data_6989 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 6989 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 'Solution Structure of Ribosomal Protein S24E from Thermoplasma acidophilum.' 'Structure analysis' ; This study were used to determine the structure of Ribosomal Protein S24E from Thermoplasma acidophilum. ; 6989 1 stop_ loop_ _Study_keyword.Study_ID _Study_keyword.Keyword _Study_keyword.Entry_ID _Study_keyword.Study_list_ID . 'NMR structure' 6989 1 . 'Ribosomal protein' 6989 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6989 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments for Ribosomal Protein S24E ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-02-15 _Entry.Accession_date 2006-02-15 _Entry.Last_release_date 2007-03-06 _Entry.Original_release_date 2007-03-06 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Byoung-Young Jeon . . . 6989 2 Enn-mi Hong . . . 6989 3 Jin-won Jung . . . 6989 4 Adelinda Yee . . . 6989 5 Arrowsmith 'Cheryl H' . . . 6989 6 Weontae Lee . . . 6989 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6989 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 404 6989 '15N chemical shifts' 92 6989 '1H chemical shifts' 603 6989 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 . . 2007-03-06 2006-02-15 original author . 6989 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 6989 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 10476961 _Citation.Full_citation . _Citation.Title 'Placement of protein and RNA structures into a 5 A-resolution map of the 50S ribosomal subunit.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Nature _Citation.Journal_name_full . _Citation.Journal_volume 400 _Citation.Journal_issue 6747 _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 841 _Citation.Page_last 847 _Citation.Year 1999 _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 N. Ban . . . 6989 1 2 P. Nissen . . . 6989 1 3 J. Hansen . . . 6989 1 4 M. Capel . . . 6989 1 5 Peter Moore B. . . 6989 1 6 T. Steitz A. . . 6989 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6989 _Assembly.ID 1 _Assembly.Name 'Ribosomal Protein S24E' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Ribosomal Protein S24E' 1 $Ribosomal_Protein . . no native no no . . . 6989 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Ribosomal_Protein _Entity.Sf_category entity _Entity.Sf_framecode Ribosomal_Protein _Entity.Entry_ID 6989 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Ribosomal Protein S24E' _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 ; MDLIIKEKRDNPILKRKEIK YVLKFDSSRTPSREEIKELI AKHEGVDKELVIVDNNKQLT GKHEIEGYTKIYADKPSAML YEPDYELIRNGLKQKEAK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 98 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 2015-01-28 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 2G1D . "Solution Structure Of Ribosomal Protein S24e From Thermoplasma Acidophilum" . . . . . 100.00 98 100.00 100.00 1.28e-61 . . . . 6989 1 2 no EMBL CAC12220 . "ribosomal protein S24 related protein [Thermoplasma acidophilum]" . . . . . 100.00 98 100.00 100.00 1.28e-61 . . . . 6989 1 3 no REF NP_394551 . "30S ribosomal protein S24e [Thermoplasma acidophilum DSM 1728]" . . . . . 100.00 98 100.00 100.00 1.28e-61 . . . . 6989 1 4 no REF WP_010901502 . "30S ribosomal protein S24 [Thermoplasma acidophilum]" . . . . . 100.00 98 100.00 100.00 1.28e-61 . . . . 6989 1 5 no SP Q9HJ79 . "RecName: Full=30S ribosomal protein S24e [Thermoplasma acidophilum DSM 1728]" . . . . . 100.00 98 100.00 100.00 1.28e-61 . . . . 6989 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Ribosomal protein' 6989 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Ribosomal Protein S24E' . 6989 1 stop_ loop_ _Entity_keyword.Keyword _Entity_keyword.Entry_ID _Entity_keyword.Entity_ID 'ribosomal protein S24E' 6989 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 6989 1 2 . ASP . 6989 1 3 . LEU . 6989 1 4 . ILE . 6989 1 5 . ILE . 6989 1 6 . LYS . 6989 1 7 . GLU . 6989 1 8 . LYS . 6989 1 9 . ARG . 6989 1 10 . ASP . 6989 1 11 . ASN . 6989 1 12 . PRO . 6989 1 13 . ILE . 6989 1 14 . LEU . 6989 1 15 . LYS . 6989 1 16 . ARG . 6989 1 17 . LYS . 6989 1 18 . GLU . 6989 1 19 . ILE . 6989 1 20 . LYS . 6989 1 21 . TYR . 6989 1 22 . VAL . 6989 1 23 . LEU . 6989 1 24 . LYS . 6989 1 25 . PHE . 6989 1 26 . ASP . 6989 1 27 . SER . 6989 1 28 . SER . 6989 1 29 . ARG . 6989 1 30 . THR . 6989 1 31 . PRO . 6989 1 32 . SER . 6989 1 33 . ARG . 6989 1 34 . GLU . 6989 1 35 . GLU . 6989 1 36 . ILE . 6989 1 37 . LYS . 6989 1 38 . GLU . 6989 1 39 . LEU . 6989 1 40 . ILE . 6989 1 41 . ALA . 6989 1 42 . LYS . 6989 1 43 . HIS . 6989 1 44 . GLU . 6989 1 45 . GLY . 6989 1 46 . VAL . 6989 1 47 . ASP . 6989 1 48 . LYS . 6989 1 49 . GLU . 6989 1 50 . LEU . 6989 1 51 . VAL . 6989 1 52 . ILE . 6989 1 53 . VAL . 6989 1 54 . ASP . 6989 1 55 . ASN . 6989 1 56 . ASN . 6989 1 57 . LYS . 6989 1 58 . GLN . 6989 1 59 . LEU . 6989 1 60 . THR . 6989 1 61 . GLY . 6989 1 62 . LYS . 6989 1 63 . HIS . 6989 1 64 . GLU . 6989 1 65 . ILE . 6989 1 66 . GLU . 6989 1 67 . GLY . 6989 1 68 . TYR . 6989 1 69 . THR . 6989 1 70 . LYS . 6989 1 71 . ILE . 6989 1 72 . TYR . 6989 1 73 . ALA . 6989 1 74 . ASP . 6989 1 75 . LYS . 6989 1 76 . PRO . 6989 1 77 . SER . 6989 1 78 . ALA . 6989 1 79 . MET . 6989 1 80 . LEU . 6989 1 81 . TYR . 6989 1 82 . GLU . 6989 1 83 . PRO . 6989 1 84 . ASP . 6989 1 85 . TYR . 6989 1 86 . GLU . 6989 1 87 . LEU . 6989 1 88 . ILE . 6989 1 89 . ARG . 6989 1 90 . ASN . 6989 1 91 . GLY . 6989 1 92 . LEU . 6989 1 93 . LYS . 6989 1 94 . GLN . 6989 1 95 . LYS . 6989 1 96 . GLU . 6989 1 97 . ALA . 6989 1 98 . LYS . 6989 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 6989 1 . ASP 2 2 6989 1 . LEU 3 3 6989 1 . ILE 4 4 6989 1 . ILE 5 5 6989 1 . LYS 6 6 6989 1 . GLU 7 7 6989 1 . LYS 8 8 6989 1 . ARG 9 9 6989 1 . ASP 10 10 6989 1 . ASN 11 11 6989 1 . PRO 12 12 6989 1 . ILE 13 13 6989 1 . LEU 14 14 6989 1 . LYS 15 15 6989 1 . ARG 16 16 6989 1 . LYS 17 17 6989 1 . GLU 18 18 6989 1 . ILE 19 19 6989 1 . LYS 20 20 6989 1 . TYR 21 21 6989 1 . VAL 22 22 6989 1 . LEU 23 23 6989 1 . LYS 24 24 6989 1 . PHE 25 25 6989 1 . ASP 26 26 6989 1 . SER 27 27 6989 1 . SER 28 28 6989 1 . ARG 29 29 6989 1 . THR 30 30 6989 1 . PRO 31 31 6989 1 . SER 32 32 6989 1 . ARG 33 33 6989 1 . GLU 34 34 6989 1 . GLU 35 35 6989 1 . ILE 36 36 6989 1 . LYS 37 37 6989 1 . GLU 38 38 6989 1 . LEU 39 39 6989 1 . ILE 40 40 6989 1 . ALA 41 41 6989 1 . LYS 42 42 6989 1 . HIS 43 43 6989 1 . GLU 44 44 6989 1 . GLY 45 45 6989 1 . VAL 46 46 6989 1 . ASP 47 47 6989 1 . LYS 48 48 6989 1 . GLU 49 49 6989 1 . LEU 50 50 6989 1 . VAL 51 51 6989 1 . ILE 52 52 6989 1 . VAL 53 53 6989 1 . ASP 54 54 6989 1 . ASN 55 55 6989 1 . ASN 56 56 6989 1 . LYS 57 57 6989 1 . GLN 58 58 6989 1 . LEU 59 59 6989 1 . THR 60 60 6989 1 . GLY 61 61 6989 1 . LYS 62 62 6989 1 . HIS 63 63 6989 1 . GLU 64 64 6989 1 . ILE 65 65 6989 1 . GLU 66 66 6989 1 . GLY 67 67 6989 1 . TYR 68 68 6989 1 . THR 69 69 6989 1 . LYS 70 70 6989 1 . ILE 71 71 6989 1 . TYR 72 72 6989 1 . ALA 73 73 6989 1 . ASP 74 74 6989 1 . LYS 75 75 6989 1 . PRO 76 76 6989 1 . SER 77 77 6989 1 . ALA 78 78 6989 1 . MET 79 79 6989 1 . LEU 80 80 6989 1 . TYR 81 81 6989 1 . GLU 82 82 6989 1 . PRO 83 83 6989 1 . ASP 84 84 6989 1 . TYR 85 85 6989 1 . GLU 86 86 6989 1 . LEU 87 87 6989 1 . ILE 88 88 6989 1 . ARG 89 89 6989 1 . ASN 90 90 6989 1 . GLY 91 91 6989 1 . LEU 92 92 6989 1 . LYS 93 93 6989 1 . GLN 94 94 6989 1 . LYS 95 95 6989 1 . GLU 96 96 6989 1 . ALA 97 97 6989 1 . LYS 98 98 6989 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 6989 _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 $Ribosomal_Protein . 2303 organism . . 'Thermoplasma acidophilum' 'Thermoplasma acidophilum' . Archaea . Thermoplasma acidophilum DSM1728 . . . . . . . . . . . . . . . . . . . . 6989 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 6989 _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 $Ribosomal_Protein . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6989 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6989 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Ribosomal Protein S24E' '[U-13C; U-15N]' . . 1 $Ribosomal_Protein . . 1.5 . . mM . . . . 6989 1 2 'photasuim phosphate' . . . . . . . 50 . . mM . . . . 6989 1 3 NaN3 . . . . . . . 0.1 . . mM . . . . 6989 1 4 H2O . . . . . . . 90 . . % . . . . 6989 1 5 D2O . . . . . . . 10 . . % . . . . 6989 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6989 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Ribosomal Protein S24E' [U-15N] . . 1 $Ribosomal_Protein . . 1.5 . . mM . . . . 6989 2 2 'photasuim phosphate' . . . . . . . 50 . . mM . . . . 6989 2 3 NaN3 . . . . . . . 0.1 . . mM . . . . 6989 2 4 H2O . . . . . . . 90 . . % . . . . 6989 2 5 D2O . . . . . . . 10 . . % . . . . 6989 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 6989 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Ribosomal Protein S24E' [U-13C] . . 1 $Ribosomal_Protein . . 1.5 . . mM . . . . 6989 3 2 'photasuim phosphate' . . . . . . . 50 . . mM . . . . 6989 3 3 NaN3 . . . . . . . 0.1 . . mM . . . . 6989 3 4 D2O . . . . . . . 100 . . % . . . . 6989 3 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6989 _Sample_condition_list.ID 1 _Sample_condition_list.Details '1.5mM 13C; 15N protein, 50 mM photasuim phosphate, and 0.1 mM NaN3 in 90% H2O and 10% 2H2O.' 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 pH 6.5 0.1 pH 6989 1 temperature 298 . K 6989 1 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 6989 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 6989 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 6989 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6989 _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 1H15N_HSQC no . . . . . . . . . . 2 $sample_2 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6989 1 2 HNCA no . . . . . . . . . . 2 $sample_2 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6989 1 3 HNCACB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 6989 1 4 CBCA(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 6989 1 5 H(CC)(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6989 1 6 HCCONH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 6989 1 7 3D_15N-edited_NOESY no . . . . . . . . . . 2 $sample_2 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6989 1 8 3D_13C-edited_NOESY no . . . . . . . . . . 3 $sample_3 . . . 1 $conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 6989 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6989 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $citation_1 . . 1 $citation_1 6989 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6989 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 . 1H15N_HSQC 1 $sample_1 isotropic 6989 1 . HNCA 2 $sample_2 isotropic 6989 1 . HNCACB 2 $sample_2 isotropic 6989 1 . CBCA(CO)NH 2 $sample_2 isotropic 6989 1 . H(CC)(CO)NH 3 $sample_3 isotropic 6989 1 . HCCONH 3 $sample_3 isotropic 6989 1 . 3D_15N-edited_NOESY 1 $sample_1 isotropic 6989 1 . 3D_13C-edited_NOESY 3 $sample_3 isotropic 6989 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET H H 1 8.158 0.022 . 