data_17090 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17090 _Entry.Title ; Solution NMR structure of the protein YP_399305.1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-07-30 _Entry.Accession_date 2010-07-30 _Entry.Last_release_date 2010-08-18 _Entry.Original_release_date 2010-08-18 _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 'SOLUTION NMR' _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 Biswaranjan Mohanty . . . 17090 2 Pedro Serrano . . . 17090 3 Michael Geralt . . . 17090 4 Reto Horst . . . 17090 5 Kurt Wuthrich . . . 17090 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' 'Joint Center for Structural Genomics' . 17090 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Cyanobacteria . 17090 'Hypothetical protein' . 17090 PE00042D . 17090 'Synechococcus elongatus PCC 7942' . 17090 YP_399305.1 . 17090 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17090 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 513 17090 '15N chemical shifts' 130 17090 '1H chemical shifts' 886 17090 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 . . 2010-08-18 2010-07-30 original author . 17090 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2L1N 'BMRB Entry Tracking System' 17090 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17090 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution NMR structure of the protein YP_399305.1' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Biswaranjan Mohanty . . . 17090 1 2 Pedro Serrano . . . 17090 1 3 Michael Geralt . . . 17090 1 4 Reto Horst . . . 17090 1 5 Kurt Wuthrich . . . 17090 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17090 _Assembly.ID 1 _Assembly.Name YP_399305.1 _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 YP_399305.1 1 $YP_399305.1 A . yes native no no . . . 17090 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_YP_399305.1 _Entity.Sf_category entity _Entity.Sf_framecode YP_399305.1 _Entity.Entry_ID 17090 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; MGITITDELLWAILKDELSD AEANALVWQALGYVWDEAQS CWKTDLVAPEWRQDYPEPPD FIASRPATVKLTRSIPAPYK QLLKEELGFAGYSINELVPR KTRRATMTNWLLAYRRSQQD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 120 _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 13856.833 _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 2L1N . "Solution Nmr Structure Of The Protein Yp_399305.1" . . . . . 100.00 120 100.00 100.00 1.04e-80 . . . . 17090 1 2 no DBJ BAD79416 . "hypothetical protein [Synechococcus elongatus PCC 6301]" . . . . . 100.00 120 100.00 100.00 1.04e-80 . . . . 17090 1 3 no GB ABB56318 . "conserved hypothetical protein [Synechococcus elongatus PCC 7942]" . . . . . 100.00 120 100.00 100.00 1.04e-80 . . . . 17090 1 4 no GB AJD56633 . "hypothetical protein M744_01590 [Synechococcus sp. UTEX 2973]" . . . . . 100.00 122 100.00 100.00 9.17e-81 . . . . 17090 1 5 no REF WP_011243538 . "MULTISPECIES: hypothetical protein [Synechococcus]" . . . . . 100.00 120 100.00 100.00 1.04e-80 . . . . 17090 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 . 17090 1 2 . GLY . 17090 1 3 . ILE . 17090 1 4 . THR . 17090 1 5 . ILE . 17090 1 6 . THR . 17090 1 7 . ASP . 17090 1 8 . GLU . 17090 1 9 . LEU . 17090 1 10 . LEU . 17090 1 11 . TRP . 17090 1 12 . ALA . 17090 1 13 . ILE . 17090 1 14 . LEU . 17090 1 15 . LYS . 17090 1 16 . ASP . 17090 1 17 . GLU . 17090 1 18 . LEU . 17090 1 19 . SER . 17090 1 20 . ASP . 17090 1 21 . ALA . 17090 1 22 . GLU . 17090 1 23 . ALA . 17090 1 24 . ASN . 17090 1 25 . ALA . 17090 1 26 . LEU . 17090 1 27 . VAL . 17090 1 28 . TRP . 17090 1 29 . GLN . 17090 1 30 . ALA . 17090 1 31 . LEU . 17090 1 32 . GLY . 17090 1 33 . TYR . 17090 1 34 . VAL . 17090 1 35 . TRP . 17090 1 36 . ASP . 17090 1 37 . GLU . 17090 1 38 . ALA . 17090 1 39 . GLN . 17090 1 40 . SER . 17090 1 41 . CYS . 17090 1 42 . TRP . 17090 1 43 . LYS . 17090 1 44 . THR . 17090 1 45 . ASP . 17090 1 46 . LEU . 17090 1 47 . VAL . 17090 1 48 . ALA . 17090 1 49 . PRO . 17090 1 50 . GLU . 17090 1 51 . TRP . 17090 1 52 . ARG . 17090 1 53 . GLN . 17090 1 54 . ASP . 17090 1 55 . TYR . 17090 1 56 . PRO . 17090 1 57 . GLU . 17090 1 58 . PRO . 17090 1 59 . PRO . 17090 1 60 . ASP . 17090 1 61 . PHE . 17090 1 62 . ILE . 17090 1 63 . ALA . 17090 1 64 . SER . 17090 1 65 . ARG . 17090 1 66 . PRO . 17090 1 67 . ALA . 17090 1 68 . THR . 17090 1 69 . VAL . 17090 1 70 . LYS . 17090 1 71 . LEU . 17090 1 72 . THR . 17090 1 73 . ARG . 17090 1 74 . SER . 17090 1 75 . ILE . 17090 1 76 . PRO . 17090 1 77 . ALA . 17090 1 78 . PRO . 17090 1 79 . TYR . 17090 1 80 . LYS . 17090 1 81 . GLN . 17090 1 82 . LEU . 17090 1 83 . LEU . 17090 1 84 . LYS . 17090 1 85 . GLU . 17090 1 86 . GLU . 17090 1 87 . LEU . 17090 1 88 . GLY . 17090 1 89 . PHE . 17090 1 90 . ALA . 17090 1 91 . GLY . 17090 1 92 . TYR . 17090 1 93 . SER . 17090 1 94 . ILE . 17090 1 95 . ASN . 17090 1 96 . GLU . 17090 1 97 . LEU . 17090 1 98 . VAL . 17090 1 99 . PRO . 17090 1 100 . ARG . 17090 1 101 . LYS . 17090 1 102 . THR . 17090 1 103 . ARG . 17090 1 104 . ARG . 17090 1 105 . ALA . 17090 1 106 . THR . 17090 1 107 . MET . 17090 1 108 . THR . 17090 1 109 . ASN . 17090 1 110 . TRP . 17090 1 111 . LEU . 17090 1 112 . LEU . 17090 1 113 . ALA . 17090 1 114 . TYR . 17090 1 115 . ARG . 17090 1 116 . ARG . 17090 1 117 . SER . 17090 1 118 . GLN . 17090 1 119 . GLN . 17090 1 120 . ASP . 17090 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 17090 1 . GLY 2 2 17090 1 . ILE 3 3 17090 1 . THR 4 4 17090 1 . ILE 5 5 17090 1 . THR 6 6 17090 1 . ASP 7 7 17090 1 . GLU 8 8 17090 1 . LEU 9 9 17090 1 . LEU 10 10 17090 1 . TRP 11 11 17090 1 . ALA 12 12 17090 1 . ILE 13 13 17090 1 . LEU 14 14 17090 1 . LYS 15 15 17090 1 . ASP 16 16 17090 1 . GLU 17 17 17090 1 . LEU 18 18 17090 1 . SER 19 19 17090 1 . ASP 20 20 17090 1 . ALA 21 21 17090 1 . GLU 22 22 17090 1 . ALA 23 23 17090 1 . ASN 24 24 17090 1 . ALA 25 25 17090 1 . LEU 26 26 17090 1 . VAL 27 27 17090 1 . TRP 28 28 17090 1 . GLN 29 29 17090 1 . ALA 30 30 17090 1 . LEU 31 31 17090 1 . GLY 32 32 17090 1 . TYR 33 33 17090 1 . VAL 34 34 17090 1 . TRP 35 35 17090 1 . ASP 36 36 17090 1 . GLU 37 37 17090 1 . ALA 38 38 17090 1 . GLN 39 39 17090 1 . SER 40 40 17090 1 . CYS 41 41 17090 1 . TRP 42 42 17090 1 . LYS 43 43 17090 1 . THR 44 44 17090 1 . ASP 45 45 17090 1 . LEU 46 46 17090 1 . VAL 47 47 17090 1 . ALA 48 48 17090 1 . PRO 49 49 17090 1 . GLU 50 50 17090 1 . TRP 51 51 17090 1 . ARG 52 52 17090 1 . GLN 53 53 17090 1 . ASP 54 54 17090 1 . TYR 55 55 17090 1 . PRO 56 56 17090 1 . GLU 57 57 17090 1 . PRO 58 58 17090 1 . PRO 59 59 17090 1 . ASP 60 60 17090 1 . PHE 61 61 17090 1 . ILE 62 62 17090 1 . ALA 63 63 17090 1 . SER 64 64 17090 1 . ARG 65 65 17090 1 . PRO 66 66 17090 1 . ALA 67 67 17090 1 . THR 68 68 17090 1 . VAL 69 69 17090 1 . LYS 70 70 17090 1 . LEU 71 71 17090 1 . THR 72 72 17090 1 . ARG 73 73 17090 1 . SER 74 74 17090 1 . ILE 75 75 17090 1 . PRO 76 76 17090 1 . ALA 77 77 17090 1 . PRO 78 78 17090 1 . TYR 79 79 17090 1 . LYS 80 80 17090 1 . GLN 81 81 17090 1 . LEU 82 82 17090 1 . LEU 83 83 17090 1 . LYS 84 84 17090 1 . GLU 85 85 17090 1 . GLU 86 86 17090 1 . LEU 87 87 17090 1 . GLY 88 88 17090 1 . PHE 89 89 17090 1 . ALA 90 90 17090 1 . GLY 91 91 17090 1 . TYR 92 92 17090 1 . SER 93 93 17090 1 . ILE 94 94 17090 1 . ASN 95 95 17090 1 . GLU 96 96 17090 1 . LEU 97 97 17090 1 . VAL 98 98 17090 1 . PRO 99 99 17090 1 . ARG 100 100 17090 1 . LYS 101 101 17090 1 . THR 102 102 17090 1 . ARG 103 103 17090 1 . ARG 104 104 17090 1 . ALA 105 105 17090 1 . THR 106 106 17090 1 . MET 107 107 17090 1 . THR 108 108 17090 1 . ASN 109 109 17090 1 . TRP 110 110 17090 1 . LEU 111 111 17090 1 . LEU 112 112 17090 1 . ALA 113 113 17090 1 . TYR 114 114 17090 1 . ARG 115 115 17090 1 . ARG 116 116 17090 1 . SER 117 117 17090 1 . GLN 118 118 17090 1 . GLN 119 119 17090 1 . ASP 120 120 17090 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 17090 _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 $YP_399305.1 . 32046 organism . 'Synechococcus elongatus' cyanobacteria . . Bacteria . Synechococcus elongatus . . . . . . . . . . . . . . . . YP_399305.1 . . . . 17090 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 17090 _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 $YP_399305.1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pSpeedET . . . . . . 17090 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17090 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.1 mM [U-98% 13C; U-98% 15N] YP_399305.1, 50 mM sodium chloride, 20 mM sodium phosphate, 4.5 mM sodium azide' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 YP_399305.1 '[U-98% 13C; U-98% 15N]' . . 1 $YP_399305.1 . . 1.1 . . mM . . . . 17090 1 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17090 1 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17090 1 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17090 1 5 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17090 1 6 'sodium azide' 'natural abundance' . . . . . . 4.5 . . mM . . . . 17090 1 7 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17090 1 8 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17090 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17090 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.113 . M 17090 1 pH 6.0 . pH 17090 1 pressure 1 . atm 17090 1 temperature 298 . K 17090 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17090 _Software.ID 1 _Software.Name CYANA _Software.Version CYANA3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17090 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17090 1 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 17090 _Software.ID 2 _Software.Name Molmol _Software.Version 2K.1 _Software.Details 'Analysis and display of molecules' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 17090 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Analysis and display of molecules' 17090 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 17090 _Software.ID 3 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 17090 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17090 3 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17090 _Software.ID 4 _Software.Name TOPSPIN _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17090 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17090 4 processing 17090 4 stop_ save_ save_OPAL _Software.Sf_category software _Software.Sf_framecode OPAL _Software.Entry_ID 17090 _Software.ID 5 _Software.Name OPAL _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Luginbuhl, Guntert, Billeter and Wuthrich' . . 17090 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17090 5 stop_ save_ save_UNIO _Software.Sf_category software _Software.Sf_framecode UNIO _Software.Entry_ID 17090 _Software.ID 6 _Software.Name UNIO _Software.Version 2.0.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID '(UNIO)-Torsten Herrmann' . . 17090 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 17090 6 'structure solution' 17090 6 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 17090 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17090 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17090 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 17090 1 2 spectrometer_2 Bruker Avance . 600 . . . 17090 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 17090 _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 '15N Resolved [1H,1H]-NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17090 1 2 '13Cali Resolved [1H,1H]-NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17090 1 3 '13Caro Resolved [1H,1H]-NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17090 1 4 '4D APSY-HACANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17090 1 5 '5D APSY-HACACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17090 1 6 '5D APSY-CBCACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17090 1 7 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17090 1 8 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17090 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 17090 _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 . . . . . . . . . 17090 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17090 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17090 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 17090 _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 0.024 _Assigned_chem_shift_list.Chem_shift_13C_err 0.14 _Assigned_chem_shift_list.Chem_shift_15N_err 0.14 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '15N Resolved [1H,1H]-NOESY' . . . 17090 1 2 '13Cali Resolved [1H,1H]-NOESY' . . . 17090 1 3 '13Caro Resolved [1H,1H]-NOESY' . . . 17090 1 4 '4D APSY-HACANH' . . . 17090 1 5 '5D APSY-HACACONH' . . . 17090 1 6 '5D APSY-CBCACONH' . . . 17090 1 7 '2D 1H-15N HSQC' . . . 17090 1 8 '2D 1H-13C HSQC' . . . 17090 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 3 $CARA . . 17090 1 4 $TOPSPIN . . 17090 1 6 $UNIO . . 17090 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.514 0.024 . 1 . . . . 1 M HA . 17090 1 2 . 1 1 1 1 MET HB2 H 1 2.129 0.024 . 2 . . . . 1 M QB . 17090 1 3 . 1 1 1 1 MET HB3 H 1 2.129 0.024 . 2 . . . . 1 M QB . 17090 1 4 . 1 1 1 1 MET HE1 H 1 2.048 0.024 . 1 . . . . 1 M QE . 17090 1 5 . 1 1 1 1 MET HE2 H 1 2.048 0.024 . 1 . . . . 1 M QE . 17090 1 6 . 1 1 1 1 MET HE3 H 1 2.048 0.024 . 1 . . . . 1 M QE . 17090 1 7 . 1 1 1 1 MET HG2 H 1 2.609 0.024 . 2 . . . . 1 M HG2 . 17090 1 8 . 1 1 1 1 MET HG3 H 1 2.545 0.024 . 2 . . . . 1 M HG3 . 17090 1 9 . 1 1 1 1 MET CA C 13 55.633 0.14 . 1 . . . . 1 M CA . 17090 1 10 . 1 1 1 1 MET CB C 13 33.407 0.14 . 1 . . . . 1 M CB . 17090 1 11 . 1 1 1 1 MET CE C 13 17.212 0.14 . 1 . . . . 1 M CE . 17090 1 12 . 1 1 1 1 MET CG C 13 32.219 0.14 . 1 . . . . 1 M CG . 17090 1 13 . 1 1 2 2 GLY H H 1 8.562 0.024 . 1 . . . . 2 G H . 17090 1 14 . 1 1 2 2 GLY HA2 H 1 3.893 0.024 . 2 . . . . 2 G HA2 . 17090 1 15 . 1 1 2 2 GLY HA3 H 1 3.975 0.024 . 2 . . . . 2 G HA3 . 17090 1 16 . 1 1 2 2 GLY C C 13 173.373 0.14 . 1 . . . . 2 G C . 17090 1 17 . 1 1 2 2 GLY CA C 13 45.588 0.14 . 1 . . . . 2 G CA . 17090 1 18 . 1 1 2 2 GLY N N 15 110.549 0.14 . 1 . . . . 2 G N . 17090 1 19 . 1 1 3 3 ILE H H 1 7.812 0.024 . 1 . . . . 3 I H . 17090 1 20 . 1 1 3 3 ILE HA H 1 4.277 0.024 . 1 . . . . 3 I HA . 17090 1 21 . 1 1 3 3 ILE HB H 1 1.757 0.024 . 1 . . . . 3 I HB . 17090 1 22 . 1 1 3 3 ILE HD11 H 1 0.751 0.024 . 1 . . . . 3 I QD1 . 17090 1 23 . 1 1 3 3 ILE HD12 H 1 0.751 0.024 . 1 . . . . 3 I QD1 . 17090 1 24 . 1 1 3 3 ILE HD13 H 1 0.751 0.024 . 1 . . . . 3 I QD1 . 17090 1 25 . 1 1 3 3 ILE HG12 H 1 1.372 0.024 . 2 . . . . 3 I HG12 . 17090 1 26 . 1 1 3 3 ILE HG13 H 1 1.058 0.024 . 2 . . . . 3 I HG13 . 17090 1 27 . 1 1 3 3 ILE HG21 H 1 0.815 0.024 . 1 . . . . 3 I QG2 . 17090 1 28 . 1 1 3 3 ILE HG22 H 1 0.815 0.024 . 1 . . . . 3 I QG2 . 17090 1 29 . 1 1 3 3 ILE HG23 H 1 0.815 0.024 . 1 . . . . 3 I QG2 . 17090 1 30 . 1 1 3 3 ILE C C 13 175.178 0.14 . 1 . . . . 3 I C . 17090 1 31 . 1 1 3 3 ILE CA C 13 60.412 0.14 . 1 . . . . 3 I CA . 17090 1 32 . 1 1 3 3 ILE CB C 13 40.069 0.14 . 1 . . . . 3 I CB . 17090 1 33 . 1 1 3 3 ILE CD1 C 13 13.987 0.14 . 1 . . . . 3 I CD1 . 17090 1 34 . 