data_17534 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17534 _Entry.Title ; NMR resonance assignment of the autoimmunity protein SpaI from Bacillus subtilis ATCC 6633 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-03-18 _Entry.Accession_date 2011-03-18 _Entry.Last_release_date 2012-05-10 _Entry.Original_release_date 2012-05-10 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 'Nina Alexandra' Christ . A. . 17534 2 Elke Duchardt-Ferner . . . 17534 3 Stefanie Duesterhus . . . 17534 4 Peter Koetter . . . 17534 5 Karl-Dieter Entian . . . 17534 6 Jens Woehnert . . . 17534 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17534 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 564 17534 '15N chemical shifts' 137 17534 '1H chemical shifts' 893 17534 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 . . 2012-05-10 2011-03-18 original author . 17534 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LVL 'BMRB Entry Tracking System' 17534 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17534 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21643970 _Citation.Full_citation . _Citation.Title 'NMR resonance assignment of the autoimmunity protein SpaI from Bacillus subtilis ATCC 6633.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 6 _Citation.Journal_issue 1 _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 9 _Citation.Page_last 13 _Citation.Year 2012 _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 'Nina Alexandra' Christ . . . 17534 1 2 Elke Duchardt-Ferner . . . 17534 1 3 Stefanie Dusterhus . . . 17534 1 4 Peter Kotter . . . 17534 1 5 Karl-Dieter Entian . . . 17534 1 6 Jens Wohnert . . . 17534 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17534 _Assembly.ID 1 _Assembly.Name 'SpaI monomer' _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 15000 _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 'SpaI monomer' 1 $SpaI A . yes native no no . . . 17534 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SpaI _Entity.Sf_category entity _Entity.Sf_framecode SpaI _Entity.Entry_ID 17534 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SpaI _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSTMHFTDDNENDTSETMES LIDKGKLDQVVYDDQLYHLK EKVDEDKKGKVIGAIGQTFF VDGDGKRWSEEELKEPYISN NPDEIREKKPLRYGKVYSTN EDSDAKDEIIVEFNREYYRA VLIKNEKE ; _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 128 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 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 2LVL . "Nmr Structure The Lantibiotic Immunity Protein Spai" . . . . . 100.00 128 100.00 100.00 1.39e-85 . . . . 17534 1 2 no GB AAB91598 . "SpaI [Bacillus subtilis subsp. spizizenii ATCC 6633]" . . . . . 98.44 165 100.00 100.00 1.95e-84 . . . . 17534 1 3 no GB ADM39343 . "hypothetical protein BSUW23_16540 [Bacillus subtilis subsp. spizizenii str. W23]" . . . . . 98.44 164 100.00 100.00 2.59e-84 . . . . 17534 1 4 no GB AJD37803 . "SpaI protein [Bacillus subtilis subsp. spizizenii]" . . . . . 98.44 164 100.00 100.00 2.59e-84 . . . . 17534 1 5 no GB AJW87462 . "SpaI protein [Bacillus subtilis]" . . . . . 98.44 164 100.00 100.00 2.59e-84 . . . . 17534 1 6 no GB EFG93306 . "hypothetical protein BSU6633_04999 [Bacillus subtilis subsp. spizizenii ATCC 6633]" . . . . . 98.44 164 100.00 100.00 2.59e-84 . . . . 17534 1 7 no REF WP_003220043 . "hypothetical protein [Bacillus subtilis]" . . . . . 98.44 164 100.00 100.00 2.59e-84 . . . . 17534 1 8 no REF WP_041905979 . "SpaI protein [Bacillus sp. BSC154]" . . . . . 98.44 164 98.41 99.21 9.81e-83 . . . . 17534 1 9 no REF WP_044445585 . "SpaI protein [Bacillus subtilis]" . . . . . 98.44 163 99.21 99.21 3.02e-83 . . . . 17534 1 10 no REF WP_045385074 . "SpaI protein [Bacillus subtilis]" . . . . . 98.44 164 99.21 99.21 1.09e-83 . . . . 17534 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 . GLY . 17534 1 2 . SER . 17534 1 3 . THR . 17534 1 4 . MET . 17534 1 5 . HIS . 17534 1 6 . PHE . 17534 1 7 . THR . 17534 1 8 . ASP . 17534 1 9 . ASP . 17534 1 10 . ASN . 17534 1 11 . GLU . 17534 1 12 . ASN . 17534 1 13 . ASP . 17534 1 14 . THR . 17534 1 15 . SER . 17534 1 16 . GLU . 17534 1 17 . THR . 17534 1 18 . MET . 17534 1 19 . GLU . 17534 1 20 . SER . 17534 1 21 . LEU . 17534 1 22 . ILE . 17534 1 23 . ASP . 17534 1 24 . LYS . 17534 1 25 . GLY . 17534 1 26 . LYS . 17534 1 27 . LEU . 17534 1 28 . ASP . 17534 1 29 . GLN . 17534 1 30 . VAL . 17534 1 31 . VAL . 17534 1 32 . TYR . 17534 1 33 . ASP . 17534 1 34 . ASP . 17534 1 35 . GLN . 17534 1 36 . LEU . 17534 1 37 . TYR . 17534 1 38 . HIS . 17534 1 39 . LEU . 17534 1 40 . LYS . 17534 1 41 . GLU . 17534 1 42 . LYS . 17534 1 43 . VAL . 17534 1 44 . ASP . 17534 1 45 . GLU . 17534 1 46 . ASP . 17534 1 47 . LYS . 17534 1 48 . LYS . 17534 1 49 . GLY . 17534 1 50 . LYS . 17534 1 51 . VAL . 17534 1 52 . ILE . 17534 1 53 . GLY . 17534 1 54 . ALA . 17534 1 55 . ILE . 17534 1 56 . GLY . 17534 1 57 . GLN . 17534 1 58 . THR . 17534 1 59 . PHE . 17534 1 60 . PHE . 17534 1 61 . VAL . 17534 1 62 . ASP . 17534 1 63 . GLY . 17534 1 64 . ASP . 17534 1 65 . GLY . 17534 1 66 . LYS . 17534 1 67 . ARG . 17534 1 68 . TRP . 17534 1 69 . SER . 17534 1 70 . GLU . 17534 1 71 . GLU . 17534 1 72 . GLU . 17534 1 73 . LEU . 17534 1 74 . LYS . 17534 1 75 . GLU . 17534 1 76 . PRO . 17534 1 77 . TYR . 17534 1 78 . ILE . 17534 1 79 . SER . 17534 1 80 . ASN . 17534 1 81 . ASN . 17534 1 82 . PRO . 17534 1 83 . ASP . 17534 1 84 . GLU . 17534 1 85 . ILE . 17534 1 86 . ARG . 17534 1 87 . GLU . 17534 1 88 . LYS . 17534 1 89 . LYS . 17534 1 90 . PRO . 17534 1 91 . LEU . 17534 1 92 . ARG . 17534 1 93 . TYR . 17534 1 94 . GLY . 17534 1 95 . LYS . 17534 1 96 . VAL . 17534 1 97 . TYR . 17534 1 98 . SER . 17534 1 99 . THR . 17534 1 100 . ASN . 17534 1 101 . GLU . 17534 1 102 . ASP . 17534 1 103 . SER . 17534 1 104 . ASP . 17534 1 105 . ALA . 17534 1 106 . LYS . 17534 1 107 . ASP . 17534 1 108 . GLU . 17534 1 109 . ILE . 17534 1 110 . ILE . 17534 1 111 . VAL . 17534 1 112 . GLU . 17534 1 113 . PHE . 17534 1 114 . ASN . 17534 1 115 . ARG . 17534 1 116 . GLU . 17534 1 117 . TYR . 17534 1 118 . TYR . 17534 1 119 . ARG . 17534 1 120 . ALA . 17534 1 121 . VAL . 17534 1 122 . LEU . 17534 1 123 . ILE . 17534 1 124 . LYS . 17534 1 125 . ASN . 17534 1 126 . GLU . 17534 1 127 . LYS . 17534 1 128 . GLU . 17534 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 . GLY 1 1 17534 1 . SER 2 2 17534 1 . THR 3 3 17534 1 . MET 4 4 17534 1 . HIS 5 5 17534 1 . PHE 6 6 17534 1 . THR 7 7 17534 1 . ASP 8 8 17534 1 . ASP 9 9 17534 1 . ASN 10 10 17534 1 . GLU 11 11 17534 1 . ASN 12 12 17534 1 . ASP 13 13 17534 1 . THR 14 14 17534 1 . SER 15 15 17534 1 . GLU 16 16 17534 1 . THR 17 17 17534 1 . MET 18 18 17534 1 . GLU 19 19 17534 1 . SER 20 20 17534 1 . LEU 21 21 17534 1 . ILE 22 22 17534 1 . ASP 23 23 17534 1 . LYS 24 24 17534 1 . GLY 25 25 17534 1 . LYS 26 26 17534 1 . LEU 27 27 17534 1 . ASP 28 28 17534 1 . GLN 29 29 17534 1 . VAL 30 30 17534 1 . VAL 31 31 17534 1 . TYR 32 32 17534 1 . ASP 33 33 17534 1 . ASP 34 34 17534 1 . GLN 35 35 17534 1 . LEU 36 36 17534 1 . TYR 37 37 17534 1 . HIS 38 38 17534 1 . LEU 39 39 17534 1 . LYS 40 40 17534 1 . GLU 41 41 17534 1 . LYS 42 42 17534 1 . VAL 43 43 17534 1 . ASP 44 44 17534 1 . GLU 45 45 17534 1 . ASP 46 46 17534 1 . LYS 47 47 17534 1 . LYS 48 48 17534 1 . GLY 49 49 17534 1 . LYS 50 50 17534 1 . VAL 51 51 17534 1 . ILE 52 52 17534 1 . GLY 53 53 17534 1 . ALA 54 54 17534 1 . ILE 55 55 17534 1 . GLY 56 56 17534 1 . GLN 57 57 17534 1 . THR 58 58 17534 1 . PHE 59 59 17534 1 . PHE 60 60 17534 1 . VAL 61 61 17534 1 . ASP 62 62 17534 1 . GLY 63 63 17534 1 . ASP 64 64 17534 1 . GLY 65 65 17534 1 . LYS 66 66 17534 1 . ARG 67 67 17534 1 . TRP 68 68 17534 1 . SER 69 69 17534 1 . GLU 70 70 17534 1 . GLU 71 71 17534 1 . GLU 72 72 17534 1 . LEU 73 73 17534 1 . LYS 74 74 17534 1 . GLU 75 75 17534 1 . PRO 76 76 17534 1 . TYR 77 77 17534 1 . ILE 78 78 17534 1 . SER 79 79 17534 1 . ASN 80 80 17534 1 . ASN 81 81 17534 1 . PRO 82 82 17534 1 . ASP 83 83 17534 1 . GLU 84 84 17534 1 . ILE 85 85 17534 1 . ARG 86 86 17534 1 . GLU 87 87 17534 1 . LYS 88 88 17534 1 . LYS 89 89 17534 1 . PRO 90 90 17534 1 . LEU 91 91 17534 1 . ARG 92 92 17534 1 . TYR 93 93 17534 1 . GLY 94 94 17534 1 . LYS 95 95 17534 1 . VAL 96 96 17534 1 . TYR 97 97 17534 1 . SER 98 98 17534 1 . THR 99 99 17534 1 . ASN 100 100 17534 1 . GLU 101 101 17534 1 . ASP 102 102 17534 1 . SER 103 103 17534 1 . ASP 104 104 17534 1 . ALA 105 105 17534 1 . LYS 106 106 17534 1 . ASP 107 107 17534 1 . GLU 108 108 17534 1 . ILE 109 109 17534 1 . ILE 110 110 17534 1 . VAL 111 111 17534 1 . GLU 112 112 17534 1 . PHE 113 113 17534 1 . ASN 114 114 17534 1 . ARG 115 115 17534 1 . GLU 116 116 17534 1 . TYR 117 117 17534 1 . TYR 118 118 17534 1 . ARG 119 119 17534 1 . ALA 120 120 17534 1 . VAL 121 121 17534 1 . LEU 122 122 17534 1 . ILE 123 123 17534 1 . LYS 124 124 17534 1 . ASN 125 125 17534 1 . GLU 126 126 17534 1 . LYS 127 127 17534 1 . GLU 128 128 17534 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 17534 _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 $SpaI . 1423 organism . 'Bacillus subtilis' 'Bacillus subtilis' . . Bacteria . Bacillus subtilis . . . . . . . . . . . . . . . . . . . . . 17534 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 17534 _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 $SpaI . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pPK571 . . . . . . 17534 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N _Sample.Sf_category sample _Sample.Sf_framecode 15N _Sample.Entry_ID 17534 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 2 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17534 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17534 1 3 DSS 'natural abundance' . . . . . . 10 . . uM . . . . 17534 1 4 SpaI [U-15N] . . 1 $SpaI . . . 300 400 uM . . . . 17534 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17534 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17534 1 stop_ save_ save_2H15N13C _Sample.Sf_category sample _Sample.Sf_framecode 2H15N13C _Sample.Entry_ID 17534 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17534 2 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17534 2 3 DSS 'natural abundance' . . . . . . 10 . . uM . . . . 17534 2 4 SpaI '[U-13C; U-15N; U-2H]' . . 1 $SpaI . . 420 . . uM . . . . 17534 2 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17534 2 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17534 2 stop_ save_ save_15N13C _Sample.Sf_category sample _Sample.Sf_framecode 15N13C _Sample.Entry_ID 17534 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 4 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17534 3 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17534 3 3 DSS 'natural abundance' . . . . . . 10 . . uM . . . . 17534 3 4 SpaI '[U-13C; U-15N]' . . 1 $SpaI . . . 300 400 uM . . . . 17534 3 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17534 3 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17534 3 stop_ save_ save_15N13C_D2O _Sample.Sf_category sample _Sample.Sf_framecode 15N13C_D2O _Sample.Entry_ID 17534 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% D2O/10% H2O' _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 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17534 4 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17534 4 3 DSS 'natural abundance' . . . . . . 10 . . uM . . . . 17534 4 4 SpaI '[U-13C; U-15N]' . . 1 $SpaI . . 300 . . uM . . . . 17534 4 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17534 4 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17534 4 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 17534 _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' 100 . mM 17534 1 pH 6.4 . pH 17534 1 pressure 1 . atm 17534 1 temperature 296 . K 17534 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17534 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17534 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17534 1 processing 17534 1 stop_ save_ save_CCPN_Analysis _Software.Sf_category software _Software.Sf_framecode CCPN_Analysis _Software.Entry_ID 17534 _Software.ID 2 _Software.Name CCPN_Analysis _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 17534 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17534 2 'data analysis' 17534 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 17534 _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' . . 17534 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17534 3 'data analysis' 17534 3 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 17534 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17534 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 17534 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 17534 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_spectrometer_5 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_5 _NMR_spectrometer.Entry_ID 17534 _NMR_spectrometer.ID 5 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17534 _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 . 600 . . . 17534 1 2 spectrometer_2 Bruker Avance . 700 . . . 17534 1 3 spectrometer_3 Bruker Avance . 800 . . . 17534 1 4 spectrometer_4 Bruker Avance . 950 . . . 17534 1 5 spectrometer_5 Bruker Avance . 900 . . . 17534 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 17534 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $15N isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17534 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 4 $15N13C_D2O isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17534 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 3 $15N13C isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17534 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 3 $15N13C isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17534 1 5 '3D HNCO' no . . . . . . . . . . 2 $2H15N13C isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17534 1 6 '3D HNCA' no . . . . . . . . . . 2 $2H15N13C isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17534 1 7 '3D HNCACB' no . . . . . . . . . . 2 $2H15N13C isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17534 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 3 $15N13C isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17534 1 9 '3D H(CCO)NH' no . . . . . . . . . . 3 $15N13C isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17534 1 10 '3D C(CO)NH' no . . . . . . . . . . 3 $15N13C isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17534 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . 4 $15N13C_D2O isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17534 1 12 '3D HCCH-COSY' no . . . . . . . . . . 4 $15N13C_D2O isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17534 1 13 '3D HNHA' no . . . . . . . . . . 1 $15N isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17534 1 14 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $15N isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17534 1 15 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 3 $15N13C isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17534 1 16 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 4 $15N13C_D2O isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17534 1 17 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 3 $15N13C isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17534 1 18 '3D HNCACO' no . . . . . . . . . . 2 $2H15N13C isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17534 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 17534 _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 . indirect 0.251449530 . . . . . . . . . 17534 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17534 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17534 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 17534 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17534 1 2 '2D 1H-13C HSQC aliphatic' . . . 17534 1 3 '2D 1H-13C HSQC aromatic' . . . 17534 1 4 '3D CBCA(CO)NH' . . . 17534 1 5 '3D HNCO' . . . 17534 1 6 '3D HNCA' . . . 17534 1 7 '3D HNCACB' . . . 17534 1 8 '3D HBHA(CO)NH' . . . 17534 1 9 '3D H(CCO)NH' . . . 17534 1 10 '3D C(CO)NH' . . . 17534 1 11 '3D HCCH-TOCSY' . . . 17534 1 12 '3D HCCH-COSY' . . . 17534 1 13 '3D HNHA' . . . 17534 1 15 '3D 1H-13C NOESY aliphatic' . . . 17534 1 16 '3D 1H-13C NOESY aliphatic' . . . 17534 1 17 '3D 1H-13C NOESY aromatic' . . . 17534 1 18 '3D HNCACO' . . . 17534 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 2 2 SER HA H 1 4.587 0.050 . 1 . . . . 2 Ser HA . 17534 1 2 . 1 1 2 2 SER HB2 H 1 3.901 0.050 . 1 . . . . 2 Ser HB2 . 17534 1 3 . 1 1 2 2 SER HB3 H 1 3.901 0.050 . 1 . . . . 2 Ser HB3 . 17534 1 4 . 1 1 2 2 SER C C 13 174.822 0.200 . 1 . . . . 2 Ser C . 