1 . . . . 1 MET H . 6989 1 2 . 1 1 1 1 MET HA H 1 5.076 0.022 . 1 . . . . 1 MET HA . 6989 1 3 . 1 1 1 1 MET HB2 H 1 1.97 0.022 . 1 . . . . 1 MET HB2 . 6989 1 4 . 1 1 1 1 MET HB3 H 1 1.97 0.022 . 1 . . . . 1 MET HB3 . 6989 1 5 . 1 1 1 1 MET HG2 H 1 2.5 0.022 . 1 . . . . 1 MET HG2 . 6989 1 6 . 1 1 1 1 MET HG3 H 1 2.5 0.022 . 1 . . . . 1 MET HG3 . 6989 1 7 . 1 1 1 1 MET C C 13 174.082 0.055 . 1 . . . . 1 MET C . 6989 1 8 . 1 1 1 1 MET CA C 13 55.104 0.29 . 1 . . . . 1 MET CA . 6989 1 9 . 1 1 1 1 MET CB C 13 35.762 0.29 . 1 . . . . 1 MET CB . 6989 1 10 . 1 1 1 1 MET CG C 13 32.542 0.29 . 1 . . . . 1 MET CG . 6989 1 11 . 1 1 1 1 MET N N 15 121.802 0.12 . 1 . . . . 1 MET N . 6989 1 12 . 1 1 2 2 ASP H H 1 8.787 0.022 . 1 . . . . 2 ASP H . 6989 1 13 . 1 1 2 2 ASP HA H 1 4.954 0.022 . 1 . . . . 2 ASP HA . 6989 1 14 . 1 1 2 2 ASP HB2 H 1 2.682 0.022 . 1 . . . . 2 ASP HB2 . 6989 1 15 . 1 1 2 2 ASP HB3 H 1 2.506 0.022 . 1 . . . . 2 ASP HB3 . 6989 1 16 . 1 1 2 2 ASP C C 13 173.432 0.055 . 1 . . . . 2 ASP C . 6989 1 17 . 1 1 2 2 ASP CA C 13 53.812 0.29 . 1 . . . . 2 ASP CA . 6989 1 18 . 1 1 2 2 ASP CB C 13 43.999 0.29 . 1 . . . . 2 ASP CB . 6989 1 19 . 1 1 2 2 ASP N N 15 122.59 0.12 . 1 . . . . 2 ASP N . 6989 1 20 . 1 1 3 3 LEU H H 1 8.479 0.022 . 1 . . . . 3 LEU H . 6989 1 21 . 1 1 3 3 LEU HA H 1 4.973 0.022 . 1 . . . . 3 LEU HA . 6989 1 22 . 1 1 3 3 LEU HB2 H 1 1.68 0.022 . 1 . . . . 3 LEU HB2 . 6989 1 23 . 1 1 3 3 LEU HB3 H 1 1.122 0.022 . 1 . . . . 3 LEU HB3 . 6989 1 24 . 1 1 3 3 LEU HD11 H 1 0.426 0.022 . 1 . . . . 3 LEU HD1 . 6989 1 25 . 1 1 3 3 LEU HD12 H 1 0.426 0.022 . 1 . . . . 3 LEU HD1 . 6989 1 26 . 1 1 3 3 LEU HD13 H 1 0.426 0.022 . 1 . . . . 3 LEU HD1 . 6989 1 27 . 1 1 3 3 LEU HD21 H 1 0.594 0.022 . 1 . . . . 3 LEU HD2 . 6989 1 28 . 1 1 3 3 LEU HD22 H 1 0.594 0.022 . 1 . . . . 3 LEU HD2 . 6989 1 29 . 1 1 3 3 LEU HD23 H 1 0.594 0.022 . 1 . . . . 3 LEU HD2 . 6989 1 30 . 1 1 3 3 LEU C C 13 174.767 0.055 . 1 . . . . 3 LEU C . 6989 1 31 . 1 1 3 3 LEU CA C 13 53.922 0.29 . 1 . . . . 3 LEU CA . 6989 1 32 . 1 1 3 3 LEU CB C 13 44.374 0.29 . 1 . . . . 3 LEU CB . 6989 1 33 . 1 1 3 3 LEU CG C 13 27.381 0.29 . 1 . . . . 3 LEU CG . 6989 1 34 . 1 1 3 3 LEU CD1 C 13 26.209 0.29 . 1 . . . . 3 LEU CD1 . 6989 1 35 . 1 1 3 3 LEU CD2 C 13 24.354 0.29 . 1 . . . . 3 LEU CD2 . 6989 1 36 . 1 1 3 3 LEU N N 15 126.004 0.12 . 1 . . . . 3 LEU N . 6989 1 37 . 1 1 4 4 ILE H H 1 9.454 0.022 . 1 . . . . 4 ILE H . 6989 1 38 . 1 1 4 4 ILE HA H 1 4.256 0.022 . 1 . . . . 4 ILE HA . 6989 1 39 . 1 1 4 4 ILE HB H 1 1.908 0.022 . 1 . . . . 4 ILE HB . 6989 1 40 . 1 1 4 4 ILE HG12 H 1 1.423 0.022 . 1 . . . . 4 ILE HG12 . 6989 1 41 . 1 1 4 4 ILE HG13 H 1 1.145 0.022 . 1 . . . . 4 ILE HG13 . 6989 1 42 . 1 1 4 4 ILE HD11 H 1 0.823 0.022 . 1 . . . . 4 ILE HD1 . 6989 1 43 . 1 1 4 4 ILE HD12 H 1 0.823 0.022 . 1 . . . . 4 ILE HD1 . 6989 1 44 . 1 1 4 4 ILE HD13 H 1 0.823 0.022 . 1 . . . . 4 ILE HD1 . 6989 1 45 . 1 1 4 4 ILE C C 13 175.226 0.055 . 1 . . . . 4 ILE C . 6989 1 46 . 1 1 4 4 ILE CA C 13 60.294 0.29 . 1 . . . . 4 ILE CA . 6989 1 47 . 1 1 4 4 ILE CB C 13 40.731 0.29 . 1 . . . . 4 ILE CB . 6989 1 48 . 1 1 4 4 ILE CG1 C 13 27.697 0.29 . 1 . . . . 4 ILE CG1 . 6989 1 49 . 1 1 4 4 ILE CG2 C 13 17.846 0.29 . 1 . . . . 4 ILE CG2 . 6989 1 50 . 1 1 4 4 ILE CD1 C 13 13.598 0.29 . 1 . . . . 4 ILE CD1 . 6989 1 51 . 1 1 4 4 ILE N N 15 128.644 0.12 . 1 . . . . 4 ILE N . 6989 1 52 . 1 1 5 5 ILE H H 1 8.838 0.022 . 1 . . . . 5 ILE H . 6989 1 53 . 1 1 5 5 ILE HA H 1 4.166 0.022 . 1 . . . . 5 ILE HA . 6989 1 54 . 1 1 5 5 ILE HB H 1 2.111 0.022 . 1 . . . . 5 ILE HB . 6989 1 55 . 1 1 5 5 ILE HG12 H 1 1.392 0.022 . 1 . . . . 5 ILE HG12 . 6989 1 56 . 1 1 5 5 ILE HG13 H 1 1.151 0.022 . 1 . . . . 5 ILE HG13 . 6989 1 57 . 1 1 5 5 ILE HG21 H 1 0.84 0.022 . 1 . . . . 5 ILE HG2 . 6989 1 58 . 1 1 5 5 ILE HG22 H 1 0.84 0.022 . 1 . . . . 5 ILE HG2 . 6989 1 59 . 1 1 5 5 ILE HG23 H 1 0.84 0.022 . 1 . . . . 5 ILE HG2 . 6989 1 60 . 1 1 5 5 ILE HD11 H 1 0.538 0.022 . 1 . . . . 5 ILE HD1 . 6989 1 61 . 1 1 5 5 ILE HD12 H 1 0.538 0.022 . 1 . . . . 5 ILE HD1 . 6989 1 62 . 1 1 5 5 ILE HD13 H 1 0.538 0.022 . 1 . . . . 5 ILE HD1 . 6989 1 63 . 1 1 5 5 ILE C C 13 175.82 0.055 . 1 . . . . 5 ILE C . 6989 1 64 . 1 1 5 5 ILE CA C 13 59.751 0.29 . 1 . . . . 5 ILE CA . 6989 1 65 . 1 1 5 5 ILE CB C 13 35.352 0.29 . 1 . . . . 5 ILE CB . 6989 1 66 . 1 1 5 5 ILE CG1 C 13 27.001 0.29 . 1 . . . . 5 ILE CG1 . 6989 1 67 . 1 1 5 5 ILE CG2 C 13 17.774 0.29 . 1 . . . . 5 ILE CG2 . 6989 1 68 . 1 1 5 5 ILE CD1 C 13 10.065 0.29 . 1 . . . . 5 ILE CD1 . 6989 1 69 . 1 1 5 5 ILE N N 15 127.167 0.12 . 1 . . . . 5 ILE N . 6989 1 70 . 1 1 6 6 LYS H H 1 8.769 0.022 . 1 . . . . 6 LYS H . 6989 1 71 . 1 1 6 6 LYS HA H 1 4.307 0.022 . 1 . . . . 6 LYS HA . 6989 1 72 . 1 1 6 6 LYS HB2 H 1 1.794 0.022 . 1 . . . . 6 LYS HB2 . 6989 1 73 . 1 1 6 6 LYS HB3 H 1 1.763 0.022 . 1 . . . . 6 LYS HB3 . 6989 1 74 . 1 1 6 6 LYS HG2 H 1 1.38 0.022 . 1 . . . . 6 LYS HG2 . 6989 1 75 . 1 1 6 6 LYS HG3 H 1 1.361 0.022 . 1 . . . . 6 LYS HG3 . 6989 1 76 . 1 1 6 6 LYS C C 13 176.591 0.055 . 1 . . . . 6 LYS C . 6989 1 77 . 1 1 6 6 LYS CA C 13 56.907 0.29 . 1 . . . . 6 LYS CA . 6989 1 78 . 1 1 6 6 LYS CB C 13 33.225 0.29 . 1 . . . . 6 LYS CB . 6989 1 79 . 1 1 6 6 LYS CG C 13 24.691 0.29 . 1 . . . . 6 LYS CG . 6989 1 80 . 1 1 6 6 LYS CD C 13 28.407 0.29 . 1 . . . . 6 LYS CD . 6989 1 81 . 1 1 6 6 LYS CE C 13 41.555 0.29 . 1 . . . . 6 LYS CE . 6989 1 82 . 1 1 6 6 LYS N N 15 129.205 0.12 . 1 . . . . 6 LYS N . 6989 1 83 . 1 1 7 7 GLU H H 1 7.751 0.022 . 1 . . . . 7 GLU H . 6989 1 84 . 1 1 7 7 GLU HA H 1 4.545 0.022 . 1 . . . . 7 GLU HA . 6989 1 85 . 1 1 7 7 GLU HB2 H 1 2.002 0.022 . 1 . . . . 7 GLU HB2 . 6989 1 86 . 1 1 7 7 GLU HB3 H 1 2.002 0.022 . 1 . . . . 7 GLU HB3 . 6989 1 87 . 1 1 7 7 GLU HG2 H 1 2.194 0.022 . 1 . . . . 7 GLU HG2 . 6989 1 88 . 1 1 7 7 GLU HG3 H 1 2.194 0.022 . 1 . . . . 7 GLU HG3 . 6989 1 89 . 1 1 7 7 GLU C C 13 173.84 0.055 . 1 . . . . 7 GLU C . 6989 1 90 . 1 1 7 7 GLU CA C 13 55.815 0.29 . 1 . . . . 7 GLU CA . 6989 1 91 . 1 1 7 7 GLU CB C 13 34.092 0.29 . 1 . . . . 7 GLU CB . 6989 1 92 . 1 1 7 7 GLU CG C 13 36.783 0.29 . 1 . . . . 7 GLU CG . 6989 1 93 . 1 1 7 7 GLU N N 15 116.306 0.12 . 1 . . . . 7 GLU N . 6989 1 94 . 1 1 8 8 LYS H H 1 8.708 0.022 . 1 . . . . 8 LYS H . 6989 1 95 . 1 1 8 8 LYS HA H 1 4.94 0.022 . 1 . . . . 8 LYS HA . 6989 1 96 . 1 1 8 8 LYS HB2 H 1 1.766 0.022 . 1 . . . . 8 LYS HB2 . 6989 1 97 . 1 1 8 8 LYS HB3 H 1 1.766 0.022 . 1 . . . . 8 LYS HB3 . 6989 1 98 . 1 1 8 8 LYS HG2 H 1 1.208 0.022 . 1 . . . . 8 LYS HG2 . 6989 1 99 . 1 1 8 8 LYS HG3 H 1 1.208 0.022 . 1 . . . . 8 LYS HG3 . 6989 1 100 . 1 1 8 8 LYS HD2 H 1 1.568 0.022 . 1 . . . . 8 LYS HD2 . 6989 1 101 . 1 1 8 8 LYS HD3 H 1 1.568 0.022 . 1 . . . . 8 LYS HD3 . 6989 1 102 . 1 1 8 8 LYS C C 13 174.045 0.055 . 1 . . . . 8 LYS C . 6989 1 103 . 1 1 8 8 LYS CA C 13 55.911 0.29 . 1 . . . . 8 LYS CA . 6989 1 104 . 1 1 8 8 LYS CB C 13 34.831 0.29 . 1 . . . . 8 LYS CB . 6989 1 105 . 1 1 8 8 LYS CG C 13 24.624 0.29 . 1 . . . . 8 LYS CG . 6989 1 106 . 1 1 8 8 LYS CD C 13 29.869 0.29 . 1 . . . . 8 LYS CD . 6989 1 107 . 1 1 8 8 LYS CE C 13 41.561 0.29 . 1 . . . . 8 LYS CE . 6989 1 108 . 1 1 8 8 LYS N N 15 124.511 0.12 . 1 . . . . 8 LYS N . 6989 1 109 . 1 1 9 9 ARG H H 1 8.865 0.022 . 1 . . . . 9 ARG H . 6989 1 110 . 1 1 9 9 ARG HA H 1 4.768 0.022 . 1 . . . . 9 ARG HA . 6989 1 111 . 1 1 9 9 ARG HB2 H 1 2.395 0.022 . 1 . . . . 9 ARG HB2 . 6989 1 112 . 1 1 9 9 ARG HB3 H 1 1.884 0.022 . 1 . . . . 9 ARG HB3 . 6989 1 113 . 1 1 9 9 ARG HG2 H 1 1.609 0.022 . 1 . . . . 9 ARG HG2 . 6989 1 114 . 1 1 9 9 ARG HG3 H 1 1.609 0.022 . 1 . . . . 9 ARG HG3 . 6989 1 115 . 1 1 9 9 ARG HD2 H 1 2.995 0.022 . 1 . . . . 9 ARG HD2 . 6989 1 116 . 1 1 9 9 ARG HD3 H 1 2.995 0.022 . 1 . . . . 9 ARG HD3 . 6989 1 117 . 1 1 9 9 ARG C C 13 174.641 0.055 . 1 . . . . 9 ARG C . 6989 1 118 . 1 1 9 9 ARG CA C 13 54.627 0.29 . 1 . . . . 9 ARG CA . 6989 1 119 . 1 1 9 9 ARG CB C 13 33.643 0.29 . 1 . . . . 9 ARG CB . 6989 1 120 . 1 1 9 9 ARG CG C 13 27.514 0.29 . 1 . . . . 9 ARG CG . 6989 1 121 . 1 1 9 9 ARG CD C 13 43.421 0.29 . 1 . . . . 9 ARG CD . 6989 1 122 . 1 1 9 9 ARG N N 15 125.604 0.12 . 1 . . . . 9 ARG N . 6989 1 123 . 1 1 10 10 ASP H H 1 8.913 0.022 . 1 . . . . 10 ASP H . 6989 1 124 . 1 1 10 10 ASP HA H 1 4.761 0.022 . 1 . . . . 10 ASP HA . 6989 1 125 . 1 1 10 10 ASP HB2 H 1 2.561 0.022 . 1 . . . . 10 ASP HB2 . 6989 1 126 . 1 1 10 10 ASP HB3 H 1 2.561 0.022 . 1 . . . . 10 ASP HB3 . 6989 1 127 . 1 1 10 10 ASP C C 13 175.177 0.055 . 1 . . . . 10 ASP C . 6989 1 128 . 1 1 10 10 ASP CA C 13 54.826 0.29 . 1 . . . . 10 ASP CA . 6989 1 129 . 1 1 10 10 ASP CB C 13 42.837 0.29 . 1 . . . . 10 ASP CB . 6989 1 130 . 1 1 10 10 ASP N N 15 124.59 0.12 . 1 . . . . 10 ASP N . 6989 1 131 . 1 1 11 11 ASN H H 1 8.692 0.022 . 1 . . . . 11 ASN H . 6989 1 132 . 1 1 11 11 ASN HA H 1 5.186 0.022 . 1 . . . . 11 ASN HA . 6989 1 133 . 1 1 11 11 ASN HB2 H 1 3.214 0.022 . 1 . . . . 11 ASN HB2 . 6989 1 134 . 1 1 11 11 ASN HB3 H 1 2.267 0.022 . 1 . . . . 11 ASN HB3 . 6989 1 135 . 1 1 11 11 ASN CA C 13 49.542 0.29 . 1 . . . . 11 ASN CA . 6989 1 136 . 1 1 11 11 ASN CB C 13 38.524 0.29 . 1 . . . . 11 ASN CB . 6989 1 137 . 1 1 11 11 ASN N N 15 121.706 0.12 . 1 . . . . 11 ASN N . 6989 1 138 . 1 1 12 12 PRO C C 13 178.527 0.055 . 1 . . . . 12 PRO C . 6989 1 139 . 1 1 12 12 PRO CA C 13 64.134 0.29 . 1 . . . . 12 PRO CA . 6989 1 140 . 1 1 12 12 PRO CB C 13 32.082 0.29 . 1 . . . . 12 PRO CB . 6989 1 141 . 1 1 13 13 ILE H H 1 7.483 0.022 . 1 . . . . 13 ILE H . 6989 1 142 . 1 1 13 13 ILE HA H 1 3.895 0.022 . 1 . . . . 13 ILE HA . 6989 1 143 . 1 1 13 13 ILE HB H 1 1.975 0.022 . 1 . . . . 13 ILE HB . 6989 1 144 . 1 1 13 13 ILE HG12 H 1 1.556 0.022 . 1 . . . . 13 ILE HG12 . 6989 1 145 . 1 1 13 13 ILE HG13 H 1 1.556 0.022 . 1 . . . . 13 ILE HG13 . 6989 1 146 . 1 1 13 13 ILE HG21 H 1 1.303 0.022 . 1 . . . . 13 ILE HG2 . 6989 1 147 . 1 1 13 13 ILE HG22 H 1 1.303 0.022 . 1 . . . . 13 ILE HG2 . 6989 1 148 . 1 1 13 13 ILE HG23 H 1 1.303 0.022 . 1 . . . . 13 ILE HG2 . 6989 1 149 . 1 1 13 13 ILE HD11 H 1 0.882 0.022 . 1 . . . . 13 ILE HD1 . 6989 1 150 . 1 1 13 13 ILE HD12 H 1 0.882 0.022 . 1 . . . . 13 ILE HD1 . 6989 1 151 . 1 1 13 13 ILE HD13 H 1 0.882 0.022 . 1 . . . . 13 ILE HD1 . 6989 1 152 . 1 1 13 13 ILE C C 13 176.57 0.055 . 1 . . . . 13 ILE C . 6989 1 153 . 1 1 13 13 ILE CA C 13 63.513 0.29 . 1 . . . . 13 ILE CA . 6989 1 154 . 1 1 13 13 ILE CB C 13 37.257 0.29 . 1 . . . . 13 ILE CB . 6989 1 155 . 1 1 13 13 ILE CG1 C 13 28.449 0.29 . 1 . . . . 13 ILE CG1 . 6989 1 156 . 1 1 13 13 ILE CG2 C 13 17.374 0.29 . 1 . . . . 13 ILE CG2 . 6989 1 157 . 1 1 13 13 ILE CD1 C 13 11.651 0.29 . 1 . . . . 13 ILE CD1 . 6989 1 158 . 1 1 13 13 ILE N N 15 118.996 0.12 . 1 . . . . 13 ILE N . 6989 1 159 . 1 1 14 14 LEU H H 1 6.45 0.022 . 1 . . . . 14 LEU H . 6989 1 160 . 1 1 14 14 LEU HA H 1 3.983 0.022 . 1 . . . . 14 LEU HA . 6989 1 161 . 1 1 14 14 LEU HB2 H 1 1.391 0.022 . 4 . . . . 14 LEU HB2 . 6989 1 162 . 1 1 14 14 LEU HB3 H 1 0.929 0.022 . 4 . . . . 14 LEU HB3 . 6989 1 163 . 1 1 14 14 LEU HG H 1 1.175 0.022 . 1 . . . . 14 LEU HG . 