data_4894 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4894 _Entry.Title ; RNA recognition by a staufen double-stranded RNA-binding domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-11-07 _Entry.Accession_date 2000-11-07 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _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 A. Ramos . . . 4894 2 S. Grunert . . . 4894 3 M. Bycroft . . . 4894 4 D. 'St Johnston' . . . 4894 5 G. Varani . . . 4894 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 4894 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 345 4894 '15N chemical shifts' 93 4894 '1H chemical shifts' 781 4894 '31P chemical shifts' 4 4894 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2012-11-07 2000-11-07 update BMRB 'delete of outlier: 42 PHE HA 122.0' 4894 1 . . 2000-12-06 2000-11-07 original author 'original release' 4894 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1EKZ 'BMRB Entry Tracking System' 4894 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4894 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 20164467 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'RNA recognition by a staufen double-stranded RNA-binding domain' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'EMBO J.' _Citation.Journal_name_full . _Citation.Journal_volume 19 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 997 _Citation.Page_last 1009 _Citation.Year 2000 _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 A. Ramos . . . 4894 1 2 S. Grunert . . . 4894 1 3 J. Adams . . . 4894 1 4 D. Micklem . R. . 4894 1 5 M. Proctor . R. . 4894 1 6 S. Freund . . . 4894 1 7 M. Bycroft . . . 4894 1 8 D. 'St Johnston' . . . 4894 1 9 G. Varani . . . 4894 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Drosophila 4894 1 'NMR structure' 4894 1 'protein dsRBD' 4894 1 protein/RNA 4894 1 'RNA hairpin' 4894 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_staufen _Assembly.Sf_category assembly _Assembly.Sf_framecode staufen _Assembly.Entry_ID 4894 _Assembly.ID 1 _Assembly.Name 'MATERNAL EFFECT PROTEIN (STAUFEN)/RNA COMPLEX' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4894 1 stop_ 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 dsRBD3 1 $dsRBD3 . . . native . . . . . 4894 1 2 RNA2 2 $RNA2 . . . native . . . . . 4894 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1EKZA . 'Chain A, Nmr Structure Of The Complex Between The Third Dsrbd From Drosophila Staufen And A Rna Hairpin' . . . . 4894 1 . PDB 1STU . 'Double Stranded Rna Binding Domain' . . . . 4894 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'MATERNAL EFFECT PROTEIN (STAUFEN)/RNA COMPLEX' system 4894 1 staufen abbreviation 4894 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_dsRBD3 _Entity.Sf_category entity _Entity.Sf_framecode dsRBD3 _Entity.Entry_ID 4894 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'STAUFEN DOUBLE-STRANDED RNA BINDING DOMAIN' _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 ; GSMDEGDKKSPISQVHEIGI KRNMTVHFKVLREEGPAHMK NFITACIVGSIVTEGEGNGK KVSKKRAAEKMLVELQKLPP LTPTKEFIVD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 90 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _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 no PDB 1EKZ . "Nmr Structure Of The Complex Between The Third Dsrbd From Drosophila Staufen And A Rna Hairpin" . . . . . 84.44 76 100.00 100.00 3.59e-46 . . . . 4894 1 no PDB 1STU . "Double Stranded Rna Binding Domain" . . . . . 75.56 68 100.00 100.00 6.72e-40 . . . . 4894 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'STAUFEN DOUBLE-STRANDED RNA BINDING DOMAIN' common 4894 1 'staufen dsRBD3' abbreviation 4894 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 4894 1 2 . SER . 4894 1 3 . MET . 4894 1 4 . ASP . 4894 1 5 . GLU . 4894 1 6 . GLY . 4894 1 7 . ASP . 4894 1 8 . LYS . 4894 1 9 . LYS . 4894 1 10 . SER . 4894 1 11 . PRO . 4894 1 12 . ILE . 4894 1 13 . SER . 4894 1 14 . GLN . 4894 1 15 . VAL . 4894 1 16 . HIS . 4894 1 17 . GLU . 4894 1 18 . ILE . 4894 1 19 . GLY . 4894 1 20 . ILE . 4894 1 21 . LYS . 4894 1 22 . ARG . 4894 1 23 . ASN . 4894 1 24 . MET . 4894 1 25 . THR . 4894 1 26 . VAL . 4894 1 27 . HIS . 4894 1 28 . PHE . 4894 1 29 . LYS . 4894 1 30 . VAL . 4894 1 31 . LEU . 4894 1 32 . ARG . 4894 1 33 . GLU . 4894 1 34 . GLU . 4894 1 35 . GLY . 4894 1 36 . PRO . 4894 1 37 . ALA . 4894 1 38 . HIS . 4894 1 39 . MET . 4894 1 40 . LYS . 4894 1 41 . ASN . 4894 1 42 . PHE . 4894 1 43 . ILE . 4894 1 44 . THR . 4894 1 45 . ALA . 4894 1 46 . CYS . 4894 1 47 . ILE . 4894 1 48 . VAL . 4894 1 49 . GLY . 4894 1 50 . SER . 4894 1 51 . ILE . 4894 1 52 . VAL . 4894 1 53 . THR . 4894 1 54 . GLU . 4894 1 55 . GLY . 4894 1 56 . GLU . 4894 1 57 . GLY . 4894 1 58 . ASN . 4894 1 59 . GLY . 4894 1 60 . LYS . 4894 1 61 . LYS . 4894 1 62 . VAL . 4894 1 63 . SER . 4894 1 64 . LYS . 4894 1 65 . LYS . 4894 1 66 . ARG . 4894 1 67 . ALA . 4894 1 68 . ALA . 4894 1 69 . GLU . 4894 1 70 . LYS . 4894 1 71 . MET . 4894 1 72 . LEU . 4894 1 73 . VAL . 4894 1 74 . GLU . 4894 1 75 . LEU . 4894 1 76 . GLN . 4894 1 77 . LYS . 4894 1 78 . LEU . 4894 1 79 . PRO . 4894 1 80 . PRO . 4894 1 81 . LEU . 4894 1 82 . THR . 4894 1 83 . PRO . 4894 1 84 . THR . 4894 1 85 . LYS . 4894 1 86 . GLU . 4894 1 87 . PHE . 4894 1 88 . ILE . 4894 1 89 . VAL . 4894 1 90 . ASP . 4894 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 4894 1 . SER 2 2 4894 1 . MET 3 3 4894 1 . ASP 4 4 4894 1 . GLU 5 5 4894 1 . GLY 6 6 4894 1 . ASP 7 7 4894 1 . LYS 8 8 4894 1 . LYS 9 9 4894 1 . SER 10 10 4894 1 . PRO 11 11 4894 1 . ILE 12 12 4894 1 . SER 13 13 4894 1 . GLN 14 14 4894 1 . VAL 15 15 4894 1 . HIS 16 16 4894 1 . GLU 17 17 4894 1 . ILE 18 18 4894 1 . GLY 19 19 4894 1 . ILE 20 20 4894 1 . LYS 21 21 4894 1 . ARG 22 22 4894 1 . ASN 23 23 4894 1 . MET 24 24 4894 1 . THR 25 25 4894 1 . VAL 26 26 4894 1 . HIS 27 27 4894 1 . PHE 28 28 4894 1 . LYS 29 29 4894 1 . VAL 30 30 4894 1 . LEU 31 31 4894 1 . ARG 32 32 4894 1 . GLU 33 33 4894 1 . GLU 34 34 4894 1 . GLY 35 35 4894 1 . PRO 36 36 4894 1 . ALA 37 37 4894 1 . HIS 38 38 4894 1 . MET 39 39 4894 1 . LYS 40 40 4894 1 . ASN 41 41 4894 1 . PHE 42 42 4894 1 . ILE 43 43 4894 1 . THR 44 44 4894 1 . ALA 45 45 4894 1 . CYS 46 46 4894 1 . ILE 47 47 4894 1 . VAL 48 48 4894 1 . GLY 49 49 4894 1 . SER 50 50 4894 1 . ILE 51 51 4894 1 . VAL 52 52 4894 1 . THR 53 53 4894 1 . GLU 54 54 4894 1 . GLY 55 55 4894 1 . GLU 56 56 4894 1 . GLY 57 57 4894 1 . ASN 58 58 4894 1 . GLY 59 59 4894 1 . LYS 60 60 4894 1 . LYS 61 61 4894 1 . VAL 62 62 4894 1 . SER 63 63 4894 1 . LYS 64 64 4894 1 . LYS 65 65 4894 1 . ARG 66 66 4894 1 . ALA 67 67 4894 1 . ALA 68 68 4894 1 . GLU 69 69 4894 1 . LYS 70 70 4894 1 . MET 71 71 4894 1 . LEU 72 72 4894 1 . VAL 73 73 4894 1 . GLU 74 74 4894 1 . LEU 75 75 4894 1 . GLN 76 76 4894 1 . LYS 77 77 4894 1 . LEU 78 78 4894 1 . PRO 79 79 4894 1 . PRO 80 80 4894 1 . LEU 81 81 4894 1 . THR 82 82 4894 1 . PRO 83 83 4894 1 . THR 84 84 4894 1 . LYS 85 85 4894 1 . GLU 86 86 4894 1 . PHE 87 87 4894 1 . ILE 88 88 4894 1 . VAL 89 89 4894 1 . ASP 90 90 4894 1 stop_ save_ save_RNA2 _Entity.Sf_category entity _Entity.Sf_framecode RNA2 _Entity.Entry_ID 4894 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'RNA hairpin' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GGACAGCUGUCCCUUCGGGG ACAGCUGUCC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 30 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID RNA2 abbreviation 4894 2 'RNA hairpin' common 4894 2 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 . G . 4894 2 2 . G . 4894 2 3 . A . 4894 2 4 . C . 4894 2 5 . A . 4894 2 6 . G . 4894 2 7 . C . 4894 2 8 . U . 4894 2 9 . G . 4894 2 10 . U . 4894 2 11 . C . 4894 2 12 . C . 4894 2 13 . C . 4894 2 14 . U . 4894 2 15 . U . 4894 2 16 . C . 4894 2 17 . G . 4894 2 18 . G . 4894 2 19 . G . 4894 2 20 . G . 4894 2 21 . A . 4894 2 22 . C . 4894 2 23 . A . 4894 2 24 . G . 4894 2 25 . C . 4894 2 26 . U . 4894 2 27 . G . 4894 2 28 . U . 4894 2 29 . C . 4894 2 30 . C . 4894 2 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 . G 1 1 4894 2 . G 2 2 4894 2 . A 3 3 4894 2 . C 4 4 4894 2 . A 5 5 4894 2 . G 6 6 4894 2 . C 7 7 4894 2 . U 8 8 4894 2 . G 9 9 4894 2 . U 10 10 4894 2 . C 11 11 4894 2 . C 12 12 4894 2 . C 13 13 4894 2 . U 14 14 4894 2 . U 15 15 4894 2 . C 16 16 4894 2 . G 17 17 4894 2 . G 18 18 4894 2 . G 19 19 4894 2 . G 20 20 4894 2 . A 21 21 4894 2 . C 22 22 4894 2 . A 23 23 4894 2 . G 24 24 4894 2 . C 25 25 4894 2 . U 26 26 4894 2 . G 27 27 4894 2 . U 28 28 4894 2 . C 29 29 4894 2 . C 30 30 4894 2 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 4894 _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 $dsRBD3 . 7227 . . 'Drosophila melanogaster' 'fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . . . . . . . . . . . 4894 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 4894 _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 $dsRBD3 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli . . . . . . . . . . . . . . . . . . . . . . . 4894 1 2 2 $RNA2 . 'enzymatic semisynthesis' 'Escherichia coli' 'E. coli' . . Escherichia coli . . . . . . . . . . . . . . . . . . . . 'T7 synthesis' . . 4894 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4894 _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 'STAUFEN DOUBLE-STRANDED RNA BINDING DOMAIN' . . . 1 $dsRBD3 . . . . . mM . . . . 4894 1 2 'RNA hairpin' . . . 2 $RNA2 . . . . . mM . . . . 4894 1 stop_ save_ ####################### # Sample conditions # ####################### save_EX-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode EX-cond_1 _Sample_condition_list.Entry_ID 4894 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.8 0.2 n/a 4894 1 temperature 300 0.1 K 4894 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 4894 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 4894 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 unknown unknown . 