1 1 3 3 ILE CG1 C 13 27.388 0.14 . 1 . . . . 3 I CG1 . 17090 1 35 . 1 1 3 3 ILE CG2 C 13 17.427 0.14 . 1 . . . . 3 I CG2 . 17090 1 36 . 1 1 3 3 ILE N N 15 118.920 0.14 . 1 . . . . 3 I N . 17090 1 37 . 1 1 4 4 THR H H 1 8.404 0.024 . 1 . . . . 4 T H . 17090 1 38 . 1 1 4 4 THR HA H 1 4.247 0.024 . 1 . . . . 4 T HA . 17090 1 39 . 1 1 4 4 THR HB H 1 3.963 0.024 . 1 . . . . 4 T HB . 17090 1 40 . 1 1 4 4 THR HG21 H 1 1.082 0.024 . 1 . . . . 4 T QG2 . 17090 1 41 . 1 1 4 4 THR HG22 H 1 1.082 0.024 . 1 . . . . 4 T QG2 . 17090 1 42 . 1 1 4 4 THR HG23 H 1 1.082 0.024 . 1 . . . . 4 T QG2 . 17090 1 43 . 1 1 4 4 THR C C 13 173.422 0.14 . 1 . . . . 4 T C . 17090 1 44 . 1 1 4 4 THR CA C 13 62.693 0.14 . 1 . . . . 4 T CA . 17090 1 45 . 1 1 4 4 THR CB C 13 69.282 0.14 . 1 . . . . 4 T CB . 17090 1 46 . 1 1 4 4 THR CG2 C 13 21.913 0.14 . 1 . . . . 4 T CG2 . 17090 1 47 . 1 1 4 4 THR N N 15 121.757 0.14 . 1 . . . . 4 T N . 17090 1 48 . 1 1 5 5 ILE H H 1 9.000 0.024 . 1 . . . . 5 I H . 17090 1 49 . 1 1 5 5 ILE HA H 1 4.034 0.024 . 1 . . . . 5 I HA . 17090 1 50 . 1 1 5 5 ILE HB H 1 1.919 0.024 . 1 . . . . 5 I HB . 17090 1 51 . 1 1 5 5 ILE HD11 H 1 0.849 0.024 . 1 . . . . 5 I QD1 . 17090 1 52 . 1 1 5 5 ILE HD12 H 1 0.849 0.024 . 1 . . . . 5 I QD1 . 17090 1 53 . 1 1 5 5 ILE HD13 H 1 0.849 0.024 . 1 . . . . 5 I QD1 . 17090 1 54 . 1 1 5 5 ILE HG12 H 1 1.556 0.024 . 2 . . . . 5 I HG12 . 17090 1 55 . 1 1 5 5 ILE HG13 H 1 1.204 0.024 . 2 . . . . 5 I HG13 . 17090 1 56 . 1 1 5 5 ILE HG21 H 1 0.761 0.024 . 1 . . . . 5 I QG2 . 17090 1 57 . 1 1 5 5 ILE HG22 H 1 0.761 0.024 . 1 . . . . 5 I QG2 . 17090 1 58 . 1 1 5 5 ILE HG23 H 1 0.761 0.024 . 1 . . . . 5 I QG2 . 17090 1 59 . 1 1 5 5 ILE C C 13 174.937 0.14 . 1 . . . . 5 I C . 17090 1 60 . 1 1 5 5 ILE CA C 13 60.036 0.14 . 1 . . . . 5 I CA . 17090 1 61 . 1 1 5 5 ILE CB C 13 37.408 0.14 . 1 . . . . 5 I CB . 17090 1 62 . 1 1 5 5 ILE CD1 C 13 13.459 0.14 . 1 . . . . 5 I CD1 . 17090 1 63 . 1 1 5 5 ILE CG1 C 13 27.063 0.14 . 1 . . . . 5 I CG1 . 17090 1 64 . 1 1 5 5 ILE CG2 C 13 18.626 0.14 . 1 . . . . 5 I CG2 . 17090 1 65 . 1 1 5 5 ILE N N 15 127.848 0.14 . 1 . . . . 5 I N . 17090 1 66 . 1 1 6 6 THR H H 1 6.995 0.024 . 1 . . . . 6 T H . 17090 1 67 . 1 1 6 6 THR HA H 1 4.549 0.024 . 1 . . . . 6 T HA . 17090 1 68 . 1 1 6 6 THR HB H 1 4.678 0.024 . 1 . . . . 6 T HB . 17090 1 69 . 1 1 6 6 THR HG21 H 1 1.187 0.024 . 1 . . . . 6 T QG2 . 17090 1 70 . 1 1 6 6 THR HG22 H 1 1.187 0.024 . 1 . . . . 6 T QG2 . 17090 1 71 . 1 1 6 6 THR HG23 H 1 1.187 0.024 . 1 . . . . 6 T QG2 . 17090 1 72 . 1 1 6 6 THR C C 13 174.444 0.14 . 1 . . . . 6 T C . 17090 1 73 . 1 1 6 6 THR CA C 13 59.221 0.14 . 1 . . . . 6 T CA . 17090 1 74 . 1 1 6 6 THR CB C 13 71.085 0.14 . 1 . . . . 6 T CB . 17090 1 75 . 1 1 6 6 THR CG2 C 13 22.150 0.14 . 1 . . . . 6 T CG2 . 17090 1 76 . 1 1 6 6 THR N N 15 118.144 0.14 . 1 . . . . 6 T N . 17090 1 77 . 1 1 7 7 ASP H H 1 9.215 0.024 . 1 . . . . 7 D H . 17090 1 78 . 1 1 7 7 ASP HA H 1 4.195 0.024 . 1 . . . . 7 D HA . 17090 1 79 . 1 1 7 7 ASP HB2 H 1 2.680 0.024 . 2 . . . . 7 D QB . 17090 1 80 . 1 1 7 7 ASP HB3 H 1 2.680 0.024 . 2 . . . . 7 D QB . 17090 1 81 . 1 1 7 7 ASP C C 13 177.457 0.14 . 1 . . . . 7 D C . 17090 1 82 . 1 1 7 7 ASP CA C 13 57.778 0.14 . 1 . . . . 7 D CA . 17090 1 83 . 1 1 7 7 ASP CB C 13 39.025 0.14 . 1 . . . . 7 D CB . 17090 1 84 . 1 1 7 7 ASP N N 15 122.546 0.14 . 1 . . . . 7 D N . 17090 1 85 . 1 1 8 8 GLU H H 1 8.611 0.024 . 1 . . . . 8 E H . 17090 1 86 . 1 1 8 8 GLU HA H 1 4.070 0.024 . 1 . . . . 8 E HA . 17090 1 87 . 1 1 8 8 GLU HB2 H 1 2.037 0.024 . 2 . . . . 8 E HB2 . 17090 1 88 . 1 1 8 8 GLU HB3 H 1 1.886 0.024 . 2 . . . . 8 E HB3 . 17090 1 89 . 1 1 8 8 GLU HG2 H 1 2.247 0.024 . 2 . . . . 8 E HG2 . 17090 1 90 . 1 1 8 8 GLU HG3 H 1 2.360 0.024 . 2 . . . . 8 E HG3 . 17090 1 91 . 1 1 8 8 GLU C C 13 179.078 0.14 . 1 . . . . 8 E C . 17090 1 92 . 1 1 8 8 GLU CA C 13 60.693 0.14 . 1 . . . . 8 E CA . 17090 1 93 . 1 1 8 8 GLU CB C 13 29.144 0.14 . 1 . . . . 8 E CB . 17090 1 94 . 1 1 8 8 GLU CG C 13 37.322 0.14 . 1 . . . . 8 E CG . 17090 1 95 . 1 1 8 8 GLU N N 15 117.847 0.14 . 1 . . . . 8 E N . 17090 1 96 . 1 1 9 9 LEU H H 1 7.642 0.024 . 1 . . . . 9 L H . 17090 1 97 . 1 1 9 9 LEU HA H 1 4.059 0.024 . 1 . . . . 9 L HA . 17090 1 98 . 1 1 9 9 LEU HB2 H 1 1.701 0.024 . 2 . . . . 9 L HB2 . 17090 1 99 . 1 1 9 9 LEU HB3 H 1 1.626 0.024 . 2 . . . . 9 L HB3 . 17090 1 100 . 1 1 9 9 LEU HD11 H 1 0.926 0.024 . 2 . . . . 9 L QD1 . 17090 1 101 . 1 1 9 9 LEU HD12 H 1 0.926 0.024 . 2 . . . . 9 L QD1 . 17090 1 102 . 1 1 9 9 LEU HD13 H 1 0.926 0.024 . 2 . . . . 9 L QD1 . 17090 1 103 . 1 1 9 9 LEU HD21 H 1 0.896 0.024 . 2 . . . . 9 L QD2 . 17090 1 104 . 1 1 9 9 LEU HD22 H 1 0.896 0.024 . 2 . . . . 9 L QD2 . 17090 1 105 . 1 1 9 9 LEU HD23 H 1 0.896 0.024 . 2 . . . . 9 L QD2 . 17090 1 106 . 1 1 9 9 LEU HG H 1 1.550 0.024 . 1 . . . . 9 L HG . 17090 1 107 . 1 1 9 9 LEU C C 13 177.578 0.14 . 1 . . . . 9 L C . 17090 1 108 . 1 1 9 9 LEU CA C 13 57.779 0.14 . 1 . . . . 9 L CA . 17090 1 109 . 1 1 9 9 LEU CB C 13 42.894 0.14 . 1 . . . . 9 L CB . 17090 1 110 . 1 1 9 9 LEU CD1 C 13 25.010 0.14 . 2 . . . . 9 L CD1 . 17090 1 111 . 1 1 9 9 LEU CD2 C 13 25.553 0.14 . 2 . . . . 9 L CD2 . 17090 1 112 . 1 1 9 9 LEU CG C 13 27.058 0.14 . 1 . . . . 9 L CG . 17090 1 113 . 1 1 9 9 LEU N N 15 122.873 0.14 . 1 . . . . 9 L N . 17090 1 114 . 1 1 10 10 LEU H H 1 7.424 0.024 . 1 . . . . 10 L H . 17090 1 115 . 1 1 10 10 LEU HA H 1 3.801 0.024 . 1 . . . . 10 L HA . 17090 1 116 . 1 1 10 10 LEU HB2 H 1 1.758 0.024 . 2 . . . . 10 L HB2 . 17090 1 117 . 1 1 10 10 LEU HB3 H 1 0.862 0.024 . 2 . . . . 10 L HB3 . 17090 1 118 . 1 1 10 10 LEU HD11 H 1 0.667 0.024 . 2 . . . . 10 L QQD . 17090 1 119 . 1 1 10 10 LEU HD12 H 1 0.667 0.024 . 2 . . . . 10 L QQD . 17090 1 120 . 1 1 10 10 LEU HD13 H 1 0.667 0.024 . 2 . . . . 10 L QQD . 17090 1 121 . 1 1 10 10 LEU HD21 H 1 0.667 0.024 . 2 . . . . 10 L QQD . 17090 1 122 . 1 1 10 10 LEU HD22 H 1 0.667 0.024 . 2 . . . . 10 L QQD . 17090 1 123 . 1 1 10 10 LEU HD23 H 1 0.667 0.024 . 2 . . . . 10 L QQD . 17090 1 124 . 1 1 10 10 LEU HG H 1 1.823 0.024 . 1 . . . . 10 L HG . 17090 1 125 . 1 1 10 10 LEU C C 13 179.785 0.14 . 1 . . . . 10 L C . 17090 1 126 . 1 1 10 10 LEU CA C 13 57.753 0.14 . 1 . . . . 10 L CA . 17090 1 127 . 1 1 10 10 LEU CB C 13 40.325 0.14 . 1 . . . . 10 L CB . 17090 1 128 . 1 1 10 10 LEU CD2 C 13 23.549 0.14 . 2 . . . . 10 L CD2 . 17090 1 129 . 1 1 10 10 LEU CG C 13 26.092 0.14 . 1 . . . . 10 L CG . 17090 1 130 . 1 1 10 10 LEU N N 15 117.272 0.14 . 1 . . . . 10 L N . 17090 1 131 . 1 1 11 11 TRP H H 1 8.760 0.024 . 1 . . . . 11 W H . 17090 1 132 . 1 1 11 11 TRP HA H 1 4.188 0.024 . 1 . . . . 11 W HA . 17090 1 133 . 1 1 11 11 TRP HB2 H 1 3.072 0.024 . 2 . . . . 11 W HB2 . 17090 1 134 . 1 1 11 11 TRP HB3 H 1 3.144 0.024 . 2 . . . . 11 W HB3 . 17090 1 135 . 1 1 11 11 TRP HD1 H 1 7.062 0.024 . 1 . . . . 11 W HD1 . 17090 1 136 . 1 1 11 11 TRP HE1 H 1 10.220 0.024 . 1 . . . . 11 W HE1 . 17090 1 137 . 1 1 11 11 TRP HE3 H 1 7.444 0.024 . 1 . . . . 11 W HE3 . 17090 1 138 . 1 1 11 11 TRP HH2 H 1 7.200 0.024 . 1 . . . . 11 W HH2 . 17090 1 139 . 1 1 11 11 TRP HZ2 H 1 7.554 0.024 . 1 . . . . 11 W HZ2 . 17090 1 140 . 1 1 11 11 TRP HZ3 H 1 7.046 0.024 . 1 . . . . 11 W HZ3 . 17090 1 141 . 1 1 11 11 TRP C C 13 177.903 0.14 . 1 . . . . 11 W C . 17090 1 142 . 1 1 11 11 TRP CA C 13 61.273 0.14 . 1 . . . . 11 W CA . 17090 1 143 . 1 1 11 11 TRP CB C 13 29.303 0.14 . 1 . . . . 11 W CB . 17090 1 144 . 1 1 11 11 TRP CD1 C 13 127.635 0.14 . 1 . . . . 11 W CD1 . 17090 1 145 . 1 1 11 11 TRP CE3 C 13 120.320 0.14 . 1 . . . . 11 W CE3 . 17090 1 146 . 1 1 11 11 TRP CH2 C 13 124.211 0.14 . 1 . . . . 11 W CH2 . 17090 1 147 . 1 1 11 11 TRP CZ2 C 13 115.675 0.14 . 1 . . . . 11 W CZ2 . 17090 1 148 . 1 1 11 11 TRP CZ3 C 13 121.887 0.14 . 1 . . . . 11 W CZ3 . 17090 1 149 . 1 1 11 11 TRP N N 15 118.500 0.14 . 1 . . . . 11 W N . 17090 1 150 . 1 1 11 11 TRP NE1 N 15 128.413 0.14 . 1 . . . . 11 W NE1 . 17090 1 151 . 1 1 12 12 ALA H H 1 7.944 0.024 . 1 . . . . 12 A H . 17090 1 152 . 1 1 12 12 ALA HA H 1 4.194 0.024 . 1 . . . . 12 A HA . 17090 1 153 . 1 1 12 12 ALA HB1 H 1 1.550 0.024 . 1 . . . . 12 A QB . 17090 1 154 . 1 1 12 12 ALA HB2 H 1 1.550 0.024 . 1 . . . . 12 A QB . 17090 1 155 . 1 1 12 12 ALA HB3 H 1 1.550 0.024 . 1 . . . . 12 A QB . 17090 1 156 . 1 1 12 12 ALA CA C 13 55.074 0.14 . 1 . . . . 12 A CA . 17090 1 157 . 1 1 12 12 ALA CB C 13 18.181 0.14 . 1 . . . . 12 A CB . 17090 1 158 . 1 1 12 12 ALA N N 15 121.448 0.14 . 1 . . . . 12 A N . 17090 1 159 . 1 1 13 13 ILE H H 1 7.819 0.024 . 1 . . . . 13 I H . 17090 1 160 . 1 1 13 13 ILE HA H 1 3.560 0.024 . 1 . . . . 13 I HA . 17090 1 161 . 1 1 13 13 ILE HB H 1 2.204 0.024 . 1 . . . . 13 I HB . 17090 1 162 . 1 1 13 13 ILE HD11 H 1 0.619 0.024 . 1 . . . . 13 I QD1 . 17090 1 163 . 1 1 13 13 ILE HD12 H 1 0.619 0.024 . 1 . . . . 13 I QD1 . 17090 1 164 . 1 1 13 13 ILE HD13 H 1 0.619 0.024 . 1 . . . . 13 I QD1 . 17090 1 165 . 1 1 13 13 ILE HG12 H 1 0.426 0.024 . 2 . . . . 13 I QG1 . 17090 1 166 . 1 1 13 13 ILE HG13 H 1 0.426 0.024 . 2 . . . . 13 I QG1 . 17090 1 167 . 1 1 13 13 ILE HG21 H 1 0.548 0.024 . 1 . . . . 13 I QG2 . 17090 1 168 . 1 1 13 13 ILE HG22 H 1 0.548 0.024 . 1 . . . . 13 I QG2 . 17090 1 169 . 1 1 13 13 ILE HG23 H 1 0.548 0.024 . 1 . . . . 13 I QG2 . 17090 1 170 . 1 1 13 13 ILE C C 13 180.531 0.14 . 1 . . . . 13 I C . 17090 1 171 . 1 1 13 13 ILE CA C 13 65.071 0.14 . 1 . . . . 13 I CA . 17090 1 172 . 1 1 13 13 ILE CB C 13 37.491 0.14 . 1 . . . . 13 I CB . 17090 1 173 . 1 1 13 13 ILE CD1 C 13 13.145 0.14 . 1 . . . . 13 I CD1 . 17090 1 174 . 1 1 13 13 ILE CG1 C 13 29.863 0.14 . 1 . . . . 13 I CG1 . 17090 1 175 . 1 1 13 13 ILE CG2 C 13 18.221 0.14 . 1 . . . . 13 I CG2 . 17090 1 176 . 1 1 13 13 ILE N N 15 119.891 0.14 . 1 . . . . 13 I N . 17090 1 177 . 1 1 14 14 LEU H H 1 7.761 0.024 . 1 . . . . 14 L H . 17090 1 178 . 1 1 14 14 LEU HA H 1 3.802 0.024 . 1 . . . . 14 L HA . 17090 1 179 . 1 1 14 14 LEU HB2 H 1 1.732 0.024 . 2 . . . . 14 L HB2 . 17090 1 180 . 1 1 14 14 LEU HB3 H 1 0.835 0.024 . 2 . . . . 14 L HB3 . 17090 1 181 . 1 1 14 14 LEU HD11 H 1 -0.671 0.024 . 2 . . . . 14 L QD1 . 17090 1 182 . 1 1 14 14 LEU HD12 H 1 -0.671 0.024 . 2 . . . . 14 L QD1 . 17090 1 183 . 1 1 14 14 LEU HD13 H 1 -0.671 0.024 . 2 . . . . 14 L QD1 . 17090 1 184 . 1 1 14 14 LEU HD21 H 1 -0.046 0.024 . 2 . . . . 14 L QD2 . 17090 1 185 . 1 1 14 14 LEU HD22 H 1 -0.046 0.024 . 2 . . . . 14 L QD2 . 17090 1 186 . 1 1 14 14 LEU HD23 H 1 -0.046 0.024 . 2 . . . . 14 L QD2 . 17090 1 187 . 1 1 14 14 LEU HG H 1 1.360 0.024 . 1 . . . . 14 L HG . 17090 1 188 . 1 1 14 14 LEU C C 13 179.489 0.14 . 1 . . . . 14 L C . 17090 1 189 . 1 1 14 14 LEU CA C 13 57.737 0.14 . 1 . . . . 14 L CA . 17090 1 190 . 1 1 14 14 LEU CB C 13 41.574 0.14 . 1 . . . . 14 L CB . 17090 1 191 . 1 1 14 14 LEU CD1 C 13 24.598 0.14 . 2 . . . . 14 L CD1 . 17090 1 192 . 1 1 14 14 LEU CD2 C 13 20.924 0.14 . 2 . . . . 14 L CD2 . 17090 1 193 . 1 1 14 14 LEU CG C 13 25.694 0.14 . 1 . . . . 14 L CG . 17090 1 194 . 1 1 14 14 LEU N N 15 122.794 0.14 . 1 . . . . 14 L N . 17090 1 195 . 1 1 15 15 LYS H H 1 8.851 0.024 . 1 . . . . 15 K H . 17090 1 196 . 1 1 15 15 LYS HA H 1 4.341 0.024 . 1 . . . . 15 K HA . 17090 1 197 . 1 1 15 15 LYS HB2 H 1 2.165 0.024 . 2 . . . . 15 K QB . 17090 1 198 . 1 1 15 15 LYS HB3 H 1 2.165 0.024 . 2 . . . . 15 K QB . 17090 1 199 . 1 1 15 15 LYS HD2 H 1 1.640 0.024 . 2 . . . . 15 K QD . 17090 1 200 . 1 1 15 15 LYS HD3 H 1 1.640 0.024 . 2 . . . . 15 K QD . 17090 1 201 . 1 1 15 15 LYS HE2 H 1 2.798 0.024 . 2 . . . . 15 K QE . 17090 1 202 . 1 1 15 15 LYS HE3 H 1 2.798 0.024 . 2 . . . . 15 K QE . 17090 1 203 . 1 1 15 15 LYS HG2 H 1 1.556 0.024 . 2 . . . . 15 K HG2 . 17090 1 204 . 1 1 15 15 LYS HG3 H 1 1.852 0.024 . 2 . . . . 15 K HG3 . 17090 1 205 . 1 1 15 15 LYS C C 13 174.952 0.14 . 1 . . . . 15 K C . 17090 1 206 . 1 1 15 15 LYS CA C 13 57.038 0.14 . 1 . . . . 15 K CA . 17090 1 207 . 1 1 15 15 LYS CB C 13 32.364 0.14 . 1 . . . . 15 K CB . 17090 1 208 . 1 1 15 15 LYS CD C 13 29.562 0.14 . 1 . . . . 15 K CD . 17090 1 209 . 1 1 15 15 LYS CE C 13 41.986 0.14 . 1 . . . . 15 K CE . 17090 1 210 . 1 1 15 15 LYS CG C 13 26.116 0.14 . 1 . . . . 15 K CG . 17090 1 211 . 1 1 15 15 LYS N N 15 116.783 0.14 . 1 . . . . 15 K N . 17090 1 212 . 1 1 16 16 ASP H H 1 7.881 0.024 . 1 . . . . 16 D H . 17090 1 213 . 1 1 16 16 ASP HA H 1 4.453 0.024 . 1 . . . . 16 D HA . 17090 1 214 . 1 1 16 16 ASP HB2 H 1 3.201 0.024 . 2 . . . . 16 D HB2 . 17090 1 215 . 1 1 16 16 ASP HB3 H 1 2.401 0.024 . 2 . . . . 16 D HB3 . 17090 1 216 . 1 1 16 16 ASP C C 13 174.327 0.14 . 1 . . . . 16 D C . 17090 1 217 . 1 1 16 16 ASP CA C 13 55.364 0.14 . 1 . . . . 16 D CA . 17090 1 218 . 1 1 16 16 ASP CB C 13 39.865 0.14 . 1 . . . . 16 D CB . 17090 1 219 . 1 1 16 16 ASP N N 15 117.105 0.14 . 1 . . . . 16 D N . 17090 1 220 . 1 1 17 17 GLU H H 1 8.144 0.024 . 1 . . . . 17 E H . 17090 1 221 . 1 1 17 17 GLU HA H 1 4.240 0.024 . 1 . . . . 17 E HA . 17090 1 222 . 1 1 17 17 GLU HB2 H 1 2.020 0.024 . 2 . . . . 17 E HB2 . 17090 1 223 . 1 1 17 17 GLU HB3 H 1 1.869 0.024 . 2 . . . . 17 E HB3 . 17090 1 224 . 1 1 17 17 GLU HG2 H 1 2.087 0.024 . 2 . . . . 17 E QG . 17090 1 225 . 1 1 17 17 GLU HG3 H 1 2.087 0.024 . 2 . . . . 17 E QG . 17090 1 226 . 1 1 17 17 GLU C C 13 176.834 0.14 . 1 . . . . 17 E C . 17090 1 227 . 1 1 17 17 GLU CA C 13 57.011 0.14 . 1 . . . . 17 E CA . 17090 1 228 . 1 1 17 17 GLU CB C 13 30.686 0.14 . 1 . . . . 17 E CB . 17090 1 229 . 1 1 17 17 GLU CG C 13 36.337 0.14 . 1 . . . . 17 E CG . 17090 1 230 . 1 1 17 17 GLU N N 15 115.625 0.14 . 1 . . . . 17 E N . 17090 1 231 . 1 1 18 18 LEU H H 1 6.835 0.024 . 1 . . . . 18 L H . 17090 1 232 . 1 1 18 18 LEU HA H 1 4.394 0.024 . 1 . . . . 18 L HA . 17090 1 233 . 1 1 18 18 LEU HB2 H 1 1.366 0.024 . 2 . . . . 18 L HB2 . 17090 1 234 . 1 1 18 18 LEU HB3 H 1 1.018 0.024 . 2 . . . . 18 L HB3 . 17090 1 235 . 1 1 18 18 LEU HD11 H 1 0.762 0.024 . 2 . . . . 18 L QD1 . 17090 1 236 . 1 1 18 18 LEU HD12 H 1 0.762 0.024 . 2 . . . . 18 L QD1 . 17090 1 237 . 1 1 18 18 LEU HD13 H 1 0.762 0.024 . 2 . . . . 18 L QD1 . 17090 1 238 . 1 1 18 18 LEU HD21 H 1 0.612 0.024 . 2 . . . . 18 L QD2 . 17090 1 239 . 1 1 18 18 LEU HD22 H 1 0.612 0.024 . 2 . . . . 18 L QD2 . 17090 1 240 . 1 1 18 18 LEU HD23 H 1 0.612 0.024 . 2 . . . . 18 L QD2 . 17090 1 241 . 1 1 18 18 LEU HG H 1 1.545 0.024 . 1 . . . . 18 L HG . 17090 1 242 . 1 1 18 18 LEU C C 13 177.683 0.14 . 1 . . . . 18 L C . 17090 1 243 . 1 1 18 18 LEU CA C 13 54.094 0.14 . 1 . . . . 18 L CA . 17090 1 244 . 1 1 18 18 LEU CB C 13 43.895 0.14 . 1 . . . . 18 L CB . 17090 1 245 . 1 1 18 18 LEU CD1 C 13 24.792 0.14 . 2 . . . . 18 L CD1 . 17090 1 246 . 1 1 18 18 LEU CD2 C 13 24.980 0.14 . 2 . . . . 18 L CD2 . 17090 1 247 . 1 1 18 18 LEU CG C 13 27.573 0.14 . 1 . . . . 18 L CG . 17090 1 248 . 1 1 18 18 LEU N N 15 119.204 0.14 . 1 . . . . 18 L N . 17090 1 249 . 1 1 19 19 SER H H 1 9.281 0.024 . 1 . . . . 19 S H . 17090 1 250 . 1 1 19 19 SER HA H 1 4.205 0.024 . 1 . . . . 19 S HA . 17090 1 251 . 1 1 19 19 SER HB2 H 1 4.238 0.024 . 2 . . . . 19 S QB . 17090 1 252 . 1 1 19 19 SER HB3 H 1 4.238 0.024 . 2 . . . . 19 S QB . 17090 1 253 . 1 1 19 19 SER C C 13 173.703 0.14 . 1 . . . . 19 S C . 17090 1 254 . 