6989 1 164 . 1 1 14 14 LEU HD11 H 1 0.706 0.022 . 2 . . . . 14 LEU HD1 . 6989 1 165 . 1 1 14 14 LEU HD12 H 1 0.706 0.022 . 2 . . . . 14 LEU HD1 . 6989 1 166 . 1 1 14 14 LEU HD13 H 1 0.706 0.022 . 2 . . . . 14 LEU HD1 . 6989 1 167 . 1 1 14 14 LEU HD21 H 1 0.706 0.022 . 2 . . . . 14 LEU HD2 . 6989 1 168 . 1 1 14 14 LEU HD22 H 1 0.706 0.022 . 2 . . . . 14 LEU HD2 . 6989 1 169 . 1 1 14 14 LEU HD23 H 1 0.706 0.022 . 2 . . . . 14 LEU HD2 . 6989 1 170 . 1 1 14 14 LEU C C 13 172.6 0.055 . 1 . . . . 14 LEU C . 6989 1 171 . 1 1 14 14 LEU CA C 13 53.211 0.29 . 1 . . . . 14 LEU CA . 6989 1 172 . 1 1 14 14 LEU CB C 13 40.559 0.29 . 1 . . . . 14 LEU CB . 6989 1 173 . 1 1 14 14 LEU CG C 13 27 0.29 . 1 . . . . 14 LEU CG . 6989 1 174 . 1 1 14 14 LEU CD1 C 13 25.19 0.29 . 1 . . . . 14 LEU CD1 . 6989 1 175 . 1 1 14 14 LEU CD2 C 13 21.894 0.29 . 1 . . . . 14 LEU CD2 . 6989 1 176 . 1 1 14 14 LEU N N 15 117.603 0.12 . 1 . . . . 14 LEU N . 6989 1 177 . 1 1 15 15 LYS H H 1 7.163 0.022 . 1 . . . . 15 LYS H . 6989 1 178 . 1 1 15 15 LYS HA H 1 3.764 0.022 . 1 . . . . 15 LYS HA . 6989 1 179 . 1 1 15 15 LYS HB2 H 1 2.384 0.022 . 1 . . . . 15 LYS HB2 . 6989 1 180 . 1 1 15 15 LYS HB3 H 1 2.021 0.022 . 1 . . . . 15 LYS HB3 . 6989 1 181 . 1 1 15 15 LYS HG2 H 1 1.617 0.022 . 1 . . . . 15 LYS HG2 . 6989 1 182 . 1 1 15 15 LYS HG3 H 1 1.415 0.022 . 1 . . . . 15 LYS HG3 . 6989 1 183 . 1 1 15 15 LYS HD2 H 1 1.808 0.022 . 1 . . . . 15 LYS HD2 . 6989 1 184 . 1 1 15 15 LYS HD3 H 1 1.808 0.022 . 1 . . . . 15 LYS HD3 . 6989 1 185 . 1 1 15 15 LYS C C 13 174.563 0.055 . 1 . . . . 15 LYS C . 6989 1 186 . 1 1 15 15 LYS CA C 13 56.175 0.29 . 1 . . . . 15 LYS CA . 6989 1 187 . 1 1 15 15 LYS CB C 13 29.274 0.29 . 1 . . . . 15 LYS CB . 6989 1 188 . 1 1 15 15 LYS CG C 13 25.03 0.29 . 1 . . . . 15 LYS CG . 6989 1 189 . 1 1 15 15 LYS CD C 13 27.144 0.29 . 1 . . . . 15 LYS CD . 6989 1 190 . 1 1 15 15 LYS CE C 13 42.579 0.29 . 1 . . . . 15 LYS CE . 6989 1 191 . 1 1 15 15 LYS N N 15 110.55 0.12 . 1 . . . . 15 LYS N . 6989 1 192 . 1 1 16 16 ARG H H 1 7.665 0.022 . 1 . . . . 16 ARG H . 6989 1 193 . 1 1 16 16 ARG HA H 1 5.199 0.022 . 1 . . . . 16 ARG HA . 6989 1 194 . 1 1 16 16 ARG HB2 H 1 1.93 0.022 . 1 . . . . 16 ARG HB2 . 6989 1 195 . 1 1 16 16 ARG HB3 H 1 1.93 0.022 . 1 . . . . 16 ARG HB3 . 6989 1 196 . 1 1 16 16 ARG C C 13 173.801 0.055 . 1 . . . . 16 ARG C . 6989 1 197 . 1 1 16 16 ARG CA C 13 53.189 0.29 . 1 . . . . 16 ARG CA . 6989 1 198 . 1 1 16 16 ARG CB C 13 32.506 0.29 . 1 . . . . 16 ARG CB . 6989 1 199 . 1 1 16 16 ARG N N 15 109.097 0.12 . 1 . . . . 16 ARG N . 6989 1 200 . 1 1 17 17 LYS H H 1 8.591 0.022 . 1 . . . . 17 LYS H . 6989 1 201 . 1 1 17 17 LYS HA H 1 5.017 0.022 . 1 . . . . 17 LYS HA . 6989 1 202 . 1 1 17 17 LYS HB2 H 1 1.593 0.022 . 1 . . . . 17 LYS HB2 . 6989 1 203 . 1 1 17 17 LYS HB3 H 1 1.593 0.022 . 1 . . . . 17 LYS HB3 . 6989 1 204 . 1 1 17 17 LYS HG2 H 1 1.527 0.022 . 1 . . . . 17 LYS HG2 . 6989 1 205 . 1 1 17 17 LYS HG3 H 1 1.527 0.022 . 1 . . . . 17 LYS HG3 . 6989 1 206 . 1 1 17 17 LYS HD2 H 1 1.837 0.022 . 1 . . . . 17 LYS HD2 . 6989 1 207 . 1 1 17 17 LYS HD3 H 1 1.837 0.022 . 1 . . . . 17 LYS HD3 . 6989 1 208 . 1 1 17 17 LYS HE2 H 1 2.809 0.022 . 1 . . . . 17 LYS HE2 . 6989 1 209 . 1 1 17 17 LYS HE3 H 1 2.809 0.022 . 1 . . . . 17 LYS HE3 . 6989 1 210 . 1 1 17 17 LYS C C 13 176.137 0.055 . 1 . . . . 17 LYS C . 6989 1 211 . 1 1 17 17 LYS CA C 13 53.983 0.29 . 1 . . . . 17 LYS CA . 6989 1 212 . 1 1 17 17 LYS CB C 13 34.823 0.29 . 1 . . . . 17 LYS CB . 6989 1 213 . 1 1 17 17 LYS CG C 13 24.987 0.29 . 1 . . . . 17 LYS CG . 6989 1 214 . 1 1 17 17 LYS CD C 13 29.068 0.29 . 1 . . . . 17 LYS CD . 6989 1 215 . 1 1 17 17 LYS CE C 13 42.038 0.29 . 1 . . . . 17 LYS CE . 6989 1 216 . 1 1 17 17 LYS N N 15 119.301 0.12 . 1 . . . . 17 LYS N . 6989 1 217 . 1 1 18 18 GLU H H 1 9.085 0.022 . 1 . . . . 18 GLU H . 6989 1 218 . 1 1 18 18 GLU HA H 1 4.759 0.022 . 1 . . . . 18 GLU HA . 6989 1 219 . 1 1 18 18 GLU HB2 H 1 2.083 0.022 . 1 . . . . 18 GLU HB2 . 6989 1 220 . 1 1 18 18 GLU HB3 H 1 2.083 0.022 . 1 . . . . 18 GLU HB3 . 6989 1 221 . 1 1 18 18 GLU HG2 H 1 2.148 0.022 . 1 . . . . 18 GLU HG2 . 6989 1 222 . 1 1 18 18 GLU HG3 H 1 2.148 0.022 . 1 . . . . 18 GLU HG3 . 6989 1 223 . 1 1 18 18 GLU C C 13 175.902 0.055 . 1 . . . . 18 GLU C . 6989 1 224 . 1 1 18 18 GLU CA C 13 55.231 0.29 . 1 . . . . 18 GLU CA . 6989 1 225 . 1 1 18 18 GLU CB C 13 30.411 0.29 . 1 . . . . 18 GLU CB . 6989 1 226 . 1 1 18 18 GLU CG C 13 36.331 0.29 . 1 . . . . 18 GLU CG . 6989 1 227 . 1 1 18 18 GLU N N 15 122.861 0.12 . 1 . . . . 18 GLU N . 6989 1 228 . 1 1 19 19 ILE H H 1 9.141 0.022 . 1 . . . . 19 ILE H . 6989 1 229 . 1 1 19 19 ILE HA H 1 5.204 0.022 . 1 . . . . 19 ILE HA . 6989 1 230 . 1 1 19 19 ILE HB H 1 1.796 0.022 . 1 . . . . 19 ILE HB . 6989 1 231 . 1 1 19 19 ILE HG21 H 1 0.975 0.022 . 4 . . . . 19 ILE HG2 . 6989 1 232 . 1 1 19 19 ILE HG22 H 1 0.975 0.022 . 4 . . . . 19 ILE HG2 . 6989 1 233 . 1 1 19 19 ILE HG23 H 1 0.975 0.022 . 4 . . . . 19 ILE HG2 . 6989 1 234 . 1 1 19 19 ILE HD11 H 1 0.959 0.022 . 4 . . . . 19 ILE HD1 . 6989 1 235 . 1 1 19 19 ILE HD12 H 1 0.959 0.022 . 4 . . . . 19 ILE HD1 . 6989 1 236 . 1 1 19 19 ILE HD13 H 1 0.959 0.022 . 4 . . . . 19 ILE HD1 . 6989 1 237 . 1 1 19 19 ILE C C 13 174.464 0.055 . 1 . . . . 19 ILE C . 6989 1 238 . 1 1 19 19 ILE CA C 13 59.496 0.29 . 1 . . . . 19 ILE CA . 6989 1 239 . 1 1 19 19 ILE CB C 13 42.75 0.29 . 1 . . . . 19 ILE CB . 6989 1 240 . 1 1 19 19 ILE CG1 C 13 28.321 0.29 . 1 . . . . 19 ILE CG1 . 6989 1 241 . 1 1 19 19 ILE CG2 C 13 18.09 0.29 . 1 . . . . 19 ILE CG2 . 6989 1 242 . 1 1 19 19 ILE CD1 C 13 14.284 0.29 . 1 . . . . 19 ILE CD1 . 6989 1 243 . 1 1 19 19 ILE N N 15 126.162 0.12 . 1 . . . . 19 ILE N . 6989 1 244 . 1 1 20 20 LYS H H 1 8.602 0.022 . 1 . . . . 20 LYS H . 6989 1 245 . 1 1 20 20 LYS HA H 1 5.18 0.022 . 1 . . . . 20 LYS HA . 6989 1 246 . 1 1 20 20 LYS HB2 H 1 1.815 0.022 . 1 . . . . 20 LYS HB2 . 6989 1 247 . 1 1 20 20 LYS HB3 H 1 1.815 0.022 . 1 . . . . 20 LYS HB3 . 6989 1 248 . 1 1 20 20 LYS HG2 H 1 1.166 0.022 . 1 . . . . 20 LYS HG2 . 6989 1 249 . 1 1 20 20 LYS HG3 H 1 1.166 0.022 . 1 . . . . 20 LYS HG3 . 6989 1 250 . 1 1 20 20 LYS HD2 H 1 1.646 0.022 . 1 . . . . 20 LYS HD2 . 6989 1 251 . 1 1 20 20 LYS HD3 H 1 1.646 0.022 . 1 . . . . 20 LYS HD3 . 6989 1 252 . 1 1 20 20 LYS C C 13 175.34 0.055 . 1 . . . . 20 LYS C . 6989 1 253 . 1 1 20 20 LYS CA C 13 54.848 0.29 . 1 . . . . 20 LYS CA . 6989 1 254 . 1 1 20 20 LYS CB C 13 34.897 0.29 . 1 . . . . 20 LYS CB . 6989 1 255 . 1 1 20 20 LYS CG C 13 25.343 0.29 . 1 . . . . 20 LYS CG . 6989 1 256 . 1 1 20 20 LYS CD C 13 29.419 0.29 . 1 . . . . 20 LYS CD . 6989 1 257 . 1 1 20 20 LYS CE C 13 41.987 0.29 . 1 . . . . 20 LYS CE . 6989 1 258 . 1 1 20 20 LYS N N 15 127.169 0.12 . 1 . . . . 20 LYS N . 6989 1 259 . 1 1 21 21 TYR H H 1 8.638 0.022 . 1 . . . . 21 TYR H . 6989 1 260 . 1 1 21 21 TYR HA H 1 5.66 0.022 . 1 . . . . 21 TYR HA . 6989 1 261 . 1 1 21 21 TYR HB2 H 1 2.976 0.022 . 1 . . . . 21 TYR HB2 . 6989 1 262 . 1 1 21 21 TYR HB3 H 1 2.398 0.022 . 1 . . . . 21 TYR HB3 . 6989 1 263 . 1 1 21 21 TYR HE1 H 1 6.478 0.022 . 1 . . . . 21 TYR HE1 . 6989 1 264 . 1 1 21 21 TYR HE2 H 1 6.478 0.022 . 1 . . . . 21 TYR HE2 . 6989 1 265 . 1 1 21 21 TYR C C 13 172.628 0.055 . 1 . . . . 21 TYR C . 6989 1 266 . 1 1 21 21 TYR CA C 13 55.194 0.29 . 1 . . . . 21 TYR CA . 6989 1 267 . 1 1 21 21 TYR CB C 13 42.878 0.29 . 1 . . . . 21 TYR CB . 6989 1 268 . 1 1 21 21 TYR N N 15 123.782 0.12 . 1 . . . . 21 TYR N . 6989 1 269 . 1 1 22 22 VAL H H 1 9.133 0.022 . 1 . . . . 22 VAL H . 6989 1 270 . 1 1 22 22 VAL HA H 1 4.962 0.022 . 1 . . . . 22 VAL HA . 6989 1 271 . 1 1 22 22 VAL HB H 1 1.897 0.022 . 1 . . . . 22 VAL HB . 6989 1 272 . 1 1 22 22 VAL HG11 H 1 0.934 0.022 . 2 . . . . 22 VAL HG1 . 6989 1 273 . 1 1 22 22 VAL HG12 H 1 0.934 0.022 . 2 . . . . 22 VAL HG1 . 6989 1 274 . 1 1 22 22 VAL HG13 H 1 0.934 0.022 . 2 . . . . 22 VAL HG1 . 6989 1 275 . 1 1 22 22 VAL HG21 H 1 0.934 0.022 . 2 . . . . 22 VAL HG2 . 6989 1 276 . 1 1 22 22 VAL HG22 H 1 0.934 0.022 . 2 . . . . 22 VAL HG2 . 6989 1 277 . 1 1 22 22 VAL HG23 H 1 0.934 0.022 . 2 . . . . 22 VAL HG2 . 6989 1 278 . 1 1 22 22 VAL C C 13 173.768 0.055 . 1 . . . . 22 VAL C . 6989 1 279 . 1 1 22 22 VAL CA C 13 61.156 0.29 . 1 . . . . 22 VAL CA . 6989 1 280 . 1 1 22 22 VAL CB C 13 35.514 0.29 . 1 . . . . 22 VAL CB . 6989 1 281 . 1 1 22 22 VAL CG1 C 13 21.575 0.29 . 1 . . . . 22 VAL CG1 . 6989 1 282 . 1 1 22 22 VAL N N 15 120.044 0.12 . 1 . . . . 22 VAL N . 6989 1 283 . 1 1 23 23 LEU H H 1 9.627 0.022 . 1 . . . . 23 LEU H . 6989 1 284 . 1 1 23 23 LEU HA H 1 5.509 0.022 . 1 . . . . 23 LEU HA . 6989 1 285 . 1 1 23 23 LEU HB2 H 1 2.08 0.022 . 1 . . . . 23 LEU HB2 . 6989 1 286 . 1 1 23 23 LEU HB3 H 1 1.39 0.022 . 1 . . . . 23 LEU HB3 . 6989 1 287 . 1 1 23 23 LEU HG H 1 1.636 0.022 . 1 . . . . 23 LEU HG . 6989 1 288 . 1 1 23 23 LEU HD11 H 1 0.864 0.022 . 2 . . . . 23 LEU HD1 . 6989 1 289 . 1 1 23 23 LEU HD12 H 1 0.864 0.022 . 2 . . . . 23 LEU HD1 . 6989 1 290 . 1 1 23 23 LEU HD13 H 1 0.864 0.022 . 2 . . . . 23 LEU HD1 . 6989 1 291 . 1 1 23 23 LEU HD21 H 1 0.864 0.022 . 2 . . . . 23 LEU HD2 . 6989 1 292 . 1 1 23 23 LEU HD22 H 1 0.864 0.022 . 2 . . . . 23 LEU HD2 . 6989 1 293 . 1 1 23 23 LEU HD23 H 1 0.864 0.022 . 2 . . . . 23 LEU HD2 . 6989 1 294 . 1 1 23 23 LEU C C 13 175.206 0.055 . 1 . . . . 23 LEU C . 6989 1 295 . 1 1 23 23 LEU CA C 13 53.139 0.29 . 1 . . . . 23 LEU CA . 6989 1 296 . 1 1 23 23 LEU CB C 13 46.208 0.29 . 1 . . . . 23 LEU CB . 6989 1 297 . 1 1 23 23 LEU CD1 C 13 26.994 0.29 . 1 . . . . 23 LEU CD1 . 6989 1 298 . 1 1 23 23 LEU N N 15 129.845 0.12 . 1 . . . . 23 LEU N . 6989 1 299 . 1 1 24 24 LYS H H 1 8.991 0.022 . 1 . . . . 24 LYS H . 6989 1 300 . 1 1 24 24 LYS HA H 1 5.179 0.022 . 1 . . . . 24 LYS HA . 6989 1 301 . 1 1 24 24 LYS HB2 H 1 2.069 0.022 . 1 . . . . 24 LYS HB2 . 6989 1 302 . 1 1 24 24 LYS HB3 H 1 2.069 0.022 . 1 . . . . 24 LYS HB3 . 6989 1 303 . 1 1 24 24 LYS HG2 H 1 1.487 0.022 . 1 . . . . 24 LYS HG2 . 6989 1 304 . 1 1 24 24 LYS HG3 H 1 1.487 0.022 . 1 . . . . 24 LYS HG3 . 6989 1 305 . 1 1 24 24 LYS HD2 H 1 1.862 0.022 . 1 . . . . 24 LYS HD2 . 6989 1 306 . 1 1 24 24 LYS HD3 H 1 1.862 0.022 . 1 . . . . 24 LYS HD3 . 6989 1 307 . 1 1 24 24 LYS HE2 H 1 2.917 0.022 . 1 . . . . 24 LYS HE2 . 6989 1 308 . 1 1 24 24 LYS HE3 H 1 2.917 0.022 . 1 . . . . 24 LYS HE3 . 6989 1 309 . 1 1 24 24 LYS C C 13 175.522 0.055 . 1 . . . . 24 LYS C . 6989 1 310 . 1 1 24 24 LYS CA C 13 55.354 0.29 . 1 . . . . 24 LYS CA . 6989 1 311 . 1 1 24 24 LYS CB C 13 34.557 0.29 . 1 . . . . 24 LYS CB . 6989 1 312 . 1 1 24 24 LYS CG C 13 25.719 0.29 . 1 . . . . 24 LYS CG . 6989 1 313 . 1 1 24 24 LYS CD C 13 29.517 0.29 . 1 . . . . 24 LYS CD . 6989 1 314 . 1 1 24 24 LYS CE C 13 42.008 0.29 . 1 . . . . 24 LYS CE . 6989 1 315 . 1 1 24 24 LYS N N 15 126.852 0.12 . 1 . . . . 24 LYS N . 6989 1 316 . 1 1 25 25 PHE H H 1 7.835 0.022 . 1 . . . . 25 PHE H . 6989 1 317 . 1 1 25 25 PHE HA H 1 5.468 0.022 . 1 . . . . 25 PHE HA . 6989 1 318 . 1 1 25 25 PHE HB2 H 1 3.357 0.022 . 1 . . . . 25 PHE HB2 . 6989 1 319 . 1 1 25 25 PHE HB3 H 1 2.919 0.022 . 1 . . . . 25 PHE HB3 . 6989 1 320 . 