.020 . 2 . . . . 34 LEU HD1 . 16897 1 378 . 1 1 34 34 LEU HD12 H 1 0.664 0.020 . 2 . . . . 34 LEU HD1 . 16897 1 379 . 1 1 34 34 LEU HD13 H 1 0.664 0.020 . 2 . . . . 34 LEU HD1 . 16897 1 380 . 1 1 34 34 LEU HD21 H 1 0.704 0.020 . 2 . . . . 34 LEU HD2 . 16897 1 381 . 1 1 34 34 LEU HD22 H 1 0.704 0.020 . 2 . . . . 34 LEU HD2 . 16897 1 382 . 1 1 34 34 LEU HD23 H 1 0.704 0.020 . 2 . . . . 34 LEU HD2 . 16897 1 383 . 1 1 34 34 LEU HG H 1 1.716 0.020 . 1 . . . . 34 LEU HG . 16897 1 384 . 1 1 34 34 LEU C C 13 178.783 0.400 . 1 . . . . 34 LEU C . 16897 1 385 . 1 1 34 34 LEU CA C 13 57.548 0.400 . 1 . . . . 34 LEU CA . 16897 1 386 . 1 1 34 34 LEU CB C 13 42.329 0.400 . 1 . . . . 34 LEU CB . 16897 1 387 . 1 1 34 34 LEU CD2 C 13 22.639 0.400 . 1 . . . . 34 LEU CD2 . 16897 1 388 . 1 1 34 34 LEU N N 15 120.175 0.400 . 1 . . . . 34 LEU N . 16897 1 389 . 1 1 35 35 THR H H 1 8.139 0.020 . 1 . . . . 35 THR H . 16897 1 390 . 1 1 35 35 THR HA H 1 3.574 0.020 . 1 . . . . 35 THR HA . 16897 1 391 . 1 1 35 35 THR HB H 1 4.201 0.020 . 1 . . . . 35 THR HB . 16897 1 392 . 1 1 35 35 THR HG21 H 1 1.063 0.020 . 1 . . . . 35 THR HG2 . 16897 1 393 . 1 1 35 35 THR HG22 H 1 1.063 0.020 . 1 . . . . 35 THR HG2 . 16897 1 394 . 1 1 35 35 THR HG23 H 1 1.063 0.020 . 1 . . . . 35 THR HG2 . 16897 1 395 . 1 1 35 35 THR C C 13 175.557 0.400 . 1 . . . . 35 THR C . 16897 1 396 . 1 1 35 35 THR CA C 13 68.295 0.400 . 1 . . . . 35 THR CA . 16897 1 397 . 1 1 35 35 THR CB C 13 67.896 0.400 . 1 . . . . 35 THR CB . 16897 1 398 . 1 1 35 35 THR CG2 C 13 21.425 0.400 . 1 . . . . 35 THR CG2 . 16897 1 399 . 1 1 35 35 THR N N 15 116.346 0.400 . 1 . . . . 35 THR N . 16897 1 400 . 1 1 36 36 GLU H H 1 7.802 0.020 . 1 . . . . 36 GLU H . 16897 1 401 . 1 1 36 36 GLU HA H 1 3.846 0.020 . 1 . . . . 36 GLU HA . 16897 1 402 . 1 1 36 36 GLU HB2 H 1 2.028 0.020 . 2 . . . . 36 GLU HB2 . 16897 1 403 . 1 1 36 36 GLU HB3 H 1 2.010 0.020 . 2 . . . . 36 GLU HB3 . 16897 1 404 . 1 1 36 36 GLU HG2 H 1 2.366 0.020 . 2 . . . . 36 GLU HG2 . 16897 1 405 . 1 1 36 36 GLU HG3 H 1 2.228 0.020 . 2 . . . . 36 GLU HG3 . 16897 1 406 . 1 1 36 36 GLU C C 13 178.866 0.400 . 1 . . . . 36 GLU C . 16897 1 407 . 1 1 36 36 GLU CA C 13 59.419 0.400 . 1 . . . . 36 GLU CA . 16897 1 408 . 1 1 36 36 GLU CB C 13 29.067 0.400 . 1 . . . . 36 GLU CB . 16897 1 409 . 1 1 36 36 GLU CG C 13 36.060 0.400 . 1 . . . . 36 GLU CG . 16897 1 410 . 1 1 36 36 GLU N N 15 118.999 0.400 . 1 . . . . 36 GLU N . 16897 1 411 . 1 1 37 37 LYS H H 1 7.564 0.020 . 1 . . . . 37 LYS H . 16897 1 412 . 1 1 37 37 LYS HA H 1 3.979 0.020 . 1 . . . . 37 LYS HA . 16897 1 413 . 1 1 37 37 LYS HB2 H 1 1.834 0.020 . 2 . . . . 37 LYS HB2 . 16897 1 414 . 1 1 37 37 LYS HB3 H 1 1.643 0.020 . 2 . . . . 37 LYS HB3 . 16897 1 415 . 1 1 37 37 LYS HD2 H 1 1.546 0.020 . 2 . . . . 37 LYS HD2 . 16897 1 416 . 1 1 37 37 LYS HD3 H 1 1.546 0.020 . 2 . . . . 37 LYS HD3 . 16897 1 417 . 1 1 37 37 LYS HE2 H 1 2.852 0.020 . 2 . . . . 37 LYS HE2 . 16897 1 418 . 1 1 37 37 LYS HE3 H 1 2.806 0.020 . 2 . . . . 37 LYS HE3 . 16897 1 419 . 1 1 37 37 LYS HG2 H 1 1.506 0.020 . 2 . . . . 37 LYS HG2 . 16897 1 420 . 1 1 37 37 LYS HG3 H 1 1.160 0.020 . 2 . . . . 37 LYS HG3 . 16897 1 421 . 1 1 37 37 LYS C C 13 178.126 0.400 . 1 . . . . 37 LYS C . 16897 1 422 . 1 1 37 37 LYS CA C 13 59.511 0.400 . 1 . . . . 37 LYS CA . 16897 1 423 . 1 1 37 37 LYS CB C 13 32.906 0.400 . 1 . . . . 37 LYS CB . 16897 1 424 . 1 1 37 37 LYS CD C 13 29.941 0.400 . 1 . . . . 37 LYS CD . 16897 1 425 . 1 1 37 37 LYS CG C 13 25.422 0.400 . 1 . . . . 37 LYS CG . 16897 1 426 . 1 1 37 37 LYS N N 15 119.436 0.400 . 1 . . . . 37 LYS N . 16897 1 427 . 1 1 38 38 LEU H H 1 7.945 0.020 . 1 . . . . 38 LEU H . 16897 1 428 . 1 1 38 38 LEU HA H 1 3.776 0.020 . 1 . . . . 38 LEU HA . 16897 1 429 . 1 1 38 38 LEU HB2 H 1 1.737 0.020 . 2 . . . . 38 LEU HB2 . 16897 1 430 . 1 1 38 38 LEU HB3 H 1 1.412 0.020 . 2 . . . . 38 LEU HB3 . 16897 1 431 . 1 1 38 38 LEU HD11 H 1 0.701 0.020 . 2 . . . . 38 LEU HD1 . 16897 1 432 . 1 1 38 38 LEU HD12 H 1 0.701 0.020 . 2 . . . . 38 LEU HD1 . 16897 1 433 . 1 1 38 38 LEU HD13 H 1 0.701 0.020 . 2 . . . . 38 LEU HD1 . 16897 1 434 . 1 1 38 38 LEU HD21 H 1 0.657 0.020 . 2 . . . . 38 LEU HD2 . 16897 1 435 . 1 1 38 38 LEU HD22 H 1 0.657 0.020 . 2 . . . . 38 LEU HD2 . 16897 1 436 . 1 1 38 38 LEU HD23 H 1 0.657 0.020 . 2 . . . . 38 LEU HD2 . 16897 1 437 . 1 1 38 38 LEU HG H 1 1.612 0.020 . 1 . . . . 38 LEU HG . 16897 1 438 . 1 1 38 38 LEU C C 13 178.269 0.400 . 1 . . . . 38 LEU C . 16897 1 439 . 1 1 38 38 LEU CA C 13 58.137 0.400 . 1 . . . . 38 LEU CA . 16897 1 440 . 1 1 38 38 LEU CB C 13 41.512 0.400 . 1 . . . . 38 LEU CB . 16897 1 441 . 1 1 38 38 LEU CD1 C 13 25.481 0.400 . 1 . . . . 38 LEU CD1 . 16897 1 442 . 1 1 38 38 LEU CD2 C 13 25.000 0.400 . 1 . . . . 38 LEU CD2 . 16897 1 443 . 1 1 38 38 LEU N N 15 118.164 0.400 . 1 . . . . 38 LEU N . 16897 1 444 . 1 1 39 39 ILE H H 1 8.078 0.020 . 1 . . . . 39 ILE H . 16897 1 445 . 1 1 39 39 ILE HA H 1 3.494 0.020 . 1 . . . . 39 ILE HA . 16897 1 446 . 1 1 39 39 ILE HB H 1 1.762 0.020 . 1 . . . . 39 ILE HB . 16897 1 447 . 1 1 39 39 ILE HD11 H 1 0.681 0.020 . 1 . . . . 39 ILE HD1 . 16897 1 448 . 1 1 39 39 ILE HD12 H 1 0.681 0.020 . 1 . . . . 39 ILE HD1 . 16897 1 449 . 1 1 39 39 ILE HD13 H 1 0.681 0.020 . 1 . . . . 39 ILE HD1 . 16897 1 450 . 1 1 39 39 ILE HG12 H 1 1.743 0.020 . 2 . . . . 39 ILE HG12 . 16897 1 451 . 1 1 39 39 ILE HG13 H 1 0.956 0.020 . 2 . . . . 39 ILE HG13 . 16897 1 452 . 1 1 39 39 ILE HG21 H 1 0.832 0.020 . 1 . . . . 39 ILE HG2 . 16897 1 453 . 1 1 39 39 ILE HG22 H 1 0.832 0.020 . 1 . . . . 39 ILE HG2 . 16897 1 454 . 1 1 39 39 ILE HG23 H 1 0.832 0.020 . 1 . . . . 39 ILE HG2 . 16897 1 455 . 1 1 39 39 ILE C C 13 178.441 0.400 . 1 . . . . 39 ILE C . 16897 1 456 . 1 1 39 39 ILE CA C 13 65.757 0.400 . 1 . . . . 39 ILE CA . 16897 1 457 . 1 1 39 39 ILE CB C 13 38.074 0.400 . 1 . . . . 39 ILE CB . 16897 1 458 . 1 1 39 39 ILE CD1 C 13 13.937 0.400 . 1 . . . . 39 ILE CD1 . 16897 1 459 . 1 1 39 39 ILE CG1 C 13 29.774 0.400 . 1 . . . . 39 ILE CG1 . 16897 1 460 . 1 1 39 39 ILE CG2 C 13 16.924 0.400 . 1 . . . . 39 ILE CG2 . 16897 1 461 . 1 1 39 39 ILE N N 15 117.585 0.400 . 1 . . . . 39 ILE N . 16897 1 462 . 1 1 40 40 GLU H H 1 7.668 0.020 . 1 . . . . 40 GLU H . 16897 1 463 . 1 1 40 40 GLU HA H 1 4.011 0.020 . 1 . . . . 40 GLU HA . 16897 1 464 . 1 1 40 40 GLU HB2 H 1 2.104 0.020 . 2 . . . . 40 GLU HB2 . 16897 1 465 . 1 1 40 40 GLU HB3 H 1 2.065 0.020 . 2 . . . . 40 GLU HB3 . 16897 1 466 . 1 1 40 40 GLU HG2 H 1 2.323 0.020 . 2 . . . . 40 GLU HG2 . 16897 1 467 . 1 1 40 40 GLU HG3 H 1 2.215 0.020 . 2 . . . . 40 GLU HG3 . 16897 1 468 . 1 1 40 40 GLU C C 13 178.364 0.400 . 1 . . . . 40 GLU C . 16897 1 469 . 1 1 40 40 GLU CA C 13 58.660 0.400 . 1 . . . . 40 GLU CA . 16897 1 470 . 