1 1 19 19 SER CA C 13 58.361 0.14 . 1 . . . . 19 S CA . 17090 1 255 . 1 1 19 19 SER CB C 13 64.804 0.14 . 1 . . . . 19 S CB . 17090 1 256 . 1 1 19 19 SER N N 15 124.827 0.14 . 1 . . . . 19 S N . 17090 1 257 . 1 1 20 20 ASP H H 1 8.939 0.024 . 1 . . . . 20 D H . 17090 1 258 . 1 1 20 20 ASP HA H 1 3.909 0.024 . 1 . . . . 20 D HA . 17090 1 259 . 1 1 20 20 ASP HB2 H 1 2.584 0.024 . 2 . . . . 20 D HB2 . 17090 1 260 . 1 1 20 20 ASP HB3 H 1 2.526 0.024 . 2 . . . . 20 D HB3 . 17090 1 261 . 1 1 20 20 ASP C C 13 176.841 0.14 . 1 . . . . 20 D C . 17090 1 262 . 1 1 20 20 ASP CA C 13 57.885 0.14 . 1 . . . . 20 D CA . 17090 1 263 . 1 1 20 20 ASP CB C 13 40.025 0.14 . 1 . . . . 20 D CB . 17090 1 264 . 1 1 20 20 ASP N N 15 122.863 0.14 . 1 . . . . 20 D N . 17090 1 265 . 1 1 21 21 ALA H H 1 8.201 0.024 . 1 . . . . 21 A H . 17090 1 266 . 1 1 21 21 ALA HA H 1 3.852 0.024 . 1 . . . . 21 A HA . 17090 1 267 . 1 1 21 21 ALA HB1 H 1 1.239 0.024 . 1 . . . . 21 A QB . 17090 1 268 . 1 1 21 21 ALA HB2 H 1 1.239 0.024 . 1 . . . . 21 A QB . 17090 1 269 . 1 1 21 21 ALA HB3 H 1 1.239 0.024 . 1 . . . . 21 A QB . 17090 1 270 . 1 1 21 21 ALA C C 13 180.764 0.14 . 1 . . . . 21 A C . 17090 1 271 . 1 1 21 21 ALA CA C 13 55.148 0.14 . 1 . . . . 21 A CA . 17090 1 272 . 1 1 21 21 ALA CB C 13 18.235 0.14 . 1 . . . . 21 A CB . 17090 1 273 . 1 1 21 21 ALA N N 15 120.252 0.14 . 1 . . . . 21 A N . 17090 1 274 . 1 1 22 22 GLU H H 1 7.683 0.024 . 1 . . . . 22 E H . 17090 1 275 . 1 1 22 22 GLU HA H 1 3.727 0.024 . 1 . . . . 22 E HA . 17090 1 276 . 1 1 22 22 GLU HB2 H 1 1.770 0.024 . 2 . . . . 22 E HB2 . 17090 1 277 . 1 1 22 22 GLU HB3 H 1 2.032 0.024 . 2 . . . . 22 E HB3 . 17090 1 278 . 1 1 22 22 GLU HG2 H 1 2.071 0.024 . 2 . . . . 22 E HG2 . 17090 1 279 . 1 1 22 22 GLU HG3 H 1 2.135 0.024 . 2 . . . . 22 E HG3 . 17090 1 280 . 1 1 22 22 GLU C C 13 178.217 0.14 . 1 . . . . 22 E C . 17090 1 281 . 1 1 22 22 GLU CA C 13 58.912 0.14 . 1 . . . . 22 E CA . 17090 1 282 . 1 1 22 22 GLU CB C 13 30.467 0.14 . 1 . . . . 22 E CB . 17090 1 283 . 1 1 22 22 GLU CG C 13 37.841 0.14 . 1 . . . . 22 E CG . 17090 1 284 . 1 1 22 22 GLU N N 15 118.877 0.14 . 1 . . . . 22 E N . 17090 1 285 . 1 1 23 23 ALA H H 1 8.348 0.024 . 1 . . . . 23 A H . 17090 1 286 . 1 1 23 23 ALA HA H 1 3.689 0.024 . 1 . . . . 23 A HA . 17090 1 287 . 1 1 23 23 ALA HB1 H 1 1.128 0.024 . 1 . . . . 23 A QB . 17090 1 288 . 1 1 23 23 ALA HB2 H 1 1.128 0.024 . 1 . . . . 23 A QB . 17090 1 289 . 1 1 23 23 ALA HB3 H 1 1.128 0.024 . 1 . . . . 23 A QB . 17090 1 290 . 1 1 23 23 ALA C C 13 177.931 0.14 . 1 . . . . 23 A C . 17090 1 291 . 1 1 23 23 ALA CA C 13 55.474 0.14 . 1 . . . . 23 A CA . 17090 1 292 . 1 1 23 23 ALA CB C 13 17.203 0.14 . 1 . . . . 23 A CB . 17090 1 293 . 1 1 23 23 ALA N N 15 123.009 0.14 . 1 . . . . 23 A N . 17090 1 294 . 1 1 24 24 ASN H H 1 7.824 0.024 . 1 . . . . 24 N H . 17090 1 295 . 1 1 24 24 ASN HA H 1 3.712 0.024 . 1 . . . . 24 N HA . 17090 1 296 . 1 1 24 24 ASN HB2 H 1 1.141 0.024 . 2 . . . . 24 N HB2 . 17090 1 297 . 1 1 24 24 ASN HB3 H 1 1.920 0.024 . 2 . . . . 24 N HB3 . 17090 1 298 . 1 1 24 24 ASN HD21 H 1 6.516 0.024 . 2 . . . . 24 N HD21 . 17090 1 299 . 1 1 24 24 ASN HD22 H 1 6.541 0.024 . 2 . . . . 24 N HD22 . 17090 1 300 . 1 1 24 24 ASN C C 13 175.273 0.14 . 1 . . . . 24 N C . 17090 1 301 . 1 1 24 24 ASN CA C 13 55.956 0.14 . 1 . . . . 24 N CA . 17090 1 302 . 1 1 24 24 ASN CB C 13 38.410 0.14 . 1 . . . . 24 N CB . 17090 1 303 . 1 1 24 24 ASN N N 15 115.176 0.14 . 1 . . . . 24 N N . 17090 1 304 . 1 1 24 24 ASN ND2 N 15 110.254 0.14 . 1 . . . . 24 N ND2 . 17090 1 305 . 1 1 25 25 ALA H H 1 6.997 0.024 . 1 . . . . 25 A H . 17090 1 306 . 1 1 25 25 ALA HA H 1 3.370 0.024 . 1 . . . . 25 A HA . 17090 1 307 . 1 1 25 25 ALA HB1 H 1 1.221 0.024 . 1 . . . . 25 A QB . 17090 1 308 . 1 1 25 25 ALA HB2 H 1 1.221 0.024 . 1 . . . . 25 A QB . 17090 1 309 . 1 1 25 25 ALA HB3 H 1 1.221 0.024 . 1 . . . . 25 A QB . 17090 1 310 . 1 1 25 25 ALA C C 13 179.945 0.14 . 1 . . . . 25 A C . 17090 1 311 . 1 1 25 25 ALA CA C 13 54.773 0.14 . 1 . . . . 25 A CA . 17090 1 312 . 1 1 25 25 ALA CB C 13 17.903 0.14 . 1 . . . . 25 A CB . 17090 1 313 . 1 1 25 25 ALA N N 15 116.111 0.14 . 1 . . . . 25 A N . 17090 1 314 . 1 1 26 26 LEU H H 1 7.229 0.024 . 1 . . . . 26 L H . 17090 1 315 . 1 1 26 26 LEU HA H 1 4.008 0.024 . 1 . . . . 26 L HA . 17090 1 316 . 1 1 26 26 LEU HB2 H 1 1.353 0.024 . 2 . . . . 26 L HB2 . 17090 1 317 . 1 1 26 26 LEU HB3 H 1 1.724 0.024 . 2 . . . . 26 L HB3 . 17090 1 318 . 1 1 26 26 LEU HD11 H 1 0.758 0.024 . 2 . . . . 26 L QQD . 17090 1 319 . 1 1 26 26 LEU HD12 H 1 0.758 0.024 . 2 . . . . 26 L QQD . 17090 1 320 . 1 1 26 26 LEU HD13 H 1 0.758 0.024 . 2 . . . . 26 L QQD . 17090 1 321 . 1 1 26 26 LEU HD21 H 1 0.758 0.024 . 2 . . . . 26 L QQD . 17090 1 322 . 1 1 26 26 LEU HD22 H 1 0.758 0.024 . 2 . . . . 26 L QQD . 17090 1 323 . 1 1 26 26 LEU HD23 H 1 0.758 0.024 . 2 . . . . 26 L QQD . 17090 1 324 . 1 1 26 26 LEU HG H 1 1.669 0.024 . 1 . . . . 26 L HG . 17090 1 325 . 1 1 26 26 LEU C C 13 177.986 0.14 . 1 . . . . 26 L C . 17090 1 326 . 1 1 26 26 LEU CA C 13 57.923 0.14 . 1 . . . . 26 L CA . 17090 1 327 . 1 1 26 26 LEU CB C 13 42.888 0.14 . 1 . . . . 26 L CB . 17090 1 328 . 1 1 26 26 LEU CD1 C 13 25.505 0.14 . 2 . . . . 26 L CD1 . 17090 1 329 . 1 1 26 26 LEU CD2 C 13 24.818 0.14 . 2 . . . . 26 L CD2 . 17090 1 330 . 1 1 26 26 LEU CG C 13 26.879 0.14 . 1 . . . . 26 L CG . 17090 1 331 . 1 1 26 26 LEU N N 15 119.099 0.14 . 1 . . . . 26 L N . 17090 1 332 . 1 1 27 27 VAL H H 1 6.834 0.024 . 1 . . . . 27 V H . 17090 1 333 . 1 1 27 27 VAL HA H 1 3.291 0.024 . 1 . . . . 27 V HA . 17090 1 334 . 1 1 27 27 VAL HB H 1 1.779 0.024 . 1 . . . . 27 V HB . 17090 1 335 . 1 1 27 27 VAL HG11 H 1 -0.209 0.024 . 2 . . . . 27 V QG1 . 17090 1 336 . 1 1 27 27 VAL HG12 H 1 -0.209 0.024 . 2 . . . . 27 V QG1 . 17090 1 337 . 1 1 27 27 VAL HG13 H 1 -0.209 0.024 . 2 . . . . 27 V QG1 . 17090 1 338 . 1 1 27 27 VAL HG21 H 1 0.597 0.024 . 2 . . . . 27 V QG2 . 17090 1 339 . 1 1 27 27 VAL HG22 H 1 0.597 0.024 . 2 . . . . 27 V QG2 . 17090 1 340 . 1 1 27 27 VAL HG23 H 1 0.597 0.024 . 2 . . . . 27 V QG2 . 17090 1 341 . 1 1 27 27 VAL C C 13 177.507 0.14 . 1 . . . . 27 V C . 17090 1 342 . 1 1 27 27 VAL CA C 13 66.562 0.14 . 1 . . . . 27 V CA . 17090 1 343 . 1 1 27 27 VAL CB C 13 30.907 0.14 . 1 . . . . 27 V CB . 17090 1 344 . 1 1 27 27 VAL CG1 C 13 22.404 0.14 . 2 . . . . 27 V CG1 . 17090 1 345 . 1 1 27 27 VAL CG2 C 13 22.939 0.14 . 2 . . . . 27 V CG2 . 17090 1 346 . 1 1 27 27 VAL N N 15 118.329 0.14 . 1 . . . . 27 V N . 17090 1 347 . 1 1 28 28 TRP H H 1 8.920 0.024 . 1 . . . . 28 W H . 17090 1 348 . 1 1 28 28 TRP HA H 1 4.236 0.024 . 1 . . . . 28 W HA . 17090 1 349 . 1 1 28 28 TRP HB2 H 1 3.321 0.024 . 2 . . . . 28 W HB2 . 17090 1 350 . 1 1 28 28 TRP HB3 H 1 2.554 0.024 . 2 . . . . 28 W HB3 . 17090 1 351 . 1 1 28 28 TRP HD1 H 1 6.257 0.024 . 1 . . . . 28 W HD1 . 17090 1 352 . 1 1 28 28 TRP HE1 H 1 10.141 0.024 . 1 . . . . 28 W HE1 . 17090 1 353 . 1 1 28 28 TRP HE3 H 1 7.196 0.024 . 1 . . . . 28 W HE3 . 17090 1 354 . 1 1 28 28 TRP HH2 H 1 6.865 0.024 . 1 . . . . 28 W HH2 . 17090 1 355 . 1 1 28 28 TRP HZ2 H 1 6.524 0.024 . 1 . . . . 28 W HZ2 . 17090 1 356 . 1 1 28 28 TRP HZ3 H 1 6.671 0.024 . 1 . . . . 28 W HZ3 . 17090 1 357 . 1 1 28 28 TRP C C 13 178.494 0.14 . 1 . . . . 28 W C . 17090 1 358 . 1 1 28 28 TRP CA C 13 58.166 0.14 . 1 . . . . 28 W CA . 17090 1 359 . 1 1 28 28 TRP CB C 13 28.441 0.14 . 1 . . . . 28 W CB . 17090 1 360 . 1 1 28 28 TRP CD1 C 13 121.697 0.14 . 1 . . . . 28 W CD1 . 17090 1 361 . 1 1 28 28 TRP CE3 C 13 120.940 0.14 . 1 . . . . 28 W CE3 . 17090 1 362 . 1 1 28 28 TRP CH2 C 13 124.589 0.14 . 1 . . . . 28 W CH2 . 17090 1 363 . 1 1 28 28 TRP CZ2 C 13 113.726 0.14 . 1 . . . . 28 W CZ2 . 17090 1 364 . 1 1 28 28 TRP N N 15 118.987 0.14 . 1 . . . . 28 W N . 17090 1 365 . 1 1 28 28 TRP NE1 N 15 127.936 0.14 . 1 . . . . 28 W NE1 . 17090 1 366 . 1 1 29 29 GLN H H 1 8.193 0.024 . 1 . . . . 29 Q H . 17090 1 367 . 1 1 29 29 GLN HA H 1 4.321 0.024 . 1 . . . . 29 Q HA . 17090 1 368 . 1 1 29 29 GLN HB2 H 1 2.313 0.024 . 2 . . . . 29 Q HB2 . 17090 1 369 . 1 1 29 29 GLN HB3 H 1 2.203 0.024 . 2 . . . . 29 Q HB3 . 17090 1 370 . 1 1 29 29 GLN HE21 H 1 7.280 0.024 . 2 . . . . 29 Q HE21 . 17090 1 371 . 1 1 29 29 GLN HE22 H 1 6.839 0.024 . 2 . . . . 29 Q HE22 . 17090 1 372 . 1 1 29 29 GLN HG2 H 1 2.426 0.024 . 2 . . . . 29 Q HG2 . 17090 1 373 . 1 1 29 29 GLN HG3 H 1 2.723 0.024 . 2 . . . . 29 Q HG3 . 17090 1 374 . 1 1 29 29 GLN C C 13 179.956 0.14 . 1 . . . . 29 Q C . 17090 1 375 . 1 1 29 29 GLN CA C 13 58.895 0.14 . 1 . . . . 29 Q CA . 17090 1 376 . 1 1 29 29 GLN CB C 13 28.910 0.14 . 1 . . . . 29 Q CB . 17090 1 377 . 1 1 29 29 GLN CG C 13 34.531 0.14 . 1 . . . . 29 Q CG . 17090 1 378 . 1 1 29 29 GLN N N 15 117.212 0.14 . 1 . . . . 29 Q N . 17090 1 379 . 1 1 29 29 GLN NE2 N 15 109.982 0.14 . 1 . . . . 29 Q NE2 . 17090 1 380 . 1 1 30 30 ALA H H 1 7.835 0.024 . 1 . . . . 30 A H . 17090 1 381 . 1 1 30 30 ALA HA H 1 3.842 0.024 . 1 . . . . 30 A HA . 17090 1 382 . 1 1 30 30 ALA HB1 H 1 0.856 0.024 . 1 . . . . 30 A QB . 17090 1 383 . 1 1 30 30 ALA HB2 H 1 0.856 0.024 . 1 . . . . 30 A QB . 17090 1 384 . 1 1 30 30 ALA HB3 H 1 0.856 0.024 . 1 . . . . 30 A QB . 17090 1 385 . 1 1 30 30 ALA C C 13 179.011 0.14 . 1 . . . . 30 A C . 17090 1 386 . 1 1 30 30 ALA CA C 13 55.201 0.14 . 1 . . . . 30 A CA . 17090 1 387 . 1 1 30 30 ALA CB C 13 17.952 0.14 . 1 . . . . 30 A CB . 17090 1 388 . 1 1 30 30 ALA N N 15 125.144 0.14 . 1 . . . . 30 A N . 17090 1 389 . 1 1 31 31 LEU H H 1 8.379 0.024 . 1 . . . . 31 L H . 17090 1 390 . 1 1 31 31 LEU HA H 1 4.074 0.024 . 1 . . . . 31 L HA . 17090 1 391 . 1 1 31 31 LEU HB2 H 1 1.993 0.024 . 2 . . . . 31 L HB2 . 17090 1 392 . 1 1 31 31 LEU HB3 H 1 1.123 0.024 . 2 . . . . 31 L HB3 . 17090 1 393 . 1 1 31 31 LEU HD11 H 1 -0.276 0.024 . 2 . . . . 31 L QD1 . 17090 1 394 . 1 1 31 31 LEU HD12 H 1 -0.276 0.024 . 2 . . . . 31 L QD1 . 17090 1 395 . 1 1 31 31 LEU HD13 H 1 -0.276 0.024 . 2 . . . . 31 L QD1 . 17090 1 396 . 1 1 31 31 LEU HD21 H 1 -0.071 0.024 . 2 . . . . 31 L QD2 . 17090 1 397 . 1 1 31 31 LEU HD22 H 1 -0.071 0.024 . 2 . . . . 31 L QD2 . 17090 1 398 . 1 1 31 31 LEU HD23 H 1 -0.071 0.024 . 2 . . . . 31 L QD2 . 17090 1 399 . 1 1 31 31 LEU HG H 1 1.091 0.024 . 1 . . . . 31 L HG . 17090 1 400 . 1 1 31 31 LEU CA C 13 56.144 0.14 . 1 . . . . 31 L CA . 17090 1 401 . 1 1 31 31 LEU CB C 13 43.981 0.14 . 1 . . . . 31 L CB . 17090 1 402 . 1 1 31 31 LEU CD1 C 13 25.847 0.14 . 2 . . . . 31 L CD1 . 17090 1 403 . 1 1 31 31 LEU CD2 C 13 22.343 0.14 . 2 . . . . 31 L CD2 . 17090 1 404 . 1 1 31 31 LEU CG C 13 25.800 0.14 . 1 . . . . 31 L CG . 17090 1 405 . 1 1 31 31 LEU N N 15 117.485 0.14 . 1 . . . . 31 L N . 17090 1 406 . 1 1 32 32 GLY H H 1 7.483 0.024 . 1 . . . . 32 G H . 17090 1 407 . 1 1 32 32 GLY HA2 H 1 3.515 0.024 . 2 . . . . 32 G HA2 . 17090 1 408 . 1 1 32 32 GLY HA3 H 1 4.145 0.024 . 2 . . . . 32 G HA3 . 17090 1 409 . 1 1 32 32 GLY C C 13 174.191 0.14 . 1 . . . . 32 G C . 17090 1 410 . 1 1 32 32 GLY CA C 13 45.033 0.14 . 1 . . . . 32 G CA . 17090 1 411 . 1 1 32 32 GLY N N 15 103.504 0.14 . 1 . . . . 32 G N . 17090 1 412 . 1 1 33 33 TYR H H 1 7.849 0.024 . 1 . . . . 33 Y H . 17090 1 413 . 1 1 33 33 TYR HA H 1 3.976 0.024 . 1 . . . . 33 Y HA . 17090 1 414 . 1 1 33 33 TYR HB2 H 1 2.806 0.024 . 2 . . . . 33 Y HB2 . 17090 1 415 . 1 1 33 33 TYR HB3 H 1 2.471 0.024 . 2 . . . . 33 Y HB3 . 17090 1 416 . 1 1 33 33 TYR HD1 H 1 6.783 0.024 . 3 . . . . 33 Y QD . 17090 1 417 . 1 1 33 33 TYR HD2 H 1 6.783 0.024 . 3 . . . . 33 Y QD . 17090 1 418 . 1 1 33 33 TYR HE1 H 1 6.220 0.024 . 3 . . . . 33 Y QE . 17090 1 419 . 1 1 33 33 TYR HE2 H 1 6.220 0.024 . 3 . . . . 33 Y QE . 17090 1 420 . 1 1 33 33 TYR C C 13 176.414 0.14 . 1 . . . . 33 Y C . 17090 1 421 . 1 1 33 33 TYR CA C 13 60.732 0.14 . 1 . . . . 33 Y CA . 17090 1 422 . 1 1 33 33 TYR CB C 13 39.087 0.14 . 1 . . . . 33 Y CB . 17090 1 423 . 1 1 33 33 TYR CE1 C 13 117.569 0.14 . 3 . . . . 33 Y CE1 . 17090 1 424 . 1 1 33 33 TYR N N 15 120.901 0.14 . 1 . . . . 33 Y N . 17090 1 425 . 1 1 34 34 VAL H H 1 8.025 0.024 . 1 . . . . 34 V H . 17090 1 426 . 1 1 34 34 VAL HA H 1 4.562 0.024 . 1 . . . . 34 V HA . 17090 1 427 . 1 1 34 34 VAL HB H 1 1.957 0.024 . 1 . . . . 34 V HB . 17090 1 428 . 1 1 34 34 VAL HG11 H 1 0.915 0.024 . 2 . . . . 34 V QG1 . 17090 1 429 . 1 1 34 34 VAL HG12 H 1 0.915 0.024 . 2 . . . . 34 V QG1 . 17090 1 430 . 1 1 34 34 VAL HG13 H 1 0.915 0.024 . 2 . . . . 34 V QG1 . 17090 1 431 . 1 1 34 34 VAL HG21 H 1 0.978 0.024 . 2 . . . . 34 V QG2 . 17090 1 432 . 1 1 34 34 VAL HG22 H 1 0.978 0.024 . 2 . . . . 34 V QG2 . 17090 1 433 . 1 1 34 34 VAL HG23 H 1 0.978 0.024 . 2 . . . . 34 V QG2 . 17090 1 434 . 1 1 34 34 VAL C C 13 173.714 0.14 . 1 . . . . 34 V C . 17090 1 435 . 1 1 34 34 VAL CA C 13 61.909 0.14 . 1 . . . . 34 V CA . 17090 1 436 . 1 1 34 34 VAL CB C 13 36.895 0.14 . 1 . . . . 34 V CB . 17090 1 437 . 1 1 34 34 VAL CG1 C 13 21.228 0.14 . 2 . . . . 34 V CG1 . 17090 1 438 . 1 1 34 34 VAL CG2 C 13 21.793 0.14 . 2 . . . . 34 V CG2 . 17090 1 439 . 1 1 34 34 VAL N N 15 122.044 0.14 . 1 . . . . 34 V N . 17090 1 440 . 1 1 35 35 TRP H H 1 9.125 0.024 . 1 . . . . 35 W H . 17090 1 441 . 1 1 35 35 TRP HA H 1 4.107 0.024 . 1 . . . . 35 W HA . 17090 1 442 . 1 1 35 35 TRP HB2 H 1 2.660 0.024 . 2 . . . . 35 W HB2 . 17090 1 443 . 1 1 35 35 TRP HB3 H 1 1.866 0.024 . 2 . . . . 35 W HB3 . 17090 1 444 . 1 1 35 35 TRP HD1 H 1 6.746 0.024 . 1 . . . . 35 W HD1 . 17090 1 445 . 1 1 35 35 TRP HE1 H 1 10.015 0.024 . 1 . . . . 35 W HE1 . 17090 1 446 . 1 1 35 35 TRP HE3 H 1 6.182 0.024 . 1 . . . . 35 W HE3 . 17090 1 447 . 1 1 35 35 TRP HH2 H 1 6.684 0.024 . 1 . . . . 35 W HH2 . 17090 1 448 . 1 1 35 35 TRP HZ2 H 1 7.106 0.024 . 1 . . . . 35 W HZ2 . 17090 1 449 . 1 1 35 35 TRP C C 13 174.018 0.14 . 1 . . . . 35 W C . 17090 1 450 . 1 1 35 35 TRP CA C 13 56.342 0.14 . 1 . . . . 35 W CA . 17090 1 451 . 1 1 35 35 TRP CB C 13 29.068 0.14 . 1 . . . . 35 W CB . 17090 1 452 . 1 1 35 35 TRP CD1 C 13 127.063 0.14 . 1 . . . . 35 W CD1 . 17090 1 453 . 1 1 35 35 TRP CE3 C 13 120.654 0.14 . 1 . . . . 35 W CE3 . 17090 1 454 . 1 1 35 35 TRP CH2 C 13 124.133 0.14 . 1 . . . . 35 W CH2 . 17090 1 455 . 1 1 35 35 TRP CZ2 C 13 113.469 0.14 . 1 . . . . 35 W CZ2 . 17090 1 456 . 1 1 35 35 TRP N N 15 130.919 0.14 . 1 . . . . 35 W N . 17090 1 457 . 1 1 35 35 TRP NE1 N 15 128.313 0.14 . 1 . . . . 35 W NE1 . 17090 1 458 . 1 1 36 36 ASP H H 1 8.128 0.024 . 1 . . . . 36 D H . 17090 1 459 . 1 1 36 36 ASP HA H 1 4.362 0.024 . 1 . . . . 36 D HA . 17090 1 460 . 1 1 36 36 ASP HB2 H 1 1.901 0.024 . 2 . . . . 36 D HB2 . 17090 1 461 . 1 1 36 36 ASP HB3 H 1 2.792 0.024 . 2 . . . . 36 D HB3 . 17090 1 462 . 1 1 36 36 ASP C C 13 174.734 0.14 . 1 . . . . 36 D C . 17090 1 463 . 1 1 36 36 ASP CA C 13 52.188 0.14 . 1 . . . . 36 D CA . 17090 1 464 . 1 1 36 36 ASP CB C 13 42.230 0.14 . 1 . . . . 36 D CB . 17090 1 465 . 1 1 36 36 ASP N N 15 129.727 0.14 . 1 . . . . 36 D N . 17090 1 466 . 1 1 37 37 GLU H H 1 8.282 0.024 . 1 . . . . 37 E H . 17090 1 467 . 1 1 37 37 GLU HA H 1 3.710 0.024 . 1 . . . . 37 E HA . 17090 1 468 . 1 1 37 37 GLU HB2 H 1 2.043 0.024 . 2 . . . . 37 E HB2 . 17090 1 469 . 1 1 37 37 GLU HB3 H 1 1.939 0.024 . 2 . . . . 