1 1 25 25 PHE HD1 H 1 7.159 0.022 . 1 . . . . 25 PHE HD1 . 6989 1 321 . 1 1 25 25 PHE HD2 H 1 7.159 0.022 . 1 . . . . 25 PHE HD2 . 6989 1 322 . 1 1 25 25 PHE C C 13 173.745 0.055 . 1 . . . . 25 PHE C . 6989 1 323 . 1 1 25 25 PHE CA C 13 55.142 0.29 . 1 . . . . 25 PHE CA . 6989 1 324 . 1 1 25 25 PHE CB C 13 40.841 0.29 . . . . . . 25 PHE CB . 6989 1 325 . 1 1 25 25 PHE N N 15 119.387 0.12 . 1 . . . . 25 PHE N . 6989 1 326 . 1 1 26 26 ASP H H 1 8.313 0.022 . 1 . . . . 26 ASP H . 6989 1 327 . 1 1 26 26 ASP HA H 1 4.648 0.022 . 1 . . . . 26 ASP HA . 6989 1 328 . 1 1 26 26 ASP HB2 H 1 2.868 0.022 . 1 . . . . 26 ASP HB2 . 6989 1 329 . 1 1 26 26 ASP HB3 H 1 2.706 0.022 . 1 . . . . 26 ASP HB3 . 6989 1 330 . 1 1 26 26 ASP C C 13 176.365 0.055 . 1 . . . . 26 ASP C . 6989 1 331 . 1 1 26 26 ASP CA C 13 53.671 0.29 . 1 . . . . 26 ASP CA . 6989 1 332 . 1 1 26 26 ASP CB C 13 41.735 0.29 . 1 . . . . 26 ASP CB . 6989 1 333 . 1 1 26 26 ASP N N 15 119.512 0.12 . 1 . . . . 26 ASP N . 6989 1 334 . 1 1 27 27 SER H H 1 7.906 0.022 . 1 . . . . 27 SER H . 6989 1 335 . 1 1 27 27 SER HA H 1 4.461 0.022 . 1 . . . . 27 SER HA . 6989 1 336 . 1 1 27 27 SER HB2 H 1 4.179 0.022 . 1 . . . . 27 SER HB2 . 6989 1 337 . 1 1 27 27 SER HB3 H 1 3.927 0.022 . 1 . . . . 27 SER HB3 . 6989 1 338 . 1 1 27 27 SER C C 13 173.973 0.055 . 1 . . . . 27 SER C . 6989 1 339 . 1 1 27 27 SER CA C 13 58.105 0.29 . 1 . . . . 27 SER CA . 6989 1 340 . 1 1 27 27 SER CB C 13 64.224 0.29 . 1 . . . . 27 SER CB . 6989 1 341 . 1 1 27 27 SER N N 15 114.342 0.12 . 1 . . . . 27 SER N . 6989 1 342 . 1 1 28 28 SER H H 1 8.445 0.022 . 1 . . . . 28 SER H . 6989 1 343 . 1 1 28 28 SER HA H 1 4.449 0.022 . 1 . . . . 28 SER HA . 6989 1 344 . 1 1 28 28 SER HB2 H 1 4.008 0.022 . 1 . . . . 28 SER HB2 . 6989 1 345 . 1 1 28 28 SER HB3 H 1 4.008 0.022 . 1 . . . . 28 SER HB3 . 6989 1 346 . 1 1 28 28 SER C C 13 174.61 0.055 . 1 . . . . 28 SER C . 6989 1 347 . 1 1 28 28 SER CA C 13 59.704 0.29 . 1 . . . . 28 SER CA . 6989 1 348 . 1 1 28 28 SER CB C 13 63.496 0.29 . 1 . . . . 28 SER CB . 6989 1 349 . 1 1 28 28 SER N N 15 115.719 0.12 . 1 . . . . 28 SER N . 6989 1 350 . 1 1 29 29 ARG H H 1 7.916 0.022 . 1 . . . . 29 ARG H . 6989 1 351 . 1 1 29 29 ARG HA H 1 4.522 0.022 . 1 . . . . 29 ARG HA . 6989 1 352 . 1 1 29 29 ARG HB2 H 1 1.735 0.022 . 1 . . . . 29 ARG HB2 . 6989 1 353 . 1 1 29 29 ARG HB3 H 1 1.735 0.022 . 1 . . . . 29 ARG HB3 . 6989 1 354 . 1 1 29 29 ARG HG2 H 1 1.501 0.022 . 1 . . . . 29 ARG HG2 . 6989 1 355 . 1 1 29 29 ARG HG3 H 1 1.501 0.022 . 1 . . . . 29 ARG HG3 . 6989 1 356 . 1 1 29 29 ARG HD2 H 1 3.159 0.022 . 1 . . . . 29 ARG HD2 . 6989 1 357 . 1 1 29 29 ARG HD3 H 1 3.159 0.022 . 1 . . . . 29 ARG HD3 . 6989 1 358 . 1 1 29 29 ARG C C 13 176.654 0.055 . 1 . . . . 29 ARG C . 6989 1 359 . 1 1 29 29 ARG CA C 13 54.986 0.29 . 1 . . . . 29 ARG CA . 6989 1 360 . 1 1 29 29 ARG CB C 13 31.286 0.29 . 1 . . . . 29 ARG CB . 6989 1 361 . 1 1 29 29 ARG CG C 13 26.728 0.29 . 1 . . . . 29 ARG CG . 6989 1 362 . 1 1 29 29 ARG CD C 13 42.244 0.29 . 1 . . . . 29 ARG CD . 6989 1 363 . 1 1 29 29 ARG N N 15 121.915 0.12 . 1 . . . . 29 ARG N . 6989 1 364 . 1 1 30 30 THR H H 1 8.38 0.022 . 1 . . . . 30 THR H . 6989 1 365 . 1 1 30 30 THR HA H 1 4.228 0.022 . 1 . . . . 30 THR HA . 6989 1 366 . 1 1 30 30 THR HB H 1 3.821 0.022 . 1 . . . . 30 THR HB . 6989 1 367 . 1 1 30 30 THR HG21 H 1 1.148 0.022 . 1 . . . . 30 THR HG2 . 6989 1 368 . 1 1 30 30 THR HG22 H 1 1.148 0.022 . 1 . . . . 30 THR HG2 . 6989 1 369 . 1 1 30 30 THR HG23 H 1 1.148 0.022 . 1 . . . . 30 THR HG2 . 6989 1 370 . 1 1 30 30 THR CA C 13 60.543 0.29 . 1 . . . . 30 THR CA . 6989 1 371 . 1 1 30 30 THR CB C 13 69.944 0.29 . 1 . . . . 30 THR CB . 6989 1 372 . 1 1 30 30 THR N N 15 121.895 0.12 . 1 . . . . 30 THR N . 6989 1 373 . 1 1 31 31 PRO C C 13 175.048 0.055 . 1 . . . . 31 PRO C . 6989 1 374 . 1 1 31 31 PRO CA C 13 62.519 0.29 . 1 . . . . 31 PRO CA . 6989 1 375 . 1 1 31 31 PRO CB C 13 31.959 0.29 . 1 . . . . 31 PRO CB . 6989 1 376 . 1 1 31 31 PRO CG C 13 27.792 0.29 . 1 . . . . 31 PRO CG . 6989 1 377 . 1 1 31 31 PRO CD C 13 49.722 0.29 . 1 . . . . 31 PRO CD . 6989 1 378 . 1 1 32 32 SER H H 1 8.731 0.022 . 1 . . . . 32 SER H . 6989 1 379 . 1 1 32 32 SER HA H 1 4.431 0.022 . 1 . . . . 32 SER HA . 6989 1 380 . 1 1 32 32 SER HB2 H 1 3.999 0.022 . 1 . . . . 32 SER HB2 . 6989 1 381 . 1 1 32 32 SER HB3 H 1 3.999 0.022 . 1 . . . . 32 SER HB3 . 6989 1 382 . 1 1 32 32 SER C C 13 174.771 0.055 . 1 . . . . 32 SER C . 6989 1 383 . 1 1 32 32 SER CA C 13 56.833 0.29 . 1 . . . . 32 SER CA . 6989 1 384 . 1 1 32 32 SER CB C 13 66.044 0.29 . 1 . . . . 32 SER CB . 6989 1 385 . 1 1 32 32 SER N N 15 118.613 0.12 . 1 . . . . 32 SER N . 6989 1 386 . 1 1 33 33 ARG H H 1 8.89 0.022 . 1 . . . . 33 ARG H . 6989 1 387 . 1 1 33 33 ARG HA H 1 4.794 0.022 . 1 . . . . 33 ARG HA . 6989 1 388 . 1 1 33 33 ARG C C 13 178.298 0.055 . 1 . . . . 33 ARG C . 6989 1 389 . 1 1 33 33 ARG CA C 13 60.41 0.29 . 1 . . . . 33 ARG CA . 6989 1 390 . 1 1 33 33 ARG CB C 13 30.19 0.29 . 1 . . . . 33 ARG CB . 6989 1 391 . 1 1 33 33 ARG CG C 13 27.512 0.29 . 1 . . . . 33 ARG CG . 6989 1 392 . 1 1 33 33 ARG CD C 13 43.543 0.29 . 1 . . . . 33 ARG CD . 6989 1 393 . 1 1 33 33 ARG N N 15 120.127 0.12 . 1 . . . . 33 ARG N . 6989 1 394 . 1 1 34 34 GLU H H 1 8.345 0.022 . 1 . . . . 34 GLU H . 6989 1 395 . 1 1 34 34 GLU HA H 1 3.904 0.022 . 1 . . . . 34 GLU HA . 6989 1 396 . 1 1 34 34 GLU HB2 H 1 2.108 0.022 . 1 . . . . 34 GLU HB2 . 6989 1 397 . 1 1 34 34 GLU HB3 H 1 2.108 0.022 . 1 . . . . 34 GLU HB3 . 6989 1 398 . 1 1 34 34 GLU HG2 H 1 2.448 0.022 . 1 . . . . 34 GLU HG2 . 6989 1 399 . 1 1 34 34 GLU HG3 H 1 2.253 0.022 . 1 . . . . 34 GLU HG3 . 6989 1 400 . 1 1 34 34 GLU C C 13 178.857 0.055 . 1 . . . . 34 GLU C . 6989 1 401 . 1 1 34 34 GLU CA C 13 59.857 0.29 . 1 . . . . 34 GLU CA . 6989 1 402 . 1 1 34 34 GLU CB C 13 29.246 0.29 . 1 . . . . 34 GLU CB . 6989 1 403 . 1 1 34 34 GLU CG C 13 36.648 0.29 . 1 . . . . 34 GLU CG . 6989 1 404 . 1 1 34 34 GLU N N 15 117.588 0.12 . 1 . . . . 34 GLU N . 6989 1 405 . 1 1 35 35 GLU H H 1 7.648 0.022 . 1 . . . . 35 GLU H . 6989 1 406 . 1 1 35 35 GLU HA H 1 3.982 0.022 . 1 . . . . 35 GLU HA . 6989 1 407 . 1 1 35 35 GLU HB2 H 1 2.326 0.022 . 1 . . . . 35 GLU HB2 . 6989 1 408 . 1 1 35 35 GLU HB3 H 1 1.825 0.022 . 1 . . . . 35 GLU HB3 . 6989 1 409 . 1 1 35 35 GLU HG2 H 1 2.3 0.022 . 1 . . . . 35 GLU HG2 . 6989 1 410 . 1 1 35 35 GLU HG3 H 1 2.3 0.022 . 1 . . . . 35 GLU HG3 . 6989 1 411 . 1 1 35 35 GLU C C 13 179.729 0.055 . 1 . . . . 35 GLU C . 6989 1 412 . 1 1 35 35 GLU CA C 13 59.472 0.29 . 1 . . . . 35 GLU CA . 6989 1 413 . 1 1 35 35 GLU CB C 13 29.751 0.29 . 1 . . . . 35 GLU CB . 6989 1 414 . 1 1 35 35 GLU CG C 13 37.777 0.29 . 1 . . . . 35 GLU CG . 6989 1 415 . 1 1 35 35 GLU N N 15 120.439 0.12 . 1 . . . . 35 GLU N . 6989 1 416 . 1 1 36 36 ILE H H 1 8.131 0.022 . 1 . . . . 36 ILE H . 6989 1 417 . 1 1 36 36 ILE HA H 1 3.288 0.022 . 1 . . . . 36 ILE HA . 6989 1 418 . 1 1 36 36 ILE HB H 1 1.761 0.022 . 1 . . . . 36 ILE HB . 6989 1 419 . 1 1 36 36 ILE HG21 H 1 0.553 0.022 . 1 . . . . 36 ILE HG2 . 6989 1 420 . 1 1 36 36 ILE HG22 H 1 0.553 0.022 . 1 . . . . 36 ILE HG2 . 6989 1 421 . 1 1 36 36 ILE HG23 H 1 0.553 0.022 . 1 . . . . 36 ILE HG2 . 6989 1 422 . 1 1 36 36 ILE HD11 H 1 0.708 0.022 . 1 . . . . 36 ILE HD1 . 6989 1 423 . 1 1 36 36 ILE HD12 H 1 0.708 0.022 . 1 . . . . 36 ILE HD1 . 6989 1 424 . 1 1 36 36 ILE HD13 H 1 0.708 0.022 . 1 . . . . 36 ILE HD1 . 6989 1 425 . 1 1 36 36 ILE C C 13 176.877 0.055 . 1 . . . . 36 ILE C . 6989 1 426 . 1 1 36 36 ILE CA C 13 66.349 0.29 . 1 . . . . 36 ILE CA . 6989 1 427 . 1 1 36 36 ILE CB C 13 38.293 0.29 . 1 . . . . 36 ILE CB . 6989 1 428 . 1 1 36 36 ILE CG2 C 13 16.928 0.29 . 1 . . . . 36 ILE CG2 . 6989 1 429 . 1 1 36 36 ILE CD1 C 13 13.645 0.29 . 1 . . . . 36 ILE CD1 . 6989 1 430 . 1 1 36 36 ILE N N 15 121.108 0.12 . 1 . . . . 36 ILE N . 6989 1 431 . 1 1 37 37 LYS H H 1 8.195 0.022 . 1 . . . . 37 LYS H . 6989 1 432 . 1 1 37 37 LYS HA H 1 3.521 0.022 . 1 . . . . 37 LYS HA . 6989 1 433 . 1 1 37 37 LYS HB2 H 1 1.965 0.022 . 1 . . . . 37 LYS HB2 . 6989 1 434 . 1 1 37 37 LYS HB3 H 1 1.888 0.022 . 1 . . . . 37 LYS HB3 . 6989 1 435 . 1 1 37 37 LYS HG2 H 1 1.272 0.022 . 1 . . . . 37 LYS HG2 . 6989 1 436 . 1 1 37 37 LYS HG3 H 1 1.272 0.022 . 1 . . . . 37 LYS HG3 . 6989 1 437 . 1 1 37 37 LYS C C 13 177.661 0.055 . 1 . . . . 37 LYS C . 6989 1 438 . 1 1 37 37 LYS CA C 13 60.145 0.29 . 1 . . . . 37 LYS CA . 6989 1 439 . 1 1 37 37 LYS CB C 13 33.026 0.29 . 1 . . . . 37 LYS CB . 6989 1 440 . 1 1 37 37 LYS CG C 13 24.613 0.29 . 1 . . . . 37 LYS CG . 6989 1 441 . 1 1 37 37 LYS CD C 13 30.13 0.29 . 1 . . . . 37 LYS CD . 6989 1 442 . 1 1 37 37 LYS CE C 13 41.697 0.29 . 1 . . . . 37 LYS CE . 6989 1 443 . 1 1 37 37 LYS N N 15 119.969 0.12 . 1 . . . . 37 LYS N . 6989 1 444 . 1 1 38 38 GLU H H 1 7.709 0.022 . 1 . . . . 38 GLU H . 6989 1 445 . 1 1 38 38 GLU HA H 1 3.898 0.022 . 1 . . . . 38 GLU HA . 6989 1 446 . 1 1 38 38 GLU HB2 H 1 1.75 0.022 . 1 . . . . 38 GLU HB2 . 6989 1 447 . 1 1 38 38 GLU HB3 H 1 1.75 0.022 . 1 . . . . 38 GLU HB3 . 6989 1 448 . 1 1 38 38 GLU HG2 H 1 2.103 0.022 . 1 . . . . 38 GLU HG2 . 6989 1 449 . 1 1 38 38 GLU HG3 H 1 2.103 0.022 . 1 . . . . 38 GLU HG3 . 6989 1 450 . 1 1 38 38 GLU C C 13 178.482 0.055 . 1 . . . . 38 GLU C . 6989 1 451 . 1 1 38 38 GLU CA C 13 59.583 0.29 . 1 . . . . 38 GLU CA . 6989 1 452 . 1 1 38 38 GLU CB C 13 29.558 0.29 . 1 . . . . 38 GLU CB . 6989 1 453 . 1 1 38 38 GLU CG C 13 36.612 0.29 . 1 . . . . 38 GLU CG . 6989 1 454 . 1 1 38 38 GLU N N 15 116.43 0.12 . 1 . . . . 38 GLU N . 6989 1 455 . 1 1 39 39 LEU H H 1 7.786 0.022 . 1 . . . . 39 LEU H . 6989 1 456 . 1 1 39 39 LEU HA H 1 4.149 0.022 . 1 . . . . 39 LEU HA . 6989 1 457 . 1 1 39 39 LEU HB2 H 1 1.754 0.022 . 1 . . . . 39 LEU HB2 . 6989 1 458 . 1 1 39 39 LEU HB3 H 1 1.754 0.022 . 1 . . . . 39 LEU HB3 . 6989 1 459 . 1 1 39 39 LEU HD11 H 1 0.955 0.022 . 1 . . . . 39 LEU HD1 . 6989 1 460 . 1 1 39 39 LEU HD12 H 1 0.955 0.022 . 1 . . . . 39 LEU HD1 . 6989 1 461 . 1 1 39 39 LEU HD13 H 1 0.955 0.022 . 1 . . . . 39 LEU HD1 . 6989 1 462 . 1 1 39 39 LEU HD21 H 1 0.886 0.022 . 1 . . . . 39 LEU HD2 . 6989 1 463 . 1 1 39 39 LEU HD22 H 1 0.886 0.022 . 1 . . . . 39 LEU HD2 . 6989 1 464 . 1 1 39 39 LEU HD23 H 1 0.886 0.022 . 1 . . . . 39 LEU HD2 . 6989 1 465 . 1 1 39 39 LEU C C 13 180.015 0.055 . 1 . . . . 39 LEU C . 6989 1 466 . 1 1 39 39 LEU CA C 13 57.949 0.29 . 1 . . . . 39 LEU CA . 6989 1 467 . 1 1 39 39 LEU CB C 13 42.44 0.29 . 1 . . . . 39 LEU CB . 6989 1 468 . 1 1 39 39 LEU CD2 C 13 26.028 0.29 . 1 . . . . 39 LEU CD2 . 6989 1 469 . 1 1 39 39 LEU N N 15 120.865 0.12 . 1 . . . . 39 LEU N . 6989 1 470 . 1 1 40 40 ILE H H 1 8.445 0.022 . 1 . . . . 40 ILE H . 6989 1 471 . 1 1 40 40 ILE HA H 1 3.347 0.022 . 1 . . . . 40 ILE HA . 6989 1 472 . 1 1 40 40 ILE HB H 1 1.698 0.022 . 1 . . . . 40 ILE HB . 6989 1 473 . 1 1 40 40 ILE HG12 H 1 1.444 0.022 . 1 . . . . 40 ILE HG12 . 6989 1 474 . 1 1 40 40 ILE HG13 H 1 1.444 0.022 . 1 . . . . 40 ILE HG13 . 6989 1 475 . 1 1 40 40 ILE HG21 H 1 0.562 0.022 . 1 . . . . 40 ILE HG2 . 6989 1 476 . 1 1 40 40 ILE HG22 H 1 0.562 0.022 . 1 . . . . 40 ILE HG2 . 6989 1 477 . 