1 1 40 40 GLU CB C 13 29.840 0.400 . 1 . . . . 40 GLU CB . 16897 1 471 . 1 1 40 40 GLU CG C 13 36.330 0.400 . 1 . . . . 40 GLU CG . 16897 1 472 . 1 1 40 40 GLU N N 15 116.744 0.400 . 1 . . . . 40 GLU N . 16897 1 473 . 1 1 41 41 ARG H H 1 7.700 0.020 . 1 . . . . 41 ARG H . 16897 1 474 . 1 1 41 41 ARG HA H 1 4.182 0.020 . 1 . . . . 41 ARG HA . 16897 1 475 . 1 1 41 41 ARG HB2 H 1 1.805 0.020 . 2 . . . . 41 ARG HB2 . 16897 1 476 . 1 1 41 41 ARG HB3 H 1 1.513 0.020 . 2 . . . . 41 ARG HB3 . 16897 1 477 . 1 1 41 41 ARG HD2 H 1 3.178 0.020 . 2 . . . . 41 ARG HD2 . 16897 1 478 . 1 1 41 41 ARG HD3 H 1 2.690 0.020 . 2 . . . . 41 ARG HD3 . 16897 1 479 . 1 1 41 41 ARG HG2 H 1 1.866 0.020 . 2 . . . . 41 ARG HG2 . 16897 1 480 . 1 1 41 41 ARG HG3 H 1 1.627 0.020 . 2 . . . . 41 ARG HG3 . 16897 1 481 . 1 1 41 41 ARG C C 13 177.104 0.400 . 1 . . . . 41 ARG C . 16897 1 482 . 1 1 41 41 ARG CA C 13 57.347 0.400 . 1 . . . . 41 ARG CA . 16897 1 483 . 1 1 41 41 ARG CB C 13 32.089 0.400 . 1 . . . . 41 ARG CB . 16897 1 484 . 1 1 41 41 ARG CG C 13 28.006 0.400 . 1 . . . . 41 ARG CG . 16897 1 485 . 1 1 41 41 ARG N N 15 116.087 0.400 . 1 . . . . 41 ARG N . 16897 1 486 . 1 1 42 42 LEU H H 1 7.930 0.020 . 1 . . . . 42 LEU H . 16897 1 487 . 1 1 42 42 LEU HA H 1 4.448 0.020 . 1 . . . . 42 LEU HA . 16897 1 488 . 1 1 42 42 LEU HB2 H 1 1.784 0.020 . 2 . . . . 42 LEU HB2 . 16897 1 489 . 1 1 42 42 LEU HB3 H 1 1.498 0.020 . 2 . . . . 42 LEU HB3 . 16897 1 490 . 1 1 42 42 LEU HD11 H 1 0.851 0.020 . 2 . . . . 42 LEU HD1 . 16897 1 491 . 1 1 42 42 LEU HD12 H 1 0.851 0.020 . 2 . . . . 42 LEU HD1 . 16897 1 492 . 1 1 42 42 LEU HD13 H 1 0.851 0.020 . 2 . . . . 42 LEU HD1 . 16897 1 493 . 1 1 42 42 LEU HD21 H 1 0.709 0.020 . 2 . . . . 42 LEU HD2 . 16897 1 494 . 1 1 42 42 LEU HD22 H 1 0.709 0.020 . 2 . . . . 42 LEU HD2 . 16897 1 495 . 1 1 42 42 LEU HD23 H 1 0.709 0.020 . 2 . . . . 42 LEU HD2 . 16897 1 496 . 1 1 42 42 LEU HG H 1 1.815 0.020 . 1 . . . . 42 LEU HG . 16897 1 497 . 1 1 42 42 LEU C C 13 176.743 0.400 . 1 . . . . 42 LEU C . 16897 1 498 . 1 1 42 42 LEU CA C 13 54.866 0.400 . 1 . . . . 42 LEU CA . 16897 1 499 . 1 1 42 42 LEU CB C 13 42.993 0.400 . 1 . . . . 42 LEU CB . 16897 1 500 . 1 1 42 42 LEU CD1 C 13 23.920 0.400 . 1 . . . . 42 LEU CD1 . 16897 1 501 . 1 1 42 42 LEU CD2 C 13 26.250 0.400 . 1 . . . . 42 LEU CD2 . 16897 1 502 . 1 1 42 42 LEU N N 15 120.218 0.400 . 1 . . . . 42 LEU N . 16897 1 503 . 1 1 43 43 ASP H H 1 8.876 0.020 . 1 . . . . 43 ASP H . 16897 1 504 . 1 1 43 43 ASP HA H 1 4.694 0.020 . 1 . . . . 43 ASP HA . 16897 1 505 . 1 1 43 43 ASP HB2 H 1 2.723 0.020 . 2 . . . . 43 ASP HB2 . 16897 1 506 . 1 1 43 43 ASP HB3 H 1 2.484 0.020 . 2 . . . . 43 ASP HB3 . 16897 1 507 . 1 1 43 43 ASP C C 13 176.537 0.400 . 1 . . . . 43 ASP C . 16897 1 508 . 1 1 43 43 ASP CA C 13 54.285 0.400 . 1 . . . . 43 ASP CA . 16897 1 509 . 1 1 43 43 ASP CB C 13 40.914 0.400 . 1 . . . . 43 ASP CB . 16897 1 510 . 1 1 43 43 ASP N N 15 123.074 0.400 . 1 . . . . 43 ASP N . 16897 1 511 . 1 1 44 44 GLU H H 1 7.920 0.020 . 1 . . . . 44 GLU H . 16897 1 512 . 1 1 44 44 GLU HA H 1 4.442 0.020 . 1 . . . . 44 GLU HA . 16897 1 513 . 1 1 44 44 GLU HB2 H 1 2.144 0.020 . 2 . . . . 44 GLU HB2 . 16897 1 514 . 1 1 44 44 GLU HB3 H 1 1.502 0.020 . 2 . . . . 44 GLU HB3 . 16897 1 515 . 1 1 44 44 GLU HG2 H 1 2.273 0.020 . 2 . . . . 44 GLU HG2 . 16897 1 516 . 1 1 44 44 GLU HG3 H 1 2.182 0.020 . 2 . . . . 44 GLU HG3 . 16897 1 517 . 1 1 44 44 GLU C C 13 175.310 0.400 . 1 . . . . 44 GLU C . 16897 1 518 . 1 1 44 44 GLU CA C 13 56.140 0.400 . 1 . . . . 44 GLU CA . 16897 1 519 . 1 1 44 44 GLU CB C 13 31.381 0.400 . 1 . . . . 44 GLU CB . 16897 1 520 . 1 1 44 44 GLU CG C 13 36.420 0.400 . 1 . . . . 44 GLU CG . 16897 1 521 . 1 1 44 44 GLU N N 15 118.359 0.400 . 1 . . . . 44 GLU N . 16897 1 522 . 1 1 45 45 ASP H H 1 8.673 0.020 . 1 . . . . 45 ASP H . 16897 1 523 . 1 1 45 45 ASP HA H 1 4.509 0.020 . 1 . . . . 45 ASP HA . 16897 1 524 . 1 1 45 45 ASP HB2 H 1 2.833 0.020 . 2 . . . . 45 ASP HB2 . 16897 1 525 . 1 1 45 45 ASP HB3 H 1 2.657 0.020 . 2 . . . . 45 ASP HB3 . 16897 1 526 . 1 1 45 45 ASP C C 13 175.596 0.400 . 1 . . . . 45 ASP C . 16897 1 527 . 1 1 45 45 ASP CA C 13 55.627 0.400 . 1 . . . . 45 ASP CA . 16897 1 528 . 1 1 45 45 ASP CB C 13 41.440 0.400 . 1 . . . . 45 ASP CB . 16897 1 529 . 1 1 45 45 ASP N N 15 121.659 0.400 . 1 . . . . 45 ASP N . 16897 1 530 . 1 1 46 46 THR H H 1 7.992 0.020 . 1 . . . . 46 THR H . 16897 1 531 . 1 1 46 46 THR HA H 1 5.314 0.020 . 1 . . . . 46 THR HA . 16897 1 532 . 1 1 46 46 THR HB H 1 3.885 0.020 . 1 . . . . 46 THR HB . 16897 1 533 . 1 1 46 46 THR HG21 H 1 1.096 0.020 . 1 . . . . 46 THR HG2 . 16897 1 534 . 1 1 46 46 THR HG22 H 1 1.096 0.020 . 1 . . . . 46 THR HG2 . 16897 1 535 . 1 1 46 46 THR HG23 H 1 1.096 0.020 . 1 . . . . 46 THR HG2 . 16897 1 536 . 1 1 46 46 THR C C 13 174.111 0.400 . 1 . . . . 46 THR C . 16897 1 537 . 1 1 46 46 THR CA C 13 59.654 0.400 . 1 . . . . 46 THR CA . 16897 1 538 . 1 1 46 46 THR CB C 13 72.765 0.400 . 1 . . . . 46 THR CB . 16897 1 539 . 1 1 46 46 THR CG2 C 13 22.537 0.400 . 1 . . . . 46 THR CG2 . 16897 1 540 . 1 1 46 46 THR N N 15 113.506 0.400 . 1 . . . . 46 THR N . 16897 1 541 . 1 1 47 47 GLU H H 1 8.634 0.020 . 1 . . . . 47 GLU H . 16897 1 542 . 1 1 47 47 GLU HA H 1 4.563 0.020 . 1 . . . . 47 GLU HA . 16897 1 543 . 1 1 47 47 GLU HB2 H 1 1.923 0.020 . 2 . . . . 47 GLU HB2 . 16897 1 544 . 1 1 47 47 GLU HB3 H 1 1.838 0.020 . 2 . . . . 47 GLU HB3 . 16897 1 545 . 1 1 47 47 GLU HG2 H 1 2.109 0.020 . 2 . . . . 47 GLU HG2 . 16897 1 546 . 1 1 47 47 GLU HG3 H 1 2.083 0.020 . 2 . . . . 47 GLU HG3 . 16897 1 547 . 1 1 47 47 GLU C C 13 174.610 0.400 . 1 . . . . 47 GLU C . 16897 1 548 . 1 1 47 47 GLU CA C 13 54.870 0.400 . 1 . . . . 47 GLU CA . 16897 1 549 . 1 1 47 47 GLU CB C 13 33.795 0.400 . 1 . . . . 47 GLU CB . 16897 1 550 . 1 1 47 47 GLU CG C 13 36.030 0.400 . 1 . . . . 47 GLU CG . 16897 1 551 . 1 1 47 47 GLU N N 15 120.010 0.400 . 1 . . . . 47 GLU N . 16897 1 552 . 1 1 48 48 ARG H H 1 8.796 0.020 . 1 . . . . 48 ARG H . 16897 1 553 . 1 1 48 48 ARG HA H 1 4.704 0.020 . 1 . . . . 48 ARG HA . 16897 1 554 . 1 1 48 48 ARG HB2 H 1 1.866 0.020 . 2 . . . . 48 ARG HB2 . 16897 1 555 . 1 1 48 48 ARG HB3 H 1 1.646 0.020 . 2 . . . . 48 ARG HB3 . 16897 1 556 . 1 1 48 48 ARG HD2 H 1 3.080 0.020 . 2 . . . . 48 ARG HD2 . 16897 1 557 . 1 1 48 48 ARG HD3 H 1 3.047 0.020 . 2 . . . . 48 ARG HD3 . 16897 1 558 . 1 1 48 48 ARG HG2 H 1 1.645 0.020 . 2 . . . . 48 ARG HG2 . 16897 1 559 . 1 1 48 48 ARG HG3 H 1 1.402 0.020 . 2 . . . . 48 ARG HG3 . 16897 1 560 . 1 1 48 48 ARG C C 13 176.291 0.400 . 1 . . . . 48 ARG C . 16897 1 561 . 1 1 48 48 ARG CA C 13 55.696 0.400 . 1 . . . . 48 ARG CA . 16897 1 562 . 1 1 48 48 ARG CB C 13 31.237 0.400 . 1 . . . . 48 ARG CB . 16897 1 563 . 