37 E HB3 . 17090 1 470 . 1 1 37 37 GLU HG2 H 1 2.305 0.024 . 2 . . . . 37 E QG . 17090 1 471 . 1 1 37 37 GLU HG3 H 1 2.305 0.024 . 2 . . . . 37 E QG . 17090 1 472 . 1 1 37 37 GLU C C 13 177.616 0.14 . 1 . . . . 37 E C . 17090 1 473 . 1 1 37 37 GLU CA C 13 58.339 0.14 . 1 . . . . 37 E CA . 17090 1 474 . 1 1 37 37 GLU CB C 13 30.051 0.14 . 1 . . . . 37 E CB . 17090 1 475 . 1 1 37 37 GLU CG C 13 35.921 0.14 . 1 . . . . 37 E CG . 17090 1 476 . 1 1 37 37 GLU N N 15 124.853 0.14 . 1 . . . . 37 E N . 17090 1 477 . 1 1 38 38 ALA H H 1 7.914 0.024 . 1 . . . . 38 A H . 17090 1 478 . 1 1 38 38 ALA HA H 1 4.035 0.024 . 1 . . . . 38 A HA . 17090 1 479 . 1 1 38 38 ALA HB1 H 1 1.359 0.024 . 1 . . . . 38 A QB . 17090 1 480 . 1 1 38 38 ALA HB2 H 1 1.359 0.024 . 1 . . . . 38 A QB . 17090 1 481 . 1 1 38 38 ALA HB3 H 1 1.359 0.024 . 1 . . . . 38 A QB . 17090 1 482 . 1 1 38 38 ALA C C 13 179.512 0.14 . 1 . . . . 38 A C . 17090 1 483 . 1 1 38 38 ALA CA C 13 54.584 0.14 . 1 . . . . 38 A CA . 17090 1 484 . 1 1 38 38 ALA CB C 13 18.459 0.14 . 1 . . . . 38 A CB . 17090 1 485 . 1 1 38 38 ALA N N 15 121.068 0.14 . 1 . . . . 38 A N . 17090 1 486 . 1 1 39 39 GLN H H 1 7.437 0.024 . 1 . . . . 39 Q H . 17090 1 487 . 1 1 39 39 GLN HA H 1 4.136 0.024 . 1 . . . . 39 Q HA . 17090 1 488 . 1 1 39 39 GLN HB2 H 1 2.023 0.024 . 2 . . . . 39 Q HB2 . 17090 1 489 . 1 1 39 39 GLN HB3 H 1 1.425 0.024 . 2 . . . . 39 Q HB3 . 17090 1 490 . 1 1 39 39 GLN HE21 H 1 7.397 0.024 . 2 . . . . 39 Q HE21 . 17090 1 491 . 1 1 39 39 GLN HE22 H 1 6.664 0.024 . 2 . . . . 39 Q HE22 . 17090 1 492 . 1 1 39 39 GLN HG2 H 1 2.018 0.024 . 2 . . . . 39 Q HG2 . 17090 1 493 . 1 1 39 39 GLN HG3 H 1 2.200 0.024 . 2 . . . . 39 Q HG3 . 17090 1 494 . 1 1 39 39 GLN C C 13 174.486 0.14 . 1 . . . . 39 Q C . 17090 1 495 . 1 1 39 39 GLN CA C 13 54.817 0.14 . 1 . . . . 39 Q CA . 17090 1 496 . 1 1 39 39 GLN CB C 13 30.445 0.14 . 1 . . . . 39 Q CB . 17090 1 497 . 1 1 39 39 GLN CG C 13 34.549 0.14 . 1 . . . . 39 Q CG . 17090 1 498 . 1 1 39 39 GLN N N 15 114.262 0.14 . 1 . . . . 39 Q N . 17090 1 499 . 1 1 39 39 GLN NE2 N 15 111.998 0.14 . 1 . . . . 39 Q NE2 . 17090 1 500 . 1 1 40 40 SER H H 1 7.489 0.024 . 1 . . . . 40 S H . 17090 1 501 . 1 1 40 40 SER HA H 1 3.202 0.024 . 1 . . . . 40 S HA . 17090 1 502 . 1 1 40 40 SER HB2 H 1 3.954 0.024 . 2 . . . . 40 S HB2 . 17090 1 503 . 1 1 40 40 SER HB3 H 1 3.776 0.024 . 2 . . . . 40 S HB3 . 17090 1 504 . 1 1 40 40 SER C C 13 172.588 0.14 . 1 . . . . 40 S C . 17090 1 505 . 1 1 40 40 SER CA C 13 57.996 0.14 . 1 . . . . 40 S CA . 17090 1 506 . 1 1 40 40 SER CB C 13 61.344 0.14 . 1 . . . . 40 S CB . 17090 1 507 . 1 1 40 40 SER N N 15 115.808 0.14 . 1 . . . . 40 S N . 17090 1 508 . 1 1 41 41 CYS H H 1 6.462 0.024 . 1 . . . . 41 C H . 17090 1 509 . 1 1 41 41 CYS HA H 1 4.450 0.024 . 1 . . . . 41 C HA . 17090 1 510 . 1 1 41 41 CYS HB2 H 1 2.944 0.024 . 2 . . . . 41 C HB2 . 17090 1 511 . 1 1 41 41 CYS HB3 H 1 2.569 0.024 . 2 . . . . 41 C HB3 . 17090 1 512 . 1 1 41 41 CYS C C 13 170.901 0.14 . 1 . . . . 41 C C . 17090 1 513 . 1 1 41 41 CYS CA C 13 55.078 0.14 . 1 . . . . 41 C CA . 17090 1 514 . 1 1 41 41 CYS CB C 13 30.954 0.14 . 1 . . . . 41 C CB . 17090 1 515 . 1 1 41 41 CYS N N 15 112.394 0.14 . 1 . . . . 41 C N . 17090 1 516 . 1 1 42 42 TRP H H 1 8.804 0.024 . 1 . . . . 42 W H . 17090 1 517 . 1 1 42 42 TRP HA H 1 4.888 0.024 . 1 . . . . 42 W HA . 17090 1 518 . 1 1 42 42 TRP HB2 H 1 3.238 0.024 . 2 . . . . 42 W HB2 . 17090 1 519 . 1 1 42 42 TRP HB3 H 1 3.053 0.024 . 2 . . . . 42 W HB3 . 17090 1 520 . 1 1 42 42 TRP HD1 H 1 7.429 0.024 . 1 . . . . 42 W HD1 . 17090 1 521 . 1 1 42 42 TRP HE1 H 1 10.051 0.024 . 1 . . . . 42 W HE1 . 17090 1 522 . 1 1 42 42 TRP HE3 H 1 7.374 0.024 . 1 . . . . 42 W HE3 . 17090 1 523 . 1 1 42 42 TRP HH2 H 1 7.242 0.024 . 1 . . . . 42 W HH2 . 17090 1 524 . 1 1 42 42 TRP HZ2 H 1 7.089 0.024 . 1 . . . . 42 W HZ2 . 17090 1 525 . 1 1 42 42 TRP HZ3 H 1 6.959 0.024 . 1 . . . . 42 W HZ3 . 17090 1 526 . 1 1 42 42 TRP C C 13 176.512 0.14 . 1 . . . . 42 W C . 17090 1 527 . 1 1 42 42 TRP CA C 13 57.085 0.14 . 1 . . . . 42 W CA . 17090 1 528 . 1 1 42 42 TRP CB C 13 30.322 0.14 . 1 . . . . 42 W CB . 17090 1 529 . 1 1 42 42 TRP CD1 C 13 127.296 0.14 . 1 . . . . 42 W CD1 . 17090 1 530 . 1 1 42 42 TRP CE3 C 13 119.339 0.14 . 1 . . . . 42 W CE3 . 17090 1 531 . 1 1 42 42 TRP CH2 C 13 125.214 0.14 . 1 . . . . 42 W CH2 . 17090 1 532 . 1 1 42 42 TRP CZ2 C 13 115.691 0.14 . 1 . . . . 42 W CZ2 . 17090 1 533 . 1 1 42 42 TRP CZ3 C 13 123.697 0.14 . 1 . . . . 42 W CZ3 . 17090 1 534 . 1 1 42 42 TRP N N 15 119.933 0.14 . 1 . . . . 42 W N . 17090 1 535 . 1 1 42 42 TRP NE1 N 15 130.280 0.14 . 1 . . . . 42 W NE1 . 17090 1 536 . 1 1 43 43 LYS H H 1 10.043 0.024 . 1 . . . . 43 K H . 17090 1 537 . 1 1 43 43 LYS HA H 1 4.821 0.024 . 1 . . . . 43 K HA . 17090 1 538 . 1 1 43 43 LYS HB2 H 1 2.029 0.024 . 2 . . . . 43 K HB2 . 17090 1 539 . 1 1 43 43 LYS HB3 H 1 2.008 0.024 . 2 . . . . 43 K HB3 . 17090 1 540 . 1 1 43 43 LYS HD2 H 1 1.630 0.024 . 2 . . . . 43 K QD . 17090 1 541 . 1 1 43 43 LYS HD3 H 1 1.630 0.024 . 2 . . . . 43 K QD . 17090 1 542 . 1 1 43 43 LYS HE2 H 1 2.811 0.024 . 2 . . . . 43 K HE2 . 17090 1 543 . 1 1 43 43 LYS HE3 H 1 2.925 0.024 . 2 . . . . 43 K HE3 . 17090 1 544 . 1 1 43 43 LYS HG2 H 1 1.506 0.024 . 2 . . . . 43 K HG2 . 17090 1 545 . 1 1 43 43 LYS HG3 H 1 1.402 0.024 . 2 . . . . 43 K HG3 . 17090 1 546 . 1 1 43 43 LYS C C 13 179.217 0.14 . 1 . . . . 43 K C . 17090 1 547 . 1 1 43 43 LYS CA C 13 55.451 0.14 . 1 . . . . 43 K CA . 17090 1 548 . 1 1 43 43 LYS CB C 13 33.406 0.14 . 1 . . . . 43 K CB . 17090 1 549 . 1 1 43 43 LYS CD C 13 28.899 0.14 . 1 . . . . 43 K CD . 17090 1 550 . 1 1 43 43 LYS CE C 13 41.837 0.14 . 1 . . . . 43 K CE . 17090 1 551 . 1 1 43 43 LYS CG C 13 24.851 0.14 . 1 . . . . 43 K CG . 17090 1 552 . 1 1 43 43 LYS N N 15 124.607 0.14 . 1 . . . . 43 K N . 17090 1 553 . 1 1 44 44 THR H H 1 8.999 0.024 . 1 . . . . 44 T H . 17090 1 554 . 1 1 44 44 THR HA H 1 4.415 0.024 . 1 . . . . 44 T HA . 17090 1 555 . 1 1 44 44 THR HB H 1 4.339 0.024 . 1 . . . . 44 T HB . 17090 1 556 . 1 1 44 44 THR HG21 H 1 1.242 0.024 . 1 . . . . 44 T QG2 . 17090 1 557 . 1 1 44 44 THR HG22 H 1 1.242 0.024 . 1 . . . . 44 T QG2 . 17090 1 558 . 1 1 44 44 THR HG23 H 1 1.242 0.024 . 1 . . . . 44 T QG2 . 17090 1 559 . 1 1 44 44 THR CA C 13 60.990 0.14 . 1 . . . . 44 T CA . 17090 1 560 . 1 1 44 44 THR CB C 13 64.811 0.14 . 1 . . . . 44 T CB . 17090 1 561 . 1 1 44 44 THR CG2 C 13 22.394 0.14 . 1 . . . . 44 T CG2 . 17090 1 562 . 1 1 44 44 THR N N 15 111.831 0.14 . 1 . . . . 44 T N . 17090 1 563 . 1 1 45 45 ASP H H 1 8.390 0.024 . 1 . . . . 45 D H . 17090 1 564 . 1 1 45 45 ASP HA H 1 4.150 0.024 . 1 . . . . 45 D HA . 17090 1 565 . 1 1 45 45 ASP HB2 H 1 2.627 0.024 . 2 . . . . 45 D HB2 . 17090 1 566 . 1 1 45 45 ASP HB3 H 1 2.494 0.024 . 2 . . . . 45 D HB3 . 17090 1 567 . 1 1 45 45 ASP C C 13 176.705 0.14 . 1 . . . . 45 D C . 17090 1 568 . 1 1 45 45 ASP CA C 13 57.300 0.14 . 1 . . . . 45 D CA . 17090 1 569 . 1 1 45 45 ASP CB C 13 40.510 0.14 . 1 . . . . 45 D CB . 17090 1 570 . 1 1 45 45 ASP N N 15 121.411 0.14 . 1 . . . . 45 D N . 17090 1 571 . 1 1 46 46 LEU H H 1 8.600 0.024 . 1 . . . . 46 L H . 17090 1 572 . 1 1 46 46 LEU HA H 1 4.400 0.024 . 1 . . . . 46 L HA . 17090 1 573 . 1 1 46 46 LEU HB2 H 1 1.835 0.024 . 2 . . . . 46 L HB2 . 17090 1 574 . 1 1 46 46 LEU HB3 H 1 1.694 0.024 . 2 . . . . 46 L HB3 . 17090 1 575 . 1 1 46 46 LEU HD11 H 1 0.867 0.024 . 2 . . . . 46 L QD1 . 17090 1 576 . 1 1 46 46 LEU HD12 H 1 0.867 0.024 . 2 . . . . 46 L QD1 . 17090 1 577 . 1 1 46 46 LEU HD13 H 1 0.867 0.024 . 2 . . . . 46 L QD1 . 17090 1 578 . 1 1 46 46 LEU HD21 H 1 0.770 0.024 . 2 . . . . 46 L QD2 . 17090 1 579 . 1 1 46 46 LEU HD22 H 1 0.770 0.024 . 2 . . . . 46 L QD2 . 17090 1 580 . 1 1 46 46 LEU HD23 H 1 0.770 0.024 . 2 . . . . 46 L QD2 . 17090 1 581 . 1 1 46 46 LEU HG H 1 1.553 0.024 . 1 . . . . 46 L HG . 17090 1 582 . 1 1 46 46 LEU C C 13 176.152 0.14 . 1 . . . . 46 L C . 17090 1 583 . 1 1 46 46 LEU CA C 13 54.093 0.14 . 1 . . . . 46 L CA . 17090 1 584 . 1 1 46 46 LEU CB C 13 41.391 0.14 . 1 . . . . 46 L CB . 17090 1 585 . 1 1 46 46 LEU CD1 C 13 25.620 0.14 . 2 . . . . 46 L CD1 . 17090 1 586 . 1 1 46 46 LEU CD2 C 13 22.505 0.14 . 2 . . . . 46 L CD2 . 17090 1 587 . 1 1 46 46 LEU CG C 13 27.013 0.14 . 1 . . . . 46 L CG . 17090 1 588 . 1 1 46 46 LEU N N 15 116.226 0.14 . 1 . . . . 46 L N . 17090 1 589 . 1 1 47 47 VAL H H 1 7.260 0.024 . 1 . . . . 47 V H . 17090 1 590 . 1 1 47 47 VAL HA H 1 4.045 0.024 . 1 . . . . 47 V HA . 17090 1 591 . 1 1 47 47 VAL HB H 1 1.633 0.024 . 1 . . . . 47 V HB . 17090 1 592 . 1 1 47 47 VAL HG11 H 1 -0.207 0.024 . 2 . . . . 47 V QG1 . 17090 1 593 . 1 1 47 47 VAL HG12 H 1 -0.207 0.024 . 2 . . . . 47 V QG1 . 17090 1 594 . 1 1 47 47 VAL HG13 H 1 -0.207 0.024 . 2 . . . . 47 V QG1 . 17090 1 595 . 1 1 47 47 VAL HG21 H 1 0.802 0.024 . 2 . . . . 47 V QG2 . 17090 1 596 . 1 1 47 47 VAL HG22 H 1 0.802 0.024 . 2 . . . . 47 V QG2 . 17090 1 597 . 1 1 47 47 VAL HG23 H 1 0.802 0.024 . 2 . . . . 47 V QG2 . 17090 1 598 . 1 1 47 47 VAL C C 13 175.370 0.14 . 1 . . . . 47 V C . 17090 1 599 . 1 1 47 47 VAL CA C 13 61.400 0.14 . 1 . . . . 47 V CA . 17090 1 600 . 1 1 47 47 VAL CB C 13 32.280 0.14 . 1 . . . . 47 V CB . 17090 1 601 . 1 1 47 47 VAL CG1 C 13 20.725 0.14 . 2 . . . . 47 V CG1 . 17090 1 602 . 1 1 47 47 VAL CG2 C 13 22.564 0.14 . 2 . . . . 47 V CG2 . 17090 1 603 . 1 1 47 47 VAL N N 15 122.679 0.14 . 1 . . . . 47 V N . 17090 1 604 . 1 1 48 48 ALA H H 1 9.252 0.024 . 1 . . . . 48 A H . 17090 1 605 . 1 1 48 48 ALA HA H 1 4.546 0.024 . 1 . . . . 48 A HA . 17090 1 606 . 1 1 48 48 ALA HB1 H 1 1.719 0.024 . 1 . . . . 48 A QB . 17090 1 607 . 1 1 48 48 ALA HB2 H 1 1.719 0.024 . 1 . . . . 48 A QB . 17090 1 608 . 1 1 48 48 ALA HB3 H 1 1.719 0.024 . 1 . . . . 48 A QB . 17090 1 609 . 1 1 48 48 ALA CA C 13 51.572 0.14 . 1 . . . . 48 A CA . 17090 1 610 . 1 1 48 48 ALA CB C 13 18.123 0.14 . 1 . . . . 48 A CB . 17090 1 611 . 1 1 48 48 ALA N N 15 131.487 0.14 . 1 . . . . 48 A N . 17090 1 612 . 1 1 49 49 PRO HA H 1 4.076 0.024 . 1 . . . . 49 P HA . 17090 1 613 . 1 1 49 49 PRO HB2 H 1 2.308 0.024 . 2 . . . . 49 P HB2 . 17090 1 614 . 1 1 49 49 PRO HB3 H 1 1.933 0.024 . 2 . . . . 49 P HB3 . 17090 1 615 . 1 1 49 49 PRO HD2 H 1 3.863 0.024 . 2 . . . . 49 P HD2 . 17090 1 616 . 1 1 49 49 PRO HD3 H 1 3.923 0.024 . 2 . . . . 49 P HD3 . 17090 1 617 . 1 1 49 49 PRO HG2 H 1 2.203 0.024 . 2 . . . . 49 P HG2 . 17090 1 618 . 1 1 49 49 PRO HG3 H 1 1.991 0.024 . 2 . . . . 49 P HG3 . 17090 1 619 . 1 1 49 49 PRO C C 13 177.256 0.14 . 1 . . . . 49 P C . 17090 1 620 . 1 1 49 49 PRO CA C 13 66.201 0.14 . 1 . . . . 49 P CA . 17090 1 621 . 1 1 49 49 PRO CB C 13 32.179 0.14 . 1 . . . . 49 P CB . 17090 1 622 . 1 1 49 49 PRO CD C 13 50.814 0.14 . 1 . . . . 49 P CD . 17090 1 623 . 1 1 49 49 PRO CG C 13 27.832 0.14 . 1 . . . . 49 P CG . 17090 1 624 . 1 1 50 50 GLU H H 1 9.199 0.024 . 1 . . . . 50 E H . 17090 1 625 . 1 1 50 50 GLU HA H 1 3.965 0.024 . 1 . . . . 50 E HA . 17090 1 626 . 1 1 50 50 GLU HB2 H 1 1.839 0.024 . 2 . . . . 50 E QB . 17090 1 627 . 1 1 50 50 GLU HB3 H 1 1.839 0.024 . 2 . . . . 50 E QB . 17090 1 628 . 1 1 50 50 GLU HG2 H 1 2.080 0.024 . 2 . . . . 50 E HG2 . 17090 1 629 . 1 1 50 50 GLU HG3 H 1 2.036 0.024 . 2 . . . . 50 E HG3 . 17090 1 630 . 1 1 50 50 GLU C C 13 177.668 0.14 . 1 . . . . 50 E C . 17090 1 631 . 1 1 50 50 GLU CA C 13 59.093 0.14 . 1 . . . . 50 E CA . 17090 1 632 . 1 1 50 50 GLU CB C 13 28.548 0.14 . 1 . . . . 50 E CB . 17090 1 633 . 1 1 50 50 GLU CG C 13 36.245 0.14 . 1 . . . . 50 E CG . 17090 1 634 . 1 1 50 50 GLU N N 15 114.212 0.14 . 1 . . . . 50 E N . 17090 1 635 . 1 1 51 51 TRP H H 1 7.671 0.024 . 1 . . . . 51 W H . 17090 1 636 . 1 1 51 51 TRP HA H 1 4.383 0.024 . 1 . . . . 51 W HA . 17090 1 637 . 1 1 51 51 TRP HB2 H 1 3.436 0.024 . 2 . . . . 51 W HB2 . 17090 1 638 . 1 1 51 51 TRP HB3 H 1 3.067 0.024 . 2 . . . . 51 W HB3 . 17090 1 639 . 1 1 51 51 TRP HD1 H 1 7.144 0.024 . 1 . . . . 51 W HD1 . 17090 1 640 . 1 1 51 51 TRP HE1 H 1 10.330 0.024 . 1 . . . . 51 W HE1 . 17090 1 641 . 1 1 51 51 TRP HE3 H 1 7.575 0.024 . 1 . . . . 51 W HE3 . 17090 1 642 . 1 1 51 51 TRP HH2 H 1 6.998 0.024 . 1 . . . . 51 W HH2 . 17090 1 643 . 1 1 51 51 TRP HZ2 H 1 7.214 0.024 . 1 . . . . 51 W HZ2 . 17090 1 644 . 1 1 51 51 TRP HZ3 H 1 6.686 0.024 . 1 . . . . 51 W HZ3 . 17090 1 645 . 1 1 51 51 TRP C C 13 176.425 0.14 . 1 . . . . 51 W C . 17090 1 646 . 1 1 51 51 TRP CA C 13 60.373 0.14 . 1 . . . . 51 W CA . 17090 1 647 . 1 1 51 51 TRP CB C 13 30.228 0.14 . 1 . . . . 51 W CB . 17090 1 648 . 1 1 51 51 TRP CD1 C 13 126.954 0.14 . 1 . . . . 51 W CD1 . 17090 1 649 . 1 1 51 51 TRP CE3 C 13 120.116 0.14 . 1 . . . . 51 W CE3 . 17090 1 650 . 1 1 51 51 TRP CH2 C 13 121.690 0.14 . 1 . . . . 51 W CH2 . 17090 1 651 . 1 1 51 51 TRP CZ2 C 13 114.560 0.14 . 1 . . . . 51 W CZ2 . 17090 1 652 . 1 1 51 51 TRP CZ3 C 13 121.110 0.14 . 1 . . . . 51 W CZ3 . 17090 1 653 . 1 1 51 51 TRP N N 15 119.564 0.14 . 1 . . . . 51 W N . 17090 1 654 . 1 1 51 51 TRP NE1 N 15 129.090 0.14 . 1 . . . . 51 W NE1 . 17090 1 655 . 1 1 52 52 ARG H H 1 7.966 0.024 . 1 . . . . 52 R H . 17090 1 656 . 1 1 52 52 ARG HA H 1 3.858 0.024 . 1 . . . . 52 R HA . 17090 1 657 . 1 1 52 52 ARG HB2 H 1 1.714 0.024 . 2 . . . . 52 R HB2 . 17090 1 658 . 1 1 52 52 ARG HB3 H 1 1.464 0.024 . 2 . . . . 52 R HB3 . 17090 1 659 . 1 1 52 52 ARG HD2 H 1 3.204 0.024 . 2 . . . . 52 R HD2 . 17090 1 660 . 1 1 52 52 ARG HD3 H 1 3.035 0.024 . 2 . . . . 52 R HD3 . 17090 1 661 . 1 1 52 52 ARG HE H 1 6.937 0.024 . 1 . . . . 52 R HE . 17090 1 662 . 1 1 52 52 ARG HG2 H 1 1.617 0.024 . 2 . . . . 52 R HG2 . 17090 1 663 . 1 1 52 52 ARG HG3 H 1 1.415 0.024 . 2 . . . . 52 R HG3 . 17090 1 664 . 1 1 52 52 ARG C C 13 176.588 0.14 . 1 . . . . 52 R C . 17090 1 665 . 1 1 52 52 ARG CA C 13 58.886 0.14 . 1 . . . . 52 R CA . 17090 1 666 . 1 1 52 52 ARG CB C 13 30.178 0.14 . 1 . . . . 52 R CB . 17090 1 667 . 1 1 52 52 ARG CD C 13 43.832 0.14 . 1 . . . . 52 R CD . 17090 1 668 . 1 1 52 52 ARG CG C 13 26.964 0.14 . 1 . . . . 52 R CG . 17090 1 669 . 1 1 52 52 ARG N N 15 117.209 0.14 . 1 . . . . 52 R N . 17090 1 670 . 1 1 52 52 ARG NE N 15 84.452 0.14 . 1 . . . . 52 R NE . 17090 1 671 . 1 1 53 53 GLN H H 1 7.875 0.024 . 1 . . . . 53 Q H . 17090 1 672 . 1 1 53 53 GLN HA H 1 3.909 0.024 . 1 . . . . 53 Q HA . 17090 1 673 . 1 1 53 53 GLN HB2 H 1 1.986 0.024 . 2 . . . . 53 Q HB2 . 17090 1 674 . 1 1 53 53 GLN HB3 H 1 1.846 0.024 . 2 . . . . 53 Q HB3 . 17090 1 675 . 1 1 53 53 GLN HE21 H 1 7.318 0.024 . 2 . . . . 53 Q HE21 . 17090 1 676 . 1 1 53 53 GLN HE22 H 1 6.697 0.024 . 2 . . . . 53 Q HE22 . 17090 1 677 . 1 1 53 53 GLN HG2 H 1 2.242 0.024 . 2 . . . . 53 Q QG . 17090 1 678 . 1 1 53 53 GLN HG3 H 1 2.242 0.024 . 2 . . . . 53 Q QG . 17090 1 679 . 1 1 53 53 GLN C C 13 176.381 0.14 . 1 . . . . 53 Q C . 17090 1 680 . 1 1 53 53 GLN CA C 13 58.287 0.14 . 1 . . . . 53 Q CA . 17090 1 681 . 1 1 53 53 GLN CB C 13 28.394 0.14 . 1 . . . . 53 Q CB . 17090 1 682 . 1 1 53 53 GLN CG C 13 34.136 0.14 . 1 . . . . 53 Q CG . 17090 1 683 . 1 1 53 53 GLN N N 15 116.422 0.14 . 1 . . . . 53 Q N . 17090 1 684 . 1 1 53 53 GLN NE2 N 15 111.361 0.14 . 1 . . . . 53 Q NE2 . 17090 1 685 . 1 1 54 54 ASP H H 1 6.924 0.024 . 