1 1 40 40 ILE HG23 H 1 0.562 0.022 . 1 . . . . 40 ILE HG2 . 6989 1 478 . 1 1 40 40 ILE HD11 H 1 0.182 0.022 . 1 . . . . 40 ILE HD1 . 6989 1 479 . 1 1 40 40 ILE HD12 H 1 0.182 0.022 . 1 . . . . 40 ILE HD1 . 6989 1 480 . 1 1 40 40 ILE HD13 H 1 0.182 0.022 . 1 . . . . 40 ILE HD1 . 6989 1 481 . 1 1 40 40 ILE C C 13 175.629 0.055 . 1 . . . . 40 ILE C . 6989 1 482 . 1 1 40 40 ILE CA C 13 65.311 0.29 . 1 . . . . 40 ILE CA . 6989 1 483 . 1 1 40 40 ILE CB C 13 37.357 0.29 . 1 . . . . 40 ILE CB . 6989 1 484 . 1 1 40 40 ILE CG2 C 13 18.087 0.29 . 1 . . . . 40 ILE CG2 . 6989 1 485 . 1 1 40 40 ILE CD1 C 13 13.145 0.29 . 1 . . . . 40 ILE CD1 . 6989 1 486 . 1 1 40 40 ILE N N 15 120.452 0.12 . 1 . . . . 40 ILE N . 6989 1 487 . 1 1 41 41 ALA H H 1 8.352 0.022 . 1 . . . . 41 ALA H . 6989 1 488 . 1 1 41 41 ALA HA H 1 3.816 0.022 . 1 . . . . 41 ALA HA . 6989 1 489 . 1 1 41 41 ALA HB1 H 1 1.562 0.022 . 1 . . . . 41 ALA HB . 6989 1 490 . 1 1 41 41 ALA HB2 H 1 1.562 0.022 . 1 . . . . 41 ALA HB . 6989 1 491 . 1 1 41 41 ALA HB3 H 1 1.562 0.022 . 1 . . . . 41 ALA HB . 6989 1 492 . 1 1 41 41 ALA C C 13 179.916 0.055 . 1 . . . . 41 ALA C . 6989 1 493 . 1 1 41 41 ALA CA C 13 55.429 0.29 . 1 . . . . 41 ALA CA . 6989 1 494 . 1 1 41 41 ALA CB C 13 17.597 0.29 . 1 . . . . 41 ALA CB . 6989 1 495 . 1 1 41 41 ALA N N 15 121.58 0.12 . 1 . . . . 41 ALA N . 6989 1 496 . 1 1 42 42 LYS H H 1 8.064 0.022 . 1 . . . . 42 LYS H . 6989 1 497 . 1 1 42 42 LYS HA H 1 4.145 0.022 . 1 . . . . 42 LYS HA . 6989 1 498 . 1 1 42 42 LYS HB2 H 1 1.998 0.022 . 1 . . . . 42 LYS HB2 . 6989 1 499 . 1 1 42 42 LYS HB3 H 1 1.998 0.022 . 1 . . . . 42 LYS HB3 . 6989 1 500 . 1 1 42 42 LYS HG2 H 1 1.662 0.022 . 1 . . . . 42 LYS HG2 . 6989 1 501 . 1 1 42 42 LYS HG3 H 1 1.521 0.022 . 1 . . . . 42 LYS HG3 . 6989 1 502 . 1 1 42 42 LYS HD2 H 1 1.746 0.022 . 1 . . . . 42 LYS HD2 . 6989 1 503 . 1 1 42 42 LYS HD3 H 1 1.746 0.022 . 1 . . . . 42 LYS HD3 . 6989 1 504 . 1 1 42 42 LYS HE2 H 1 3.019 0.022 . 1 . . . . 42 LYS HE2 . 6989 1 505 . 1 1 42 42 LYS HE3 H 1 3.019 0.022 . 1 . . . . 42 LYS HE3 . 6989 1 506 . 1 1 42 42 LYS C C 13 179.415 0.055 . 1 . . . . 42 LYS C . 6989 1 507 . 1 1 42 42 LYS CA C 13 58.844 0.29 . 1 . . . . 42 LYS CA . 6989 1 508 . 1 1 42 42 LYS CB C 13 32.261 0.29 . 1 . . . . 42 LYS CB . 6989 1 509 . 1 1 42 42 LYS CG C 13 24.923 0.29 . 1 . . . . 42 LYS CG . 6989 1 510 . 1 1 42 42 LYS CD C 13 29.097 0.29 . 1 . . . . 42 LYS CD . 6989 1 511 . 1 1 42 42 LYS CE C 13 42.11 0.29 . 1 . . . . 42 LYS CE . 6989 1 512 . 1 1 42 42 LYS N N 15 116.621 0.12 . 1 . . . . 42 LYS N . 6989 1 513 . 1 1 43 43 HIS H H 1 8.291 0.022 . 1 . . . . 43 HIS H . 6989 1 514 . 1 1 43 43 HIS HA H 1 4.101 0.022 . 1 . . . . 43 HIS HA . 6989 1 515 . 1 1 43 43 HIS HB2 H 1 3.369 0.022 . 1 . . . . 43 HIS HB2 . 6989 1 516 . 1 1 43 43 HIS HB3 H 1 3.196 0.022 . 1 . . . . 43 HIS HB3 . 6989 1 517 . 1 1 43 43 HIS C C 13 177.317 0.055 . 1 . . . . 43 HIS C . 6989 1 518 . 1 1 43 43 HIS CA C 13 60.402 0.29 . 1 . . . . 43 HIS CA . 6989 1 519 . 1 1 43 43 HIS CB C 13 29.53 0.29 . 1 . . . . 43 HIS CB . 6989 1 520 . 1 1 43 43 HIS N N 15 119.302 0.12 . 1 . . . . 43 HIS N . 6989 1 521 . 1 1 44 44 GLU H H 1 8.346 0.022 . 1 . . . . 44 GLU H . 6989 1 522 . 1 1 44 44 GLU HA H 1 4.244 0.022 . 1 . . . . 44 GLU HA . 6989 1 523 . 1 1 44 44 GLU HB2 H 1 1.815 0.022 . 1 . . . . 44 GLU HB2 . 6989 1 524 . 1 1 44 44 GLU HB3 H 1 1.815 0.022 . 1 . . . . 44 GLU HB3 . 6989 1 525 . 1 1 44 44 GLU HG2 H 1 2.241 0.022 . 1 . . . . 44 GLU HG2 . 6989 1 526 . 1 1 44 44 GLU HG3 H 1 2.241 0.022 . 1 . . . . 44 GLU HG3 . 6989 1 527 . 1 1 44 44 GLU C C 13 176.263 0.055 . 1 . . . . 44 GLU C . 6989 1 528 . 1 1 44 44 GLU CA C 13 55.433 0.29 . 1 . . . . 44 GLU CA . 6989 1 529 . 1 1 44 44 GLU CB C 13 30.825 0.29 . 1 . . . . 44 GLU CB . 6989 1 530 . 1 1 44 44 GLU CG C 13 37.683 0.29 . 1 . . . . 44 GLU CG . 6989 1 531 . 1 1 44 44 GLU N N 15 113.523 0.12 . 1 . . . . 44 GLU N . 6989 1 532 . 1 1 45 45 GLY H H 1 7.913 0.022 . 1 . . . . 45 GLY H . 6989 1 533 . 1 1 45 45 GLY HA2 H 1 3.913 0.022 . 1 . . . . 45 GLY HA2 . 6989 1 534 . 1 1 45 45 GLY HA3 H 1 3.913 0.022 . 1 . . . . 45 GLY HA3 . 6989 1 535 . 1 1 45 45 GLY C C 13 174.977 0.055 . 1 . . . . 45 GLY C . 6989 1 536 . 1 1 45 45 GLY CA C 13 47.084 0.29 . 1 . . . . 45 GLY CA . 6989 1 537 . 1 1 45 45 GLY N N 15 111.198 0.12 . 1 . . . . 45 GLY N . 6989 1 538 . 1 1 46 46 VAL H H 1 7.857 0.022 . 1 . . . . 46 VAL H . 6989 1 539 . 1 1 46 46 VAL HA H 1 4.73 0.022 . 1 . . . . 46 VAL HA . 6989 1 540 . 1 1 46 46 VAL HB H 1 2.155 0.022 . 1 . . . . 46 VAL HB . 6989 1 541 . 1 1 46 46 VAL HG11 H 1 0.804 0.022 . 1 . . . . 46 VAL HG1 . 6989 1 542 . 1 1 46 46 VAL HG12 H 1 0.804 0.022 . 1 . . . . 46 VAL HG1 . 6989 1 543 . 1 1 46 46 VAL HG13 H 1 0.804 0.022 . 1 . . . . 46 VAL HG1 . 6989 1 544 . 1 1 46 46 VAL HG21 H 1 0.672 0.022 . 1 . . . . 46 VAL HG2 . 6989 1 545 . 1 1 46 46 VAL HG22 H 1 0.672 0.022 . 1 . . . . 46 VAL HG2 . 6989 1 546 . 1 1 46 46 VAL HG23 H 1 0.672 0.022 . 1 . . . . 46 VAL HG2 . 6989 1 547 . 1 1 46 46 VAL C C 13 174.34 0.055 . 1 . . . . 46 VAL C . 6989 1 548 . 1 1 46 46 VAL CA C 13 58.449 0.29 . 1 . . . . 46 VAL CA . 6989 1 549 . 1 1 46 46 VAL CB C 13 35.56 0.29 . 1 . . . . 46 VAL CB . 6989 1 550 . 1 1 46 46 VAL CG1 C 13 21.802 0.29 . 1 . . . . 46 VAL CG1 . 6989 1 551 . 1 1 46 46 VAL CG2 C 13 18.789 0.29 . 1 . . . . 46 VAL CG2 . 6989 1 552 . 1 1 46 46 VAL N N 15 111.249 0.12 . 1 . . . . 46 VAL N . 6989 1 553 . 1 1 47 47 ASP H H 1 8.081 0.022 . 1 . . . . 47 ASP H . 6989 1 554 . 1 1 47 47 ASP HA H 1 4.44 0.022 . 1 . . . . 47 ASP HA . 6989 1 555 . 1 1 47 47 ASP HB2 H 1 2.752 0.022 . 1 . . . . 47 ASP HB2 . 6989 1 556 . 1 1 47 47 ASP HB3 H 1 2.569 0.022 . 1 . . . . 47 ASP HB3 . 6989 1 557 . 1 1 47 47 ASP C C 13 177.796 0.055 . 1 . . . . 47 ASP C . 6989 1 558 . 1 1 47 47 ASP CA C 13 54.38 0.29 . 1 . . . . 47 ASP CA . 6989 1 559 . 1 1 47 47 ASP CB C 13 41.979 0.29 . 1 . . . . 47 ASP CB . 6989 1 560 . 1 1 47 47 ASP N N 15 121.396 0.12 . 1 . . . . 47 ASP N . 6989 1 561 . 1 1 48 48 LYS H H 1 8.61 0.022 . 1 . . . . 48 LYS H . 6989 1 562 . 1 1 48 48 LYS HA H 1 3.884 0.022 . 1 . . . . 48 LYS HA . 6989 1 563 . 1 1 48 48 LYS HB2 H 1 1.755 0.022 . 1 . . . . 48 LYS HB2 . 6989 1 564 . 1 1 48 48 LYS HB3 H 1 1.755 0.022 . 1 . . . . 48 LYS HB3 . 6989 1 565 . 1 1 48 48 LYS HG2 H 1 1.362 0.022 . 1 . . . . 48 LYS HG2 . 6989 1 566 . 1 1 48 48 LYS HG3 H 1 1.362 0.022 . 1 . . . . 48 LYS HG3 . 6989 1 567 . 1 1 48 48 LYS HD2 H 1 1.56 0.022 . 1 . . . . 48 LYS HD2 . 6989 1 568 . 1 1 48 48 LYS HD3 H 1 1.56 0.022 . 1 . . . . 48 LYS HD3 . 6989 1 569 . 1 1 48 48 LYS C C 13 177.079 0.055 . 1 . . . . 48 LYS C . 6989 1 570 . 1 1 48 48 LYS CA C 13 59.469 0.29 . 1 . . . . 48 LYS CA . 6989 1 571 . 1 1 48 48 LYS CB C 13 31.907 0.29 . 1 . . . . 48 LYS CB . 6989 1 572 . 1 1 48 48 LYS CG C 13 24.207 0.29 . 1 . . . . 48 LYS CG . 6989 1 573 . 1 1 48 48 LYS CD C 13 30.049 0.29 . 1 . . . . 48 LYS CD . 6989 1 574 . 1 1 48 48 LYS CE C 13 41.942 0.29 . 1 . . . . 48 LYS CE . 6989 1 575 . 1 1 48 48 LYS N N 15 124.721 0.12 . 1 . . . . 48 LYS N . 6989 1 576 . 1 1 49 49 GLU H H 1 8.756 0.022 . 1 . . . . 49 GLU H . 6989 1 577 . 1 1 49 49 GLU HA H 1 4.255 0.022 . 1 . . . . 49 GLU HA . 6989 1 578 . 1 1 49 49 GLU HB2 H 1 2.011 0.022 . 1 . . . . 49 GLU HB2 . 6989 1 579 . 1 1 49 49 GLU HB3 H 1 2.011 0.022 . 1 . . . . 49 GLU HB3 . 6989 1 580 . 1 1 49 49 GLU HG2 H 1 2.289 0.022 . 1 . . . . 49 GLU HG2 . 6989 1 581 . 1 1 49 49 GLU HG3 H 1 2.289 0.022 . 1 . . . . 49 GLU HG3 . 6989 1 582 . 1 1 49 49 GLU C C 13 177.628 0.055 . 1 . . . . 49 GLU C . 6989 1 583 . 1 1 49 49 GLU CA C 13 58.284 0.29 . 1 . . . . 49 GLU CA . 6989 1 584 . 1 1 49 49 GLU CB C 13 28.813 0.29 . 1 . . . . 49 GLU CB . 6989 1 585 . 1 1 49 49 GLU CG C 13 36.396 0.29 . 1 . . . . 49 GLU CG . 6989 1 586 . 1 1 49 49 GLU N N 15 117.595 0.12 . 1 . . . . 49 GLU N . 6989 1 587 . 1 1 50 50 LEU H H 1 7.907 0.022 . 1 . . . . 50 LEU H . 6989 1 588 . 1 1 50 50 LEU HA H 1 4.365 0.022 . 1 . . . . 50 LEU HA . 6989 1 589 . 1 1 50 50 LEU HB2 H 1 2.243 0.022 . 1 . . . . 50 LEU HB2 . 6989 1 590 . 1 1 50 50 LEU HB3 H 1 1.846 0.022 . 1 . . . . 50 LEU HB3 . 6989 1 591 . 1 1 50 50 LEU HG H 1 1.552 0.022 . 1 . . . . 50 LEU HG . 6989 1 592 . 1 1 50 50 LEU HD11 H 1 0.978 0.022 . 1 . . . . 50 LEU HD1 . 6989 1 593 . 1 1 50 50 LEU HD12 H 1 0.978 0.022 . 1 . . . . 50 LEU HD1 . 6989 1 594 . 1 1 50 50 LEU HD13 H 1 0.978 0.022 . 1 . . . . 50 LEU HD1 . 6989 1 595 . 1 1 50 50 LEU HD21 H 1 0.618 0.022 . 1 . . . . 50 LEU HD2 . 6989 1 596 . 1 1 50 50 LEU HD22 H 1 0.618 0.022 . 1 . . . . 50 LEU HD2 . 6989 1 597 . 1 1 50 50 LEU HD23 H 1 0.618 0.022 . 1 . . . . 50 LEU HD2 . 6989 1 598 . 1 1 50 50 LEU C C 13 175.31 0.055 . 1 . . . . 50 LEU C . 6989 1 599 . 1 1 50 50 LEU CA C 13 54.411 0.29 . 1 . . . . 50 LEU CA . 6989 1 600 . 1 1 50 50 LEU CB C 13 40.466 0.29 . 1 . . . . 50 LEU CB . 6989 1 601 . 1 1 50 50 LEU CG C 13 27.531 0.29 . 1 . . . . 50 LEU CG . 6989 1 602 . 1 1 50 50 LEU CD1 C 13 24.859 0.29 . 1 . . . . 50 LEU CD1 . 6989 1 603 . 1 1 50 50 LEU CD2 C 13 21.353 0.29 . 1 . . . . 50 LEU CD2 . 6989 1 604 . 1 1 50 50 LEU N N 15 118.515 0.12 . 1 . . . . 50 LEU N . 6989 1 605 . 1 1 51 51 VAL H H 1 7.393 0.022 . 1 . . . . 51 VAL H . 6989 1 606 . 1 1 51 51 VAL HA H 1 4.378 0.022 . 1 . . . . 51 VAL HA . 6989 1 607 . 1 1 51 51 VAL HB H 1 2.302 0.022 . 1 . . . . 51 VAL HB . 6989 1 608 . 1 1 51 51 VAL HG11 H 1 0.802 0.022 . 2 . . . . 51 VAL HG1 . 6989 1 609 . 1 1 51 51 VAL HG12 H 1 0.802 0.022 . 2 . . . . 51 VAL HG1 . 6989 1 610 . 1 1 51 51 VAL HG13 H 1 0.802 0.022 . 2 . . . . 51 VAL HG1 . 6989 1 611 . 1 1 51 51 VAL HG21 H 1 0.802 0.022 . 2 . . . . 51 VAL HG2 . 6989 1 612 . 1 1 51 51 VAL HG22 H 1 0.802 0.022 . 2 . . . . 51 VAL HG2 . 6989 1 613 . 1 1 51 51 VAL HG23 H 1 0.802 0.022 . 2 . . . . 51 VAL HG2 . 6989 1 614 . 1 1 51 51 VAL C C 13 174.577 0.055 . 1 . . . . 51 VAL C . 6989 1 615 . 1 1 51 51 VAL CA C 13 62.128 0.29 . 1 . . . . 51 VAL CA . 6989 1 616 . 1 1 51 51 VAL CB C 13 32.212 0.29 . 1 . . . . 51 VAL CB . 6989 1 617 . 1 1 51 51 VAL CG1 C 13 22.049 0.29 . 1 . . . . 51 VAL CG1 . 6989 1 618 . 1 1 51 51 VAL N N 15 118.967 0.12 . 1 . . . . 51 VAL N . 6989 1 619 . 1 1 52 52 ILE H H 1 9.292 0.022 . 1 . . . . 52 ILE H . 6989 1 620 . 1 1 52 52 ILE HA H 1 4.584 0.022 . 1 . . . . 52 ILE HA . 6989 1 621 . 1 1 52 52 ILE HB H 1 2.203 0.022 . 1 . . . . 52 ILE HB . 6989 1 622 . 1 1 52 52 ILE HG12 H 1 1.839 0.022 . 1 . . . . 52 ILE HG12 . 6989 1 623 . 1 1 52 52 ILE HG13 H 1 1.562 0.022 . 1 . . . . 52 ILE HG13 . 6989 1 624 . 1 1 52 52 ILE HG21 H 1 0.943 0.022 . 1 . . . . 52 ILE HG2 . 6989 1 625 . 1 1 52 52 ILE HG22 H 1 0.943 0.022 . 1 . . . . 52 ILE HG2 . 6989 1 626 . 1 1 52 52 ILE HG23 H 1 0.943 0.022 . 1 . . . . 52 ILE HG2 . 6989 1 627 . 1 1 52 52 ILE HD11 H 1 0.893 0.022 . 1 . . . . 52 ILE HD1 . 6989 1 628 . 1 1 52 52 ILE HD12 H 1 0.893 0.022 . 1 . . . . 52 ILE HD1 . 6989 1 629 . 1 1 52 52 ILE HD13 H 1 0.893 0.022 . 1 . . . . 52 ILE HD1 . 6989 1 630 . 1 1 52 52 ILE C C 13 176.236 0.055 . 1 . . . . 52 ILE C . 6989 1 631 . 1 1 52 52 ILE CA C 13 58.177 0.29 . 1 . . . . 52 ILE CA . 6989 1 632 . 1 1 52 52 ILE CB C 13 38.213 0.29 . 1 . . . . 52 ILE CB . 6989 1 633 . 