0 'spectrometer information not available' . . 4894 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 4894 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4894 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 'UUCG RNA tetraloop' aromatic . . . . ppm 105.1 internal direct . internal spherical perpendicular_to_Bo . . . . . . 4894 1 H 1 'UUCG RNA tetraloop' 'methylene protons' . . . . ppm 2.78 internal direct . internal spherical perpendicular_to_Bo . . . . . . 4894 1 N 15 'UUCG RNA tetraloop' aromatic . . . . ppm 144.8 internal direct . internal spherical parallel_to_Bo . . . . . . 4894 1 P 31 'UUCG RNA tetraloop' phosphorous . . . . ppm -3.60 internal direct . internal spherical parallel_to_Bo . . . . . . 4894 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_chemical_shifts_set1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shifts_set1 _Assigned_chem_shift_list.Entry_ID 4894 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $EX-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 4894 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 3 3 MET HA H 1 4.57 . . . . . . . . . . . 4894 1 2 . 1 1 3 3 MET HB2 H 1 2.18 . . . . . . . . . . . 4894 1 3 . 1 1 3 3 MET HB3 H 1 2.07 . . . . . . . . . . . 4894 1 4 . 1 1 3 3 MET HG2 H 1 2.66 . . . . . . . . . . . 4894 1 5 . 1 1 3 3 MET HG3 H 1 2.58 . . . . . . . . . . . 4894 1 6 . 1 1 3 3 MET CB C 13 31.0 . . . . . . . . . . . 4894 1 7 . 1 1 6 6 GLY H H 1 8.50 . . . . . . . . . . . 4894 1 8 . 1 1 6 6 GLY HA2 H 1 3.97 . . 1 . . . . . . . . 4894 1 9 . 1 1 6 6 GLY HA3 H 1 3.97 . . 1 . . . . . . . . 4894 1 10 . 1 1 6 6 GLY CA C 13 44.0 . . . . . . . . . . . 4894 1 11 . 1 1 6 6 GLY N N 15 108.9 . . . . . . . . . . . 4894 1 12 . 1 1 12 12 ILE H H 1 7.79 . . . . . . . . . . . 4894 1 13 . 1 1 12 12 ILE HA H 1 3.56 . . . . . . . . . . . 4894 1 14 . 1 1 12 12 ILE HB H 1 2.43 . . . . . . . . . . . 4894 1 15 . 1 1 12 12 ILE HG12 H 1 1.67 . . 1 . . . . . . . . 4894 1 16 . 1 1 12 12 ILE HG13 H 1 1.67 . . 1 . . . . . . . . 4894 1 17 . 1 1 12 12 ILE HG21 H 1 1.00 . . . . . . . . . . . 4894 1 18 . 1 1 12 12 ILE HG22 H 1 1.00 . . . . . . . . . . . 4894 1 19 . 1 1 12 12 ILE HG23 H 1 1.00 . . . . . . . . . . . 4894 1 20 . 1 1 12 12 ILE HD11 H 1 0.78 . . . . . . . . . . . 4894 1 21 . 1 1 12 12 ILE HD12 H 1 0.78 . . . . . . . . . . . 4894 1 22 . 1 1 12 12 ILE HD13 H 1 0.78 . . . . . . . . . . . 4894 1 23 . 1 1 12 12 ILE CA C 13 64.5 . . . . . . . . . . . 4894 1 24 . 1 1 12 12 ILE CD1 C 13 12.9 . . . . . . . . . . . 4894 1 25 . 1 1 12 12 ILE N N 15 117.7 . . . . . . . . . . . 4894 1 26 . 1 1 13 13 SER H H 1 7.05 . . . . . . . . . . . 4894 1 27 . 1 1 13 13 SER HA H 1 4.53 . . . . . . . . . . . 4894 1 28 . 1 1 13 13 SER HB2 H 1 4.09 . . 1 . . . . . . . . 4894 1 29 . 1 1 13 13 SER HB3 H 1 4.09 . . 1 . . . . . . . . 4894 1 30 . 1 1 13 13 SER CA C 13 60.0 . . . . . . . . . . . 4894 1 31 . 1 1 13 13 SER N N 15 114.0 . . . . . . . . . . . 4894 1 32 . 1 1 14 14 GLN H H 1 8.10 . . . . . . . . . . . 4894 1 33 . 1 1 14 14 GLN HA H 1 3.48 . . . . . . . . . . . 4894 1 34 . 1 1 14 14 GLN HB2 H 1 2.25 . . 1 . . . . . . . . 4894 1 35 . 1 1 14 14 GLN HB3 H 1 2.25 . . 1 . . . . . . . . 4894 1 36 . 1 1 14 14 GLN HE21 H 1 6.98 . . . . . . . . . . . 4894 1 37 . 1 1 14 14 GLN HE22 H 1 7.06 . . . . . . . . . . . 4894 1 38 . 1 1 14 14 GLN CA C 13 4.10 . . . . . . . . . . . 4894 1 39 . 1 1 14 14 GLN N N 15 118.6 . . 5 . . . . . . . . 4894 1 40 . 1 1 14 14 GLN NE2 N 15 111.1 . . . . . . . . . . . 4894 1 41 . 1 1 15 15 VAL H H 1 8.08 . . . . . . . . . . . 4894 1 42 . 1 1 15 15 VAL HA H 1 3.48 . . . . . . . . . . . 4894 1 43 . 1 1 15 15 VAL HB H 1 2.25 . . . . . . . . . . . 4894 1 44 . 1 1 15 15 VAL HG11 H 1 1.16 . . . . . . . . . . . 4894 1 45 . 1 1 15 15 VAL HG12 H 1 1.16 . . . . . . . . . . . 4894 1 46 . 1 1 15 15 VAL HG13 H 1 1.16 . . . . . . . . . . . 4894 1 47 . 1 1 15 15 VAL HG21 H 1 0.74 . . . . . . . . . . . 4894 1 48 . 1 1 15 15 VAL HG22 H 1 0.74 . . . . . . . . . . . 4894 1 49 . 1 1 15 15 VAL HG23 H 1 0.74 . . . . . . . . . . . 4894 1 50 . 1 1 15 15 VAL CA C 13 66.3 . . . . . . . . . . . 4894 1 51 . 1 1 15 15 VAL CB C 13 29.9 . . . . . . . . . . . 4894 1 52 . 1 1 15 15 VAL CG1 C 13 24.5 . . . . . . . . . . . 4894 1 53 . 1 1 15 15 VAL CG2 C 13 22.2 . . . . . . . . . . . 4894 1 54 . 1 1 15 15 VAL N N 15 118.6 . . 5 . . . . . . . . 4894 1 55 . 1 1 16 16 HIS H H 1 7.93 . . . . . . . . . . . 4894 1 56 . 1 1 16 16 HIS HA H 1 4.32 . . . . . . . . . . . 4894 1 57 . 1 1 16 16 HIS HB2 H 1 3.27 . . 2 . . . . . . . . 4894 1 58 . 1 1 16 16 HIS HB3 H 1 3.14 . . 2 . . . . . . . . 4894 1 59 . 1 1 16 16 HIS HD2 H 1 7.05 . . . . . . . . . . . 4894 1 60 . 1 1 16 16 HIS CD2 C 13 117.4 . . . . . . . . . . . 4894 1 61 . 1 1 17 17 GLU HA H 1 4.30 . . . . . . . . . . . 4894 1 62 . 1 1 17 17 GLU HB2 H 1 2.30 . . . . . . . . . . . 4894 1 63 . 1 1 17 17 GLU CA C 13 58.2 . . . . . . . . . . . 4894 1 64 . 1 1 18 18 ILE H H 1 8.26 . . . . . . . . . . . 4894 1 65 . 1 1 18 18 ILE HA H 1 3.66 . . . . . . . . . . . 4894 1 66 . 1 1 18 18 ILE HB H 1 1.78 . . . . . . . . . . . 4894 1 67 . 1 1 18 18 ILE HG21 H 1 0.93 . . . . . . . . . . . 4894 1 68 . 1 1 18 18 ILE HG22 H 1 0.93 . . . . . . . . . . . 4894 1 69 . 1 1 18 18 ILE HG23 H 1 0.93 . . . . . . . . . . . 4894 1 70 . 1 1 18 18 ILE HD11 H 1 0.83 . . . . . . . . . . . 4894 1 71 . 1 1 18 18 ILE HD12 H 1 0.83 . . . . . . . . . . . 4894 1 72 . 1 1 18 18 ILE HD13 H 1 0.83 . . . . . . . . . . . 4894 1 73 . 1 1 18 18 ILE CA C 13 64.1 . . . . . . . . . . . 4894 1 74 . 1 1 18 18 ILE N N 15 120.2 . . . . . . . . . . . 4894 1 75 . 1 1 19 19 GLY H H 1 8.70 . . . . . . . . . . . 4894 1 76 . 1 1 19 19 GLY HA2 H 1 3.79 . . 2 . . . . . . . . 4894 1 77 . 1 1 19 19 GLY HA3 H 1 3.53 . . 2 . . . . . . . . 4894 1 78 . 1 1 19 19 GLY CA C 13 46.4 . . . . . . . . . . . 4894 1 79 . 1 1 19 19 GLY N N 15 106.5 . . . . . . . . . . . 4894 1 80 . 1 1 20 20 ILE H H 1 8.26 . . . . . . . . . . . 4894 1 81 . 1 1 20 20 ILE HA H 1 3.92 . . . . . . . . . . . 4894 1 82 . 1 1 20 20 ILE HD11 H 1 0.92 . . . . . . . . . . . 4894 1 83 . 1 1 20 20 ILE HD12 H 1 0.92 . . . . . . . . . . . 4894 1 84 . 1 1 20 20 ILE HD13 H 1 0.92 . . . . . . . . . . . 4894 1 85 . 1 1 20 20 ILE CA C 13 63.1 . . . . . . . . . . . 4894 1 86 . 1 1 21 21 LYS H H 1 8.03 . . . . . . . . . . . 4894 1 87 . 1 1 21 21 LYS HA H 1 4.12 . . . . . . . . . . . 4894 1 88 . 1 1 21 21 LYS HB2 H 1 1.78 . . 1 . . . . . . . . 4894 1 89 . 1 1 21 21 LYS HB3 H 1 1.78 . . 1 . . . . . . . . 4894 1 90 . 1 1 21 21 LYS HG2 H 1 2.08 . . 2 . . . . . . . . 4894 1 91 . 1 1 21 21 LYS HG3 H 1 1.93 . . 2 . . . . . . . . 4894 1 92 . 1 1 21 21 LYS CA C 13 57.8 . . . . . . . . . . . 4894 1 93 . 1 1 21 21 LYS N N 15 120.6 . . . . . . . . . . . 4894 1 94 . 1 1 22 22 ARG H H 1 8.26 . . . . . . . . . . . 4894 1 95 . 1 1 22 22 ARG HA H 1 4.38 . . . . . . . . . . . 4894 1 96 . 1 1 22 22 ARG HB2 H 1 1.78 . . 1 . . . . . . . . 4894 1 97 . 1 1 22 22 ARG HB3 H 1 1.78 . . 1 . . . . . . . . 4894 1 98 . 1 1 22 22 ARG HG2 H 1 1.57 . . 1 . . . . . . . . 4894 1 99 . 1 1 22 22 ARG HG3 H 1 1.57 . . 1 . . . . . . . . 4894 1 100 . 1 1 22 22 ARG HD2 H 1 3.13 . . 1 . . . . . . . . 4894 1 101 . 1 1 22 22 ARG HD3 H 1 3.13 . . 1 . . . . . . . . 4894 1 102 . 1 1 22 22 ARG HE H 1 7.34 . . . . . . . . . . . 4894 1 103 . 1 1 22 22 ARG CG C 13 24.8 . . . . . . . . . . . 4894 1 104 . 1 1 22 22 ARG CD C 13 41.9 . . . . . . . . . . . 4894 1 105 . 1 1 22 22 ARG N N 15 114.0 . . . . . . . . . . . 4894 1 106 . 1 1 22 22 ARG NE N 15 82.4 . . . . . . . . . . . 4894 1 107 . 1 1 23 23 ASN H H 1 8.00 . . . . . . . . . . . 4894 1 108 . 1 1 23 23 ASN HA H 1 4.42 . . . . . . . . . . . 4894 1 109 . 1 1 23 23 ASN HB2 H 1 3.20 . . 2 . . . . . . . . 4894 1 110 . 1 1 23 23 ASN HB3 H 1 2.73 . . 2 . . . . . . . . 4894 1 111 . 1 1 23 23 ASN HD21 H 1 7.54 . . 2 . . . . . . . . 4894 1 112 . 1 1 23 23 ASN HD22 H 1 6.82 . . 2 . . . . . . . . 4894 1 113 . 1 1 23 23 ASN CA C 13 52.8 . . . . . . . . . . . 4894 1 114 . 1 1 23 23 ASN N N 15 117.8 . . . . . . . . . . . 4894 1 115 . 1 1 23 23 ASN ND2 N 15 111.6 . . . . . . . . . . . 4894 1 116 . 1 1 24 24 MET H H 1 8.91 . . . . . . . . . . . 4894 1 117 . 1 1 24 24 MET HA H 1 4.72 . . . . . . . . . . . 4894 1 118 . 1 1 24 24 MET HB2 H 1 1.93 . . 2 . . . . . . . . 4894 1 119 . 1 1 24 24 MET HB3 H 1 1.49 . . 2 . . . . . . . . 4894 1 120 . 1 1 24 24 MET HG2 H 1 2.48 . . 1 . . . . . . . . 4894 1 121 . 1 1 24 24 MET HG3 H 1 2.48 . . 1 . . . . . . . . 4894 1 122 . 1 1 24 24 MET HE1 H 1 2.07 . . . . . . . . . . . 4894 1 123 . 1 1 24 24 MET HE2 H 1 2.07 . . . . . . . . . . . 4894 1 124 . 1 1 24 24 MET HE3 H 1 2.07 . . . . . . . . . . . 4894 1 125 . 1 1 24 24 MET CA C 13 52.9 . . . . . . . . . . . 4894 1 126 . 1 1 24 24 MET CG C 13 16.0 . . . . . . . . . . . 4894 1 127 . 1 1 24 24 MET N N 15 117.3 . . . . . . . . . . . 4894 1 128 . 1 1 25 25 THR H H 1 8.42 . . . . . . . . . . . 4894 1 129 . 1 1 25 25 THR HA H 1 4.08 . . . . . . . . . . . 4894 1 130 . 1 1 25 25 THR HB H 1 4.16 . . . . . . . . . . . 4894 1 131 . 1 1 25 25 THR HG21 H 1 1.21 . . . . . . . . . . . 4894 1 132 . 1 1 25 25 THR HG22 H 1 1.21 . . . . . . . . . . . 4894 1 133 . 1 1 25 25 THR HG23 H 1 1.21 . . . . . . . . . . . 4894 1 134 . 1 1 25 25 THR CA C 13 61.4 . . . . . . . . . . . 4894 1 135 . 1 1 25 25 THR N N 15 116.4 . . . . . . . . . . . 4894 1 136 . 1 1 26 26 VAL H H 1 8.24 . . . . . . . . . . . 4894 1 137 . 1 1 26 26 VAL HA H 1 4.73 . . . . . . . . . . . 4894 1 138 . 1 1 26 26 VAL HB H 1 1.91 . . . . . . . . . . . 4894 1 139 . 1 1 26 26 VAL HG21 H 1 1.21 . . . . . . . . . . . 4894 1 140 . 1 1 26 26 VAL HG22 H 1 1.21 . . . . . . . . . . . 4894 1 141 . 1 1 26 26 VAL HG23 H 1 1.21 . . . . . . . . . . . 4894 1 142 . 1 1 26 26 VAL CA C 13 60.0 . . . . . . . . . . . 4894 1 143 . 1 1 26 26 VAL CB C 13 32.8 . . . . . . . . . . . 4894 1 144 . 1 1 26 26 VAL N N 15 123.5 . . . . . . . . . . . 4894 1 145 . 1 1 27 27 HIS H H 1 9.05 . . . . . . . . . . . 