1 1 48 48 ARG CG C 13 27.902 0.400 . 1 . . . . 48 ARG CG . 16897 1 564 . 1 1 48 48 ARG N N 15 122.992 0.400 . 1 . . . . 48 ARG N . 16897 1 565 . 1 1 49 49 ASP H H 1 8.154 0.020 . 1 . . . . 49 ASP H . 16897 1 566 . 1 1 49 49 ASP HA H 1 4.685 0.020 . 1 . . . . 49 ASP HA . 16897 1 567 . 1 1 49 49 ASP HB2 H 1 2.369 0.020 . 2 . . . . 49 ASP HB2 . 16897 1 568 . 1 1 49 49 ASP HB3 H 1 2.337 0.020 . 2 . . . . 49 ASP HB3 . 16897 1 569 . 1 1 49 49 ASP C C 13 174.759 0.400 . 1 . . . . 49 ASP C . 16897 1 570 . 1 1 49 49 ASP CA C 13 54.029 0.400 . 1 . . . . 49 ASP CA . 16897 1 571 . 1 1 49 49 ASP CB C 13 43.251 0.400 . 1 . . . . 49 ASP CB . 16897 1 572 . 1 1 49 49 ASP N N 15 122.129 0.400 . 1 . . . . 49 ASP N . 16897 1 573 . 1 1 50 50 ASP H H 1 8.955 0.020 . 1 . . . . 50 ASP H . 16897 1 574 . 1 1 50 50 ASP HA H 1 4.137 0.020 . 1 . . . . 50 ASP HA . 16897 1 575 . 1 1 50 50 ASP HB2 H 1 2.928 0.020 . 2 . . . . 50 ASP HB2 . 16897 1 576 . 1 1 50 50 ASP HB3 H 1 2.482 0.020 . 2 . . . . 50 ASP HB3 . 16897 1 577 . 1 1 50 50 ASP C C 13 175.613 0.400 . 1 . . . . 50 ASP C . 16897 1 578 . 1 1 50 50 ASP CA C 13 55.780 0.400 . 1 . . . . 50 ASP CA . 16897 1 579 . 1 1 50 50 ASP CB C 13 39.759 0.400 . 1 . . . . 50 ASP CB . 16897 1 580 . 1 1 50 50 ASP N N 15 126.183 0.400 . 1 . . . . 50 ASP N . 16897 1 581 . 1 1 51 51 GLY H H 1 8.475 0.020 . 1 . . . . 51 GLY H . 16897 1 582 . 1 1 51 51 GLY HA2 H 1 4.066 0.020 . 2 . . . . 51 GLY HA2 . 16897 1 583 . 1 1 51 51 GLY HA3 H 1 3.792 0.020 . 2 . . . . 51 GLY HA3 . 16897 1 584 . 1 1 51 51 GLY C C 13 174.233 0.400 . 1 . . . . 51 GLY C . 16897 1 585 . 1 1 51 51 GLY CA C 13 45.629 0.400 . 1 . . . . 51 GLY CA . 16897 1 586 . 1 1 51 51 GLY N N 15 108.406 0.400 . 1 . . . . 51 GLY N . 16897 1 587 . 1 1 52 52 ASP H H 1 8.011 0.020 . 1 . . . . 52 ASP H . 16897 1 588 . 1 1 52 52 ASP HA H 1 5.055 0.020 . 1 . . . . 52 ASP HA . 16897 1 589 . 1 1 52 52 ASP HB2 H 1 2.738 0.020 . 2 . . . . 52 ASP HB2 . 16897 1 590 . 1 1 52 52 ASP HB3 H 1 2.579 0.020 . 2 . . . . 52 ASP HB3 . 16897 1 591 . 1 1 52 52 ASP C C 13 175.220 0.400 . 1 . . . . 52 ASP C . 16897 1 592 . 1 1 52 52 ASP CA C 13 53.241 0.400 . 1 . . . . 52 ASP CA . 16897 1 593 . 1 1 52 52 ASP CB C 13 42.247 0.400 . 1 . . . . 52 ASP CB . 16897 1 594 . 1 1 52 52 ASP N N 15 121.540 0.400 . 1 . . . . 52 ASP N . 16897 1 595 . 1 1 53 53 LEU H H 1 8.469 0.020 . 1 . . . . 53 LEU H . 16897 1 596 . 1 1 53 53 LEU HA H 1 4.933 0.020 . 1 . . . . 53 LEU HA . 16897 1 597 . 1 1 53 53 LEU HB2 H 1 1.589 0.020 . 2 . . . . 53 LEU HB2 . 16897 1 598 . 1 1 53 53 LEU HB3 H 1 1.370 0.020 . 2 . . . . 53 LEU HB3 . 16897 1 599 . 1 1 53 53 LEU HD11 H 1 0.785 0.020 . 2 . . . . 53 LEU HD1 . 16897 1 600 . 1 1 53 53 LEU HD12 H 1 0.785 0.020 . 2 . . . . 53 LEU HD1 . 16897 1 601 . 1 1 53 53 LEU HD13 H 1 0.785 0.020 . 2 . . . . 53 LEU HD1 . 16897 1 602 . 1 1 53 53 LEU HD21 H 1 0.734 0.020 . 2 . . . . 53 LEU HD2 . 16897 1 603 . 1 1 53 53 LEU HD22 H 1 0.734 0.020 . 2 . . . . 53 LEU HD2 . 16897 1 604 . 1 1 53 53 LEU HD23 H 1 0.734 0.020 . 2 . . . . 53 LEU HD2 . 16897 1 605 . 1 1 53 53 LEU HG H 1 1.401 0.020 . 1 . . . . 53 LEU HG . 16897 1 606 . 1 1 53 53 LEU C C 13 174.358 0.400 . 1 . . . . 53 LEU C . 16897 1 607 . 1 1 53 53 LEU CA C 13 53.350 0.400 . 1 . . . . 53 LEU CA . 16897 1 608 . 1 1 53 53 LEU CB C 13 46.082 0.400 . 1 . . . . 53 LEU CB . 16897 1 609 . 1 1 53 53 LEU CD1 C 13 24.280 0.400 . 1 . . . . 53 LEU CD1 . 16897 1 610 . 1 1 53 53 LEU CD2 C 13 26.339 0.400 . 1 . . . . 53 LEU CD2 . 16897 1 611 . 1 1 53 53 LEU CG C 13 27.330 0.400 . 1 . . . . 53 LEU CG . 16897 1 612 . 1 1 53 53 LEU N N 15 121.983 0.400 . 1 . . . . 53 LEU N . 16897 1 613 . 1 1 54 54 ILE H H 1 9.337 0.020 . 1 . . . . 54 ILE H . 16897 1 614 . 1 1 54 54 ILE HA H 1 5.281 0.020 . 1 . . . . 54 ILE HA . 16897 1 615 . 1 1 54 54 ILE HB H 1 1.871 0.020 . 1 . . . . 54 ILE HB . 16897 1 616 . 1 1 54 54 ILE HD11 H 1 0.644 0.020 . 1 . . . . 54 ILE HD1 . 16897 1 617 . 1 1 54 54 ILE HD12 H 1 0.644 0.020 . 1 . . . . 54 ILE HD1 . 16897 1 618 . 1 1 54 54 ILE HD13 H 1 0.644 0.020 . 1 . . . . 54 ILE HD1 . 16897 1 619 . 1 1 54 54 ILE HG12 H 1 1.318 0.020 . 2 . . . . 54 ILE HG12 . 16897 1 620 . 1 1 54 54 ILE HG13 H 1 1.088 0.020 . 2 . . . . 54 ILE HG13 . 16897 1 621 . 1 1 54 54 ILE HG21 H 1 0.674 0.020 . 1 . . . . 54 ILE HG2 . 16897 1 622 . 1 1 54 54 ILE HG22 H 1 0.674 0.020 . 1 . . . . 54 ILE HG2 . 16897 1 623 . 1 1 54 54 ILE HG23 H 1 0.674 0.020 . 1 . . . . 54 ILE HG2 . 16897 1 624 . 1 1 54 54 ILE C C 13 176.717 0.400 . 1 . . . . 54 ILE C . 16897 1 625 . 1 1 54 54 ILE CA C 13 58.383 0.400 . 1 . . . . 54 ILE CA . 16897 1 626 . 1 1 54 54 ILE CB C 13 37.643 0.400 . 1 . . . . 54 ILE CB . 16897 1 627 . 1 1 54 54 ILE CD1 C 13 10.826 0.400 . 1 . . . . 54 ILE CD1 . 16897 1 628 . 1 1 54 54 ILE CG1 C 13 27.003 0.400 . 1 . . . . 54 ILE CG1 . 16897 1 629 . 1 1 54 54 ILE CG2 C 13 17.691 0.400 . 1 . . . . 54 ILE CG2 . 16897 1 630 . 1 1 54 54 ILE N N 15 125.738 0.400 . 1 . . . . 54 ILE N . 16897 1 631 . 1 1 55 55 ILE H H 1 9.303 0.020 . 1 . . . . 55 ILE H . 16897 1 632 . 1 1 55 55 ILE HA H 1 4.887 0.020 . 1 . . . . 55 ILE HA . 16897 1 633 . 1 1 55 55 ILE HB H 1 1.625 0.020 . 1 . . . . 55 ILE HB . 16897 1 634 . 1 1 55 55 ILE HD11 H 1 0.715 0.020 . 1 . . . . 55 ILE HD1 . 16897 1 635 . 1 1 55 55 ILE HD12 H 1 0.715 0.020 . 1 . . . . 55 ILE HD1 . 16897 1 636 . 1 1 55 55 ILE HD13 H 1 0.715 0.020 . 1 . . . . 55 ILE HD1 . 16897 1 637 . 1 1 55 55 ILE HG12 H 1 1.548 0.020 . 2 . . . . 55 ILE HG12 . 16897 1 638 . 1 1 55 55 ILE HG13 H 1 0.849 0.020 . 2 . . . . 55 ILE HG13 . 16897 1 639 . 1 1 55 55 ILE HG21 H 1 0.771 0.020 . 1 . . . . 55 ILE HG2 . 16897 1 640 . 1 1 55 55 ILE HG22 H 1 0.771 0.020 . 1 . . . . 55 ILE HG2 . 16897 1 641 . 1 1 55 55 ILE HG23 H 1 0.771 0.020 . 1 . . . . 55 ILE HG2 . 16897 1 642 . 1 1 55 55 ILE C C 13 175.708 0.400 . 1 . . . . 55 ILE C . 16897 1 643 . 1 1 55 55 ILE CA C 13 59.841 0.400 . 1 . . . . 55 ILE CA . 16897 1 644 . 1 1 55 55 ILE CB C 13 41.993 0.400 . 1 . . . . 55 ILE CB . 16897 1 645 . 1 1 55 55 ILE CD1 C 13 16.014 0.400 . 1 . . . . 55 ILE CD1 . 16897 1 646 . 1 1 55 55 ILE CG1 C 13 27.303 0.400 . 1 . . . . 55 ILE CG1 . 16897 1 647 . 1 1 55 55 ILE CG2 C 13 17.108 0.400 . 1 . . . . 55 ILE CG2 . 16897 1 648 . 1 1 55 55 ILE N N 15 128.705 0.400 . 1 . . . . 55 ILE N . 16897 1 649 . 1 1 56 56 THR H H 1 8.585 0.020 . 1 . . . . 56 THR H . 16897 1 650 . 1 1 56 56 THR HA H 1 4.931 0.020 . 1 . . . . 56 THR HA . 16897 1 651 . 1 1 56 56 THR HB H 1 3.801 0.020 . 1 . . . . 56 THR HB . 16897 1 652 . 1 1 56 56 THR HG21 H 1 0.438 0.020 . 1 . . . . 56 THR HG2 . 16897 1 653 . 1 1 56 56 THR HG22 H 1 0.438 0.020 . 1 . . . . 56 THR HG2 . 16897 1 654 . 1 1 56 56 THR HG23 H 1 0.438 0.020 . 1 . . . . 56 THR HG2 . 16897 1 655 . 1 1 56 56 THR C C 13 172.252 0.400 . 1 . . . . 56 THR C . 