1 1 52 52 ILE CG2 C 13 17.36 0.29 . 1 . . . . 52 ILE CG2 . 6989 1 634 . 1 1 52 52 ILE CD1 C 13 10.48 0.29 . 1 . . . . 52 ILE CD1 . 6989 1 635 . 1 1 52 52 ILE N N 15 127.953 0.12 . 1 . . . . 52 ILE N . 6989 1 636 . 1 1 53 53 VAL H H 1 9.061 0.022 . 1 . . . . 53 VAL H . 6989 1 637 . 1 1 53 53 VAL HA H 1 4.275 0.022 . 1 . . . . 53 VAL HA . 6989 1 638 . 1 1 53 53 VAL HB H 1 2.036 0.022 . 1 . . . . 53 VAL HB . 6989 1 639 . 1 1 53 53 VAL HG11 H 1 1.029 0.022 . 1 . . . . 53 VAL HG1 . 6989 1 640 . 1 1 53 53 VAL HG12 H 1 1.029 0.022 . 1 . . . . 53 VAL HG1 . 6989 1 641 . 1 1 53 53 VAL HG13 H 1 1.029 0.022 . 1 . . . . 53 VAL HG1 . 6989 1 642 . 1 1 53 53 VAL HG21 H 1 0.845 0.022 . 1 . . . . 53 VAL HG2 . 6989 1 643 . 1 1 53 53 VAL HG22 H 1 0.845 0.022 . 1 . . . . 53 VAL HG2 . 6989 1 644 . 1 1 53 53 VAL HG23 H 1 0.845 0.022 . 1 . . . . 53 VAL HG2 . 6989 1 645 . 1 1 53 53 VAL C C 13 175.197 0.055 . 1 . . . . 53 VAL C . 6989 1 646 . 1 1 53 53 VAL CA C 13 62.233 0.29 . 1 . . . . 53 VAL CA . 6989 1 647 . 1 1 53 53 VAL CB C 13 32.808 0.29 . 1 . . . . 53 VAL CB . 6989 1 648 . 1 1 53 53 VAL CG1 C 13 21.519 0.29 . 1 . . . . 53 VAL CG1 . 6989 1 649 . 1 1 53 53 VAL N N 15 130.879 0.12 . 1 . . . . 53 VAL N . 6989 1 650 . 1 1 54 54 ASP H H 1 8.138 0.022 . 1 . . . . 54 ASP H . 6989 1 651 . 1 1 54 54 ASP HA H 1 4.807 0.022 . 1 . . . . 54 ASP HA . 6989 1 652 . 1 1 54 54 ASP HB2 H 1 2.99 0.022 . 1 . . . . 54 ASP HB2 . 6989 1 653 . 1 1 54 54 ASP HB3 H 1 2.66 0.022 . 1 . . . . 54 ASP HB3 . 6989 1 654 . 1 1 54 54 ASP C C 13 176.58 0.055 . 1 . . . . 54 ASP C . 6989 1 655 . 1 1 54 54 ASP CA C 13 54.662 0.29 . 1 . . . . 54 ASP CA . 6989 1 656 . 1 1 54 54 ASP CB C 13 42.741 0.29 . 1 . . . . 54 ASP CB . 6989 1 657 . 1 1 54 54 ASP N N 15 128.582 0.12 . 1 . . . . 54 ASP N . 6989 1 658 . 1 1 55 55 ASN H H 1 8.797 0.022 . 1 . . . . 55 ASN H . 6989 1 659 . 1 1 55 55 ASN HA H 1 4.669 0.022 . 1 . . . . 55 ASN HA . 6989 1 660 . 1 1 55 55 ASN HB2 H 1 2.903 0.022 . 1 . . . . 55 ASN HB2 . 6989 1 661 . 1 1 55 55 ASN HB3 H 1 2.811 0.022 . 1 . . . . 55 ASN HB3 . 6989 1 662 . 1 1 55 55 ASN C C 13 175.345 0.055 . 1 . . . . 55 ASN C . 6989 1 663 . 1 1 55 55 ASN CA C 13 54.477 0.29 . 1 . . . . 55 ASN CA . 6989 1 664 . 1 1 55 55 ASN CB C 13 39.167 0.29 . 1 . . . . 55 ASN CB . 6989 1 665 . 1 1 55 55 ASN N N 15 120.769 0.12 . 1 . . . . 55 ASN N . 6989 1 666 . 1 1 56 56 ASN H H 1 8.555 0.022 . 1 . . . . 56 ASN H . 6989 1 667 . 1 1 56 56 ASN HA H 1 4.847 0.022 . 1 . . . . 56 ASN HA . 6989 1 668 . 1 1 56 56 ASN HB2 H 1 2.843 0.022 . 1 . . . . 56 ASN HB2 . 6989 1 669 . 1 1 56 56 ASN HB3 H 1 2.843 0.022 . 1 . . . . 56 ASN HB3 . 6989 1 670 . 1 1 56 56 ASN C C 13 174.48 0.055 . 1 . . . . 56 ASN C . 6989 1 671 . 1 1 56 56 ASN CA C 13 53.605 0.29 . 1 . . . . 56 ASN CA . 6989 1 672 . 1 1 56 56 ASN CB C 13 39.095 0.29 . 1 . . . . 56 ASN CB . 6989 1 673 . 1 1 56 56 ASN N N 15 119.234 0.12 . 1 . . . . 56 ASN N . 6989 1 674 . 1 1 57 57 LYS H H 1 8.246 0.022 . 1 . . . . 57 LYS H . 6989 1 675 . 1 1 57 57 LYS HA H 1 4.676 0.022 . 1 . . . . 57 LYS HA . 6989 1 676 . 1 1 57 57 LYS HB2 H 1 1.811 0.022 . 1 . . . . 57 LYS HB2 . 6989 1 677 . 1 1 57 57 LYS HB3 H 1 1.811 0.022 . 1 . . . . 57 LYS HB3 . 6989 1 678 . 1 1 57 57 LYS HG2 H 1 1.438 0.022 . 1 . . . . 57 LYS HG2 . 6989 1 679 . 1 1 57 57 LYS HG3 H 1 1.438 0.022 . 1 . . . . 57 LYS HG3 . 6989 1 680 . 1 1 57 57 LYS HD2 H 1 1.709 0.022 . 1 . . . . 57 LYS HD2 . 6989 1 681 . 1 1 57 57 LYS HD3 H 1 1.709 0.022 . 1 . . . . 57 LYS HD3 . 6989 1 682 . 1 1 57 57 LYS HE2 H 1 2.913 0.022 . 1 . . . . 57 LYS HE2 . 6989 1 683 . 1 1 57 57 LYS HE3 H 1 2.819 0.022 . 1 . . . . 57 LYS HE3 . 6989 1 684 . 1 1 57 57 LYS C C 13 174.8 0.055 . 1 . . . . 57 LYS C . 6989 1 685 . 1 1 57 57 LYS CA C 13 55.51 0.29 . 1 . . . . 57 LYS CA . 6989 1 686 . 1 1 57 57 LYS CB C 13 33.511 0.29 . 1 . . . . 57 LYS CB . 6989 1 687 . 1 1 57 57 LYS CG C 13 24.149 0.29 . 1 . . . . 57 LYS CG . 6989 1 688 . 1 1 57 57 LYS CD C 13 29.288 0.29 . 1 . . . . 57 LYS CD . 6989 1 689 . 1 1 57 57 LYS CE C 13 42.088 0.29 . 1 . . . . 57 LYS CE . 6989 1 690 . 1 1 57 57 LYS N N 15 121.372 0.12 . 1 . . . . 57 LYS N . 6989 1 691 . 1 1 58 58 GLN H H 1 8.447 0.022 . 1 . . . . 58 GLN H . 6989 1 692 . 1 1 58 58 GLN HA H 1 4.773 0.022 . 1 . . . . 58 GLN HA . 6989 1 693 . 1 1 58 58 GLN HB2 H 1 2.119 0.022 . 1 . . . . 58 GLN HB2 . 6989 1 694 . 1 1 58 58 GLN HB3 H 1 2.119 0.022 . 1 . . . . 58 GLN HB3 . 6989 1 695 . 1 1 58 58 GLN HG2 H 1 2.395 0.022 . 1 . . . . 58 GLN HG2 . 6989 1 696 . 1 1 58 58 GLN HG3 H 1 2.395 0.022 . 1 . . . . 58 GLN HG3 . 6989 1 697 . 1 1 58 58 GLN C C 13 175.356 0.055 . 1 . . . . 58 GLN C . 6989 1 698 . 1 1 58 58 GLN CA C 13 54.968 0.29 . 1 . . . . 58 GLN CA . 6989 1 699 . 1 1 58 58 GLN CB C 13 30.665 0.29 . 1 . . . . 58 GLN CB . 6989 1 700 . 1 1 58 58 GLN CG C 13 33.816 0.29 . 1 . . . . 58 GLN CG . 6989 1 701 . 1 1 58 58 GLN N N 15 121.987 0.12 . 1 . . . . 58 GLN N . 6989 1 702 . 1 1 59 59 LEU H H 1 8.796 0.022 . 1 . . . . 59 LEU H . 6989 1 703 . 1 1 59 59 LEU HA H 1 4.789 0.022 . 1 . . . . 59 LEU HA . 6989 1 704 . 1 1 59 59 LEU HB2 H 1 1.707 0.022 . 1 . . . . 59 LEU HB2 . 6989 1 705 . 1 1 59 59 LEU HB3 H 1 1.707 0.022 . 1 . . . . 59 LEU HB3 . 6989 1 706 . 1 1 59 59 LEU HG H 1 1.708 0.022 . 1 . . . . 59 LEU HG . 6989 1 707 . 1 1 59 59 LEU HD11 H 1 0.95 0.022 . 2 . . . . 59 LEU HD1 . 6989 1 708 . 1 1 59 59 LEU HD12 H 1 0.95 0.022 . 2 . . . . 59 LEU HD1 . 6989 1 709 . 1 1 59 59 LEU HD13 H 1 0.95 0.022 . 2 . . . . 59 LEU HD1 . 6989 1 710 . 1 1 59 59 LEU HD21 H 1 0.95 0.022 . 2 . . . . 59 LEU HD2 . 6989 1 711 . 1 1 59 59 LEU HD22 H 1 0.95 0.022 . 2 . . . . 59 LEU HD2 . 6989 1 712 . 1 1 59 59 LEU HD23 H 1 0.95 0.022 . 2 . . . . 59 LEU HD2 . 6989 1 713 . 1 1 59 59 LEU C C 13 177.131 0.055 . 1 . . . . 59 LEU C . 6989 1 714 . 1 1 59 59 LEU CA C 13 54.868 0.29 . 1 . . . . 59 LEU CA . 6989 1 715 . 1 1 59 59 LEU CB C 13 42.103 0.29 . 1 . . . . 59 LEU CB . 6989 1 716 . 1 1 59 59 LEU CG C 13 27.748 0.29 . 1 . . . . 59 LEU CG . 6989 1 717 . 1 1 59 59 LEU CD1 C 13 24.367 0.29 . 1 . . . . 59 LEU CD1 . 6989 1 718 . 1 1 59 59 LEU N N 15 128.002 0.12 . 1 . . . . 59 LEU N . 6989 1 719 . 1 1 60 60 THR H H 1 8.471 0.022 . 1 . . . . 60 THR H . 6989 1 720 . 1 1 60 60 THR HA H 1 4.133 0.022 . 1 . . . . 60 THR HA . 6989 1 721 . 1 1 60 60 THR HB H 1 4.181 0.022 . 1 . . . . 60 THR HB . 6989 1 722 . 1 1 60 60 THR HG21 H 1 1.227 0.022 . 1 . . . . 60 THR HG2 . 6989 1 723 . 1 1 60 60 THR HG22 H 1 1.227 0.022 . 1 . . . . 60 THR HG2 . 6989 1 724 . 1 1 60 60 THR HG23 H 1 1.227 0.022 . 1 . . . . 60 THR HG2 . 6989 1 725 . 1 1 60 60 THR C C 13 175.098 0.055 . 1 . . . . 60 THR C . 6989 1 726 . 1 1 60 60 THR CA C 13 63.046 0.29 . 1 . . . . 60 THR CA . 6989 1 727 . 1 1 60 60 THR CB C 13 69.01 0.29 . 1 . . . . 60 THR CB . 6989 1 728 . 1 1 60 60 THR CG2 C 13 22.197 0.29 . 1 . . . . 60 THR CG2 . 6989 1 729 . 1 1 60 60 THR N N 15 119.409 0.12 . 1 . . . . 60 THR N . 6989 1 730 . 1 1 61 61 GLY H H 1 8.563 0.022 . 1 . . . . 61 GLY H . 6989 1 731 . 1 1 61 61 GLY HA2 H 1 4.107 0.022 . 1 . . . . 61 GLY HA2 . 6989 1 732 . 1 1 61 61 GLY HA3 H 1 4.107 0.022 . 1 . . . . 61 GLY HA3 . 6989 1 733 . 1 1 61 61 GLY C C 13 173.192 0.055 . 1 . . . . 61 GLY C . 6989 1 734 . 1 1 61 61 GLY CA C 13 44.87 0.29 . 1 . . . . 61 GLY CA . 6989 1 735 . 1 1 61 61 GLY N N 15 113.328 0.12 . 1 . . . . 61 GLY N . 6989 1 736 . 1 1 62 62 LYS H H 1 8.19 0.022 . 1 . . . . 62 LYS H . 6989 1 737 . 1 1 62 62 LYS HA H 1 4.193 0.022 . 1 . . . . 62 LYS HA . 6989 1 738 . 1 1 62 62 LYS HB2 H 1 1.629 0.022 . 1 . . . . 62 LYS HB2 . 6989 1 739 . 1 1 62 62 LYS HB3 H 1 1.629 0.022 . 1 . . . . 62 LYS HB3 . 6989 1 740 . 1 1 62 62 LYS HG2 H 1 1.326 0.022 . 1 . . . . 62 LYS HG2 . 6989 1 741 . 1 1 62 62 LYS HG3 H 1 1.203 0.022 . 1 . . . . 62 LYS HG3 . 6989 1 742 . 1 1 62 62 LYS HE2 H 1 3.108 0.022 . 1 . . . . 62 LYS HE2 . 6989 1 743 . 1 1 62 62 LYS HE3 H 1 3.108 0.022 . 1 . . . . 62 LYS HE3 . 6989 1 744 . 1 1 62 62 LYS C C 13 176.501 0.055 . 1 . . . . 62 LYS C . 6989 1 745 . 1 1 62 62 LYS CA C 13 56.912 0.29 . 1 . . . . 62 LYS CA . 6989 1 746 . 1 1 62 62 LYS CB C 13 33.488 0.29 . 1 . . . . 62 LYS CB . 6989 1 747 . 1 1 62 62 LYS CG C 13 25.081 0.29 . 1 . . . . 62 LYS CG . 6989 1 748 . 1 1 62 62 LYS CD C 13 28.796 0.29 . 1 . . . . 62 LYS CD . 6989 1 749 . 1 1 62 62 LYS CE C 13 42.167 0.29 . 1 . . . . 62 LYS CE . 6989 1 750 . 1 1 62 62 LYS N N 15 119.126 0.12 . 1 . . . . 62 LYS N . 6989 1 751 . 1 1 63 63 HIS H H 1 8.501 0.022 . 1 . . . . 63 HIS H . 6989 1 752 . 1 1 63 63 HIS HA H 1 3.96 0.022 . 1 . . . . 63 HIS HA . 6989 1 753 . 1 1 63 63 HIS HB2 H 1 3.117 0.022 . 1 . . . . 63 HIS HB2 . 6989 1 754 . 1 1 63 63 HIS HB3 H 1 2.758 0.022 . 1 . . . . 63 HIS HB3 . 6989 1 755 . 1 1 63 63 HIS C C 13 172.998 0.055 . 1 . . . . 63 HIS C . 6989 1 756 . 1 1 63 63 HIS CA C 13 54.406 0.29 . 1 . . . . 63 HIS CA . 6989 1 757 . 1 1 63 63 HIS CB C 13 28.099 0.29 . 1 . . . . 63 HIS CB . 6989 1 758 . 1 1 63 63 HIS N N 15 116.686 0.12 . 1 . . . . 63 HIS N . 6989 1 759 . 1 1 64 64 GLU H H 1 6.997 0.022 . 1 . . . . 64 GLU H . 6989 1 760 . 1 1 64 64 GLU HA H 1 5.406 0.022 . 1 . . . . 64 GLU HA . 6989 1 761 . 1 1 64 64 GLU HB2 H 1 1.852 0.022 . 1 . . . . 64 GLU HB2 . 6989 1 762 . 1 1 64 64 GLU HB3 H 1 1.769 0.022 . 1 . . . . 64 GLU HB3 . 6989 1 763 . 1 1 64 64 GLU HG2 H 1 2.025 0.022 . 1 . . . . 64 GLU HG2 . 6989 1 764 . 1 1 64 64 GLU HG3 H 1 2.025 0.022 . 1 . . . . 64 GLU HG3 . 6989 1 765 . 1 1 64 64 GLU C C 13 174.509 0.055 . 1 . . . . 64 GLU C . 6989 1 766 . 1 1 64 64 GLU CA C 13 55.427 0.29 . 1 . . . . 64 GLU CA . 6989 1 767 . 1 1 64 64 GLU CB C 13 34.388 0.29 . 1 . . . . 64 GLU CB . 6989 1 768 . 1 1 64 64 GLU CG C 13 36.794 0.29 . 1 . . . . 64 GLU CG . 6989 1 769 . 1 1 64 64 GLU N N 15 117.397 0.12 . 1 . . . . 64 GLU N . 6989 1 770 . 1 1 65 65 ILE H H 1 9.084 0.022 . 1 . . . . 65 ILE H . 6989 1 771 . 1 1 65 65 ILE HA H 1 5.146 0.022 . 1 . . . . 65 ILE HA . 6989 1 772 . 1 1 65 65 ILE HB H 1 1.813 0.022 . 1 . . . . 65 ILE HB . 6989 1 773 . 1 1 65 65 ILE HG12 H 1 1.276 0.022 . 1 . . . . 65 ILE HG12 . 6989 1 774 . 1 1 65 65 ILE HG13 H 1 1.276 0.022 . 1 . . . . 65 ILE HG13 . 6989 1 775 . 1 1 65 65 ILE HG21 H 1 0.989 0.022 . 1 . . . . 65 ILE HG2 . 6989 1 776 . 1 1 65 65 ILE HG22 H 1 0.989 0.022 . 1 . . . . 65 ILE HG2 . 6989 1 777 . 1 1 65 65 ILE HG23 H 1 0.989 0.022 . 1 . . . . 65 ILE HG2 . 6989 1 778 . 1 1 65 65 ILE HD11 H 1 0.852 0.022 . 1 . . . . 65 ILE HD1 . 6989 1 779 . 1 1 65 65 ILE HD12 H 1 0.852 0.022 . 1 . . . . 65 ILE HD1 . 6989 1 780 . 1 1 65 65 ILE HD13 H 1 0.852 0.022 . 1 . . . . 65 ILE HD1 . 6989 1 781 . 1 1 65 65 ILE C C 13 173.824 0.055 . 1 . . . . 65 ILE C . 6989 1 782 . 1 1 65 65 ILE CA C 13 59.369 0.29 . 1 . . . . 65 ILE CA . 6989 1 783 . 1 1 65 65 ILE CB C 13 43.367 0.29 . 1 . . . . 65 ILE CB . 6989 1 784 . 1 1 65 65 ILE CG1 C 13 28.512 0.29 . 1 . . . . 65 ILE CG1 . 6989 1 785 . 1 1 65 65 ILE CG2 C 13 18.31 0.29 . 1 . . . . 65 ILE CG2 . 6989 1 786 . 1 1 65 65 ILE CD1 C 13 14.701 0.29 . 1 . . . . 65 ILE CD1 . 6989 1 787 . 1 1 65 65 ILE N N 15 122.35 0.12 . 1 . . . . 65 ILE N . 6989 1 788 . 1 1 66 66 GLU H H 1 8.701 0.022 . 1 . . . . 66 GLU H . 6989 1 789 . 1 1 66 66 GLU HA H 1 5.168 0.022 . 1 . . . . 66 GLU HA . 