4894 1 146 . 1 1 27 27 HIS HA H 1 5.01 . . . . . . . . . . . 4894 1 147 . 1 1 27 27 HIS HB2 H 1 3.16 . . 2 . . . . . . . . 4894 1 148 . 1 1 27 27 HIS HB3 H 1 2.96 . . 2 . . . . . . . . 4894 1 149 . 1 1 27 27 HIS HD2 H 1 7.05 . . . . . . . . . . . 4894 1 150 . 1 1 27 27 HIS CD2 C 13 119.8 . . . . . . . . . . . 4894 1 151 . 1 1 27 27 HIS N N 15 124.2 . . . . . . . . . . . 4894 1 152 . 1 1 28 28 PHE H H 1 8.80 . . . . . . . . . . . 4894 1 153 . 1 1 28 28 PHE HA H 1 5.68 . . . . . . . . . . . 4894 1 154 . 1 1 28 28 PHE HB2 H 1 3.01 . . 2 . . . . . . . . 4894 1 155 . 1 1 28 28 PHE HB3 H 1 2.72 . . 2 . . . . . . . . 4894 1 156 . 1 1 28 28 PHE HD1 H 1 7.20 . . 1 . . . . . . . . 4894 1 157 . 1 1 28 28 PHE HD2 H 1 7.20 . . 1 . . . . . . . . 4894 1 158 . 1 1 28 28 PHE HE1 H 1 7.08 . . 1 . . . . . . . . 4894 1 159 . 1 1 28 28 PHE HE2 H 1 7.08 . . 1 . . . . . . . . 4894 1 160 . 1 1 28 28 PHE HZ H 1 6.98 . . . . . . . . . . . 4894 1 161 . 1 1 28 28 PHE CA C 13 55.0 . . . . . . . . . . . 4894 1 162 . 1 1 28 28 PHE CE1 C 13 131.0 . . 1 . . . . . . . . 4894 1 163 . 1 1 28 28 PHE CE2 C 13 131.0 . . 1 . . . . . . . . 4894 1 164 . 1 1 28 28 PHE CZ C 13 128.7 . . . . . . . . . . . 4894 1 165 . 1 1 28 28 PHE N N 15 118.9 . . . . . . . . . . . 4894 1 166 . 1 1 29 29 LYS H H 1 8.94 . . . . . . . . . . . 4894 1 167 . 1 1 29 29 LYS HA H 1 4.77 . . . . . . . . . . . 4894 1 168 . 1 1 29 29 LYS HB2 H 1 1.78 . . 2 . . . . . . . . 4894 1 169 . 1 1 29 29 LYS HB3 H 1 1.65 . . 2 . . . . . . . . 4894 1 170 . 1 1 29 29 LYS CA C 13 53.3 . . . . . . . . . . . 4894 1 171 . 1 1 29 29 LYS N N 15 119.6 . . . . . . . . . . . 4894 1 172 . 1 1 30 30 VAL H H 1 9.18 . . . . . . . . . . . 4894 1 173 . 1 1 30 30 VAL HA H 1 4.37 . . . . . . . . . . . 4894 1 174 . 1 1 30 30 VAL HB H 1 2.15 . . . . . . . . . . . 4894 1 175 . 1 1 30 30 VAL HG11 H 1 1.05 . . 1 . . . . . . . . 4894 1 176 . 1 1 30 30 VAL HG12 H 1 1.05 . . 1 . . . . . . . . 4894 1 177 . 1 1 30 30 VAL HG13 H 1 1.05 . . 1 . . . . . . . . 4894 1 178 . 1 1 30 30 VAL HG21 H 1 1.05 . . 1 . . . . . . . . 4894 1 179 . 1 1 30 30 VAL HG22 H 1 1.05 . . 1 . . . . . . . . 4894 1 180 . 1 1 30 30 VAL HG23 H 1 1.05 . . 1 . . . . . . . . 4894 1 181 . 1 1 30 30 VAL CA C 13 62.7 . . . . . . . . . . . 4894 1 182 . 1 1 30 30 VAL CB C 13 29.5 . . . . . . . . . . . 4894 1 183 . 1 1 30 30 VAL N N 15 126.4 . . . . . . . . . . . 4894 1 184 . 1 1 31 31 LEU H H 1 9.57 . . . . . . . . . . . 4894 1 185 . 1 1 31 31 LEU HA H 1 4.35 . . . . . . . . . . . 4894 1 186 . 1 1 31 31 LEU HB2 H 1 1.60 . . 1 . . . . . . . . 4894 1 187 . 1 1 31 31 LEU HB3 H 1 1.60 . . 1 . . . . . . . . 4894 1 188 . 1 1 31 31 LEU HG H 1 1.72 . . . . . . . . . . . 4894 1 189 . 1 1 31 31 LEU HD11 H 1 0.92 . . 2 . . . . . . . . 4894 1 190 . 1 1 31 31 LEU HD12 H 1 0.92 . . 2 . . . . . . . . 4894 1 191 . 1 1 31 31 LEU HD13 H 1 0.92 . . 2 . . . . . . . . 4894 1 192 . 1 1 31 31 LEU HD21 H 1 0.84 . . 2 . . . . . . . . 4894 1 193 . 1 1 31 31 LEU HD22 H 1 0.84 . . 2 . . . . . . . . 4894 1 194 . 1 1 31 31 LEU HD23 H 1 0.84 . . 2 . . . . . . . . 4894 1 195 . 1 1 31 31 LEU N N 15 130.0 . . . . . . . . . . . 4894 1 196 . 1 1 32 32 ARG H H 1 7.78 . . . . . . . . . . . 4894 1 197 . 1 1 32 32 ARG HA H 1 4.60 . . . . . . . . . . . 4894 1 198 . 1 1 32 32 ARG HB2 H 1 1.75 . . 2 . . . . . . . . 4894 1 199 . 1 1 32 32 ARG HB3 H 1 1.52 . . 2 . . . . . . . . 4894 1 200 . 1 1 32 32 ARG HG2 H 1 1.41 . . 1 . . . . . . . . 4894 1 201 . 1 1 32 32 ARG HG3 H 1 1.41 . . 1 . . . . . . . . 4894 1 202 . 1 1 32 32 ARG HD2 H 1 3.19 . . 1 . . . . . . . . 4894 1 203 . 1 1 32 32 ARG HD3 H 1 3.19 . . 1 . . . . . . . . 4894 1 204 . 1 1 32 32 ARG HE H 1 7.53 . . . . . . . . . . . 4894 1 205 . 1 1 32 32 ARG HH11 H 1 6.82 . . 1 . . . . . . . . 4894 1 206 . 1 1 32 32 ARG HH12 H 1 6.82 . . 1 . . . . . . . . 4894 1 207 . 1 1 32 32 ARG HH21 H 1 6.90 . . 1 . . . . . . . . 4894 1 208 . 1 1 32 32 ARG HH22 H 1 6.90 . . 1 . . . . . . . . 4894 1 209 . 1 1 32 32 ARG CA C 13 54.0 . . . . . . . . . . . 4894 1 210 . 1 1 32 32 ARG CG C 13 25.8 . . . . . . . . . . . 4894 1 211 . 1 1 32 32 ARG CD C 13 41.8 . . . . . . . . . . . 4894 1 212 . 1 1 32 32 ARG N N 15 113.8 . . . . . . . . . . . 4894 1 213 . 1 1 32 32 ARG NE N 15 83.3 . . . . . . . . . . . 4894 1 214 . 1 1 33 33 GLU H H 1 8.43 . . . . . . . . . . . 4894 1 215 . 1 1 33 33 GLU HA H 1 4.75 . . . . . . . . . . . 4894 1 216 . 1 1 33 33 GLU HB2 H 1 1.91 . . 2 . . . . . . . . 4894 1 217 . 1 1 33 33 GLU HB3 H 1 1.73 . . 2 . . . . . . . . 4894 1 218 . 1 1 33 33 GLU CA C 13 53.0 . . . . . . . . . . . 4894 1 219 . 1 1 33 33 GLU N N 15 122.0 . . . . . . . . . . . 4894 1 220 . 1 1 34 34 GLU H H 1 8.82 . . . . . . . . . . . 4894 1 221 . 1 1 34 34 GLU HA H 1 4.79 . . . . . . . . . . . 4894 1 222 . 1 1 34 34 GLU HB2 H 1 2.17 . . 2 . . . . . . . . 4894 1 223 . 1 1 34 34 GLU HB3 H 1 1.95 . . 2 . . . . . . . . 4894 1 224 . 1 1 34 34 GLU CA C 13 53.2 . . . . . . . . . . . 4894 1 225 . 1 1 34 34 GLU N N 15 122.3 . . . . . . . . . . . 4894 1 226 . 1 1 35 35 GLY H H 1 8.33 . . . . . . . . . . . 4894 1 227 . 1 1 35 35 GLY HA2 H 1 4.60 . . . . . . . . . . . 4894 1 228 . 1 1 35 35 GLY HA3 H 1 3.80 . . . . . . . . . . . 4894 1 229 . 1 1 35 35 GLY CA C 13 41.9 . . . . . . . . . . . 4894 1 230 . 1 1 35 35 GLY N N 15 106.8 . . . . . . . . . . . 4894 1 231 . 1 1 36 36 PRO HA H 1 4.57 . . . . . . . . . . . 4894 1 232 . 1 1 36 36 PRO HB2 H 1 2.32 . . 1 . . . . . . . . 4894 1 233 . 1 1 36 36 PRO HB3 H 1 2.32 . . 1 . . . . . . . . 4894 1 234 . 1 1 36 36 PRO CA C 13 60.6 . . . . . . . . . . . 4894 1 235 . 1 1 37 37 ALA H H 1 8.73 . . . . . . . . . . . 4894 1 236 . 1 1 37 37 ALA HA H 1 3.95 . . . . . . . . . . . 4894 1 237 . 1 1 37 37 ALA HB1 H 1 1.67 . . . . . . . . . . . 4894 1 238 . 1 1 37 37 ALA HB2 H 1 1.67 . . . . . . . . . . . 4894 1 239 . 1 1 37 37 ALA HB3 H 1 1.67 . . . . . . . . . . . 4894 1 240 . 1 1 37 37 ALA CA C 13 54.2 . . . . . . . . . . . 4894 1 241 . 1 1 37 37 ALA CB C 13 16.4 . . . . . . . . . . . 4894 1 242 . 1 1 37 37 ALA N N 15 120.1 . . . . . . . . . . . 4894 1 243 . 1 1 38 38 HIS H H 1 7.99 . . . . . . . . . . . 4894 1 244 . 1 1 38 38 HIS HD2 H 1 7.19 . . . . . . . . . . . 4894 1 245 . 1 1 38 38 HIS CA C 13 54.8 . . . . . . . . . . . 4894 1 246 . 1 1 38 38 HIS CD2 C 13 111.2 . . . . . . . . . . . 4894 1 247 . 1 1 38 38 HIS N N 15 111.3 . . . . . . . . . . . 4894 1 248 . 1 1 39 39 MET H H 1 7.69 . . . . . . . . . . . 4894 1 249 . 1 1 39 39 MET HA H 1 4.62 . . . . . . . . . . . 4894 1 250 . 1 1 39 39 MET HB2 H 1 1.90 . . 2 . . . . . . . . 4894 1 251 . 1 1 39 39 MET HB3 H 1 1.42 . . 2 . . . . . . . . 4894 1 252 . 1 1 39 39 MET HG2 H 1 2.31 . . 1 . . . . . . . . 4894 1 253 . 1 1 39 39 MET HG3 H 1 2.31 . . 1 . . . . . . . . 4894 1 254 . 1 1 39 39 MET HE1 H 1 1.67 . . . . . . . . . . . 4894 1 255 . 1 1 39 39 MET HE2 H 1 1.67 . . . . . . . . . . . 4894 1 256 . 1 1 39 39 MET HE3 H 1 1.67 . . . . . . . . . . . 4894 1 257 . 1 1 39 39 MET CA C 13 53.0 . . . . . . . . . . . 4894 1 258 . 1 1 40 40 LYS H H 1 8.37 . . . . . . . . . . . 4894 1 259 . 1 1 40 40 LYS HA H 1 4.37 . . . . . . . . . . . 4894 1 260 . 1 1 40 40 LYS HB2 H 1 1.82 . . 2 . . . . . . . . 4894 1 261 . 1 1 40 40 LYS HB3 H 1 1.50 . . 2 . . . . . . . . 4894 1 262 . 1 1 40 40 LYS HD2 H 1 3.00 . . 5 . . . . . . . . 4894 1 263 . 1 1 40 40 LYS CA C 13 54.1 . . . . . . . . . . . 4894 1 264 . 1 1 40 40 LYS N N 15 123.1 . . . . . . . . . . . 4894 1 265 . 1 1 41 41 ASN H H 1 8.68 . . . . . . . . . . . 4894 1 266 . 1 1 41 41 ASN HA H 1 5.02 . . . . . . . . . . . 4894 1 267 . 1 1 41 41 ASN HB2 H 1 2.65 . . 2 . . . . . . . . 4894 1 268 . 1 1 41 41 ASN HB3 H 1 2.49 . . 2 . . . . . . . . 4894 1 269 . 1 1 41 41 ASN HD21 H 1 7.54 . . 2 . . . . . . . . 4894 1 270 . 1 1 41 41 ASN HD22 H 1 7.18 . . 2 . . . . . . . . 4894 1 271 . 1 1 41 41 ASN CA C 13 50.9 . . . . . . . . . . . 4894 1 272 . 1 1 41 41 ASN N N 15 118.2 . . . . . . . . . . . 4894 1 273 . 1 1 41 41 ASN ND2 N 15 112.3 . . . . . . . . . . . 4894 1 274 . 1 1 42 42 PHE H H 1 9.19 . . . . . . . . . . . 4894 1 275 . 1 1 42 42 PHE HB2 H 1 2.85 . . 1 . . . . . . . . 4894 1 276 . 1 1 42 42 PHE HB3 H 1 2.85 . . 1 . . . . . . . . 4894 1 277 . 1 1 42 42 PHE HD1 H 1 7.06 . . 1 . . . . . . . . 4894 1 278 . 1 1 42 42 PHE HD2 H 1 7.06 . . 1 . . . . . . . . 4894 1 279 . 1 1 42 42 PHE HE1 H 1 7.50 . . 1 . . . . . . . . 4894 1 280 . 1 1 42 42 PHE HE2 H 1 7.50 . . 1 . . . . . . . . 4894 1 281 . 1 1 42 42 PHE HZ H 1 7.23 . . 3 . . . . . . . . 4894 1 282 . 1 1 42 42 PHE CA C 13 55.9 . . 3 . . . . . . . . 4894 1 283 . 1 1 42 42 PHE N N 15 122.0 . . . . . . . . . . . 4894 1 284 . 1 1 43 43 ILE H H 1 8.87 . . . . . . . . . . . 4894 1 285 . 1 1 43 43 ILE HA H 1 5.15 . . . . . . . . . . . 4894 1 286 . 1 1 43 43 ILE HB H 1 1.86 . . . . . . . . . . . 4894 1 287 . 1 1 43 43 ILE HG12 H 1 1.36 . . 2 . . . . . . . . 4894 1 288 . 1 1 43 43 ILE HG13 H 1 1.28 . . 2 . . . . . . . . 4894 1 289 . 1 1 43 43 ILE HG21 H 1 0.89 . . . . . . . . . . . 4894 1 290 . 1 1 43 43 ILE HG22 H 1 0.89 . . . . . . . . . . . 4894 1 291 . 1 1 43 43 ILE HG23 H 1 0.89 . . . . . . . . . . . 4894 1 292 . 1 1 43 43 ILE HD11 H 1 0.78 . . . . . . . . . . . 4894 1 293 . 1 1 43 43 ILE HD12 H 1 0.78 . . . . . . . . . . . 4894 1 294 . 1 1 43 43 ILE HD13 H 1 0.78 . . . . . . . . . . . 4894 1 295 . 1 1 43 43 ILE CA C 13 58.8 . . . . . . . . . . . 4894 1 296 . 1 1 43 43 ILE CG2 C 13 17.9 . . . . . . . . . . . 4894 1 297 . 1 1 43 43 ILE CD1 C 13 12.5 . . . . . . . . . . . 4894 1 298 . 1 1 43 43 ILE N N 15 125.2 . . . . . . . . . . . 4894 1 299 . 1 1 44 44 THR H H 1 9.19 . . . . . . . . . . . 4894 1 300 . 1 1 44 44 THR HA H 1 5.02 . . . . . . . . . . . 4894 1 301 . 1 1 44 44 THR HB H 1 3.70 . . . . . . . . . . . 4894 1 302 . 1 1 44 44 THR HG21 H 1 1.21 . . 1 . . . . . . . . 4894 1 303 . 1 1 44 44 THR HG22 H 1 1.21 . . 1 . . . . . . . . 4894 1 304 . 1 1 44 44 THR HG23 H 1 1.21 . . 1 . . . . . . . . 4894 1 305 . 1 1 44 44 THR CA C 13 60.2 . . . . . . . . . . . 