16897 1 656 . 1 1 56 56 THR CA C 13 62.868 0.400 . 1 . . . . 56 THR CA . 16897 1 657 . 1 1 56 56 THR CB C 13 69.219 0.400 . 1 . . . . 56 THR CB . 16897 1 658 . 1 1 56 56 THR CG2 C 13 21.614 0.400 . 1 . . . . 56 THR CG2 . 16897 1 659 . 1 1 56 56 THR N N 15 125.013 0.400 . 1 . . . . 56 THR N . 16897 1 660 . 1 1 57 57 VAL H H 1 8.824 0.020 . 1 . . . . 57 VAL H . 16897 1 661 . 1 1 57 57 VAL HA H 1 4.030 0.020 . 1 . . . . 57 VAL HA . 16897 1 662 . 1 1 57 57 VAL HB H 1 2.032 0.020 . 1 . . . . 57 VAL HB . 16897 1 663 . 1 1 57 57 VAL HG11 H 1 0.879 0.020 . 2 . . . . 57 VAL HG1 . 16897 1 664 . 1 1 57 57 VAL HG12 H 1 0.879 0.020 . 2 . . . . 57 VAL HG1 . 16897 1 665 . 1 1 57 57 VAL HG13 H 1 0.879 0.020 . 2 . . . . 57 VAL HG1 . 16897 1 666 . 1 1 57 57 VAL HG21 H 1 0.518 0.020 . 2 . . . . 57 VAL HG2 . 16897 1 667 . 1 1 57 57 VAL HG22 H 1 0.518 0.020 . 2 . . . . 57 VAL HG2 . 16897 1 668 . 1 1 57 57 VAL HG23 H 1 0.518 0.020 . 2 . . . . 57 VAL HG2 . 16897 1 669 . 1 1 57 57 VAL C C 13 174.058 0.400 . 1 . . . . 57 VAL C . 16897 1 670 . 1 1 57 57 VAL CA C 13 61.110 0.400 . 1 . . . . 57 VAL CA . 16897 1 671 . 1 1 57 57 VAL CB C 13 34.395 0.400 . 1 . . . . 57 VAL CB . 16897 1 672 . 1 1 57 57 VAL CG1 C 13 21.663 0.400 . 1 . . . . 57 VAL CG1 . 16897 1 673 . 1 1 57 57 VAL CG2 C 13 21.040 0.400 . 1 . . . . 57 VAL CG2 . 16897 1 674 . 1 1 57 57 VAL N N 15 127.273 0.400 . 1 . . . . 57 VAL N . 16897 1 675 . 1 1 58 58 PHE H H 1 8.528 0.020 . 1 . . . . 58 PHE H . 16897 1 676 . 1 1 58 58 PHE HA H 1 5.414 0.020 . 1 . . . . 58 PHE HA . 16897 1 677 . 1 1 58 58 PHE HB2 H 1 2.995 0.020 . 2 . . . . 58 PHE HB2 . 16897 1 678 . 1 1 58 58 PHE HB3 H 1 2.733 0.020 . 2 . . . . 58 PHE HB3 . 16897 1 679 . 1 1 58 58 PHE HD1 H 1 7.186 0.020 . 1 . . . . 58 PHE HD1 . 16897 1 680 . 1 1 58 58 PHE HD2 H 1 7.186 0.020 . 1 . . . . 58 PHE HD2 . 16897 1 681 . 1 1 58 58 PHE C C 13 175.621 0.400 . 1 . . . . 58 PHE C . 16897 1 682 . 1 1 58 58 PHE CA C 13 57.282 0.400 . 1 . . . . 58 PHE CA . 16897 1 683 . 1 1 58 58 PHE CB C 13 41.510 0.400 . 1 . . . . 58 PHE CB . 16897 1 684 . 1 1 58 58 PHE N N 15 123.652 0.400 . 1 . . . . 58 PHE N . 16897 1 685 . 1 1 59 59 TYR H H 1 8.791 0.020 . 1 . . . . 59 TYR H . 16897 1 686 . 1 1 59 59 TYR HA H 1 4.827 0.020 . 1 . . . . 59 TYR HA . 16897 1 687 . 1 1 59 59 TYR HB2 H 1 3.141 0.020 . 2 . . . . 59 TYR HB2 . 16897 1 688 . 1 1 59 59 TYR HB3 H 1 2.259 0.020 . 2 . . . . 59 TYR HB3 . 16897 1 689 . 1 1 59 59 TYR HD1 H 1 6.758 0.020 . 1 . . . . 59 TYR HD1 . 16897 1 690 . 1 1 59 59 TYR HD2 H 1 6.758 0.020 . 1 . . . . 59 TYR HD2 . 16897 1 691 . 1 1 59 59 TYR HE1 H 1 6.928 0.020 . 1 . . . . 59 TYR HE1 . 16897 1 692 . 1 1 59 59 TYR HE2 H 1 6.928 0.020 . 1 . . . . 59 TYR HE2 . 16897 1 693 . 1 1 59 59 TYR C C 13 175.817 0.400 . 1 . . . . 59 TYR C . 16897 1 694 . 1 1 59 59 TYR CA C 13 56.988 0.400 . 1 . . . . 59 TYR CA . 16897 1 695 . 1 1 59 59 TYR CB C 13 43.600 0.400 . 1 . . . . 59 TYR CB . 16897 1 696 . 1 1 59 59 TYR N N 15 118.029 0.400 . 1 . . . . 59 TYR N . 16897 1 697 . 1 1 60 60 GLU H H 1 8.951 0.020 . 1 . . . . 60 GLU H . 16897 1 698 . 1 1 60 60 GLU HA H 1 4.469 0.020 . 1 . . . . 60 GLU HA . 16897 1 699 . 1 1 60 60 GLU HB2 H 1 2.390 0.020 . 2 . . . . 60 GLU HB2 . 16897 1 700 . 1 1 60 60 GLU HB3 H 1 1.997 0.020 . 2 . . . . 60 GLU HB3 . 16897 1 701 . 1 1 60 60 GLU HG2 H 1 2.472 0.020 . 2 . . . . 60 GLU HG2 . 16897 1 702 . 1 1 60 60 GLU HG3 H 1 2.396 0.020 . 2 . . . . 60 GLU HG3 . 16897 1 703 . 1 1 60 60 GLU C C 13 178.365 0.400 . 1 . . . . 60 GLU C . 16897 1 704 . 1 1 60 60 GLU CA C 13 56.918 0.400 . 1 . . . . 60 GLU CA . 16897 1 705 . 1 1 60 60 GLU CB C 13 30.161 0.400 . 1 . . . . 60 GLU CB . 16897 1 706 . 1 1 60 60 GLU CG C 13 36.631 0.400 . 1 . . . . 60 GLU CG . 16897 1 707 . 1 1 60 60 GLU N N 15 122.088 0.400 . 1 . . . . 60 GLU N . 16897 1 708 . 1 1 61 61 ARG H H 1 8.938 0.020 . 1 . . . . 61 ARG H . 16897 1 709 . 1 1 61 61 ARG HA H 1 4.129 0.020 . 1 . . . . 61 ARG HA . 16897 1 710 . 1 1 61 61 ARG HB2 H 1 1.894 0.020 . 2 . . . . 61 ARG HB2 . 16897 1 711 . 1 1 61 61 ARG HB3 H 1 1.810 0.020 . 2 . . . . 61 ARG HB3 . 16897 1 712 . 1 1 61 61 ARG HD2 H 1 3.147 0.020 . 2 . . . . 61 ARG HD2 . 16897 1 713 . 1 1 61 61 ARG HD3 H 1 3.123 0.020 . 2 . . . . 61 ARG HD3 . 16897 1 714 . 1 1 61 61 ARG HG2 H 1 1.720 0.020 . 2 . . . . 61 ARG HG2 . 16897 1 715 . 1 1 61 61 ARG HG3 H 1 1.649 0.020 . 2 . . . . 61 ARG HG3 . 16897 1 716 . 1 1 61 61 ARG C C 13 178.706 0.400 . 1 . . . . 61 ARG C . 16897 1 717 . 1 1 61 61 ARG CA C 13 59.726 0.400 . 1 . . . . 61 ARG CA . 16897 1 718 . 1 1 61 61 ARG CB C 13 30.223 0.400 . 1 . . . . 61 ARG CB . 16897 1 719 . 1 1 61 61 ARG CG C 13 27.000 0.400 . 1 . . . . 61 ARG CG . 16897 1 720 . 1 1 61 61 ARG N N 15 122.531 0.400 . 1 . . . . 61 ARG N . 16897 1 721 . 1 1 62 62 GLU H H 1 8.981 0.020 . 1 . . . . 62 GLU H . 16897 1 722 . 1 1 62 62 GLU HA H 1 3.917 0.020 . 1 . . . . 62 GLU HA . 16897 1 723 . 1 1 62 62 GLU HB2 H 1 1.692 0.020 . 2 . . . . 62 GLU HB2 . 16897 1 724 . 1 1 62 62 GLU HB3 H 1 1.587 0.020 . 2 . . . . 62 GLU HB3 . 16897 1 725 . 1 1 62 62 GLU HG2 H 1 1.954 0.020 . 2 . . . . 62 GLU HG2 . 16897 1 726 . 1 1 62 62 GLU HG3 H 1 1.899 0.020 . 2 . . . . 62 GLU HG3 . 16897 1 727 . 1 1 62 62 GLU C C 13 176.268 0.400 . 1 . . . . 62 GLU C . 16897 1 728 . 1 1 62 62 GLU CA C 13 58.621 0.400 . 1 . . . . 62 GLU CA . 16897 1 729 . 1 1 62 62 GLU CB C 13 28.816 0.400 . 1 . . . . 62 GLU CB . 16897 1 730 . 1 1 62 62 GLU CG C 13 36.258 0.400 . 1 . . . . 62 GLU CG . 16897 1 731 . 1 1 62 62 GLU N N 15 115.922 0.400 . 1 . . . . 62 GLU N . 16897 1 732 . 1 1 63 63 TYR H H 1 7.599 0.020 . 1 . . . . 63 TYR H . 16897 1 733 . 1 1 63 63 TYR HA H 1 4.507 0.020 . 1 . . . . 63 TYR HA . 16897 1 734 . 1 1 63 63 TYR HB2 H 1 3.363 0.020 . 2 . . . . 63 TYR HB2 . 16897 1 735 . 1 1 63 63 TYR HB3 H 1 2.869 0.020 . 2 . . . . 63 TYR HB3 . 16897 1 736 . 1 1 63 63 TYR HD1 H 1 7.057 0.020 . 1 . . . . 63 TYR HD1 . 16897 1 737 . 1 1 63 63 TYR HD2 H 1 7.035 0.020 . 1 . . . . 63 TYR HD2 . 16897 1 738 . 1 1 63 63 TYR C C 13 174.867 0.400 . 1 . . . . 63 TYR C . 16897 1 739 . 1 1 63 63 TYR CA C 13 57.300 0.400 . 1 . . . . 63 TYR CA . 16897 1 740 . 1 1 63 63 TYR CB C 13 39.815 0.400 . 1 . . . . 63 TYR CB . 16897 1 741 . 1 1 63 63 TYR N N 15 116.680 0.400 . 1 . . . . 63 TYR N . 16897 1 742 . 1 1 64 64 PHE H H 1 7.314 0.020 . 1 . . . . 64 PHE H . 16897 1 743 . 1 1 64 64 PHE HA H 1 4.152 0.020 . 1 . . . . 64 PHE HA . 16897 1 744 . 1 1 64 64 PHE HB2 H 1 2.860 0.020 . 2 . . . . 64 PHE HB2 . 16897 1 745 . 1 1 64 64 PHE HB3 H 1 2.835 0.020 . 2 . . . . 64 PHE HB3 . 16897 1 746 . 1 1 64 64 PHE HD1 H 1 6.773 0.020 . 1 . . . . 64 PHE HD1 . 16897 1 747 . 1 1 64 64 PHE CA C 13 53.412 0.400 . 1 . . . . 64 PHE CA . 16897 1 748 . 1 1 64 64 PHE CB C 13 39.489 0.400 . 1 . . . . 64 PHE CB . 