1 . . . . 54 D H . 17090 1 686 . 1 1 54 54 ASP HA H 1 4.274 0.024 . 1 . . . . 54 D HA . 17090 1 687 . 1 1 54 54 ASP HB2 H 1 2.015 0.024 . 2 . . . . 54 D HB2 . 17090 1 688 . 1 1 54 54 ASP HB3 H 1 1.861 0.024 . 2 . . . . 54 D HB3 . 17090 1 689 . 1 1 54 54 ASP C C 13 175.234 0.14 . 1 . . . . 54 D C . 17090 1 690 . 1 1 54 54 ASP CA C 13 55.449 0.14 . 1 . . . . 54 D CA . 17090 1 691 . 1 1 54 54 ASP CB C 13 42.686 0.14 . 1 . . . . 54 D CB . 17090 1 692 . 1 1 54 54 ASP N N 15 116.210 0.14 . 1 . . . . 54 D N . 17090 1 693 . 1 1 55 55 TYR H H 1 8.036 0.024 . 1 . . . . 55 Y H . 17090 1 694 . 1 1 55 55 TYR HA H 1 4.853 0.024 . 1 . . . . 55 Y HA . 17090 1 695 . 1 1 55 55 TYR HB2 H 1 3.098 0.024 . 2 . . . . 55 Y HB2 . 17090 1 696 . 1 1 55 55 TYR HB3 H 1 2.884 0.024 . 2 . . . . 55 Y HB3 . 17090 1 697 . 1 1 55 55 TYR HD1 H 1 7.045 0.024 . 3 . . . . 55 Y QD . 17090 1 698 . 1 1 55 55 TYR HD2 H 1 7.045 0.024 . 3 . . . . 55 Y QD . 17090 1 699 . 1 1 55 55 TYR HE1 H 1 6.574 0.024 . 3 . . . . 55 Y QE . 17090 1 700 . 1 1 55 55 TYR HE2 H 1 6.574 0.024 . 3 . . . . 55 Y QE . 17090 1 701 . 1 1 55 55 TYR CA C 13 55.990 0.14 . 1 . . . . 55 Y CA . 17090 1 702 . 1 1 55 55 TYR CB C 13 38.594 0.14 . 1 . . . . 55 Y CB . 17090 1 703 . 1 1 55 55 TYR CD1 C 13 133.831 0.14 . 3 . . . . 55 Y CD1 . 17090 1 704 . 1 1 55 55 TYR CE1 C 13 117.766 0.14 . 3 . . . . 55 Y CE1 . 17090 1 705 . 1 1 55 55 TYR N N 15 115.642 0.14 . 1 . . . . 55 Y N . 17090 1 706 . 1 1 56 56 PRO HA H 1 4.340 0.024 . 1 . . . . 56 P HA . 17090 1 707 . 1 1 56 56 PRO HB2 H 1 1.945 0.024 . 2 . . . . 56 P HB2 . 17090 1 708 . 1 1 56 56 PRO HB3 H 1 2.304 0.024 . 2 . . . . 56 P HB3 . 17090 1 709 . 1 1 56 56 PRO HD2 H 1 3.694 0.024 . 2 . . . . 56 P HD2 . 17090 1 710 . 1 1 56 56 PRO HD3 H 1 3.140 0.024 . 2 . . . . 56 P HD3 . 17090 1 711 . 1 1 56 56 PRO HG2 H 1 1.959 0.024 . 2 . . . . 56 P QG . 17090 1 712 . 1 1 56 56 PRO HG3 H 1 1.959 0.024 . 2 . . . . 56 P QG . 17090 1 713 . 1 1 56 56 PRO CA C 13 64.785 0.14 . 1 . . . . 56 P CA . 17090 1 714 . 1 1 56 56 PRO CB C 13 31.846 0.14 . 1 . . . . 56 P CB . 17090 1 715 . 1 1 56 56 PRO CD C 13 49.851 0.14 . 1 . . . . 56 P CD . 17090 1 716 . 1 1 56 56 PRO CG C 13 27.405 0.14 . 1 . . . . 56 P CG . 17090 1 717 . 1 1 57 57 GLU H H 1 6.997 0.024 . 1 . . . . 57 E H . 17090 1 718 . 1 1 57 57 GLU HA H 1 4.058 0.024 . 1 . . . . 57 E HA . 17090 1 719 . 1 1 57 57 GLU HB2 H 1 1.499 0.024 . 2 . . . . 57 E HB2 . 17090 1 720 . 1 1 57 57 GLU HB3 H 1 1.558 0.024 . 2 . . . . 57 E HB3 . 17090 1 721 . 1 1 57 57 GLU HG2 H 1 2.186 0.024 . 2 . . . . 57 E HG2 . 17090 1 722 . 1 1 57 57 GLU HG3 H 1 2.206 0.024 . 2 . . . . 57 E HG3 . 17090 1 723 . 1 1 57 57 GLU CA C 13 52.283 0.14 . 1 . . . . 57 E CA . 17090 1 724 . 1 1 57 57 GLU CB C 13 30.006 0.14 . 1 . . . . 57 E CB . 17090 1 725 . 1 1 57 57 GLU CG C 13 36.775 0.14 . 1 . . . . 57 E CG . 17090 1 726 . 1 1 57 57 GLU N N 15 112.847 0.14 . 1 . . . . 57 E N . 17090 1 727 . 1 1 58 58 PRO HA H 1 2.880 0.024 . 1 . . . . 58 P HA . 17090 1 728 . 1 1 58 58 PRO HB2 H 1 -1.501 0.024 . 2 . . . . 58 P HB2 . 17090 1 729 . 1 1 58 58 PRO HB3 H 1 -1.751 0.024 . 2 . . . . 58 P HB3 . 17090 1 730 . 1 1 58 58 PRO HD2 H 1 1.463 0.024 . 2 . . . . 58 P HD2 . 17090 1 731 . 1 1 58 58 PRO HD3 H 1 1.541 0.024 . 2 . . . . 58 P HD3 . 17090 1 732 . 1 1 58 58 PRO HG2 H 1 -1.224 0.024 . 2 . . . . 58 P HG2 . 17090 1 733 . 1 1 58 58 PRO HG3 H 1 -1.454 0.024 . 2 . . . . 58 P HG3 . 17090 1 734 . 1 1 58 58 PRO CA C 13 59.803 0.14 . 1 . . . . 58 P CA . 17090 1 735 . 1 1 58 58 PRO CB C 13 26.197 0.14 . 1 . . . . 58 P CB . 17090 1 736 . 1 1 58 58 PRO CD C 13 47.643 0.14 . 1 . . . . 58 P CD . 17090 1 737 . 1 1 58 58 PRO CG C 13 24.962 0.14 . 1 . . . . 58 P CG . 17090 1 738 . 1 1 59 59 PRO HA H 1 3.934 0.024 . 1 . . . . 59 P HA . 17090 1 739 . 1 1 59 59 PRO HB2 H 1 0.422 0.024 . 2 . . . . 59 P HB2 . 17090 1 740 . 1 1 59 59 PRO HB3 H 1 1.047 0.024 . 2 . . . . 59 P HB3 . 17090 1 741 . 1 1 59 59 PRO HD2 H 1 2.349 0.024 . 2 . . . . 59 P HD2 . 17090 1 742 . 1 1 59 59 PRO HD3 H 1 2.933 0.024 . 2 . . . . 59 P HD3 . 17090 1 743 . 1 1 59 59 PRO HG2 H 1 0.398 0.024 . 2 . . . . 59 P HG2 . 17090 1 744 . 1 1 59 59 PRO HG3 H 1 0.418 0.024 . 2 . . . . 59 P HG3 . 17090 1 745 . 1 1 59 59 PRO C C 13 173.799 0.14 . 1 . . . . 59 P C . 17090 1 746 . 1 1 59 59 PRO CA C 13 60.742 0.14 . 1 . . . . 59 P CA . 17090 1 747 . 1 1 59 59 PRO CB C 13 31.883 0.14 . 1 . . . . 59 P CB . 17090 1 748 . 1 1 59 59 PRO CD C 13 48.393 0.14 . 1 . . . . 59 P CD . 17090 1 749 . 1 1 59 59 PRO CG C 13 26.230 0.14 . 1 . . . . 59 P CG . 17090 1 750 . 1 1 60 60 ASP H H 1 8.081 0.024 . 1 . . . . 60 D H . 17090 1 751 . 1 1 60 60 ASP HA H 1 4.361 0.024 . 1 . . . . 60 D HA . 17090 1 752 . 1 1 60 60 ASP HB2 H 1 2.841 0.024 . 2 . . . . 60 D HB2 . 17090 1 753 . 1 1 60 60 ASP HB3 H 1 2.341 0.024 . 2 . . . . 60 D HB3 . 17090 1 754 . 1 1 60 60 ASP C C 13 175.195 0.14 . 1 . . . . 60 D C . 17090 1 755 . 1 1 60 60 ASP CA C 13 52.239 0.14 . 1 . . . . 60 D CA . 17090 1 756 . 1 1 60 60 ASP CB C 13 40.512 0.14 . 1 . . . . 60 D CB . 17090 1 757 . 1 1 60 60 ASP N N 15 118.139 0.14 . 1 . . . . 60 D N . 17090 1 758 . 1 1 61 61 PHE H H 1 7.678 0.024 . 1 . . . . 61 F H . 17090 1 759 . 1 1 61 61 PHE HA H 1 3.808 0.024 . 1 . . . . 61 F HA . 17090 1 760 . 1 1 61 61 PHE HB2 H 1 3.102 0.024 . 2 . . . . 61 F HB2 . 17090 1 761 . 1 1 61 61 PHE HB3 H 1 2.943 0.024 . 2 . . . . 61 F HB3 . 17090 1 762 . 1 1 61 61 PHE HD1 H 1 7.110 0.024 . 3 . . . . 61 F QD . 17090 1 763 . 1 1 61 61 PHE HD2 H 1 7.110 0.024 . 3 . . . . 61 F QD . 17090 1 764 . 1 1 61 61 PHE HE1 H 1 7.010 0.024 . 3 . . . . 61 F QE . 17090 1 765 . 1 1 61 61 PHE HE2 H 1 7.010 0.024 . 3 . . . . 61 F QE . 17090 1 766 . 1 1 61 61 PHE HZ H 1 6.329 0.024 . 1 . . . . 61 F HZ . 17090 1 767 . 1 1 61 61 PHE C C 13 175.238 0.14 . 1 . . . . 61 F C . 17090 1 768 . 1 1 61 61 PHE CA C 13 62.066 0.14 . 1 . . . . 61 F CA . 17090 1 769 . 1 1 61 61 PHE CB C 13 39.153 0.14 . 1 . . . . 61 F CB . 17090 1 770 . 1 1 61 61 PHE CD1 C 13 132.049 0.14 . 3 . . . . 61 F CD1 . 17090 1 771 . 1 1 61 61 PHE CE1 C 13 131.775 0.14 . 3 . . . . 61 F CE1 . 17090 1 772 . 1 1 61 61 PHE CZ C 13 129.134 0.14 . 1 . . . . 61 F CZ . 17090 1 773 . 1 1 61 61 PHE N N 15 123.995 0.14 . 1 . . . . 61 F N . 17090 1 774 . 1 1 62 62 ILE H H 1 7.870 0.024 . 1 . . . . 62 I H . 17090 1 775 . 1 1 62 62 ILE HA H 1 3.477 0.024 . 1 . . . . 62 I HA . 17090 1 776 . 1 1 62 62 ILE HB H 1 1.855 0.024 . 1 . . . . 62 I HB . 17090 1 777 . 1 1 62 62 ILE HD11 H 1 0.750 0.024 . 1 . . . . 62 I QD1 . 17090 1 778 . 1 1 62 62 ILE HD12 H 1 0.750 0.024 . 1 . . . . 62 I QD1 . 17090 1 779 . 1 1 62 62 ILE HD13 H 1 0.750 0.024 . 1 . . . . 62 I QD1 . 17090 1 780 . 1 1 62 62 ILE HG12 H 1 1.528 0.024 . 2 . . . . 62 I HG12 . 17090 1 781 . 1 1 62 62 ILE HG13 H 1 0.753 0.024 . 2 . . . . 62 I HG13 . 17090 1 782 . 1 1 62 62 ILE HG21 H 1 0.792 0.024 . 1 . . . . 62 I QG2 . 17090 1 783 . 1 1 62 62 ILE HG22 H 1 0.792 0.024 . 1 . . . . 62 I QG2 . 17090 1 784 . 1 1 62 62 ILE HG23 H 1 0.792 0.024 . 1 . . . . 62 I QG2 . 17090 1 785 . 1 1 62 62 ILE C C 13 177.157 0.14 . 1 . . . . 62 I C . 17090 1 786 . 1 1 62 62 ILE CA C 13 63.849 0.14 . 1 . . . . 62 I CA . 17090 1 787 . 1 1 62 62 ILE CB C 13 38.142 0.14 . 1 . . . . 62 I CB . 17090 1 788 . 1 1 62 62 ILE CD1 C 13 14.303 0.14 . 1 . . . . 62 I CD1 . 17090 1 789 . 1 1 62 62 ILE CG1 C 13 31.452 0.14 . 1 . . . . 62 I CG1 . 17090 1 790 . 1 1 62 62 ILE CG2 C 13 19.075 0.14 . 1 . . . . 62 I CG2 . 17090 1 791 . 1 1 62 62 ILE N N 15 117.093 0.14 . 1 . . . . 62 I N . 17090 1 792 . 1 1 63 63 ALA H H 1 7.492 0.024 . 1 . . . . 63 A H . 17090 1 793 . 1 1 63 63 ALA HA H 1 4.195 0.024 . 1 . . . . 63 A HA . 17090 1 794 . 1 1 63 63 ALA HB1 H 1 1.212 0.024 . 1 . . . . 63 A QB . 17090 1 795 . 1 1 63 63 ALA HB2 H 1 1.212 0.024 . 1 . . . . 63 A QB . 17090 1 796 . 1 1 63 63 ALA HB3 H 1 1.212 0.024 . 1 . . . . 63 A QB . 17090 1 797 . 1 1 63 63 ALA C C 13 177.685 0.14 . 1 . . . . 63 A C . 17090 1 798 . 1 1 63 63 ALA CA C 13 52.413 0.14 . 1 . . . . 63 A CA . 17090 1 799 . 1 1 63 63 ALA CB C 13 20.613 0.14 . 1 . . . . 63 A CB . 17090 1 800 . 1 1 63 63 ALA N N 15 122.842 0.14 . 1 . . . . 63 A N . 17090 1 801 . 1 1 64 64 SER H H 1 7.662 0.024 . 1 . . . . 64 S H . 17090 1 802 . 1 1 64 64 SER HA H 1 4.664 0.024 . 1 . . . . 64 S HA . 17090 1 803 . 1 1 64 64 SER HB2 H 1 3.851 0.024 . 2 . . . . 64 S HB2 . 17090 1 804 . 1 1 64 64 SER HB3 H 1 3.624 0.024 . 2 . . . . 64 S HB3 . 17090 1 805 . 1 1 64 64 SER C C 13 173.832 0.14 . 1 . . . . 64 S C . 17090 1 806 . 1 1 64 64 SER CA C 13 56.248 0.14 . 1 . . . . 64 S CA . 17090 1 807 . 1 1 64 64 SER CB C 13 62.874 0.14 . 1 . . . . 64 S CB . 17090 1 808 . 1 1 64 64 SER N N 15 112.479 0.14 . 1 . . . . 64 S N . 17090 1 809 . 1 1 65 65 ARG H H 1 9.125 0.024 . 1 . . . . 65 R H . 17090 1 810 . 1 1 65 65 ARG HA H 1 4.125 0.024 . 1 . . . . 65 R HA . 17090 1 811 . 1 1 65 65 ARG HB2 H 1 1.962 0.024 . 2 . . . . 65 R HB2 . 17090 1 812 . 1 1 65 65 ARG HB3 H 1 1.856 0.024 . 2 . . . . 65 R HB3 . 17090 1 813 . 1 1 65 65 ARG HD2 H 1 3.169 0.024 . 2 . . . . 65 R HD2 . 17090 1 814 . 1 1 65 65 ARG HD3 H 1 3.127 0.024 . 2 . . . . 65 R HD3 . 17090 1 815 . 1 1 65 65 ARG HG2 H 1 1.609 0.024 . 2 . . . . 65 R HG2 . 17090 1 816 . 1 1 65 65 ARG HG3 H 1 1.541 0.024 . 2 . . . . 65 R HG3 . 17090 1 817 . 1 1 65 65 ARG CA C 13 60.746 0.14 . 1 . . . . 65 R CA . 17090 1 818 . 1 1 65 65 ARG CB C 13 27.510 0.14 . 1 . . . . 65 R CB . 17090 1 819 . 1 1 65 65 ARG CD C 13 43.497 0.14 . 1 . . . . 65 R CD . 17090 1 820 . 1 1 65 65 ARG CG C 13 27.620 0.14 . 1 . . . . 65 R CG . 17090 1 821 . 1 1 65 65 ARG N N 15 129.428 0.14 . 1 . . . . 65 R N . 17090 1 822 . 1 1 66 66 PRO HA H 1 4.200 0.024 . 1 . . . . 66 P HA . 17090 1 823 . 1 1 66 66 PRO HB2 H 1 2.246 0.024 . 2 . . . . 66 P HB2 . 17090 1 824 . 1 1 66 66 PRO HB3 H 1 1.741 0.024 . 2 . . . . 66 P HB3 . 17090 1 825 . 1 1 66 66 PRO HD2 H 1 4.018 0.024 . 2 . . . . 66 P QD . 17090 1 826 . 1 1 66 66 PRO HD3 H 1 4.018 0.024 . 2 . . . . 66 P QD . 17090 1 827 . 1 1 66 66 PRO HG2 H 1 2.040 0.024 . 2 . . . . 66 P QG . 17090 1 828 . 1 1 66 66 PRO HG3 H 1 2.040 0.024 . 2 . . . . 66 P QG . 17090 1 829 . 1 1 66 66 PRO CA C 13 66.298 0.14 . 1 . . . . 66 P CA . 17090 1 830 . 1 1 66 66 PRO CB C 13 30.895 0.14 . 1 . . . . 66 P CB . 17090 1 831 . 1 1 66 66 PRO CD C 13 49.789 0.14 . 1 . . . . 66 P CD . 17090 1 832 . 1 1 66 66 PRO CG C 13 28.434 0.14 . 1 . . . . 66 P CG . 17090 1 833 . 1 1 67 67 ALA H H 1 7.646 0.024 . 1 . . . . 67 A H . 17090 1 834 . 1 1 67 67 ALA HA H 1 4.118 0.024 . 1 . . . . 67 A HA . 17090 1 835 . 1 1 67 67 ALA HB1 H 1 1.064 0.024 . 1 . . . . 67 A QB . 17090 1 836 . 1 1 67 67 ALA HB2 H 1 1.064 0.024 . 1 . . . . 67 A QB . 17090 1 837 . 1 1 67 67 ALA HB3 H 1 1.064 0.024 . 1 . . . . 67 A QB . 17090 1 838 . 1 1 67 67 ALA CA C 13 55.508 0.14 . 1 . . . . 67 A CA . 17090 1 839 . 1 1 67 67 ALA CB C 13 18.156 0.14 . 1 . . . . 67 A CB . 17090 1 840 . 1 1 67 67 ALA N N 15 120.384 0.14 . 1 . . . . 67 A N . 17090 1 841 . 1 1 68 68 THR H H 1 8.010 0.024 . 1 . . . . 68 T H . 17090 1 842 . 1 1 68 68 THR HA H 1 4.164 0.024 . 1 . . . . 68 T HA . 17090 1 843 . 1 1 68 68 THR HB H 1 4.406 0.024 . 1 . . . . 68 T HB . 17090 1 844 . 1 1 68 68 THR HG21 H 1 1.369 0.024 . 1 . . . . 68 T QG2 . 17090 1 845 . 1 1 68 68 THR HG22 H 1 1.369 0.024 . 1 . . . . 68 T QG2 . 17090 1 846 . 1 1 68 68 THR HG23 H 1 1.369 0.024 . 1 . . . . 68 T QG2 . 17090 1 847 . 1 1 68 68 THR CA C 13 67.674 0.14 . 1 . . . . 68 T CA . 17090 1 848 . 1 1 68 68 THR CB C 13 68.059 0.14 . 1 . . . . 68 T CB . 17090 1 849 . 1 1 68 68 THR CG2 C 13 22.711 0.14 . 1 . . . . 68 T CG2 . 17090 1 850 . 1 1 68 68 THR N N 15 115.735 0.14 . 1 . . . . 68 T N . 17090 1 851 . 1 1 69 69 VAL H H 1 8.545 0.024 . 1 . . . . 69 V H . 17090 1 852 . 1 1 69 69 VAL HA H 1 3.664 0.024 . 1 . . . . 69 V HA . 17090 1 853 . 1 1 69 69 VAL HB H 1 2.109 0.024 . 1 . . . . 69 V HB . 17090 1 854 . 1 1 69 69 VAL HG11 H 1 0.999 0.024 . 2 . . . . 69 V QG1 . 17090 1 855 . 1 1 69 69 VAL HG12 H 1 0.999 0.024 . 2 . . . . 69 V QG1 . 17090 1 856 . 1 1 69 69 VAL HG13 H 1 0.999 0.024 . 2 . . . . 69 V QG1 . 17090 1 857 . 1 1 69 69 VAL HG21 H 1 0.876 0.024 . 2 . . . . 69 V QG2 . 17090 1 858 . 1 1 69 69 VAL HG22 H 1 0.876 0.024 . 2 . . . . 69 V QG2 . 17090 1 859 . 1 1 69 69 VAL HG23 H 1 0.876 0.024 . 2 . . . . 69 V QG2 . 17090 1 860 . 1 1 69 69 VAL C C 13 177.807 0.14 . 1 . . . . 69 V C . 17090 1 861 . 1 1 69 69 VAL CA C 13 67.150 0.14 . 1 . . . . 69 V CA . 17090 1 862 . 1 1 69 69 VAL CB C 13 31.712 0.14 . 1 . . . . 69 V CB . 17090 1 863 . 1 1 69 69 VAL CG1 C 13 23.177 0.14 . 2 . . . . 69 V CG1 . 17090 1 864 . 1 1 69 69 VAL CG2 C 13 21.029 0.14 . 2 . . . . 69 V CG2 . 17090 1 865 . 1 1 69 69 VAL N N 15 126.058 0.14 . 1 . . . . 69 V N . 17090 1 866 . 1 1 70 70 LYS H H 1 7.706 0.024 . 1 . . . . 70 K H . 17090 1 867 . 1 1 70 70 LYS HA H 1 3.854 0.024 . 1 . . . . 70 K HA . 17090 1 868 . 1 1 70 70 LYS HB2 H 1 1.827 0.024 . 2 . . . . 70 K HB2 . 17090 1 869 . 1 1 70 70 LYS HB3 H 1 1.948 0.024 . 2 . . . . 70 K HB3 . 17090 1 870 . 1 1 70 70 LYS HD2 H 1 1.373 0.024 . 2 . . . . 70 K HD2 . 17090 1 871 . 1 1 70 70 LYS HD3 H 1 0.945 0.024 . 2 . . . . 70 K HD3 . 17090 1 872 . 1 1 70 70 LYS HE2 H 1 2.395 0.024 . 2 . . . . 70 K QE . 17090 1 873 . 1 1 70 70 LYS HE3 H 1 2.395 0.024 . 2 . . . . 70 K QE . 17090 1 874 . 1 1 70 70 LYS HG2 H 1 1.226 0.024 . 2 . . . . 70 K HG2 . 17090 1 875 . 1 1 70 70 LYS HG3 H 1 0.720 0.024 . 2 . . . . 70 K HG3 . 17090 1 876 . 1 1 70 70 LYS C C 13 179.490 0.14 . 1 . . . . 70 K C . 17090 1 877 . 1 1 70 70 LYS CA C 13 59.966 0.14 . 1 . . . . 70 K CA . 17090 1 878 . 1 1 70 70 LYS CB C 13 32.867 0.14 . 1 . . . . 70 K CB . 17090 1 879 . 1 1 70 70 LYS CD C 13 29.985 0.14 . 1 . . . . 70 K CD . 17090 1 880 . 1 1 70 70 LYS CE C 13 42.337 0.14 . 1 . . . . 70 K CE . 17090 1 881 . 1 1 70 70 LYS CG C 13 25.466 0.14 . 1 . . . . 70 K CG . 17090 1 882 . 1 1 70 70 LYS N N 15 121.112 0.14 . 1 . . . . 70 K N . 17090 1 883 . 1 1 71 71 LEU H H 1 8.514 0.024 . 1 . . . . 71 L H . 17090 1 884 . 1 1 71 71 LEU HA H 1 4.159 0.024 . 1 . . . . 71 L HA . 17090 1 885 . 1 1 71 71 LEU HB2 H 1 1.848 0.024 . 2 . . . . 71 L HB2 . 17090 1 886 . 1 1 71 71 LEU HB3 H 1 1.726 0.024 . 2 . . . . 71 L HB3 . 17090 1 887 . 1 1 71 71 LEU HD11 H 1 -0.687 0.024 . 2 . . . . 71 L QD1 . 17090 1 888 . 1 1 71 71 LEU HD12 H 1 -0.687 0.024 . 2 . . . . 71 L QD1 . 17090 1 889 . 1 1 71 71 LEU HD13 H 1 -0.687 0.024 . 2 . . . . 71 L QD1 . 17090 1 890 . 1 1 71 71 LEU HD21 H 1 -0.193 0.024 . 2 . . . . 71 L QD2 . 17090 1 891 . 1 1 71 71 LEU HD22 H 1 -0.193 0.024 . 2 . . . . 71 L QD2 . 17090 1 892 . 1 1 71 71 LEU HD23 H 1 -0.193 0.024 . 2 . . . . 71 L QD2 . 17090 1 893 . 1 1 71 71 LEU HG H 1 1.123 0.024 . 1 . . . . 71 L HG . 17090 1 894 . 1 1 71 71 LEU C C 13 180.351 0.14 . 1 . . . . 71 L C . 17090 1 895 . 1 1 71 71 LEU CA C 13 58.394 0.14 . 1 . . . . 71 L CA . 17090 1 896 . 1 1 71 71 LEU CB C 13 42.349 0.14 . 1 . . . . 71 L CB . 17090 1 897 . 1 1 71 71 LEU CD1 C 13 21.859 0.14 . 2 . . . . 71 L CD1 . 17090 1 898 . 1 1 71 71 LEU CD2 C 13 24.949 0.14 . 2 . . . . 71 L CD2 . 17090 1 899 . 1 1 71 71 LEU CG C 13 26.914 0.14 . 1 . . . . 71 L CG . 17090 1 900 . 1 1 71 71 LEU N N 15 120.824 0.14 . 1 . . . . 71 L N . 17090 1 901 . 1 1 72 72 THR H H 1 8.749 0.024 . 