17534 1 5 . 1 1 2 2 SER CA C 13 58.305 0.200 . 1 . . . . 2 Ser CA . 17534 1 6 . 1 1 2 2 SER CB C 13 63.996 0.200 . 1 . . . . 2 Ser CB . 17534 1 7 . 1 1 3 3 THR H H 1 8.367 0.050 . 1 . . . . 3 Thr H . 17534 1 8 . 1 1 3 3 THR HA H 1 4.296 0.050 . 1 . . . . 3 Thr HA . 17534 1 9 . 1 1 3 3 THR HB H 1 4.190 0.050 . 1 . . . . 3 Thr HB . 17534 1 10 . 1 1 3 3 THR HG21 H 1 1.154 0.050 . 1 . . . . 3 Thr HG21 . 17534 1 11 . 1 1 3 3 THR HG22 H 1 1.154 0.050 . 1 . . . . 3 Thr HG22 . 17534 1 12 . 1 1 3 3 THR HG23 H 1 1.154 0.050 . 1 . . . . 3 Thr HG23 . 17534 1 13 . 1 1 3 3 THR C C 13 174.381 0.200 . 1 . . . . 3 Thr C . 17534 1 14 . 1 1 3 3 THR CA C 13 61.627 0.200 . 1 . . . . 3 Thr CA . 17534 1 15 . 1 1 3 3 THR CB C 13 69.700 0.200 . 1 . . . . 3 Thr CB . 17534 1 16 . 1 1 3 3 THR CG2 C 13 21.587 0.200 . 1 . . . . 3 Thr CG2 . 17534 1 17 . 1 1 3 3 THR N N 15 116.560 0.300 . 1 . . . . 3 Thr N . 17534 1 18 . 1 1 4 4 MET H H 1 8.364 0.050 . 1 . . . . 4 Met H . 17534 1 19 . 1 1 4 4 MET HA H 1 4.372 0.050 . 1 . . . . 4 Met HA . 17534 1 20 . 1 1 4 4 MET HB2 H 1 1.877 0.050 . 1 . . . . 4 Met HB2 . 17534 1 21 . 1 1 4 4 MET HB3 H 1 1.877 0.050 . 1 . . . . 4 Met HB3 . 17534 1 22 . 1 1 4 4 MET HG2 H 1 2.460 0.050 . 2 . . . . 4 Met HG2 . 17534 1 23 . 1 1 4 4 MET HG3 H 1 2.413 0.050 . 2 . . . . 4 Met HG3 . 17534 1 24 . 1 1 4 4 MET C C 13 175.449 0.200 . 1 . . . . 4 Met C . 17534 1 25 . 1 1 4 4 MET CA C 13 55.461 0.200 . 1 . . . . 4 Met CA . 17534 1 26 . 1 1 4 4 MET CB C 13 32.976 0.200 . 1 . . . . 4 Met CB . 17534 1 27 . 1 1 4 4 MET CG C 13 31.958 0.200 . 1 . . . . 4 Met CG . 17534 1 28 . 1 1 4 4 MET N N 15 122.663 0.300 . 1 . . . . 4 Met N . 17534 1 29 . 1 1 5 5 HIS H H 1 8.344 0.050 . 1 . . . . 5 His H . 17534 1 30 . 1 1 5 5 HIS HA H 1 4.648 0.050 . 1 . . . . 5 His HA . 17534 1 31 . 1 1 5 5 HIS HB2 H 1 3.130 0.050 . 2 . . . . 5 His HB2 . 17534 1 32 . 1 1 5 5 HIS HB3 H 1 3.040 0.050 . 2 . . . . 5 His HB3 . 17534 1 33 . 1 1 5 5 HIS HD2 H 1 7.129 0.050 . 1 . . . . 5 His HD2 . 17534 1 34 . 1 1 5 5 HIS C C 13 174.161 0.200 . 1 . . . . 5 His C . 17534 1 35 . 1 1 5 5 HIS CA C 13 55.318 0.200 . 1 . . . . 5 His CA . 17534 1 36 . 1 1 5 5 HIS CB C 13 29.832 0.200 . 1 . . . . 5 His CB . 17534 1 37 . 1 1 5 5 HIS CD2 C 13 119.887 0.200 . 1 . . . . 5 His CD2 . 17534 1 38 . 1 1 5 5 HIS N N 15 120.166 0.300 . 1 . . . . 5 His N . 17534 1 39 . 1 1 6 6 PHE H H 1 8.389 0.050 . 1 . . . . 6 Phe H . 17534 1 40 . 1 1 6 6 PHE HA H 1 4.695 0.050 . 1 . . . . 6 Phe HA . 17534 1 41 . 1 1 6 6 PHE HB2 H 1 3.167 0.050 . 2 . . . . 6 Phe HB2 . 17534 1 42 . 1 1 6 6 PHE HB3 H 1 2.997 0.050 . 2 . . . . 6 Phe HB3 . 17534 1 43 . 1 1 6 6 PHE HD1 H 1 7.254 0.050 . 3 . . . . 6 Phe HD1 . 17534 1 44 . 1 1 6 6 PHE HD2 H 1 7.254 0.050 . 3 . . . . 6 Phe HD2 . 17534 1 45 . 1 1 6 6 PHE C C 13 175.751 0.200 . 1 . . . . 6 Phe C . 17534 1 46 . 1 1 6 6 PHE CA C 13 57.862 0.200 . 1 . . . . 6 Phe CA . 17534 1 47 . 1 1 6 6 PHE CB C 13 39.701 0.200 . 1 . . . . 6 Phe CB . 17534 1 48 . 1 1 6 6 PHE CD1 C 13 132.057 0.200 . 3 . . . . 6 Phe CD1 . 17534 1 49 . 1 1 6 6 PHE CD2 C 13 132.057 0.200 . 3 . . . . 6 Phe CD2 . 17534 1 50 . 1 1 6 6 PHE N N 15 122.458 0.300 . 1 . . . . 6 Phe N . 17534 1 51 . 1 1 7 7 THR H H 1 8.154 0.050 . 1 . . . . 7 Thr H . 17534 1 52 . 1 1 7 7 THR HA H 1 4.330 0.050 . 1 . . . . 7 Thr HA . 17534 1 53 . 1 1 7 7 THR HB H 1 4.194 0.050 . 1 . . . . 7 Thr HB . 17534 1 54 . 1 1 7 7 THR HG21 H 1 1.158 0.050 . 1 . . . . 7 Thr HG21 . 17534 1 55 . 1 1 7 7 THR HG22 H 1 1.158 0.050 . 1 . . . . 7 Thr HG22 . 17534 1 56 . 1 1 7 7 THR HG23 H 1 1.158 0.050 . 1 . . . . 7 Thr HG23 . 17534 1 57 . 1 1 7 7 THR C C 13 173.946 0.200 . 1 . . . . 7 Thr C . 17534 1 58 . 1 1 7 7 THR CA C 13 61.614 0.200 . 1 . . . . 7 Thr CA . 17534 1 59 . 1 1 7 7 THR CB C 13 69.871 0.200 . 1 . . . . 7 Thr CB . 17534 1 60 . 1 1 7 7 THR CG2 C 13 21.586 0.200 . 1 . . . . 7 Thr CG2 . 17534 1 61 . 1 1 7 7 THR N N 15 115.320 0.300 . 1 . . . . 7 Thr N . 17534 1 62 . 1 1 8 8 ASP H H 1 8.324 0.050 . 1 . . . . 8 Asp H . 17534 1 63 . 1 1 8 8 ASP HA H 1 4.578 0.050 . 1 . . . . 8 Asp HA . 17534 1 64 . 1 1 8 8 ASP HB2 H 1 2.730 0.050 . 2 . . . . 8 Asp HB2 . 17534 1 65 . 1 1 8 8 ASP HB3 H 1 2.618 0.050 . 2 . . . . 8 Asp HB3 . 17534 1 66 . 1 1 8 8 ASP C C 13 175.922 0.200 . 1 . . . . 8 Asp C . 17534 1 67 . 1 1 8 8 ASP CA C 13 54.457 0.200 . 1 . . . . 8 Asp CA . 17534 1 68 . 1 1 8 8 ASP CB C 13 41.155 0.200 . 1 . . . . 8 Asp CB . 17534 1 69 . 1 1 8 8 ASP N N 15 122.453 0.300 . 1 . . . . 8 Asp N . 17534 1 70 . 1 1 9 9 ASP H H 1 8.296 0.050 . 1 . . . . 9 Asp H . 17534 1 71 . 1 1 9 9 ASP HA H 1 4.555 0.050 . 1 . . . . 9 Asp HA . 17534 1 72 . 1 1 9 9 ASP HB2 H 1 2.726 0.050 . 2 . . . . 9 Asp HB2 . 17534 1 73 . 1 1 9 9 ASP HB3 H 1 2.612 0.050 . 2 . . . . 9 Asp HB3 . 17534 1 74 . 1 1 9 9 ASP C C 13 176.053 0.200 . 1 . . . . 9 Asp C . 17534 1 75 . 1 1 9 9 ASP CA C 13 54.648 0.200 . 1 . . . . 9 Asp CA . 17534 1 76 . 1 1 9 9 ASP CB C 13 41.230 0.200 . 1 . . . . 9 Asp CB . 17534 1 77 . 1 1 9 9 ASP N N 15 120.750 0.300 . 1 . . . . 9 Asp N . 17534 1 78 . 1 1 10 10 ASN H H 1 8.402 0.050 . 1 . . . . 10 Asn H . 17534 1 79 . 1 1 10 10 ASN HA H 1 4.665 0.050 . 1 . . . . 10 Asn HA . 17534 1 80 . 1 1 10 10 ASN HB2 H 1 2.820 0.050 . 2 . . . . 10 Asn HB2 . 17534 1 81 . 1 1 10 10 ASN HB3 H 1 2.735 0.050 . 2 . . . . 10 Asn HB3 . 17534 1 82 . 1 1 10 10 ASN HD21 H 1 6.947 0.050 . 1 . . . . 10 Asn HD21 . 17534 1 83 . 1 1 10 10 ASN HD22 H 1 7.655 0.050 . 1 . . . . 10 Asn HD22 . 17534 1 84 . 1 1 10 10 ASN C C 13 175.451 0.200 . 1 . . . . 10 Asn C . 17534 1 85 . 1 1 10 10 ASN CA C 13 53.528 0.200 . 1 . . . . 10 Asn CA . 17534 1 86 . 1 1 10 10 ASN CB C 13 39.219 0.200 . 1 . . . . 10 Asn CB . 17534 1 87 . 1 1 10 10 ASN N N 15 118.729 0.300 . 1 . . . . 10 Asn N . 17534 1 88 . 1 1 10 10 ASN ND2 N 15 113.789 0.300 . 1 . . . . 10 Asn ND2 . 17534 1 89 . 1 1 11 11 GLU H H 1 8.378 0.050 . 1 . . . . 11 Glu H . 17534 1 90 . 1 1 11 11 GLU HA H 1 4.217 0.050 . 1 . . . . 11 Glu HA . 17534 1 91 . 1 1 11 11 GLU HB2 H 1 2.047 0.050 . 2 . . . . 11 Glu HB2 . 17534 1 92 . 1 1 11 11 GLU HB3 H 1 1.938 0.050 . 2 . . . . 11 Glu HB3 . 17534 1 93 . 1 1 11 11 GLU HG2 H 1 2.192 0.050 . 1 . . . . 11 Glu HG2 . 17534 1 94 . 1 1 11 11 GLU HG3 H 1 2.192 0.050 . 1 . . . . 11 Glu HG3 . 17534 1 95 . 1 1 11 11 GLU C C 13 176.267 0.200 . 1 . . . . 11 Glu C . 17534 1 96 . 1 1 11 11 GLU CA C 13 57.053 0.200 . 1 . . . . 11 Glu CA . 17534 1 97 . 1 1 11 11 GLU CB C 13 30.057 0.200 . 1 . . . . 11 Glu CB . 17534 1 98 . 1 1 11 11 GLU CG C 13 36.272 0.200 . 1 . . . . 11 Glu CG . 17534 1 99 . 1 1 11 11 GLU N N 15 121.015 0.300 . 1 . . . . 11 Glu N . 17534 1 100 . 1 1 12 12 ASN H H 1 8.397 0.050 . 1 . . . . 12 Asn H . 17534 1 101 . 1 1 12 12 ASN HA H 1 4.736 0.050 . 1 . . . . 12 Asn HA . 17534 1 102 . 1 1 12 12 ASN HB2 H 1 2.816 0.050 . 2 . . . . 12 Asn HB2 . 17534 1 103 . 1 1 12 12 ASN HB3 H 1 2.690 0.050 . 2 . . . . 12 Asn HB3 . 17534 1 104 . 1 1 12 12 ASN HD21 H 1 6.901 0.050 . 1 . . . . 12 Asn HD21 . 17534 1 105 . 1 1 12 12 ASN HD22 H 1 7.658 0.050 . 1 . . . . 12 Asn HD22 . 17534 1 106 . 1 1 12 12 ASN C C 13 174.764 0.200 . 1 . . . . 12 Asn C . 17534 1 107 . 1 1 12 12 ASN CA C 13 53.226 0.200 . 1 . . . . 12 Asn CA . 17534 1 108 . 1 1 12 12 ASN CB C 13 39.309 0.200 . 1 . . . . 12 Asn CB . 17534 1 109 . 1 1 12 12 ASN N N 15 118.846 0.300 . 1 . . . . 12 Asn N . 17534 1 110 . 1 1 12 12 ASN ND2 N 15 113.411 0.300 . 1 . . . . 12 Asn ND2 . 17534 1 111 . 1 1 13 13 ASP H H 1 8.261 0.050 . 1 . . . . 13 Asp H . 17534 1 112 . 1 1 13 13 ASP HA H 1 4.684 0.050 . 1 . . . . 13 Asp HA . 17534 1 113 . 1 1 13 13 ASP HB2 H 1 2.728 0.050 . 2 . . . . 13 Asp HB2 . 17534 1 114 . 1 1 13 13 ASP HB3 H 1 2.613 0.050 . 2 . . . . 13 Asp HB3 . 17534 1 115 . 1 1 13 13 ASP C C 13 176.310 0.200 . 1 . . . . 13 Asp C . 17534 1 116 . 1 1 13 13 ASP CA C 13 54.277 0.200 . 1 . . . . 13 Asp CA . 17534 1 117 . 1 1 13 13 ASP CB C 13 41.323 0.200 . 1 . . . . 13 Asp CB . 17534 1 118 . 1 1 13 13 ASP N N 15 121.304 0.300 . 1 . . . . 13 Asp N . 17534 1 119 . 1 1 14 14 THR H H 1 8.171 0.050 . 1 . . . . 14 Thr H . 17534 1 120 . 1 1 14 14 THR HA H 1 4.418 0.050 . 1 . . . . 14 Thr HA . 17534 1 121 . 1 1 14 14 THR HB H 1 4.197 0.050 . 1 . . . . 14 Thr HB . 17534 1 122 . 1 1 14 14 THR HG21 H 1 1.099 0.050 . 1 . . . . 14 Thr HG21 . 17534 1 123 . 1 1 14 14 THR HG22 H 1 1.099 0.050 . 1 . . . . 14 Thr HG22 . 17534 1 124 . 1 1 14 14 THR HG23 H 1 1.099 0.050 . 1 . . . . 14 Thr HG23 . 17534 1 125 . 1 1 14 14 THR C C 13 174.332 0.200 . 1 . . . . 14 Thr C . 17534 1 126 . 1 1 14 14 THR CA C 13 61.299 0.200 . 1 . . . . 14 Thr CA . 17534 1 127 . 1 1 14 14 THR CB C 13 69.706 0.200 . 1 . . . . 14 Thr CB . 17534 1 128 . 1 1 14 14 THR CG2 C 13 21.026 0.200 . 1 . . . . 14 Thr CG2 . 17534 1 129 . 1 1 14 14 THR N N 15 114.723 0.300 . 1 . . . . 14 Thr N . 17534 1 130 . 1 1 15 15 SER H H 1 8.352 0.050 . 1 . . . . 15 Ser H . 17534 1 131 . 1 1 15 15 SER HA H 1 4.484 0.050 . 1 . . . . 15 Ser HA . 17534 1 132 . 1 1 15 15 SER HB2 H 1 3.847 0.050 . 1 . . . . 15 Ser HB2 . 17534 1 133 . 1 1 15 15 SER HB3 H 1 3.847 0.050 . 1 . . . . 15 Ser HB3 . 17534 1 134 . 1 1 15 15 SER C C 13 174.420 0.200 . 1 . . . . 15 Ser C . 17534 1 135 . 1 1 15 15 SER CA C 13 58.324 0.200 . 1 . . . . 15 Ser CA . 17534 1 136 . 1 1 15 15 SER CB C 13 64.010 0.200 . 1 . . . . 15 Ser CB . 17534 1 137 . 1 1 15 15 SER N N 15 119.759 0.300 . 1 . . . . 15 Ser N . 17534 1 138 . 1 1 16 16 GLU H H 1 8.385 0.050 . 1 . . . . 16 Glu H . 17534 1 139 . 1 1 16 16 GLU HA H 1 4.452 0.050 . 1 . . . . 16 Glu HA . 17534 1 140 . 1 1 16 16 GLU HB2 H 1 1.892 0.050 . 2 . . . . 16 Glu HB2 . 17534 1 141 . 1 1 16 16 GLU HB3 H 1 1.563 0.050 . 2 . . . . 16 Glu HB3 . 17534 1 142 . 1 1 16 16 GLU HG2 H 1 2.197 0.050 . 1 . . . . 16 Glu HG2 . 17534 1 143 . 1 1 16 16 GLU HG3 H 1 2.197 0.050 . 1 . . . . 16 Glu HG3 . 17534 1 144 . 1 1 16 16 GLU C C 13 175.408 0.200 . 1 . . . . 16 Glu C . 17534 1 145 . 1 1 16 16 GLU CA C 13 55.777 0.200 . 1 . . . . 16 Glu CA . 17534 1 146 . 1 1 16 16 GLU CB C 13 30.581 0.200 . 1 . . . . 16 Glu CB . 17534 1 147 . 1 1 16 16 GLU CG C 13 34.870 0.200 . 1 . . . . 16 Glu CG . 17534 1 148 . 1 1 16 16 GLU N N 15 122.850 0.300 . 1 . . . . 16 Glu N . 17534 1 149 . 1 1 17 17 THR H H 1 8.710 0.050 . 1 . . . . 17 Thr H . 17534 1 150 . 1 1 17 17 THR HA H 1 4.532 0.050 . 1 . . . . 17 Thr HA . 17534 1 151 . 1 1 17 17 THR HB H 1 4.637 0.050 . 1 . . . . 17 Thr HB . 17534 1 152 . 1 1 17 17 THR HG21 H 1 1.221 0.050 . 1 . . . . 17 Thr HG21 . 17534 1 153 . 1 1 17 17 THR HG22 H 1 1.221 0.050 . 1 . . . . 17 Thr HG22 . 17534 1 154 . 1 1 17 17 THR HG23 H 1 1.221 0.050 . 1 . . . . 17 Thr HG23 . 17534 1 155 . 1 1 17 17 THR C C 13 174.626 0.200 . 1 . . . . 17 Thr C . 17534 1 156 . 1 1 17 17 THR CA C 13 59.222 0.200 . 1 . . . . 17 Thr CA . 17534 1 157 . 1 1 17 17 THR CB C 13 72.785 0.200 . 1 . . . . 17 Thr CB . 17534 1 158 . 1 1 17 17 THR CG2 C 13 21.967 0.200 . 1 . . . . 17 Thr CG2 . 17534 1 159 . 1 1 17 17 THR N N 15 111.537 0.300 . 1 . . . . 17 Thr N . 17534 1 160 . 1 1 18 18 MET H H 1 8.976 0.050 . 1 . . . . 18 Met H . 17534 1 161 . 1 1 18 18 MET HA H 1 4.284 0.050 . 1 . . . . 18 Met HA . 17534 1 162 . 1 1 18 18 MET HB2 H 1 2.009 0.050 . 2 . . . . 18 Met HB2 . 17534 1 163 . 1 1 18 18 MET HB3 H 1 1.664 0.050 . 2 . . . . 18 Met HB3 . 17534 1 164 . 1 1 18 18 MET HG2 H 1 2.576 0.050 . 2 . . . . 18 Met HG2 . 17534 1 165 . 1 1 18 18 MET HG3 H 1 2.353 0.050 . 2 . . . . 18 Met HG3 . 17534 1 166 . 1 1 18 18 MET C C 13 177.814 0.200 . 1 . . . . 18 Met C . 17534 1 167 . 1 1 18 18 MET CA C 13 56.487 0.200 . 1 . . . . 18 Met CA . 17534 1 168 . 1 1 18 18 MET CB C 13 29.653 0.200 . 1 . . . . 18 Met CB . 17534 1 169 . 1 1 18 18 MET CG C 13 31.129 0.200 . 1 . . . . 18 Met CG . 17534 1 170 . 1 1 18 18 MET N N 15 118.640 0.300 . 1 . . . . 18 Met N . 17534 1 171 . 1 1 19 19 GLU H H 1 8.876 0.050 . 1 . . . . 19 Glu H . 17534 1 172 . 1 1 19 19 GLU HA H 1 3.157 0.050 . 1 . . . . 19 Glu HA . 17534 1 173 . 1 1 19 19 GLU HB2 H 1 2.015 0.050 . 2 . . . . 19 Glu HB2 . 17534 1 174 . 1 1 19 19 GLU HB3 H 1 1.782 0.050 . 2 . . . . 19 Glu HB3 . 17534 1 175 . 1 1 19 19 GLU HG2 H 1 2.389 0.050 . 2 . . . . 19 Glu HG2 . 17534 1 176 . 1 1 19 19 GLU HG3 H 1 2.176 0.050 . 2 . . . . 19 Glu HG3 . 17534 1 177 . 1 1 19 19 GLU C C 13 177.256 0.200 . 1 . . . . 19 Glu C . 17534 1 178 . 1 1 19 19 GLU CA C 13 61.266 0.200 . 1 . . . . 19 Glu CA . 17534 1 179 . 1 1 19 19 GLU CB C 13 29.520 0.200 . 1 . . . . 19 Glu CB . 17534 1 180 . 1 1 19 19 GLU CG C 13 37.945 0.200 . 1 . . . . 19 Glu CG . 17534 1 181 . 1 1 19 19 GLU N N 15 116.332 0.300 . 1 . . . . 19 Glu N . 17534 1 182 . 1 1 20 20 SER H H 1 7.835 0.050 . 1 . . . . 20 Ser H . 17534 1 183 . 1 1 20 20 SER HA H 1 4.131 0.050 . 1 . . . . 20 Ser HA . 17534 1 184 . 1 1 20 20 SER HB2 H 1 3.993 0.050 . 2 . . . . 20 Ser HB2 . 17534 1 185 . 1 1 20 20 SER HB3 H 1 3.871 0.050 . 2 . . . . 20 Ser HB3 . 17534 1 186 . 1 1 20 20 SER C C 13 177.832 0.200 . 1 . . . . 20 Ser C . 17534 1 187 . 1 1 20 20 SER CA C 13 61.593 0.200 . 1 . . . . 20 Ser CA . 17534 1 188 . 1 1 20 20 SER CB C 13 62.703 0.200 . 1 . . . . 20 Ser CB . 17534 1 189 . 1 1 20 20 SER N N 15 114.730 0.300 . 1 . . . . 20 Ser N . 17534 1 190 . 1 1 21 21 LEU H H 1 8.089 0.050 . 1 . . . . 21 Leu H . 17534 1 191 . 1 1 21 21 LEU HA H 1 3.826 0.050 . 1 . . . . 21 Leu HA . 17534 1 192 . 1 1 21 21 LEU HB2 H 1 1.905 0.050 . 2 . . . . 21 Leu HB2 . 17534 1 193 . 1 1 21 21 LEU HB3 H 1 1.349 0.050 . 2 . . . . 21 Leu HB3 . 17534 1 194 . 1 1 21 21 LEU HG H 1 1.782 0.050 . 1 . . . . 21 Leu HG . 17534 1 195 . 1 1 21 21 LEU HD11 H 1 0.625 0.050 . 1 . . . . 21 Leu HD11 . 17534 1 196 . 1 1 21 21 LEU HD12 H 1 0.625 0.050 . 1 . . . . 21 Leu HD12 . 17534 1 197 . 1 1 21 21 LEU HD13 H 1 0.625 0.050 . 1 . . . . 21 Leu HD13 . 17534 1 198 . 1 1 21 21 LEU HD21 H 1 0.680 0.050 . 1 . . . . 21 Leu HD21 . 17534 1 199 . 1 1 21 21 LEU HD22 H 1 0.680 0.050 . 1 . . . . 21 Leu HD22 . 17534 1 200 . 1 1 21 21 LEU HD23 H 1 0.680 0.050 . 1 . . . . 21 Leu HD23 . 17534 1 201 . 1 1 21 21 LEU C C 13 179.661 0.200 . 1 . . . . 21 Leu C . 17534 1 202 . 1 1 21 21 LEU CA C 13 58.308 0.200 . 1 . . . . 21 Leu CA . 17534 1 203 . 1 1 21 21 LEU CB C 13 41.234 0.200 . 1 . . . . 21 Leu CB . 17534 1 204 . 1 1 21 21 LEU CG C 13 26.193 0.200 . 1 . . . . 21 Leu CG . 17534 1 205 . 1 1 21 21 LEU CD1 C 13 26.012 0.200 . 1 . . . . 21 Leu CD1 . 17534 1 206 . 1 1 21 21 LEU CD2 C 13 22.761 0.200 . 1 . . . . 21 Leu CD2 . 17534 1 207 . 1 1 21 21 LEU N N 15 124.029 0.300 . 1 . . . . 21 Leu N . 17534 1 208 . 1 1 22 22 ILE H H 1 7.987 0.050 . 1 . . . . 22 Ile H . 17534 1 209 . 1 1 22 22 ILE HA H 1 3.352 0.050 . 1 . . . . 22 Ile HA . 17534 1 210 . 1 1 22 22 ILE HB H 1 1.483 0.050 . 1 . . . . 22 Ile HB . 17534 1 211 . 1 1 22 22 ILE HG12 H 1 1.290 0.050 . 2 . . . . 22 Ile HG12 . 17534 1 212 . 1 1 22 22 ILE HG13 H 1 0.815 0.050 . 2 . . . . 22 Ile HG13 . 17534 1 213 . 1 1 22 22 ILE HG21 H 1 0.664 0.050 . 1 . . . . 22 Ile HG21 . 17534 1 214 . 1 1 22 22 ILE HG22 H 1 0.664 0.050 . 1 . . . . 22 Ile HG22 . 17534 1 215 . 1 1 22 22 ILE HG23 H 1 0.664 0.050 . 1 . . . . 22 Ile HG23 . 17534 1 216 . 1 1 22 22 ILE HD11 H 1 0.220 0.050 . 1 . . . . 22 Ile HD11 . 17534 1 217 . 1 1 22 22 ILE HD12 H 1 0.220 0.050 . 1 . . . . 22 Ile HD12 . 17534 1 218 . 1 1 22 22 ILE HD13 H 1 0.220 0.050 . 1 . . . . 22 Ile HD13 . 17534 1 219 . 1 1 22 22 ILE C C 13 180.736 0.200 . 1 . . . . 22 Ile C . 17534 1 220 . 1 1 22 22 ILE CA C 13 64.923 0.200 . 1 . . . . 22 Ile CA . 17534 1 221 . 1 1 22 22 ILE CB C 13 37.189 0.200 . 1 . . . . 22 Ile CB . 17534 1 222 . 1 1 22 22 ILE CG1 C 13 28.747 0.200 . 1 . . . . 22 Ile CG1 . 17534 1 223 . 1 1 22 22 ILE CG2 C 13 17.574 0.200 . 1 . . . . 22 Ile CG2 . 17534 1 224 . 1 1 22 22 ILE CD1 C 13 13.538 0.200 . 1 . . . . 22 Ile CD1 . 17534 1 225 . 1 1 22 22 ILE N N 15 120.311 0.300 . 1 . . . . 22 Ile N . 17534 1 226 . 1 1 23 23 ASP H H 1 8.599 0.050 . 1 . . . . 23 Asp H . 17534 1 227 . 1 1 23 23 ASP HA H 1 4.416 0.050 . 1 . . . . 23 Asp HA . 17534 1 228 . 1 1 23 23 ASP HB2 H 1 2.816 0.050 . 2 . . . . 23 Asp HB2 . 17534 1 229 . 1 1 23 23 ASP HB3 H 1 2.685 0.050 . 2 . . . . 23 Asp HB3 . 17534 1 230 . 1 1 23 23 ASP C C 13 178.544 0.200 . 1 . . . . 23 Asp C . 17534 1 231 . 1 1 23 23 ASP CA C 13 57.383 0.200 . 1 . . . . 23 Asp CA . 17534 1 232 . 1 1 23 23 ASP CB C 13 39.401 0.200 . 1 . . . . 23 Asp CB . 17534 1 233 . 1 1 23 23 ASP N N 15 123.007 0.300 . 1 . . . . 23 Asp N . 17534 1 234 . 1 1 24 24 LYS H H 1 7.696 0.050 . 1 . . . . 24 Lys H . 17534 1 235 . 1 1 24 24 LYS HA H 1 4.333 0.050 . 1 . . . . 24 Lys HA . 17534 1 236 . 1 1 24 24 LYS HB2 H 1 1.983 0.050 . 2 . . . . 24 Lys HB2 . 17534 1 237 . 1 1 24 24 LYS HB3 H 1 1.755 0.050 . 2 . . . . 24 Lys HB3 . 17534 1 238 . 1 1 24 24 LYS HG2 H 1 1.462 0.050 . 1 . . . . 24 Lys HG2 . 17534 1 239 . 1 1 24 24 LYS HG3 H 1 1.462 0.050 . 1 . . . . 