16897 1 749 . 1 1 64 64 PHE N N 15 120.997 0.400 . 1 . . . . 64 PHE N . 16897 1 750 . 1 1 65 65 PRO HA H 1 4.331 0.020 . 1 . . . . 65 PRO HA . 16897 1 751 . 1 1 65 65 PRO HB2 H 1 2.184 0.020 . 2 . . . . 65 PRO HB2 . 16897 1 752 . 1 1 65 65 PRO HB3 H 1 1.810 0.020 . 2 . . . . 65 PRO HB3 . 16897 1 753 . 1 1 65 65 PRO HD2 H 1 3.772 0.020 . 2 . . . . 65 PRO HD2 . 16897 1 754 . 1 1 65 65 PRO HD3 H 1 3.582 0.020 . 2 . . . . 65 PRO HD3 . 16897 1 755 . 1 1 65 65 PRO HG2 H 1 1.959 0.020 . 2 . . . . 65 PRO HG2 . 16897 1 756 . 1 1 65 65 PRO HG3 H 1 1.838 0.020 . 2 . . . . 65 PRO HG3 . 16897 1 757 . 1 1 65 65 PRO C C 13 175.861 0.400 . 1 . . . . 65 PRO C . 16897 1 758 . 1 1 65 65 PRO CA C 13 62.924 0.400 . 1 . . . . 65 PRO CA . 16897 1 759 . 1 1 65 65 PRO CB C 13 31.930 0.400 . 1 . . . . 65 PRO CB . 16897 1 760 . 1 1 65 65 PRO CD C 13 50.960 0.400 . 1 . . . . 65 PRO CD . 16897 1 761 . 1 1 65 65 PRO CG C 13 27.456 0.400 . 1 . . . . 65 PRO CG . 16897 1 762 . 1 1 66 66 PHE H H 1 8.203 0.020 . 1 . . . . 66 PHE H . 16897 1 763 . 1 1 66 66 PHE HA H 1 4.429 0.020 . 1 . . . . 66 PHE HA . 16897 1 764 . 1 1 66 66 PHE HB2 H 1 2.732 0.020 . 2 . . . . 66 PHE HB2 . 16897 1 765 . 1 1 66 66 PHE HB3 H 1 2.695 0.020 . 2 . . . . 66 PHE HB3 . 16897 1 766 . 1 1 66 66 PHE C C 13 175.136 0.400 . 1 . . . . 66 PHE C . 16897 1 767 . 1 1 66 66 PHE CA C 13 55.002 0.400 . 1 . . . . 66 PHE CA . 16897 1 768 . 1 1 66 66 PHE CB C 13 37.911 0.400 . 1 . . . . 66 PHE CB . 16897 1 769 . 1 1 66 66 PHE N N 15 125.605 0.400 . 1 . . . . 66 PHE N . 16897 1 770 . 1 1 67 67 GLY H H 1 7.353 0.020 . 1 . . . . 67 GLY H . 16897 1 771 . 1 1 67 67 GLY HA2 H 1 3.988 0.020 . 2 . . . . 67 GLY HA2 . 16897 1 772 . 1 1 67 67 GLY HA3 H 1 3.899 0.020 . 2 . . . . 67 GLY HA3 . 16897 1 773 . 1 1 67 67 GLY C C 13 174.219 0.400 . 1 . . . . 67 GLY C . 16897 1 774 . 1 1 67 67 GLY CA C 13 45.470 0.400 . 1 . . . . 67 GLY CA . 16897 1 775 . 1 1 67 67 GLY N N 15 107.038 0.400 . 1 . . . . 67 GLY N . 16897 1 776 . 1 1 68 68 SER H H 1 7.759 0.020 . 1 . . . . 68 SER H . 16897 1 777 . 1 1 68 68 SER HA H 1 4.425 0.020 . 1 . . . . 68 SER HA . 16897 1 778 . 1 1 68 68 SER HB2 H 1 4.052 0.020 . 2 . . . . 68 SER HB2 . 16897 1 779 . 1 1 68 68 SER HB3 H 1 3.800 0.020 . 2 . . . . 68 SER HB3 . 16897 1 780 . 1 1 68 68 SER CA C 13 57.581 0.400 . 1 . . . . 68 SER CA . 16897 1 781 . 1 1 68 68 SER CB C 13 64.698 0.400 . 1 . . . . 68 SER CB . 16897 1 782 . 1 1 68 68 SER N N 15 115.195 0.400 . 1 . . . . 68 SER N . 16897 1 783 . 1 1 69 69 GLU HA H 1 3.989 0.020 . 1 . . . . 69 GLU HA . 16897 1 784 . 1 1 69 69 GLU HB2 H 1 1.976 0.020 . 2 . . . . 69 GLU HB2 . 16897 1 785 . 1 1 69 69 GLU HB3 H 1 1.921 0.020 . 2 . . . . 69 GLU HB3 . 16897 1 786 . 1 1 69 69 GLU HG2 H 1 2.269 0.020 . 2 . . . . 69 GLU HG2 . 16897 1 787 . 1 1 69 69 GLU HG3 H 1 2.215 0.020 . 2 . . . . 69 GLU HG3 . 16897 1 788 . 1 1 69 69 GLU C C 13 178.325 0.400 . 1 . . . . 69 GLU C . 16897 1 789 . 1 1 69 69 GLU CA C 13 58.719 0.400 . 1 . . . . 69 GLU CA . 16897 1 790 . 1 1 69 69 GLU CB C 13 29.150 0.400 . 1 . . . . 69 GLU CB . 16897 1 791 . 1 1 69 69 GLU CG C 13 35.691 0.400 . 1 . . . . 69 GLU CG . 16897 1 792 . 1 1 70 70 GLU H H 1 8.461 0.020 . 1 . . . . 70 GLU H . 16897 1 793 . 1 1 70 70 GLU HA H 1 4.004 0.020 . 1 . . . . 70 GLU HA . 16897 1 794 . 1 1 70 70 GLU HB2 H 1 1.900 0.020 . 2 . . . . 70 GLU HB2 . 16897 1 795 . 1 1 70 70 GLU HB3 H 1 1.900 0.020 . 2 . . . . 70 GLU HB3 . 16897 1 796 . 1 1 70 70 GLU HG2 H 1 2.213 0.020 . 2 . . . . 70 GLU HG2 . 16897 1 797 . 1 1 70 70 GLU HG3 H 1 2.213 0.020 . 2 . . . . 70 GLU HG3 . 16897 1 798 . 1 1 70 70 GLU C C 13 177.360 0.400 . 1 . . . . 70 GLU C . 16897 1 799 . 1 1 70 70 GLU CA C 13 58.361 0.400 . 1 . . . . 70 GLU CA . 16897 1 800 . 1 1 70 70 GLU CB C 13 29.561 0.400 . 1 . . . . 70 GLU CB . 16897 1 801 . 1 1 70 70 GLU CG C 13 36.008 0.400 . 1 . . . . 70 GLU CG . 16897 1 802 . 1 1 70 70 GLU N N 15 119.326 0.400 . 1 . . . . 70 GLU N . 16897 1 803 . 1 1 71 71 SER H H 1 7.669 0.020 . 1 . . . . 71 SER H . 16897 1 804 . 1 1 71 71 SER HA H 1 4.675 0.020 . 1 . . . . 71 SER HA . 16897 1 805 . 1 1 71 71 SER HB2 H 1 3.444 0.020 . 2 . . . . 71 SER HB2 . 16897 1 806 . 1 1 71 71 SER HB3 H 1 3.347 0.020 . 2 . . . . 71 SER HB3 . 16897 1 807 . 1 1 71 71 SER CA C 13 59.689 0.400 . 1 . . . . 71 SER CA . 16897 1 808 . 1 1 71 71 SER CB C 13 63.357 0.400 . 1 . . . . 71 SER CB . 16897 1 809 . 1 1 71 71 SER N N 15 114.786 0.400 . 1 . . . . 71 SER N . 16897 1 810 . 1 1 72 72 LYS HA H 1 3.990 0.020 . 1 . . . . 72 LYS HA . 16897 1 811 . 1 1 72 72 LYS HB2 H 1 1.815 0.020 . 2 . . . . 72 LYS HB2 . 16897 1 812 . 1 1 72 72 LYS HB3 H 1 1.791 0.020 . 2 . . . . 72 LYS HB3 . 16897 1 813 . 1 1 72 72 LYS HD2 H 1 1.602 0.020 . 2 . . . . 72 LYS HD2 . 16897 1 814 . 1 1 72 72 LYS HD3 H 1 1.573 0.020 . 2 . . . . 72 LYS HD3 . 16897 1 815 . 1 1 72 72 LYS HE2 H 1 2.862 0.020 . 2 . . . . 72 LYS HE2 . 16897 1 816 . 1 1 72 72 LYS HE3 H 1 2.842 0.020 . 2 . . . . 72 LYS HE3 . 16897 1 817 . 1 1 72 72 LYS HG2 H 1 1.460 0.020 . 2 . . . . 72 LYS HG2 . 16897 1 818 . 1 1 72 72 LYS HG3 H 1 1.340 0.020 . 2 . . . . 72 LYS HG3 . 16897 1 819 . 1 1 72 72 LYS C C 13 178.714 0.400 . 1 . . . . 72 LYS C . 16897 1 820 . 1 1 72 72 LYS CA C 13 58.651 0.400 . 1 . . . . 72 LYS CA . 16897 1 821 . 1 1 72 72 LYS CB C 13 32.404 0.400 . 1 . . . . 72 LYS CB . 16897 1 822 . 1 1 72 72 LYS CD C 13 29.180 0.400 . 1 . . . . 72 LYS CD . 16897 1 823 . 1 1 72 72 LYS CG C 13 25.208 0.400 . 1 . . . . 72 LYS CG . 16897 1 824 . 1 1 73 73 VAL H H 1 7.437 0.020 . 1 . . . . 73 VAL H . 16897 1 825 . 1 1 73 73 VAL HA H 1 3.974 0.020 . 1 . . . . 73 VAL HA . 16897 1 826 . 1 1 73 73 VAL HB H 1 2.054 0.020 . 1 . . . . 73 VAL HB . 16897 1 827 . 1 1 73 73 VAL HG11 H 1 0.935 0.020 . 2 . . . . 73 VAL HG1 . 16897 1 828 . 1 1 73 73 VAL HG12 H 1 0.935 0.020 . 2 . . . . 73 VAL HG1 . 16897 1 829 . 1 1 73 73 VAL HG13 H 1 0.935 0.020 . 2 . . . . 73 VAL HG1 . 16897 1 830 . 1 1 73 73 VAL HG21 H 1 0.885 0.020 . 2 . . . . 73 VAL HG2 . 16897 1 831 . 1 1 73 73 VAL HG22 H 1 0.885 0.020 . 2 . . . . 73 VAL HG2 . 16897 1 832 . 1 1 73 73 VAL HG23 H 1 0.885 0.020 . 2 . . . . 73 VAL HG2 . 16897 1 833 . 1 1 73 73 VAL C C 13 177.092 0.400 . 1 . . . . 73 VAL C . 16897 1 834 . 1 1 73 73 VAL CA C 13 63.833 0.400 . 1 . . . . 73 VAL CA . 16897 1 835 . 1 1 73 73 VAL CB C 13 32.212 0.400 . 1 . . . . 73 VAL CB . 16897 1 836 . 1 1 73 73 VAL CG1 C 13 21.031 0.400 . 1 . . . . 73 VAL CG1 . 16897 1 837 . 1 1 73 73 VAL CG2 C 13 21.255 0.400 . 1 . . . . 73 VAL CG2 . 16897 1 838 . 1 1 73 73 VAL N N 15 116.537 0.400 . 1 . . . . 73 VAL N . 16897 1 839 . 1 1 74 74 LYS H H 1 7.703 0.020 . 1 . . . . 74 LYS H . 16897 1 840 . 1 1 74 74 LYS HA H 1 4.471 0.020 . 1 . . . . 74 LYS HA . 16897 1 841 . 1 1 74 74 LYS HB2 H 1 1.963 0.020 . 2 . . . . 74 LYS HB2 . 16897 1 842 . 