1 . . . . 72 T H . 17090 1 902 . 1 1 72 72 THR HA H 1 3.841 0.024 . 1 . . . . 72 T HA . 17090 1 903 . 1 1 72 72 THR HB H 1 4.429 0.024 . 1 . . . . 72 T HB . 17090 1 904 . 1 1 72 72 THR HG21 H 1 1.329 0.024 . 1 . . . . 72 T QG2 . 17090 1 905 . 1 1 72 72 THR HG22 H 1 1.329 0.024 . 1 . . . . 72 T QG2 . 17090 1 906 . 1 1 72 72 THR HG23 H 1 1.329 0.024 . 1 . . . . 72 T QG2 . 17090 1 907 . 1 1 72 72 THR C C 13 176.928 0.14 . 1 . . . . 72 T C . 17090 1 908 . 1 1 72 72 THR CA C 13 67.330 0.14 . 1 . . . . 72 T CA . 17090 1 909 . 1 1 72 72 THR CB C 13 69.026 0.14 . 1 . . . . 72 T CB . 17090 1 910 . 1 1 72 72 THR CG2 C 13 21.853 0.14 . 1 . . . . 72 T CG2 . 17090 1 911 . 1 1 72 72 THR N N 15 116.825 0.14 . 1 . . . . 72 T N . 17090 1 912 . 1 1 73 73 ARG H H 1 8.167 0.024 . 1 . . . . 73 R H . 17090 1 913 . 1 1 73 73 ARG HA H 1 4.141 0.024 . 1 . . . . 73 R HA . 17090 1 914 . 1 1 73 73 ARG HB2 H 1 1.843 0.024 . 2 . . . . 73 R HB2 . 17090 1 915 . 1 1 73 73 ARG HB3 H 1 1.944 0.024 . 2 . . . . 73 R HB3 . 17090 1 916 . 1 1 73 73 ARG HD2 H 1 3.071 0.024 . 2 . . . . 73 R QD . 17090 1 917 . 1 1 73 73 ARG HD3 H 1 3.071 0.024 . 2 . . . . 73 R QD . 17090 1 918 . 1 1 73 73 ARG HG2 H 1 1.847 0.024 . 2 . . . . 73 R HG2 . 17090 1 919 . 1 1 73 73 ARG HG3 H 1 1.679 0.024 . 2 . . . . 73 R HG3 . 17090 1 920 . 1 1 73 73 ARG C C 13 176.508 0.14 . 1 . . . . 73 R C . 17090 1 921 . 1 1 73 73 ARG CA C 13 58.491 0.14 . 1 . . . . 73 R CA . 17090 1 922 . 1 1 73 73 ARG CB C 13 30.271 0.14 . 1 . . . . 73 R CB . 17090 1 923 . 1 1 73 73 ARG CD C 13 43.819 0.14 . 1 . . . . 73 R CD . 17090 1 924 . 1 1 73 73 ARG CG C 13 28.142 0.14 . 1 . . . . 73 R CG . 17090 1 925 . 1 1 73 73 ARG N N 15 120.428 0.14 . 1 . . . . 73 R N . 17090 1 926 . 1 1 74 74 SER H H 1 7.793 0.024 . 1 . . . . 74 S H . 17090 1 927 . 1 1 74 74 SER HA H 1 4.563 0.024 . 1 . . . . 74 S HA . 17090 1 928 . 1 1 74 74 SER HB2 H 1 4.298 0.024 . 2 . . . . 74 S HB2 . 17090 1 929 . 1 1 74 74 SER HB3 H 1 4.550 0.024 . 2 . . . . 74 S HB3 . 17090 1 930 . 1 1 74 74 SER C C 13 174.514 0.14 . 1 . . . . 74 S C . 17090 1 931 . 1 1 74 74 SER CA C 13 59.540 0.14 . 1 . . . . 74 S CA . 17090 1 932 . 1 1 74 74 SER CB C 13 64.455 0.14 . 1 . . . . 74 S CB . 17090 1 933 . 1 1 74 74 SER N N 15 113.354 0.14 . 1 . . . . 74 S N . 17090 1 934 . 1 1 75 75 ILE H H 1 7.494 0.024 . 1 . . . . 75 I H . 17090 1 935 . 1 1 75 75 ILE HA H 1 4.178 0.024 . 1 . . . . 75 I HA . 17090 1 936 . 1 1 75 75 ILE HB H 1 1.937 0.024 . 1 . . . . 75 I HB . 17090 1 937 . 1 1 75 75 ILE HD11 H 1 1.046 0.024 . 1 . . . . 75 I QD1 . 17090 1 938 . 1 1 75 75 ILE HD12 H 1 1.046 0.024 . 1 . . . . 75 I QD1 . 17090 1 939 . 1 1 75 75 ILE HD13 H 1 1.046 0.024 . 1 . . . . 75 I QD1 . 17090 1 940 . 1 1 75 75 ILE HG12 H 1 2.498 0.024 . 2 . . . . 75 I HG12 . 17090 1 941 . 1 1 75 75 ILE HG13 H 1 0.890 0.024 . 2 . . . . 75 I HG13 . 17090 1 942 . 1 1 75 75 ILE HG21 H 1 0.807 0.024 . 1 . . . . 75 I QG2 . 17090 1 943 . 1 1 75 75 ILE HG22 H 1 0.807 0.024 . 1 . . . . 75 I QG2 . 17090 1 944 . 1 1 75 75 ILE HG23 H 1 0.807 0.024 . 1 . . . . 75 I QG2 . 17090 1 945 . 1 1 75 75 ILE CA C 13 60.544 0.14 . 1 . . . . 75 I CA . 17090 1 946 . 1 1 75 75 ILE CB C 13 39.330 0.14 . 1 . . . . 75 I CB . 17090 1 947 . 1 1 75 75 ILE CD1 C 13 13.767 0.14 . 1 . . . . 75 I CD1 . 17090 1 948 . 1 1 75 75 ILE CG1 C 13 29.862 0.14 . 1 . . . . 75 I CG1 . 17090 1 949 . 1 1 75 75 ILE CG2 C 13 16.943 0.14 . 1 . . . . 75 I CG2 . 17090 1 950 . 1 1 75 75 ILE N N 15 126.248 0.14 . 1 . . . . 75 I N . 17090 1 951 . 1 1 76 76 PRO HA H 1 4.330 0.024 . 1 . . . . 76 P HA . 17090 1 952 . 1 1 76 76 PRO HB2 H 1 2.295 0.024 . 2 . . . . 76 P HB2 . 17090 1 953 . 1 1 76 76 PRO HB3 H 1 1.490 0.024 . 2 . . . . 76 P HB3 . 17090 1 954 . 1 1 76 76 PRO HD2 H 1 3.478 0.024 . 2 . . . . 76 P QD . 17090 1 955 . 1 1 76 76 PRO HD3 H 1 3.478 0.024 . 2 . . . . 76 P QD . 17090 1 956 . 1 1 76 76 PRO HG2 H 1 2.050 0.024 . 2 . . . . 76 P HG2 . 17090 1 957 . 1 1 76 76 PRO HG3 H 1 2.012 0.024 . 2 . . . . 76 P HG3 . 17090 1 958 . 1 1 76 76 PRO CA C 13 63.079 0.14 . 1 . . . . 76 P CA . 17090 1 959 . 1 1 76 76 PRO CB C 13 33.182 0.14 . 1 . . . . 76 P CB . 17090 1 960 . 1 1 76 76 PRO CD C 13 51.756 0.14 . 1 . . . . 76 P CD . 17090 1 961 . 1 1 76 76 PRO CG C 13 28.090 0.14 . 1 . . . . 76 P CG . 17090 1 962 . 1 1 77 77 ALA H H 1 8.788 0.024 . 1 . . . . 77 A H . 17090 1 963 . 1 1 77 77 ALA HA H 1 4.081 0.024 . 1 . . . . 77 A HA . 17090 1 964 . 1 1 77 77 ALA HB1 H 1 1.418 0.024 . 1 . . . . 77 A QB . 17090 1 965 . 1 1 77 77 ALA HB2 H 1 1.418 0.024 . 1 . . . . 77 A QB . 17090 1 966 . 1 1 77 77 ALA HB3 H 1 1.418 0.024 . 1 . . . . 77 A QB . 17090 1 967 . 1 1 77 77 ALA CA C 13 56.781 0.14 . 1 . . . . 77 A CA . 17090 1 968 . 1 1 77 77 ALA CB C 13 16.224 0.14 . 1 . . . . 77 A CB . 17090 1 969 . 1 1 77 77 ALA N N 15 125.496 0.14 . 1 . . . . 77 A N . 17090 1 970 . 1 1 78 78 PRO HA H 1 4.371 0.024 . 1 . . . . 78 P HA . 17090 1 971 . 1 1 78 78 PRO HB2 H 1 2.109 0.024 . 2 . . . . 78 P HB2 . 17090 1 972 . 1 1 78 78 PRO HB3 H 1 1.063 0.024 . 2 . . . . 78 P HB3 . 17090 1 973 . 1 1 78 78 PRO HD2 H 1 3.083 0.024 . 2 . . . . 78 P HD2 . 17090 1 974 . 1 1 78 78 PRO HD3 H 1 3.546 0.024 . 2 . . . . 78 P HD3 . 17090 1 975 . 1 1 78 78 PRO HG2 H 1 1.236 0.024 . 2 . . . . 78 P HG2 . 17090 1 976 . 1 1 78 78 PRO HG3 H 1 1.656 0.024 . 2 . . . . 78 P HG3 . 17090 1 977 . 1 1 78 78 PRO C C 13 177.079 0.14 . 1 . . . . 78 P C . 17090 1 978 . 1 1 78 78 PRO CA C 13 64.926 0.14 . 1 . . . . 78 P CA . 17090 1 979 . 1 1 78 78 PRO CB C 13 31.106 0.14 . 1 . . . . 78 P CB . 17090 1 980 . 1 1 78 78 PRO CD C 13 50.325 0.14 . 1 . . . . 78 P CD . 17090 1 981 . 1 1 78 78 PRO CG C 13 27.600 0.14 . 1 . . . . 78 P CG . 17090 1 982 . 1 1 79 79 TYR H H 1 7.980 0.024 . 1 . . . . 79 Y H . 17090 1 983 . 1 1 79 79 TYR HA H 1 5.072 0.024 . 1 . . . . 79 Y HA . 17090 1 984 . 1 1 79 79 TYR HB2 H 1 3.435 0.024 . 2 . . . . 79 Y HB2 . 17090 1 985 . 1 1 79 79 TYR HB3 H 1 2.675 0.024 . 2 . . . . 79 Y HB3 . 17090 1 986 . 1 1 79 79 TYR HD1 H 1 6.786 0.024 . 3 . . . . 79 Y QD . 17090 1 987 . 1 1 79 79 TYR HD2 H 1 6.786 0.024 . 3 . . . . 79 Y QD . 17090 1 988 . 1 1 79 79 TYR HE1 H 1 6.709 0.024 . 3 . . . . 79 Y QE . 17090 1 989 . 1 1 79 79 TYR HE2 H 1 6.709 0.024 . 3 . . . . 79 Y QE . 17090 1 990 . 1 1 79 79 TYR C C 13 175.961 0.14 . 1 . . . . 79 Y C . 17090 1 991 . 1 1 79 79 TYR CA C 13 53.326 0.14 . 1 . . . . 79 Y CA . 17090 1 992 . 1 1 79 79 TYR CB C 13 38.078 0.14 . 1 . . . . 79 Y CB . 17090 1 993 . 1 1 79 79 TYR CD1 C 13 130.826 0.14 . 3 . . . . 79 Y CD1 . 17090 1 994 . 1 1 79 79 TYR CE1 C 13 118.495 0.14 . 3 . . . . 79 Y CE1 . 17090 1 995 . 1 1 79 79 TYR N N 15 116.058 0.14 . 1 . . . . 79 Y N . 17090 1 996 . 1 1 80 80 LYS H H 1 7.386 0.024 . 1 . . . . 80 K H . 17090 1 997 . 1 1 80 80 LYS HA H 1 3.987 0.024 . 1 . . . . 80 K HA . 17090 1 998 . 1 1 80 80 LYS HB2 H 1 1.940 0.024 . 2 . . . . 80 K QB . 17090 1 999 . 1 1 80 80 LYS HB3 H 1 1.940 0.024 . 2 . . . . 80 K QB . 17090 1 1000 . 1 1 80 80 LYS HD2 H 1 1.661 0.024 . 2 . . . . 80 K QD . 17090 1 1001 . 1 1 80 80 LYS HD3 H 1 1.661 0.024 . 2 . . . . 80 K QD . 17090 1 1002 . 1 1 80 80 LYS HE2 H 1 2.962 0.024 . 2 . . . . 80 K HE2 . 17090 1 1003 . 1 1 80 80 LYS HE3 H 1 3.030 0.024 . 2 . . . . 80 K HE3 . 17090 1 1004 . 1 1 80 80 LYS HG2 H 1 1.511 0.024 . 2 . . . . 80 K HG2 . 17090 1 1005 . 1 1 80 80 LYS HG3 H 1 1.614 0.024 . 2 . . . . 80 K HG3 . 17090 1 1006 . 1 1 80 80 LYS C C 13 176.539 0.14 . 1 . . . . 80 K C . 17090 1 1007 . 1 1 80 80 LYS CA C 13 59.238 0.14 . 1 . . . . 80 K CA . 17090 1 1008 . 1 1 80 80 LYS CB C 13 33.161 0.14 . 1 . . . . 80 K CB . 17090 1 1009 . 1 1 80 80 LYS CD C 13 29.181 0.14 . 1 . . . . 80 K CD . 17090 1 1010 . 1 1 80 80 LYS CE C 13 42.457 0.14 . 1 . . . . 80 K CE . 17090 1 1011 . 1 1 80 80 LYS CG C 13 25.856 0.14 . 1 . . . . 80 K CG . 17090 1 1012 . 1 1 80 80 LYS N N 15 118.665 0.14 . 1 . . . . 80 K N . 17090 1 1013 . 1 1 81 81 GLN H H 1 8.585 0.024 . 1 . . . . 81 Q H . 17090 1 1014 . 1 1 81 81 GLN HA H 1 4.845 0.024 . 1 . . . . 81 Q HA . 17090 1 1015 . 1 1 81 81 GLN HB2 H 1 2.460 0.024 . 2 . . . . 81 Q HB2 . 17090 1 1016 . 1 1 81 81 GLN HB3 H 1 1.755 0.024 . 2 . . . . 81 Q HB3 . 17090 1 1017 . 1 1 81 81 GLN HE21 H 1 7.498 0.024 . 2 . . . . 81 Q HE21 . 17090 1 1018 . 1 1 81 81 GLN HE22 H 1 6.773 0.024 . 2 . . . . 81 Q HE22 . 17090 1 1019 . 1 1 81 81 GLN HG2 H 1 2.159 0.024 . 2 . . . . 81 Q HG2 . 17090 1 1020 . 1 1 81 81 GLN HG3 H 1 2.294 0.024 . 2 . . . . 81 Q HG3 . 17090 1 1021 . 1 1 81 81 GLN C C 13 176.344 0.14 . 1 . . . . 81 Q C . 17090 1 1022 . 1 1 81 81 GLN CA C 13 54.382 0.14 . 1 . . . . 81 Q CA . 17090 1 1023 . 1 1 81 81 GLN CB C 13 28.319 0.14 . 1 . . . . 81 Q CB . 17090 1 1024 . 1 1 81 81 GLN CG C 13 33.648 0.14 . 1 . . . . 81 Q CG . 17090 1 1025 . 1 1 81 81 GLN N N 15 115.263 0.14 . 1 . . . . 81 Q N . 17090 1 1026 . 1 1 81 81 GLN NE2 N 15 112.044 0.14 . 1 . . . . 81 Q NE2 . 17090 1 1027 . 1 1 82 82 LEU H H 1 7.148 0.024 . 1 . . . . 82 L H . 17090 1 1028 . 1 1 82 82 LEU HA H 1 4.006 0.024 . 1 . . . . 82 L HA . 17090 1 1029 . 1 1 82 82 LEU HB2 H 1 1.817 0.024 . 2 . . . . 82 L HB2 . 17090 1 1030 . 1 1 82 82 LEU HB3 H 1 1.357 0.024 . 2 . . . . 82 L HB3 . 17090 1 1031 . 1 1 82 82 LEU HD11 H 1 0.502 0.024 . 2 . . . . 82 L QD1 . 17090 1 1032 . 1 1 82 82 LEU HD12 H 1 0.502 0.024 . 2 . . . . 82 L QD1 . 17090 1 1033 . 1 1 82 82 LEU HD13 H 1 0.502 0.024 . 2 . . . . 82 L QD1 . 17090 1 1034 . 1 1 82 82 LEU HD21 H 1 0.866 0.024 . 2 . . . . 82 L QD2 . 17090 1 1035 . 1 1 82 82 LEU HD22 H 1 0.866 0.024 . 2 . . . . 82 L QD2 . 17090 1 1036 . 1 1 82 82 LEU HD23 H 1 0.866 0.024 . 2 . . . . 82 L QD2 . 17090 1 1037 . 1 1 82 82 LEU HG H 1 1.923 0.024 . 1 . . . . 82 L HG . 17090 1 1038 . 1 1 82 82 LEU C C 13 178.955 0.14 . 1 . . . . 82 L C . 17090 1 1039 . 1 1 82 82 LEU CA C 13 58.483 0.14 . 1 . . . . 82 L CA . 17090 1 1040 . 1 1 82 82 LEU CB C 13 42.125 0.14 . 1 . . . . 82 L CB . 17090 1 1041 . 1 1 82 82 LEU CD1 C 13 25.496 0.14 . 2 . . . . 82 L CD1 . 17090 1 1042 . 1 1 82 82 LEU CD2 C 13 21.799 0.14 . 2 . . . . 82 L CD2 . 17090 1 1043 . 1 1 82 82 LEU CG C 13 26.615 0.14 . 1 . . . . 82 L CG . 17090 1 1044 . 1 1 82 82 LEU N N 15 118.517 0.14 . 1 . . . . 82 L N . 17090 1 1045 . 1 1 83 83 LEU H H 1 8.342 0.024 . 1 . . . . 83 L H . 17090 1 1046 . 1 1 83 83 LEU HA H 1 3.565 0.024 . 1 . . . . 83 L HA . 17090 1 1047 . 1 1 83 83 LEU HB2 H 1 1.500 0.024 . 2 . . . . 83 L HB2 . 17090 1 1048 . 1 1 83 83 LEU HB3 H 1 1.712 0.024 . 2 . . . . 83 L HB3 . 17090 1 1049 . 1 1 83 83 LEU HD11 H 1 0.611 0.024 . 2 . . . . 83 L QD1 . 17090 1 1050 . 1 1 83 83 LEU HD12 H 1 0.611 0.024 . 2 . . . . 83 L QD1 . 17090 1 1051 . 1 1 83 83 LEU HD13 H 1 0.611 0.024 . 2 . . . . 83 L QD1 . 17090 1 1052 . 1 1 83 83 LEU HD21 H 1 0.835 0.024 . 2 . . . . 83 L QD2 . 17090 1 1053 . 1 1 83 83 LEU HD22 H 1 0.835 0.024 . 2 . . . . 83 L QD2 . 17090 1 1054 . 1 1 83 83 LEU HD23 H 1 0.835 0.024 . 2 . . . . 83 L QD2 . 17090 1 1055 . 1 1 83 83 LEU HG H 1 1.516 0.024 . 1 . . . . 83 L HG . 17090 1 1056 . 1 1 83 83 LEU C C 13 177.512 0.14 . 1 . . . . 83 L C . 17090 1 1057 . 1 1 83 83 LEU CA C 13 58.906 0.14 . 1 . . . . 83 L CA . 17090 1 1058 . 1 1 83 83 LEU CB C 13 42.081 0.14 . 1 . . . . 83 L CB . 17090 1 1059 . 1 1 83 83 LEU CD1 C 13 24.825 0.14 . 2 . . . . 83 L CD1 . 17090 1 1060 . 1 1 83 83 LEU CD2 C 13 25.665 0.14 . 2 . . . . 83 L CD2 . 17090 1 1061 . 1 1 83 83 LEU CG C 13 27.103 0.14 . 1 . . . . 83 L CG . 17090 1 1062 . 1 1 83 83 LEU N N 15 119.656 0.14 . 1 . . . . 83 L N . 17090 1 1063 . 1 1 84 84 LYS H H 1 7.217 0.024 . 1 . . . . 84 K H . 17090 1 1064 . 1 1 84 84 LYS HA H 1 4.019 0.024 . 1 . . . . 84 K HA . 17090 1 1065 . 1 1 84 84 LYS HB2 H 1 1.789 0.024 . 2 . . . . 84 K QB . 17090 1 1066 . 1 1 84 84 LYS HB3 H 1 1.789 0.024 . 2 . . . . 84 K QB . 17090 1 1067 . 1 1 84 84 LYS HD2 H 1 1.502 0.024 . 2 . . . . 84 K HD2 . 17090 1 1068 . 1 1 84 84 LYS HD3 H 1 1.560 0.024 . 2 . . . . 84 K HD3 . 17090 1 1069 . 1 1 84 84 LYS HE2 H 1 2.857 0.024 . 2 . . . . 84 K QE . 17090 1 1070 . 1 1 84 84 LYS HE3 H 1 2.857 0.024 . 2 . . . . 84 K QE . 17090 1 1071 . 1 1 84 84 LYS HG2 H 1 1.282 0.024 . 2 . . . . 84 K HG2 . 17090 1 1072 . 1 1 84 84 LYS HG3 H 1 1.197 0.024 . 2 . . . . 84 K HG3 . 17090 1 1073 . 1 1 84 84 LYS C C 13 178.622 0.14 . 1 . . . . 84 K C . 17090 1 1074 . 1 1 84 84 LYS CA C 13 58.825 0.14 . 1 . . . . 84 K CA . 17090 1 1075 . 1 1 84 84 LYS CB C 13 33.631 0.14 . 1 . . . . 84 K CB . 17090 1 1076 . 1 1 84 84 LYS CD C 13 29.348 0.14 . 1 . . . . 84 K CD . 17090 1 1077 . 1 1 84 84 LYS CE C 13 42.293 0.14 . 1 . . . . 84 K CE . 17090 1 1078 . 1 1 84 84 LYS CG C 13 25.068 0.14 . 1 . . . . 84 K CG . 17090 1 1079 . 1 1 84 84 LYS N N 15 117.778 0.14 . 1 . . . . 84 K N . 17090 1 1080 . 1 1 85 85 GLU H H 1 8.354 0.024 . 1 . . . . 85 E H . 17090 1 1081 . 1 1 85 85 GLU HA H 1 3.876 0.024 . 1 . . . . 85 E HA . 17090 1 1082 . 1 1 85 85 GLU HB2 H 1 1.946 0.024 . 2 . . . . 85 E HB2 . 17090 1 1083 . 1 1 85 85 GLU HB3 H 1 1.873 0.024 . 2 . . . . 85 E HB3 . 17090 1 1084 . 1 1 85 85 GLU HG2 H 1 2.175 0.024 . 2 . . . . 85 E HG2 . 17090 1 1085 . 1 1 85 85 GLU HG3 H 1 2.314 0.024 . 2 . . . . 85 E HG3 . 17090 1 1086 . 1 1 85 85 GLU C C 13 177.134 0.14 . 1 . . . . 85 E C . 17090 1 1087 . 1 1 85 85 GLU CA C 13 59.151 0.14 . 1 . . . . 85 E CA . 17090 1 1088 . 1 1 85 85 GLU CB C 13 30.979 0.14 . 1 . . . . 85 E CB . 17090 1 1089 . 1 1 85 85 GLU CG C 13 36.658 0.14 . 1 . . . . 85 E CG . 17090 1 1090 . 1 1 85 85 GLU N N 15 116.781 0.14 . 1 . . . . 85 E N . 17090 1 1091 . 1 1 86 86 GLU H H 1 9.026 0.024 . 1 . . . . 86 E H . 17090 1 1092 . 1 1 86 86 GLU HA H 1 4.397 0.024 . 1 . . . . 86 E HA . 17090 1 1093 . 1 1 86 86 GLU HB2 H 1 1.965 0.024 . 2 . . . . 86 E HB2 . 17090 1 1094 . 1 1 86 86 GLU HB3 H 1 1.880 0.024 . 2 . . . . 86 E HB3 . 17090 1 1095 . 1 1 86 86 GLU HG2 H 1 2.207 0.024 . 2 . . . . 86 E HG2 . 17090 1 1096 . 1 1 86 86 GLU HG3 H 1 1.893 0.024 . 2 . . . . 86 E HG3 . 17090 1 1097 . 1 1 86 86 GLU CA C 13 58.129 0.14 . 1 . . . . 86 E CA . 17090 1 1098 . 1 1 86 86 GLU CB C 13 31.153 0.14 . 1 . . . . 86 E CB . 17090 1 1099 . 1 1 86 86 GLU CG C 13 36.981 0.14 . 1 . . . . 86 E CG . 17090 1 1100 . 1 1 86 86 GLU N N 15 116.269 0.14 . 1 . . . . 86 E N . 17090 1 1101 . 1 1 87 87 LEU H H 1 6.656 0.024 . 1 . . . . 87 L H . 17090 1 1102 . 1 1 87 87 LEU HA H 1 4.496 0.024 . 1 . . . . 87 L HA . 17090 1 1103 . 1 1 87 87 LEU HB2 H 1 1.635 0.024 . 2 . . . . 87 L HB2 . 17090 1 1104 . 1 1 87 87 LEU HB3 H 1 1.580 0.024 . 2 . . . . 87 L HB3 . 17090 1 1105 . 1 1 87 87 LEU HD11 H 1 0.209 0.024 . 2 . . . . 87 L QD1 . 17090 1 1106 . 1 1 87 87 LEU HD12 H 1 0.209 0.024 . 2 . . . . 87 L QD1 . 17090 1 1107 . 1 1 87 87 LEU HD13 H 1 0.209 0.024 . 2 . . . . 87 L QD1 . 17090 1 1108 . 1 1 87 87 LEU HD21 H 1 0.311 0.024 . 2 . . . . 87 L QD2 . 17090 1 1109 . 1 1 87 87 LEU HD22 H 1 0.311 0.024 . 2 . . . . 87 L QD2 . 17090 1 1110 . 1 1 87 87 LEU HD23 H 1 0.311 0.024 . 2 . . . . 87 L QD2 . 17090 1 1111 . 1 1 87 87 LEU HG H 1 1.373 0.024 . 1 . . . . 87 L HG . 17090 1 1112 . 1 1 87 87 LEU CA C 13 55.217 0.14 . 1 . . . . 87 L CA . 17090 1 1113 . 1 1 87 87 LEU CB C 13 42.271 0.14 . 1 . . . . 87 L CB . 17090 1 1114 . 1 1 87 87 LEU CD1 C 13 25.374 0.14 . 2 . . . . 87 L CD1 . 17090 1 1115 . 1 1 87 87 LEU CD2 C 13 22.637 0.14 . 