4894 1 306 . 1 1 44 44 THR CB C 13 69.5 . . . . . . . . . . . 4894 1 307 . 1 1 44 44 THR CG2 C 13 20.0 . . . . . . . . . . . 4894 1 308 . 1 1 44 44 THR N N 15 124.0 . . . . . . . . . . . 4894 1 309 . 1 1 45 45 ALA H H 1 9.62 . . . . . . . . . . . 4894 1 310 . 1 1 45 45 ALA HA H 1 5.57 . . . . . . . . . . . 4894 1 311 . 1 1 45 45 ALA HB1 H 1 1.36 . . . . . . . . . . . 4894 1 312 . 1 1 45 45 ALA HB2 H 1 1.36 . . . . . . . . . . . 4894 1 313 . 1 1 45 45 ALA HB3 H 1 1.36 . . . . . . . . . . . 4894 1 314 . 1 1 45 45 ALA CA C 13 48.6 . . . . . . . . . . . 4894 1 315 . 1 1 45 45 ALA CB C 13 19.2 . . . . . . . . . . . 4894 1 316 . 1 1 45 45 ALA N N 15 126.7 . . . . . . . . . . . 4894 1 317 . 1 1 46 46 CYS H H 1 9.12 . . . . . . . . . . . 4894 1 318 . 1 1 46 46 CYS HA H 1 4.25 . . . . . . . . . . . 4894 1 319 . 1 1 46 46 CYS HB2 H 1 2.67 . . 1 . . . . . . . . 4894 1 320 . 1 1 46 46 CYS HB3 H 1 2.67 . . 1 . . . . . . . . 4894 1 321 . 1 1 46 46 CYS CA C 13 56.2 . . . . . . . . . . . 4894 1 322 . 1 1 46 46 CYS N N 15 122.5 . . . . . . . . . . . 4894 1 323 . 1 1 47 47 ILE H H 1 8.69 . . . . . . . . . . . 4894 1 324 . 1 1 47 47 ILE HA H 1 4.93 . . . . . . . . . . . 4894 1 325 . 1 1 47 47 ILE HB H 1 1.52 . . . . . . . . . . . 4894 1 326 . 1 1 47 47 ILE HG12 H 1 1.36 . . 2 . . . . . . . . 4894 1 327 . 1 1 47 47 ILE HG13 H 1 1.05 . . 2 . . . . . . . . 4894 1 328 . 1 1 47 47 ILE HG21 H 1 0.87 . . . . . . . . . . . 4894 1 329 . 1 1 47 47 ILE HG22 H 1 0.87 . . . . . . . . . . . 4894 1 330 . 1 1 47 47 ILE HG23 H 1 0.87 . . . . . . . . . . . 4894 1 331 . 1 1 47 47 ILE HD11 H 1 0.79 . . . . . . . . . . . 4894 1 332 . 1 1 47 47 ILE HD12 H 1 0.79 . . . . . . . . . . . 4894 1 333 . 1 1 47 47 ILE HD13 H 1 0.79 . . . . . . . . . . . 4894 1 334 . 1 1 47 47 ILE CA C 13 58.9 . . . . . . . . . . . 4894 1 335 . 1 1 47 47 ILE CG2 C 13 18.4 . . . . . . . . . . . 4894 1 336 . 1 1 47 47 ILE CD1 C 13 14.5 . . . . . . . . . . . 4894 1 337 . 1 1 47 47 ILE N N 15 128.7 . . . . . . . . . . . 4894 1 338 . 1 1 48 48 VAL H H 1 8.81 . . . . . . . . . . . 4894 1 339 . 1 1 48 48 VAL HA H 1 4.91 . . . . . . . . . . . 4894 1 340 . 1 1 48 48 VAL HB H 1 2.17 . . . . . . . . . . . 4894 1 341 . 1 1 48 48 VAL HG11 H 1 0.86 . . . . . . . . . . . 4894 1 342 . 1 1 48 48 VAL HG12 H 1 0.86 . . . . . . . . . . . 4894 1 343 . 1 1 48 48 VAL HG13 H 1 0.86 . . . . . . . . . . . 4894 1 344 . 1 1 48 48 VAL HG21 H 1 0.78 . . . . . . . . . . . 4894 1 345 . 1 1 48 48 VAL HG22 H 1 0.78 . . . . . . . . . . . 4894 1 346 . 1 1 48 48 VAL HG23 H 1 0.78 . . . . . . . . . . . 4894 1 347 . 1 1 48 48 VAL CA C 13 59.0 . . . . . . . . . . . 4894 1 348 . 1 1 48 48 VAL CB C 13 32.3 . . . . . . . . . . . 4894 1 349 . 1 1 48 48 VAL CG1 C 13 22.4 . . . . . . . . . . . 4894 1 350 . 1 1 48 48 VAL CG2 C 13 21.4 . . . . . . . . . . . 4894 1 351 . 1 1 48 48 VAL N N 15 128.5 . . . . . . . . . . . 4894 1 352 . 1 1 49 49 GLY H H 1 8.70 . . . . . . . . . . . 4894 1 353 . 1 1 49 49 GLY HA2 H 1 4.09 . . 2 . . . . . . . . 4894 1 354 . 1 1 49 49 GLY HA3 H 1 3.74 . . 2 . . . . . . . . 4894 1 355 . 1 1 49 49 GLY CA C 13 45.9 . . . . . . . . . . . 4894 1 356 . 1 1 49 49 GLY N N 15 113.5 . . . . . . . . . . . 4894 1 357 . 1 1 50 50 SER H H 1 8.74 . . . . . . . . . . . 4894 1 358 . 1 1 50 50 SER HA H 1 4.45 . . . . . . . . . . . 4894 1 359 . 1 1 50 50 SER HB2 H 1 4.04 . . 1 . . . . . . . . 4894 1 360 . 1 1 50 50 SER HB3 H 1 4.04 . . 1 . . . . . . . . 4894 1 361 . 1 1 50 50 SER N N 15 122.0 . . . . . . . . . . . 4894 1 362 . 1 1 51 51 ILE H H 1 8.65 . . . . . . . . . . . 4894 1 363 . 1 1 51 51 ILE HA H 1 4.00 . . . . . . . . . . . 4894 1 364 . 1 1 51 51 ILE HB H 1 1.97 . . . . . . . . . . . 4894 1 365 . 1 1 51 51 ILE HG12 H 1 1.46 . . 1 . . . . . . . . 4894 1 366 . 1 1 51 51 ILE HG13 H 1 1.46 . . 1 . . . . . . . . 4894 1 367 . 1 1 51 51 ILE HG21 H 1 0.97 . . . . . . . . . . . 4894 1 368 . 1 1 51 51 ILE HG22 H 1 0.97 . . . . . . . . . . . 4894 1 369 . 1 1 51 51 ILE HG23 H 1 0.97 . . . . . . . . . . . 4894 1 370 . 1 1 51 51 ILE HD11 H 1 0.86 . . . . . . . . . . . 4894 1 371 . 1 1 51 51 ILE HD12 H 1 0.86 . . . . . . . . . . . 4894 1 372 . 1 1 51 51 ILE HD13 H 1 0.86 . . . . . . . . . . . 4894 1 373 . 1 1 51 51 ILE CA C 13 60.5 . . . . . . . . . . . 4894 1 374 . 1 1 51 51 ILE CG2 C 13 17.5 . . . . . . . . . . . 4894 1 375 . 1 1 51 51 ILE CD1 C 13 13.2 . . . . . . . . . . . 4894 1 376 . 1 1 51 51 ILE N N 15 126.6 . . . . . . . . . . . 4894 1 377 . 1 1 52 52 VAL H H 1 8.13 . . . . . . . . . . . 4894 1 378 . 1 1 52 52 VAL HA H 1 5.36 . . . . . . . . . . . 4894 1 379 . 1 1 52 52 VAL HB H 1 1.86 . . . . . . . . . . . 4894 1 380 . 1 1 52 52 VAL HG11 H 1 0.89 . . 1 . . . . . . . . 4894 1 381 . 1 1 52 52 VAL HG12 H 1 0.89 . . 1 . . . . . . . . 4894 1 382 . 1 1 52 52 VAL HG13 H 1 0.89 . . 1 . . . . . . . . 4894 1 383 . 1 1 52 52 VAL HG21 H 1 0.89 . . 1 . . . . . . . . 4894 1 384 . 1 1 52 52 VAL HG22 H 1 0.89 . . 1 . . . . . . . . 4894 1 385 . 1 1 52 52 VAL HG23 H 1 0.89 . . 1 . . . . . . . . 4894 1 386 . 1 1 52 52 VAL CA C 13 60.2 . . . . . . . . . . . 4894 1 387 . 1 1 52 52 VAL CB C 13 35.5 . . . . . . . . . . . 4894 1 388 . 1 1 52 52 VAL N N 15 124.8 . . . . . . . . . . . 4894 1 389 . 1 1 53 53 THR H H 1 9.31 . . . . . . . . . . . 4894 1 390 . 1 1 53 53 THR HA H 1 4.85 . . . . . . . . . . . 4894 1 391 . 1 1 53 53 THR HB H 1 4.29 . . . . . . . . . . . 4894 1 392 . 1 1 53 53 THR HG21 H 1 1.08 . . 1 . . . . . . . . 4894 1 393 . 1 1 53 53 THR HG22 H 1 1.08 . . 1 . . . . . . . . 4894 1 394 . 1 1 53 53 THR HG23 H 1 1.08 . . 1 . . . . . . . . 4894 1 395 . 1 1 53 53 THR CA C 13 58.4 . . . . . . . . . . . 4894 1 396 . 1 1 53 53 THR CG2 C 13 20.5 . . . . . . . . . . . 4894 1 397 . 1 1 53 53 THR N N 15 117.8 . . . . . . . . . . . 4894 1 398 . 1 1 54 54 GLU H H 1 8.47 . . . . . . . . . . . 4894 1 399 . 1 1 54 54 GLU HA H 1 5.59 . . . . . . . . . . . 4894 1 400 . 1 1 54 54 GLU HB2 H 1 2.22 . . 5 . . . . . . . . 4894 1 401 . 1 1 54 54 GLU HB3 H 1 2.22 . . 5 . . . . . . . . 4894 1 402 . 1 1 54 54 GLU CA C 13 53.1 . . . . . . . . . . . 4894 1 403 . 1 1 54 54 GLU CB C 13 34.8 . . . . . . . . . . . 4894 1 404 . 1 1 54 54 GLU N N 15 116.9 . . . . . . . . . . . 4894 1 405 . 1 1 55 55 GLY H H 1 9.28 . . . . . . . . . . . 4894 1 406 . 1 1 55 55 GLY HA2 H 1 4.68 . . 2 . . . . . . . . 4894 1 407 . 1 1 55 55 GLY HA3 H 1 3.79 . . 2 . . . . . . . . 4894 1 408 . 1 1 55 55 GLY CA C 13 41.8 . . . . . . . . . . . 4894 1 409 . 1 1 55 55 GLY N N 15 108.2 . . . . . . . . . . . 4894 1 410 . 1 1 56 56 GLU H H 1 8.31 . . . . . . . . . . . 4894 1 411 . 1 1 56 56 GLU HA H 1 5.89 . . . . . . . . . . . 4894 1 412 . 1 1 56 56 GLU HB2 H 1 2.25 . . 2 . . . . . . . . 4894 1 413 . 1 1 56 56 GLU HB3 H 1 2.01 . . 2 . . . . . . . . 4894 1 414 . 1 1 56 56 GLU HG2 H 1 2.30 . . 1 . . . . . . . . 4894 1 415 . 1 1 56 56 GLU HG3 H 1 2.30 . . 1 . . . . . . . . 4894 1 416 . 1 1 56 56 GLU CA C 13 52.5 . . . . . . . . . . . 4894 1 417 . 1 1 56 56 GLU CB C 13 31.7 . . . . . . . . . . . 4894 1 418 . 1 1 56 56 GLU CG C 13 36.1 . . . . . . . . . . . 4894 1 419 . 1 1 56 56 GLU N N 15 118.6 . . . . . . . . . . . 4894 1 420 . 1 1 57 57 GLY H H 1 8.31 . . . . . . . . . . . 4894 1 421 . 1 1 57 57 GLY HA2 H 1 4.37 . . 2 . . . . . . . . 4894 1 422 . 1 1 57 57 GLY HA3 H 1 4.09 . . 2 . . . . . . . . 4894 1 423 . 1 1 57 57 GLY CA C 13 44.4 . . . . . . . . . . . 4894 1 424 . 1 1 57 57 GLY N N 15 105.4 . . . . . . . . . . . 4894 1 425 . 1 1 58 58 ASN H H 1 8.88 . . . . . . . . . . . 4894 1 426 . 1 1 58 58 ASN HA H 1 5.26 . . . . . . . . . . . 4894 1 427 . 1 1 58 58 ASN HB2 H 1 3.22 . . 2 . . . . . . . . 4894 1 428 . 1 1 58 58 ASN HB3 H 1 2.97 . . 2 . . . . . . . . 4894 1 429 . 1 1 58 58 ASN N N 15 118.9 . . . . . . . . . . . 4894 1 430 . 1 1 59 59 GLY H H 1 7.29 . . . . . . . . . . . 4894 1 431 . 1 1 59 59 GLY HA2 H 1 4.50 . . 2 . . . . . . . . 4894 1 432 . 1 1 59 59 GLY HA3 H 1 4.08 . . 2 . . . . . . . . 4894 1 433 . 1 1 59 59 GLY CA C 13 43.2 . . . . . . . . . . . 4894 1 434 . 1 1 59 59 GLY N N 15 103.7 . . . . . . . . . . . 4894 1 435 . 1 1 60 60 LYS H H 1 8.18 . . 5 . . . . . . . . 4894 1 436 . 1 1 60 60 LYS HA H 1 4.36 . . 5 . . . . . . . . 4894 1 437 . 1 1 60 60 LYS HB2 H 1 1.78 . . 5 . . . . . . . . 4894 1 438 . 1 1 60 60 LYS HB3 H 1 1.29 . . 5 . . . . . . . . 4894 1 439 . 1 1 60 60 LYS N N 15 121.9 . . 5 . . . . . . . . 4894 1 440 . 1 1 61 61 LYS H H 1 8.98 . . . . . . . . . . . 4894 1 441 . 1 1 61 61 LYS HA H 1 3.90 . . . . . . . . . . . 4894 1 442 . 1 1 61 61 LYS HB2 H 1 1.78 . . 2 . . . . . . . . 4894 1 443 . 1 1 61 61 LYS HB3 H 1 1.46 . . 2 . . . . . . . . 4894 1 444 . 1 1 61 61 LYS CA C 13 58.8 . . . . . . . . . . . 4894 1 445 . 1 1 61 61 LYS N N 15 120.4 . . . . . . . . . . . 4894 1 446 . 1 1 62 62 VAL H H 1 8.18 . . . . . . . . . . . 4894 1 447 . 1 1 62 62 VAL HA H 1 3.90 . . . . . . . . . . . 4894 1 448 . 1 1 62 62 VAL HB H 1 2.04 . . . . . . . . . . . 4894 1 449 . 1 1 62 62 VAL HG11 H 1 1.12 . . 1 . . . . . . . . 4894 1 450 . 1 1 62 62 VAL HG12 H 1 1.12 . . 1 . . . . . . . . 4894 1 451 . 1 1 62 62 VAL HG13 H 1 1.12 . . 1 . . . . . . . . 4894 1 452 . 1 1 62 62 VAL HG21 H 1 1.12 . . 1 . . . . . . . . 4894 1 453 . 1 1 62 62 VAL HG22 H 1 1.12 . . 1 . . . . . . . . 4894 1 454 . 1 1 62 62 VAL HG23 H 1 1.12 . . 1 . . . . . . . . 4894 1 455 . 1 1 62 62 VAL CA C 13 59.1 . . . . . . . . . . . 4894 1 456 . 1 1 62 62 VAL CB C 13 29.7 . . . . . . . . . . . 4894 1 457 . 1 1 62 62 VAL N N 15 118.6 . . . . . . . . . . . 4894 1 458 . 1 1 63 63 SER H H 1 7.48 . . . . . . . . . . . 4894 1 459 . 1 1 63 63 SER HA H 1 3.87 . . . . . . . . . . . 4894 1 460 . 1 1 63 63 SER HB2 H 1 4.06 . . 1 . . . . . . . . 4894 1 461 . 1 1 63 63 SER HB3 H 1 4.06 . . 1 . . . . . . . . 4894 1 462 . 1 1 63 63 SER CA C 13 59.9 . . . . . . . . . . . 4894 1 463 . 1 1 63 63 SER N N 15 114.1 . . . . . . . . . . . 4894 1 464 . 1 1 64 64 LYS H H 1 7.89 . . . . . . . . . . . 4894 1 465 . 1 1 64 64 LYS HA H 1 3.82 . . . . . . . . . . . 