1 1 74 74 LYS HB3 H 1 1.618 0.020 . 2 . . . . 74 LYS HB3 . 16897 1 843 . 1 1 74 74 LYS HD2 H 1 1.647 0.020 . 2 . . . . 74 LYS HD2 . 16897 1 844 . 1 1 74 74 LYS HD3 H 1 1.647 0.020 . 2 . . . . 74 LYS HD3 . 16897 1 845 . 1 1 74 74 LYS HE2 H 1 2.918 0.020 . 2 . . . . 74 LYS HE2 . 16897 1 846 . 1 1 74 74 LYS HE3 H 1 2.918 0.020 . 2 . . . . 74 LYS HE3 . 16897 1 847 . 1 1 74 74 LYS HG2 H 1 1.419 0.020 . 2 . . . . 74 LYS HG2 . 16897 1 848 . 1 1 74 74 LYS HG3 H 1 1.342 0.020 . 2 . . . . 74 LYS HG3 . 16897 1 849 . 1 1 74 74 LYS C C 13 177.302 0.400 . 1 . . . . 74 LYS C . 16897 1 850 . 1 1 74 74 LYS CA C 13 55.729 0.400 . 1 . . . . 74 LYS CA . 16897 1 851 . 1 1 74 74 LYS CB C 13 32.122 0.400 . 1 . . . . 74 LYS CB . 16897 1 852 . 1 1 74 74 LYS CD C 13 29.240 0.400 . 1 . . . . 74 LYS CD . 16897 1 853 . 1 1 74 74 LYS CG C 13 25.078 0.400 . 1 . . . . 74 LYS CG . 16897 1 854 . 1 1 74 74 LYS N N 15 121.723 0.400 . 1 . . . . 74 LYS N . 16897 1 855 . 1 1 75 75 MET H H 1 7.617 0.020 . 1 . . . . 75 MET H . 16897 1 856 . 1 1 75 75 MET HA H 1 4.210 0.020 . 1 . . . . 75 MET HA . 16897 1 857 . 1 1 75 75 MET HB2 H 1 2.106 0.020 . 2 . . . . 75 MET HB2 . 16897 1 858 . 1 1 75 75 MET HB3 H 1 1.900 0.020 . 2 . . . . 75 MET HB3 . 16897 1 859 . 1 1 75 75 MET HG2 H 1 2.456 0.020 . 2 . . . . 75 MET HG2 . 16897 1 860 . 1 1 75 75 MET HG3 H 1 2.312 0.020 . 2 . . . . 75 MET HG3 . 16897 1 861 . 1 1 75 75 MET C C 13 177.652 0.400 . 1 . . . . 75 MET C . 16897 1 862 . 1 1 75 75 MET CA C 13 58.482 0.400 . 1 . . . . 75 MET CA . 16897 1 863 . 1 1 75 75 MET CB C 13 31.989 0.400 . 1 . . . . 75 MET CB . 16897 1 864 . 1 1 75 75 MET CG C 13 31.867 0.400 . 1 . . . . 75 MET CG . 16897 1 865 . 1 1 75 75 MET N N 15 121.005 0.400 . 1 . . . . 75 MET N . 16897 1 866 . 1 1 76 76 ALA H H 1 8.342 0.020 . 1 . . . . 76 ALA H . 16897 1 867 . 1 1 76 76 ALA HA H 1 3.977 0.020 . 1 . . . . 76 ALA HA . 16897 1 868 . 1 1 76 76 ALA HB1 H 1 1.403 0.020 . 1 . . . . 76 ALA HB . 16897 1 869 . 1 1 76 76 ALA HB2 H 1 1.403 0.020 . 1 . . . . 76 ALA HB . 16897 1 870 . 1 1 76 76 ALA HB3 H 1 1.403 0.020 . 1 . . . . 76 ALA HB . 16897 1 871 . 1 1 76 76 ALA C C 13 180.729 0.400 . 1 . . . . 76 ALA C . 16897 1 872 . 1 1 76 76 ALA CA C 13 55.633 0.400 . 1 . . . . 76 ALA CA . 16897 1 873 . 1 1 76 76 ALA CB C 13 17.902 0.400 . 1 . . . . 76 ALA CB . 16897 1 874 . 1 1 76 76 ALA N N 15 119.808 0.400 . 1 . . . . 76 ALA N . 16897 1 875 . 1 1 77 77 ASP H H 1 7.794 0.020 . 1 . . . . 77 ASP H . 16897 1 876 . 1 1 77 77 ASP HA H 1 4.394 0.020 . 1 . . . . 77 ASP HA . 16897 1 877 . 1 1 77 77 ASP HB2 H 1 2.727 0.020 . 2 . . . . 77 ASP HB2 . 16897 1 878 . 1 1 77 77 ASP HB3 H 1 2.597 0.020 . 2 . . . . 77 ASP HB3 . 16897 1 879 . 1 1 77 77 ASP C C 13 178.576 0.400 . 1 . . . . 77 ASP C . 16897 1 880 . 1 1 77 77 ASP CA C 13 56.950 0.400 . 1 . . . . 77 ASP CA . 16897 1 881 . 1 1 77 77 ASP CB C 13 40.519 0.400 . 1 . . . . 77 ASP CB . 16897 1 882 . 1 1 77 77 ASP N N 15 118.305 0.400 . 1 . . . . 77 ASP N . 16897 1 883 . 1 1 78 78 PHE H H 1 8.092 0.020 . 1 . . . . 78 PHE H . 16897 1 884 . 1 1 78 78 PHE HA H 1 4.081 0.020 . 1 . . . . 78 PHE HA . 16897 1 885 . 1 1 78 78 PHE HB2 H 1 3.157 0.020 . 2 . . . . 78 PHE HB2 . 16897 1 886 . 1 1 78 78 PHE HB3 H 1 2.899 0.020 . 2 . . . . 78 PHE HB3 . 16897 1 887 . 1 1 78 78 PHE HD1 H 1 7.079 0.020 . 1 . . . . 78 PHE HD1 . 16897 1 888 . 1 1 78 78 PHE HD2 H 1 7.079 0.020 . 1 . . . . 78 PHE HD2 . 16897 1 889 . 1 1 78 78 PHE C C 13 178.053 0.400 . 1 . . . . 78 PHE C . 16897 1 890 . 1 1 78 78 PHE CA C 13 61.220 0.400 . 1 . . . . 78 PHE CA . 16897 1 891 . 1 1 78 78 PHE CB C 13 38.746 0.400 . 1 . . . . 78 PHE CB . 16897 1 892 . 1 1 78 78 PHE N N 15 121.993 0.400 . 1 . . . . 78 PHE N . 16897 1 893 . 1 1 79 79 ILE H H 1 8.729 0.020 . 1 . . . . 79 ILE H . 16897 1 894 . 1 1 79 79 ILE HA H 1 3.478 0.020 . 1 . . . . 79 ILE HA . 16897 1 895 . 1 1 79 79 ILE HB H 1 1.824 0.020 . 1 . . . . 79 ILE HB . 16897 1 896 . 1 1 79 79 ILE HD11 H 1 0.604 0.020 . 1 . . . . 79 ILE HD1 . 16897 1 897 . 1 1 79 79 ILE HD12 H 1 0.604 0.020 . 1 . . . . 79 ILE HD1 . 16897 1 898 . 1 1 79 79 ILE HD13 H 1 0.604 0.020 . 1 . . . . 79 ILE HD1 . 16897 1 899 . 1 1 79 79 ILE HG12 H 1 1.472 0.020 . 2 . . . . 79 ILE HG12 . 16897 1 900 . 1 1 79 79 ILE HG13 H 1 0.684 0.020 . 2 . . . . 79 ILE HG13 . 16897 1 901 . 1 1 79 79 ILE HG21 H 1 0.817 0.020 . 1 . . . . 79 ILE HG2 . 16897 1 902 . 1 1 79 79 ILE HG22 H 1 0.817 0.020 . 1 . . . . 79 ILE HG2 . 16897 1 903 . 1 1 79 79 ILE HG23 H 1 0.817 0.020 . 1 . . . . 79 ILE HG2 . 16897 1 904 . 1 1 79 79 ILE C C 13 177.027 0.400 . 1 . . . . 79 ILE C . 16897 1 905 . 1 1 79 79 ILE CA C 13 65.612 0.400 . 1 . . . . 79 ILE CA . 16897 1 906 . 1 1 79 79 ILE CB C 13 37.597 0.400 . 1 . . . . 79 ILE CB . 16897 1 907 . 1 1 79 79 ILE CD1 C 13 12.854 0.400 . 1 . . . . 79 ILE CD1 . 16897 1 908 . 1 1 79 79 ILE CG1 C 13 29.674 0.400 . 1 . . . . 79 ILE CG1 . 16897 1 909 . 1 1 79 79 ILE CG2 C 13 17.316 0.400 . 1 . . . . 79 ILE CG2 . 16897 1 910 . 1 1 79 79 ILE N N 15 120.975 0.400 . 1 . . . . 79 ILE N . 16897 1 911 . 1 1 80 80 ALA H H 1 7.638 0.020 . 1 . . . . 80 ALA H . 16897 1 912 . 1 1 80 80 ALA HA H 1 4.217 0.020 . 1 . . . . 80 ALA HA . 16897 1 913 . 1 1 80 80 ALA HB1 H 1 1.492 0.020 . 1 . . . . 80 ALA HB . 16897 1 914 . 1 1 80 80 ALA HB2 H 1 1.492 0.020 . 1 . . . . 80 ALA HB . 16897 1 915 . 1 1 80 80 ALA HB3 H 1 1.492 0.020 . 1 . . . . 80 ALA HB . 16897 1 916 . 1 1 80 80 ALA C C 13 180.639 0.400 . 1 . . . . 80 ALA C . 16897 1 917 . 1 1 80 80 ALA CA C 13 54.889 0.400 . 1 . . . . 80 ALA CA . 16897 1 918 . 1 1 80 80 ALA CB C 13 17.969 0.400 . 1 . . . . 80 ALA CB . 16897 1 919 . 1 1 80 80 ALA N N 15 119.975 0.400 . 1 . . . . 80 ALA N . 16897 1 920 . 1 1 81 81 ARG H H 1 7.614 0.020 . 1 . . . . 81 ARG H . 16897 1 921 . 1 1 81 81 ARG HA H 1 4.005 0.020 . 1 . . . . 81 ARG HA . 16897 1 922 . 1 1 81 81 ARG HB2 H 1 1.891 0.020 . 2 . . . . 81 ARG HB2 . 16897 1 923 . 1 1 81 81 ARG HB3 H 1 1.876 0.020 . 2 . . . . 81 ARG HB3 . 16897 1 924 . 1 1 81 81 ARG HD2 H 1 3.036 0.020 . 2 . . . . 81 ARG HD2 . 16897 1 925 . 1 1 81 81 ARG HD3 H 1 3.002 0.020 . 2 . . . . 81 ARG HD3 . 16897 1 926 . 1 1 81 81 ARG HG2 H 1 1.671 0.020 . 2 . . . . 81 ARG HG2 . 16897 1 927 . 1 1 81 81 ARG HG3 H 1 1.465 0.020 . 2 . . . . 81 ARG HG3 . 16897 1 928 . 1 1 81 81 ARG C C 13 178.780 0.400 . 1 . . . . 81 ARG C . 16897 1 929 . 1 1 81 81 ARG CA C 13 59.189 0.400 . 1 . . . . 81 ARG CA . 16897 1 930 . 1 1 81 81 ARG CB C 13 29.838 0.400 . 1 . . . . 81 ARG CB . 16897 1 931 . 1 1 81 81 ARG CG C 13 26.743 0.400 . 1 . . . . 81 ARG CG . 16897 1 932 . 1 1 81 81 ARG N N 15 116.689 0.400 . 1 . . . . 81 ARG N . 16897 1 933 . 1 1 82 82 GLU H H 1 8.083 0.020 . 1 . . . . 82 GLU H . 16897 1 934 . 1 1 82 82 GLU HA H 1 3.988 0.020 . 1 . . . . 82 GLU HA . 16897 1 935 . 