2 . . . . 87 L CD2 . 17090 1 1116 . 1 1 87 87 LEU CG C 13 26.852 0.14 . 1 . . . . 87 L CG . 17090 1 1117 . 1 1 87 87 LEU N N 15 114.004 0.14 . 1 . . . . 87 L N . 17090 1 1118 . 1 1 88 88 GLY H H 1 7.198 0.024 . 1 . . . . 88 G H . 17090 1 1119 . 1 1 88 88 GLY HA2 H 1 4.156 0.024 . 2 . . . . 88 G HA2 . 17090 1 1120 . 1 1 88 88 GLY HA3 H 1 3.943 0.024 . 2 . . . . 88 G HA3 . 17090 1 1121 . 1 1 88 88 GLY C C 13 174.479 0.14 . 1 . . . . 88 G C . 17090 1 1122 . 1 1 88 88 GLY CA C 13 46.178 0.14 . 1 . . . . 88 G CA . 17090 1 1123 . 1 1 88 88 GLY N N 15 105.788 0.14 . 1 . . . . 88 G N . 17090 1 1124 . 1 1 89 89 PHE H H 1 7.934 0.024 . 1 . . . . 89 F H . 17090 1 1125 . 1 1 89 89 PHE HA H 1 4.742 0.024 . 1 . . . . 89 F HA . 17090 1 1126 . 1 1 89 89 PHE HB2 H 1 2.396 0.024 . 2 . . . . 89 F QB . 17090 1 1127 . 1 1 89 89 PHE HB3 H 1 2.396 0.024 . 2 . . . . 89 F QB . 17090 1 1128 . 1 1 89 89 PHE HD1 H 1 7.076 0.024 . 3 . . . . 89 F QD . 17090 1 1129 . 1 1 89 89 PHE HD2 H 1 7.076 0.024 . 3 . . . . 89 F QD . 17090 1 1130 . 1 1 89 89 PHE HE1 H 1 6.903 0.024 . 3 . . . . 89 F QE . 17090 1 1131 . 1 1 89 89 PHE HE2 H 1 6.903 0.024 . 3 . . . . 89 F QE . 17090 1 1132 . 1 1 89 89 PHE HZ H 1 5.608 0.024 . 1 . . . . 89 F HZ . 17090 1 1133 . 1 1 89 89 PHE C C 13 174.342 0.14 . 1 . . . . 89 F C . 17090 1 1134 . 1 1 89 89 PHE CA C 13 57.039 0.14 . 1 . . . . 89 F CA . 17090 1 1135 . 1 1 89 89 PHE CB C 13 39.508 0.14 . 1 . . . . 89 F CB . 17090 1 1136 . 1 1 89 89 PHE CD1 C 13 132.215 0.14 . 3 . . . . 89 F CD1 . 17090 1 1137 . 1 1 89 89 PHE CE1 C 13 131.415 0.14 . 3 . . . . 89 F CE1 . 17090 1 1138 . 1 1 89 89 PHE CZ C 13 130.219 0.14 . 1 . . . . 89 F CZ . 17090 1 1139 . 1 1 89 89 PHE N N 15 121.853 0.14 . 1 . . . . 89 F N . 17090 1 1140 . 1 1 90 90 ALA H H 1 8.605 0.024 . 1 . . . . 90 A H . 17090 1 1141 . 1 1 90 90 ALA HA H 1 3.933 0.024 . 1 . . . . 90 A HA . 17090 1 1142 . 1 1 90 90 ALA HB1 H 1 1.188 0.024 . 1 . . . . 90 A QB . 17090 1 1143 . 1 1 90 90 ALA HB2 H 1 1.188 0.024 . 1 . . . . 90 A QB . 17090 1 1144 . 1 1 90 90 ALA HB3 H 1 1.188 0.024 . 1 . . . . 90 A QB . 17090 1 1145 . 1 1 90 90 ALA CA C 13 52.335 0.14 . 1 . . . . 90 A CA . 17090 1 1146 . 1 1 90 90 ALA CB C 13 19.441 0.14 . 1 . . . . 90 A CB . 17090 1 1147 . 1 1 90 90 ALA N N 15 130.620 0.14 . 1 . . . . 90 A N . 17090 1 1148 . 1 1 91 91 GLY HA2 H 1 2.876 0.024 . 2 . . . . 91 G HA2 . 17090 1 1149 . 1 1 91 91 GLY HA3 H 1 4.015 0.024 . 2 . . . . 91 G HA3 . 17090 1 1150 . 1 1 91 91 GLY C C 13 172.631 0.14 . 1 . . . . 91 G C . 17090 1 1151 . 1 1 91 91 GLY CA C 13 43.977 0.14 . 1 . . . . 91 G CA . 17090 1 1152 . 1 1 92 92 TYR H H 1 8.165 0.024 . 1 . . . . 92 Y H . 17090 1 1153 . 1 1 92 92 TYR HA H 1 4.601 0.024 . 1 . . . . 92 Y HA . 17090 1 1154 . 1 1 92 92 TYR HB2 H 1 3.134 0.024 . 2 . . . . 92 Y HB2 . 17090 1 1155 . 1 1 92 92 TYR HB3 H 1 2.556 0.024 . 2 . . . . 92 Y HB3 . 17090 1 1156 . 1 1 92 92 TYR HD1 H 1 7.230 0.024 . 3 . . . . 92 Y QD . 17090 1 1157 . 1 1 92 92 TYR HD2 H 1 7.230 0.024 . 3 . . . . 92 Y QD . 17090 1 1158 . 1 1 92 92 TYR HE1 H 1 6.889 0.024 . 3 . . . . 92 Y QE . 17090 1 1159 . 1 1 92 92 TYR HE2 H 1 6.889 0.024 . 3 . . . . 92 Y QE . 17090 1 1160 . 1 1 92 92 TYR C C 13 175.961 0.14 . 1 . . . . 92 Y C . 17090 1 1161 . 1 1 92 92 TYR CA C 13 58.114 0.14 . 1 . . . . 92 Y CA . 17090 1 1162 . 1 1 92 92 TYR CB C 13 39.617 0.14 . 1 . . . . 92 Y CB . 17090 1 1163 . 1 1 92 92 TYR CD1 C 13 133.157 0.14 . 3 . . . . 92 Y CD1 . 17090 1 1164 . 1 1 92 92 TYR CE1 C 13 118.800 0.14 . 3 . . . . 92 Y CE1 . 17090 1 1165 . 1 1 92 92 TYR N N 15 119.686 0.14 . 1 . . . . 92 Y N . 17090 1 1166 . 1 1 93 93 SER H H 1 8.943 0.024 . 1 . . . . 93 S H . 17090 1 1167 . 1 1 93 93 SER HA H 1 4.361 0.024 . 1 . . . . 93 S HA . 17090 1 1168 . 1 1 93 93 SER HB2 H 1 4.005 0.024 . 2 . . . . 93 S HB2 . 17090 1 1169 . 1 1 93 93 SER HB3 H 1 3.899 0.024 . 2 . . . . 93 S HB3 . 17090 1 1170 . 1 1 93 93 SER C C 13 175.360 0.14 . 1 . . . . 93 S C . 17090 1 1171 . 1 1 93 93 SER CA C 13 58.255 0.14 . 1 . . . . 93 S CA . 17090 1 1172 . 1 1 93 93 SER CB C 13 63.991 0.14 . 1 . . . . 93 S CB . 17090 1 1173 . 1 1 93 93 SER N N 15 117.706 0.14 . 1 . . . . 93 S N . 17090 1 1174 . 1 1 94 94 ILE H H 1 8.326 0.024 . 1 . . . . 94 I H . 17090 1 1175 . 1 1 94 94 ILE HA H 1 3.931 0.024 . 1 . . . . 94 I HA . 17090 1 1176 . 1 1 94 94 ILE HB H 1 1.854 0.024 . 1 . . . . 94 I HB . 17090 1 1177 . 1 1 94 94 ILE HD11 H 1 0.847 0.024 . 1 . . . . 94 I QD1 . 17090 1 1178 . 1 1 94 94 ILE HD12 H 1 0.847 0.024 . 1 . . . . 94 I QD1 . 17090 1 1179 . 1 1 94 94 ILE HD13 H 1 0.847 0.024 . 1 . . . . 94 I QD1 . 17090 1 1180 . 1 1 94 94 ILE HG12 H 1 1.436 0.024 . 2 . . . . 94 I HG12 . 17090 1 1181 . 1 1 94 94 ILE HG13 H 1 1.224 0.024 . 2 . . . . 94 I HG13 . 17090 1 1182 . 1 1 94 94 ILE HG21 H 1 0.894 0.024 . 1 . . . . 94 I QG2 . 17090 1 1183 . 1 1 94 94 ILE HG22 H 1 0.894 0.024 . 1 . . . . 94 I QG2 . 17090 1 1184 . 1 1 94 94 ILE HG23 H 1 0.894 0.024 . 1 . . . . 94 I QG2 . 17090 1 1185 . 1 1 94 94 ILE C C 13 176.513 0.14 . 1 . . . . 94 I C . 17090 1 1186 . 1 1 94 94 ILE CA C 13 63.406 0.14 . 1 . . . . 94 I CA . 17090 1 1187 . 1 1 94 94 ILE CB C 13 38.550 0.14 . 1 . . . . 94 I CB . 17090 1 1188 . 1 1 94 94 ILE CD1 C 13 13.559 0.14 . 1 . . . . 94 I CD1 . 17090 1 1189 . 1 1 94 94 ILE CG1 C 13 28.197 0.14 . 1 . . . . 94 I CG1 . 17090 1 1190 . 1 1 94 94 ILE CG2 C 13 17.562 0.14 . 1 . . . . 94 I CG2 . 17090 1 1191 . 1 1 94 94 ILE N N 15 121.051 0.14 . 1 . . . . 94 I N . 17090 1 1192 . 1 1 95 95 ASN H H 1 8.154 0.024 . 1 . . . . 95 N H . 17090 1 1193 . 1 1 95 95 ASN HA H 1 4.531 0.024 . 1 . . . . 95 N HA . 17090 1 1194 . 1 1 95 95 ASN HB2 H 1 2.768 0.024 . 2 . . . . 95 N HB2 . 17090 1 1195 . 1 1 95 95 ASN HB3 H 1 2.682 0.024 . 2 . . . . 95 N HB3 . 17090 1 1196 . 1 1 95 95 ASN HD21 H 1 7.575 0.024 . 2 . . . . 95 N HD21 . 17090 1 1197 . 1 1 95 95 ASN HD22 H 1 6.920 0.024 . 2 . . . . 95 N HD22 . 17090 1 1198 . 1 1 95 95 ASN C C 13 175.193 0.14 . 1 . . . . 95 N C . 17090 1 1199 . 1 1 95 95 ASN CA C 13 54.447 0.14 . 1 . . . . 95 N CA . 17090 1 1200 . 1 1 95 95 ASN CB C 13 38.341 0.14 . 1 . . . . 95 N CB . 17090 1 1201 . 1 1 95 95 ASN N N 15 117.362 0.14 . 1 . . . . 95 N N . 17090 1 1202 . 1 1 95 95 ASN ND2 N 15 113.174 0.14 . 1 . . . . 95 N ND2 . 17090 1 1203 . 1 1 96 96 GLU H H 1 7.815 0.024 . 1 . . . . 96 E H . 17090 1 1204 . 1 1 96 96 GLU HA H 1 4.329 0.024 . 1 . . . . 96 E HA . 17090 1 1205 . 1 1 96 96 GLU HB2 H 1 2.011 0.024 . 2 . . . . 96 E QB . 17090 1 1206 . 1 1 96 96 GLU HB3 H 1 2.011 0.024 . 2 . . . . 96 E QB . 17090 1 1207 . 1 1 96 96 GLU HG2 H 1 2.112 0.024 . 2 . . . . 96 E HG2 . 17090 1 1208 . 1 1 96 96 GLU HG3 H 1 2.182 0.024 . 2 . . . . 96 E HG3 . 17090 1 1209 . 1 1 96 96 GLU C C 13 175.300 0.14 . 1 . . . . 96 E C . 17090 1 1210 . 1 1 96 96 GLU CA C 13 55.733 0.14 . 1 . . . . 96 E CA . 17090 1 1211 . 1 1 96 96 GLU CB C 13 31.046 0.14 . 1 . . . . 96 E CB . 17090 1 1212 . 1 1 96 96 GLU CG C 13 36.641 0.14 . 1 . . . . 96 E CG . 17090 1 1213 . 1 1 96 96 GLU N N 15 118.379 0.14 . 1 . . . . 96 E N . 17090 1 1214 . 1 1 97 97 LEU H H 1 7.394 0.024 . 1 . . . . 97 L H . 17090 1 1215 . 1 1 97 97 LEU HA H 1 4.018 0.024 . 1 . . . . 97 L HA . 17090 1 1216 . 1 1 97 97 LEU HB2 H 1 1.617 0.024 . 2 . . . . 97 L HB2 . 17090 1 1217 . 1 1 97 97 LEU HB3 H 1 1.520 0.024 . 2 . . . . 97 L HB3 . 17090 1 1218 . 1 1 97 97 LEU HD11 H 1 0.780 0.024 . 2 . . . . 97 L QQD . 17090 1 1219 . 1 1 97 97 LEU HD12 H 1 0.780 0.024 . 2 . . . . 97 L QQD . 17090 1 1220 . 1 1 97 97 LEU HD13 H 1 0.780 0.024 . 2 . . . . 97 L QQD . 17090 1 1221 . 1 1 97 97 LEU HD21 H 1 0.780 0.024 . 2 . . . . 97 L QQD . 17090 1 1222 . 1 1 97 97 LEU HD22 H 1 0.780 0.024 . 2 . . . . 97 L QQD . 17090 1 1223 . 1 1 97 97 LEU HD23 H 1 0.780 0.024 . 2 . . . . 97 L QQD . 17090 1 1224 . 1 1 97 97 LEU HG H 1 1.569 0.024 . 1 . . . . 97 L HG . 17090 1 1225 . 1 1 97 97 LEU C C 13 175.977 0.14 . 1 . . . . 97 L C . 17090 1 1226 . 1 1 97 97 LEU CA C 13 55.751 0.14 . 1 . . . . 97 L CA . 17090 1 1227 . 1 1 97 97 LEU CB C 13 41.564 0.14 . 1 . . . . 97 L CB . 17090 1 1228 . 1 1 97 97 LEU CD2 C 13 24.547 0.14 . 2 . . . . 97 L CD2 . 17090 1 1229 . 1 1 97 97 LEU CG C 13 26.466 0.14 . 1 . . . . 97 L CG . 17090 1 1230 . 1 1 97 97 LEU N N 15 121.933 0.14 . 1 . . . . 97 L N . 17090 1 1231 . 1 1 98 98 VAL H H 1 7.461 0.024 . 1 . . . . 98 V H . 17090 1 1232 . 1 1 98 98 VAL HA H 1 4.608 0.024 . 1 . . . . 98 V HA . 17090 1 1233 . 1 1 98 98 VAL HB H 1 2.213 0.024 . 1 . . . . 98 V HB . 17090 1 1234 . 1 1 98 98 VAL HG11 H 1 0.916 0.024 . 2 . . . . 98 V QG1 . 17090 1 1235 . 1 1 98 98 VAL HG12 H 1 0.916 0.024 . 2 . . . . 98 V QG1 . 17090 1 1236 . 1 1 98 98 VAL HG13 H 1 0.916 0.024 . 2 . . . . 98 V QG1 . 17090 1 1237 . 1 1 98 98 VAL HG21 H 1 0.841 0.024 . 2 . . . . 98 V QG2 . 17090 1 1238 . 1 1 98 98 VAL HG22 H 1 0.841 0.024 . 2 . . . . 98 V QG2 . 17090 1 1239 . 1 1 98 98 VAL HG23 H 1 0.841 0.024 . 2 . . . . 98 V QG2 . 17090 1 1240 . 1 1 98 98 VAL CA C 13 58.764 0.14 . 1 . . . . 98 V CA . 17090 1 1241 . 1 1 98 98 VAL CB C 13 32.885 0.14 . 1 . . . . 98 V CB . 17090 1 1242 . 1 1 98 98 VAL CG1 C 13 22.159 0.14 . 2 . . . . 98 V CG1 . 17090 1 1243 . 1 1 98 98 VAL CG2 C 13 19.613 0.14 . 2 . . . . 98 V CG2 . 17090 1 1244 . 1 1 98 98 VAL N N 15 119.416 0.14 . 1 . . . . 98 V N . 17090 1 1245 . 1 1 99 99 PRO HA H 1 4.314 0.024 . 1 . . . . 99 P HA . 17090 1 1246 . 1 1 99 99 PRO HB2 H 1 2.166 0.024 . 2 . . . . 99 P HB2 . 17090 1 1247 . 1 1 99 99 PRO HB3 H 1 1.888 0.024 . 2 . . . . 99 P HB3 . 17090 1 1248 . 1 1 99 99 PRO HD2 H 1 3.759 0.024 . 2 . . . . 99 P HD2 . 17090 1 1249 . 1 1 99 99 PRO HD3 H 1 3.841 0.024 . 2 . . . . 99 P HD3 . 17090 1 1250 . 1 1 99 99 PRO HG2 H 1 2.108 0.024 . 2 . . . . 99 P QG . 17090 1 1251 . 1 1 99 99 PRO HG3 H 1 2.108 0.024 . 2 . . . . 99 P QG . 17090 1 1252 . 1 1 99 99 PRO C C 13 177.524 0.14 . 1 . . . . 99 P C . 17090 1 1253 . 1 1 99 99 PRO CA C 13 66.100 0.14 . 1 . . . . 99 P CA . 17090 1 1254 . 1 1 99 99 PRO CB C 13 31.488 0.14 . 1 . . . . 99 P CB . 17090 1 1255 . 1 1 99 99 PRO CD C 13 50.745 0.14 . 1 . . . . 99 P CD . 17090 1 1256 . 1 1 99 99 PRO CG C 13 27.700 0.14 . 1 . . . . 99 P CG . 17090 1 1257 . 1 1 100 100 ARG H H 1 8.594 0.024 . 1 . . . . 100 R H . 17090 1 1258 . 1 1 100 100 ARG HA H 1 3.857 0.024 . 1 . . . . 100 R HA . 17090 1 1259 . 1 1 100 100 ARG HB2 H 1 1.567 0.024 . 2 . . . . 100 R HB2 . 17090 1 1260 . 1 1 100 100 ARG HB3 H 1 1.776 0.024 . 2 . . . . 100 R HB3 . 17090 1 1261 . 1 1 100 100 ARG HD2 H 1 3.149 0.024 . 2 . . . . 100 R QD . 17090 1 1262 . 1 1 100 100 ARG HD3 H 1 3.149 0.024 . 2 . . . . 100 R QD . 17090 1 1263 . 1 1 100 100 ARG HE H 1 8.067 0.024 . 1 . . . . 100 R HE . 17090 1 1264 . 1 1 100 100 ARG HG2 H 1 1.325 0.024 . 2 . . . . 100 R HG2 . 17090 1 1265 . 1 1 100 100 ARG HG3 H 1 1.374 0.024 . 2 . . . . 100 R HG3 . 17090 1 1266 . 1 1 100 100 ARG C C 13 177.744 0.14 . 1 . . . . 100 R C . 17090 1 1267 . 1 1 100 100 ARG CA C 13 60.412 0.14 . 1 . . . . 100 R CA . 17090 1 1268 . 1 1 100 100 ARG CB C 13 30.100 0.14 . 1 . . . . 100 R CB . 17090 1 1269 . 1 1 100 100 ARG CD C 13 42.575 0.14 . 1 . . . . 100 R CD . 17090 1 1270 . 1 1 100 100 ARG CG C 13 27.660 0.14 . 1 . . . . 100 R CG . 17090 1 1271 . 1 1 100 100 ARG N N 15 115.241 0.14 . 1 . . . . 100 R N . 17090 1 1272 . 1 1 100 100 ARG NE N 15 83.266 0.14 . 1 . . . . 100 R NE . 17090 1 1273 . 1 1 101 101 LYS H H 1 7.134 0.024 . 1 . . . . 101 K H . 17090 1 1274 . 1 1 101 101 LYS HA H 1 4.001 0.024 . 1 . . . . 101 K HA . 17090 1 1275 . 1 1 101 101 LYS HB2 H 1 1.318 0.024 . 2 . . . . 101 K HB2 . 17090 1 1276 . 1 1 101 101 LYS HB3 H 1 1.618 0.024 . 2 . . . . 101 K HB3 . 17090 1 1277 . 1 1 101 101 LYS HD2 H 1 1.260 0.024 . 2 . . . . 101 K HD2 . 17090 1 1278 . 1 1 101 101 LYS HD3 H 1 1.424 0.024 . 2 . . . . 101 K HD3 . 17090 1 1279 . 1 1 101 101 LYS HE2 H 1 2.646 0.024 . 2 . . . . 101 K QE . 17090 1 1280 . 1 1 101 101 LYS HE3 H 1 2.646 0.024 . 2 . . . . 101 K QE . 17090 1 1281 . 1 1 101 101 LYS HG2 H 1 1.330 0.024 . 2 . . . . 101 K HG2 . 17090 1 1282 . 1 1 101 101 LYS HG3 H 1 1.158 0.024 . 2 . . . . 101 K HG3 . 17090 1 1283 . 1 1 101 101 LYS C C 13 179.125 0.14 . 1 . . . . 101 K C . 17090 1 1284 . 1 1 101 101 LYS CA C 13 59.630 0.14 . 1 . . . . 101 K CA . 17090 1 1285 . 1 1 101 101 LYS CB C 13 31.761 0.14 . 1 . . . . 101 K CB . 17090 1 1286 . 1 1 101 101 LYS CD C 13 29.030 0.14 . 1 . . . . 101 K CD . 17090 1 1287 . 1 1 101 101 LYS CE C 13 42.070 0.14 . 1 . . . . 101 K CE . 17090 1 1288 . 1 1 101 101 LYS CG C 13 26.641 0.14 . 1 . . . . 101 K CG . 17090 1 1289 . 1 1 101 101 LYS N N 15 115.892 0.14 . 1 . . . . 101 K N . 17090 1 1290 . 1 1 102 102 THR H H 1 8.134 0.024 . 1 . . . . 102 T H . 17090 1 1291 . 1 1 102 102 THR HA H 1 4.104 0.024 . 1 . . . . 102 T HA . 17090 1 1292 . 1 1 102 102 THR HB H 1 4.315 0.024 . 1 . . . . 102 T HB . 17090 1 1293 . 1 1 102 102 THR HG21 H 1 1.259 0.024 . 1 . . . . 102 T QG2 . 17090 1 1294 . 1 1 102 102 THR HG22 H 1 1.259 0.024 . 1 . . . . 102 T QG2 . 17090 1 1295 . 1 1 102 102 THR HG23 H 1 1.259 0.024 . 1 . . . . 102 T QG2 . 17090 1 1296 . 1 1 102 102 THR C C 13 177.707 0.14 . 1 . . . . 102 T C . 17090 1 1297 . 1 1 102 102 THR CA C 13 66.349 0.14 . 1 . . . . 102 T CA . 17090 1 1298 . 1 1 102 102 THR CB C 13 68.225 0.14 . 1 . . . . 102 T CB . 17090 1 1299 . 1 1 102 102 THR CG2 C 13 22.503 0.14 . 1 . . . . 102 T CG2 . 17090 1 1300 . 1 1 102 102 THR N N 15 116.278 0.14 . 1 . . . . 102 T N . 17090 1 1301 . 1 1 103 103 ARG H H 1 8.643 0.024 . 1 . . . . 103 R H . 17090 1 1302 . 1 1 103 103 ARG HA H 1 4.060 0.024 . 1 . . . . 103 R HA . 17090 1 1303 . 1 1 103 103 ARG HB2 H 1 1.887 0.024 . 2 . . . . 103 R HB2 . 17090 1 1304 . 1 1 103 103 ARG HB3 H 1 2.042 0.024 . 2 . . . . 103 R HB3 . 17090 1 1305 . 1 1 103 103 ARG HD2 H 1 2.909 0.024 . 2 . . . . 103 R HD2 . 17090 1 1306 . 1 1 103 103 ARG HD3 H 1 3.290 0.024 . 2 . . . . 103 R HD3 . 17090 1 1307 . 1 1 103 103 ARG CA C 13 60.586 0.14 . 1 . . . . 103 R CA . 17090 1 1308 . 1 1 103 103 ARG CB C 13 29.336 0.14 . 1 . . . . 103 R CB . 17090 1 1309 . 1 1 103 103 ARG CD C 13 44.368 0.14 . 1 . . . . 103 R CD . 17090 1 1310 . 1 1 103 103 ARG N N 15 123.024 0.14 . 1 . . . . 103 R N . 17090 1 1311 . 1 1 104 104 ARG H H 1 7.825 0.024 . 1 . . . . 104 R H . 17090 1 1312 . 1 1 104 104 ARG HA H 1 4.176 0.024 . 1 . . . . 104 R HA . 17090 1 1313 . 1 1 104 104 ARG HB2 H 1 1.729 0.024 . 2 . . . . 104 R HB2 . 17090 1 1314 . 1 1 104 104 ARG HB3 H 1 1.677 0.024 . 2 . . . . 104 R HB3 . 17090 1 1315 . 1 1 104 104 ARG HD2 H 1 2.734 0.024 . 2 . . . . 104 R QD . 17090 1 1316 . 1 1 104 104 ARG HD3 H 1 2.734 0.024 . 2 . . . . 104 R QD . 17090 1 1317 . 1 1 104 104 ARG HE H 1 7.450 0.024 . 1 . . . . 104 R HE . 17090 1 1318 . 1 1 104 104 ARG HG2 H 1 1.229 0.024 . 2 . . . . 104 R QG . 17090 1 1319 . 1 1 104 104 ARG HG3 H 1 1.229 0.024 . 2 . . . . 104 R QG . 17090 1 1320 . 1 1 104 104 ARG CA C 13 59.820 0.14 . 1 . . . . 104 R CA . 17090 1 1321 . 1 1 104 104 ARG CB C 13 30.915 0.14 . 1 . . . . 104 R CB . 17090 1 1322 . 1 1 104 104 ARG CD C 13 43.390 0.14 . 1 . . . . 104 R CD . 17090 1 1323 . 1 1 104 104 ARG CG C 13 30.919 0.14 . 1 . . . . 104 R CG . 17090 1 1324 . 1 1 104 104 ARG N N 15 120.290 0.14 . 1 . . . . 104 R N . 17090 1 1325 . 1 1 104 104 ARG NE N 15 84.337 0.14 . 1 . . . . 104 R NE . 