24 Lys HG3 . 17534 1 240 . 1 1 24 24 LYS HD2 H 1 1.696 0.050 . 2 . . . . 24 Lys HD2 . 17534 1 241 . 1 1 24 24 LYS HD3 H 1 1.661 0.050 . 2 . . . . 24 Lys HD3 . 17534 1 242 . 1 1 24 24 LYS HE2 H 1 2.908 0.050 . 1 . . . . 24 Lys HE2 . 17534 1 243 . 1 1 24 24 LYS HE3 H 1 2.908 0.050 . 1 . . . . 24 Lys HE3 . 17534 1 244 . 1 1 24 24 LYS C C 13 176.610 0.200 . 1 . . . . 24 Lys C . 17534 1 245 . 1 1 24 24 LYS CA C 13 56.596 0.200 . 1 . . . . 24 Lys CA . 17534 1 246 . 1 1 24 24 LYS CB C 13 33.552 0.200 . 1 . . . . 24 Lys CB . 17534 1 247 . 1 1 24 24 LYS CG C 13 25.978 0.200 . 1 . . . . 24 Lys CG . 17534 1 248 . 1 1 24 24 LYS CD C 13 29.518 0.200 . 1 . . . . 24 Lys CD . 17534 1 249 . 1 1 24 24 LYS CE C 13 41.977 0.200 . 1 . . . . 24 Lys CE . 17534 1 250 . 1 1 24 24 LYS N N 15 117.684 0.300 . 1 . . . . 24 Lys N . 17534 1 251 . 1 1 25 25 GLY H H 1 8.178 0.050 . 1 . . . . 25 Gly H . 17534 1 252 . 1 1 25 25 GLY HA2 H 1 3.724 0.050 . 2 . . . . 25 Gly HA2 . 17534 1 253 . 1 1 25 25 GLY HA3 H 1 4.137 0.050 . 2 . . . . 25 Gly HA3 . 17534 1 254 . 1 1 25 25 GLY C C 13 175.278 0.200 . 1 . . . . 25 Gly C . 17534 1 255 . 1 1 25 25 GLY CA C 13 45.898 0.200 . 1 . . . . 25 Gly CA . 17534 1 256 . 1 1 25 25 GLY N N 15 109.511 0.300 . 1 . . . . 25 Gly N . 17534 1 257 . 1 1 26 26 LYS H H 1 8.360 0.050 . 1 . . . . 26 Lys H . 17534 1 258 . 1 1 26 26 LYS HA H 1 4.571 0.050 . 1 . . . . 26 Lys HA . 17534 1 259 . 1 1 26 26 LYS HB2 H 1 1.562 0.050 . 1 . . . . 26 Lys HB2 . 17534 1 260 . 1 1 26 26 LYS HB3 H 1 1.562 0.050 . 1 . . . . 26 Lys HB3 . 17534 1 261 . 1 1 26 26 LYS HG2 H 1 1.247 0.050 . 1 . . . . 26 Lys HG2 . 17534 1 262 . 1 1 26 26 LYS HG3 H 1 1.247 0.050 . 1 . . . . 26 Lys HG3 . 17534 1 263 . 1 1 26 26 LYS HD2 H 1 1.569 0.050 . 1 . . . . 26 Lys HD2 . 17534 1 264 . 1 1 26 26 LYS HD3 H 1 1.569 0.050 . 1 . . . . 26 Lys HD3 . 17534 1 265 . 1 1 26 26 LYS HE2 H 1 2.854 0.050 . 1 . . . . 26 Lys HE2 . 17534 1 266 . 1 1 26 26 LYS HE3 H 1 2.854 0.050 . 1 . . . . 26 Lys HE3 . 17534 1 267 . 1 1 26 26 LYS C C 13 175.365 0.200 . 1 . . . . 26 Lys C . 17534 1 268 . 1 1 26 26 LYS CA C 13 53.790 0.200 . 1 . . . . 26 Lys CA . 17534 1 269 . 1 1 26 26 LYS CB C 13 29.278 0.200 . 1 . . . . 26 Lys CB . 17534 1 270 . 1 1 26 26 LYS CG C 13 24.340 0.200 . 1 . . . . 26 Lys CG . 17534 1 271 . 1 1 26 26 LYS CD C 13 29.075 0.200 . 1 . . . . 26 Lys CD . 17534 1 272 . 1 1 26 26 LYS CE C 13 41.991 0.200 . 1 . . . . 26 Lys CE . 17534 1 273 . 1 1 26 26 LYS N N 15 124.022 0.300 . 1 . . . . 26 Lys N . 17534 1 274 . 1 1 27 27 LEU H H 1 7.384 0.050 . 1 . . . . 27 Leu H . 17534 1 275 . 1 1 27 27 LEU HA H 1 4.182 0.050 . 1 . . . . 27 Leu HA . 17534 1 276 . 1 1 27 27 LEU HB2 H 1 1.621 0.050 . 1 . . . . 27 Leu HB2 . 17534 1 277 . 1 1 27 27 LEU HB3 H 1 1.621 0.050 . 1 . . . . 27 Leu HB3 . 17534 1 278 . 1 1 27 27 LEU HG H 1 1.565 0.050 . 1 . . . . 27 Leu HG . 17534 1 279 . 1 1 27 27 LEU HD11 H 1 0.859 0.050 . 1 . . . . 27 Leu HD11 . 17534 1 280 . 1 1 27 27 LEU HD12 H 1 0.859 0.050 . 1 . . . . 27 Leu HD12 . 17534 1 281 . 1 1 27 27 LEU HD13 H 1 0.859 0.050 . 1 . . . . 27 Leu HD13 . 17534 1 282 . 1 1 27 27 LEU HD21 H 1 0.973 0.050 . 1 . . . . 27 Leu HD21 . 17534 1 283 . 1 1 27 27 LEU HD22 H 1 0.973 0.050 . 1 . . . . 27 Leu HD22 . 17534 1 284 . 1 1 27 27 LEU HD23 H 1 0.973 0.050 . 1 . . . . 27 Leu HD23 . 17534 1 285 . 1 1 27 27 LEU C C 13 177.685 0.200 . 1 . . . . 27 Leu C . 17534 1 286 . 1 1 27 27 LEU CA C 13 55.811 0.200 . 1 . . . . 27 Leu CA . 17534 1 287 . 1 1 27 27 LEU CB C 13 40.598 0.200 . 1 . . . . 27 Leu CB . 17534 1 288 . 1 1 27 27 LEU CG C 13 28.193 0.200 . 1 . . . . 27 Leu CG . 17534 1 289 . 1 1 27 27 LEU CD1 C 13 23.801 0.200 . 1 . . . . 27 Leu CD1 . 17534 1 290 . 1 1 27 27 LEU CD2 C 13 25.347 0.200 . 1 . . . . 27 Leu CD2 . 17534 1 291 . 1 1 27 27 LEU N N 15 117.052 0.300 . 1 . . . . 27 Leu N . 17534 1 292 . 1 1 28 28 ASP H H 1 8.636 0.050 . 1 . . . . 28 Asp H . 17534 1 293 . 1 1 28 28 ASP HA H 1 4.446 0.050 . 1 . . . . 28 Asp HA . 17534 1 294 . 1 1 28 28 ASP HB2 H 1 3.158 0.050 . 2 . . . . 28 Asp HB2 . 17534 1 295 . 1 1 28 28 ASP HB3 H 1 2.560 0.050 . 2 . . . . 28 Asp HB3 . 17534 1 296 . 1 1 28 28 ASP C C 13 174.118 0.200 . 1 . . . . 28 Asp C . 17534 1 297 . 1 1 28 28 ASP CA C 13 52.442 0.200 . 1 . . . . 28 Asp CA . 17534 1 298 . 1 1 28 28 ASP CB C 13 39.597 0.200 . 1 . . . . 28 Asp CB . 17534 1 299 . 1 1 28 28 ASP N N 15 117.807 0.300 . 1 . . . . 28 Asp N . 17534 1 300 . 1 1 29 29 GLN H H 1 7.493 0.050 . 1 . . . . 29 Gln H . 17534 1 301 . 1 1 29 29 GLN HA H 1 5.401 0.050 . 1 . . . . 29 Gln HA . 17534 1 302 . 1 1 29 29 GLN HB2 H 1 1.804 0.050 . 1 . . . . 29 Gln HB2 . 17534 1 303 . 1 1 29 29 GLN HB3 H 1 1.804 0.050 . 1 . . . . 29 Gln HB3 . 17534 1 304 . 1 1 29 29 GLN HG2 H 1 1.873 0.050 . 2 . . . . 29 Gln HG2 . 17534 1 305 . 1 1 29 29 GLN HG3 H 1 1.994 0.050 . 2 . . . . 29 Gln HG3 . 17534 1 306 . 1 1 29 29 GLN HE21 H 1 6.200 0.050 . 1 . . . . 29 Gln HE21 . 17534 1 307 . 1 1 29 29 GLN HE22 H 1 6.990 0.050 . 1 . . . . 29 Gln HE22 . 17534 1 308 . 1 1 29 29 GLN C C 13 174.161 0.200 . 1 . . . . 29 Gln C . 17534 1 309 . 1 1 29 29 GLN CA C 13 54.290 0.200 . 1 . . . . 29 Gln CA . 17534 1 310 . 1 1 29 29 GLN CB C 13 32.803 0.200 . 1 . . . . 29 Gln CB . 17534 1 311 . 1 1 29 29 GLN CG C 13 33.950 0.200 . 1 . . . . 29 Gln CG . 17534 1 312 . 1 1 29 29 GLN N N 15 119.366 0.300 . 1 . . . . 29 Gln N . 17534 1 313 . 1 1 29 29 GLN NE2 N 15 106.404 0.300 . 1 . . . . 29 Gln NE2 . 17534 1 314 . 1 1 30 30 VAL H H 1 8.394 0.050 . 1 . . . . 30 Val H . 17534 1 315 . 1 1 30 30 VAL HA H 1 4.267 0.050 . 1 . . . . 30 Val HA . 17534 1 316 . 1 1 30 30 VAL HB H 1 1.887 0.050 . 1 . . . . 30 Val HB . 17534 1 317 . 1 1 30 30 VAL HG11 H 1 0.537 0.050 . 1 . . . . 30 Val HG11 . 17534 1 318 . 1 1 30 30 VAL HG12 H 1 0.537 0.050 . 1 . . . . 30 Val HG12 . 17534 1 319 . 1 1 30 30 VAL HG13 H 1 0.537 0.050 . 1 . . . . 30 Val HG13 . 17534 1 320 . 1 1 30 30 VAL HG21 H 1 0.677 0.050 . 1 . . . . 30 Val HG21 . 17534 1 321 . 1 1 30 30 VAL HG22 H 1 0.677 0.050 . 1 . . . . 30 Val HG22 . 17534 1 322 . 1 1 30 30 VAL HG23 H 1 0.677 0.050 . 1 . . . . 30 Val HG23 . 17534 1 323 . 1 1 30 30 VAL C C 13 173.215 0.200 . 1 . . . . 30 Val C . 17534 1 324 . 1 1 30 30 VAL CA C 13 59.037 0.200 . 1 . . . . 30 Val CA . 17534 1 325 . 1 1 30 30 VAL CB C 13 36.288 0.200 . 1 . . . . 30 Val CB . 17534 1 326 . 1 1 30 30 VAL CG1 C 13 19.200 0.200 . 1 . . . . 30 Val CG1 . 17534 1 327 . 1 1 30 30 VAL CG2 C 13 22.782 0.200 . 1 . . . . 30 Val CG2 . 17534 1 328 . 1 1 30 30 VAL N N 15 108.580 0.300 . 1 . . . . 30 Val N . 17534 1 329 . 1 1 31 31 VAL H H 1 6.807 0.050 . 1 . . . . 31 Val H . 17534 1 330 . 1 1 31 31 VAL HA H 1 5.137 0.050 . 1 . . . . 31 Val HA . 17534 1 331 . 1 1 31 31 VAL HB H 1 1.585 0.050 . 1 . . . . 31 Val HB . 17534 1 332 . 1 1 31 31 VAL HG11 H 1 0.647 0.050 . 1 . . . . 31 Val HG11 . 17534 1 333 . 1 1 31 31 VAL HG12 H 1 0.647 0.050 . 1 . . . . 31 Val HG12 . 17534 1 334 . 1 1 31 31 VAL HG13 H 1 0.647 0.050 . 1 . . . . 31 Val HG13 . 17534 1 335 . 1 1 31 31 VAL HG21 H 1 0.751 0.050 . 1 . . . . 31 Val HG21 . 17534 1 336 . 1 1 31 31 VAL HG22 H 1 0.751 0.050 . 1 . . . . 31 Val HG22 . 17534 1 337 . 1 1 31 31 VAL HG23 H 1 0.751 0.050 . 1 . . . . 31 Val HG23 . 17534 1 338 . 1 1 31 31 VAL C C 13 174.719 0.200 . 1 . . . . 31 Val C . 17534 1 339 . 1 1 31 31 VAL CA C 13 59.930 0.200 . 1 . . . . 31 Val CA . 17534 1 340 . 1 1 31 31 VAL CB C 13 33.833 0.200 . 1 . . . . 31 Val CB . 17534 1 341 . 1 1 31 31 VAL CG1 C 13 21.026 0.200 . 1 . . . . 31 Val CG1 . 17534 1 342 . 1 1 31 31 VAL CG2 C 13 20.485 0.200 . 1 . . . . 31 Val CG2 . 17534 1 343 . 1 1 31 31 VAL N N 15 120.659 0.300 . 1 . . . . 31 Val N . 17534 1 344 . 1 1 32 32 TYR H H 1 9.063 0.050 . 1 . . . . 32 Tyr H . 17534 1 345 . 1 1 32 32 TYR HA H 1 4.624 0.050 . 1 . . . . 32 Tyr HA . 17534 1 346 . 1 1 32 32 TYR HB2 H 1 2.471 0.050 . 1 . . . . 32 Tyr HB2 . 17534 1 347 . 1 1 32 32 TYR HB3 H 1 2.471 0.050 . 1 . . . . 32 Tyr HB3 . 17534 1 348 . 1 1 32 32 TYR HD1 H 1 6.807 0.050 . 3 . . . . 32 Tyr HD1 . 17534 1 349 . 1 1 32 32 TYR HD2 H 1 6.807 0.050 . 3 . . . . 32 Tyr HD2 . 17534 1 350 . 1 1 32 32 TYR HE1 H 1 6.592 0.050 . 3 . . . . 32 Tyr HE1 . 17534 1 351 . 1 1 32 32 TYR HE2 H 1 6.592 0.050 . 3 . . . . 32 Tyr HE2 . 17534 1 352 . 1 1 32 32 TYR C C 13 174.807 0.200 . 1 . . . . 32 Tyr C . 17534 1 353 . 1 1 32 32 TYR CA C 13 57.582 0.200 . 1 . . . . 32 Tyr CA . 17534 1 354 . 1 1 32 32 TYR CB C 13 40.315 0.200 . 1 . . . . 32 Tyr CB . 17534 1 355 . 1 1 32 32 TYR CD1 C 13 132.953 0.200 . 3 . . . . 32 Tyr CD1 . 17534 1 356 . 1 1 32 32 TYR CD2 C 13 132.953 0.200 . 3 . . . . 32 Tyr CD2 . 17534 1 357 . 1 1 32 32 TYR CE1 C 13 118.325 0.200 . 3 . . . . 32 Tyr CE1 . 17534 1 358 . 1 1 32 32 TYR CE2 C 13 118.325 0.200 . 3 . . . . 32 Tyr CE2 . 17534 1 359 . 1 1 32 32 TYR N N 15 125.430 0.300 . 1 . . . . 32 Tyr N . 17534 1 360 . 1 1 33 33 ASP H H 1 8.620 0.050 . 1 . . . . 33 Asp H . 17534 1 361 . 1 1 33 33 ASP HA H 1 3.894 0.050 . 1 . . . . 33 Asp HA . 17534 1 362 . 1 1 33 33 ASP HB2 H 1 2.734 0.050 . 2 . . . . 33 Asp HB2 . 17534 1 363 . 1 1 33 33 ASP HB3 H 1 1.477 0.050 . 2 . . . . 33 Asp HB3 . 17534 1 364 . 1 1 33 33 ASP C C 13 174.676 0.200 . 1 . . . . 33 Asp C . 17534 1 365 . 1 1 33 33 ASP CA C 13 54.747 0.200 . 1 . . . . 33 Asp CA . 17534 1 366 . 1 1 33 33 ASP CB C 13 39.018 0.200 . 1 . . . . 33 Asp CB . 17534 1 367 . 1 1 33 33 ASP N N 15 132.180 0.300 . 1 . . . . 33 Asp N . 17534 1 368 . 1 1 34 34 ASP H H 1 8.376 0.050 . 1 . . . . 34 Asp H . 17534 1 369 . 1 1 34 34 ASP HA H 1 4.007 0.050 . 1 . . . . 34 Asp HA . 17534 1 370 . 1 1 34 34 ASP HB2 H 1 2.934 0.050 . 2 . . . . 34 Asp HB2 . 17534 1 371 . 1 1 34 34 ASP HB3 H 1 2.820 0.050 . 2 . . . . 34 Asp HB3 . 17534 1 372 . 1 1 34 34 ASP C C 13 174.290 0.200 . 1 . . . . 34 Asp C . 17534 1 373 . 1 1 34 34 ASP CA C 13 56.215 0.200 . 1 . . . . 34 Asp CA . 17534 1 374 . 1 1 34 34 ASP CB C 13 39.941 0.200 . 1 . . . . 34 Asp CB . 17534 1 375 . 1 1 34 34 ASP N N 15 108.307 0.300 . 1 . . . . 34 Asp N . 17534 1 376 . 1 1 35 35 GLN H H 1 7.807 0.050 . 1 . . . . 35 Gln H . 17534 1 377 . 1 1 35 35 GLN HA H 1 4.633 0.050 . 1 . . . . 35 Gln HA . 17534 1 378 . 1 1 35 35 GLN HB2 H 1 2.006 0.050 . 2 . . . . 35 Gln HB2 . 17534 1 379 . 1 1 35 35 GLN HB3 H 1 1.884 0.050 . 2 . . . . 35 Gln HB3 . 17534 1 380 . 1 1 35 35 GLN HG2 H 1 2.430 0.050 . 2 . . . . 35 Gln HG2 . 17534 1 381 . 1 1 35 35 GLN HG3 H 1 2.225 0.050 . 2 . . . . 35 Gln HG3 . 17534 1 382 . 1 1 35 35 GLN HE21 H 1 6.828 0.050 . 1 . . . . 35 Gln HE21 . 17534 1 383 . 1 1 35 35 GLN HE22 H 1 7.537 0.050 . 1 . . . . 35 Gln HE22 . 17534 1 384 . 1 1 35 35 GLN C C 13 173.130 0.200 . 1 . . . . 35 Gln C . 17534 1 385 . 1 1 35 35 GLN CA C 13 54.325 0.200 . 1 . . . . 35 Gln CA . 17534 1 386 . 1 1 35 35 GLN CB C 13 32.442 0.200 . 1 . . . . 35 Gln CB . 17534 1 387 . 1 1 35 35 GLN CG C 13 34.429 0.200 . 1 . . . . 35 Gln CG . 17534 1 388 . 1 1 35 35 GLN N N 15 117.416 0.300 . 1 . . . . 35 Gln N . 17534 1 389 . 1 1 35 35 GLN NE2 N 15 112.263 0.300 . 1 . . . . 35 Gln NE2 . 17534 1 390 . 1 1 36 36 LEU H H 1 8.277 0.050 . 1 . . . . 36 Leu H . 17534 1 391 . 1 1 36 36 LEU HA H 1 4.938 0.050 . 1 . . . . 36 Leu HA . 17534 1 392 . 1 1 36 36 LEU HB2 H 1 1.530 0.050 . 2 . . . . 36 Leu HB2 . 17534 1 393 . 1 1 36 36 LEU HB3 H 1 1.441 0.050 . 2 . . . . 36 Leu HB3 . 17534 1 394 . 1 1 36 36 LEU HG H 1 1.472 0.050 . 1 . . . . 36 Leu HG . 17534 1 395 . 1 1 36 36 LEU HD11 H 1 0.788 0.050 . 1 . . . . 36 Leu HD11 . 17534 1 396 . 1 1 36 36 LEU HD12 H 1 0.788 0.050 . 1 . . . . 36 Leu HD12 . 17534 1 397 . 1 1 36 36 LEU HD13 H 1 0.788 0.050 . 1 . . . . 36 Leu HD13 . 17534 1 398 . 1 1 36 36 LEU HD21 H 1 0.878 0.050 . 1 . . . . 36 Leu HD21 . 17534 1 399 . 1 1 36 36 LEU HD22 H 1 0.878 0.050 . 1 . . . . 36 Leu HD22 . 17534 1 400 . 1 1 36 36 LEU HD23 H 1 0.878 0.050 . 1 . . . . 36 Leu HD23 . 17534 1 401 . 1 1 36 36 LEU C C 13 175.667 0.200 . 1 . . . . 36 Leu C . 17534 1 402 . 1 1 36 36 LEU CA C 13 54.313 0.200 . 1 . . . . 36 Leu CA . 17534 1 403 . 1 1 36 36 LEU CB C 13 44.538 0.200 . 1 . . . . 36 Leu CB . 17534 1 404 . 1 1 36 36 LEU CG C 13 27.309 0.200 . 1 . . . . 36 Leu CG . 17534 1 405 . 1 1 36 36 LEU CD1 C 13 25.651 0.200 . 1 . . . . 36 Leu CD1 . 17534 1 406 . 1 1 36 36 LEU CD2 C 13 25.068 0.200 . 1 . . . . 36 Leu CD2 . 17534 1 407 . 1 1 36 36 LEU N N 15 122.240 0.300 . 1 . . . . 36 Leu N . 17534 1 408 . 1 1 37 37 TYR H H 1 9.173 0.050 . 1 . . . . 37 Tyr H . 17534 1 409 . 1 1 37 37 TYR HA H 1 5.098 0.050 . 1 . . . . 37 Tyr HA . 17534 1 410 . 1 1 37 37 TYR HB2 H 1 2.548 0.050 . 1 . . . . 37 Tyr HB2 . 17534 1 411 . 1 1 37 37 TYR HB3 H 1 2.548 0.050 . 1 . . . . 37 Tyr HB3 . 17534 1 412 . 1 1 37 37 TYR HD1 H 1 6.779 0.050 . 3 . . . . 37 Tyr HD1 . 17534 1 413 . 1 1 37 37 TYR HD2 H 1 6.779 0.050 . 3 . . . . 37 Tyr HD2 . 17534 1 414 . 1 1 37 37 TYR C C 13 174.805 0.200 . 1 . . . . 37 Tyr C . 17534 1 415 . 1 1 37 37 TYR CA C 13 56.643 0.200 . 1 . . . . 37 Tyr CA . 17534 1 416 . 1 1 37 37 TYR CB C 13 42.749 0.200 . 1 . . . . 37 Tyr CB . 17534 1 417 . 1 1 37 37 TYR N N 15 121.192 0.300 . 1 . . . . 37 Tyr N . 17534 1 418 . 1 1 38 38 HIS H H 1 9.437 0.050 . 1 . . . . 38 His H . 17534 1 419 . 1 1 38 38 HIS HA H 1 5.198 0.050 . 1 . . . . 38 His HA . 17534 1 420 . 1 1 38 38 HIS HB2 H 1 3.225 0.050 . 2 . . . . 38 His HB2 . 17534 1 421 . 1 1 38 38 HIS HB3 H 1 2.946 0.050 . 2 . . . . 38 His HB3 . 17534 1 422 . 1 1 38 38 HIS HD2 H 1 7.350 0.050 . 1 . . . . 38 His HD2 . 17534 1 423 . 1 1 38 38 HIS C C 13 175.450 0.200 . 1 . . . . 38 His C . 17534 1 424 . 1 1 38 38 HIS CA C 13 53.376 0.200 . 1 . . . . 38 His CA . 17534 1 425 . 1 1 38 38 HIS CB C 13 32.291 0.200 . 1 . . . . 38 His CB . 17534 1 426 . 1 1 38 38 HIS CD2 C 13 119.339 0.200 . 1 . . . . 38 His CD2 . 17534 1 427 . 1 1 38 38 HIS N N 15 119.805 0.300 . 1 . . . . 38 His N . 17534 1 428 . 1 1 39 39 LEU H H 1 9.030 0.050 . 1 . . . . 39 Leu H . 17534 1 429 . 1 1 39 39 LEU HA H 1 4.194 0.050 . 1 . . . . 39 Leu HA . 17534 1 430 . 1 1 39 39 LEU HB2 H 1 1.541 0.050 . 2 . . . . 39 Leu HB2 . 17534 1 431 . 1 1 39 39 LEU HB3 H 1 1.092 0.050 . 2 . . . . 39 Leu HB3 . 17534 1 432 . 1 1 39 39 LEU HG H 1 1.217 0.050 . 1 . . . . 39 Leu HG . 17534 1 433 . 1 1 39 39 LEU HD11 H 1 0.275 0.050 . 1 . . . . 39 Leu HD11 . 17534 1 434 . 1 1 39 39 LEU HD12 H 1 0.275 0.050 . 1 . . . . 39 Leu HD12 . 17534 1 435 . 1 1 39 39 LEU HD13 H 1 0.275 0.050 . 1 . . . . 39 Leu HD13 . 17534 1 436 . 1 1 39 39 LEU HD21 H 1 0.381 0.050 . 1 . . . . 39 Leu HD21 . 17534 1 437 . 1 1 39 39 LEU HD22 H 1 0.381 0.050 . 1 . . . . 39 Leu HD22 . 17534 1 438 . 1 1 39 39 LEU HD23 H 1 0.381 0.050 . 1 . . . . 39 Leu HD23 . 17534 1 439 . 1 1 39 39 LEU C C 13 175.750 0.200 . 1 . . . . 39 Leu C . 17534 1 440 . 1 1 39 39 LEU CA C 13 56.237 0.200 . 1 . . . . 39 Leu CA . 17534 1 441 . 1 1 39 39 LEU CB C 13 41.402 0.200 . 1 . . . . 39 Leu CB . 17534 1 442 . 1 1 39 39 LEU CG C 13 27.469 0.200 . 1 . . . . 39 Leu CG . 17534 1 443 . 1 1 39 39 LEU CD1 C 13 23.430 0.200 . 1 . . . . 39 Leu CD1 . 17534 1 444 . 1 1 39 39 LEU CD2 C 13 24.960 0.200 . 1 . . . . 39 Leu CD2 . 17534 1 445 . 1 1 39 39 LEU N N 15 127.165 0.300 . 1 . . . . 39 Leu N . 17534 1 446 . 1 1 40 40 LYS H H 1 9.247 0.050 . 1 . . . . 40 Lys H . 17534 1 447 . 1 1 40 40 LYS HA H 1 4.354 0.050 . 1 . . . . 40 Lys HA . 17534 1 448 . 1 1 40 40 LYS HB2 H 1 1.956 0.050 . 2 . . . . 40 Lys HB2 . 17534 1 449 . 1 1 40 40 LYS HB3 H 1 1.629 0.050 . 2 . . . . 40 Lys HB3 . 17534 1 450 . 1 1 40 40 LYS HG2 H 1 1.449 0.050 . 1 . . . . 40 Lys HG2 . 17534 1 451 . 1 1 40 40 LYS HG3 H 1 1.449 0.050 . 1 . . . . 40 Lys HG3 . 17534 1 452 . 1 1 40 40 LYS HD2 H 1 1.564 0.050 . 1 . . . . 40 Lys HD2 . 17534 1 453 . 1 1 40 40 LYS HD3 H 1 1.564 0.050 . 1 . . . . 40 Lys HD3 . 17534 1 454 . 1 1 40 40 LYS HE2 H 1 2.961 0.050 . 2 . . . . 40 Lys HE2 . 17534 1 455 . 1 1 40 40 LYS HE3 H 1 2.855 0.050 . 2 . . . . 40 Lys HE3 . 17534 1 456 . 1 1 40 40 LYS C C 13 175.493 0.200 . 1 . . . . 40 Lys C . 17534 1 457 . 1 1 40 40 LYS CA C 13 54.647 0.200 . 1 . . . . 40 Lys CA . 17534 1 458 . 1 1 40 40 LYS CB C 13 32.051 0.200 . 1 . . . . 40 Lys CB . 17534 1 459 . 1 1 40 40 LYS CG C 13 24.360 0.200 . 1 . . . . 40 Lys CG . 17534 1 460 . 1 1 40 40 LYS CD C 13 28.019 0.200 . 1 . . . . 40 Lys CD . 17534 1 461 . 1 1 40 40 LYS CE C 13 41.795 0.200 . 1 . . . . 40 Lys CE . 17534 1 462 . 1 1 40 40 LYS N N 15 125.938 0.300 . 1 . . . . 40 Lys N . 17534 1 463 . 1 1 41 41 GLU H H 1 8.503 0.050 . 1 . . . . 41 Glu H . 17534 1 464 . 1 1 41 41 GLU HA H 1 4.548 0.050 . 1 . . . . 41 Glu HA . 17534 1 465 . 1 1 41 41 GLU HB2 H 1 2.191 0.050 . 2 . . . . 41 Glu HB2 . 17534 1 466 . 1 1 41 41 GLU HB3 H 1 2.070 0.050 . 2 . . . . 41 Glu HB3 . 17534 1 467 . 1 1 41 41 GLU HG2 H 1 2.209 0.050 . 2 . . . . 41 Glu HG2 . 17534 1 468 . 1 1 41 41 GLU HG3 H 1 2.280 0.050 . 2 . . . . 41 Glu HG3 . 17534 1 469 . 1 1 41 41 GLU C C 13 174.461 0.200 . 