4894 1 466 . 1 1 64 64 LYS HB2 H 1 1.94 . . 2 . . . . . . . . 4894 1 467 . 1 1 64 64 LYS HB3 H 1 1.75 . . 2 . . . . . . . . 4894 1 468 . 1 1 64 64 LYS HE2 H 1 2.98 . . 1 . . . . . . . . 4894 1 469 . 1 1 64 64 LYS HE3 H 1 2.98 . . 1 . . . . . . . . 4894 1 470 . 1 1 64 64 LYS CA C 13 58.9 . . . . . . . . . . . 4894 1 471 . 1 1 64 64 LYS N N 15 119.8 . . . . . . . . . . . 4894 1 472 . 1 1 65 65 LYS H H 1 8.41 . . . . . . . . . . . 4894 1 473 . 1 1 65 65 LYS HA H 1 3.75 . . . . . . . . . . . 4894 1 474 . 1 1 65 65 LYS HB2 H 1 2.07 . . 2 . . . . . . . . 4894 1 475 . 1 1 65 65 LYS HB3 H 1 1.76 . . 2 . . . . . . . . 4894 1 476 . 1 1 65 65 LYS HG2 H 1 1.44 . . 1 . . . . . . . . 4894 1 477 . 1 1 65 65 LYS HG3 H 1 1.44 . . 1 . . . . . . . . 4894 1 478 . 1 1 65 65 LYS HE2 H 1 3.03 . . 1 . . . . . . . . 4894 1 479 . 1 1 65 65 LYS HE3 H 1 3.03 . . 1 . . . . . . . . 4894 1 480 . 1 1 65 65 LYS CA C 13 59.2 . . . . . . . . . . . 4894 1 481 . 1 1 65 65 LYS CB C 13 30.8 . . . . . . . . . . . 4894 1 482 . 1 1 65 65 LYS N N 15 119.2 . . . . . . . . . . . 4894 1 483 . 1 1 66 66 ARG H H 1 8.34 . . . . . . . . . . . 4894 1 484 . 1 1 66 66 ARG HA H 1 4.30 . . . . . . . . . . . 4894 1 485 . 1 1 66 66 ARG HB2 H 1 2.07 . . 2 . . . . . . . . 4894 1 486 . 1 1 66 66 ARG HB3 H 1 1.98 . . 2 . . . . . . . . 4894 1 487 . 1 1 66 66 ARG HD2 H 1 3.40 . . 1 . . . . . . . . 4894 1 488 . 1 1 66 66 ARG HD3 H 1 3.40 . . 1 . . . . . . . . 4894 1 489 . 1 1 66 66 ARG HE H 1 7.54 . . . . . . . . . . . 4894 1 490 . 1 1 66 66 ARG HH11 H 1 6.66 . . 1 . . . . . . . . 4894 1 491 . 1 1 66 66 ARG HH12 H 1 6.66 . . 1 . . . . . . . . 4894 1 492 . 1 1 66 66 ARG HH21 H 1 6.66 . . 1 . . . . . . . . 4894 1 493 . 1 1 66 66 ARG HH22 H 1 6.66 . . 1 . . . . . . . . 4894 1 494 . 1 1 66 66 ARG CA C 13 57.6 . . . . . . . . . . . 4894 1 495 . 1 1 66 66 ARG CD C 13 41.8 . . . . . . . . . . . 4894 1 496 . 1 1 66 66 ARG N N 15 117.6 . . . . . . . . . . . 4894 1 497 . 1 1 66 66 ARG NE N 15 85.5 . . . . . . . . . . . 4894 1 498 . 1 1 66 66 ARG NH1 N 15 71.2 . . 1 . . . . . . . . 4894 1 499 . 1 1 66 66 ARG NH2 N 15 71.2 . . 1 . . . . . . . . 4894 1 500 . 1 1 67 67 ALA H H 1 8.28 . . . . . . . . . . . 4894 1 501 . 1 1 67 67 ALA HA H 1 3.82 . . . . . . . . . . . 4894 1 502 . 1 1 67 67 ALA HB1 H 1 1.58 . . . . . . . . . . . 4894 1 503 . 1 1 67 67 ALA HB2 H 1 1.58 . . . . . . . . . . . 4894 1 504 . 1 1 67 67 ALA HB3 H 1 1.58 . . . . . . . . . . . 4894 1 505 . 1 1 67 67 ALA CA C 13 54.1 . . . . . . . . . . . 4894 1 506 . 1 1 67 67 ALA CB C 13 16.5 . . . . . . . . . . . 4894 1 507 . 1 1 67 67 ALA N N 15 121.0 . . . . . . . . . . . 4894 1 508 . 1 1 68 68 ALA H H 1 8.65 . . . . . . . . . . . 4894 1 509 . 1 1 68 68 ALA HA H 1 4.22 . . . . . . . . . . . 4894 1 510 . 1 1 68 68 ALA HB1 H 1 1.62 . . . . . . . . . . . 4894 1 511 . 1 1 68 68 ALA HB2 H 1 1.62 . . . . . . . . . . . 4894 1 512 . 1 1 68 68 ALA HB3 H 1 1.62 . . . . . . . . . . . 4894 1 513 . 1 1 68 68 ALA CA C 13 53.8 . . . . . . . . . . . 4894 1 514 . 1 1 68 68 ALA CB C 13 16.6 . . . . . . . . . . . 4894 1 515 . 1 1 68 68 ALA N N 15 118.0 . . . . . . . . . . . 4894 1 516 . 1 1 69 69 GLU H H 1 8.91 . . . . . . . . . . . 4894 1 517 . 1 1 69 69 GLU HA H 1 3.90 . . . . . . . . . . . 4894 1 518 . 1 1 69 69 GLU HB2 H 1 2.38 . . 2 . . . . . . . . 4894 1 519 . 1 1 69 69 GLU HB3 H 1 2.10 . . 2 . . . . . . . . 4894 1 520 . 1 1 69 69 GLU HG2 H 1 2.67 . . 2 . . . . . . . . 4894 1 521 . 1 1 69 69 GLU HG3 H 1 2.38 . . 2 . . . . . . . . 4894 1 522 . 1 1 69 69 GLU CA C 13 58.7 . . . . . . . . . . . 4894 1 523 . 1 1 69 69 GLU CB C 13 28.1 . . . . . . . . . . . 4894 1 524 . 1 1 69 69 GLU CG C 13 35.6 . . . . . . . . . . . 4894 1 525 . 1 1 69 69 GLU N N 15 118.4 . . . . . . . . . . . 4894 1 526 . 1 1 70 70 LYS H H 1 7.69 . . . . . . . . . . . 4894 1 527 . 1 1 70 70 LYS HA H 1 4.16 . . . . . . . . . . . 4894 1 528 . 1 1 70 70 LYS HB2 H 1 2.02 . . 1 . . . . . . . . 4894 1 529 . 1 1 70 70 LYS HB3 H 1 2.02 . . 1 . . . . . . . . 4894 1 530 . 1 1 70 70 LYS HG2 H 1 1.15 . . 1 . . . . . . . . 4894 1 531 . 1 1 70 70 LYS HG3 H 1 1.15 . . 1 . . . . . . . . 4894 1 532 . 1 1 70 70 LYS CA C 13 58.0 . . . . . . . . . . . 4894 1 533 . 1 1 70 70 LYS CB C 13 31.2 . . . . . . . . . . . 4894 1 534 . 1 1 70 70 LYS N N 15 116.9 . . . . . . . . . . . 4894 1 535 . 1 1 71 71 MET H H 1 8.08 . . . . . . . . . . . 4894 1 536 . 1 1 71 71 MET HA H 1 4.63 . . . . . . . . . . . 4894 1 537 . 1 1 71 71 MET HB2 H 1 2.25 . . 1 . . . . . . . . 4894 1 538 . 1 1 71 71 MET HB3 H 1 2.25 . . 1 . . . . . . . . 4894 1 539 . 1 1 71 71 MET HG2 H 1 2.75 . . 1 . . . . . . . . 4894 1 540 . 1 1 71 71 MET HG3 H 1 2.75 . . 1 . . . . . . . . 4894 1 541 . 1 1 71 71 MET HE1 H 1 1.90 . . . . . . . . . . . 4894 1 542 . 1 1 71 71 MET HE2 H 1 1.90 . . . . . . . . . . . 4894 1 543 . 1 1 71 71 MET HE3 H 1 1.90 . . . . . . . . . . . 4894 1 544 . 1 1 71 71 MET CA C 13 58.0 . . . . . . . . . . . 4894 1 545 . 1 1 71 71 MET CB C 13 31.2 . . . . . . . . . . . 4894 1 546 . 1 1 71 71 MET CE C 13 15.3 . . . . . . . . . . . 4894 1 547 . 1 1 71 71 MET N N 15 121.4 . . . . . . . . . . . 4894 1 548 . 1 1 72 72 LEU H H 1 8.50 . . . . . . . . . . . 4894 1 549 . 1 1 72 72 LEU HA H 1 3.90 . . . . . . . . . . . 4894 1 550 . 1 1 72 72 LEU HB2 H 1 1.90 . . 2 . . . . . . . . 4894 1 551 . 1 1 72 72 LEU HB3 H 1 1.60 . . 2 . . . . . . . . 4894 1 552 . 1 1 72 72 LEU HG H 1 1.82 . . . . . . . . . . . 4894 1 553 . 1 1 72 72 LEU HD11 H 1 0.96 . . . . . . . . . . . 4894 1 554 . 1 1 72 72 LEU HD12 H 1 0.96 . . . . . . . . . . . 4894 1 555 . 1 1 72 72 LEU HD13 H 1 0.96 . . . . . . . . . . . 4894 1 556 . 1 1 72 72 LEU HD21 H 1 0.82 . . . . . . . . . . . 4894 1 557 . 1 1 72 72 LEU HD22 H 1 0.82 . . . . . . . . . . . 4894 1 558 . 1 1 72 72 LEU HD23 H 1 0.82 . . . . . . . . . . . 4894 1 559 . 1 1 72 72 LEU CA C 13 57.1 . . . . . . . . . . . 4894 1 560 . 1 1 72 72 LEU CB C 13 39.6 . . . . . . . . . . . 4894 1 561 . 1 1 72 72 LEU CD2 C 13 22.0 . . . . . . . . . . . 4894 1 562 . 1 1 72 72 LEU N N 15 120.5 . . . . . . . . . . . 4894 1 563 . 1 1 73 73 VAL H H 1 6.98 . . . . . . . . . . . 4894 1 564 . 1 1 73 73 VAL HA H 1 3.67 . . . . . . . . . . . 4894 1 565 . 1 1 73 73 VAL HB H 1 2.33 . . . . . . . . . . . 4894 1 566 . 1 1 73 73 VAL HG11 H 1 1.16 . . . . . . . . . . . 4894 1 567 . 1 1 73 73 VAL HG12 H 1 1.16 . . . . . . . . . . . 4894 1 568 . 1 1 73 73 VAL HG13 H 1 1.16 . . . . . . . . . . . 4894 1 569 . 1 1 73 73 VAL HG21 H 1 0.97 . . . . . . . . . . . 4894 1 570 . 1 1 73 73 VAL HG22 H 1 0.97 . . . . . . . . . . . 4894 1 571 . 1 1 73 73 VAL HG23 H 1 0.97 . . . . . . . . . . . 4894 1 572 . 1 1 73 73 VAL CA C 13 64.8 . . . . . . . . . . . 4894 1 573 . 1 1 73 73 VAL CB C 13 30.2 . . . . . . . . . . . 4894 1 574 . 1 1 73 73 VAL CG1 C 13 21.5 . . . . . . . . . . . 4894 1 575 . 1 1 73 73 VAL CG2 C 13 20.5 . . . . . . . . . . . 4894 1 576 . 1 1 73 73 VAL N N 15 116.7 . . . . . . . . . . . 4894 1 577 . 1 1 74 74 GLU H H 1 7.29 . . . . . . . . . . . 4894 1 578 . 1 1 74 74 GLU HA H 1 4.12 . . . . . . . . . . . 4894 1 579 . 1 1 74 74 GLU HB2 H 1 2.20 . . 2 . . . . . . . . 4894 1 580 . 1 1 74 74 GLU HB3 H 1 2.33 . . 2 . . . . . . . . 4894 1 581 . 1 1 74 74 GLU CA C 13 56.0 . . . . . . . . . . . 4894 1 582 . 1 1 74 74 GLU CB C 13 27.7 . . . . . . . . . . . 4894 1 583 . 1 1 74 74 GLU N N 15 117.2 . . . . . . . . . . . 4894 1 584 . 1 1 75 75 LEU H H 1 8.99 . . . . . . . . . . . 4894 1 585 . 1 1 75 75 LEU HA H 1 4.10 . . . . . . . . . . . 4894 1 586 . 1 1 75 75 LEU HB2 H 1 2.00 . . 5 . . . . . . . . 4894 1 587 . 1 1 75 75 LEU HB3 H 1 1.52 . . 2 . . . . . . . . 4894 1 588 . 1 1 75 75 LEU HG H 1 1.86 . . . . . . . . . . . 4894 1 589 . 1 1 75 75 LEU HD11 H 1 0.92 . . 2 . . . . . . . . 4894 1 590 . 1 1 75 75 LEU HD12 H 1 0.92 . . 2 . . . . . . . . 4894 1 591 . 1 1 75 75 LEU HD13 H 1 0.92 . . 2 . . . . . . . . 4894 1 592 . 1 1 75 75 LEU HD21 H 1 0.84 . . 2 . . . . . . . . 4894 1 593 . 1 1 75 75 LEU HD22 H 1 0.84 . . 2 . . . . . . . . 4894 1 594 . 1 1 75 75 LEU HD23 H 1 0.84 . . 2 . . . . . . . . 4894 1 595 . 1 1 75 75 LEU CA C 13 55.5 . . . . . . . . . . . 4894 1 596 . 1 1 75 75 LEU CB C 13 39.2 . . . . . . . . . . . 4894 1 597 . 1 1 75 75 LEU N N 15 118.4 . . . . . . . . . . . 4894 1 598 . 1 1 76 76 GLN H H 1 7.85 . . . . . . . . . . . 4894 1 599 . 1 1 76 76 GLN HA H 1 4.21 . . . . . . . . . . . 4894 1 600 . 1 1 76 76 GLN HB2 H 1 2.26 . . 1 . . . . . . . . 4894 1 601 . 1 1 76 76 GLN HB3 H 1 2.26 . . 1 . . . . . . . . 4894 1 602 . 1 1 76 76 GLN HG2 H 1 2.66 . . 2 . . . . . . . . 4894 1 603 . 1 1 76 76 GLN HG3 H 1 2.52 . . 2 . . . . . . . . 4894 1 604 . 1 1 76 76 GLN CA C 13 55.9 . . . . . . . . . . . 4894 1 605 . 1 1 76 76 GLN CB C 13 26.7 . . . . . . . . . . . 4894 1 606 . 1 1 76 76 GLN CG C 13 32.5 . . . . . . . . . . . 4894 1 607 . 1 1 76 76 GLN N N 15 117.9 . . . . . . . . . . . 4894 1 608 . 1 1 77 77 LYS H H 1 7.30 . . . . . . . . . . . 4894 1 609 . 1 1 77 77 LYS HA H 1 4.24 . . . . . . . . . . . 4894 1 610 . 1 1 77 77 LYS HB2 H 1 2.70 . . 2 . . . . . . . . 4894 1 611 . 1 1 77 77 LYS HB3 H 1 1.89 . . 2 . . . . . . . . 4894 1 612 . 1 1 77 77 LYS HG2 H 1 1.70 . . 1 . . . . . . . . 4894 1 613 . 1 1 77 77 LYS HG3 H 1 1.70 . . 1 . . . . . . . . 4894 1 614 . 1 1 77 77 LYS HD2 H 1 1.44 . . 1 . . . . . . . . 4894 1 615 . 1 1 77 77 LYS HD3 H 1 1.44 . . 1 . . . . . . . . 4894 1 616 . 1 1 77 77 LYS HE2 H 1 2.98 . . 1 . . . . . . . . 4894 1 617 . 1 1 77 77 LYS HE3 H 1 2.98 . . 1 . . . . . . . . 4894 1 618 . 1 1 77 77 LYS CA C 13 55.4 . . . . . . . . . . . 4894 1 619 . 1 1 77 77 LYS CB C 13 31.4 . . . . . . . . . . . 4894 1 620 . 1 1 77 77 LYS N N 15 115.7 . . . . . . . . . . . 4894 1 621 . 1 1 78 78 LEU H H 1 7.15 . . . . . . . . . . . 4894 1 622 . 1 1 78 78 LEU HA H 1 4.47 . . . . . . . . . . . 4894 1 623 . 1 1 78 78 LEU HB2 H 1 1.76 . . 2 . . . . . . . . 4894 1 624 . 1 1 78 78 LEU HB3 H 1 1.44 . . 2 . . . . . . . . 4894 1 625 . 1 1 78 78 LEU HG H 1 1.89 . . . . . . . . . . . 