1 1 82 82 GLU HB2 H 1 2.012 0.020 . 2 . . . . 82 GLU HB2 . 16897 1 936 . 1 1 82 82 GLU HB3 H 1 1.955 0.020 . 2 . . . . 82 GLU HB3 . 16897 1 937 . 1 1 82 82 GLU HG2 H 1 2.373 0.020 . 2 . . . . 82 GLU HG2 . 16897 1 938 . 1 1 82 82 GLU HG3 H 1 2.373 0.020 . 2 . . . . 82 GLU HG3 . 16897 1 939 . 1 1 82 82 GLU C C 13 179.690 0.400 . 1 . . . . 82 GLU C . 16897 1 940 . 1 1 82 82 GLU CA C 13 58.719 0.400 . 1 . . . . 82 GLU CA . 16897 1 941 . 1 1 82 82 GLU CB C 13 28.831 0.400 . 1 . . . . 82 GLU CB . 16897 1 942 . 1 1 82 82 GLU CG C 13 36.019 0.400 . 1 . . . . 82 GLU CG . 16897 1 943 . 1 1 82 82 GLU N N 15 119.577 0.400 . 1 . . . . 82 GLU N . 16897 1 944 . 1 1 83 83 GLU H H 1 8.472 0.020 . 1 . . . . 83 GLU H . 16897 1 945 . 1 1 83 83 GLU HA H 1 3.701 0.020 . 1 . . . . 83 GLU HA . 16897 1 946 . 1 1 83 83 GLU HB2 H 1 2.400 0.020 . 2 . . . . 83 GLU HB2 . 16897 1 947 . 1 1 83 83 GLU HB3 H 1 1.996 0.020 . 2 . . . . 83 GLU HB3 . 16897 1 948 . 1 1 83 83 GLU HG2 H 1 2.889 0.020 . 2 . . . . 83 GLU HG2 . 16897 1 949 . 1 1 83 83 GLU HG3 H 1 2.889 0.020 . 2 . . . . 83 GLU HG3 . 16897 1 950 . 1 1 83 83 GLU C C 13 178.879 0.400 . 1 . . . . 83 GLU C . 16897 1 951 . 1 1 83 83 GLU CA C 13 60.521 0.400 . 1 . . . . 83 GLU CA . 16897 1 952 . 1 1 83 83 GLU CB C 13 29.410 0.400 . 1 . . . . 83 GLU CB . 16897 1 953 . 1 1 83 83 GLU CG C 13 38.890 0.400 . 1 . . . . 83 GLU CG . 16897 1 954 . 1 1 83 83 GLU N N 15 119.285 0.400 . 1 . . . . 83 GLU N . 16897 1 955 . 1 1 84 84 ILE H H 1 7.509 0.020 . 1 . . . . 84 ILE H . 16897 1 956 . 1 1 84 84 ILE HA H 1 3.786 0.020 . 1 . . . . 84 ILE HA . 16897 1 957 . 1 1 84 84 ILE HB H 1 1.992 0.020 . 1 . . . . 84 ILE HB . 16897 1 958 . 1 1 84 84 ILE HD11 H 1 0.851 0.020 . 1 . . . . 84 ILE HD1 . 16897 1 959 . 1 1 84 84 ILE HD12 H 1 0.851 0.020 . 1 . . . . 84 ILE HD1 . 16897 1 960 . 1 1 84 84 ILE HD13 H 1 0.851 0.020 . 1 . . . . 84 ILE HD1 . 16897 1 961 . 1 1 84 84 ILE HG12 H 1 1.734 0.020 . 2 . . . . 84 ILE HG12 . 16897 1 962 . 1 1 84 84 ILE HG13 H 1 1.251 0.020 . 2 . . . . 84 ILE HG13 . 16897 1 963 . 1 1 84 84 ILE HG21 H 1 0.902 0.020 . 1 . . . . 84 ILE HG2 . 16897 1 964 . 1 1 84 84 ILE HG22 H 1 0.902 0.020 . 1 . . . . 84 ILE HG2 . 16897 1 965 . 1 1 84 84 ILE HG23 H 1 0.902 0.020 . 1 . . . . 84 ILE HG2 . 16897 1 966 . 1 1 84 84 ILE C C 13 178.188 0.400 . 1 . . . . 84 ILE C . 16897 1 967 . 1 1 84 84 ILE CA C 13 64.605 0.400 . 1 . . . . 84 ILE CA . 16897 1 968 . 1 1 84 84 ILE CB C 13 37.761 0.400 . 1 . . . . 84 ILE CB . 16897 1 969 . 1 1 84 84 ILE CD1 C 13 12.699 0.400 . 1 . . . . 84 ILE CD1 . 16897 1 970 . 1 1 84 84 ILE CG1 C 13 29.243 0.400 . 1 . . . . 84 ILE CG1 . 16897 1 971 . 1 1 84 84 ILE CG2 C 13 17.352 0.400 . 1 . . . . 84 ILE CG2 . 16897 1 972 . 1 1 84 84 ILE N N 15 119.179 0.400 . 1 . . . . 84 ILE N . 16897 1 973 . 1 1 85 85 GLU H H 1 8.234 0.020 . 1 . . . . 85 GLU H . 16897 1 974 . 1 1 85 85 GLU HA H 1 3.956 0.020 . 1 . . . . 85 GLU HA . 16897 1 975 . 1 1 85 85 GLU HB2 H 1 1.987 0.020 . 2 . . . . 85 GLU HB2 . 16897 1 976 . 1 1 85 85 GLU HB3 H 1 1.987 0.020 . 2 . . . . 85 GLU HB3 . 16897 1 977 . 1 1 85 85 GLU HG2 H 1 2.264 0.020 . 2 . . . . 85 GLU HG2 . 16897 1 978 . 1 1 85 85 GLU HG3 H 1 2.264 0.020 . 2 . . . . 85 GLU HG3 . 16897 1 979 . 1 1 85 85 GLU C C 13 180.259 0.400 . 1 . . . . 85 GLU C . 16897 1 980 . 1 1 85 85 GLU CA C 13 59.459 0.400 . 1 . . . . 85 GLU CA . 16897 1 981 . 1 1 85 85 GLU CB C 13 28.889 0.400 . 1 . . . . 85 GLU CB . 16897 1 982 . 1 1 85 85 GLU CG C 13 36.881 0.400 . 1 . . . . 85 GLU CG . 16897 1 983 . 1 1 85 85 GLU N N 15 119.368 0.400 . 1 . . . . 85 GLU N . 16897 1 984 . 1 1 86 86 MET H H 1 8.385 0.020 . 1 . . . . 86 MET H . 16897 1 985 . 1 1 86 86 MET HA H 1 4.501 0.020 . 1 . . . . 86 MET HA . 16897 1 986 . 1 1 86 86 MET HB2 H 1 1.856 0.020 . 2 . . . . 86 MET HB2 . 16897 1 987 . 1 1 86 86 MET HB3 H 1 1.817 0.020 . 2 . . . . 86 MET HB3 . 16897 1 988 . 1 1 86 86 MET HE1 H 1 1.389 0.020 . 1 . . . . 86 MET HE . 16897 1 989 . 1 1 86 86 MET HE2 H 1 1.389 0.020 . 1 . . . . 86 MET HE . 16897 1 990 . 1 1 86 86 MET HE3 H 1 1.389 0.020 . 1 . . . . 86 MET HE . 16897 1 991 . 1 1 86 86 MET HG2 H 1 2.069 0.020 . 2 . . . . 86 MET HG2 . 16897 1 992 . 1 1 86 86 MET HG3 H 1 2.069 0.020 . 2 . . . . 86 MET HG3 . 16897 1 993 . 1 1 86 86 MET C C 13 177.693 0.400 . 1 . . . . 86 MET C . 16897 1 994 . 1 1 86 86 MET CA C 13 56.612 0.400 . 1 . . . . 86 MET CA . 16897 1 995 . 1 1 86 86 MET CB C 13 30.489 0.400 . 1 . . . . 86 MET CB . 16897 1 996 . 1 1 86 86 MET CE C 13 16.040 0.400 . 1 . . . . 86 MET CE . 16897 1 997 . 1 1 86 86 MET N N 15 119.418 0.400 . 1 . . . . 86 MET N . 16897 1 998 . 1 1 87 87 MET H H 1 8.085 0.020 . 1 . . . . 87 MET H . 16897 1 999 . 1 1 87 87 MET HA H 1 3.757 0.020 . 1 . . . . 87 MET HA . 16897 1 1000 . 1 1 87 87 MET HB2 H 1 2.588 0.020 . 2 . . . . 87 MET HB2 . 16897 1 1001 . 1 1 87 87 MET HB3 H 1 2.336 0.020 . 2 . . . . 87 MET HB3 . 16897 1 1002 . 1 1 87 87 MET HG2 H 1 2.316 0.020 . 2 . . . . 87 MET HG2 . 16897 1 1003 . 1 1 87 87 MET HG3 H 1 2.169 0.020 . 2 . . . . 87 MET HG3 . 16897 1 1004 . 1 1 87 87 MET C C 13 178.713 0.400 . 1 . . . . 87 MET C . 16897 1 1005 . 1 1 87 87 MET CA C 13 60.311 0.400 . 1 . . . . 87 MET CA . 16897 1 1006 . 1 1 87 87 MET CB C 13 31.951 0.400 . 1 . . . . 87 MET CB . 16897 1 1007 . 1 1 87 87 MET CG C 13 32.280 0.400 . 1 . . . . 87 MET CG . 16897 1 1008 . 1 1 87 87 MET N N 15 121.324 0.400 . 1 . . . . 87 MET N . 16897 1 1009 . 1 1 88 88 VAL H H 1 8.292 0.020 . 1 . . . . 88 VAL H . 16897 1 1010 . 1 1 88 88 VAL HA H 1 3.534 0.020 . 1 . . . . 88 VAL HA . 16897 1 1011 . 1 1 88 88 VAL HB H 1 2.171 0.020 . 1 . . . . 88 VAL HB . 16897 1 1012 . 1 1 88 88 VAL HG11 H 1 1.032 0.020 . 2 . . . . 88 VAL HG1 . 16897 1 1013 . 1 1 88 88 VAL HG12 H 1 1.032 0.020 . 2 . . . . 88 VAL HG1 . 16897 1 1014 . 1 1 88 88 VAL HG13 H 1 1.032 0.020 . 2 . . . . 88 VAL HG1 . 16897 1 1015 . 1 1 88 88 VAL HG21 H 1 0.927 0.020 . 2 . . . . 88 VAL HG2 . 16897 1 1016 . 1 1 88 88 VAL HG22 H 1 0.927 0.020 . 2 . . . . 88 VAL HG2 . 16897 1 1017 . 1 1 88 88 VAL HG23 H 1 0.927 0.020 . 2 . . . . 88 VAL HG2 . 16897 1 1018 . 1 1 88 88 VAL C C 13 178.999 0.400 . 1 . . . . 88 VAL C . 16897 1 1019 . 1 1 88 88 VAL CA C 13 66.814 0.400 . 1 . . . . 88 VAL CA . 16897 1 1020 . 1 1 88 88 VAL CB C 13 31.828 0.400 . 1 . . . . 88 VAL CB . 16897 1 1021 . 1 1 88 88 VAL CG1 C 13 22.541 0.400 . 1 . . . . 88 VAL CG1 . 16897 1 1022 . 1 1 88 88 VAL CG2 C 13 21.105 0.400 . 1 . . . . 88 VAL CG2 . 16897 1 1023 . 1 1 88 88 VAL N N 15 121.596 0.400 . 1 . . . . 88 VAL N . 16897 1 1024 . 1 1 89 89 PHE H H 1 8.241 0.020 . 1 . . . . 89 PHE H . 16897 1 1025 . 1 1 89 89 PHE HA H 1 4.318 0.020 . 1 . . . . 89 PHE HA . 16897 1 1026 . 1 1 89 89 PHE HB2 H 1 3.337 0.020 . 2 . . . . 89 PHE HB2 . 16897 1 1027 . 1 1 89 89 PHE HB3 H 1 3.140 0.020 . 