1 . . . . 41 Glu C . 17534 1 470 . 1 1 41 41 GLU CA C 13 55.750 0.200 . 1 . . . . 41 Glu CA . 17534 1 471 . 1 1 41 41 GLU CB C 13 30.388 0.200 . 1 . . . . 41 Glu CB . 17534 1 472 . 1 1 41 41 GLU CG C 13 35.136 0.200 . 1 . . . . 41 Glu CG . 17534 1 473 . 1 1 41 41 GLU N N 15 118.437 0.300 . 1 . . . . 41 Glu N . 17534 1 474 . 1 1 42 42 LYS H H 1 8.318 0.050 . 1 . . . . 42 Lys H . 17534 1 475 . 1 1 42 42 LYS HA H 1 4.451 0.050 . 1 . . . . 42 Lys HA . 17534 1 476 . 1 1 42 42 LYS HB2 H 1 1.541 0.050 . 2 . . . . 42 Lys HB2 . 17534 1 477 . 1 1 42 42 LYS HB3 H 1 1.453 0.050 . 2 . . . . 42 Lys HB3 . 17534 1 478 . 1 1 42 42 LYS HG2 H 1 0.784 0.050 . 2 . . . . 42 Lys HG2 . 17534 1 479 . 1 1 42 42 LYS HG3 H 1 1.049 0.050 . 2 . . . . 42 Lys HG3 . 17534 1 480 . 1 1 42 42 LYS HD2 H 1 1.478 0.050 . 1 . . . . 42 Lys HD2 . 17534 1 481 . 1 1 42 42 LYS HD3 H 1 1.478 0.050 . 1 . . . . 42 Lys HD3 . 17534 1 482 . 1 1 42 42 LYS HE2 H 1 2.858 0.050 . 1 . . . . 42 Lys HE2 . 17534 1 483 . 1 1 42 42 LYS HE3 H 1 2.858 0.050 . 1 . . . . 42 Lys HE3 . 17534 1 484 . 1 1 42 42 LYS C C 13 177.298 0.200 . 1 . . . . 42 Lys C . 17534 1 485 . 1 1 42 42 LYS CA C 13 56.315 0.200 . 1 . . . . 42 Lys CA . 17534 1 486 . 1 1 42 42 LYS CB C 13 33.265 0.200 . 1 . . . . 42 Lys CB . 17534 1 487 . 1 1 42 42 LYS CG C 13 25.346 0.200 . 1 . . . . 42 Lys CG . 17534 1 488 . 1 1 42 42 LYS CD C 13 29.510 0.200 . 1 . . . . 42 Lys CD . 17534 1 489 . 1 1 42 42 LYS CE C 13 41.990 0.200 . 1 . . . . 42 Lys CE . 17534 1 490 . 1 1 42 42 LYS N N 15 122.218 0.300 . 1 . . . . 42 Lys N . 17534 1 491 . 1 1 43 43 VAL H H 1 8.724 0.050 . 1 . . . . 43 Val H . 17534 1 492 . 1 1 43 43 VAL HA H 1 4.571 0.050 . 1 . . . . 43 Val HA . 17534 1 493 . 1 1 43 43 VAL HB H 1 1.984 0.050 . 1 . . . . 43 Val HB . 17534 1 494 . 1 1 43 43 VAL HG11 H 1 0.564 0.050 . 1 . . . . 43 Val HG11 . 17534 1 495 . 1 1 43 43 VAL HG12 H 1 0.564 0.050 . 1 . . . . 43 Val HG12 . 17534 1 496 . 1 1 43 43 VAL HG13 H 1 0.564 0.050 . 1 . . . . 43 Val HG13 . 17534 1 497 . 1 1 43 43 VAL HG21 H 1 0.842 0.050 . 1 . . . . 43 Val HG21 . 17534 1 498 . 1 1 43 43 VAL HG22 H 1 0.842 0.050 . 1 . . . . 43 Val HG22 . 17534 1 499 . 1 1 43 43 VAL HG23 H 1 0.842 0.050 . 1 . . . . 43 Val HG23 . 17534 1 500 . 1 1 43 43 VAL C C 13 174.440 0.200 . 1 . . . . 43 Val C . 17534 1 501 . 1 1 43 43 VAL CA C 13 58.725 0.200 . 1 . . . . 43 Val CA . 17534 1 502 . 1 1 43 43 VAL CB C 13 35.371 0.200 . 1 . . . . 43 Val CB . 17534 1 503 . 1 1 43 43 VAL CG1 C 13 19.202 0.200 . 1 . . . . 43 Val CG1 . 17534 1 504 . 1 1 43 43 VAL CG2 C 13 21.956 0.200 . 1 . . . . 43 Val CG2 . 17534 1 505 . 1 1 43 43 VAL N N 15 118.735 0.300 . 1 . . . . 43 Val N . 17534 1 506 . 1 1 44 44 ASP H H 1 8.060 0.050 . 1 . . . . 44 Asp H . 17534 1 507 . 1 1 44 44 ASP HA H 1 4.556 0.050 . 1 . . . . 44 Asp HA . 17534 1 508 . 1 1 44 44 ASP HB2 H 1 2.783 0.050 . 2 . . . . 44 Asp HB2 . 17534 1 509 . 1 1 44 44 ASP HB3 H 1 2.475 0.050 . 2 . . . . 44 Asp HB3 . 17534 1 510 . 1 1 44 44 ASP C C 13 177.124 0.200 . 1 . . . . 44 Asp C . 17534 1 511 . 1 1 44 44 ASP CA C 13 53.942 0.200 . 1 . . . . 44 Asp CA . 17534 1 512 . 1 1 44 44 ASP CB C 13 42.120 0.200 . 1 . . . . 44 Asp CB . 17534 1 513 . 1 1 44 44 ASP N N 15 121.083 0.300 . 1 . . . . 44 Asp N . 17534 1 514 . 1 1 45 45 GLU H H 1 8.643 0.050 . 1 . . . . 45 Glu H . 17534 1 515 . 1 1 45 45 GLU HA H 1 3.216 0.050 . 1 . . . . 45 Glu HA . 17534 1 516 . 1 1 45 45 GLU HB2 H 1 1.944 0.050 . 1 . . . . 45 Glu HB2 . 17534 1 517 . 1 1 45 45 GLU HB3 H 1 1.944 0.050 . 1 . . . . 45 Glu HB3 . 17534 1 518 . 1 1 45 45 GLU HG2 H 1 2.068 0.050 . 2 . . . . 45 Glu HG2 . 17534 1 519 . 1 1 45 45 GLU HG3 H 1 1.965 0.050 . 2 . . . . 45 Glu HG3 . 17534 1 520 . 1 1 45 45 GLU C C 13 176.697 0.200 . 1 . . . . 45 Glu C . 17534 1 521 . 1 1 45 45 GLU CA C 13 59.049 0.200 . 1 . . . . 45 Glu CA . 17534 1 522 . 1 1 45 45 GLU CB C 13 29.693 0.200 . 1 . . . . 45 Glu CB . 17534 1 523 . 1 1 45 45 GLU CG C 13 35.719 0.200 . 1 . . . . 45 Glu CG . 17534 1 524 . 1 1 45 45 GLU N N 15 120.102 0.300 . 1 . . . . 45 Glu N . 17534 1 525 . 1 1 46 46 ASP H H 1 8.277 0.050 . 1 . . . . 46 Asp H . 17534 1 526 . 1 1 46 46 ASP HA H 1 4.359 0.050 . 1 . . . . 46 Asp HA . 17534 1 527 . 1 1 46 46 ASP HB2 H 1 2.700 0.050 . 2 . . . . 46 Asp HB2 . 17534 1 528 . 1 1 46 46 ASP HB3 H 1 2.561 0.050 . 2 . . . . 46 Asp HB3 . 17534 1 529 . 1 1 46 46 ASP C C 13 176.954 0.200 . 1 . . . . 46 Asp C . 17534 1 530 . 1 1 46 46 ASP CA C 13 54.632 0.200 . 1 . . . . 46 Asp CA . 17534 1 531 . 1 1 46 46 ASP CB C 13 39.767 0.200 . 1 . . . . 46 Asp CB . 17534 1 532 . 1 1 46 46 ASP N N 15 115.291 0.300 . 1 . . . . 46 Asp N . 17534 1 533 . 1 1 47 47 LYS H H 1 7.692 0.050 . 1 . . . . 47 Lys H . 17534 1 534 . 1 1 47 47 LYS HA H 1 4.270 0.050 . 1 . . . . 47 Lys HA . 17534 1 535 . 1 1 47 47 LYS HB2 H 1 1.849 0.050 . 2 . . . . 47 Lys HB2 . 17534 1 536 . 1 1 47 47 LYS HB3 H 1 1.716 0.050 . 2 . . . . 47 Lys HB3 . 17534 1 537 . 1 1 47 47 LYS HG2 H 1 1.369 0.050 . 2 . . . . 47 Lys HG2 . 17534 1 538 . 1 1 47 47 LYS HG3 H 1 1.458 0.050 . 2 . . . . 47 Lys HG3 . 17534 1 539 . 1 1 47 47 LYS HD2 H 1 1.560 0.050 . 1 . . . . 47 Lys HD2 . 17534 1 540 . 1 1 47 47 LYS HD3 H 1 1.560 0.050 . 1 . . . . 47 Lys HD3 . 17534 1 541 . 1 1 47 47 LYS HE2 H 1 2.977 0.050 . 1 . . . . 47 Lys HE2 . 17534 1 542 . 1 1 47 47 LYS HE3 H 1 2.977 0.050 . 1 . . . . 47 Lys HE3 . 17534 1 543 . 1 1 47 47 LYS C C 13 176.009 0.200 . 1 . . . . 47 Lys C . 17534 1 544 . 1 1 47 47 LYS CA C 13 54.752 0.200 . 1 . . . . 47 Lys CA . 17534 1 545 . 1 1 47 47 LYS CB C 13 31.577 0.200 . 1 . . . . 47 Lys CB . 17534 1 546 . 1 1 47 47 LYS CG C 13 24.689 0.200 . 1 . . . . 47 Lys CG . 17534 1 547 . 1 1 47 47 LYS CD C 13 28.110 0.200 . 1 . . . . 47 Lys CD . 17534 1 548 . 1 1 47 47 LYS CE C 13 42.182 0.200 . 1 . . . . 47 Lys CE . 17534 1 549 . 1 1 47 47 LYS N N 15 118.975 0.300 . 1 . . . . 47 Lys N . 17534 1 550 . 1 1 48 48 LYS H H 1 6.978 0.050 . 1 . . . . 48 Lys H . 17534 1 551 . 1 1 48 48 LYS HA H 1 3.952 0.050 . 1 . . . . 48 Lys HA . 17534 1 552 . 1 1 48 48 LYS HB2 H 1 1.190 0.050 . 2 . . . . 48 Lys HB2 . 17534 1 553 . 1 1 48 48 LYS HB3 H 1 0.900 0.050 . 2 . . . . 48 Lys HB3 . 17534 1 554 . 1 1 48 48 LYS HG2 H 1 0.680 0.050 . 1 . . . . 48 Lys HG2 . 17534 1 555 . 1 1 48 48 LYS HG3 H 1 0.680 0.050 . 1 . . . . 48 Lys HG3 . 17534 1 556 . 1 1 48 48 LYS HD2 H 1 -0.285 0.050 . 2 . . . . 48 Lys HD2 . 17534 1 557 . 1 1 48 48 LYS HD3 H 1 0.241 0.050 . 2 . . . . 48 Lys HD3 . 17534 1 558 . 1 1 48 48 LYS HE2 H 1 2.160 0.050 . 1 . . . . 48 Lys HE2 . 17534 1 559 . 1 1 48 48 LYS HE3 H 1 2.160 0.050 . 1 . . . . 48 Lys HE3 . 17534 1 560 . 1 1 48 48 LYS C C 13 174.848 0.200 . 1 . . . . 48 Lys C . 17534 1 561 . 1 1 48 48 LYS CA C 13 55.866 0.200 . 1 . . . . 48 Lys CA . 17534 1 562 . 1 1 48 48 LYS CB C 13 33.654 0.200 . 1 . . . . 48 Lys CB . 17534 1 563 . 1 1 48 48 LYS CG C 13 22.690 0.200 . 1 . . . . 48 Lys CG . 17534 1 564 . 1 1 48 48 LYS CD C 13 28.840 0.200 . 1 . . . . 48 Lys CD . 17534 1 565 . 1 1 48 48 LYS CE C 13 41.445 0.200 . 1 . . . . 48 Lys CE . 17534 1 566 . 1 1 48 48 LYS N N 15 116.606 0.300 . 1 . . . . 48 Lys N . 17534 1 567 . 1 1 49 49 GLY H H 1 7.800 0.050 . 1 . . . . 49 Gly H . 17534 1 568 . 1 1 49 49 GLY HA2 H 1 4.122 0.050 . 2 . . . . 49 Gly HA2 . 17534 1 569 . 1 1 49 49 GLY HA3 H 1 3.365 0.050 . 2 . . . . 49 Gly HA3 . 17534 1 570 . 1 1 49 49 GLY C C 13 173.258 0.200 . 1 . . . . 49 Gly C . 17534 1 571 . 1 1 49 49 GLY CA C 13 43.952 0.200 . 1 . . . . 49 Gly CA . 17534 1 572 . 1 1 49 49 GLY N N 15 109.875 0.300 . 1 . . . . 49 Gly N . 17534 1 573 . 1 1 50 50 LYS H H 1 7.867 0.050 . 1 . . . . 50 Lys H . 17534 1 574 . 1 1 50 50 LYS HA H 1 4.451 0.050 . 1 . . . . 50 Lys HA . 17534 1 575 . 1 1 50 50 LYS HB2 H 1 1.822 0.050 . 1 . . . . 50 Lys HB2 . 17534 1 576 . 1 1 50 50 LYS HB3 H 1 1.822 0.050 . 1 . . . . 50 Lys HB3 . 17534 1 577 . 1 1 50 50 LYS HG2 H 1 1.373 0.050 . 2 . . . . 50 Lys HG2 . 17534 1 578 . 1 1 50 50 LYS HG3 H 1 1.501 0.050 . 2 . . . . 50 Lys HG3 . 17534 1 579 . 1 1 50 50 LYS HD2 H 1 1.663 0.050 . 1 . . . . 50 Lys HD2 . 17534 1 580 . 1 1 50 50 LYS HD3 H 1 1.663 0.050 . 1 . . . . 50 Lys HD3 . 17534 1 581 . 1 1 50 50 LYS HE2 H 1 2.977 0.050 . 1 . . . . 50 Lys HE2 . 17534 1 582 . 1 1 50 50 LYS HE3 H 1 2.977 0.050 . 1 . . . . 50 Lys HE3 . 17534 1 583 . 1 1 50 50 LYS C C 13 176.180 0.200 . 1 . . . . 50 Lys C . 17534 1 584 . 1 1 50 50 LYS CA C 13 55.378 0.200 . 1 . . . . 50 Lys CA . 17534 1 585 . 1 1 50 50 LYS CB C 13 33.995 0.200 . 1 . . . . 50 Lys CB . 17534 1 586 . 1 1 50 50 LYS CG C 13 24.340 0.200 . 1 . . . . 50 Lys CG . 17534 1 587 . 1 1 50 50 LYS CD C 13 29.336 0.200 . 1 . . . . 50 Lys CD . 17534 1 588 . 1 1 50 50 LYS CE C 13 42.188 0.200 . 1 . . . . 50 Lys CE . 17534 1 589 . 1 1 50 50 LYS N N 15 122.060 0.300 . 1 . . . . 50 Lys N . 17534 1 590 . 1 1 51 51 VAL H H 1 8.560 0.050 . 1 . . . . 51 Val H . 17534 1 591 . 1 1 51 51 VAL HA H 1 3.696 0.050 . 1 . . . . 51 Val HA . 17534 1 592 . 1 1 51 51 VAL HB H 1 1.960 0.050 . 1 . . . . 51 Val HB . 17534 1 593 . 1 1 51 51 VAL HG11 H 1 0.853 0.050 . 1 . . . . 51 Val HG11 . 17534 1 594 . 1 1 51 51 VAL HG12 H 1 0.853 0.050 . 1 . . . . 51 Val HG12 . 17534 1 595 . 1 1 51 51 VAL HG13 H 1 0.853 0.050 . 1 . . . . 51 Val HG13 . 17534 1 596 . 1 1 51 51 VAL HG21 H 1 0.911 0.050 . 1 . . . . 51 Val HG21 . 17534 1 597 . 1 1 51 51 VAL HG22 H 1 0.911 0.050 . 1 . . . . 51 Val HG22 . 17534 1 598 . 1 1 51 51 VAL HG23 H 1 0.911 0.050 . 1 . . . . 51 Val HG23 . 17534 1 599 . 1 1 51 51 VAL C C 13 176.696 0.200 . 1 . . . . 51 Val C . 17534 1 600 . 1 1 51 51 VAL CA C 13 63.631 0.200 . 1 . . . . 51 Val CA . 17534 1 601 . 1 1 51 51 VAL CB C 13 32.178 0.200 . 1 . . . . 51 Val CB . 17534 1 602 . 1 1 51 51 VAL CG1 C 13 23.262 0.200 . 1 . . . . 51 Val CG1 . 17534 1 603 . 1 1 51 51 VAL CG2 C 13 20.875 0.200 . 1 . . . . 51 Val CG2 . 17534 1 604 . 1 1 51 51 VAL N N 15 122.532 0.300 . 1 . . . . 51 Val N . 17534 1 605 . 1 1 52 52 ILE H H 1 8.992 0.050 . 1 . . . . 52 Ile H . 17534 1 606 . 1 1 52 52 ILE HA H 1 4.688 0.050 . 1 . . . . 52 Ile HA . 17534 1 607 . 1 1 52 52 ILE HB H 1 2.060 0.050 . 1 . . . . 52 Ile HB . 17534 1 608 . 1 1 52 52 ILE HG12 H 1 0.954 0.050 . 1 . . . . 52 Ile HG12 . 17534 1 609 . 1 1 52 52 ILE HG13 H 1 0.954 0.050 . 1 . . . . 52 Ile HG13 . 17534 1 610 . 1 1 52 52 ILE HG21 H 1 0.963 0.050 . 1 . . . . 52 Ile HG21 . 17534 1 611 . 1 1 52 52 ILE HG22 H 1 0.963 0.050 . 1 . . . . 52 Ile HG22 . 17534 1 612 . 1 1 52 52 ILE HG23 H 1 0.963 0.050 . 1 . . . . 52 Ile HG23 . 17534 1 613 . 1 1 52 52 ILE HD11 H 1 0.726 0.050 . 1 . . . . 52 Ile HD11 . 17534 1 614 . 1 1 52 52 ILE HD12 H 1 0.726 0.050 . 1 . . . . 52 Ile HD12 . 17534 1 615 . 1 1 52 52 ILE HD13 H 1 0.726 0.050 . 1 . . . . 52 Ile HD13 . 17534 1 616 . 1 1 52 52 ILE C C 13 175.622 0.200 . 1 . . . . 52 Ile C . 17534 1 617 . 1 1 52 52 ILE CA C 13 61.240 0.200 . 1 . . . . 52 Ile CA . 17534 1 618 . 1 1 52 52 ILE CB C 13 40.049 0.200 . 1 . . . . 52 Ile CB . 17534 1 619 . 1 1 52 52 ILE CG1 C 13 25.813 0.200 . 1 . . . . 52 Ile CG1 . 17534 1 620 . 1 1 52 52 ILE CG2 C 13 18.115 0.200 . 1 . . . . 52 Ile CG2 . 17534 1 621 . 1 1 52 52 ILE CD1 C 13 13.557 0.200 . 1 . . . . 52 Ile CD1 . 17534 1 622 . 1 1 52 52 ILE N N 15 121.088 0.300 . 1 . . . . 52 Ile N . 17534 1 623 . 1 1 53 53 GLY H H 1 7.673 0.050 . 1 . . . . 53 Gly H . 17534 1 624 . 1 1 53 53 GLY HA2 H 1 3.973 0.050 . 2 . . . . 53 Gly HA2 . 17534 1 625 . 1 1 53 53 GLY HA3 H 1 4.565 0.050 . 2 . . . . 53 Gly HA3 . 17534 1 626 . 1 1 53 53 GLY CA C 13 45.840 0.200 . 1 . . . . 53 Gly CA . 17534 1 627 . 1 1 53 53 GLY N N 15 109.977 0.300 . 1 . . . . 53 Gly N . 17534 1 628 . 1 1 54 54 ALA H H 1 9.013 0.050 . 1 . . . . 54 Ala H . 17534 1 629 . 1 1 54 54 ALA HA H 1 4.672 0.050 . 1 . . . . 54 Ala HA . 17534 1 630 . 1 1 54 54 ALA HB1 H 1 1.360 0.050 . 1 . . . . 54 Ala HB1 . 17534 1 631 . 1 1 54 54 ALA HB2 H 1 1.360 0.050 . 1 . . . . 54 Ala HB2 . 17534 1 632 . 1 1 54 54 ALA HB3 H 1 1.360 0.050 . 1 . . . . 54 Ala HB3 . 17534 1 633 . 1 1 54 54 ALA C C 13 176.094 0.200 . 1 . . . . 54 Ala C . 17534 1 634 . 1 1 54 54 ALA CA C 13 52.829 0.200 . 1 . . . . 54 Ala CA . 17534 1 635 . 1 1 54 54 ALA CB C 13 21.542 0.200 . 1 . . . . 54 Ala CB . 17534 1 636 . 1 1 54 54 ALA N N 15 121.763 0.300 . 1 . . . . 54 Ala N . 17534 1 637 . 1 1 55 55 ILE H H 1 8.473 0.050 . 1 . . . . 55 Ile H . 17534 1 638 . 1 1 55 55 ILE HA H 1 4.290 0.050 . 1 . . . . 55 Ile HA . 17534 1 639 . 1 1 55 55 ILE HB H 1 1.805 0.050 . 1 . . . . 55 Ile HB . 17534 1 640 . 1 1 55 55 ILE HG12 H 1 1.663 0.050 . 2 . . . . 55 Ile HG12 . 17534 1 641 . 1 1 55 55 ILE HG13 H 1 1.361 0.050 . 2 . . . . 55 Ile HG13 . 17534 1 642 . 1 1 55 55 ILE HG21 H 1 1.038 0.050 . 1 . . . . 55 Ile HG21 . 17534 1 643 . 1 1 55 55 ILE HG22 H 1 1.038 0.050 . 1 . . . . 55 Ile HG22 . 17534 1 644 . 1 1 55 55 ILE HG23 H 1 1.038 0.050 . 1 . . . . 55 Ile HG23 . 17534 1 645 . 1 1 55 55 ILE HD11 H 1 0.841 0.050 . 1 . . . . 55 Ile HD11 . 17534 1 646 . 1 1 55 55 ILE HD12 H 1 0.841 0.050 . 1 . . . . 55 Ile HD12 . 17534 1 647 . 1 1 55 55 ILE HD13 H 1 0.841 0.050 . 1 . . . . 55 Ile HD13 . 17534 1 648 . 1 1 55 55 ILE C C 13 177.858 0.200 . 1 . . . . 55 Ile C . 17534 1 649 . 1 1 55 55 ILE CA C 13 64.244 0.200 . 1 . . . . 55 Ile CA . 17534 1 650 . 1 1 55 55 ILE CB C 13 38.847 0.200 . 1 . . . . 55 Ile CB . 17534 1 651 . 1 1 55 55 ILE CG1 C 13 28.216 0.200 . 1 . . . . 55 Ile CG1 . 17534 1 652 . 1 1 55 55 ILE CG2 C 13 17.921 0.200 . 1 . . . . 55 Ile CG2 . 17534 1 653 . 1 1 55 55 ILE CD1 C 13 13.545 0.200 . 1 . . . . 55 Ile CD1 . 17534 1 654 . 1 1 55 55 ILE N N 15 121.528 0.300 . 1 . . . . 55 Ile N . 17534 1 655 . 1 1 56 56 GLY H H 1 7.701 0.050 . 1 . . . . 56 Gly H . 17534 1 656 . 1 1 56 56 GLY HA2 H 1 4.148 0.050 . 2 . . . . 56 Gly HA2 . 17534 1 657 . 1 1 56 56 GLY HA3 H 1 3.723 0.050 . 2 . . . . 56 Gly HA3 . 17534 1 658 . 1 1 56 56 GLY C C 13 174.805 0.200 . 1 . . . . 56 Gly C . 17534 1 659 . 1 1 56 56 GLY CA C 13 48.388 0.200 . 1 . . . . 56 Gly CA . 17534 1 660 . 1 1 56 56 GLY N N 15 106.647 0.300 . 1 . . . . 56 Gly N . 17534 1 661 . 1 1 57 57 GLN H H 1 7.937 0.050 . 1 . . . . 57 Gln H . 17534 1 662 . 1 1 57 57 GLN HA H 1 4.725 0.050 . 1 . . . . 57 Gln HA . 17534 1 663 . 1 1 57 57 GLN HB2 H 1 1.592 0.050 . 1 . . . . 57 Gln HB2 . 17534 1 664 . 1 1 57 57 GLN HB3 H 1 1.592 0.050 . 1 . . . . 57 Gln HB3 . 17534 1 665 . 1 1 57 57 GLN HG2 H 1 2.321 0.050 . 2 . . . . 57 Gln HG2 . 17534 1 666 . 1 1 57 57 GLN HG3 H 1 2.272 0.050 . 2 . . . . 57 Gln HG3 . 17534 1 667 . 1 1 57 57 GLN HE21 H 1 7.047 0.050 . 1 . . . . 57 Gln HE21 . 17534 1 668 . 1 1 57 57 GLN HE22 H 1 7.308 0.050 . 1 . . . . 57 Gln HE22 . 17534 1 669 . 1 1 57 57 GLN C C 13 173.947 0.200 . 1 . . . . 57 Gln C . 17534 1 670 . 1 1 57 57 GLN CA C 13 55.099 0.200 . 1 . . . . 57 Gln CA . 17534 1 671 . 1 1 57 57 GLN CB C 13 35.678 0.200 . 1 . . . . 57 Gln CB . 17534 1 672 . 1 1 57 57 GLN CG C 13 34.627 0.200 . 1 . . . . 57 Gln CG . 17534 1 673 . 1 1 57 57 GLN N N 15 116.187 0.300 . 1 . . . . 57 Gln N . 17534 1 674 . 1 1 57 57 GLN NE2 N 15 111.523 0.300 . 1 . . . . 57 Gln NE2 . 17534 1 675 . 1 1 58 58 THR H H 1 8.346 0.050 . 1 . . . . 58 Thr H . 17534 1 676 . 1 1 58 58 THR HA H 1 5.172 0.050 . 1 . . . . 58 Thr HA . 17534 1 677 . 1 1 58 58 THR HB H 1 3.707 0.050 . 1 . . . . 58 Thr HB . 17534 1 678 . 1 1 58 58 THR HG21 H 1 0.631 0.050 . 1 . . . . 58 Thr HG21 . 17534 1 679 . 1 1 58 58 THR HG22 H 1 0.631 0.050 . 1 . . . . 58 Thr HG22 . 17534 1 680 . 1 1 58 58 THR HG23 H 1 0.631 0.050 . 1 . . . . 58 Thr HG23 . 17534 1 681 . 1 1 58 58 THR C C 13 172.571 0.200 . 1 . . . . 58 Thr C . 17534 1 682 . 1 1 58 58 THR CA C 13 61.417 0.200 . 1 . . . . 58 Thr CA . 17534 1 683 . 1 1 58 58 THR CB C 13 71.141 0.200 . 1 . . . . 58 Thr CB . 17534 1 684 . 1 1 58 58 THR CG2 C 13 22.290 0.200 . 1 . . . . 58 Thr CG2 . 17534 1 685 . 1 1 58 58 THR N N 15 119.112 0.300 . 1 . . . . 58 Thr N . 17534 1 686 . 1 1 59 59 PHE H H 1 8.820 0.050 . 1 . . . . 59 Phe H . 17534 1 687 . 1 1 59 59 PHE HA H 1 4.784 0.050 . 1 . . . . 59 Phe HA . 17534 1 688 . 1 1 59 59 PHE HB2 H 1 3.196 0.050 . 2 . . . . 59 Phe HB2 . 17534 1 689 . 1 1 59 59 PHE HB3 H 1 2.774 0.050 . 2 . . . . 59 Phe HB3 . 17534 1 690 . 1 1 59 59 PHE HD1 H 1 7.420 0.050 . 3 . . . . 59 Phe HD1 . 17534 1 691 . 1 1 59 59 PHE HD2 H 1 7.420 0.050 . 3 . . . . 59 Phe HD2 . 17534 1 692 . 1 1 59 59 PHE HE1 H 1 7.194 0.050 . 3 . . . . 59 Phe HE1 . 17534 1 693 . 1 1 59 59 PHE HE2 H 1 7.194 0.050 . 3 . . . . 59 Phe HE2 . 17534 1 694 . 1 1 59 59 PHE C C 13 172.355 0.200 . 1 . . . . 59 Phe C . 17534 1 695 . 1 1 59 59 PHE CA C 13 55.553 0.200 . 1 . . . . 59 Phe CA . 17534 1 696 . 1 1 59 59 PHE CB C 13 43.933 0.200 . 1 . . . . 59 Phe CB . 17534 1 697 . 1 1 59 59 PHE CD1 C 13 132.301 0.200 . 3 . . . . 59 Phe CD1 . 17534 1 698 . 1 1 59 59 PHE CD2 C 13 132.301 0.200 . 3 . . . . 59 Phe CD2 . 17534 1 699 . 1 1 59 59 PHE CE1 C 13 130.930 0.200 . 