4894 1 626 . 1 1 78 78 LEU HD11 H 1 0.90 . . 2 . . . . . . . . 4894 1 627 . 1 1 78 78 LEU HD12 H 1 0.90 . . 2 . . . . . . . . 4894 1 628 . 1 1 78 78 LEU HD13 H 1 0.90 . . 2 . . . . . . . . 4894 1 629 . 1 1 78 78 LEU HD21 H 1 0.86 . . 2 . . . . . . . . 4894 1 630 . 1 1 78 78 LEU HD22 H 1 0.86 . . 2 . . . . . . . . 4894 1 631 . 1 1 78 78 LEU HD23 H 1 0.86 . . 2 . . . . . . . . 4894 1 632 . 1 1 78 78 LEU CA C 13 52.1 . . . . . . . . . . . 4894 1 633 . 1 1 78 78 LEU CB C 13 38.2 . . 5 . . . . . . . . 4894 1 634 . 1 1 78 78 LEU N N 15 119.4 . . . . . . . . . . . 4894 1 635 . 1 1 81 81 LEU H H 1 8.52 . . . . . . . . . . . 4894 1 636 . 1 1 81 81 LEU HA H 1 4.35 . . . . . . . . . . . 4894 1 637 . 1 1 81 81 LEU HB2 H 1 1.60 . . 1 . . . . . . . . 4894 1 638 . 1 1 81 81 LEU HB3 H 1 1.60 . . 1 . . . . . . . . 4894 1 639 . 1 1 81 81 LEU HD11 H 1 0.90 . . 1 . . . . . . . . 4894 1 640 . 1 1 81 81 LEU HD12 H 1 0.90 . . 1 . . . . . . . . 4894 1 641 . 1 1 81 81 LEU HD13 H 1 0.90 . . 1 . . . . . . . . 4894 1 642 . 1 1 81 81 LEU HD21 H 1 0.90 . . 1 . . . . . . . . 4894 1 643 . 1 1 81 81 LEU HD22 H 1 0.90 . . 1 . . . . . . . . 4894 1 644 . 1 1 81 81 LEU HD23 H 1 0.90 . . 1 . . . . . . . . 4894 1 645 . 1 1 81 81 LEU CA C 13 54.0 . . . . . . . . . . . 4894 1 646 . 1 1 81 81 LEU CB C 13 41.4 . . . . . . . . . . . 4894 1 647 . 1 1 81 81 LEU N N 15 122.3 . . . . . . . . . . . 4894 1 648 . 1 1 82 82 THR H H 1 8.20 . . . . . . . . . . . 4894 1 649 . 1 1 82 82 THR HA H 1 4.63 . . . . . . . . . . . 4894 1 650 . 1 1 82 82 THR HB H 1 4.18 . . . . . . . . . . . 4894 1 651 . 1 1 82 82 THR HG21 H 1 0.90 . . 1 . . . . . . . . 4894 1 652 . 1 1 82 82 THR HG22 H 1 0.90 . . 1 . . . . . . . . 4894 1 653 . 1 1 82 82 THR HG23 H 1 0.90 . . 1 . . . . . . . . 4894 1 654 . 1 1 82 82 THR CA C 13 58.0 . . . . . . . . . . . 4894 1 655 . 1 1 82 82 THR CB C 13 68.0 . . . . . . . . . . . 4894 1 656 . 1 1 82 82 THR CG2 C 13 19.5 . . . . . . . . . . . 4894 1 657 . 1 1 82 82 THR N N 15 116.8 . . . . . . . . . . . 4894 1 658 . 1 1 83 83 PRO HA H 1 4.56 . . . . . . . . . . . 4894 1 659 . 1 1 83 83 PRO HB2 H 1 2.34 . . 1 . . . . . . . . 4894 1 660 . 1 1 83 83 PRO HB3 H 1 2.34 . . 1 . . . . . . . . 4894 1 661 . 1 1 83 83 PRO HG2 H 1 2.05 . . 2 . . . . . . . . 4894 1 662 . 1 1 83 83 PRO HG3 H 1 1.92 . . 2 . . . . . . . . 4894 1 663 . 1 1 83 83 PRO HD2 H 1 3.88 . . 2 . . . . . . . . 4894 1 664 . 1 1 83 83 PRO HD3 H 1 3.76 . . 2 . . . . . . . . 4894 1 665 . 1 1 83 83 PRO CA C 13 61.8 . . . . . . . . . . . 4894 1 666 . 1 1 83 83 PRO CB C 13 30.8 . . . . . . . . . . . 4894 1 667 . 1 1 83 83 PRO CG C 13 25.9 . . . . . . . . . . . 4894 1 668 . 1 1 83 83 PRO CD C 13 50.0 . . . . . . . . . . . 4894 1 669 . 1 1 84 84 THR H H 1 8.31 . . . . . . . . . . . 4894 1 670 . 1 1 84 84 THR HA H 1 4.50 . . . . . . . . . . . 4894 1 671 . 1 1 84 84 THR HB H 1 4.20 . . . . . . . . . . . 4894 1 672 . 1 1 84 84 THR HG21 H 1 1.25 . . 1 . . . . . . . . 4894 1 673 . 1 1 84 84 THR HG22 H 1 1.25 . . 1 . . . . . . . . 4894 1 674 . 1 1 84 84 THR HG23 H 1 1.25 . . 1 . . . . . . . . 4894 1 675 . 1 1 84 84 THR CA C 13 60.3 . . . . . . . . . . . 4894 1 676 . 1 1 84 84 THR CB C 13 68.5 . . . . . . . . . . . 4894 1 677 . 1 1 84 84 THR CG2 C 13 19.5 . . . . . . . . . . . 4894 1 678 . 1 1 84 84 THR N N 15 115.0 . . . . . . . . . . . 4894 1 679 . 1 1 85 85 LYS H H 1 8.38 . . . . . . . . . . . 4894 1 680 . 1 1 85 85 LYS HA H 1 4.33 . . . . . . . . . . . 4894 1 681 . 1 1 85 85 LYS HB2 H 1 1.77 . . 1 . . . . . . . . 4894 1 682 . 1 1 85 85 LYS HB3 H 1 1.77 . . 1 . . . . . . . . 4894 1 683 . 1 1 85 85 LYS HG2 H 1 1.44 . . 1 . . . . . . . . 4894 1 684 . 1 1 85 85 LYS HG3 H 1 1.44 . . 1 . . . . . . . . 4894 1 685 . 1 1 85 85 LYS HE2 H 1 3.00 . . 1 . . . . . . . . 4894 1 686 . 1 1 85 85 LYS HE3 H 1 3.00 . . 1 . . . . . . . . 4894 1 687 . 1 1 85 85 LYS CA C 13 54.8 . . . . . . . . . . . 4894 1 688 . 1 1 85 85 LYS CB C 13 31.5 . . . . . . . . . . . 4894 1 689 . 1 1 85 85 LYS CG C 13 23.7 . . . . . . . . . . . 4894 1 690 . 1 1 85 85 LYS N N 15 124.0 . . . . . . . . . . . 4894 1 691 . 1 1 87 87 PHE H H 1 8.29 . . . . . . . . . . . 4894 1 692 . 1 1 87 87 PHE HA H 1 4.57 . . . . . . . . . . . 4894 1 693 . 1 1 87 87 PHE HB2 H 1 3.12 . . . . . . . . . . . 4894 1 694 . 1 1 87 87 PHE HB3 H 1 3.03 . . . . . . . . . . . 4894 1 695 . 1 1 87 87 PHE HD1 H 1 7.26 . . 1 . . . . . . . . 4894 1 696 . 1 1 87 87 PHE HD2 H 1 7.26 . . 1 . . . . . . . . 4894 1 697 . 1 1 87 87 PHE HE1 H 1 7.18 . . 1 . . . . . . . . 4894 1 698 . 1 1 87 87 PHE HE2 H 1 7.18 . . 1 . . . . . . . . 4894 1 699 . 1 1 87 87 PHE CA C 13 56.0 . . . . . . . . . . . 4894 1 700 . 1 1 87 87 PHE CB C 13 38.1 . . . . . . . . . . . 4894 1 701 . 1 1 87 87 PHE N N 15 121.2 . . . . . . . . . . . 4894 1 702 . 1 1 88 88 ILE HA H 1 4.16 . . . . . . . . . . . 4894 1 703 . 1 1 88 88 ILE HB H 1 1.78 . . . . . . . . . . . 4894 1 704 . 1 1 88 88 ILE HG12 H 1 1.48 . . . . . . . . . . . 4894 1 705 . 1 1 88 88 ILE HG13 H 1 1.19 . . . . . . . . . . . 4894 1 706 . 1 1 88 88 ILE HG21 H 1 0.86 . . . . . . . . . . . 4894 1 707 . 1 1 88 88 ILE HG22 H 1 0.86 . . . . . . . . . . . 4894 1 708 . 1 1 88 88 ILE HG23 H 1 0.86 . . . . . . . . . . . 4894 1 709 . 1 1 88 88 ILE HD11 H 1 0.84 . . . . . . . . . . . 4894 1 710 . 1 1 88 88 ILE HD12 H 1 0.84 . . . . . . . . . . . 4894 1 711 . 1 1 88 88 ILE HD13 H 1 0.84 . . . . . . . . . . . 4894 1 712 . 1 1 88 88 ILE CA C 13 59.2 . . . . . . . . . . . 4894 1 713 . 1 1 88 88 ILE CB C 13 37.5 . . . . . . . . . . . 4894 1 714 . 1 1 88 88 ILE CG1 C 13 25.7 . . . . . . . . . . . 4894 1 715 . 1 1 88 88 ILE CG2 C 13 15.8 . . . . . . . . . . . 4894 1 716 . 1 1 88 88 ILE CD1 C 13 11.1 . . . . . . . . . . . 4894 1 717 . 1 1 88 88 ILE N N 15 123.4 . . . . . . . . . . . 4894 1 718 . 1 1 89 89 VAL H H 1 8.48 . . . . . . . . . . . 4894 1 719 . 1 1 89 89 VAL HA H 1 4.16 . . . . . . . . . . . 4894 1 720 . 1 1 89 89 VAL HB H 1 2.10 . . . . . . . . . . . 4894 1 721 . 1 1 89 89 VAL HG11 H 1 0.98 . . . . . . . . . . . 4894 1 722 . 1 1 89 89 VAL HG12 H 1 0.98 . . . . . . . . . . . 4894 1 723 . 1 1 89 89 VAL HG13 H 1 0.98 . . . . . . . . . . . 4894 1 724 . 1 1 89 89 VAL HG21 H 1 0.84 . . . . . . . . . . . 4894 1 725 . 1 1 89 89 VAL HG22 H 1 0.84 . . . . . . . . . . . 4894 1 726 . 1 1 89 89 VAL HG23 H 1 0.84 . . . . . . . . . . . 4894 1 727 . 1 1 89 89 VAL CA C 13 60.8 . . . . . . . . . . . 4894 1 728 . 1 1 89 89 VAL CB C 13 31.0 . . . . . . . . . . . 4894 1 729 . 1 1 89 89 VAL CG1 C 13 20.0 . . . . . . . . . . . 4894 1 730 . 1 1 89 89 VAL N N 15 125.4 . . . . . . . . . . . 4894 1 731 . 1 1 90 90 ASP H H 1 8.15 . . . . . . . . . . . 4894 1 732 . 1 1 90 90 ASP HA H 1 4.37 . . . . . . . . . . . 4894 1 733 . 1 1 90 90 ASP HB2 H 1 1.90 . . 1 . . . . . . . . 4894 1 734 . 1 1 90 90 ASP HB3 H 1 1.90 . . 1 . . . . . . . . 4894 1 735 . 1 1 90 90 ASP CA C 13 60.8 . . . . . . . . . . . 4894 1 736 . 1 1 90 90 ASP CB C 13 31.0 . . . . . . . . . . . 4894 1 stop_ save_ save_chemical_shifts_set2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shifts_set2 _Assigned_chem_shift_list.Entry_ID 4894 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $EX-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 4894 2 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 . 2 2 1 1 G H1 H 1 12.65 . . 5 . . . . . . . . 4894 2 2 . 2 2 1 1 G H8 H 1 8.26 . . 5 . . . . . . . . 4894 2 3 . 2 2 1 1 G C8 C 13 138.7 . . 5 . . . . . . . . 4894 2 4 . 2 2 1 1 G H1' H 1 5.86 . . . . . . . . . . . 4894 2 5 . 2 2 1 1 G H2' H 1 4.98 . . 5 . . . . . . . . 4894 2 6 . 2 2 1 1 G H3' H 1 4.75 . . 5 . . . . . . . . 4894 2 7 . 2 2 1 1 G H4' H 1 4.58 . . . . . . . . . . . 4894 2 8 . 2 2 1 1 G H5' H 1 4.50 . . 2 . . . . . . . . 4894 2 9 . 2 2 1 1 G H5'' H 1 4.34 . . 2 . . . . . . . . 4894 2 10 . 2 2 1 1 G C1' C 13 92.1 . . . . . . . . . . . 4894 2 11 . 2 2 1 1 G C2' C 13 75.1 . . . . . . . . . . . 4894 2 12 . 2 2 1 1 G C3' C 13 74.4 . . . . . . . . . . . 4894 2 13 . 2 2 1 1 G C4' C 13 83.4 . . . . . . . . . . . 4894 2 14 . 2 2 1 1 G C5' C 13 66.4 . . . . . . . . . . . 4894 2 15 . 2 2 2 2 G H1 H 1 12.65 . . 5 . . . . . . . . 4894 2 16 . 2 2 2 2 G H8 H 1 7.60 . . . . . . . . . . . 4894 2 17 . 2 2 2 2 G C8 C 13 136.4 . . . . . . . . . . . 4894 2 18 . 2 2 2 2 G N1 N 15 149.9 . . 5 . . . . . . . . 4894 2 19 . 2 2 2 2 G H1' H 1 5.92 . . . . . . . . . . . 4894 2 20 . 2 2 2 2 G H2' H 1 4.71 . . 5 . . . . . . . . 4894 2 21 . 2 2 2 2 G H3' H 1 4.70 . . 5 . . . . . . . . 4894 2 22 . 2 2 2 2 G H4' H 1 4.62 . . . . . . . . . . . 4894 2 23 . 2 2 2 2 G H5' H 1 4.59 . . 5 . . . . . . . . 4894 2 24 . 2 2 2 2 G H5'' H 1 4.33 . . 5 . . . . . . . . 4894 2 25 . 2 2 2 2 G C1' C 13 93.2 . . . . . . . . . . . 4894 2 26 . 2 2 2 2 G C2' C 13 75.6 . . . . . . . . . . . 4894 2 27 . 2 2 2 2 G C3' C 13 72.9 . . . . . . . . . . . 4894 2 28 . 2 2 2 2 G C4' C 13 82.7 . . . . . . . . . . . 4894 2 29 . 2 2 2 2 G C5' C 13 66.0 . . . . . . . . . . . 4894 2 30 . 2 2 3 3 A H2 H 1 7.75 . . . . . . . . . . . 4894 2 31 . 2 2 3 3 A H8 H 1 7.91 . . . . . . . . . . . 4894 2 32 . 2 2 3 3 A C2 C 13 153.9 . . . . . . . . . . . 4894 2 33 . 2 2 3 3 A C8 C 13 138.7 . . . . . . . . . . . 4894 2 34 . 2 2 3 3 A H1' H 1 6.04 . . . . . . . . . . . 4894 2 35 . 2 2 3 3 A H2' H 1 4.62 . . . . . . . . . . . 4894 2 36 . 2 2 3 3 A H3' H 1 4.67 . . . . . . . . . . . 4894 2 37 . 2 2 3 3 A H4' H 1 4.57 . . . . . . . . . . . 4894 2 38 . 2 2 3 3 A H5' H 1 4.67 . . . . . . . . . . . 4894 2 39 . 2 2 3 3 A H5'' H 1 4.20 . . . . . . . . . . . 4894 2 40 . 2 2 3 3 A C1' C 13 92.8 . . . . . . . . . . . 4894 2 41 . 2 2 3 3 A C2' C 13 75.4 . . . . . . . . . . . 4894 2 42 . 2 2 3 3 A C3' C 13 72.5 . . . . . . . . . . . 4894 2 43 . 2 2 3 3 A C4' C 13 82.0 . . . . . . . . . . . 4894 2 44 . 2 2 3 3 A C5' C 13 64.7 . . . . . . . . . . . 4894 2 45 . 2 2 3 3 A P P 31 -3.80 . . 5 . . . . . . . . 4894 2 46 . 2 2 4 4 C H41 H 1 8.36 . . . . . . . . . . . 4894 2 47 . 2 2 4 4 C H42 H 1 6.97 . . . . . . . . . . . 