6989 1 790 . 1 1 66 66 GLU HB2 H 1 1.937 0.022 . 1 . . . . 66 GLU HB2 . 6989 1 791 . 1 1 66 66 GLU HB3 H 1 1.937 0.022 . 1 . . . . 66 GLU HB3 . 6989 1 792 . 1 1 66 66 GLU HG2 H 1 2.208 0.022 . 1 . . . . 66 GLU HG2 . 6989 1 793 . 1 1 66 66 GLU HG3 H 1 2.026 0.022 . 1 . . . . 66 GLU HG3 . 6989 1 794 . 1 1 66 66 GLU C C 13 175.487 0.055 . 1 . . . . 66 GLU C . 6989 1 795 . 1 1 66 66 GLU CA C 13 54.099 0.29 . 1 . . . . 66 GLU CA . 6989 1 796 . 1 1 66 66 GLU CB C 13 33.298 0.29 . 1 . . . . 66 GLU CB . 6989 1 797 . 1 1 66 66 GLU CG C 13 36.714 0.29 . 1 . . . . 66 GLU CG . 6989 1 798 . 1 1 66 66 GLU N N 15 124.604 0.12 . 1 . . . . 66 GLU N . 6989 1 799 . 1 1 67 67 GLY H H 1 7.447 0.022 . 1 . . . . 67 GLY H . 6989 1 800 . 1 1 67 67 GLY HA2 H 1 4.335 0.022 . 1 . . . . 67 GLY HA2 . 6989 1 801 . 1 1 67 67 GLY HA3 H 1 3.607 0.022 . 1 . . . . 67 GLY HA3 . 6989 1 802 . 1 1 67 67 GLY C C 13 170.324 0.055 . 1 . . . . 67 GLY C . 6989 1 803 . 1 1 67 67 GLY CA C 13 45.375 0.29 . 1 . . . . 67 GLY CA . 6989 1 804 . 1 1 67 67 GLY N N 15 109.933 0.12 . 1 . . . . 67 GLY N . 6989 1 805 . 1 1 68 68 TYR H H 1 8.092 0.022 . 1 . . . . 68 TYR H . 6989 1 806 . 1 1 68 68 TYR HA H 1 5.839 0.022 . 1 . . . . 68 TYR HA . 6989 1 807 . 1 1 68 68 TYR HB2 H 1 3.004 0.022 . 1 . . . . 68 TYR HB2 . 6989 1 808 . 1 1 68 68 TYR HB3 H 1 3.004 0.022 . 1 . . . . 68 TYR HB3 . 6989 1 809 . 1 1 68 68 TYR HD1 H 1 7.081 0.022 . 1 . . . . 68 TYR HD1 . 6989 1 810 . 1 1 68 68 TYR HD2 H 1 7.081 0.022 . 1 . . . . 68 TYR HD2 . 6989 1 811 . 1 1 68 68 TYR C C 13 175.841 0.055 . 1 . . . . 68 TYR C . 6989 1 812 . 1 1 68 68 TYR CA C 13 55.74 0.29 . 1 . . . . 68 TYR CA . 6989 1 813 . 1 1 68 68 TYR CB C 13 42.367 0.29 . 1 . . . . 68 TYR CB . 6989 1 814 . 1 1 68 68 TYR N N 15 118.79 0.12 . 1 . . . . 68 TYR N . 6989 1 815 . 1 1 69 69 THR H H 1 9.158 0.022 . 1 . . . . 69 THR H . 6989 1 816 . 1 1 69 69 THR HA H 1 5.25 0.022 . 1 . . . . 69 THR HA . 6989 1 817 . 1 1 69 69 THR HB H 1 3.898 0.022 . 1 . . . . 69 THR HB . 6989 1 818 . 1 1 69 69 THR C C 13 170.918 0.055 . 1 . . . . 69 THR C . 6989 1 819 . 1 1 69 69 THR CA C 13 59.774 0.29 . 1 . . . . 69 THR CA . 6989 1 820 . 1 1 69 69 THR CB C 13 72.352 0.29 . 1 . . . . 69 THR CB . 6989 1 821 . 1 1 69 69 THR CG2 C 13 22.056 0.29 . 1 . . . . 69 THR CG2 . 6989 1 822 . 1 1 69 69 THR N N 15 121.634 0.12 . 1 . . . . 69 THR N . 6989 1 823 . 1 1 70 70 LYS H H 1 8.532 0.022 . 1 . . . . 70 LYS H . 6989 1 824 . 1 1 70 70 LYS HA H 1 5.254 0.022 . 1 . . . . 70 LYS HA . 6989 1 825 . 1 1 70 70 LYS HB2 H 1 1.511 0.022 . 1 . . . . 70 LYS HB2 . 6989 1 826 . 1 1 70 70 LYS HB3 H 1 1.316 0.022 . 1 . . . . 70 LYS HB3 . 6989 1 827 . 1 1 70 70 LYS HG2 H 1 1.122 0.022 . 1 . . . . 70 LYS HG2 . 6989 1 828 . 1 1 70 70 LYS HG3 H 1 1.122 0.022 . 1 . . . . 70 LYS HG3 . 6989 1 829 . 1 1 70 70 LYS C C 13 174.712 0.055 . 1 . . . . 70 LYS C . 6989 1 830 . 1 1 70 70 LYS CA C 13 54.22 0.29 . 1 . . . . 70 LYS CA . 6989 1 831 . 1 1 70 70 LYS CB C 13 36.385 0.29 . 1 . . . . 70 LYS CB . 6989 1 832 . 1 1 70 70 LYS CG C 13 25.093 0.29 . 1 . . . . 70 LYS CG . 6989 1 833 . 1 1 70 70 LYS CD C 13 28.992 0.29 . 1 . . . . 70 LYS CD . 6989 1 834 . 1 1 70 70 LYS CE C 13 44.597 0.29 . 1 . . . . 70 LYS CE . 6989 1 835 . 1 1 70 70 LYS N N 15 125.396 0.12 . 1 . . . . 70 LYS N . 6989 1 836 . 1 1 71 71 ILE H H 1 8.584 0.022 . 1 . . . . 71 ILE H . 6989 1 837 . 1 1 71 71 ILE HA H 1 5.051 0.022 . 1 . . . . 71 ILE HA . 6989 1 838 . 1 1 71 71 ILE HB H 1 1.613 0.022 . 1 . . . . 71 ILE HB . 6989 1 839 . 1 1 71 71 ILE HG12 H 1 1.444 0.022 . 1 . . . . 71 ILE HG12 . 6989 1 840 . 1 1 71 71 ILE HG13 H 1 1.444 0.022 . 1 . . . . 71 ILE HG13 . 6989 1 841 . 1 1 71 71 ILE HG21 H 1 0.817 0.022 . 1 . . . . 71 ILE HG2 . 6989 1 842 . 1 1 71 71 ILE HG22 H 1 0.817 0.022 . 1 . . . . 71 ILE HG2 . 6989 1 843 . 1 1 71 71 ILE HG23 H 1 0.817 0.022 . 1 . . . . 71 ILE HG2 . 6989 1 844 . 1 1 71 71 ILE HD11 H 1 0.821 0.022 . 1 . . . . 71 ILE HD1 . 6989 1 845 . 1 1 71 71 ILE HD12 H 1 0.821 0.022 . 1 . . . . 71 ILE HD1 . 6989 1 846 . 1 1 71 71 ILE HD13 H 1 0.821 0.022 . 1 . . . . 71 ILE HD1 . 6989 1 847 . 1 1 71 71 ILE C C 13 177.356 0.055 . 1 . . . . 71 ILE C . 6989 1 848 . 1 1 71 71 ILE CA C 13 59.86 0.29 . 1 . . . . 71 ILE CA . 6989 1 849 . 1 1 71 71 ILE CB C 13 40.172 0.29 . 1 . . . . 71 ILE CB . 6989 1 850 . 1 1 71 71 ILE CG2 C 13 18.487 0.29 . 1 . . . . 71 ILE CG2 . 6989 1 851 . 1 1 71 71 ILE CD1 C 13 14.237 0.29 . 1 . . . . 71 ILE CD1 . 6989 1 852 . 1 1 71 71 ILE N N 15 119.411 0.12 . 1 . . . . 71 ILE N . 6989 1 853 . 1 1 72 72 TYR H H 1 9.065 0.022 . 1 . . . . 72 TYR H . 6989 1 854 . 1 1 72 72 TYR HA H 1 4.711 0.022 . 1 . . . . 72 TYR HA . 6989 1 855 . 1 1 72 72 TYR HB2 H 1 3.387 0.022 . 1 . . . . 72 TYR HB2 . 6989 1 856 . 1 1 72 72 TYR HB3 H 1 2.784 0.022 . 1 . . . . 72 TYR HB3 . 6989 1 857 . 1 1 72 72 TYR HD1 H 1 7.33 0.022 . 1 . . . . 72 TYR HD1 . 6989 1 858 . 1 1 72 72 TYR HD2 H 1 7.33 0.022 . 1 . . . . 72 TYR HD2 . 6989 1 859 . 1 1 72 72 TYR HE1 H 1 7.125 0.022 . 1 . . . . 72 TYR HE1 . 6989 1 860 . 1 1 72 72 TYR HE2 H 1 7.125 0.022 . 1 . . . . 72 TYR HE2 . 6989 1 861 . 1 1 72 72 TYR C C 13 175.904 0.055 . 1 . . . . 72 TYR C . 6989 1 862 . 1 1 72 72 TYR CA C 13 60.551 0.29 . 1 . . . . 72 TYR CA . 6989 1 863 . 1 1 72 72 TYR CB C 13 42.06 0.29 . 1 . . . . 72 TYR CB . 6989 1 864 . 1 1 72 72 TYR N N 15 129.315 0.12 . 1 . . . . 72 TYR N . 6989 1 865 . 1 1 73 73 ALA H H 1 8.852 0.022 . 1 . . . . 73 ALA H . 6989 1 866 . 1 1 73 73 ALA HA H 1 4.139 0.022 . 1 . . . . 73 ALA HA . 6989 1 867 . 1 1 73 73 ALA HB1 H 1 1.469 0.022 . 1 . . . . 73 ALA HB . 6989 1 868 . 1 1 73 73 ALA HB2 H 1 1.469 0.022 . 1 . . . . 73 ALA HB . 6989 1 869 . 1 1 73 73 ALA HB3 H 1 1.469 0.022 . 1 . . . . 73 ALA HB . 6989 1 870 . 1 1 73 73 ALA C C 13 177.735 0.055 . 1 . . . . 73 ALA C . 6989 1 871 . 1 1 73 73 ALA CA C 13 54.182 0.29 . 1 . . . . 73 ALA CA . 6989 1 872 . 1 1 73 73 ALA CB C 13 20.12 0.29 . 1 . . . . 73 ALA CB . 6989 1 873 . 1 1 73 73 ALA N N 15 119.744 0.12 . 1 . . . . 73 ALA N . 6989 1 874 . 1 1 74 74 ASP H H 1 7.651 0.022 . 1 . . . . 74 ASP H . 6989 1 875 . 1 1 74 74 ASP HA H 1 4.519 0.022 . 1 . . . . 74 ASP HA . 6989 1 876 . 1 1 74 74 ASP HB2 H 1 3.147 0.022 . 1 . . . . 74 ASP HB2 . 6989 1 877 . 1 1 74 74 ASP HB3 H 1 2.926 0.022 . 1 . . . . 74 ASP HB3 . 6989 1 878 . 1 1 74 74 ASP C C 13 174.143 0.055 . 1 . . . . 74 ASP C . 6989 1 879 . 1 1 74 74 ASP CA C 13 52.518 0.29 . 1 . . . . 74 ASP CA . 6989 1 880 . 1 1 74 74 ASP CB C 13 42.235 0.29 . 1 . . . . 74 ASP CB . 6989 1 881 . 1 1 74 74 ASP N N 15 108.746 0.12 . 1 . . . . 74 ASP N . 6989 1 882 . 1 1 75 75 LYS H H 1 8.983 0.022 . 1 . . . . 75 LYS H . 6989 1 883 . 1 1 75 75 LYS HA H 1 3.988 0.022 . 1 . . . . 75 LYS HA . 6989 1 884 . 1 1 75 75 LYS HB2 H 1 1.863 0.022 . 1 . . . . 75 LYS HB2 . 6989 1 885 . 1 1 75 75 LYS HB3 H 1 1.863 0.022 . 1 . . . . 75 LYS HB3 . 6989 1 886 . 1 1 75 75 LYS CA C 13 60.766 0.29 . 1 . . . . 75 LYS CA . 6989 1 887 . 1 1 75 75 LYS CB C 13 30.163 0.29 . 1 . . . . 75 LYS CB . 6989 1 888 . 1 1 75 75 LYS N N 15 120.277 0.12 . 1 . . . . 75 LYS N . 6989 1 889 . 1 1 76 76 PRO C C 13 179.531 0.055 . 1 . . . . 76 PRO C . 6989 1 890 . 1 1 76 76 PRO CA C 13 66.265 0.29 . 1 . . . . 76 PRO CA . 6989 1 891 . 1 1 76 76 PRO CB C 13 30.818 0.29 . 1 . . . . 76 PRO CB . 6989 1 892 . 1 1 77 77 SER H H 1 8.08 0.022 . 1 . . . . 77 SER H . 6989 1 893 . 1 1 77 77 SER HA H 1 4.042 0.022 . 1 . . . . 77 SER HA . 6989 1 894 . 1 1 77 77 SER HB2 H 1 3.881 0.022 . 1 . . . . 77 SER HB2 . 6989 1 895 . 1 1 77 77 SER HB3 H 1 3.881 0.022 . 1 . . . . 77 SER HB3 . 6989 1 896 . 1 1 77 77 SER C C 13 174.266 0.055 . 1 . . . . 77 SER C . 6989 1 897 . 1 1 77 77 SER CA C 13 62.877 0.29 . 1 . . . . 77 SER CA . 6989 1 898 . 1 1 77 77 SER CB C 13 67.127 0.29 . 1 . . . . 77 SER CB . 6989 1 899 . 1 1 77 77 SER N N 15 113.354 0.12 . 1 . . . . 77 SER N . 6989 1 900 . 1 1 78 78 ALA H H 1 7.099 0.022 . 1 . . . . 78 ALA H . 6989 1 901 . 1 1 78 78 ALA HA H 1 2.246 0.022 . 1 . . . . 78 ALA HA . 6989 1 902 . 1 1 78 78 ALA HB1 H 1 0.769 0.022 . 1 . . . . 78 ALA HB . 6989 1 903 . 1 1 78 78 ALA HB2 H 1 0.769 0.022 . 1 . . . . 78 ALA HB . 6989 1 904 . 1 1 78 78 ALA HB3 H 1 0.769 0.022 . 1 . . . . 78 ALA HB . 6989 1 905 . 1 1 78 78 ALA C C 13 178.112 0.055 . 1 . . . . 78 ALA C . 6989 1 906 . 1 1 78 78 ALA CA C 13 54.812 0.29 . 1 . . . . 78 ALA CA . 6989 1 907 . 1 1 78 78 ALA CB C 13 17.157 0.29 . 1 . . . . 78 ALA CB . 6989 1 908 . 1 1 78 78 ALA N N 15 124.646 0.12 . 1 . . . . 78 ALA N . 6989 1 909 . 1 1 79 79 MET H H 1 7.589 0.022 . 1 . . . . 79 MET H . 6989 1 910 . 1 1 79 79 MET HA H 1 3.751 0.022 . 1 . . . . 79 MET HA . 6989 1 911 . 1 1 79 79 MET HB2 H 1 1.984 0.022 . 1 . . . . 79 MET HB2 . 6989 1 912 . 1 1 79 79 MET HB3 H 1 1.919 0.022 . 1 . . . . 79 MET HB3 . 6989 1 913 . 1 1 79 79 MET HG2 H 1 2.432 0.022 . 1 . . . . 79 MET HG2 . 6989 1 914 . 1 1 79 79 MET HG3 H 1 2.258 0.022 . 1 . . . . 79 MET HG3 . 6989 1 915 . 1 1 79 79 MET C C 13 177.7 0.055 . 1 . . . . 79 MET C . 6989 1 916 . 1 1 79 79 MET CA C 13 57.316 0.29 . 1 . . . . 79 MET CA . 6989 1 917 . 1 1 79 79 MET CB C 13 32.286 0.29 . 1 . . . . 79 MET CB . 6989 1 918 . 1 1 79 79 MET N N 15 110.839 0.12 . 1 . . . . 79 MET N . 6989 1 919 . 1 1 80 80 LEU H H 1 7.324 0.022 . 1 . . . . 80 LEU H . 6989 1 920 . 1 1 80 80 LEU HA H 1 3.945 0.022 . 1 . . . . 80 LEU HA . 6989 1 921 . 1 1 80 80 LEU HB2 H 1 1.174 0.022 . 1 . . . . 80 LEU HB2 . 6989 1 922 . 1 1 80 80 LEU HB3 H 1 0.831 0.022 . 1 . . . . 80 LEU HB3 . 6989 1 923 . 1 1 80 80 LEU HD11 H 1 0.709 0.022 . 1 . . . . 80 LEU HD1 . 6989 1 924 . 1 1 80 80 LEU HD12 H 1 0.709 0.022 . 1 . . . . 80 LEU HD1 . 6989 1 925 . 1 1 80 80 LEU HD13 H 1 0.709 0.022 . 1 . . . . 80 LEU HD1 . 6989 1 926 . 1 1 80 80 LEU HD21 H 1 0.607 0.022 . 1 . . . . 80 LEU HD2 . 6989 1 927 . 1 1 80 80 LEU HD22 H 1 0.607 0.022 . 1 . . . . 80 LEU HD2 . 6989 1 928 . 1 1 80 80 LEU HD23 H 1 0.607 0.022 . 1 . . . . 80 LEU HD2 . 6989 1 929 . 1 1 80 80 LEU C C 13 179.333 0.055 . 1 . . . . 80 LEU C . 6989 1 930 . 1 1 80 80 LEU CA C 13 56.724 0.29 . 1 . . . . 80 LEU CA . 6989 1 931 . 1 1 80 80 LEU CB C 13 42.559 0.29 . 1 . . . . 80 LEU CB . 6989 1 932 . 1 1 80 80 LEU CD1 C 13 23.801 0.29 . 1 . . . . 80 LEU CD1 . 6989 1 933 . 1 1 80 80 LEU N N 15 118.681 0.12 . 1 . . . . 80 LEU N . 6989 1 934 . 1 1 81 81 TYR H H 1 7.29 0.022 . 1 . . . . 81 TYR H . 6989 1 935 . 1 1 81 81 TYR HA H 1 4.803 0.022 . 1 . . . . 81 TYR HA . 6989 1 936 . 1 1 81 81 TYR HB2 H 1 3.455 0.022 . 1 . . . . 81 TYR HB2 . 6989 1 937 . 1 1 81 81 TYR HB3 H 1 3.004 0.022 . 1 . . . . 81 TYR HB3 . 6989 1 938 . 1 1 81 81 TYR C C 13 176.059 0.055 . 1 . . . . 81 TYR C . 6989 1 939 . 1 1 81 81 TYR CA C 13 58.44 0.29 . 1 . . . . 81 TYR CA . 6989 1 940 . 1 1 81 81 TYR CB C 13 39.208 0.29 . 1 . . . . 81 TYR CB . 6989 1 941 . 1 1 81 81 TYR N N 15 114.311 0.12 . 1 . . . . 81 TYR N . 6989 1 942 . 1 1 82 82 GLU H H 1 7.609 0.022 . 1 . . . . 82 GLU H . 6989 1 943 . 1 1 82 82 GLU HA H 1 4.962 0.022 . 1 . . . . 82 GLU HA . 6989 1 944 . 1 1 82 82 GLU HB2 H 1 2.073 0.022 . 1 . . . . 82 GLU HB2 . 6989 1 945 . 1 1 82 82 GLU HB3 H 1 2.073 0.022 . 1 . . . . 82 GLU HB3 . 6989 1 946 . 1 1 82 82 GLU HG2 H 1 2.325 0.022 . 1 . . . . 82 GLU HG2 . 