3 . . . . 59 Phe CE1 . 17534 1 700 . 1 1 59 59 PHE CE2 C 13 130.930 0.200 . 3 . . . . 59 Phe CE2 . 17534 1 701 . 1 1 59 59 PHE N N 15 125.434 0.300 . 1 . . . . 59 Phe N . 17534 1 702 . 1 1 60 60 PHE H H 1 9.617 0.050 . 1 . . . . 60 Phe H . 17534 1 703 . 1 1 60 60 PHE HA H 1 5.495 0.050 . 1 . . . . 60 Phe HA . 17534 1 704 . 1 1 60 60 PHE HB2 H 1 2.503 0.050 . 2 . . . . 60 Phe HB2 . 17534 1 705 . 1 1 60 60 PHE HB3 H 1 2.249 0.050 . 2 . . . . 60 Phe HB3 . 17534 1 706 . 1 1 60 60 PHE HD1 H 1 6.771 0.050 . 3 . . . . 60 Phe HD1 . 17534 1 707 . 1 1 60 60 PHE HD2 H 1 6.771 0.050 . 3 . . . . 60 Phe HD2 . 17534 1 708 . 1 1 60 60 PHE HE1 H 1 7.126 0.050 . 3 . . . . 60 Phe HE1 . 17534 1 709 . 1 1 60 60 PHE HE2 H 1 7.126 0.050 . 3 . . . . 60 Phe HE2 . 17534 1 710 . 1 1 60 60 PHE C C 13 175.964 0.200 . 1 . . . . 60 Phe C . 17534 1 711 . 1 1 60 60 PHE CA C 13 56.496 0.200 . 1 . . . . 60 Phe CA . 17534 1 712 . 1 1 60 60 PHE CB C 13 42.355 0.200 . 1 . . . . 60 Phe CB . 17534 1 713 . 1 1 60 60 PHE CD1 C 13 132.125 0.200 . 3 . . . . 60 Phe CD1 . 17534 1 714 . 1 1 60 60 PHE CD2 C 13 132.125 0.200 . 3 . . . . 60 Phe CD2 . 17534 1 715 . 1 1 60 60 PHE CE1 C 13 130.750 0.200 . 3 . . . . 60 Phe CE1 . 17534 1 716 . 1 1 60 60 PHE CE2 C 13 130.750 0.200 . 3 . . . . 60 Phe CE2 . 17534 1 717 . 1 1 60 60 PHE N N 15 117.699 0.300 . 1 . . . . 60 Phe N . 17534 1 718 . 1 1 61 61 VAL H H 1 9.140 0.050 . 1 . . . . 61 Val H . 17534 1 719 . 1 1 61 61 VAL HA H 1 5.703 0.050 . 1 . . . . 61 Val HA . 17534 1 720 . 1 1 61 61 VAL HB H 1 1.960 0.050 . 1 . . . . 61 Val HB . 17534 1 721 . 1 1 61 61 VAL HG11 H 1 0.839 0.050 . 1 . . . . 61 Val HG11 . 17534 1 722 . 1 1 61 61 VAL HG12 H 1 0.839 0.050 . 1 . . . . 61 Val HG12 . 17534 1 723 . 1 1 61 61 VAL HG13 H 1 0.839 0.050 . 1 . . . . 61 Val HG13 . 17534 1 724 . 1 1 61 61 VAL HG21 H 1 0.984 0.050 . 1 . . . . 61 Val HG21 . 17534 1 725 . 1 1 61 61 VAL HG22 H 1 0.984 0.050 . 1 . . . . 61 Val HG22 . 17534 1 726 . 1 1 61 61 VAL HG23 H 1 0.984 0.050 . 1 . . . . 61 Val HG23 . 17534 1 727 . 1 1 61 61 VAL C C 13 175.193 0.200 . 1 . . . . 61 Val C . 17534 1 728 . 1 1 61 61 VAL CA C 13 58.437 0.200 . 1 . . . . 61 Val CA . 17534 1 729 . 1 1 61 61 VAL CB C 13 36.516 0.200 . 1 . . . . 61 Val CB . 17534 1 730 . 1 1 61 61 VAL CG1 C 13 21.836 0.200 . 1 . . . . 61 Val CG1 . 17534 1 731 . 1 1 61 61 VAL CG2 C 13 18.616 0.200 . 1 . . . . 61 Val CG2 . 17534 1 732 . 1 1 61 61 VAL N N 15 114.768 0.300 . 1 . . . . 61 Val N . 17534 1 733 . 1 1 62 62 ASP H H 1 8.378 0.050 . 1 . . . . 62 Asp H . 17534 1 734 . 1 1 62 62 ASP HA H 1 5.475 0.050 . 1 . . . . 62 Asp HA . 17534 1 735 . 1 1 62 62 ASP HB2 H 1 3.506 0.050 . 2 . . . . 62 Asp HB2 . 17534 1 736 . 1 1 62 62 ASP HB3 H 1 2.828 0.050 . 2 . . . . 62 Asp HB3 . 17534 1 737 . 1 1 62 62 ASP C C 13 179.341 0.200 . 1 . . . . 62 Asp C . 17534 1 738 . 1 1 62 62 ASP CA C 13 51.512 0.200 . 1 . . . . 62 Asp CA . 17534 1 739 . 1 1 62 62 ASP CB C 13 43.403 0.200 . 1 . . . . 62 Asp CB . 17534 1 740 . 1 1 62 62 ASP N N 15 120.954 0.300 . 1 . . . . 62 Asp N . 17534 1 741 . 1 1 63 63 GLY H H 1 9.059 0.050 . 1 . . . . 63 Gly H . 17534 1 742 . 1 1 63 63 GLY HA2 H 1 3.908 0.050 . 2 . . . . 63 Gly HA2 . 17534 1 743 . 1 1 63 63 GLY HA3 H 1 3.989 0.050 . 2 . . . . 63 Gly HA3 . 17534 1 744 . 1 1 63 63 GLY C C 13 174.763 0.200 . 1 . . . . 63 Gly C . 17534 1 745 . 1 1 63 63 GLY CA C 13 46.548 0.200 . 1 . . . . 63 Gly CA . 17534 1 746 . 1 1 63 63 GLY N N 15 106.547 0.300 . 1 . . . . 63 Gly N . 17534 1 747 . 1 1 64 64 ASP H H 1 8.462 0.050 . 1 . . . . 64 Asp H . 17534 1 748 . 1 1 64 64 ASP HA H 1 4.947 0.050 . 1 . . . . 64 Asp HA . 17534 1 749 . 1 1 64 64 ASP HB2 H 1 2.902 0.050 . 2 . . . . 64 Asp HB2 . 17534 1 750 . 1 1 64 64 ASP HB3 H 1 2.670 0.050 . 2 . . . . 64 Asp HB3 . 17534 1 751 . 1 1 64 64 ASP C C 13 176.417 0.200 . 1 . . . . 64 Asp C . 17534 1 752 . 1 1 64 64 ASP CA C 13 53.907 0.200 . 1 . . . . 64 Asp CA . 17534 1 753 . 1 1 64 64 ASP CB C 13 41.988 0.200 . 1 . . . . 64 Asp CB . 17534 1 754 . 1 1 64 64 ASP N N 15 119.209 0.300 . 1 . . . . 64 Asp N . 17534 1 755 . 1 1 65 65 GLY H H 1 8.126 0.050 . 1 . . . . 65 Gly H . 17534 1 756 . 1 1 65 65 GLY HA2 H 1 3.504 0.050 . 2 . . . . 65 Gly HA2 . 17534 1 757 . 1 1 65 65 GLY HA3 H 1 4.235 0.050 . 2 . . . . 65 Gly HA3 . 17534 1 758 . 1 1 65 65 GLY C C 13 173.559 0.200 . 1 . . . . 65 Gly C . 17534 1 759 . 1 1 65 65 GLY CA C 13 45.317 0.200 . 1 . . . . 65 Gly CA . 17534 1 760 . 1 1 65 65 GLY N N 15 108.724 0.300 . 1 . . . . 65 Gly N . 17534 1 761 . 1 1 66 66 LYS H H 1 8.432 0.050 . 1 . . . . 66 Lys H . 17534 1 762 . 1 1 66 66 LYS HA H 1 4.283 0.050 . 1 . . . . 66 Lys HA . 17534 1 763 . 1 1 66 66 LYS HB2 H 1 1.896 0.050 . 1 . . . . 66 Lys HB2 . 17534 1 764 . 1 1 66 66 LYS HB3 H 1 1.896 0.050 . 1 . . . . 66 Lys HB3 . 17534 1 765 . 1 1 66 66 LYS HG2 H 1 1.381 0.050 . 1 . . . . 66 Lys HG2 . 17534 1 766 . 1 1 66 66 LYS HG3 H 1 1.381 0.050 . 1 . . . . 66 Lys HG3 . 17534 1 767 . 1 1 66 66 LYS HD2 H 1 1.657 0.050 . 1 . . . . 66 Lys HD2 . 17534 1 768 . 1 1 66 66 LYS HD3 H 1 1.657 0.050 . 1 . . . . 66 Lys HD3 . 17534 1 769 . 1 1 66 66 LYS HE2 H 1 2.977 0.050 . 1 . . . . 66 Lys HE2 . 17534 1 770 . 1 1 66 66 LYS HE3 H 1 2.977 0.050 . 1 . . . . 66 Lys HE3 . 17534 1 771 . 1 1 66 66 LYS C C 13 176.481 0.200 . 1 . . . . 66 Lys C . 17534 1 772 . 1 1 66 66 LYS CA C 13 55.631 0.200 . 1 . . . . 66 Lys CA . 17534 1 773 . 1 1 66 66 LYS CB C 13 32.410 0.200 . 1 . . . . 66 Lys CB . 17534 1 774 . 1 1 66 66 LYS CG C 13 24.830 0.200 . 1 . . . . 66 Lys CG . 17534 1 775 . 1 1 66 66 LYS CD C 13 29.031 0.200 . 1 . . . . 66 Lys CD . 17534 1 776 . 1 1 66 66 LYS CE C 13 42.184 0.200 . 1 . . . . 66 Lys CE . 17534 1 777 . 1 1 66 66 LYS N N 15 122.757 0.300 . 1 . . . . 66 Lys N . 17534 1 778 . 1 1 67 67 ARG H H 1 8.989 0.050 . 1 . . . . 67 Arg H . 17534 1 779 . 1 1 67 67 ARG HA H 1 4.965 0.050 . 1 . . . . 67 Arg HA . 17534 1 780 . 1 1 67 67 ARG HB2 H 1 1.998 0.050 . 2 . . . . 67 Arg HB2 . 17534 1 781 . 1 1 67 67 ARG HB3 H 1 1.998 0.050 . 2 . . . . 67 Arg HB3 . 17534 1 782 . 1 1 67 67 ARG HG2 H 1 1.804 0.050 . 1 . . . . 67 Arg HG2 . 17534 1 783 . 1 1 67 67 ARG HG3 H 1 1.804 0.050 . 1 . . . . 67 Arg HG3 . 17534 1 784 . 1 1 67 67 ARG HD2 H 1 3.664 0.050 . 2 . . . . 67 Arg HD2 . 17534 1 785 . 1 1 67 67 ARG HD3 H 1 2.774 0.050 . 2 . . . . 67 Arg HD3 . 17534 1 786 . 1 1 67 67 ARG HE H 1 8.818 0.050 . 1 . . . . 67 Arg HE . 17534 1 787 . 1 1 67 67 ARG C C 13 178.072 0.200 . 1 . . . . 67 Arg C . 17534 1 788 . 1 1 67 67 ARG CA C 13 56.394 0.200 . 1 . . . . 67 Arg CA . 17534 1 789 . 1 1 67 67 ARG CB C 13 32.242 0.200 . 1 . . . . 67 Arg CB . 17534 1 790 . 1 1 67 67 ARG CG C 13 28.472 0.200 . 1 . . . . 67 Arg CG . 17534 1 791 . 1 1 67 67 ARG CD C 13 43.649 0.200 . 1 . . . . 67 Arg CD . 17534 1 792 . 1 1 67 67 ARG N N 15 125.874 0.300 . 1 . . . . 67 Arg N . 17534 1 793 . 1 1 67 67 ARG NE N 15 111.365 0.300 . 1 . . . . 67 Arg NE . 17534 1 794 . 1 1 68 68 TRP H H 1 9.356 0.050 . 1 . . . . 68 Trp H . 17534 1 795 . 1 1 68 68 TRP HA H 1 4.497 0.050 . 1 . . . . 68 Trp HA . 17534 1 796 . 1 1 68 68 TRP HB2 H 1 3.269 0.050 . 1 . . . . 68 Trp HB2 . 17534 1 797 . 1 1 68 68 TRP HB3 H 1 3.269 0.050 . 1 . . . . 68 Trp HB3 . 17534 1 798 . 1 1 68 68 TRP HD1 H 1 6.919 0.050 . 1 . . . . 68 Trp HD1 . 17534 1 799 . 1 1 68 68 TRP HE1 H 1 10.434 0.050 . 1 . . . . 68 Trp HE1 . 17534 1 800 . 1 1 68 68 TRP HE3 H 1 6.824 0.050 . 1 . . . . 68 Trp HE3 . 17534 1 801 . 1 1 68 68 TRP HZ2 H 1 7.132 0.050 . 1 . . . . 68 Trp HZ2 . 17534 1 802 . 1 1 68 68 TRP HZ3 H 1 7.242 0.050 . 1 . . . . 68 Trp HZ3 . 17534 1 803 . 1 1 68 68 TRP HH2 H 1 7.034 0.050 . 1 . . . . 68 Trp HH2 . 17534 1 804 . 1 1 68 68 TRP C C 13 176.524 0.200 . 1 . . . . 68 Trp C . 17534 1 805 . 1 1 68 68 TRP CA C 13 58.270 0.200 . 1 . . . . 68 Trp CA . 17534 1 806 . 1 1 68 68 TRP CB C 13 29.091 0.200 . 1 . . . . 68 Trp CB . 17534 1 807 . 1 1 68 68 TRP CD1 C 13 124.589 0.200 . 1 . . . . 68 Trp CD1 . 17534 1 808 . 1 1 68 68 TRP CE3 C 13 118.260 0.200 . 1 . . . . 68 Trp CE3 . 17534 1 809 . 1 1 68 68 TRP CZ2 C 13 114.515 0.200 . 1 . . . . 68 Trp CZ2 . 17534 1 810 . 1 1 68 68 TRP CZ3 C 13 120.190 0.200 . 1 . . . . 68 Trp CZ3 . 17534 1 811 . 1 1 68 68 TRP CH2 C 13 121.753 0.200 . 1 . . . . 68 Trp CH2 . 17534 1 812 . 1 1 68 68 TRP N N 15 129.312 0.300 . 1 . . . . 68 Trp N . 17534 1 813 . 1 1 68 68 TRP NE1 N 15 129.259 0.300 . 1 . . . . 68 Trp NE1 . 17534 1 814 . 1 1 69 69 SER H H 1 9.254 0.050 . 1 . . . . 69 Ser H . 17534 1 815 . 1 1 69 69 SER HA H 1 4.731 0.050 . 1 . . . . 69 Ser HA . 17534 1 816 . 1 1 69 69 SER HB2 H 1 4.492 0.050 . 2 . . . . 69 Ser HB2 . 17534 1 817 . 1 1 69 69 SER HB3 H 1 4.048 0.050 . 2 . . . . 69 Ser HB3 . 17534 1 818 . 1 1 69 69 SER C C 13 174.678 0.200 . 1 . . . . 69 Ser C . 17534 1 819 . 1 1 69 69 SER CA C 13 56.814 0.200 . 1 . . . . 69 Ser CA . 17534 1 820 . 1 1 69 69 SER CB C 13 65.713 0.200 . 1 . . . . 69 Ser CB . 17534 1 821 . 1 1 69 69 SER N N 15 122.127 0.300 . 1 . . . . 69 Ser N . 17534 1 822 . 1 1 70 70 GLU H H 1 9.127 0.050 . 1 . . . . 70 Glu H . 17534 1 823 . 1 1 70 70 GLU HA H 1 4.095 0.050 . 1 . . . . 70 Glu HA . 17534 1 824 . 1 1 70 70 GLU HB2 H 1 2.110 0.050 . 1 . . . . 70 Glu HB2 . 17534 1 825 . 1 1 70 70 GLU HB3 H 1 2.110 0.050 . 1 . . . . 70 Glu HB3 . 17534 1 826 . 1 1 70 70 GLU HG2 H 1 2.476 0.050 . 1 . . . . 70 Glu HG2 . 17534 1 827 . 1 1 70 70 GLU HG3 H 1 2.476 0.050 . 1 . . . . 70 Glu HG3 . 17534 1 828 . 1 1 70 70 GLU C C 13 179.531 0.200 . 1 . . . . 70 Glu C . 17534 1 829 . 1 1 70 70 GLU CA C 13 59.979 0.200 . 1 . . . . 70 Glu CA . 17534 1 830 . 1 1 70 70 GLU CB C 13 29.434 0.200 . 1 . . . . 70 Glu CB . 17534 1 831 . 1 1 70 70 GLU CG C 13 36.560 0.200 . 1 . . . . 70 Glu CG . 17534 1 832 . 1 1 70 70 GLU N N 15 120.891 0.300 . 1 . . . . 70 Glu N . 17534 1 833 . 1 1 71 71 GLU H H 1 8.644 0.050 . 1 . . . . 71 Glu H . 17534 1 834 . 1 1 71 71 GLU HA H 1 4.031 0.050 . 1 . . . . 71 Glu HA . 17534 1 835 . 1 1 71 71 GLU HB2 H 1 2.019 0.050 . 1 . . . . 71 Glu HB2 . 17534 1 836 . 1 1 71 71 GLU HB3 H 1 2.019 0.050 . 1 . . . . 71 Glu HB3 . 17534 1 837 . 1 1 71 71 GLU HG2 H 1 2.405 0.050 . 1 . . . . 71 Glu HG2 . 17534 1 838 . 1 1 71 71 GLU HG3 H 1 2.405 0.050 . 1 . . . . 71 Glu HG3 . 17534 1 839 . 1 1 71 71 GLU C C 13 179.705 0.200 . 1 . . . . 71 Glu C . 17534 1 840 . 1 1 71 71 GLU CA C 13 59.859 0.200 . 1 . . . . 71 Glu CA . 17534 1 841 . 1 1 71 71 GLU CB C 13 29.382 0.200 . 1 . . . . 71 Glu CB . 17534 1 842 . 1 1 71 71 GLU CG C 13 36.615 0.200 . 1 . . . . 71 Glu CG . 17534 1 843 . 1 1 71 71 GLU N N 15 117.648 0.300 . 1 . . . . 71 Glu N . 17534 1 844 . 1 1 72 72 GLU H H 1 7.906 0.050 . 1 . . . . 72 Glu H . 17534 1 845 . 1 1 72 72 GLU HA H 1 4.116 0.050 . 1 . . . . 72 Glu HA . 17534 1 846 . 1 1 72 72 GLU HB2 H 1 2.023 0.050 . 1 . . . . 72 Glu HB2 . 17534 1 847 . 1 1 72 72 GLU HB3 H 1 2.023 0.050 . 1 . . . . 72 Glu HB3 . 17534 1 848 . 1 1 72 72 GLU HG2 H 1 2.193 0.050 . 1 . . . . 72 Glu HG2 . 17534 1 849 . 1 1 72 72 GLU HG3 H 1 2.193 0.050 . 1 . . . . 72 Glu HG3 . 17534 1 850 . 1 1 72 72 GLU C C 13 179.705 0.200 . 1 . . . . 72 Glu C . 17534 1 851 . 1 1 72 72 GLU CA C 13 58.481 0.200 . 1 . . . . 72 Glu CA . 17534 1 852 . 1 1 72 72 GLU CB C 13 29.554 0.200 . 1 . . . . 72 Glu CB . 17534 1 853 . 1 1 72 72 GLU CG C 13 36.712 0.200 . 1 . . . . 72 Glu CG . 17534 1 854 . 1 1 72 72 GLU N N 15 120.187 0.300 . 1 . . . . 72 Glu N . 17534 1 855 . 1 1 73 73 LEU H H 1 8.109 0.050 . 1 . . . . 73 Leu H . 17534 1 856 . 1 1 73 73 LEU HA H 1 4.143 0.050 . 1 . . . . 73 Leu HA . 17534 1 857 . 1 1 73 73 LEU HB2 H 1 1.951 0.050 . 2 . . . . 73 Leu HB2 . 17534 1 858 . 1 1 73 73 LEU HB3 H 1 1.414 0.050 . 2 . . . . 73 Leu HB3 . 17534 1 859 . 1 1 73 73 LEU HG H 1 2.031 0.050 . 1 . . . . 73 Leu HG . 17534 1 860 . 1 1 73 73 LEU HD11 H 1 0.216 0.050 . 1 . . . . 73 Leu HD11 . 17534 1 861 . 1 1 73 73 LEU HD12 H 1 0.216 0.050 . 1 . . . . 73 Leu HD12 . 17534 1 862 . 1 1 73 73 LEU HD13 H 1 0.216 0.050 . 1 . . . . 73 Leu HD13 . 17534 1 863 . 1 1 73 73 LEU HD21 H 1 0.951 0.050 . 1 . . . . 73 Leu HD21 . 17534 1 864 . 1 1 73 73 LEU HD22 H 1 0.951 0.050 . 1 . . . . 73 Leu HD22 . 17534 1 865 . 1 1 73 73 LEU HD23 H 1 0.951 0.050 . 1 . . . . 73 Leu HD23 . 17534 1 866 . 1 1 73 73 LEU C C 13 178.157 0.200 . 1 . . . . 73 Leu C . 17534 1 867 . 1 1 73 73 LEU CA C 13 56.414 0.200 . 1 . . . . 73 Leu CA . 17534 1 868 . 1 1 73 73 LEU CB C 13 42.363 0.200 . 1 . . . . 73 Leu CB . 17534 1 869 . 1 1 73 73 LEU CG C 13 26.917 0.200 . 1 . . . . 73 Leu CG . 17534 1 870 . 1 1 73 73 LEU CD1 C 13 22.969 0.200 . 1 . . . . 73 Leu CD1 . 17534 1 871 . 1 1 73 73 LEU CD2 C 13 25.879 0.200 . 1 . . . . 73 Leu CD2 . 17534 1 872 . 1 1 73 73 LEU N N 15 118.027 0.300 . 1 . . . . 73 Leu N . 17534 1 873 . 1 1 74 74 LYS H H 1 7.414 0.050 . 1 . . . . 74 Lys H . 17534 1 874 . 1 1 74 74 LYS HA H 1 4.199 0.050 . 1 . . . . 74 Lys HA . 17534 1 875 . 1 1 74 74 LYS HB2 H 1 1.914 0.050 . 1 . . . . 74 Lys HB2 . 17534 1 876 . 1 1 74 74 LYS HB3 H 1 1.914 0.050 . 1 . . . . 74 Lys HB3 . 17534 1 877 . 1 1 74 74 LYS HG2 H 1 1.649 0.050 . 2 . . . . 74 Lys HG2 . 17534 1 878 . 1 1 74 74 LYS HG3 H 1 1.497 0.050 . 2 . . . . 74 Lys HG3 . 17534 1 879 . 1 1 74 74 LYS HD2 H 1 1.662 0.050 . 1 . . . . 74 Lys HD2 . 17534 1 880 . 1 1 74 74 LYS HD3 H 1 1.662 0.050 . 1 . . . . 74 Lys HD3 . 17534 1 881 . 1 1 74 74 LYS HE2 H 1 2.973 0.050 . 1 . . . . 74 Lys HE2 . 17534 1 882 . 1 1 74 74 LYS HE3 H 1 2.973 0.050 . 1 . . . . 74 Lys HE3 . 17534 1 883 . 1 1 74 74 LYS C C 13 176.739 0.200 . 1 . . . . 74 Lys C . 17534 1 884 . 1 1 74 74 LYS CA C 13 57.220 0.200 . 1 . . . . 74 Lys CA . 17534 1 885 . 1 1 74 74 LYS CB C 13 33.286 0.200 . 1 . . . . 74 Lys CB . 17534 1 886 . 1 1 74 74 LYS CG C 13 25.074 0.200 . 1 . . . . 74 Lys CG . 17534 1 887 . 1 1 74 74 LYS CD C 13 29.123 0.200 . 1 . . . . 74 Lys CD . 17534 1 888 . 1 1 74 74 LYS CE C 13 42.157 0.200 . 1 . . . . 74 Lys CE . 17534 1 889 . 1 1 74 74 LYS N N 15 117.599 0.300 . 1 . . . . 74 Lys N . 17534 1 890 . 1 1 75 75 GLU H H 1 7.409 0.050 . 1 . . . . 75 Glu H . 17534 1 891 . 1 1 75 75 GLU HA H 1 4.608 0.050 . 1 . . . . 75 Glu HA . 17534 1 892 . 1 1 75 75 GLU HB2 H 1 2.011 0.050 . 1 . . . . 75 Glu HB2 . 17534 1 893 . 1 1 75 75 GLU HB3 H 1 2.011 0.050 . 1 . . . . 75 Glu HB3 . 17534 1 894 . 1 1 75 75 GLU HG2 H 1 2.403 0.050 . 2 . . . . 75 Glu HG2 . 17534 1 895 . 1 1 75 75 GLU HG3 H 1 2.335 0.050 . 2 . . . . 75 Glu HG3 . 17534 1 896 . 1 1 75 75 GLU CA C 13 54.336 0.200 . 1 . . . . 75 Glu CA . 17534 1 897 . 1 1 75 75 GLU CB C 13 29.881 0.200 . 1 . . . . 75 Glu CB . 17534 1 898 . 1 1 75 75 GLU CG C 13 35.784 0.200 . 1 . . . . 75 Glu CG . 17534 1 899 . 1 1 75 75 GLU N N 15 120.023 0.300 . 1 . . . . 75 Glu N . 17534 1 900 . 1 1 76 76 PRO HA H 1 4.412 0.050 . 1 . . . . 76 Pro HA . 17534 1 901 . 1 1 76 76 PRO HB2 H 1 2.260 0.050 . 2 . . . . 76 Pro HB2 . 17534 1 902 . 1 1 76 76 PRO HB3 H 1 1.824 0.050 . 2 . . . . 76 Pro HB3 . 17534 1 903 . 1 1 76 76 PRO HG2 H 1 2.005 0.050 . 1 . . . . 76 Pro HG2 . 17534 1 904 . 1 1 76 76 PRO HG3 H 1 2.005 0.050 . 1 . . . . 76 Pro HG3 . 17534 1 905 . 1 1 76 76 PRO HD2 H 1 3.817 0.050 . 2 . . . . 76 Pro HD2 . 17534 1 906 . 1 1 76 76 PRO HD3 H 1 3.691 0.050 . 2 . . . . 76 Pro HD3 . 17534 1 907 . 1 1 76 76 PRO C C 13 176.672 0.200 . 1 . . . . 76 Pro C . 17534 1 908 . 1 1 76 76 PRO CA C 13 63.476 0.200 . 1 . . . . 76 Pro CA . 17534 1 909 . 1 1 76 76 PRO CB C 13 31.945 0.200 . 1 . . . . 76 Pro CB . 17534 1 910 . 1 1 76 76 PRO CG C 13 27.195 0.200 . 1 . . . . 76 Pro CG . 17534 1 911 . 1 1 76 76 PRO CD C 13 50.640 0.200 . 1 . . . . 76 Pro CD . 17534 1 912 . 1 1 77 77 TYR H H 1 8.436 0.050 . 1 . . . . 77 Tyr H . 17534 1 913 . 1 1 77 77 TYR HA H 1 4.632 0.050 . 1 . . . . 77 Tyr HA . 17534 1 914 . 1 1 77 77 TYR HB2 H 1 3.065 0.050 . 2 . . . . 77 Tyr HB2 . 17534 1 915 . 1 1 77 77 TYR HB3 H 1 2.988 0.050 . 2 . . . . 77 Tyr HB3 . 17534 1 916 . 1 1 77 77 TYR HD1 H 1 7.174 0.050 . 3 . . . . 77 Tyr HD1 . 17534 1 917 . 1 1 77 77 TYR HD2 H 1 7.174 0.050 . 3 . . . . 77 Tyr HD2 . 17534 1 918 . 1 1 77 77 TYR HE1 H 1 6.887 0.050 . 3 . . . . 77 Tyr HE1 . 17534 1 919 . 1 1 77 77 TYR HE2 H 1 6.887 0.050 . 3 . . . . 77 Tyr HE2 . 17534 1 920 . 1 1 77 77 TYR C C 13 175.279 0.200 . 1 . . . . 77 Tyr C . 17534 1 921 . 1 1 77 77 TYR CA C 13 58.027 0.200 . 1 . . . . 77 Tyr CA . 17534 1 922 . 1 1 77 77 TYR CB C 13 38.790 0.200 . 1 . . . . 77 Tyr CB . 17534 1 923 . 1 1 77 77 TYR CD1 C 13 133.262 0.200 . 3 . . . . 77 Tyr CD1 . 17534 1 924 . 1 1 77 77 TYR CD2 C 13 133.262 0.200 . 3 . . . . 77 Tyr CD2 . 17534 1 925 . 1 1 77 77 TYR CE1 C 13 118.371 0.200 . 3 . . . . 77 Tyr CE1 . 17534 1 926 . 1 1 77 77 TYR CE2 C 13 118.371 0.200 . 3 . . . . 77 Tyr CE2 . 17534 1 927 . 1 1 77 77 TYR N N 15 122.948 0.300 . 1 . . . . 77 Tyr N . 17534 1 928 . 1 1 78 78 ILE H H 1 8.034 0.050 . 1 . . . . 78 Ile H . 17534 1 929 . 1 1 78 78 ILE HA H 1 4.115 0.050 . 