2 . . . . 89 PHE HB3 . 16897 1 1028 . 1 1 89 89 PHE HD1 H 1 7.144 0.020 . 1 . . . . 89 PHE HD1 . 16897 1 1029 . 1 1 89 89 PHE HD2 H 1 7.144 0.020 . 1 . . . . 89 PHE HD2 . 16897 1 1030 . 1 1 89 89 PHE C C 13 178.302 0.400 . 1 . . . . 89 PHE C . 16897 1 1031 . 1 1 89 89 PHE CA C 13 60.898 0.400 . 1 . . . . 89 PHE CA . 16897 1 1032 . 1 1 89 89 PHE CB C 13 38.904 0.400 . 1 . . . . 89 PHE CB . 16897 1 1033 . 1 1 89 89 PHE N N 15 121.992 0.400 . 1 . . . . 89 PHE N . 16897 1 1034 . 1 1 90 90 LEU H H 1 8.983 0.020 . 1 . . . . 90 LEU H . 16897 1 1035 . 1 1 90 90 LEU HA H 1 3.464 0.020 . 1 . . . . 90 LEU HA . 16897 1 1036 . 1 1 90 90 LEU HB2 H 1 1.749 0.020 . 2 . . . . 90 LEU HB2 . 16897 1 1037 . 1 1 90 90 LEU HB3 H 1 0.976 0.020 . 2 . . . . 90 LEU HB3 . 16897 1 1038 . 1 1 90 90 LEU HD11 H 1 0.714 0.020 . 2 . . . . 90 LEU HD1 . 16897 1 1039 . 1 1 90 90 LEU HD12 H 1 0.714 0.020 . 2 . . . . 90 LEU HD1 . 16897 1 1040 . 1 1 90 90 LEU HD13 H 1 0.714 0.020 . 2 . . . . 90 LEU HD1 . 16897 1 1041 . 1 1 90 90 LEU HD21 H 1 0.638 0.020 . 2 . . . . 90 LEU HD2 . 16897 1 1042 . 1 1 90 90 LEU HD22 H 1 0.638 0.020 . 2 . . . . 90 LEU HD2 . 16897 1 1043 . 1 1 90 90 LEU HD23 H 1 0.638 0.020 . 2 . . . . 90 LEU HD2 . 16897 1 1044 . 1 1 90 90 LEU HG H 1 2.058 0.020 . 1 . . . . 90 LEU HG . 16897 1 1045 . 1 1 90 90 LEU C C 13 178.653 0.400 . 1 . . . . 90 LEU C . 16897 1 1046 . 1 1 90 90 LEU CA C 13 57.503 0.400 . 1 . . . . 90 LEU CA . 16897 1 1047 . 1 1 90 90 LEU CB C 13 41.493 0.400 . 1 . . . . 90 LEU CB . 16897 1 1048 . 1 1 90 90 LEU CD1 C 13 22.950 0.400 . 1 . . . . 90 LEU CD1 . 16897 1 1049 . 1 1 90 90 LEU CD2 C 13 27.638 0.400 . 1 . . . . 90 LEU CD2 . 16897 1 1050 . 1 1 90 90 LEU CG C 13 26.289 0.400 . 1 . . . . 90 LEU CG . 16897 1 1051 . 1 1 90 90 LEU N N 15 119.162 0.400 . 1 . . . . 90 LEU N . 16897 1 1052 . 1 1 91 91 SER H H 1 7.954 0.020 . 1 . . . . 91 SER H . 16897 1 1053 . 1 1 91 91 SER HA H 1 3.879 0.020 . 1 . . . . 91 SER HA . 16897 1 1054 . 1 1 91 91 SER HB2 H 1 4.007 0.020 . 2 . . . . 91 SER HB2 . 16897 1 1055 . 1 1 91 91 SER HB3 H 1 4.007 0.020 . 2 . . . . 91 SER HB3 . 16897 1 1056 . 1 1 91 91 SER C C 13 175.973 0.400 . 1 . . . . 91 SER C . 16897 1 1057 . 1 1 91 91 SER CA C 13 62.717 0.400 . 1 . . . . 91 SER CA . 16897 1 1058 . 1 1 91 91 SER CB C 13 62.899 0.400 . 1 . . . . 91 SER CB . 16897 1 1059 . 1 1 91 91 SER N N 15 112.508 0.400 . 1 . . . . 91 SER N . 16897 1 1060 . 1 1 92 92 SER H H 1 7.626 0.020 . 1 . . . . 92 SER H . 16897 1 1061 . 1 1 92 92 SER HA H 1 4.220 0.020 . 1 . . . . 92 SER HA . 16897 1 1062 . 1 1 92 92 SER HB2 H 1 3.938 0.020 . 2 . . . . 92 SER HB2 . 16897 1 1063 . 1 1 92 92 SER HB3 H 1 3.924 0.020 . 2 . . . . 92 SER HB3 . 16897 1 1064 . 1 1 92 92 SER C C 13 176.501 0.400 . 1 . . . . 92 SER C . 16897 1 1065 . 1 1 92 92 SER CA C 13 61.199 0.400 . 1 . . . . 92 SER CA . 16897 1 1066 . 1 1 92 92 SER CB C 13 62.873 0.400 . 1 . . . . 92 SER CB . 16897 1 1067 . 1 1 92 92 SER N N 15 116.736 0.400 . 1 . . . . 92 SER N . 16897 1 1068 . 1 1 93 93 VAL H H 1 7.421 0.020 . 1 . . . . 93 VAL H . 16897 1 1069 . 1 1 93 93 VAL HA H 1 3.565 0.020 . 1 . . . . 93 VAL HA . 16897 1 1070 . 1 1 93 93 VAL HB H 1 1.798 0.020 . 1 . . . . 93 VAL HB . 16897 1 1071 . 1 1 93 93 VAL HG11 H 1 0.599 0.020 . 2 . . . . 93 VAL HG1 . 16897 1 1072 . 1 1 93 93 VAL HG12 H 1 0.599 0.020 . 2 . . . . 93 VAL HG1 . 16897 1 1073 . 1 1 93 93 VAL HG13 H 1 0.599 0.020 . 2 . . . . 93 VAL HG1 . 16897 1 1074 . 1 1 93 93 VAL HG21 H 1 0.375 0.020 . 2 . . . . 93 VAL HG2 . 16897 1 1075 . 1 1 93 93 VAL HG22 H 1 0.375 0.020 . 2 . . . . 93 VAL HG2 . 16897 1 1076 . 1 1 93 93 VAL HG23 H 1 0.375 0.020 . 2 . . . . 93 VAL HG2 . 16897 1 1077 . 1 1 93 93 VAL C C 13 177.371 0.400 . 1 . . . . 93 VAL C . 16897 1 1078 . 1 1 93 93 VAL CA C 13 65.000 0.400 . 1 . . . . 93 VAL CA . 16897 1 1079 . 1 1 93 93 VAL CB C 13 31.459 0.400 . 1 . . . . 93 VAL CB . 16897 1 1080 . 1 1 93 93 VAL CG1 C 13 22.553 0.400 . 1 . . . . 93 VAL CG1 . 16897 1 1081 . 1 1 93 93 VAL CG2 C 13 22.308 0.400 . 1 . . . . 93 VAL CG2 . 16897 1 1082 . 1 1 93 93 VAL N N 15 122.690 0.400 . 1 . . . . 93 VAL N . 16897 1 1083 . 1 1 94 94 LEU H H 1 7.217 0.020 . 1 . . . . 94 LEU H . 16897 1 1084 . 1 1 94 94 LEU HA H 1 3.795 0.020 . 1 . . . . 94 LEU HA . 16897 1 1085 . 1 1 94 94 LEU HB2 H 1 1.629 0.020 . 2 . . . . 94 LEU HB2 . 16897 1 1086 . 1 1 94 94 LEU HB3 H 1 1.224 0.020 . 2 . . . . 94 LEU HB3 . 16897 1 1087 . 1 1 94 94 LEU HD11 H 1 0.661 0.020 . 2 . . . . 94 LEU HD1 . 16897 1 1088 . 1 1 94 94 LEU HD12 H 1 0.661 0.020 . 2 . . . . 94 LEU HD1 . 16897 1 1089 . 1 1 94 94 LEU HD13 H 1 0.661 0.020 . 2 . . . . 94 LEU HD1 . 16897 1 1090 . 1 1 94 94 LEU HD21 H 1 0.557 0.020 . 2 . . . . 94 LEU HD2 . 16897 1 1091 . 1 1 94 94 LEU HD22 H 1 0.557 0.020 . 2 . . . . 94 LEU HD2 . 16897 1 1092 . 1 1 94 94 LEU HD23 H 1 0.557 0.020 . 2 . . . . 94 LEU HD2 . 16897 1 1093 . 1 1 94 94 LEU HG H 1 1.570 0.020 . 1 . . . . 94 LEU HG . 16897 1 1094 . 1 1 94 94 LEU C C 13 176.571 0.400 . 1 . . . . 94 LEU C . 16897 1 1095 . 1 1 94 94 LEU CA C 13 55.749 0.400 . 1 . . . . 94 LEU CA . 16897 1 1096 . 1 1 94 94 LEU CB C 13 42.831 0.400 . 1 . . . . 94 LEU CB . 16897 1 1097 . 1 1 94 94 LEU CD1 C 13 23.164 0.400 . 1 . . . . 94 LEU CD1 . 16897 1 1098 . 1 1 94 94 LEU CD2 C 13 25.693 0.400 . 1 . . . . 94 LEU CD2 . 16897 1 1099 . 1 1 94 94 LEU CG C 13 26.500 0.400 . 1 . . . . 94 LEU CG . 16897 1 1100 . 1 1 94 94 LEU N N 15 117.480 0.400 . 1 . . . . 94 LEU N . 16897 1 1101 . 1 1 95 95 GLU H H 1 7.197 0.020 . 1 . . . . 95 GLU H . 16897 1 1102 . 1 1 95 95 GLU HA H 1 4.094 0.020 . 1 . . . . 95 GLU HA . 16897 1 1103 . 1 1 95 95 GLU HB2 H 1 2.008 0.020 . 2 . . . . 95 GLU HB2 . 16897 1 1104 . 1 1 95 95 GLU HB3 H 1 1.977 0.020 . 2 . . . . 95 GLU HB3 . 16897 1 1105 . 1 1 95 95 GLU HG2 H 1 2.441 0.020 . 2 . . . . 95 GLU HG2 . 16897 1 1106 . 1 1 95 95 GLU HG3 H 1 2.242 0.020 . 2 . . . . 95 GLU HG3 . 16897 1 1107 . 1 1 95 95 GLU C C 13 175.634 0.400 . 1 . . . . 95 GLU C . 16897 1 1108 . 1 1 95 95 GLU CA C 13 57.381 0.400 . 1 . . . . 95 GLU CA . 16897 1 1109 . 1 1 95 95 GLU CB C 13 30.474 0.400 . 1 . . . . 95 GLU CB . 16897 1 1110 . 1 1 95 95 GLU CG C 13 36.620 0.400 . 1 . . . . 95 GLU CG . 16897 1 1111 . 1 1 95 95 GLU N N 15 119.383 0.400 . 1 . . . . 95 GLU N . 16897 1 1112 . 1 1 96 96 ASP H H 1 7.830 0.020 . 1 . . . . 96 ASP H . 16897 1 1113 . 1 1 96 96 ASP HA H 1 4.371 0.020 . 1 . . . . 96 ASP HA . 16897 1 1114 . 1 1 96 96 ASP HB2 H 1 2.658 0.020 . 2 . . . . 96 ASP HB2 . 16897 1 1115 . 1 1 96 96 ASP HB3 H 1 2.474 0.020 . 2 . . . . 96 ASP HB3 . 16897 1 1116 . 1 1 96 96 ASP CA C 13 56.182 0.400 . 1 . . . . 96 ASP CA . 16897 1 1117 . 1 1 96 96 ASP CB C 13 42.370 0.400 . 1 . . . . 96 ASP CB . 16897 1 1118 . 1 1 96 96 ASP N N 15 126.280 0.400 . 1 . . . . 96 ASP N . 16897 1 stop_ save_