6989 1 947 . 1 1 82 82 GLU HG3 H 1 2.325 0.022 . 1 . . . . 82 GLU HG3 . 6989 1 948 . 1 1 82 82 GLU CA C 13 52.827 0.29 . 1 . . . . 82 GLU CA . 6989 1 949 . 1 1 82 82 GLU CB C 13 28.806 0.29 . 1 . . . . 82 GLU CB . 6989 1 950 . 1 1 82 82 GLU N N 15 120.08 0.12 . 1 . . . . 82 GLU N . 6989 1 951 . 1 1 83 83 PRO C C 13 177.127 0.055 . 1 . . . . 83 PRO C . 6989 1 952 . 1 1 83 83 PRO CA C 13 64.108 0.29 . 1 . . . . 83 PRO CA . 6989 1 953 . 1 1 83 83 PRO CB C 13 32.135 0.29 . 1 . . . . 83 PRO CB . 6989 1 954 . 1 1 83 83 PRO CG C 13 27.189 0.29 . 1 . . . . 83 PRO CG . 6989 1 955 . 1 1 83 83 PRO CD C 13 50.949 0.29 . 1 . . . . 83 PRO CD . 6989 1 956 . 1 1 84 84 ASP H H 1 8.48 0.022 . 1 . . . . 84 ASP H . 6989 1 957 . 1 1 84 84 ASP HA H 1 4.648 0.022 . 1 . . . . 84 ASP HA . 6989 1 958 . 1 1 84 84 ASP HB2 H 1 2.71 0.022 . 1 . . . . 84 ASP HB2 . 6989 1 959 . 1 1 84 84 ASP HB3 H 1 2.71 0.022 . 1 . . . . 84 ASP HB3 . 6989 1 960 . 1 1 84 84 ASP CA C 13 53.982 0.29 . 1 . . . . 84 ASP CA . 6989 1 961 . 1 1 84 84 ASP CB C 13 40.689 0.29 . 1 . . . . 84 ASP CB . 6989 1 962 . 1 1 84 84 ASP N N 15 117.273 0.12 . 1 . . . . 84 ASP N . 6989 1 963 . 1 1 86 86 GLU C C 13 178.179 0.055 . 1 . . . . 86 GLU C . 6989 1 964 . 1 1 86 86 GLU CA C 13 57.367 0.29 . 1 . . . . 86 GLU CA . 6989 1 965 . 1 1 86 86 GLU CB C 13 30.218 0.29 . 1 . . . . 86 GLU CB . 6989 1 966 . 1 1 86 86 GLU CG C 13 35.543 0.29 . 1 . . . . 86 GLU CG . 6989 1 967 . 1 1 87 87 LEU H H 1 7.701 0.022 . 1 . . . . 87 LEU H . 6989 1 968 . 1 1 87 87 LEU HA H 1 4.044 0.022 . 1 . . . . 87 LEU HA . 6989 1 969 . 1 1 87 87 LEU C C 13 177.274 0.055 . 1 . . . . 87 LEU C . 6989 1 970 . 1 1 87 87 LEU CA C 13 55.607 0.29 . 1 . . . . 87 LEU CA . 6989 1 971 . 1 1 87 87 LEU CB C 13 42.224 0.29 . 1 . . . . 87 LEU CB . 6989 1 972 . 1 1 87 87 LEU CG C 13 27.093 0.29 . 1 . . . . 87 LEU CG . 6989 1 973 . 1 1 87 87 LEU CD1 C 13 24.877 0.29 . 1 . . . . 87 LEU CD1 . 6989 1 974 . 1 1 87 87 LEU CD2 C 13 23.859 0.29 . 1 . . . . 87 LEU CD2 . 6989 1 975 . 1 1 87 87 LEU N N 15 120.958 0.12 . 1 . . . . 87 LEU N . 6989 1 976 . 1 1 88 88 ILE H H 1 7.9 0.022 . 1 . . . . 88 ILE H . 6989 1 977 . 1 1 88 88 ILE HA H 1 4.162 0.022 . 1 . . . . 88 ILE HA . 6989 1 978 . 1 1 88 88 ILE HB H 1 1.879 0.022 . 1 . . . . 88 ILE HB . 6989 1 979 . 1 1 88 88 ILE HG12 H 1 1.464 0.022 . 1 . . . . 88 ILE HG12 . 6989 1 980 . 1 1 88 88 ILE HG13 H 1 1.464 0.022 . 1 . . . . 88 ILE HG13 . 6989 1 981 . 1 1 88 88 ILE HG21 H 1 0.893 0.022 . 1 . . . . 88 ILE HG2 . 6989 1 982 . 1 1 88 88 ILE HG22 H 1 0.893 0.022 . 1 . . . . 88 ILE HG2 . 6989 1 983 . 1 1 88 88 ILE HG23 H 1 0.893 0.022 . 1 . . . . 88 ILE HG2 . 6989 1 984 . 1 1 88 88 ILE HD11 H 1 0.86 0.022 . 1 . . . . 88 ILE HD1 . 6989 1 985 . 1 1 88 88 ILE HD12 H 1 0.86 0.022 . 1 . . . . 88 ILE HD1 . 6989 1 986 . 1 1 88 88 ILE HD13 H 1 0.86 0.022 . 1 . . . . 88 ILE HD1 . 6989 1 987 . 1 1 88 88 ILE C C 13 176.046 0.055 . 1 . . . . 88 ILE C . 6989 1 988 . 1 1 88 88 ILE CA C 13 61.22 0.29 . 1 . . . . 88 ILE CA . 6989 1 989 . 1 1 88 88 ILE CB C 13 38.602 0.29 . 1 . . . . 88 ILE CB . 6989 1 990 . 1 1 88 88 ILE CG1 C 13 27.451 0.29 . 1 . . . . 88 ILE CG1 . 6989 1 991 . 1 1 88 88 ILE CG2 C 13 17.693 0.29 . 1 . . . . 88 ILE CG2 . 6989 1 992 . 1 1 88 88 ILE CD1 C 13 13.127 0.29 . 1 . . . . 88 ILE CD1 . 6989 1 993 . 1 1 88 88 ILE N N 15 120.58 0.12 . 1 . . . . 88 ILE N . 6989 1 994 . 1 1 89 89 ARG H H 1 8.17 0.022 . 1 . . . . 89 ARG H . 6989 1 995 . 1 1 89 89 ARG HA H 1 4.332 0.022 . 1 . . . . 89 ARG HA . 6989 1 996 . 1 1 89 89 ARG HB2 H 1 1.758 0.022 . 1 . . . . 89 ARG HB2 . 6989 1 997 . 1 1 89 89 ARG HB3 H 1 1.758 0.022 . 1 . . . . 89 ARG HB3 . 6989 1 998 . 1 1 89 89 ARG HG2 H 1 1.587 0.022 . 1 . . . . 89 ARG HG2 . 6989 1 999 . 1 1 89 89 ARG HG3 H 1 1.587 0.022 . 1 . . . . 89 ARG HG3 . 6989 1 1000 . 1 1 89 89 ARG C C 13 174.957 0.055 . 1 . . . . 89 ARG C . 6989 1 1001 . 1 1 89 89 ARG CA C 13 56.004 0.29 . 1 . . . . 89 ARG CA . 6989 1 1002 . 1 1 89 89 ARG CB C 13 30.502 0.29 . 1 . . . . 89 ARG CB . 6989 1 1003 . 1 1 89 89 ARG CG C 13 26.939 0.29 . 1 . . . . 89 ARG CG . 6989 1 1004 . 1 1 89 89 ARG CD C 13 43.381 0.29 . 1 . . . . 89 ARG CD . 6989 1 1005 . 1 1 89 89 ARG N N 15 125.108 0.12 . 1 . . . . 89 ARG N . 6989 1 1006 . 1 1 90 90 ASN H H 1 7.942 0.022 . 1 . . . . 90 ASN H . 6989 1 1007 . 1 1 90 90 ASN HA H 1 4.514 0.022 . 1 . . . . 90 ASN HA . 6989 1 1008 . 1 1 90 90 ASN C C 13 176.235 0.055 . 1 . . . . 90 ASN C . 6989 1 1009 . 1 1 90 90 ASN CA C 13 54.775 0.29 . 1 . . . . 90 ASN CA . 6989 1 1010 . 1 1 90 90 ASN CB C 13 40.978 0.29 . 1 . . . . 90 ASN CB . 6989 1 1011 . 1 1 90 90 ASN N N 15 125.611 0.12 . 1 . . . . 90 ASN N . 6989 1 1012 . 1 1 91 91 GLY H H 1 8.278 0.022 . 1 . . . . 91 GLY H . 6989 1 1013 . 1 1 91 91 GLY HA2 H 1 3.896 0.022 . 1 . . . . 91 GLY HA2 . 6989 1 1014 . 1 1 91 91 GLY HA3 H 1 3.896 0.022 . 1 . . . . 91 GLY HA3 . 6989 1 1015 . 1 1 91 91 GLY C C 13 174.367 0.055 . 1 . . . . 91 GLY C . 6989 1 1016 . 1 1 91 91 GLY CA C 13 46.049 0.29 . 1 . . . . 91 GLY CA . 6989 1 1017 . 1 1 91 91 GLY N N 15 113.937 0.12 . 1 . . . . 91 GLY N . 6989 1 1018 . 1 1 92 92 LEU H H 1 8.034 0.022 . 1 . . . . 92 LEU H . 6989 1 1019 . 1 1 92 92 LEU HA H 1 4.328 0.022 . 1 . . . . 92 LEU HA . 6989 1 1020 . 1 1 92 92 LEU HB2 H 1 1.632 0.022 . 1 . . . . 92 LEU HB2 . 6989 1 1021 . 1 1 92 92 LEU HB3 H 1 1.632 0.022 . 1 . . . . 92 LEU HB3 . 6989 1 1022 . 1 1 92 92 LEU HG H 1 1.588 0.022 . 1 . . . . 92 LEU HG . 6989 1 1023 . 1 1 92 92 LEU HD11 H 1 0.939 0.022 . 1 . . . . 92 LEU HD1 . 6989 1 1024 . 1 1 92 92 LEU HD12 H 1 0.939 0.022 . 1 . . . . 92 LEU HD1 . 6989 1 1025 . 1 1 92 92 LEU HD13 H 1 0.939 0.022 . 1 . . . . 92 LEU HD1 . 6989 1 1026 . 1 1 92 92 LEU HD21 H 1 0.876 0.022 . 1 . . . . 92 LEU HD2 . 6989 1 1027 . 1 1 92 92 LEU HD22 H 1 0.876 0.022 . 1 . . . . 92 LEU HD2 . 6989 1 1028 . 1 1 92 92 LEU HD23 H 1 0.876 0.022 . 1 . . . . 92 LEU HD2 . 6989 1 1029 . 1 1 92 92 LEU C C 13 177.765 0.055 . 1 . . . . 92 LEU C . 6989 1 1030 . 1 1 92 92 LEU CA C 13 55.462 0.29 . 1 . . . . 92 LEU CA . 6989 1 1031 . 1 1 92 92 LEU CB C 13 42.273 0.29 . 1 . . . . 92 LEU CB . 6989 1 1032 . 1 1 92 92 LEU CG C 13 27.173 0.29 . 1 . . . . 92 LEU CG . 6989 1 1033 . 1 1 92 92 LEU CD1 C 13 24.976 0.29 . 1 . . . . 92 LEU CD1 . 6989 1 1034 . 1 1 92 92 LEU CD2 C 13 23.982 0.29 . 1 . . . . 92 LEU CD2 . 6989 1 1035 . 1 1 92 92 LEU N N 15 120.557 0.12 . 1 . . . . 92 LEU N . 6989 1 1036 . 1 1 93 93 LYS H H 1 8.249 0.022 . 1 . . . . 93 LYS H . 6989 1 1037 . 1 1 93 93 LYS HA H 1 4.792 0.022 . 1 . . . . 93 LYS HA . 6989 1 1038 . 1 1 93 93 LYS C C 13 174.679 0.055 . 1 . . . . 93 LYS C . 6989 1 1039 . 1 1 93 93 LYS CA C 13 56.601 0.29 . 1 . . . . 93 LYS CA . 6989 1 1040 . 1 1 93 93 LYS CB C 13 32.87 0.29 . 1 . . . . 93 LYS CB . 6989 1 1041 . 1 1 93 93 LYS CG C 13 24.715 0.29 . 1 . . . . 93 LYS CG . 6989 1 1042 . 1 1 93 93 LYS CD C 13 29.304 0.29 . 1 . . . . 93 LYS CD . 6989 1 1043 . 1 1 93 93 LYS CE C 13 43.268 0.29 . 1 . . . . 93 LYS CE . 6989 1 1044 . 1 1 93 93 LYS N N 15 121.984 0.12 . 1 . . . . 93 LYS N . 6989 1 1045 . 1 1 94 94 GLN H H 1 8.366 0.022 . 1 . . . . 94 GLN H . 6989 1 1046 . 1 1 94 94 GLN HA H 1 4.236 0.022 . 1 . . . . 94 GLN HA . 6989 1 1047 . 1 1 94 94 GLN C C 13 176.091 0.055 . 1 . . . . 94 GLN C . 6989 1 1048 . 1 1 94 94 GLN CA C 13 56.024 0.29 . 1 . . . . 94 GLN CA . 6989 1 1049 . 1 1 94 94 GLN CB C 13 29.603 0.29 . 1 . . . . 94 GLN CB . 6989 1 1050 . 1 1 94 94 GLN CG C 13 33.894 0.29 . 1 . . . . 94 GLN CG . 6989 1 1051 . 1 1 94 94 GLN N N 15 122.103 0.12 . 1 . . . . 94 GLN N . 6989 1 1052 . 1 1 95 95 LYS H H 1 8.298 0.022 . 1 . . . . 95 LYS H . 6989 1 1053 . 1 1 95 95 LYS HA H 1 4.27 0.022 . 1 . . . . 95 LYS HA . 6989 1 1054 . 1 1 95 95 LYS HB2 H 1 1.809 0.022 . 1 . . . . 95 LYS HB2 . 6989 1 1055 . 1 1 95 95 LYS HB3 H 1 1.809 0.022 . 1 . . . . 95 LYS HB3 . 6989 1 1056 . 1 1 95 95 LYS HG2 H 1 1.383 0.022 . 1 . . . . 95 LYS HG2 . 6989 1 1057 . 1 1 95 95 LYS HG3 H 1 1.383 0.022 . 1 . . . . 95 LYS HG3 . 6989 1 1058 . 1 1 95 95 LYS HE2 H 1 3.015 0.022 . 1 . . . . 95 LYS HE2 . 6989 1 1059 . 1 1 95 95 LYS HE3 H 1 3.015 0.022 . 1 . . . . 95 LYS HE3 . 6989 1 1060 . 1 1 95 95 LYS C C 13 176.494 0.055 . 1 . . . . 95 LYS C . 6989 1 1061 . 1 1 95 95 LYS CA C 13 56.982 0.29 . 1 . . . . 95 LYS CA . 6989 1 1062 . 1 1 95 95 LYS CB C 13 32.933 0.29 . 1 . . . . 95 LYS CB . 6989 1 1063 . 1 1 95 95 LYS CG C 13 24.75 0.29 . 1 . . . . 95 LYS CG . 6989 1 1064 . 1 1 95 95 LYS CD C 13 29.411 0.29 . 1 . . . . 95 LYS CD . 6989 1 1065 . 1 1 95 95 LYS CE C 13 42.105 0.29 . 1 . . . . 95 LYS CE . 6989 1 1066 . 1 1 95 95 LYS N N 15 122.565 0.12 . 1 . . . . 95 LYS N . 6989 1 1067 . 1 1 96 96 GLU H H 1 8.417 0.022 . 1 . . . . 96 GLU H . 6989 1 1068 . 1 1 96 96 GLU HA H 1 4.263 0.022 . 1 . . . . 96 GLU HA . 6989 1 1069 . 1 1 96 96 GLU HB2 H 1 2.053 0.022 . 1 . . . . 96 GLU HB2 . 6989 1 1070 . 1 1 96 96 GLU HB3 H 1 1.953 0.022 . 1 . . . . 96 GLU HB3 . 6989 1 1071 . 1 1 96 96 GLU HG2 H 1 2.276 0.022 . 1 . . . . 96 GLU HG2 . 6989 1 1072 . 1 1 96 96 GLU HG3 H 1 2.276 0.022 . 1 . . . . 96 GLU HG3 . 6989 1 1073 . 1 1 96 96 GLU C C 13 176.065 0.055 . 1 . . . . 96 GLU C . 6989 1 1074 . 1 1 96 96 GLU CA C 13 56.502 0.29 . 1 . . . . 96 GLU CA . 6989 1 1075 . 1 1 96 96 GLU CB C 13 30.303 0.29 . 1 . . . . 96 GLU CB . 6989 1 1076 . 1 1 96 96 GLU CG C 13 36.292 0.29 . 1 . . . . 96 GLU CG . 6989 1 1077 . 1 1 96 96 GLU N N 15 122.522 0.12 . 1 . . . . 96 GLU N . 6989 1 1078 . 1 1 97 97 ALA H H 1 8.322 0.022 . 1 . . . . 97 ALA H . 6989 1 1079 . 1 1 97 97 ALA HA H 1 4.347 0.022 . 1 . . . . 97 ALA HA . 6989 1 1080 . 1 1 97 97 ALA HB1 H 1 1.404 0.022 . 1 . . . . 97 ALA HB . 6989 1 1081 . 1 1 97 97 ALA HB2 H 1 1.404 0.022 . 1 . . . . 97 ALA HB . 6989 1 1082 . 1 1 97 97 ALA HB3 H 1 1.404 0.022 . 1 . . . . 97 ALA HB . 6989 1 1083 . 1 1 97 97 ALA C C 13 177.564 0.055 . 1 . . . . 97 ALA C . 6989 1 1084 . 1 1 97 97 ALA CA C 13 52.581 0.29 . 1 . . . . 97 ALA CA . 6989 1 1085 . 1 1 97 97 ALA CB C 13 19.122 0.29 . 1 . . . . 97 ALA CB . 6989 1 1086 . 1 1 97 97 ALA N N 15 125.837 0.12 . 1 . . . . 97 ALA N . 6989 1 1087 . 1 1 98 98 LYS H H 1 8.305 0.022 . 1 . . . . 98 LYS H . 6989 1 1088 . 1 1 98 98 LYS HA H 1 4.346 0.022 . 1 . . . . 98 LYS HA . 6989 1 1089 . 1 1 98 98 LYS HB2 H 1 1.844 0.022 . 1 . . . . 98 LYS HB2 . 6989 1 1090 . 1 1 98 98 LYS HB3 H 1 1.844 0.022 . 1 . . . . 98 LYS HB3 . 6989 1 1091 . 1 1 98 98 LYS HG2 H 1 1.484 0.022 . 1 . . . . 98 LYS HG2 . 6989 1 1092 . 1 1 98 98 LYS HG3 H 1 1.484 0.022 . 1 . . . . 98 LYS HG3 . 6989 1 1093 . 1 1 98 98 LYS HD2 H 1 1.746 0.022 . 1 . . . . 98 LYS HD2 . 6989 1 1094 . 1 1 98 98 LYS HD3 H 1 1.746 0.022 . 1 . . . . 98 LYS HD3 . 6989 1 1095 . 1 1 98 98 LYS CA C 13 56.554 0.29 . 1 . . . . 98 LYS CA . 6989 1 1096 . 1 1 98 98 LYS CB C 13 33.11 0.29 . 1 . . . . 98 LYS CB . 6989 1 1097 . 1 1 98 98 LYS CG C 13 24.684 0.29 . 1 . . . . 98 LYS CG . 6989 1 1098 . 1 1 98 98 LYS CD C 13 29.151 0.29 . 1 . . . . 98 LYS CD . 6989 1 1099 . 1 1 98 98 LYS N N 15 121.184 0.12 . 1 . . . . 98 LYS N . 6989 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 161 6989 1 1 162 6989 1 2 231 6989 1 2 232 6989 1 2 233 6989 1 2 234 6989 1 2 235 6989 1 2 236 6989 1 stop_ save_