4894 2 48 . 2 2 4 4 C H5 H 1 5.28 . . . . . . . . . . . 4894 2 49 . 2 2 4 4 C H6 H 1 7.49 . . . . . . . . . . . 4894 2 50 . 2 2 4 4 C C5 C 13 97.8 . . . . . . . . . . . 4894 2 51 . 2 2 4 4 C C6 C 13 139.7 . . . . . . . . . . . 4894 2 52 . 2 2 4 4 C N4 N 15 99.2 . . . . . . . . . . . 4894 2 53 . 2 2 4 4 C H1' H 1 5.43 . . . . . . . . . . . 4894 2 54 . 2 2 4 4 C H2' H 1 4.47 . . . . . . . . . . . 4894 2 55 . 2 2 4 4 C H3' H 1 4.49 . . . . . . . . . . . 4894 2 56 . 2 2 4 4 C H4' H 1 4.47 . . . . . . . . . . . 4894 2 57 . 2 2 4 4 C H5' H 1 4.57 . . . . . . . . . . . 4894 2 58 . 2 2 4 4 C H5'' H 1 4.13 . . . . . . . . . . . 4894 2 59 . 2 2 4 4 C C1' C 13 93.9 . . . . . . . . . . . 4894 2 60 . 2 2 4 4 C C2' C 13 75.2 . . . . . . . . . . . 4894 2 61 . 2 2 4 4 C C3' C 13 72.2 . . . . . . . . . . . 4894 2 62 . 2 2 4 4 C C4' C 13 82.0 . . . . . . . . . . . 4894 2 63 . 2 2 4 4 C C5' C 13 64.6 . . . . . . . . . . . 4894 2 64 . 2 2 5 5 A H2 H 1 7.09 . . . . . . . . . . . 4894 2 65 . 2 2 5 5 A H61 H 1 7.86 . . . . . . . . . . . 4894 2 66 . 2 2 5 5 A H62 H 1 6.93 . . 5 . . . . . . . . 4894 2 67 . 2 2 5 5 A H8 H 1 8.04 . . . . . . . . . . . 4894 2 68 . 2 2 5 5 A C2 C 13 152.4 . . . . . . . . . . . 4894 2 69 . 2 2 5 5 A C8 C 13 138.9 . . . . . . . . . . . 4894 2 70 . 2 2 5 5 A H1' H 1 5.97 . . . . . . . . . . . 4894 2 71 . 2 2 5 5 A H2' H 1 4.73 . . . . . . . . . . . 4894 2 72 . 2 2 5 5 A H3' H 1 4.77 . . . . . . . . . . . 4894 2 73 . 2 2 5 5 A H4' H 1 4.56 . . . . . . . . . . . 4894 2 74 . 2 2 5 5 A H5' H 1 4.60 . . . . . . . . . . . 4894 2 75 . 2 2 5 5 A H5'' H 1 4.21 . . . . . . . . . . . 4894 2 76 . 2 2 5 5 A C1' C 13 93.0 . . . . . . . . . . . 4894 2 77 . 2 2 5 5 A C2' C 13 75.8 . . . . . . . . . . . 4894 2 78 . 2 2 5 5 A C3' C 13 72.5 . . . . . . . . . . . 4894 2 79 . 2 2 5 5 A C4' C 13 82.0 . . . . . . . . . . . 4894 2 80 . 2 2 5 5 A C5' C 13 65.0 . . . . . . . . . . . 4894 2 81 . 2 2 6 6 G H1 H 1 13.48 . . . . . . . . . . . 4894 2 82 . 2 2 6 6 G H8 H 1 7.31 . . . . . . . . . . . 4894 2 83 . 2 2 6 6 G C8 C 13 135.0 . . . . . . . . . . . 4894 2 84 . 2 2 6 6 G N1 N 15 149.9 . . . . . . . . . . . 4894 2 85 . 2 2 6 6 G H1' H 1 5.66 . . . . . . . . . . . 4894 2 86 . 2 2 6 6 G H2' H 1 4.50 . . . . . . . . . . . 4894 2 87 . 2 2 6 6 G H3' H 1 4.47 . . . . . . . . . . . 4894 2 88 . 2 2 6 6 G H4' H 1 4.50 . . . . . . . . . . . 4894 2 89 . 2 2 6 6 G H5' H 1 4.53 . . . . . . . . . . . 4894 2 90 . 2 2 6 6 G H5'' H 1 4.14 . . . . . . . . . . . 4894 2 91 . 2 2 6 6 G C1' C 13 93.0 . . . . . . . . . . . 4894 2 92 . 2 2 6 6 G C2' C 13 75.3 . . . . . . . . . . . 4894 2 93 . 2 2 6 6 G C3' C 13 72.4 . . . . . . . . . . . 4894 2 94 . 2 2 6 6 G C4' C 13 82.0 . . . . . . . . . . . 4894 2 95 . 2 2 6 6 G C5' C 13 65.1 . . . . . . . . . . . 4894 2 96 . 2 2 7 7 C H41 H 1 8.53 . . . . . . . . . . . 4894 2 97 . 2 2 7 7 C H42 H 1 6.84 . . . . . . . . . . . 4894 2 98 . 2 2 7 7 C H5 H 1 5.12 . . . . . . . . . . . 4894 2 99 . 2 2 7 7 C H6 H 1 7.54 . . . . . . . . . . . 4894 2 100 . 2 2 7 7 C C5 C 13 97.3 . . . . . . . . . . . 4894 2 101 . 2 2 7 7 C C6 C 13 140.4 . . . . . . . . . . . 4894 2 102 . 2 2 7 7 C H1' H 1 5.53 . . . . . . . . . . . 4894 2 103 . 2 2 7 7 C H2' H 1 4.47 . . . . . . . . . . . 4894 2 104 . 2 2 7 7 C H3' H 1 4.49 . . . . . . . . . . . 4894 2 105 . 2 2 7 7 C H4' H 1 4.46 . . . . . . . . . . . 4894 2 106 . 2 2 7 7 C H5' H 1 4.60 . . . . . . . . . . . 4894 2 107 . 2 2 7 7 C H5'' H 1 4.12 . . . . . . . . . . . 4894 2 108 . 2 2 7 7 C C1' C 13 94.3 . . . . . . . . . . . 4894 2 109 . 2 2 7 7 C C2' C 13 75.1 . . . . . . . . . . . 4894 2 110 . 2 2 7 7 C C3' C 13 72.2 . . . . . . . . . . . 4894 2 111 . 2 2 7 7 C C4' C 13 81.9 . . . . . . . . . . . 4894 2 112 . 2 2 7 7 C C5' C 13 64.5 . . . . . . . . . . . 4894 2 113 . 2 2 8 8 U H3 H 1 13.52 . . . . . . . . . . . 4894 2 114 . 2 2 8 8 U H5 H 1 5.47 . . . . . . . . . . . 4894 2 115 . 2 2 8 8 U H6 H 1 7.90 . . . . . . . . . . . 4894 2 116 . 2 2 8 8 U C5 C 13 103.5 . . . . . . . . . . . 4894 2 117 . 2 2 8 8 U C6 C 13 141.4 . . . . . . . . . . . 4894 2 118 . 2 2 8 8 U N1 N 15 163.6 . . . . . . . . . . . 4894 2 119 . 2 2 8 8 U H1' H 1 5.60 . . . . . . . . . . . 4894 2 120 . 2 2 8 8 U H2' H 1 4.73 . . . . . . . . . . . 4894 2 121 . 2 2 8 8 U H3' H 1 4.63 . . . . . . . . . . . 4894 2 122 . 2 2 8 8 U H4' H 1 4.49 . . . . . . . . . . . 4894 2 123 . 2 2 8 8 U H5' H 1 4.60 . . . . . . . . . . . 4894 2 124 . 2 2 8 8 U H5'' H 1 4.16 . . . . . . . . . . . 4894 2 125 . 2 2 8 8 U C1' C 13 93.7 . . . . . . . . . . . 4894 2 126 . 2 2 8 8 U C2' C 13 75.4 . . . . . . . . . . . 4894 2 127 . 2 2 8 8 U C3' C 13 72.6 . . . . . . . . . . . 4894 2 128 . 2 2 8 8 U C4' C 13 81.0 . . . . . . . . . . . 4894 2 129 . 2 2 8 8 U C5' C 13 64.6 . . . . . . . . . . . 4894 2 130 . 2 2 9 9 G H1 H 1 12.65 . . . . . . . . . . . 4894 2 131 . 2 2 9 9 G H8 H 1 7.81 . . . . . . . . . . . 4894 2 132 . 2 2 9 9 G C8 C 13 136.0 . . . . . . . . . . . 4894 2 133 . 2 2 9 9 G N1 N 15 149.0 . . . . . . . . . . . 4894 2 134 . 2 2 9 9 G H1' H 1 5.85 . . . . . . . . . . . 4894 2 135 . 2 2 9 9 G H2' H 1 4.49 . . . . . . . . . . . 4894 2 136 . 2 2 9 9 G H3' H 1 4.64 . . . . . . . . . . . 4894 2 137 . 2 2 9 9 G H4' H 1 4.57 . . . . . . . . . . . 4894 2 138 . 2 2 9 9 G H5' H 1 4.61 . . . . . . . . . . . 4894 2 139 . 2 2 9 9 G H5'' H 1 4.22 . . . . . . . . . . . 4894 2 140 . 2 2 9 9 G C1' C 13 93.2 . . . . . . . . . . . 4894 2 141 . 2 2 9 9 G C2' C 13 75.3 . . . . . . . . . . . 4894 2 142 . 2 2 9 9 G C3' C 13 72.9 . . . . . . . . . . . 4894 2 143 . 2 2 9 9 G C4' C 13 82.0 . . . . . . . . . . . 4894 2 144 . 2 2 9 9 G C5' C 13 65.2 . . . . . . . . . . . 4894 2 145 . 2 2 10 10 U H3 H 1 14.36 . . . . . . . . . . . 4894 2 146 . 2 2 10 10 U H5 H 1 5.47 . . . . . . . . . . . 4894 2 147 . 2 2 10 10 U H6 H 1 7.90 . . . . . . . . . . . 4894 2 148 . 2 2 10 10 U C5 C 13 102.2 . . . . . . . . . . . 4894 2 149 . 2 2 10 10 U C6 C 13 141.4 . . . . . . . . . . . 4894 2 150 . 2 2 10 10 U N3 N 15 163.6 . . . . . . . . . . . 4894 2 151 . 2 2 10 10 U H1' H 1 5.58 . . . . . . . . . . . 4894 2 152 . 2 2 10 10 U H2' H 1 4.50 . . . . . . . . . . . 4894 2 153 . 2 2 10 10 U H3' H 1 4.55 . . . . . . . . . . . 4894 2 154 . 2 2 10 10 U H4' H 1 4.50 . . . . . . . . . . . 4894 2 155 . 2 2 10 10 U H5' H 1 4.63 . . . . . . . . . . . 4894 2 156 . 2 2 10 10 U H5'' H 1 4.16 . . . . . . . . . . . 4894 2 157 . 2 2 10 10 U C1' C 13 93.9 . . . . . . . . . . . 4894 2 158 . 2 2 10 10 U C2' C 13 75.2 . . . . . . . . . . . 4894 2 159 . 2 2 10 10 U C3' C 13 72.5 . . . . . . . . . . . 4894 2 160 . 2 2 10 10 U C4' C 13 82.3 . . . . . . . . . . . 4894 2 161 . 2 2 10 10 U C5' C 13 64.1 . . . . . . . . . . . 4894 2 162 . 2 2 11 11 C H41 H 1 8.54 . . . . . . . . . . . 4894 2 163 . 2 2 11 11 C H42 H 1 7.01 . . . . . . . . . . . 4894 2 164 . 2 2 11 11 C H5 H 1 5.69 . . . . . . . . . . . 4894 2 165 . 2 2 11 11 C H6 H 1 7.97 . . . . . . . . . . . 4894 2 166 . 2 2 11 11 C C5 C 13 97.1 . . . . . . . . . . . 4894 2 167 . 2 2 11 11 C C6 C 13 141.1 . . . . . . . . . . . 4894 2 168 . 2 2 11 11 C H1' H 1 5.64 . . . . . . . . . . . 4894 2 169 . 2 2 11 11 C H2' H 1 4.41 . . . . . . . . . . . 4894 2 170 . 2 2 11 11 C H3' H 1 4.54 . . . . . . . . . . . 4894 2 171 . 2 2 11 11 C H4' H 1 4.50 . . . . . . . . . . . 4894 2 172 . 2 2 11 11 C H5' H 1 4.58 . . . . . . . . . . . 4894 2 173 . 2 2 11 11 C H5'' H 1 4.16 . . . . . . . . . . . 4894 2 174 . 2 2 11 11 C C1' C 13 94.2 . . . . . . . . . . . 4894 2 175 . 2 2 11 11 C C2' C 13 75.7 . . . . . . . . . . . 4894 2 176 . 2 2 11 11 C C3' C 13 72.3 . . . . . . . . . . . 4894 2 177 . 2 2 11 11 C C4' C 13 82.1 . . . . . . . . . . . 4894 2 178 . 2 2 11 11 C C5' C 13 65.0 . . . . . . . . . . . 4894 2 179 . 2 2 12 12 C H41 H 1 8.52 . . . . . . . . . . . 4894 2 180 . 2 2 12 12 C H42 H 1 6.91 . . . . . . . . . . . 4894 2 181 . 2 2 12 12 C H5 H 1 5.53 . . . . . . . . . . . 4894 2 182 . 2 2 12 12 C H6 H 1 7.87 . . . . . . . . . . . 4894 2 183 . 2 2 12 12 C C5 C 13 98.0 . . . . . . . . . . . 4894 2 184 . 2 2 12 12 C C6 C 13 144.0 . . . . . . . . . . . 4894 2 185 . 2 2 12 12 C H1' H 1 5.53 . . . . . . . . . . . 4894 2 186 . 2 2 12 12 C H2' H 1 4.44 . . . . . . . . . . . 4894 2 187 . 2 2 12 12 C H3' H 1 4.53 . . . . . . . . . . . 4894 2 188 . 2 2 12 12 C H4' H 1 4.47 . . . . . . . . . . . 4894 2 189 . 2 2 12 12 C H5' H 1 4.60 . . 5 . . . . . . . . 4894 2 190 . 2 2 12 12 C H5'' H 1 4.12 . . 5 . . . . . . . . 4894 2 191 . 2 2 12 12 C C1' C 13 94.2 . . . . . . . . . . . 4894 2 192 . 2 2 12 12 C C2' C 13 75.2 . . . . . . . . . . . 4894 2 193 . 2 2 12 12 C C3' C 13 72.1 . . . . . . . . . . . 4894 2 194 . 2 2 12 12 C C4' C 13 82.0 . . . . . . . . . . . 4894 2 195 . 2 2 12 12 C C5' C 13 64.3 . . . . . . . . . . . 4894 2 196 . 2 2 12 12 C P P 31 -4.25 . . 5 . . . . . . . . 4894 2 197 . 2 2 13 13 C H41 H 1 8.62 . . . . . . . . . . . 4894 2 198 . 2 2 13 13 C H42 H 1 6.92 . . . . . . . . . . . 4894 2 199 . 2 2 13 13 C H5 H 1 5.55 . . . . . . . . . . . 4894 2 200 . 2 2 13 13 C H6 H 1 7.74 . . . . . . . . . . . 4894 2 201 . 2 2 13 13 C C5 C 13 98.0 . . . . . . . . . . . 4894 2 202 . 2 2 13 13 C C6 C 13 141.5 . . . . . . . . . . . 4894 2 203 . 2 2 13 13 C H1' H 1 5.53 . . . . . . . . . . . 4894 2 204 . 2 2 13 13 C H2' H 1 4.55 . . . . . . . . . . . 4894 2 205 . 2 2 13 13 C H3' H 1 4.39 . . . . . . . . . . . 4894 2 206 . 2 2 13 13 C H4' H 1 4.48 . . . . . . . . . . . 4894 2 207 . 2 2 13 13 C H5' H 1 4.58 . . . . . . . . . . . 4894 2 208 . 2 2 13 13 C H5'' H 1 4.12 . . 5 . . . . . . . . 4894 2 209 . 2 2 13 13 C C1' C 13 94.3 . . . . . . . . . . . 4894 2 210 . 2 2 13 13 C C2' C 13 75.7 . . . . . . . . . . . 4894 2 211 . 2 2 13 13 C C3' C 13 71.8 . . . . . . . . . . . 4894 2 212 . 2 2 13 13 C C4' C 13 82.0 . . . . . . . . . . . 4894 2 213 . 2 2 13 13 C C5' C 13 64.6 . . . . . . . . . . . 4894 2 214 . 2 2 14 14 U H5 H 1 7.83 . . . . . . . . . . . 4894 2 215 . 2 2 14 14 U H6 H 1 5.81 . . . . . . . . . . . 4894 2 216 . 