1 . . . . 78 Ile HA . 17534 1 930 . 1 1 78 78 ILE HB H 1 1.759 0.050 . 1 . . . . 78 Ile HB . 17534 1 931 . 1 1 78 78 ILE HG12 H 1 1.396 0.050 . 2 . . . . 78 Ile HG12 . 17534 1 932 . 1 1 78 78 ILE HG13 H 1 1.108 0.050 . 2 . . . . 78 Ile HG13 . 17534 1 933 . 1 1 78 78 ILE HG21 H 1 0.828 0.050 . 1 . . . . 78 Ile HG21 . 17534 1 934 . 1 1 78 78 ILE HG22 H 1 0.828 0.050 . 1 . . . . 78 Ile HG22 . 17534 1 935 . 1 1 78 78 ILE HG23 H 1 0.828 0.050 . 1 . . . . 78 Ile HG23 . 17534 1 936 . 1 1 78 78 ILE HD11 H 1 0.809 0.050 . 1 . . . . 78 Ile HD11 . 17534 1 937 . 1 1 78 78 ILE HD12 H 1 0.809 0.050 . 1 . . . . 78 Ile HD12 . 17534 1 938 . 1 1 78 78 ILE HD13 H 1 0.809 0.050 . 1 . . . . 78 Ile HD13 . 17534 1 939 . 1 1 78 78 ILE C C 13 175.360 0.200 . 1 . . . . 78 Ile C . 17534 1 940 . 1 1 78 78 ILE CA C 13 60.395 0.200 . 1 . . . . 78 Ile CA . 17534 1 941 . 1 1 78 78 ILE CB C 13 39.072 0.200 . 1 . . . . 78 Ile CB . 17534 1 942 . 1 1 78 78 ILE CG1 C 13 26.965 0.200 . 1 . . . . 78 Ile CG1 . 17534 1 943 . 1 1 78 78 ILE CG2 C 13 17.439 0.200 . 1 . . . . 78 Ile CG2 . 17534 1 944 . 1 1 78 78 ILE CD1 C 13 12.694 0.200 . 1 . . . . 78 Ile CD1 . 17534 1 945 . 1 1 78 78 ILE N N 15 125.952 0.300 . 1 . . . . 78 Ile N . 17534 1 946 . 1 1 79 79 SER H H 1 8.213 0.050 . 1 . . . . 79 Ser H . 17534 1 947 . 1 1 79 79 SER HA H 1 4.345 0.050 . 1 . . . . 79 Ser HA . 17534 1 948 . 1 1 79 79 SER HB2 H 1 3.895 0.050 . 2 . . . . 79 Ser HB2 . 17534 1 949 . 1 1 79 79 SER HB3 H 1 3.722 0.050 . 2 . . . . 79 Ser HB3 . 17534 1 950 . 1 1 79 79 SER C C 13 174.376 0.200 . 1 . . . . 79 Ser C . 17534 1 951 . 1 1 79 79 SER CA C 13 57.722 0.200 . 1 . . . . 79 Ser CA . 17534 1 952 . 1 1 79 79 SER CB C 13 63.939 0.200 . 1 . . . . 79 Ser CB . 17534 1 953 . 1 1 79 79 SER N N 15 119.408 0.300 . 1 . . . . 79 Ser N . 17534 1 954 . 1 1 80 80 ASN H H 1 8.476 0.050 . 1 . . . . 80 Asn H . 17534 1 955 . 1 1 80 80 ASN HA H 1 4.638 0.050 . 1 . . . . 80 Asn HA . 17534 1 956 . 1 1 80 80 ASN HB2 H 1 2.779 0.050 . 1 . . . . 80 Asn HB2 . 17534 1 957 . 1 1 80 80 ASN HB3 H 1 2.779 0.050 . 1 . . . . 80 Asn HB3 . 17534 1 958 . 1 1 80 80 ASN HD21 H 1 6.902 0.050 . 1 . . . . 80 Asn HD21 . 17534 1 959 . 1 1 80 80 ASN HD22 H 1 7.542 0.050 . 1 . . . . 80 Asn HD22 . 17534 1 960 . 1 1 80 80 ASN C C 13 174.590 0.200 . 1 . . . . 80 Asn C . 17534 1 961 . 1 1 80 80 ASN CA C 13 53.567 0.200 . 1 . . . . 80 Asn CA . 17534 1 962 . 1 1 80 80 ASN CB C 13 38.717 0.200 . 1 . . . . 80 Asn CB . 17534 1 963 . 1 1 80 80 ASN N N 15 120.848 0.300 . 1 . . . . 80 Asn N . 17534 1 964 . 1 1 80 80 ASN ND2 N 15 113.064 0.300 . 1 . . . . 80 Asn ND2 . 17534 1 965 . 1 1 81 81 ASN H H 1 8.199 0.050 . 1 . . . . 81 Asn H . 17534 1 966 . 1 1 81 81 ASN HA H 1 5.009 0.050 . 1 . . . . 81 Asn HA . 17534 1 967 . 1 1 81 81 ASN HB2 H 1 2.922 0.050 . 2 . . . . 81 Asn HB2 . 17534 1 968 . 1 1 81 81 ASN HB3 H 1 2.690 0.050 . 2 . . . . 81 Asn HB3 . 17534 1 969 . 1 1 81 81 ASN HD21 H 1 7.095 0.050 . 1 . . . . 81 Asn HD21 . 17534 1 970 . 1 1 81 81 ASN HD22 H 1 7.652 0.050 . 1 . . . . 81 Asn HD22 . 17534 1 971 . 1 1 81 81 ASN CA C 13 50.659 0.200 . 1 . . . . 81 Asn CA . 17534 1 972 . 1 1 81 81 ASN CB C 13 39.105 0.200 . 1 . . . . 81 Asn CB . 17534 1 973 . 1 1 81 81 ASN N N 15 118.794 0.300 . 1 . . . . 81 Asn N . 17534 1 974 . 1 1 81 81 ASN ND2 N 15 113.066 0.300 . 1 . . . . 81 Asn ND2 . 17534 1 975 . 1 1 82 82 PRO HA H 1 4.308 0.050 . 1 . . . . 82 Pro HA . 17534 1 976 . 1 1 82 82 PRO HB2 H 1 2.300 0.050 . 2 . . . . 82 Pro HB2 . 17534 1 977 . 1 1 82 82 PRO HB3 H 1 1.997 0.050 . 2 . . . . 82 Pro HB3 . 17534 1 978 . 1 1 82 82 PRO HG2 H 1 2.002 0.050 . 1 . . . . 82 Pro HG2 . 17534 1 979 . 1 1 82 82 PRO HG3 H 1 2.002 0.050 . 1 . . . . 82 Pro HG3 . 17534 1 980 . 1 1 82 82 PRO HD2 H 1 3.826 0.050 . 1 . . . . 82 Pro HD2 . 17534 1 981 . 1 1 82 82 PRO HD3 H 1 3.826 0.050 . 1 . . . . 82 Pro HD3 . 17534 1 982 . 1 1 82 82 PRO C C 13 177.102 0.200 . 1 . . . . 82 Pro C . 17534 1 983 . 1 1 82 82 PRO CA C 13 64.363 0.200 . 1 . . . . 82 Pro CA . 17534 1 984 . 1 1 82 82 PRO CB C 13 32.057 0.200 . 1 . . . . 82 Pro CB . 17534 1 985 . 1 1 82 82 PRO CG C 13 27.140 0.200 . 1 . . . . 82 Pro CG . 17534 1 986 . 1 1 82 82 PRO CD C 13 50.920 0.200 . 1 . . . . 82 Pro CD . 17534 1 987 . 1 1 83 83 ASP H H 1 8.109 0.050 . 1 . . . . 83 Asp H . 17534 1 988 . 1 1 83 83 ASP HA H 1 4.576 0.050 . 1 . . . . 83 Asp HA . 17534 1 989 . 1 1 83 83 ASP HB2 H 1 2.768 0.050 . 2 . . . . 83 Asp HB2 . 17534 1 990 . 1 1 83 83 ASP HB3 H 1 2.606 0.050 . 2 . . . . 83 Asp HB3 . 17534 1 991 . 1 1 83 83 ASP C C 13 176.138 0.200 . 1 . . . . 83 Asp C . 17534 1 992 . 1 1 83 83 ASP CA C 13 54.837 0.200 . 1 . . . . 83 Asp CA . 17534 1 993 . 1 1 83 83 ASP CB C 13 41.050 0.200 . 1 . . . . 83 Asp CB . 17534 1 994 . 1 1 83 83 ASP N N 15 116.763 0.300 . 1 . . . . 83 Asp N . 17534 1 995 . 1 1 84 84 GLU H H 1 7.767 0.050 . 1 . . . . 84 Glu H . 17534 1 996 . 1 1 84 84 GLU HA H 1 4.403 0.050 . 1 . . . . 84 Glu HA . 17534 1 997 . 1 1 84 84 GLU HB2 H 1 2.130 0.050 . 2 . . . . 84 Glu HB2 . 17534 1 998 . 1 1 84 84 GLU HB3 H 1 1.887 0.050 . 2 . . . . 84 Glu HB3 . 17534 1 999 . 1 1 84 84 GLU HG2 H 1 2.181 0.050 . 1 . . . . 84 Glu HG2 . 17534 1 1000 . 1 1 84 84 GLU HG3 H 1 2.181 0.050 . 1 . . . . 84 Glu HG3 . 17534 1 1001 . 1 1 84 84 GLU C C 13 175.536 0.200 . 1 . . . . 84 Glu C . 17534 1 1002 . 1 1 84 84 GLU CA C 13 55.699 0.200 . 1 . . . . 84 Glu CA . 17534 1 1003 . 1 1 84 84 GLU CB C 13 30.677 0.200 . 1 . . . . 84 Glu CB . 17534 1 1004 . 1 1 84 84 GLU CG C 13 36.270 0.200 . 1 . . . . 84 Glu CG . 17534 1 1005 . 1 1 84 84 GLU N N 15 119.806 0.300 . 1 . . . . 84 Glu N . 17534 1 1006 . 1 1 85 85 ILE H H 1 7.898 0.050 . 1 . . . . 85 Ile H . 17534 1 1007 . 1 1 85 85 ILE HA H 1 4.175 0.050 . 1 . . . . 85 Ile HA . 17534 1 1008 . 1 1 85 85 ILE HB H 1 1.842 0.050 . 1 . . . . 85 Ile HB . 17534 1 1009 . 1 1 85 85 ILE HG12 H 1 1.494 0.050 . 2 . . . . 85 Ile HG12 . 17534 1 1010 . 1 1 85 85 ILE HG13 H 1 1.162 0.050 . 2 . . . . 85 Ile HG13 . 17534 1 1011 . 1 1 85 85 ILE HG21 H 1 0.876 0.050 . 1 . . . . 85 Ile HG21 . 17534 1 1012 . 1 1 85 85 ILE HG22 H 1 0.876 0.050 . 1 . . . . 85 Ile HG22 . 17534 1 1013 . 1 1 85 85 ILE HG23 H 1 0.876 0.050 . 1 . . . . 85 Ile HG23 . 17534 1 1014 . 1 1 85 85 ILE HD11 H 1 0.827 0.050 . 1 . . . . 85 Ile HD11 . 17534 1 1015 . 1 1 85 85 ILE HD12 H 1 0.827 0.050 . 1 . . . . 85 Ile HD12 . 17534 1 1016 . 1 1 85 85 ILE HD13 H 1 0.827 0.050 . 1 . . . . 85 Ile HD13 . 17534 1 1017 . 1 1 85 85 ILE C C 13 175.579 0.200 . 1 . . . . 85 Ile C . 17534 1 1018 . 1 1 85 85 ILE CA C 13 61.089 0.200 . 1 . . . . 85 Ile CA . 17534 1 1019 . 1 1 85 85 ILE CB C 13 39.297 0.200 . 1 . . . . 85 Ile CB . 17534 1 1020 . 1 1 85 85 ILE CG1 C 13 27.492 0.200 . 1 . . . . 85 Ile CG1 . 17534 1 1021 . 1 1 85 85 ILE CG2 C 13 17.419 0.200 . 1 . . . . 85 Ile CG2 . 17534 1 1022 . 1 1 85 85 ILE CD1 C 13 13.168 0.200 . 1 . . . . 85 Ile CD1 . 17534 1 1023 . 1 1 85 85 ILE N N 15 122.573 0.300 . 1 . . . . 85 Ile N . 17534 1 1024 . 1 1 86 86 ARG H H 1 8.458 0.050 . 1 . . . . 86 Arg H . 17534 1 1025 . 1 1 86 86 ARG HA H 1 4.478 0.050 . 1 . . . . 86 Arg HA . 17534 1 1026 . 1 1 86 86 ARG HB2 H 1 1.881 0.050 . 2 . . . . 86 Arg HB2 . 17534 1 1027 . 1 1 86 86 ARG HB3 H 1 1.716 0.050 . 2 . . . . 86 Arg HB3 . 17534 1 1028 . 1 1 86 86 ARG HG2 H 1 1.561 0.050 . 2 . . . . 86 Arg HG2 . 17534 1 1029 . 1 1 86 86 ARG HG3 H 1 1.468 0.050 . 2 . . . . 86 Arg HG3 . 17534 1 1030 . 1 1 86 86 ARG HD2 H 1 2.828 0.050 . 1 . . . . 86 Arg HD2 . 17534 1 1031 . 1 1 86 86 ARG HD3 H 1 2.828 0.050 . 1 . . . . 86 Arg HD3 . 17534 1 1032 . 1 1 86 86 ARG HE H 1 8.163 0.050 . 1 . . . . 86 Arg HE . 17534 1 1033 . 1 1 86 86 ARG C C 13 175.815 0.200 . 1 . . . . 86 Arg C . 17534 1 1034 . 1 1 86 86 ARG CA C 13 56.292 0.200 . 1 . . . . 86 Arg CA . 17534 1 1035 . 1 1 86 86 ARG CB C 13 31.760 0.200 . 1 . . . . 86 Arg CB . 17534 1 1036 . 1 1 86 86 ARG CG C 13 27.996 0.200 . 1 . . . . 86 Arg CG . 17534 1 1037 . 1 1 86 86 ARG CD C 13 43.434 0.200 . 1 . . . . 86 Arg CD . 17534 1 1038 . 1 1 86 86 ARG N N 15 128.912 0.300 . 1 . . . . 86 Arg N . 17534 1 1039 . 1 1 86 86 ARG NE N 15 114.011 0.300 . 1 . . . . 86 Arg NE . 17534 1 1040 . 1 1 87 87 GLU H H 1 9.000 0.050 . 1 . . . . 87 Glu H . 17534 1 1041 . 1 1 87 87 GLU HA H 1 4.223 0.050 . 1 . . . . 87 Glu HA . 17534 1 1042 . 1 1 87 87 GLU HB2 H 1 2.095 0.050 . 2 . . . . 87 Glu HB2 . 17534 1 1043 . 1 1 87 87 GLU HB3 H 1 1.987 0.050 . 2 . . . . 87 Glu HB3 . 17534 1 1044 . 1 1 87 87 GLU HG2 H 1 2.421 0.050 . 2 . . . . 87 Glu HG2 . 17534 1 1045 . 1 1 87 87 GLU HG3 H 1 2.317 0.050 . 2 . . . . 87 Glu HG3 . 17534 1 1046 . 1 1 87 87 GLU C C 13 175.019 0.200 . 1 . . . . 87 Glu C . 17534 1 1047 . 1 1 87 87 GLU CA C 13 57.528 0.200 . 1 . . . . 87 Glu CA . 17534 1 1048 . 1 1 87 87 GLU CB C 13 31.651 0.200 . 1 . . . . 87 Glu CB . 17534 1 1049 . 1 1 87 87 GLU CG C 13 37.062 0.200 . 1 . . . . 87 Glu CG . 17534 1 1050 . 1 1 87 87 GLU N N 15 128.150 0.300 . 1 . . . . 87 Glu N . 17534 1 1051 . 1 1 88 88 LYS H H 1 8.737 0.050 . 1 . . . . 88 Lys H . 17534 1 1052 . 1 1 88 88 LYS HA H 1 4.243 0.050 . 1 . . . . 88 Lys HA . 17534 1 1053 . 1 1 88 88 LYS HB2 H 1 1.265 0.050 . 2 . . . . 88 Lys HB2 . 17534 1 1054 . 1 1 88 88 LYS HB3 H 1 1.094 0.050 . 2 . . . . 88 Lys HB3 . 17534 1 1055 . 1 1 88 88 LYS HG2 H 1 0.042 0.050 . 2 . . . . 88 Lys HG2 . 17534 1 1056 . 1 1 88 88 LYS HG3 H 1 -0.252 0.050 . 2 . . . . 88 Lys HG3 . 17534 1 1057 . 1 1 88 88 LYS HD2 H 1 0.387 0.050 . 2 . . . . 88 Lys HD2 . 17534 1 1058 . 1 1 88 88 LYS HD3 H 1 0.241 0.050 . 2 . . . . 88 Lys HD3 . 17534 1 1059 . 1 1 88 88 LYS HE2 H 1 1.359 0.050 . 2 . . . . 88 Lys HE2 . 17534 1 1060 . 1 1 88 88 LYS HE3 H 1 1.128 0.050 . 2 . . . . 88 Lys HE3 . 17534 1 1061 . 1 1 88 88 LYS C C 13 174.376 0.200 . 1 . . . . 88 Lys C . 17534 1 1062 . 1 1 88 88 LYS CA C 13 55.780 0.200 . 1 . . . . 88 Lys CA . 17534 1 1063 . 1 1 88 88 LYS CB C 13 33.895 0.200 . 1 . . . . 88 Lys CB . 17534 1 1064 . 1 1 88 88 LYS CG C 13 24.741 0.200 . 1 . . . . 88 Lys CG . 17534 1 1065 . 1 1 88 88 LYS CD C 13 28.773 0.200 . 1 . . . . 88 Lys CD . 17534 1 1066 . 1 1 88 88 LYS CE C 13 40.610 0.200 . 1 . . . . 88 Lys CE . 17534 1 1067 . 1 1 88 88 LYS N N 15 124.830 0.300 . 1 . . . . 88 Lys N . 17534 1 1068 . 1 1 89 89 LYS H H 1 9.521 0.050 . 1 . . . . 89 Lys H . 17534 1 1069 . 1 1 89 89 LYS HA H 1 4.922 0.050 . 1 . . . . 89 Lys HA . 17534 1 1070 . 1 1 89 89 LYS HB2 H 1 1.895 0.050 . 1 . . . . 89 Lys HB2 . 17534 1 1071 . 1 1 89 89 LYS HB3 H 1 1.895 0.050 . 1 . . . . 89 Lys HB3 . 17534 1 1072 . 1 1 89 89 LYS HG2 H 1 1.375 0.050 . 2 . . . . 89 Lys HG2 . 17534 1 1073 . 1 1 89 89 LYS HG3 H 1 1.469 0.050 . 2 . . . . 89 Lys HG3 . 17534 1 1074 . 1 1 89 89 LYS HD2 H 1 1.650 0.050 . 2 . . . . 89 Lys HD2 . 17534 1 1075 . 1 1 89 89 LYS HD3 H 1 1.574 0.050 . 2 . . . . 89 Lys HD3 . 17534 1 1076 . 1 1 89 89 LYS HE2 H 1 2.978 0.050 . 2 . . . . 89 Lys HE2 . 17534 1 1077 . 1 1 89 89 LYS HE3 H 1 2.862 0.050 . 2 . . . . 89 Lys HE3 . 17534 1 1078 . 1 1 89 89 LYS CA C 13 53.609 0.200 . 1 . . . . 89 Lys CA . 17534 1 1079 . 1 1 89 89 LYS CB C 13 32.238 0.200 . 1 . . . . 89 Lys CB . 17534 1 1080 . 1 1 89 89 LYS CG C 13 24.681 0.200 . 1 . . . . 89 Lys CG . 17534 1 1081 . 1 1 89 89 LYS CD C 13 29.100 0.200 . 1 . . . . 89 Lys CD . 17534 1 1082 . 1 1 89 89 LYS CE C 13 42.149 0.200 . 1 . . . . 89 Lys CE . 17534 1 1083 . 1 1 89 89 LYS N N 15 128.015 0.300 . 1 . . . . 89 Lys N . 17534 1 1084 . 1 1 90 90 PRO HA H 1 4.374 0.050 . 1 . . . . 90 Pro HA . 17534 1 1085 . 1 1 90 90 PRO HB2 H 1 1.917 0.050 . 2 . . . . 90 Pro HB2 . 17534 1 1086 . 1 1 90 90 PRO HB3 H 1 1.604 0.050 . 2 . . . . 90 Pro HB3 . 17534 1 1087 . 1 1 90 90 PRO HG2 H 1 2.126 0.050 . 1 . . . . 90 Pro HG2 . 17534 1 1088 . 1 1 90 90 PRO HG3 H 1 2.126 0.050 . 1 . . . . 90 Pro HG3 . 17534 1 1089 . 1 1 90 90 PRO HD2 H 1 4.096 0.050 . 2 . . . . 90 Pro HD2 . 17534 1 1090 . 1 1 90 90 PRO HD3 H 1 3.823 0.050 . 2 . . . . 90 Pro HD3 . 17534 1 1091 . 1 1 90 90 PRO C C 13 176.608 0.200 . 1 . . . . 90 Pro C . 17534 1 1092 . 1 1 90 90 PRO CA C 13 62.572 0.200 . 1 . . . . 90 Pro CA . 17534 1 1093 . 1 1 90 90 PRO CB C 13 32.672 0.200 . 1 . . . . 90 Pro CB . 17534 1 1094 . 1 1 90 90 PRO CG C 13 27.230 0.200 . 1 . . . . 90 Pro CG . 17534 1 1095 . 1 1 90 90 PRO CD C 13 51.100 0.200 . 1 . . . . 90 Pro CD . 17534 1 1096 . 1 1 91 91 LEU H H 1 8.932 0.050 . 1 . . . . 91 Leu H . 17534 1 1097 . 1 1 91 91 LEU HA H 1 4.363 0.050 . 1 . . . . 91 Leu HA . 17534 1 1098 . 1 1 91 91 LEU HB2 H 1 2.052 0.050 . 2 . . . . 91 Leu HB2 . 17534 1 1099 . 1 1 91 91 LEU HB3 H 1 1.585 0.050 . 2 . . . . 91 Leu HB3 . 17534 1 1100 . 1 1 91 91 LEU HG H 1 1.665 0.050 . 1 . . . . 91 Leu HG . 17534 1 1101 . 1 1 91 91 LEU HD11 H 1 1.029 0.050 . 1 . . . . 91 Leu HD11 . 17534 1 1102 . 1 1 91 91 LEU HD12 H 1 1.029 0.050 . 1 . . . . 91 Leu HD12 . 17534 1 1103 . 1 1 91 91 LEU HD13 H 1 1.029 0.050 . 1 . . . . 91 Leu HD13 . 17534 1 1104 . 1 1 91 91 LEU HD21 H 1 1.039 0.050 . 1 . . . . 91 Leu HD21 . 17534 1 1105 . 1 1 91 91 LEU HD22 H 1 1.039 0.050 . 1 . . . . 91 Leu HD22 . 17534 1 1106 . 1 1 91 91 LEU HD23 H 1 1.039 0.050 . 1 . . . . 91 Leu HD23 . 17534 1 1107 . 1 1 91 91 LEU C C 13 173.774 0.200 . 1 . . . . 91 Leu C . 17534 1 1108 . 1 1 91 91 LEU CA C 13 54.248 0.200 . 1 . . . . 91 Leu CA . 17534 1 1109 . 1 1 91 91 LEU CB C 13 43.146 0.200 . 1 . . . . 91 Leu CB . 17534 1 1110 . 1 1 91 91 LEU CG C 13 26.364 0.200 . 1 . . . . 91 Leu CG . 17534 1 1111 . 1 1 91 91 LEU CD1 C 13 28.183 0.200 . 1 . . . . 91 Leu CD1 . 17534 1 1112 . 1 1 91 91 LEU CD2 C 13 23.954 0.200 . 1 . . . . 91 Leu CD2 . 17534 1 1113 . 1 1 91 91 LEU N N 15 123.690 0.300 . 1 . . . . 91 Leu N . 17534 1 1114 . 1 1 92 92 ARG H H 1 8.185 0.050 . 1 . . . . 92 Arg H . 17534 1 1115 . 1 1 92 92 ARG HA H 1 4.713 0.050 . 1 . . . . 92 Arg HA . 17534 1 1116 . 1 1 92 92 ARG HB2 H 1 1.603 0.050 . 1 . . . . 92 Arg HB2 . 17534 1 1117 . 1 1 92 92 ARG HB3 H 1 1.603 0.050 . 1 . . . . 92 Arg HB3 . 17534 1 1118 . 1 1 92 92 ARG HG2 H 1 1.434 0.050 . 1 . . . . 92 Arg HG2 . 17534 1 1119 . 1 1 92 92 ARG HG3 H 1 1.434 0.050 . 1 . . . . 92 Arg HG3 . 17534 1 1120 . 1 1 92 92 ARG HD2 H 1 3.077 0.050 . 2 . . . . 92 Arg HD2 . 17534 1 1121 . 1 1 92 92 ARG HD3 H 1 2.997 0.050 . 2 . . . . 92 Arg HD3 . 17534 1 1122 . 1 1 92 92 ARG C C 13 175.213 0.200 . 1 . . . . 92 Arg C . 17534 1 1123 . 1 1 92 92 ARG CA C 13 55.134 0.200 . 1 . . . . 92 Arg CA . 17534 1 1124 . 1 1 92 92 ARG CB C 13 31.030 0.200 . 1 . . . . 92 Arg CB . 17534 1 1125 . 1 1 92 92 ARG CG C 13 27.680 0.200 . 1 . . . . 92 Arg CG . 17534 1 1126 . 1 1 92 92 ARG CD C 13 43.446 0.200 . 1 . . . . 92 Arg CD . 17534 1 1127 . 1 1 92 92 ARG N N 15 122.320 0.300 . 1 . . . . 92 Arg N . 17534 1 1128 . 1 1 93 93 TYR H H 1 9.064 0.050 . 1 . . . . 93 Tyr H . 17534 1 1129 . 1 1 93 93 TYR HA H 1 5.092 0.050 . 1 . . . . 93 Tyr HA . 17534 1 1130 . 1 1 93 93 TYR HB2 H 1 3.296 0.050 . 2 . . . . 93 Tyr HB2 . 17534 1 1131 . 1 1 93 93 TYR HB3 H 1 2.875 0.050 . 2 . . . . 93 Tyr HB3 . 17534 1 1132 . 1 1 93 93 TYR HD1 H 1 6.984 0.050 . 3 . . . . 93 Tyr HD1 . 17534 1 1133 . 1 1 93 93 TYR HD2 H 1 6.984 0.050 . 3 . . . . 93 Tyr HD2 . 17534 1 1134 . 1 1 93 93 TYR HE1 H 1 6.400 0.050 . 3 . . . . 93 Tyr HE1 . 17534 1 1135 . 1 1 93 93 TYR HE2 H 1 6.400 0.050 . 3 . . . . 93 Tyr HE2 . 17534 1 1136 . 1 1 93 93 TYR C C 13 177.083 0.200 . 1 . . . . 93 Tyr C . 17534 1 1137 . 1 1 93 93 TYR CA C 13 57.974 0.200 . 1 . . . . 93 Tyr CA . 17534 1 1138 . 1 1 93 93 TYR CB C 13 40.086 0.200 . 1 . . . . 93 Tyr CB . 17534 1 1139 . 1 1 93 93 TYR CD1 C 13 132.302 0.200 . 3 . . . . 93 Tyr CD1 . 17534 1 1140 . 1 1 93 93 TYR CD2 C 13 132.302 0.200 . 3 . . . . 93 Tyr CD2 . 17534 1 1141 . 1 1 93 93 TYR CE1 C 13 119.542 0.200 . 3 . . . . 93 Tyr CE1 . 17534 1 1142 . 1 1 93 93 TYR CE2 C 13 119.542 0.200 . 3 . . . . 93 Tyr CE2 . 17534 1 1143 . 1 1 93 93 TYR N N 15 127.147 0.300 . 1 . . . . 93 Tyr N . 17534 1 1144 . 1 1 94 94 GLY H H 1 9.275 0.050 . 1 . . . . 94 Gly H . 17534 1 1145 . 1 1 94 94 GLY HA2 H 1 3.773 0.050 . 2 . . . . 94 Gly HA2 . 17534 1 1146 . 1 1 94 94 GLY HA3 H 1 4.716 0.050 . 2 . . . . 94 Gly HA3 . 17534 1 1147 . 1 1 94 94 GLY C C 13 173.946 0.200 . 1 . . . . 94 Gly C . 17534 1 1148 . 1 1 94 94 GLY CA C 13 45.163 0.200 . 1 . . . . 94 Gly CA . 17534 1 1149 . 1 1 94 94 GLY N N 15 115.960 0.300 . 1 . . . . 94 Gly N . 17534 1 1150 . 1 1 95 95 LYS H H 1 8.947 0.050 . 1 . . . . 95 Lys H . 17534 1 1151 . 1 1 95 95 LYS HA H 1 4.304 0.050 . 1 . . . . 95 Lys HA . 17534 1 1152 . 1 1 95 95 LYS HB2 H 1 1.902 0.050 . 2 . . . . 95 Lys HB2 . 17534 1 1153 . 1 1 95 95 LYS HB3 H 1 1.575 0.050 . 2 . . . . 95 Lys HB3 . 17534 1 1154 . 1 1 95 95 LYS HG2 H 1 1.713 0.050 . 2 . . . . 95 Lys HG2 . 17534 1 1155 . 1 1 95 95 LYS HG3 H 1 1.475 0.050 . 2 . . . . 95 Lys HG3 . 17534 1 1156 . 1 1 95 95 LYS HD2 H 1 1.707 0.050 . 1 . . . . 95 Lys HD2 . 17534 1 1157 . 