17090 1 1326 . 1 1 105 105 ALA H H 1 8.437 0.024 . 1 . . . . 105 A H . 17090 1 1327 . 1 1 105 105 ALA HA H 1 3.901 0.024 . 1 . . . . 105 A HA . 17090 1 1328 . 1 1 105 105 ALA HB1 H 1 1.579 0.024 . 1 . . . . 105 A QB . 17090 1 1329 . 1 1 105 105 ALA HB2 H 1 1.579 0.024 . 1 . . . . 105 A QB . 17090 1 1330 . 1 1 105 105 ALA HB3 H 1 1.579 0.024 . 1 . . . . 105 A QB . 17090 1 1331 . 1 1 105 105 ALA CA C 13 56.009 0.14 . 1 . . . . 105 A CA . 17090 1 1332 . 1 1 105 105 ALA CB C 13 17.055 0.14 . 1 . . . . 105 A CB . 17090 1 1333 . 1 1 105 105 ALA N N 15 125.360 0.14 . 1 . . . . 105 A N . 17090 1 1334 . 1 1 106 106 THR H H 1 8.221 0.024 . 1 . . . . 106 T H . 17090 1 1335 . 1 1 106 106 THR HA H 1 3.952 0.024 . 1 . . . . 106 T HA . 17090 1 1336 . 1 1 106 106 THR HB H 1 4.288 0.024 . 1 . . . . 106 T HB . 17090 1 1337 . 1 1 106 106 THR HG21 H 1 1.243 0.024 . 1 . . . . 106 T QG2 . 17090 1 1338 . 1 1 106 106 THR HG22 H 1 1.243 0.024 . 1 . . . . 106 T QG2 . 17090 1 1339 . 1 1 106 106 THR HG23 H 1 1.243 0.024 . 1 . . . . 106 T QG2 . 17090 1 1340 . 1 1 106 106 THR CA C 13 67.355 0.14 . 1 . . . . 106 T CA . 17090 1 1341 . 1 1 106 106 THR CB C 13 68.245 0.14 . 1 . . . . 106 T CB . 17090 1 1342 . 1 1 106 106 THR CG2 C 13 22.422 0.14 . 1 . . . . 106 T CG2 . 17090 1 1343 . 1 1 106 106 THR N N 15 118.311 0.14 . 1 . . . . 106 T N . 17090 1 1344 . 1 1 107 107 MET H H 1 8.026 0.024 . 1 . . . . 107 M H . 17090 1 1345 . 1 1 107 107 MET HA H 1 3.566 0.024 . 1 . . . . 107 M HA . 17090 1 1346 . 1 1 107 107 MET HB2 H 1 2.044 0.024 . 2 . . . . 107 M QB . 17090 1 1347 . 1 1 107 107 MET HB3 H 1 2.044 0.024 . 2 . . . . 107 M QB . 17090 1 1348 . 1 1 107 107 MET HE1 H 1 1.681 0.024 . 1 . . . . 107 M QE . 17090 1 1349 . 1 1 107 107 MET HE2 H 1 1.681 0.024 . 1 . . . . 107 M QE . 17090 1 1350 . 1 1 107 107 MET HE3 H 1 1.681 0.024 . 1 . . . . 107 M QE . 17090 1 1351 . 1 1 107 107 MET HG2 H 1 1.637 0.024 . 2 . . . . 107 M HG2 . 17090 1 1352 . 1 1 107 107 MET HG3 H 1 2.404 0.024 . 2 . . . . 107 M HG3 . 17090 1 1353 . 1 1 107 107 MET CA C 13 59.892 0.14 . 1 . . . . 107 M CA . 17090 1 1354 . 1 1 107 107 MET CB C 13 34.807 0.14 . 1 . . . . 107 M CB . 17090 1 1355 . 1 1 107 107 MET CE C 13 17.027 0.14 . 1 . . . . 107 M CE . 17090 1 1356 . 1 1 107 107 MET CG C 13 31.331 0.14 . 1 . . . . 107 M CG . 17090 1 1357 . 1 1 107 107 MET N N 15 120.528 0.14 . 1 . . . . 107 M N . 17090 1 1358 . 1 1 108 108 THR H H 1 7.723 0.024 . 1 . . . . 108 T H . 17090 1 1359 . 1 1 108 108 THR HA H 1 3.556 0.024 . 1 . . . . 108 T HA . 17090 1 1360 . 1 1 108 108 THR HB H 1 4.160 0.024 . 1 . . . . 108 T HB . 17090 1 1361 . 1 1 108 108 THR HG21 H 1 0.760 0.024 . 1 . . . . 108 T QG2 . 17090 1 1362 . 1 1 108 108 THR HG22 H 1 0.760 0.024 . 1 . . . . 108 T QG2 . 17090 1 1363 . 1 1 108 108 THR HG23 H 1 0.760 0.024 . 1 . . . . 108 T QG2 . 17090 1 1364 . 1 1 108 108 THR CA C 13 68.189 0.14 . 1 . . . . 108 T CA . 17090 1 1365 . 1 1 108 108 THR CB C 13 67.197 0.14 . 1 . . . . 108 T CB . 17090 1 1366 . 1 1 108 108 THR CG2 C 13 22.539 0.14 . 1 . . . . 108 T CG2 . 17090 1 1367 . 1 1 108 108 THR N N 15 116.312 0.14 . 1 . . . . 108 T N . 17090 1 1368 . 1 1 109 109 ASN H H 1 8.478 0.024 . 1 . . . . 109 N H . 17090 1 1369 . 1 1 109 109 ASN HA H 1 4.274 0.024 . 1 . . . . 109 N HA . 17090 1 1370 . 1 1 109 109 ASN HB2 H 1 3.080 0.024 . 2 . . . . 109 N HB2 . 17090 1 1371 . 1 1 109 109 ASN HB3 H 1 2.651 0.024 . 2 . . . . 109 N HB3 . 17090 1 1372 . 1 1 109 109 ASN HD21 H 1 7.156 0.024 . 2 . . . . 109 N HD21 . 17090 1 1373 . 1 1 109 109 ASN HD22 H 1 7.024 0.024 . 2 . . . . 109 N HD22 . 17090 1 1374 . 1 1 109 109 ASN CA C 13 56.443 0.14 . 1 . . . . 109 N CA . 17090 1 1375 . 1 1 109 109 ASN CB C 13 39.661 0.14 . 1 . . . . 109 N CB . 17090 1 1376 . 1 1 109 109 ASN N N 15 120.890 0.14 . 1 . . . . 109 N N . 17090 1 1377 . 1 1 109 109 ASN ND2 N 15 109.394 0.14 . 1 . . . . 109 N ND2 . 17090 1 1378 . 1 1 110 110 TRP H H 1 8.985 0.024 . 1 . . . . 110 W H . 17090 1 1379 . 1 1 110 110 TRP HA H 1 3.763 0.024 . 1 . . . . 110 W HA . 17090 1 1380 . 1 1 110 110 TRP HB2 H 1 3.423 0.024 . 2 . . . . 110 W HB2 . 17090 1 1381 . 1 1 110 110 TRP HB3 H 1 2.885 0.024 . 2 . . . . 110 W HB3 . 17090 1 1382 . 1 1 110 110 TRP HD1 H 1 7.036 0.024 . 1 . . . . 110 W HD1 . 17090 1 1383 . 1 1 110 110 TRP HE1 H 1 9.805 0.024 . 1 . . . . 110 W HE1 . 17090 1 1384 . 1 1 110 110 TRP HE3 H 1 6.930 0.024 . 1 . . . . 110 W HE3 . 17090 1 1385 . 1 1 110 110 TRP HH2 H 1 6.355 0.024 . 1 . . . . 110 W HH2 . 17090 1 1386 . 1 1 110 110 TRP HZ2 H 1 7.314 0.024 . 1 . . . . 110 W HZ2 . 17090 1 1387 . 1 1 110 110 TRP HZ3 H 1 6.351 0.024 . 1 . . . . 110 W HZ3 . 17090 1 1388 . 1 1 110 110 TRP CA C 13 63.490 0.14 . 1 . . . . 110 W CA . 17090 1 1389 . 1 1 110 110 TRP CB C 13 28.823 0.14 . 1 . . . . 110 W CB . 17090 1 1390 . 1 1 110 110 TRP CD1 C 13 127.588 0.14 . 1 . . . . 110 W CD1 . 17090 1 1391 . 1 1 110 110 TRP CE3 C 13 119.450 0.14 . 1 . . . . 110 W CE3 . 17090 1 1392 . 1 1 110 110 TRP CH2 C 13 123.852 0.14 . 1 . . . . 110 W CH2 . 17090 1 1393 . 1 1 110 110 TRP CZ2 C 13 115.238 0.14 . 1 . . . . 110 W CZ2 . 17090 1 1394 . 1 1 110 110 TRP CZ3 C 13 121.413 0.14 . 1 . . . . 110 W CZ3 . 17090 1 1395 . 1 1 110 110 TRP N N 15 121.272 0.14 . 1 . . . . 110 W N . 17090 1 1396 . 1 1 110 110 TRP NE1 N 15 129.500 0.14 . 1 . . . . 110 W NE1 . 17090 1 1397 . 1 1 111 111 LEU H H 1 8.515 0.024 . 1 . . . . 111 L H . 17090 1 1398 . 1 1 111 111 LEU HA H 1 3.918 0.024 . 1 . . . . 111 L HA . 17090 1 1399 . 1 1 111 111 LEU HB2 H 1 1.200 0.024 . 2 . . . . 111 L HB2 . 17090 1 1400 . 1 1 111 111 LEU HB3 H 1 2.083 0.024 . 2 . . . . 111 L HB3 . 17090 1 1401 . 1 1 111 111 LEU HD11 H 1 0.766 0.024 . 2 . . . . 111 L QQD . 17090 1 1402 . 1 1 111 111 LEU HD12 H 1 0.766 0.024 . 2 . . . . 111 L QQD . 17090 1 1403 . 1 1 111 111 LEU HD13 H 1 0.766 0.024 . 2 . . . . 111 L QQD . 17090 1 1404 . 1 1 111 111 LEU HD21 H 1 0.766 0.024 . 2 . . . . 111 L QQD . 17090 1 1405 . 1 1 111 111 LEU HD22 H 1 0.766 0.024 . 2 . . . . 111 L QQD . 17090 1 1406 . 1 1 111 111 LEU HD23 H 1 0.766 0.024 . 2 . . . . 111 L QQD . 17090 1 1407 . 1 1 111 111 LEU HG H 1 1.989 0.024 . 1 . . . . 111 L HG . 17090 1 1408 . 1 1 111 111 LEU C C 13 178.648 0.14 . 1 . . . . 111 L C . 17090 1 1409 . 1 1 111 111 LEU CA C 13 58.178 0.14 . 1 . . . . 111 L CA . 17090 1 1410 . 1 1 111 111 LEU CB C 13 42.922 0.14 . 1 . . . . 111 L CB . 17090 1 1411 . 1 1 111 111 LEU CD2 C 13 22.787 0.14 . 2 . . . . 111 L CD2 . 17090 1 1412 . 1 1 111 111 LEU CG C 13 27.700 0.14 . 1 . . . . 111 L CG . 17090 1 1413 . 1 1 111 111 LEU N N 15 120.809 0.14 . 1 . . . . 111 L N . 17090 1 1414 . 1 1 112 112 LEU H H 1 8.092 0.024 . 1 . . . . 112 L H . 17090 1 1415 . 1 1 112 112 LEU HA H 1 3.737 0.024 . 1 . . . . 112 L HA . 17090 1 1416 . 1 1 112 112 LEU HB2 H 1 1.225 0.024 . 2 . . . . 112 L HB2 . 17090 1 1417 . 1 1 112 112 LEU HB3 H 1 2.028 0.024 . 2 . . . . 112 L HB3 . 17090 1 1418 . 1 1 112 112 LEU HD11 H 1 0.578 0.024 . 2 . . . . 112 L QD1 . 17090 1 1419 . 1 1 112 112 LEU HD12 H 1 0.578 0.024 . 2 . . . . 112 L QD1 . 17090 1 1420 . 1 1 112 112 LEU HD13 H 1 0.578 0.024 . 2 . . . . 112 L QD1 . 17090 1 1421 . 1 1 112 112 LEU HD21 H 1 0.609 0.024 . 2 . . . . 112 L QD2 . 17090 1 1422 . 1 1 112 112 LEU HD22 H 1 0.609 0.024 . 2 . . . . 112 L QD2 . 17090 1 1423 . 1 1 112 112 LEU HD23 H 1 0.609 0.024 . 2 . . . . 112 L QD2 . 17090 1 1424 . 1 1 112 112 LEU HG H 1 1.494 0.024 . 1 . . . . 112 L HG . 17090 1 1425 . 1 1 112 112 LEU C C 13 178.873 0.14 . 1 . . . . 112 L C . 17090 1 1426 . 1 1 112 112 LEU CA C 13 57.989 0.14 . 1 . . . . 112 L CA . 17090 1 1427 . 1 1 112 112 LEU CB C 13 42.647 0.14 . 1 . . . . 112 L CB . 17090 1 1428 . 1 1 112 112 LEU CD1 C 13 25.954 0.14 . 2 . . . . 112 L CD1 . 17090 1 1429 . 1 1 112 112 LEU CD2 C 13 26.296 0.14 . 2 . . . . 112 L CD2 . 17090 1 1430 . 1 1 112 112 LEU CG C 13 27.175 0.14 . 1 . . . . 112 L CG . 17090 1 1431 . 1 1 112 112 LEU N N 15 120.572 0.14 . 1 . . . . 112 L N . 17090 1 1432 . 1 1 113 113 ALA H H 1 7.817 0.024 . 1 . . . . 113 A H . 17090 1 1433 . 1 1 113 113 ALA HA H 1 3.348 0.024 . 1 . . . . 113 A HA . 17090 1 1434 . 1 1 113 113 ALA HB1 H 1 1.349 0.024 . 1 . . . . 113 A QB . 17090 1 1435 . 1 1 113 113 ALA HB2 H 1 1.349 0.024 . 1 . . . . 113 A QB . 17090 1 1436 . 1 1 113 113 ALA HB3 H 1 1.349 0.024 . 1 . . . . 113 A QB . 17090 1 1437 . 1 1 113 113 ALA C C 13 178.794 0.14 . 1 . . . . 113 A C . 17090 1 1438 . 1 1 113 113 ALA CA C 13 54.615 0.14 . 1 . . . . 113 A CA . 17090 1 1439 . 1 1 113 113 ALA CB C 13 18.491 0.14 . 1 . . . . 113 A CB . 17090 1 1440 . 1 1 113 113 ALA N N 15 123.188 0.14 . 1 . . . . 113 A N . 17090 1 1441 . 1 1 114 114 TYR H H 1 8.509 0.024 . 1 . . . . 114 Y H . 17090 1 1442 . 1 1 114 114 TYR HA H 1 3.577 0.024 . 1 . . . . 114 Y HA . 17090 1 1443 . 1 1 114 114 TYR HB2 H 1 2.609 0.024 . 2 . . . . 114 Y HB2 . 17090 1 1444 . 1 1 114 114 TYR HB3 H 1 1.704 0.024 . 2 . . . . 114 Y HB3 . 17090 1 1445 . 1 1 114 114 TYR HD1 H 1 6.684 0.024 . 3 . . . . 114 Y QD . 17090 1 1446 . 1 1 114 114 TYR HD2 H 1 6.684 0.024 . 3 . . . . 114 Y QD . 17090 1 1447 . 1 1 114 114 TYR HE1 H 1 6.754 0.024 . 3 . . . . 114 Y QE . 17090 1 1448 . 1 1 114 114 TYR HE2 H 1 6.754 0.024 . 3 . . . . 114 Y QE . 17090 1 1449 . 1 1 114 114 TYR C C 13 178.193 0.14 . 1 . . . . 114 Y C . 17090 1 1450 . 1 1 114 114 TYR CA C 13 61.082 0.14 . 1 . . . . 114 Y CA . 17090 1 1451 . 1 1 114 114 TYR CB C 13 37.834 0.14 . 1 . . . . 114 Y CB . 17090 1 1452 . 1 1 114 114 TYR CD1 C 13 132.902 0.14 . 3 . . . . 114 Y CD1 . 17090 1 1453 . 1 1 114 114 TYR CE1 C 13 118.671 0.14 . 3 . . . . 114 Y CE1 . 17090 1 1454 . 1 1 114 114 TYR N N 15 123.148 0.14 . 1 . . . . 114 Y N . 17090 1 1455 . 1 1 115 115 ARG H H 1 8.298 0.024 . 1 . . . . 115 R H . 17090 1 1456 . 1 1 115 115 ARG HA H 1 3.806 0.024 . 1 . . . . 115 R HA . 17090 1 1457 . 1 1 115 115 ARG HB2 H 1 1.721 0.024 . 2 . . . . 115 R HB2 . 17090 1 1458 . 1 1 115 115 ARG HB3 H 1 1.989 0.024 . 2 . . . . 115 R HB3 . 17090 1 1459 . 1 1 115 115 ARG HD2 H 1 3.311 0.024 . 2 . . . . 115 R HD2 . 17090 1 1460 . 1 1 115 115 ARG HD3 H 1 3.001 0.024 . 2 . . . . 115 R HD3 . 17090 1 1461 . 1 1 115 115 ARG HE H 1 7.761 0.024 . 1 . . . . 115 R HE . 17090 1 1462 . 1 1 115 115 ARG HG2 H 1 1.621 0.024 . 2 . . . . 115 R HG2 . 17090 1 1463 . 1 1 115 115 ARG HG3 H 1 1.749 0.024 . 2 . . . . 115 R HG3 . 17090 1 1464 . 1 1 115 115 ARG C C 13 178.190 0.14 . 1 . . . . 115 R C . 17090 1 1465 . 1 1 115 115 ARG CA C 13 59.371 0.14 . 1 . . . . 115 R CA . 17090 1 1466 . 1 1 115 115 ARG CB C 13 30.998 0.14 . 1 . . . . 115 R CB . 17090 1 1467 . 1 1 115 115 ARG CD C 13 45.212 0.14 . 1 . . . . 115 R CD . 17090 1 1468 . 1 1 115 115 ARG CG C 13 25.683 0.14 . 1 . . . . 115 R CG . 17090 1 1469 . 1 1 115 115 ARG N N 15 120.324 0.14 . 1 . . . . 115 R N . 17090 1 1470 . 1 1 115 115 ARG NE N 15 82.616 0.14 . 1 . . . . 115 R NE . 17090 1 1471 . 1 1 116 116 ARG H H 1 7.389 0.024 . 1 . . . . 116 R H . 17090 1 1472 . 1 1 116 116 ARG HA H 1 3.917 0.024 . 1 . . . . 116 R HA . 17090 1 1473 . 1 1 116 116 ARG HB2 H 1 1.560 0.024 . 2 . . . . 116 R HB2 . 17090 1 1474 . 1 1 116 116 ARG HB3 H 1 1.438 0.024 . 2 . . . . 116 R HB3 . 17090 1 1475 . 1 1 116 116 ARG HD2 H 1 2.940 0.024 . 2 . . . . 116 R HD2 . 17090 1 1476 . 1 1 116 116 ARG HD3 H 1 2.855 0.024 . 2 . . . . 116 R HD3 . 17090 1 1477 . 1 1 116 116 ARG HE H 1 7.136 0.024 . 1 . . . . 116 R HE . 17090 1 1478 . 1 1 116 116 ARG HG2 H 1 1.331 0.024 . 2 . . . . 116 R HG2 . 17090 1 1479 . 1 1 116 116 ARG HG3 H 1 1.076 0.024 . 2 . . . . 116 R HG3 . 17090 1 1480 . 1 1 116 116 ARG C C 13 178.143 0.14 . 1 . . . . 116 R C . 17090 1 1481 . 1 1 116 116 ARG CA C 13 57.400 0.14 . 1 . . . . 116 R CA . 17090 1 1482 . 1 1 116 116 ARG CB C 13 29.206 0.14 . 1 . . . . 116 R CB . 17090 1 1483 . 1 1 116 116 ARG CD C 13 42.160 0.14 . 1 . . . . 116 R CD . 17090 1 1484 . 1 1 116 116 ARG CG C 13 26.769 0.14 . 1 . . . . 116 R CG . 17090 1 1485 . 1 1 116 116 ARG N N 15 118.260 0.14 . 1 . . . . 116 R N . 17090 1 1486 . 1 1 116 116 ARG NE N 15 83.922 0.14 . 1 . . . . 116 R NE . 17090 1 1487 . 1 1 117 117 SER H H 1 7.722 0.024 . 1 . . . . 117 S H . 17090 1 1488 . 1 1 117 117 SER HA H 1 4.332 0.024 . 1 . . . . 117 S HA . 17090 1 1489 . 1 1 117 117 SER HB2 H 1 3.893 0.024 . 2 . . . . 117 S HB2 . 17090 1 1490 . 1 1 117 117 SER HB3 H 1 3.844 0.024 . 2 . . . . 117 S HB3 . 17090 1 1491 . 1 1 117 117 SER C C 13 174.542 0.14 . 1 . . . . 117 S C . 17090 1 1492 . 1 1 117 117 SER CA C 13 60.173 0.14 . 1 . . . . 117 S CA . 17090 1 1493 . 1 1 117 117 SER CB C 13 63.566 0.14 . 1 . . . . 117 S CB . 17090 1 1494 . 1 1 117 117 SER N N 15 114.132 0.14 . 1 . . . . 117 S N . 17090 1 1495 . 1 1 118 118 GLN H H 1 7.264 0.024 . 1 . . . . 118 Q H . 17090 1 1496 . 1 1 118 118 GLN HA H 1 4.083 0.024 . 1 . . . . 118 Q HA . 17090 1 1497 . 1 1 118 118 GLN HB2 H 1 1.796 0.024 . 2 . . . . 118 Q HB2 . 17090 1 1498 . 1 1 118 118 GLN HB3 H 1 2.035 0.024 . 2 . . . . 118 Q HB3 . 17090 1 1499 . 1 1 118 118 GLN HE21 H 1 6.805 0.024 . 2 . . . . 118 Q HE21 . 17090 1 1500 . 1 1 118 118 GLN HE22 H 1 6.686 0.024 . 2 . . . . 118 Q HE22 . 17090 1 1501 . 1 1 118 118 GLN HG2 H 1 1.952 0.024 . 2 . . . . 118 Q QG . 17090 1 1502 . 1 1 118 118 GLN HG3 H 1 1.952 0.024 . 2 . . . . 118 Q QG . 17090 1 1503 . 1 1 118 118 GLN C C 13 175.617 0.14 . 1 . . . . 118 Q C . 17090 1 1504 . 1 1 118 118 GLN CA C 13 55.855 0.14 . 1 . . . . 118 Q CA . 17090 1 1505 . 1 1 118 118 GLN CB C 13 29.180 0.14 . 1 . . . . 118 Q CB . 17090 1 1506 . 1 1 118 118 GLN CG C 13 33.736 0.14 . 1 . . . . 118 Q CG . 17090 1 1507 . 1 1 118 118 GLN N N 15 119.638 0.14 . 1 . . . . 118 Q N . 17090 1 1508 . 1 1 118 118 GLN NE2 N 15 112.863 0.14 . 1 . . . . 118 Q NE2 . 17090 1 1509 . 1 1 119 119 GLN H H 1 7.657 0.024 . 1 . . . . 119 Q H . 17090 1 1510 . 1 1 119 119 GLN HA H 1 4.280 0.024 . 1 . . . . 119 Q HA . 17090 1 1511 . 1 1 119 119 GLN HB2 H 1 2.101 0.024 . 2 . . . . 119 Q HB2 . 17090 1 1512 . 1 1 119 119 GLN HB3 H 1 1.936 0.024 . 2 . . . . 119 Q HB3 . 17090 1 1513 . 1 1 119 119 GLN HE21 H 1 7.413 0.024 . 2 . . . . 119 Q HE21 . 17090 1 1514 . 1 1 119 119 GLN HE22 H 1 6.745 0.024 . 2 . . . . 119 Q HE22 . 17090 1 1515 . 1 1 119 119 GLN HG2 H 1 2.319 0.024 . 2 . . . . 119 Q QG . 17090 1 1516 . 1 1 119 119 GLN HG3 H 1 2.319 0.024 . 2 . . . . 119 Q QG . 17090 1 1517 . 1 1 119 119 GLN C C 13 174.549 0.14 . 1 . . . . 119 Q C . 17090 1 1518 . 1 1 119 119 GLN CA C 13 55.688 0.14 . 1 . . . . 119 Q CA . 17090 1 1519 . 1 1 119 119 GLN CB C 13 30.051 0.14 . 1 . . . . 119 Q CB . 17090 1 1520 . 1 1 119 119 GLN CG C 13 33.952 0.14 . 1 . . . . 119 Q CG . 17090 1 1521 . 1 1 119 119 GLN N N 15 119.245 0.14 . 1 . . . . 119 Q N . 17090 1 1522 . 1 1 119 119 GLN NE2 N 15 112.002 0.14 . 1 . . . . 119 Q NE2 . 17090 1 1523 . 1 1 120 120 ASP H H 1 7.799 0.024 . 1 . . . . 120 D H . 17090 1 1524 . 1 1 120 120 ASP HA H 1 4.328 0.024 . 1 . . . . 120 D HA . 17090 1 1525 . 1 1 120 120 ASP HB2 H 1 2.628 0.024 . 2 . . . . 120 D HB2 . 17090 1 1526 . 1 1 120 120 ASP HB3 H 1 2.512 0.024 . 2 . . . . 120 D HB3 . 17090 1 1527 . 1 1 120 120 ASP CA C 13 56.030 0.14 . 1 . . . . 120 D CA . 17090 1 1528 . 1 1 120 120 ASP CB C 13 42.173 0.14 . 1 . . . . 120 D CB . 17090 1 1529 . 1 1 120 120 ASP N N 15 126.842 0.14 . 1 . . . . 120 D N . 17090 1 stop_ save_