1 1 95 95 LYS HD3 H 1 1.707 0.050 . 1 . . . . 95 Lys HD3 . 17534 1 1158 . 1 1 95 95 LYS HE2 H 1 3.065 0.050 . 1 . . . . 95 Lys HE2 . 17534 1 1159 . 1 1 95 95 LYS HE3 H 1 3.065 0.050 . 1 . . . . 95 Lys HE3 . 17534 1 1160 . 1 1 95 95 LYS C C 13 172.442 0.200 . 1 . . . . 95 Lys C . 17534 1 1161 . 1 1 95 95 LYS CA C 13 57.330 0.200 . 1 . . . . 95 Lys CA . 17534 1 1162 . 1 1 95 95 LYS CB C 13 35.049 0.200 . 1 . . . . 95 Lys CB . 17534 1 1163 . 1 1 95 95 LYS CG C 13 26.613 0.200 . 1 . . . . 95 Lys CG . 17534 1 1164 . 1 1 95 95 LYS CD C 13 29.326 0.200 . 1 . . . . 95 Lys CD . 17534 1 1165 . 1 1 95 95 LYS CE C 13 42.129 0.200 . 1 . . . . 95 Lys CE . 17534 1 1166 . 1 1 95 95 LYS N N 15 128.643 0.300 . 1 . . . . 95 Lys N . 17534 1 1167 . 1 1 96 96 VAL H H 1 7.767 0.050 . 1 . . . . 96 Val H . 17534 1 1168 . 1 1 96 96 VAL HA H 1 4.720 0.050 . 1 . . . . 96 Val HA . 17534 1 1169 . 1 1 96 96 VAL HB H 1 0.785 0.050 . 1 . . . . 96 Val HB . 17534 1 1170 . 1 1 96 96 VAL HG11 H 1 -0.003 0.050 . 1 . . . . 96 Val HG11 . 17534 1 1171 . 1 1 96 96 VAL HG12 H 1 -0.003 0.050 . 1 . . . . 96 Val HG12 . 17534 1 1172 . 1 1 96 96 VAL HG13 H 1 -0.003 0.050 . 1 . . . . 96 Val HG13 . 17534 1 1173 . 1 1 96 96 VAL HG21 H 1 0.406 0.050 . 1 . . . . 96 Val HG21 . 17534 1 1174 . 1 1 96 96 VAL HG22 H 1 0.406 0.050 . 1 . . . . 96 Val HG22 . 17534 1 1175 . 1 1 96 96 VAL HG23 H 1 0.406 0.050 . 1 . . . . 96 Val HG23 . 17534 1 1176 . 1 1 96 96 VAL C C 13 173.860 0.200 . 1 . . . . 96 Val C . 17534 1 1177 . 1 1 96 96 VAL CA C 13 60.987 0.200 . 1 . . . . 96 Val CA . 17534 1 1178 . 1 1 96 96 VAL CB C 13 34.549 0.200 . 1 . . . . 96 Val CB . 17534 1 1179 . 1 1 96 96 VAL CG1 C 13 22.184 0.200 . 1 . . . . 96 Val CG1 . 17534 1 1180 . 1 1 96 96 VAL CG2 C 13 21.669 0.200 . 1 . . . . 96 Val CG2 . 17534 1 1181 . 1 1 96 96 VAL N N 15 117.590 0.300 . 1 . . . . 96 Val N . 17534 1 1182 . 1 1 97 97 TYR H H 1 9.662 0.050 . 1 . . . . 97 Tyr H . 17534 1 1183 . 1 1 97 97 TYR HA H 1 5.281 0.050 . 1 . . . . 97 Tyr HA . 17534 1 1184 . 1 1 97 97 TYR HB2 H 1 2.578 0.050 . 1 . . . . 97 Tyr HB2 . 17534 1 1185 . 1 1 97 97 TYR HB3 H 1 2.578 0.050 . 1 . . . . 97 Tyr HB3 . 17534 1 1186 . 1 1 97 97 TYR HD1 H 1 6.992 0.050 . 3 . . . . 97 Tyr HD1 . 17534 1 1187 . 1 1 97 97 TYR HD2 H 1 6.992 0.050 . 3 . . . . 97 Tyr HD2 . 17534 1 1188 . 1 1 97 97 TYR HE1 H 1 6.741 0.050 . 3 . . . . 97 Tyr HE1 . 17534 1 1189 . 1 1 97 97 TYR HE2 H 1 6.741 0.050 . 3 . . . . 97 Tyr HE2 . 17534 1 1190 . 1 1 97 97 TYR C C 13 175.728 0.200 . 1 . . . . 97 Tyr C . 17534 1 1191 . 1 1 97 97 TYR CA C 13 55.871 0.200 . 1 . . . . 97 Tyr CA . 17534 1 1192 . 1 1 97 97 TYR CB C 13 42.032 0.200 . 1 . . . . 97 Tyr CB . 17534 1 1193 . 1 1 97 97 TYR CD1 C 13 133.477 0.200 . 3 . . . . 97 Tyr CD1 . 17534 1 1194 . 1 1 97 97 TYR CD2 C 13 133.477 0.200 . 3 . . . . 97 Tyr CD2 . 17534 1 1195 . 1 1 97 97 TYR CE1 C 13 118.249 0.200 . 3 . . . . 97 Tyr CE1 . 17534 1 1196 . 1 1 97 97 TYR CE2 C 13 118.249 0.200 . 3 . . . . 97 Tyr CE2 . 17534 1 1197 . 1 1 97 97 TYR N N 15 125.232 0.300 . 1 . . . . 97 Tyr N . 17534 1 1198 . 1 1 98 98 SER H H 1 9.003 0.050 . 1 . . . . 98 Ser H . 17534 1 1199 . 1 1 98 98 SER HA H 1 4.947 0.050 . 1 . . . . 98 Ser HA . 17534 1 1200 . 1 1 98 98 SER HB2 H 1 4.288 0.050 . 2 . . . . 98 Ser HB2 . 17534 1 1201 . 1 1 98 98 SER HB3 H 1 4.015 0.050 . 2 . . . . 98 Ser HB3 . 17534 1 1202 . 1 1 98 98 SER C C 13 175.579 0.200 . 1 . . . . 98 Ser C . 17534 1 1203 . 1 1 98 98 SER CA C 13 57.236 0.200 . 1 . . . . 98 Ser CA . 17534 1 1204 . 1 1 98 98 SER CB C 13 65.003 0.200 . 1 . . . . 98 Ser CB . 17534 1 1205 . 1 1 98 98 SER N N 15 114.093 0.300 . 1 . . . . 98 Ser N . 17534 1 1206 . 1 1 99 99 THR H H 1 8.604 0.050 . 1 . . . . 99 Thr H . 17534 1 1207 . 1 1 99 99 THR HA H 1 4.444 0.050 . 1 . . . . 99 Thr HA . 17534 1 1208 . 1 1 99 99 THR HB H 1 4.459 0.050 . 1 . . . . 99 Thr HB . 17534 1 1209 . 1 1 99 99 THR HG21 H 1 1.126 0.050 . 1 . . . . 99 Thr HG21 . 17534 1 1210 . 1 1 99 99 THR HG22 H 1 1.126 0.050 . 1 . . . . 99 Thr HG22 . 17534 1 1211 . 1 1 99 99 THR HG23 H 1 1.126 0.050 . 1 . . . . 99 Thr HG23 . 17534 1 1212 . 1 1 99 99 THR C C 13 175.321 0.200 . 1 . . . . 99 Thr C . 17534 1 1213 . 1 1 99 99 THR CA C 13 61.774 0.200 . 1 . . . . 99 Thr CA . 17534 1 1214 . 1 1 99 99 THR CB C 13 69.368 0.200 . 1 . . . . 99 Thr CB . 17534 1 1215 . 1 1 99 99 THR CG2 C 13 21.860 0.200 . 1 . . . . 99 Thr CG2 . 17534 1 1216 . 1 1 99 99 THR N N 15 110.070 0.300 . 1 . . . . 99 Thr N . 17534 1 1217 . 1 1 100 100 ASN H H 1 8.388 0.050 . 1 . . . . 100 Asn H . 17534 1 1218 . 1 1 100 100 ASN HA H 1 4.692 0.050 . 1 . . . . 100 Asn HA . 17534 1 1219 . 1 1 100 100 ASN HB2 H 1 2.736 0.050 . 1 . . . . 100 Asn HB2 . 17534 1 1220 . 1 1 100 100 ASN HB3 H 1 2.736 0.050 . 1 . . . . 100 Asn HB3 . 17534 1 1221 . 1 1 100 100 ASN HD21 H 1 6.889 0.050 . 1 . . . . 100 Asn HD21 . 17534 1 1222 . 1 1 100 100 ASN HD22 H 1 7.621 0.050 . 1 . . . . 100 Asn HD22 . 17534 1 1223 . 1 1 100 100 ASN C C 13 175.323 0.200 . 1 . . . . 100 Asn C . 17534 1 1224 . 1 1 100 100 ASN CA C 13 53.409 0.200 . 1 . . . . 100 Asn CA . 17534 1 1225 . 1 1 100 100 ASN CB C 13 39.010 0.200 . 1 . . . . 100 Asn CB . 17534 1 1226 . 1 1 100 100 ASN N N 15 119.390 0.300 . 1 . . . . 100 Asn N . 17534 1 1227 . 1 1 100 100 ASN ND2 N 15 112.854 0.300 . 1 . . . . 100 Asn ND2 . 17534 1 1228 . 1 1 101 101 GLU H H 1 8.611 0.050 . 1 . . . . 101 Glu H . 17534 1 1229 . 1 1 101 101 GLU HA H 1 4.165 0.050 . 1 . . . . 101 Glu HA . 17534 1 1230 . 1 1 101 101 GLU HB2 H 1 2.080 0.050 . 2 . . . . 101 Glu HB2 . 17534 1 1231 . 1 1 101 101 GLU HB3 H 1 1.955 0.050 . 2 . . . . 101 Glu HB3 . 17534 1 1232 . 1 1 101 101 GLU HG2 H 1 2.255 0.050 . 1 . . . . 101 Glu HG2 . 17534 1 1233 . 1 1 101 101 GLU HG3 H 1 2.255 0.050 . 1 . . . . 101 Glu HG3 . 17534 1 1234 . 1 1 101 101 GLU C C 13 176.009 0.200 . 1 . . . . 101 Glu C . 17534 1 1235 . 1 1 101 101 GLU CA C 13 57.761 0.200 . 1 . . . . 101 Glu CA . 17534 1 1236 . 1 1 101 101 GLU CB C 13 29.871 0.200 . 1 . . . . 101 Glu CB . 17534 1 1237 . 1 1 101 101 GLU CG C 13 36.125 0.200 . 1 . . . . 101 Glu CG . 17534 1 1238 . 1 1 101 101 GLU N N 15 120.756 0.300 . 1 . . . . 101 Glu N . 17534 1 1239 . 1 1 102 102 ASP H H 1 8.303 0.050 . 1 . . . . 102 Asp H . 17534 1 1240 . 1 1 102 102 ASP HA H 1 4.684 0.050 . 1 . . . . 102 Asp HA . 17534 1 1241 . 1 1 102 102 ASP HB2 H 1 2.811 0.050 . 2 . . . . 102 Asp HB2 . 17534 1 1242 . 1 1 102 102 ASP HB3 H 1 2.615 0.050 . 2 . . . . 102 Asp HB3 . 17534 1 1243 . 1 1 102 102 ASP C C 13 176.138 0.200 . 1 . . . . 102 Asp C . 17534 1 1244 . 1 1 102 102 ASP CA C 13 54.293 0.200 . 1 . . . . 102 Asp CA . 17534 1 1245 . 1 1 102 102 ASP CB C 13 41.047 0.200 . 1 . . . . 102 Asp CB . 17534 1 1246 . 1 1 102 102 ASP N N 15 119.341 0.300 . 1 . . . . 102 Asp N . 17534 1 1247 . 1 1 103 103 SER H H 1 8.047 0.050 . 1 . . . . 103 Ser H . 17534 1 1248 . 1 1 103 103 SER HA H 1 4.509 0.050 . 1 . . . . 103 Ser HA . 17534 1 1249 . 1 1 103 103 SER HB2 H 1 3.967 0.050 . 1 . . . . 103 Ser HB2 . 17534 1 1250 . 1 1 103 103 SER HB3 H 1 3.967 0.050 . 1 . . . . 103 Ser HB3 . 17534 1 1251 . 1 1 103 103 SER C C 13 174.462 0.200 . 1 . . . . 103 Ser C . 17534 1 1252 . 1 1 103 103 SER CA C 13 58.156 0.200 . 1 . . . . 103 Ser CA . 17534 1 1253 . 1 1 103 103 SER CB C 13 64.375 0.200 . 1 . . . . 103 Ser CB . 17534 1 1254 . 1 1 103 103 SER N N 15 115.614 0.300 . 1 . . . . 103 Ser N . 17534 1 1255 . 1 1 104 104 ASP H H 1 8.517 0.050 . 1 . . . . 104 Asp H . 17534 1 1256 . 1 1 104 104 ASP HA H 1 4.744 0.050 . 1 . . . . 104 Asp HA . 17534 1 1257 . 1 1 104 104 ASP HB2 H 1 2.759 0.050 . 2 . . . . 104 Asp HB2 . 17534 1 1258 . 1 1 104 104 ASP HB3 H 1 2.759 0.050 . 2 . . . . 104 Asp HB3 . 17534 1 1259 . 1 1 104 104 ASP C C 13 175.837 0.200 . 1 . . . . 104 Asp C . 17534 1 1260 . 1 1 104 104 ASP CA C 13 54.179 0.200 . 1 . . . . 104 Asp CA . 17534 1 1261 . 1 1 104 104 ASP CB C 13 41.400 0.200 . 1 . . . . 104 Asp CB . 17534 1 1262 . 1 1 104 104 ASP N N 15 123.021 0.300 . 1 . . . . 104 Asp N . 17534 1 1263 . 1 1 105 105 ALA H H 1 8.049 0.050 . 1 . . . . 105 Ala H . 17534 1 1264 . 1 1 105 105 ALA HA H 1 4.368 0.050 . 1 . . . . 105 Ala HA . 17534 1 1265 . 1 1 105 105 ALA HB1 H 1 1.477 0.050 . 1 . . . . 105 Ala HB1 . 17534 1 1266 . 1 1 105 105 ALA HB2 H 1 1.477 0.050 . 1 . . . . 105 Ala HB2 . 17534 1 1267 . 1 1 105 105 ALA HB3 H 1 1.477 0.050 . 1 . . . . 105 Ala HB3 . 17534 1 1268 . 1 1 105 105 ALA C C 13 177.772 0.200 . 1 . . . . 105 Ala C . 17534 1 1269 . 1 1 105 105 ALA CA C 13 52.748 0.200 . 1 . . . . 105 Ala CA . 17534 1 1270 . 1 1 105 105 ALA CB C 13 19.433 0.200 . 1 . . . . 105 Ala CB . 17534 1 1271 . 1 1 105 105 ALA N N 15 124.036 0.300 . 1 . . . . 105 Ala N . 17534 1 1272 . 1 1 106 106 LYS H H 1 8.590 0.050 . 1 . . . . 106 Lys H . 17534 1 1273 . 1 1 106 106 LYS HA H 1 4.522 0.050 . 1 . . . . 106 Lys HA . 17534 1 1274 . 1 1 106 106 LYS HB2 H 1 1.935 0.050 . 2 . . . . 106 Lys HB2 . 17534 1 1275 . 1 1 106 106 LYS HB3 H 1 1.800 0.050 . 2 . . . . 106 Lys HB3 . 17534 1 1276 . 1 1 106 106 LYS HG2 H 1 1.435 0.050 . 1 . . . . 106 Lys HG2 . 17534 1 1277 . 1 1 106 106 LYS HG3 H 1 1.435 0.050 . 1 . . . . 106 Lys HG3 . 17534 1 1278 . 1 1 106 106 LYS HD2 H 1 1.777 0.050 . 1 . . . . 106 Lys HD2 . 17534 1 1279 . 1 1 106 106 LYS HD3 H 1 1.777 0.050 . 1 . . . . 106 Lys HD3 . 17534 1 1280 . 1 1 106 106 LYS HE2 H 1 3.065 0.050 . 1 . . . . 106 Lys HE2 . 17534 1 1281 . 1 1 106 106 LYS HE3 H 1 3.065 0.050 . 1 . . . . 106 Lys HE3 . 17534 1 1282 . 1 1 106 106 LYS C C 13 176.396 0.200 . 1 . . . . 106 Lys C . 17534 1 1283 . 1 1 106 106 LYS CA C 13 55.744 0.200 . 1 . . . . 106 Lys CA . 17534 1 1284 . 1 1 106 106 LYS CB C 13 32.828 0.200 . 1 . . . . 106 Lys CB . 17534 1 1285 . 1 1 106 106 LYS CG C 13 24.591 0.200 . 1 . . . . 106 Lys CG . 17534 1 1286 . 1 1 106 106 LYS CD C 13 29.323 0.200 . 1 . . . . 106 Lys CD . 17534 1 1287 . 1 1 106 106 LYS CE C 13 42.156 0.200 . 1 . . . . 106 Lys CE . 17534 1 1288 . 1 1 106 106 LYS N N 15 118.842 0.300 . 1 . . . . 106 Lys N . 17534 1 1289 . 1 1 107 107 ASP H H 1 8.499 0.050 . 1 . . . . 107 Asp H . 17534 1 1290 . 1 1 107 107 ASP HA H 1 4.581 0.050 . 1 . . . . 107 Asp HA . 17534 1 1291 . 1 1 107 107 ASP HB2 H 1 2.797 0.050 . 1 . . . . 107 Asp HB2 . 17534 1 1292 . 1 1 107 107 ASP HB3 H 1 2.797 0.050 . 1 . . . . 107 Asp HB3 . 17534 1 1293 . 1 1 107 107 ASP C C 13 175.366 0.200 . 1 . . . . 107 Asp C . 17534 1 1294 . 1 1 107 107 ASP CA C 13 55.925 0.200 . 1 . . . . 107 Asp CA . 17534 1 1295 . 1 1 107 107 ASP CB C 13 40.700 0.200 . 1 . . . . 107 Asp CB . 17534 1 1296 . 1 1 107 107 ASP N N 15 120.043 0.300 . 1 . . . . 107 Asp N . 17534 1 1297 . 1 1 108 108 GLU H H 1 7.724 0.050 . 1 . . . . 108 Glu H . 17534 1 1298 . 1 1 108 108 GLU HA H 1 5.436 0.050 . 1 . . . . 108 Glu HA . 17534 1 1299 . 1 1 108 108 GLU HB2 H 1 2.054 0.050 . 2 . . . . 108 Glu HB2 . 17534 1 1300 . 1 1 108 108 GLU HB3 H 1 2.054 0.050 . 2 . . . . 108 Glu HB3 . 17534 1 1301 . 1 1 108 108 GLU HG2 H 1 2.244 0.050 . 1 . . . . 108 Glu HG2 . 17534 1 1302 . 1 1 108 108 GLU HG3 H 1 2.243 0.050 . 1 . . . . 108 Glu HG3 . 17534 1 1303 . 1 1 108 108 GLU C C 13 174.849 0.200 . 1 . . . . 108 Glu C . 17534 1 1304 . 1 1 108 108 GLU CA C 13 55.048 0.200 . 1 . . . . 108 Glu CA . 17534 1 1305 . 1 1 108 108 GLU CB C 13 33.229 0.200 . 1 . . . . 108 Glu CB . 17534 1 1306 . 1 1 108 108 GLU CG C 13 36.828 0.200 . 1 . . . . 108 Glu CG . 17534 1 1307 . 1 1 108 108 GLU N N 15 117.614 0.300 . 1 . . . . 108 Glu N . 17534 1 1308 . 1 1 109 109 ILE H H 1 8.743 0.050 . 1 . . . . 109 Ile H . 17534 1 1309 . 1 1 109 109 ILE HA H 1 4.804 0.050 . 1 . . . . 109 Ile HA . 17534 1 1310 . 1 1 109 109 ILE HB H 1 1.682 0.050 . 1 . . . . 109 Ile HB . 17534 1 1311 . 1 1 109 109 ILE HG12 H 1 0.785 0.050 . 2 . . . . 109 Ile HG12 . 17534 1 1312 . 1 1 109 109 ILE HG13 H 1 0.521 0.050 . 2 . . . . 109 Ile HG13 . 17534 1 1313 . 1 1 109 109 ILE HG21 H 1 0.591 0.050 . 1 . . . . 109 Ile HG21 . 17534 1 1314 . 1 1 109 109 ILE HG22 H 1 0.591 0.050 . 1 . . . . 109 Ile HG22 . 17534 1 1315 . 1 1 109 109 ILE HG23 H 1 0.591 0.050 . 1 . . . . 109 Ile HG23 . 17534 1 1316 . 1 1 109 109 ILE HD11 H 1 -0.542 0.050 . 1 . . . . 109 Ile HD11 . 17534 1 1317 . 1 1 109 109 ILE HD12 H 1 -0.542 0.050 . 1 . . . . 109 Ile HD12 . 17534 1 1318 . 1 1 109 109 ILE HD13 H 1 -0.542 0.050 . 1 . . . . 109 Ile HD13 . 17534 1 1319 . 1 1 109 109 ILE C C 13 173.473 0.200 . 1 . . . . 109 Ile C . 17534 1 1320 . 1 1 109 109 ILE CA C 13 59.917 0.200 . 1 . . . . 109 Ile CA . 17534 1 1321 . 1 1 109 109 ILE CB C 13 42.353 0.200 . 1 . . . . 109 Ile CB . 17534 1 1322 . 1 1 109 109 ILE CG1 C 13 25.458 0.200 . 1 . . . . 109 Ile CG1 . 17534 1 1323 . 1 1 109 109 ILE CG2 C 13 17.454 0.200 . 1 . . . . 109 Ile CG2 . 17534 1 1324 . 1 1 109 109 ILE CD1 C 13 11.009 0.200 . 1 . . . . 109 Ile CD1 . 17534 1 1325 . 1 1 109 109 ILE N N 15 115.997 0.300 . 1 . . . . 109 Ile N . 17534 1 1326 . 1 1 110 110 ILE H H 1 9.059 0.050 . 1 . . . . 110 Ile H . 17534 1 1327 . 1 1 110 110 ILE HA H 1 5.276 0.050 . 1 . . . . 110 Ile HA . 17534 1 1328 . 1 1 110 110 ILE HB H 1 1.717 0.050 . 1 . . . . 110 Ile HB . 17534 1 1329 . 1 1 110 110 ILE HG12 H 1 1.397 0.050 . 2 . . . . 110 Ile HG12 . 17534 1 1330 . 1 1 110 110 ILE HG13 H 1 1.111 0.050 . 2 . . . . 110 Ile HG13 . 17534 1 1331 . 1 1 110 110 ILE HG21 H 1 0.829 0.050 . 1 . . . . 110 Ile HG21 . 17534 1 1332 . 1 1 110 110 ILE HG22 H 1 0.829 0.050 . 1 . . . . 110 Ile HG22 . 17534 1 1333 . 1 1 110 110 ILE HG23 H 1 0.829 0.050 . 1 . . . . 110 Ile HG23 . 17534 1 1334 . 1 1 110 110 ILE HD11 H 1 0.745 0.050 . 1 . . . . 110 Ile HD11 . 17534 1 1335 . 1 1 110 110 ILE HD12 H 1 0.745 0.050 . 1 . . . . 110 Ile HD12 . 17534 1 1336 . 1 1 110 110 ILE HD13 H 1 0.745 0.050 . 1 . . . . 110 Ile HD13 . 17534 1 1337 . 1 1 110 110 ILE C C 13 175.150 0.200 . 1 . . . . 110 Ile C . 17534 1 1338 . 1 1 110 110 ILE CA C 13 58.601 0.200 . 1 . . . . 110 Ile CA . 17534 1 1339 . 1 1 110 110 ILE CB C 13 39.320 0.200 . 1 . . . . 110 Ile CB . 17534 1 1340 . 1 1 110 110 ILE CG1 C 13 27.080 0.200 . 1 . . . . 110 Ile CG1 . 17534 1 1341 . 1 1 110 110 ILE CG2 C 13 17.370 0.200 . 1 . . . . 110 Ile CG2 . 17534 1 1342 . 1 1 110 110 ILE CD1 C 13 12.732 0.200 . 1 . . . . 110 Ile CD1 . 17534 1 1343 . 1 1 110 110 ILE N N 15 119.890 0.300 . 1 . . . . 110 Ile N . 17534 1 1344 . 1 1 111 111 VAL H H 1 9.486 0.050 . 1 . . . . 111 Val H . 17534 1 1345 . 1 1 111 111 VAL HA H 1 4.678 0.050 . 1 . . . . 111 Val HA . 17534 1 1346 . 1 1 111 111 VAL HB H 1 1.815 0.050 . 1 . . . . 111 Val HB . 17534 1 1347 . 1 1 111 111 VAL HG11 H 1 0.703 0.050 . 1 . . . . 111 Val HG11 . 17534 1 1348 . 1 1 111 111 VAL HG12 H 1 0.703 0.050 . 1 . . . . 111 Val HG12 . 17534 1 1349 . 1 1 111 111 VAL HG13 H 1 0.703 0.050 . 1 . . . . 111 Val HG13 . 17534 1 1350 . 1 1 111 111 VAL HG21 H 1 0.875 0.050 . 1 . . . . 111 Val HG21 . 17534 1 1351 . 1 1 111 111 VAL HG22 H 1 0.875 0.050 . 1 . . . . 111 Val HG22 . 17534 1 1352 . 1 1 111 111 VAL HG23 H 1 0.875 0.050 . 1 . . . . 111 Val HG23 . 17534 1 1353 . 1 1 111 111 VAL C C 13 174.633 0.200 . 1 . . . . 111 Val C . 17534 1 1354 . 1 1 111 111 VAL CA C 13 60.707 0.200 . 1 . . . . 111 Val CA . 17534 1 1355 . 1 1 111 111 VAL CB C 13 35.938 0.200 . 1 . . . . 111 Val CB . 17534 1 1356 . 1 1 111 111 VAL CG1 C 13 21.884 0.200 . 1 . . . . 111 Val CG1 . 17534 1 1357 . 1 1 111 111 VAL CG2 C 13 20.977 0.200 . 1 . . . . 111 Val CG2 . 17534 1 1358 . 1 1 111 111 VAL N N 15 125.973 0.300 . 1 . . . . 111 Val N . 17534 1 1359 . 1 1 112 112 GLU H H 1 8.354 0.050 . 1 . . . . 112 Glu H . 17534 1 1360 . 1 1 112 112 GLU HA H 1 4.796 0.050 . 1 . . . . 112 Glu HA . 17534 1 1361 . 1 1 112 112 GLU HB2 H 1 2.563 0.050 . 2 . . . . 112 Glu HB2 . 17534 1 1362 . 1 1 112 112 GLU HB3 H 1 1.998 0.050 . 2 . . . . 112 Glu HB3 . 17534 1 1363 . 1 1 112 112 GLU HG2 H 1 2.099 0.050 . 2 . . . . 112 Glu HG2 . 17534 1 1364 . 1 1 112 112 GLU HG3 H 1 1.832 0.050 . 2 . . . . 112 Glu HG3 . 17534 1 1365 . 1 1 112 112 GLU C C 13 174.633 0.200 . 1 . . . . 112 Glu C . 17534 1 1366 . 1 1 112 112 GLU CA C 13 55.088 0.200 . 1 . . . . 112 Glu CA . 17534 1 1367 . 1 1 112 112 GLU CB C 13 31.503 0.200 . 1 . . . . 112 Glu CB . 17534 1 1368 . 1 1 112 112 GLU CG C 13 35.412 0.200 . 1 . . . . 112 Glu CG . 17534 1 1369 . 1 1 112 112 GLU N N 15 127.784 0.300 . 1 . . . . 112 Glu N . 17534 1 1370 . 1 1 113 113 PHE H H 1 9.404 0.050 . 1 . . . . 113 Phe H . 17534 1 1371 . 1 1 113 113 PHE HA H 1 5.430 0.050 . 1 . . . . 113 Phe HA . 17534 1 1372 . 1 1 113 113 PHE HB2 H 1 2.838 0.050 . 2 . . . . 113 Phe HB2 . 17534 1 1373 . 1 1 113 113 PHE HB3 H 1 2.679 0.050 . 2 . . . . 113 Phe HB3 . 17534 1 1374 . 1 1 113 113 PHE HD1 H 1 6.304 0.050 . 3 . . . . 113 Phe HD1 . 17534 1 1375 . 1 1 113 113 PHE HD2 H 1 6.304 0.050 . 3 . . . . 113 Phe HD2 . 17534 1 1376 . 1 1 113 113 PHE HE1 H 1 6.744 0.050 . 3 . . . . 113 Phe HE1 . 17534 1 1377 . 1 1 113 113 PHE HE2 H 1 6.744 0.050 . 3 . . . . 113 Phe HE2 . 17534 1 1378 . 1 1 113 113 PHE HZ H 1 7.023 0.050 . 1 . . . . 113 Phe HZ . 17534 1 1379 . 1 1 113 113 PHE C C 13 174.979 0.200 . 1 . . . . 113 Phe C . 17534 1 1380 . 1 1 113 113 PHE CA C 13 54.831 0.200 . 1 . . . . 113 Phe CA . 17534 1 1381 . 1 1 113 113 PHE CB C 13 40.344 0.200 . 1 . . . . 113 Phe CB . 17534 1 1382 . 1 1 113 113 PHE CD1 C 13 130.750 0.200 . 3 . . . . 113 Phe CD1 . 17534 1 1383 . 1 1 113 113 PHE CD2 C 13 130.750 0.200 . 3 . . . . 113 Phe CD2 . 17534 1 1384 . 1 1 113 113 PHE CE1 C 13 130.743 0.200 . 3 . . . . 113 Phe CE1 . 17534 1 1385 . 1 1 113 113 PHE CE2 C 13 130.743 0.200 . 3 . . . . 113 Phe CE2 . 17534 1 1386 . 1 1 113 113 PHE CZ C 13 128.992 0.200 . 1 . . . . 113 Phe CZ . 17534 1 1387 . 1 1 113 113 PHE N N 15 129.690 0.300 . 1 . . . . 113 Phe N . 17534 1 1388 . 1 1 114 114 ASN H H 1 9.410 0.050 . 1 . . . . 114 Asn H . 17534 1 1389 . 1 1 114 114 ASN HA H 1 4.097 0.050 . 1 . . . . 114 Asn HA . 17534 1 1390 . 1 1 114 114 ASN HB2 H 1 2.749 0.050 . 2 . . . . 114 Asn HB2 . 17534 1 1391 . 1 1 114 114 ASN HB3 H 1 1.944 0.050 . 2 . . . . 114 Asn HB3 . 17534 1 1392 . 1 1 114 114 ASN HD21 H 1 6.640 0.050 . 1 . . . . 114 Asn HD21 . 17534 1 1393 . 1 1 114 114 ASN HD22 H 1 7.183 0.050 . 1 . . . . 114 Asn HD22 . 17534 1 1394 . 1 1 114 114 ASN C C 13 173.905 0.200 . 1 . . . . 114 Asn C . 17534 1 1395 . 1 1 114 114 ASN CA C 13 53.879 0.200 . 1 . . . . 114 Asn CA . 17534 1 1396 . 1 1 114 114 ASN CB C 13 36.094 0.200 . 1 . . . . 114 Asn CB . 17534 1 1397 . 1 1 114 114 ASN N N 15 129.780 0.300 . 1 . . . . 114 Asn N . 17534 1 1398 . 1 1 114 114 ASN ND2 N 15 111.468 0.300 . 1 . . . . 114 Asn ND2 . 17534 1 1399 . 1 1 115 115 ARG H H 1 8.897 0.050 . 1 . . . . 115 Arg H . 17534 1 1400 . 1 1 115 115 ARG HA H 1 3.645 0.050 . 1 . . . . 115 Arg HA . 17534 1 1401 . 1 1 115 115 ARG HB2 H 1 2.038 0.050 . 1 . . . . 115 Arg HB2 . 17534 1 1402 . 1 1 115 115 ARG HB3 H 1 2.038 0.050 . 1 . . . . 115 Arg HB3 . 17534 1 1403 . 1 1 115 115 ARG HG2 H 1 1.468 0.050 . 1 . . . . 115 Arg HG2 . 17534 1 1404 . 1 1 115 115 ARG HG3 H 1 1.468 0.050 . 1 . . . . 115 Arg HG3 . 17534 1 1405 . 1 1 115 115 ARG HD2 H 1 3.130 0.050 . 1 . . . . 115 Arg HD2 . 17534 1 1406 . 1 1 115 115 ARG HD3 H 1 3.130 0.050 . 1 . . . . 115 Arg HD3 . 17534 1 1407 . 1 1 115 115 ARG C C 13 174.332 0.200 . 1 . . . . 115 Arg C . 17534 1 1408 . 1 1 115 115 ARG CA C 13 57.670 0.200 . 1 . . . . 115 Arg CA . 17534 1 1409 . 1 1 115 115 ARG CB C 13 27.495 0.200 . 1 . . . . 115 Arg CB . 17534 1 1410 . 1 1 115 115 ARG CG C 13 28.100 0.200 . 1 . . . . 115 Arg CG . 17534 1 1411 . 1 1 115 115 ARG CD C 13 43.170 0.200 . 1 . . . . 115 Arg CD . 17534 1 1412 . 1 1 115 115 ARG N N 15 107.935 0.300 . 1 . . . . 115 Arg N . 17534 1 1413 . 1 1 116 116 GLU H H 1 7.633 0.050 . 1 . . . . 116 Glu H . 17534 1 1414 . 1 1 116 116 GLU HA H 1 4.356 0.050 . 1 . . . . 116 Glu HA . 17534 1 1415 . 1 1 116 116 GLU HB2 H 1 1.942 0.050 . 1 . . . . 116 Glu HB2 . 17534 1 1416 . 1 1 116 116 GLU HB3 H 1 1.942 0.050 . 1 . . . . 116 Glu HB3 . 17534 1 1417 . 1 1 116 116 GLU HG2 H 1 2.260 0.050 . 2 . . . . 116 Glu HG2 . 17534 1 1418 . 1 1 116 116 GLU HG3 H 1 2.099 0.050 . 2 . . . . 116 Glu HG3 . 17534 1 1419 . 1 1 116 116 GLU C C 13 172.615 0.200 . 1 . . . . 116 Glu C . 17534 1 1420 . 1 1 116 116 GLU CA C 13 54.402 0.200 . 1 . . . . 116 Glu CA . 17534 1 1421 . 1 1 116 116 GLU CB C 13 33.340 0.200 . 1 . . . . 116 Glu CB . 17534 1 1422 . 1 1 116 116 GLU CG C 13 37.933 0.200 . 1 . . . . 116 Glu CG . 17534 1 1423 . 1 1 116 116 GLU N N 15 119.376 0.300 . 1 . . . . 116 Glu N . 17534 1 1424 . 1 1 117 117 TYR H H 1 8.735 0.050 . 1 . . . . 117 Tyr H . 17534 1 1425 . 1 1 117 117 TYR HA H 1 5.131 0.050 . 1 . . . . 117 Tyr HA . 17534 1 1426 . 1 1 117 117 TYR HB2 H 1 2.713 0.050 . 2 . . . . 117 Tyr HB2 . 17534 1 1427 . 1 1 117 117 TYR HB3 H 1 2.295 0.050 . 2 . . . . 117 Tyr HB3 . 17534 1 1428 . 1 1 117 117 TYR HD1 H 1 6.804 0.050 . 3 . . . . 117 Tyr HD1 . 17534 1 1429 . 1 1 117 117 TYR HD2 H 1 6.804 0.050 . 3 . . . . 117 Tyr HD2 . 17534 1 1430 . 1 1 117 117 TYR C C 13 174.591 0.200 . 1 . . . . 117 Tyr C . 17534 1 1431 . 1 1 117 117 TYR CA C 13 57.769 0.200 . 1 . . . . 117 Tyr CA . 17534 1 1432 . 1 1 117 117 TYR CB C 13 39.741 0.200 . 1 . . . . 117 Tyr CB . 17534 1 1433 . 1 1 117 117 TYR CD1 C 13 132.109 0.200 . 3 . . . . 117 Tyr CD1 . 17534 1 1434 . 1 1 117 117 TYR CD2 C 13 132.109 0.200 . 3 . . . . 117 Tyr CD2 . 17534 1 1435 . 1 1 117 117 TYR N N 15 118.855 0.300 . 1 . . . . 117 Tyr N . 17534 1 1436 . 1 1 118 118 TYR H H 1 9.042 0.050 . 1 . . . . 118 Tyr H . 17534 1 1437 . 1 1 118 118 TYR HA H 1 5.164 0.050 . 1 . . . . 118 Tyr HA . 17534 1 1438 . 1 1 118 118 TYR HB2 H 1 2.649 0.050 . 1 . . . . 118 Tyr HB2 . 17534 1 1439 . 1 1 118 118 TYR HB3 H 1 2.649 0.050 . 1 . . . . 118 Tyr HB3 . 17534 1 1440 . 1 1 118 118 TYR HD1 H 1 7.155 0.050 . 3 . . . . 118 Tyr HD1 . 17534 1 1441 . 1 1 118 118 TYR HD2 H 1 7.155 0.050 . 3 . . . . 118 Tyr HD2 . 17534 1 1442 . 1 1 118 118 TYR HE1 H 1 7.007 0.050 . 3 . . . . 118 Tyr HE1 . 17534 1 1443 . 1 1 118 118 TYR HE2 H 1 7.007 0.050 . 3 . . . . 118 Tyr HE2 . 17534 1 1444 . 1 1 118 118 TYR C C 13 176.010 0.200 . 1 . . . . 118 Tyr C . 17534 1 1445 . 1 1 118 118 TYR CA C 13 56.455 0.200 . 1 . . . . 118 Tyr CA . 17534 1 1446 . 1 1 118 118 TYR CB C 13 42.250 0.200 . 1 . . . . 118 Tyr CB . 17534 1 1447 . 1 1 118 118 TYR CD1 C 13 133.282 0.200 . 3 . . . . 118 Tyr CD1 . 17534 1 1448 . 1 1 118 118 TYR CD2 C 13 133.282 0.200 . 3 . . . . 118 Tyr CD2 . 17534 1 1449 . 1 1 118 118 TYR CE1 C 13 118.234 0.200 . 3 . . . . 118 Tyr CE1 . 17534 1 1450 . 1 1 118 118 TYR CE2 C 13 118.234 0.200 . 3 . . . . 118 Tyr CE2 . 17534 1 1451 . 1 1 118 118 TYR N N 15 119.610 0.300 . 1 . . . . 118 Tyr N . 17534 1 1452 . 1 1 119 119 ARG H H 1 8.870 0.050 . 1 . . . . 119 Arg H . 17534 1 1453 . 1 1 119 119 ARG HA H 1 4.691 0.050 . 1 . . . . 119 Arg HA . 17534 1 1454 . 1 1 119 119 ARG HB2 H 1 1.810 0.050 . 2 . . . . 119 Arg HB2 . 17534 1 1455 . 1 1 119 119 ARG HB3 H 1 1.584 0.050 . 2 . . . . 119 Arg HB3 . 17534 1 1456 . 1 1 119 119 ARG HG2 H 1 1.360 0.050 . 1 . . . . 119 Arg HG2 . 17534 1 1457 . 1 1 119 119 ARG HG3 H 1 1.360 0.050 . 1 . . . . 119 Arg HG3 . 17534 1 1458 . 1 1 119 119 ARG HD2 H 1 3.202 0.050 . 2 . . . . 119 Arg HD2 . 17534 1 1459 . 1 1 119 119 ARG HD3 H 1 3.267 0.050 . 2 . . . . 119 Arg HD3 . 17534 1 1460 . 1 1 119 119 ARG HE H 1 8.197 0.050 . 1 . . . . 119 Arg HE . 17534 1 1461 . 1 1 119 119 ARG C C 13 173.991 0.200 . 1 . . . . 119 Arg C . 17534 1 1462 . 1 1 119 119 ARG CA C 13 56.455 0.200 . 1 . . . . 119 Arg CA . 17534 1 1463 . 1 1 119 119 ARG CB C 13 31.379 0.200 . 1 . . . . 119 Arg CB . 17534 1 1464 . 1 1 119 119 ARG CG C 13 28.062 0.200 . 1 . . . . 119 Arg CG . 17534 1 1465 . 1 1 119 119 ARG CD C 13 43.080 0.200 . 1 . . . . 119 Arg CD . 17534 1 1466 . 1 1 119 119 ARG N N 15 123.962 0.300 . 1 . . . . 119 Arg N . 17534 1 1467 . 1 1 119 119 ARG NE N 15 111.899 0.300 . 1 . . . . 119 Arg NE . 17534 1 1468 . 1 1 120 120 ALA H H 1 9.540 0.050 . 1 . . . . 120 Ala H . 17534 1 1469 . 1 1 120 120 ALA HA H 1 5.549 0.050 . 1 . . . . 120 Ala HA . 17534 1 1470 . 1 1 120 120 ALA HB1 H 1 1.046 0.050 . 1 . . . . 120 Ala HB1 . 17534 1 1471 . 1 1 120 120 ALA HB2 H 1 1.046 0.050 . 1 . . . . 120 Ala HB2 . 17534 1 1472 . 1 1 120 120 ALA HB3 H 1 1.046 0.050 . 1 . . . . 120 Ala HB3 . 17534 1 1473 . 1 1 120 120 ALA C C 13 175.471 0.200 . 1 . . . . 120 Ala C . 17534 1 1474 . 1 1 120 120 ALA CA C 13 50.233 0.200 . 1 . . . . 120 Ala CA . 17534 1 1475 . 1 1 120 120 ALA CB C 13 22.313 0.200 . 1 . . . . 120 Ala CB . 17534 1 1476 . 1 1 120 120 ALA N N 15 130.481 0.300 . 1 . . . . 120 Ala N . 17534 1 1477 . 1 1 121 121 VAL H H 1 8.534 0.050 . 1 . . . . 121 Val H . 17534 1 1478 . 1 1 121 121 VAL HA H 1 5.180 0.050 . 1 . . . . 121 Val HA . 17534 1 1479 . 1 1 121 121 VAL HB H 1 2.208 0.050 . 1 . . . . 121 Val HB . 17534 1 1480 . 1 1 121 121 VAL HG11 H 1 1.028 0.050 . 1 . . . . 121 Val HG11 . 17534 1 1481 . 1 1 121 121 VAL HG12 H 1 1.028 0.050 . 1 . . . . 121 Val HG12 . 17534 1 1482 . 1 1 121 121 VAL HG13 H 1 1.028 0.050 . 1 . . . . 121 Val HG13 . 17534 1 1483 . 1 1 121 121 VAL HG21 H 1 1.075 0.050 . 1 . . . . 121 Val HG21 . 17534 1 1484 . 1 1 121 121 VAL HG22 H 1 1.075 0.050 . 1 . . . . 121 Val HG22 . 17534 1 1485 . 1 1 121 121 VAL HG23 H 1 1.075 0.050 . 1 . . . . 121 Val HG23 . 17534 1 1486 . 1 1 121 121 VAL C C 13 175.536 0.200 . 1 . . . . 121 Val C . 17534 1 1487 . 1 1 121 121 VAL CA C 13 59.501 0.200 . 1 . . . . 121 Val CA . 17534 1 1488 . 1 1 121 121 VAL CB C 13 35.149 0.200 . 1 . . . . 121 Val CB . 17534 1 1489 . 1 1 121 121 VAL CG1 C 13 20.493 0.200 . 1 . . . . 121 Val CG1 . 17534 1 1490 . 1 1 121 121 VAL CG2 C 13 21.585 0.200 . 1 . . . . 121 Val CG2 . 17534 1 1491 . 1 1 121 121 VAL N N 15 115.939 0.300 . 1 . . . . 121 Val N . 17534 1 1492 . 1 1 122 122 LEU H H 1 8.373 0.050 . 1 . . . . 122 Leu H . 17534 1 1493 . 1 1 122 122 LEU HA H 1 3.641 0.050 . 1 . . . . 122 Leu HA . 17534 1 1494 . 1 1 122 122 LEU HB2 H 1 1.497 0.050 . 1 . . . . 122 Leu HB2 . 17534 1 1495 . 1 1 122 122 LEU HB3 H 1 1.497 0.050 . 1 . . . . 122 Leu HB3 . 17534 1 1496 . 1 1 122 122 LEU HG H 1 1.327 0.050 . 1 . . . . 122 Leu HG . 17534 1 1497 . 1 1 122 122 LEU HD11 H 1 0.529 0.050 . 1 . . . . 122 Leu HD11 . 17534 1 1498 . 1 1 122 122 LEU HD12 H 1 0.529 0.050 . 1 . . . . 122 Leu HD12 . 17534 1 1499 . 1 1 122 122 LEU HD13 H 1 0.529 0.050 . 1 . . . . 122 Leu HD13 . 17534 1 1500 . 1 1 122 122 LEU HD21 H 1 0.626 0.050 . 1 . . . . 122 Leu HD21 . 17534 1 1501 . 1 1 122 122 LEU HD22 H 1 0.626 0.050 . 1 . . . . 122 Leu HD22 . 17534 1 1502 . 1 1 122 122 LEU HD23 H 1 0.626 0.050 . 1 . . . . 122 Leu HD23 . 17534 1 1503 . 1 1 122 122 LEU C C 13 177.471 0.200 . 1 . . . . 122 Leu C . 17534 1 1504 . 1 1 122 122 LEU CA C 13 55.921 0.200 . 1 . . . . 122 Leu CA . 17534 1 1505 . 1 1 122 122 LEU CB C 13 43.309 0.200 . 1 . . . . 122 Leu CB . 17534 1 1506 . 1 1 122 122 LEU CG C 13 26.745 0.200 . 1 . . . . 122 Leu CG . 17534 1 1507 . 1 1 122 122 LEU CD1 C 13 25.289 0.200 . 1 . . . . 122 Leu CD1 . 17534 1 1508 . 1 1 122 122 LEU CD2 C 13 24.734 0.200 . 1 . . . . 122 Leu CD2 . 17534 1 1509 . 1 1 122 122 LEU N N 15 128.194 0.300 . 1 . . . . 122 Leu N . 17534 1 1510 . 1 1 123 123 ILE H H 1 8.396 0.050 . 1 . . . . 123 Ile H . 17534 1 1511 . 1 1 123 123 ILE HA H 1 3.981 0.050 . 1 . . . . 123 Ile HA . 17534 1 1512 . 1 1 123 123 ILE HB H 1 1.575 0.050 . 1 . . . . 123 Ile HB . 17534 1 1513 . 1 1 123 123 ILE HG12 H 1 1.387 0.050 . 2 . . . . 123 Ile HG12 . 17534 1 1514 . 1 1 123 123 ILE HG13 H 1 0.963 0.050 . 2 . . . . 123 Ile HG13 . 17534 1 1515 . 1 1 123 123 ILE HG21 H 1 0.776 0.050 . 1 . . . . 123 Ile HG21 . 17534 1 1516 . 1 1 123 123 ILE HG22 H 1 0.776 0.050 . 1 . . . . 123 Ile HG22 . 17534 1 1517 . 1 1 123 123 ILE HG23 H 1 0.776 0.050 . 1 . . . . 123 Ile HG23 . 17534 1 1518 . 1 1 123 123 ILE HD11 H 1 0.569 0.050 . 1 . . . . 123 Ile HD11 . 17534 1 1519 . 1 1 123 123 ILE HD12 H 1 0.569 0.050 . 1 . . . . 123 Ile HD12 . 17534 1 1520 . 1 1 123 123 ILE HD13 H 1 0.569 0.050 . 1 . . . . 123 Ile HD13 . 17534 1 1521 . 1 1 123 123 ILE C C 13 176.313 0.200 . 1 . . . . 123 Ile C . 17534 1 1522 . 1 1 123 123 ILE CA C 13 62.365 0.200 . 1 . . . . 123 Ile CA . 17534 1 1523 . 1 1 123 123 ILE CB C 13 37.776 0.200 . 1 . . . . 123 Ile CB . 17534 1 1524 . 1 1 123 123 ILE CG1 C 13 28.227 0.200 . 1 . . . . 123 Ile CG1 . 17534 1 1525 . 1 1 123 123 ILE CG2 C 13 17.099 0.200 . 1 . . . . 123 Ile CG2 . 17534 1 1526 . 1 1 123 123 ILE CD1 C 13 12.860 0.200 . 1 . . . . 123 Ile CD1 . 17534 1 1527 . 1 1 123 123 ILE N N 15 127.116 0.300 . 1 . . . . 123 Ile N . 17534 1 1528 . 1 1 124 124 LYS H H 1 8.417 0.050 . 1 . . . . 124 Lys H . 17534 1 1529 . 1 1 124 124 LYS HA H 1 4.298 0.050 . 1 . . . . 124 Lys HA . 17534 1 1530 . 1 1 124 124 LYS HB2 H 1 1.868 0.050 . 2 . . . . 124 Lys HB2 . 17534 1 1531 . 1 1 124 124 LYS HB3 H 1 1.748 0.050 . 2 . . . . 124 Lys HB3 . 17534 1 1532 . 1 1 124 124 LYS HG2 H 1 1.312 0.050 . 1 . . . . 124 Lys HG2 . 17534 1 1533 . 1 1 124 124 LYS HG3 H 1 1.312 0.050 . 1 . . . . 124 Lys HG3 . 17534 1 1534 . 1 1 124 124 LYS HD2 H 1 1.673 0.050 . 1 . . . . 124 Lys HD2 . 17534 1 1535 . 1 1 124 124 LYS HD3 H 1 1.673 0.050 . 1 . . . . 124 Lys HD3 . 17534 1 1536 . 1 1 124 124 LYS HE2 H 1 2.978 0.050 . 1 . . . . 124 Lys HE2 . 17534 1 1537 . 1 1 124 124 LYS HE3 H 1 2.978 0.050 . 1 . . . . 124 Lys HE3 . 17534 1 1538 . 1 1 124 124 LYS C C 13 176.051 0.200 . 1 . . . . 124 Lys C . 17534 1 1539 . 1 1 124 124 LYS CA C 13 56.305 0.200 . 1 . . . . 124 Lys CA . 17534 1 1540 . 1 1 124 124 LYS CB C 13 33.159 0.200 . 1 . . . . 124 Lys CB . 17534 1 1541 . 1 1 124 124 LYS CG C 13 24.930 0.200 . 1 . . . . 124 Lys CG . 17534 1 1542 . 1 1 124 124 LYS CD C 13 29.116 0.200 . 1 . . . . 124 Lys CD . 17534 1 1543 . 1 1 124 124 LYS CE C 13 42.156 0.200 . 1 . . . . 124 Lys CE . 17534 1 1544 . 1 1 124 124 LYS N N 15 124.380 0.300 . 1 . . . . 124 Lys N . 17534 1 1545 . 1 1 125 125 ASN H H 1 8.200 0.050 . 1 . . . . 125 Asn H . 17534 1 1546 . 1 1 125 125 ASN HA H 1 4.728 0.050 . 1 . . . . 125 Asn HA . 17534 1 1547 . 1 1 125 125 ASN HB2 H 1 2.890 0.050 . 2 . . . . 125 Asn HB2 . 17534 1 1548 . 1 1 125 125 ASN HB3 H 1 2.736 0.050 . 2 . . . . 125 Asn HB3 . 17534 1 1549 . 1 1 125 125 ASN HD21 H 1 6.974 0.050 . 1 . . . . 125 Asn HD21 . 17534 1 1550 . 1 1 125 125 ASN HD22 H 1 7.703 0.050 . 1 . . . . 125 Asn HD22 . 17534 1 1551 . 1 1 125 125 ASN C C 13 175.235 0.200 . 1 . . . . 125 Asn C . 17534 1 1552 . 1 1 125 125 ASN CA C 13 53.018 0.200 . 1 . . . . 125 Asn CA . 17534 1 1553 . 1 1 125 125 ASN CB C 13 38.938 0.200 . 1 . . . . 125 Asn CB . 17534 1 1554 . 1 1 125 125 ASN N N 15 119.520 0.300 . 1 . . . . 125 Asn N . 17534 1 1555 . 1 1 125 125 ASN ND2 N 15 112.866 0.300 . 1 . . . . 125 Asn ND2 . 17534 1 1556 . 1 1 126 126 GLU H H 1 8.262 0.050 . 1 . . . . 126 Glu H . 17534 1 1557 . 1 1 126 126 GLU HA H 1 4.289 0.050 . 1 . . . . 126 Glu HA . 17534 1 1558 . 1 1 126 126 GLU HB2 H 1 2.067 0.050 . 2 . . . . 126 Glu HB2 . 17534 1 1559 . 1 1 126 126 GLU HB3 H 1 1.983 0.050 . 2 . . . . 126 Glu HB3 . 17534 1 1560 . 1 1 126 126 GLU HG2 H 1 2.290 0.050 . 2 . . . . 126 Glu HG2 . 17534 1 1561 . 1 1 126 126 GLU HG3 H 1 2.191 0.050 . 2 . . . . 126 Glu HG3 . 17534 1 1562 . 1 1 126 126 GLU C C 13 176.117 0.200 . 1 . . . . 126 Glu C . 17534 1 1563 . 1 1 126 126 GLU CA C 13 56.677 0.200 . 1 . . . . 126 Glu CA . 17534 1 1564 . 1 1 126 126 GLU CB C 13 30.389 0.200 . 1 . . . . 126 Glu CB . 17534 1 1565 . 1 1 126 126 GLU CG C 13 36.267 0.200 . 1 . . . . 126 Glu CG . 17534 1 1566 . 1 1 126 126 GLU N N 15 122.020 0.300 . 1 . . . . 126 Glu N . 17534 1 1567 . 1 1 127 127 LYS H H 1 8.322 0.050 . 1 . . . . 127 Lys H . 17534 1 1568 . 1 1 127 127 LYS HA H 1 4.337 0.050 . 1 . . . . 127 Lys HA . 17534 1 1569 . 1 1 127 127 LYS HB2 H 1 1.858 0.050 . 2 . . . . 127 Lys HB2 . 17534 1 1570 . 1 1 127 127 LYS HB3 H 1 1.751 0.050 . 2 . . . . 127 Lys HB3 . 17534 1 1571 . 1 1 127 127 LYS HG2 H 1 1.435 0.050 . 1 . . . . 127 Lys HG2 . 17534 1 1572 . 1 1 127 127 LYS HG3 H 1 1.435 0.050 . 1 . . . . 127 Lys HG3 . 17534 1 1573 . 1 1 127 127 LYS HD2 H 1 1.655 0.050 . 1 . . . . 127 Lys HD2 . 17534 1 1574 . 1 1 127 127 LYS HD3 H 1 1.655 0.050 . 1 . . . . 127 Lys HD3 . 17534 1 1575 . 1 1 127 127 LYS HE2 H 1 2.977 0.050 . 1 . . . . 127 Lys HE2 . 17534 1 1576 . 1 1 127 127 LYS HE3 H 1 2.977 0.050 . 1 . . . . 127 Lys HE3 . 17534 1 1577 . 1 1 127 127 LYS C C 13 175.623 0.200 . 1 . . . . 127 Lys C . 17534 1 1578 . 1 1 127 127 LYS CA C 13 56.130 0.200 . 1 . . . . 127 Lys CA . 17534 1 1579 . 1 1 127 127 LYS CB C 13 33.161 0.200 . 1 . . . . 127 Lys CB . 17534 1 1580 . 1 1 127 127 LYS CG C 13 24.535 0.200 . 1 . . . . 127 Lys CG . 17534 1 1581 . 1 1 127 127 LYS CD C 13 29.268 0.200 . 1 . . . . 127 Lys CD . 17534 1 1582 . 1 1 127 127 LYS CE C 13 42.183 0.200 . 1 . . . . 127 Lys CE . 17534 1 1583 . 1 1 127 127 LYS N N 15 122.694 0.300 . 1 . . . . 127 Lys N . 17534 1 1584 . 1 1 128 128 GLU H H 1 8.019 0.050 . 1 . . . . 128 Glu H . 17534 1 1585 . 1 1 128 128 GLU HA H 1 4.095 0.050 . 1 . . . . 128 Glu HA . 17534 1 1586 . 1 1 128 128 GLU HB2 H 1 1.877 0.050 . 1 . . . . 128 Glu HB2 . 17534 1 1587 . 1 1 128 128 GLU HB3 H 1 1.877 0.050 . 1 . . . . 128 Glu HB3 . 17534 1 1588 . 1 1 128 128 GLU HG2 H 1 2.193 0.050 . 1 . . . . 128 Glu HG2 . 17534 1 1589 . 1 1 128 128 GLU HG3 H 1 2.193 0.050 . 1 . . . . 128 Glu HG3 . 17534 1 1590 . 1 1 128 128 GLU C C 13 181.167 0.200 . 1 . . . . 128 Glu C . 17534 1 1591 . 1 1 128 128 GLU CA C 13 58.163 0.200 . 1 . . . . 128 Glu CA . 17534 1 1592 . 1 1 128 128 GLU CB C 13 31.138 0.200 . 1 . . . . 128 Glu CB . 17534 1 1593 . 1 1 128 128 GLU CG C 13 36.519 0.200 . 1 . . . . 128 Glu CG . 17534 1 1594 . 1 1 128 128 GLU N N 15 127.389 0.300 . 1 . . . . 128 Glu N . 17534 1 stop_ save_