2 2 14 14 U C5 C 13 104.6 . . . . . . . . . . . 4894 2 217 . 2 2 14 14 U C6 C 13 140.2 . . . . . . . . . . . 4894 2 218 . 2 2 14 14 U H1' H 1 5.62 . . . . . . . . . . . 4894 2 219 . 2 2 14 14 U H2' H 1 3.82 . . . . . . . . . . . 4894 2 220 . 2 2 14 14 U H3' H 1 4.58 . . . . . . . . . . . 4894 2 221 . 2 2 14 14 U H4' H 1 4.45 . . . . . . . . . . . 4894 2 222 . 2 2 14 14 U H5' H 1 4.57 . . . . . . . . . . . 4894 2 223 . 2 2 14 14 U H5'' H 1 4.17 . . . . . . . . . . . 4894 2 224 . 2 2 14 14 U C1' C 13 94.7 . . . . . . . . . . . 4894 2 225 . 2 2 14 14 U C2' C 13 75.8 . . . . . . . . . . . 4894 2 226 . 2 2 14 14 U C3' C 13 72.8 . . . . . . . . . . . 4894 2 227 . 2 2 14 14 U C4' C 13 82.4 . . . . . . . . . . . 4894 2 228 . 2 2 14 14 U C5' C 13 64.5 . . . . . . . . . . . 4894 2 229 . 2 2 15 15 U H5 H 1 5.92 . . . . . . . . . . . 4894 2 230 . 2 2 15 15 U H6 H 1 8.10 . . . . . . . . . . . 4894 2 231 . 2 2 15 15 U C5 C 13 105.1 . . . . . . . . . . . 4894 2 232 . 2 2 15 15 U C6 C 13 144.3 . . . . . . . . . . . 4894 2 233 . 2 2 15 15 U H1' H 1 6.13 . . . . . . . . . . . 4894 2 234 . 2 2 15 15 U H2' H 1 4.73 . . . . . . . . . . . 4894 2 235 . 2 2 15 15 U H3' H 1 4.05 . . . . . . . . . . . 4894 2 236 . 2 2 15 15 U H4' H 1 4.54 . . . . . . . . . . . 4894 2 237 . 2 2 15 15 U H5' H 1 4.29 . . . . . . . . . . . 4894 2 238 . 2 2 15 15 U H5'' H 1 4.12 . . . . . . . . . . . 4894 2 239 . 2 2 15 15 U C1' C 13 89.4 . . . . . . . . . . . 4894 2 240 . 2 2 15 15 U C2' C 13 74.5 . . . . . . . . . . . 4894 2 241 . 2 2 15 15 U C3' C 13 77.5 . . . . . . . . . . . 4894 2 242 . 2 2 15 15 U C4' C 13 87.4 . . . . . . . . . . . 4894 2 243 . 2 2 15 15 U C5' C 13 67.8 . . . . . . . . . . . 4894 2 244 . 2 2 16 16 C H41 H 1 7.26 . . . . . . . . . . . 4894 2 245 . 2 2 16 16 C H42 H 1 6.43 . . . . . . . . . . . 4894 2 246 . 2 2 16 16 C H5 H 1 6.21 . . . . . . . . . . . 4894 2 247 . 2 2 16 16 C H6 H 1 7.75 . . . . . . . . . . . 4894 2 248 . 2 2 16 16 C C5 C 13 98.3 . . . . . . . . . . . 4894 2 249 . 2 2 16 16 C C6 C 13 142.5 . . . . . . . . . . . 4894 2 250 . 2 2 16 16 C H1' H 1 6.00 . . . . . . . . . . . 4894 2 251 . 2 2 16 16 C H2' H 1 4.14 . . . . . . . . . . . 4894 2 252 . 2 2 16 16 C H3' H 1 4.53 . . . . . . . . . . . 4894 2 253 . 2 2 16 16 C H4' H 1 3.85 . . . . . . . . . . . 4894 2 254 . 2 2 16 16 C H5' H 1 3.68 . . . . . . . . . . . 4894 2 255 . 2 2 16 16 C H5'' H 1 2.78 . . . . . . . . . . . 4894 2 256 . 2 2 16 16 C C1' C 13 89.2 . . . . . . . . . . . 4894 2 257 . 2 2 16 16 C C2' C 13 77.6 . . . . . . . . . . . 4894 2 258 . 2 2 16 16 C C3' C 13 80.5 . . . . . . . . . . . 4894 2 259 . 2 2 16 16 C C4' C 13 84.5 . . . . . . . . . . . 4894 2 260 . 2 2 16 16 C C5' C 13 67.2 . . . . . . . . . . . 4894 2 261 . 2 2 17 17 G H1 H 1 9.90 . . . . . . . . . . . 4894 2 262 . 2 2 17 17 G H8 H 1 7.91 . . . . . . . . . . . 4894 2 263 . 2 2 17 17 G C8 C 13 142.5 . . . . . . . . . . . 4894 2 264 . 2 2 17 17 G N1 N 15 144.8 . . . . . . . . . . . 4894 2 265 . 2 2 17 17 G H1' H 1 6.01 . . . . . . . . . . . 4894 2 266 . 2 2 17 17 G H2' H 1 4.92 . . . . . . . . . . . 4894 2 267 . 2 2 17 17 G H3' H 1 5.68 . . . . . . . . . . . 4894 2 268 . 2 2 17 17 G H4' H 1 4.46 . . . . . . . . . . . 4894 2 269 . 2 2 17 17 G H5' H 1 4.45 . . . . . . . . . . . 4894 2 270 . 2 2 17 17 G H5'' H 1 4.25 . . . . . . . . . . . 4894 2 271 . 2 2 17 17 G C1' C 13 94.7 . . . . . . . . . . . 4894 2 272 . 2 2 17 17 G C2' C 13 77.2 . . . . . . . . . . . 4894 2 273 . 2 2 17 17 G C3' C 13 75.8 . . . . . . . . . . . 4894 2 274 . 2 2 17 17 G C4' C 13 83.2 . . . . . . . . . . . 4894 2 275 . 2 2 17 17 G C5' C 13 68.7 . . . . . . . . . . . 4894 2 276 . 2 2 18 18 G H1 H 1 12.86 . . . . . . . . . . . 4894 2 277 . 2 2 18 18 G H21 H 1 8.58 . . . . . . . . . . . 4894 2 278 . 2 2 18 18 G H22 H 1 6.35 . . . . . . . . . . . 4894 2 279 . 2 2 18 18 G H8 H 1 8.31 . . . . . . . . . . . 4894 2 280 . 2 2 18 18 G C8 C 13 138.2 . . . . . . . . . . . 4894 2 281 . 2 2 18 18 G N1 N 15 148.9 . . . . . . . . . . . 4894 2 282 . 2 2 18 18 G H1' H 1 4.55 . . . . . . . . . . . 4894 2 283 . 2 2 18 18 G H2' H 1 4.59 . . . . . . . . . . . 4894 2 284 . 2 2 18 18 G H3' H 1 4.35 . . . . . . . . . . . 4894 2 285 . 2 2 18 18 G H4' H 1 4.44 . . . . . . . . . . . 4894 2 286 . 2 2 18 18 G H5' H 1 4.57 . . . . . . . . . . . 4894 2 287 . 2 2 18 18 G H5'' H 1 4.35 . . . . . . . . . . . 4894 2 288 . 2 2 18 18 G C1' C 13 93.2 . . . . . . . . . . . 4894 2 289 . 2 2 18 18 G C2' C 13 75.4 . . . . . . . . . . . 4894 2 290 . 2 2 18 18 G C3' C 13 74.7 . . . . . . . . . . . 4894 2 291 . 2 2 18 18 G C4' C 13 82.7 . . . . . . . . . . . 4894 2 292 . 2 2 18 18 G C5' C 13 69.3 . . . . . . . . . . . 4894 2 293 . 2 2 19 19 G H1 H 1 12.60 . . . . . . . . . . . 4894 2 294 . 2 2 19 19 G H8 H 1 7.29 . . . . . . . . . . . 4894 2 295 . 2 2 19 19 G C8 C 13 135.5 . . . . . . . . . . . 4894 2 296 . 2 2 19 19 G N1 N 15 149.2 . . . . . . . . . . . 4894 2 297 . 2 2 19 19 G H1' H 1 5.87 . . . . . . . . . . . 4894 2 298 . 2 2 19 19 G H2' H 1 4.69 . . . . . . . . . . . 4894 2 299 . 2 2 19 19 G H3' H 1 4.61 . . . . . . . . . . . 4894 2 300 . 2 2 19 19 G H4' H 1 4.51 . . . . . . . . . . . 4894 2 301 . 2 2 19 19 G H5' H 1 4.55 . . . . . . . . . . . 4894 2 302 . 2 2 19 19 G H5'' H 1 4.10 . . . . . . . . . . . 4894 2 303 . 2 2 19 19 G C1' C 13 93.0 . . . . . . . . . . . 4894 2 304 . 2 2 19 19 G C2' C 13 75.3 . . . . . . . . . . . 4894 2 305 . 2 2 19 19 G C3' C 13 74.4 . . . . . . . . . . . 4894 2 306 . 2 2 19 19 G C4' C 13 81.9 . . . . . . . . . . . 4894 2 307 . 2 2 19 19 G C5' C 13 64.6 . . . . . . . . . . . 4894 2 308 . 2 2 20 20 G H1 H 1 12.47 . . . . . . . . . . . 4894 2 309 . 2 2 20 20 G H8 H 1 7.24 . . . . . . . . . . . 4894 2 310 . 2 2 20 20 G C8 C 13 135.5 . . . . . . . . . . . 4894 2 311 . 2 2 20 20 G N1 N 15 148.9 . . . . . . . . . . . 4894 2 312 . 2 2 20 20 G H1' H 1 5.82 . . . . . . . . . . . 4894 2 313 . 2 2 20 20 G H2' H 1 4.66 . . . . . . . . . . . 4894 2 314 . 2 2 20 20 G H3' H 1 4.55 . . . . . . . . . . . 4894 2 315 . 2 2 20 20 G H4' H 1 4.55 . . . . . . . . . . . 4894 2 316 . 2 2 20 20 G H5' H 1 4.52 . . . . . . . . . . . 4894 2 317 . 2 2 20 20 G H5'' H 1 4.12 . . . . . . . . . . . 4894 2 318 . 2 2 20 20 G C1' C 13 93.2 . . . . . . . . . . . 4894 2 319 . 2 2 20 20 G C2' C 13 75.4 . . . . . . . . . . . 4894 2 320 . 2 2 20 20 G C3' C 13 73.0 . . . . . . . . . . . 4894 2 321 . 2 2 20 20 G C4' C 13 82.0 . . . . . . . . . . . 4894 2 322 . 2 2 20 20 G C5' C 13 65.2 . . . . . . . . . . . 4894 2 323 . 2 2 20 20 G P P 31 -3.87 . . 5 . . . . . . . . 4894 2 324 . 2 2 21 21 A H2 H 1 7.78 . . . . . . . . . . . 4894 2 325 . 2 2 21 21 A H8 H 1 7.88 . . . . . . . . . . . 4894 2 326 . 2 2 21 21 A C2 C 13 153.9 . . . . . . . . . . . 4894 2 327 . 2 2 21 21 A C8 C 13 138.7 . . . . . . . . . . . 4894 2 328 . 2 2 21 21 A H1' H 1 6.04 . . . . . . . . . . . 4894 2 329 . 2 2 21 21 A H2' H 1 4.62 . . . . . . . . . . . 4894 2 330 . 2 2 21 21 A H3' H 1 4.67 . . . . . . . . . . . 4894 2 331 . 2 2 21 21 A H4' H 1 4.57 . . . . . . . . . . . 4894 2 332 . 2 2 21 21 A H5' H 1 4.67 . . . . . . . . . . . 4894 2 333 . 2 2 21 21 A H5'' H 1 4.20 . . . . . . . . . . . 4894 2 334 . 2 2 21 21 A C1' C 13 92.8 . . . . . . . . . . . 4894 2 335 . 2 2 21 21 A C2' C 13 75.4 . . . . . . . . . . . 4894 2 336 . 2 2 21 21 A C3' C 13 72.5 . . . . . . . . . . . 4894 2 337 . 2 2 21 21 A C4' C 13 82.0 . . . . . . . . . . . 4894 2 338 . 2 2 21 21 A C5' C 13 54.7 . . . . . . . . . . . 4894 2 339 . 2 2 21 21 A P P 31 -4.26 . . 5 . . . . . . . . 4894 2 340 . 2 2 22 22 C H41 H 1 8.36 . . . . . . . . . . . 4894 2 341 . 2 2 22 22 C H42 H 1 6.97 . . . . . . . . . . . 4894 2 342 . 2 2 22 22 C H5 H 1 7.09 . . . . . . . . . . . 4894 2 343 . 2 2 22 22 C H6 H 1 8.04 . . . . . . . . . . . 4894 2 344 . 2 2 22 22 C C5 C 13 97.8 . . . . . . . . . . . 4894 2 345 . 2 2 22 22 C C6 C 13 139.7 . . . . . . . . . . . 4894 2 346 . 2 2 22 22 C H1' H 1 5.43 . . . . . . . . . . . 4894 2 347 . 2 2 22 22 C H2' H 1 4.47 . . . . . . . . . . . 4894 2 348 . 2 2 22 22 C H3' H 1 4.49 . . . . . . . . . . . 4894 2 349 . 2 2 22 22 C H4' H 1 4.47 . . . . . . . . . . . 4894 2 350 . 2 2 22 22 C H5' H 1 4.57 . . . . . . . . . . . 4894 2 351 . 2 2 22 22 C H5'' H 1 4.13 . . . . . . . . . . . 4894 2 352 . 2 2 22 22 C C1' C 13 93.9 . . . . . . . . . . . 4894 2 353 . 2 2 22 22 C C2' C 13 75.2 . . . . . . . . . . . 4894 2 354 . 2 2 22 22 C C3' C 13 72.2 . . . . . . . . . . . 4894 2 355 . 2 2 22 22 C C4' C 13 82.0 . . . . . . . . . . . 4894 2 356 . 2 2 22 22 C C5' C 13 64.6 . . . . . . . . . . . 4894 2 357 . 2 2 23 23 A H2 H 1 8.04 . . . . . . . . . . . 4894 2 358 . 2 2 23 23 A H61 H 1 7.86 . . . . . . . . . . . 4894 2 359 . 2 2 23 23 A H62 H 1 6.93 . . 5 . . . . . . . . 4894 2 360 . 2 2 23 23 A H8 H 1 7.09 . . . . . . . . . . . 4894 2 361 . 2 2 23 23 A C2 C 13 152.4 . . . . . . . . . . . 4894 2 362 . 2 2 23 23 A C8 C 13 138.9 . . . . . . . . . . . 4894 2 363 . 2 2 23 23 A H1' H 1 5.97 . . . . . . . . . . . 4894 2 364 . 2 2 23 23 A H2' H 1 4.73 . . . . . . . . . . . 4894 2 365 . 2 2 23 23 A H3' H 1 4.77 . . . . . . . . . . . 4894 2 366 . 2 2 23 23 A H4' H 1 4.56 . . . . . . . . . . . 4894 2 367 . 2 2 23 23 A H5' H 1 4.60 . . . . . . . . . . . 4894 2 368 . 2 2 23 23 A H5'' H 1 4.21 . . . . . . . . . . . 4894 2 369 . 2 2 23 23 A C1' C 13 93.0 . . . . . . . . . . . 4894 2 370 . 2 2 23 23 A C2' C 13 75.8 . . . . . . . . . . . 4894 2 371 . 2 2 23 23 A C3' C 13 72.5 . . . . . . . . . . . 4894 2 372 . 2 2 23 23 A C4' C 13 82.0 . . . . . . . . . . . 4894 2 373 . 2 2 23 23 A C5' C 13 65.0 . . . . . . . . . . . 4894 2 374 . 2 2 24 24 G H1 H 1 13.48 . . . . . . . . . . . 4894 2 375 . 2 2 24 24 G H8 H 1 7.31 . . . . . . . . . . . 4894 2 376 . 2 2 24 24 G C8 C 13 135.0 . . . . . . . . . . . 4894 2 377 . 2 2 24 24 G N1 N 15 149.9 . . . . . . . . . . . 4894 2 378 . 2 2 24 24 G H1' H 1 5.66 . . . . . . . . . . . 4894 2 379 . 2 2 24 24 G H2' H 1 4.50 . . . . . . . . . . . 4894 2 380 . 2 2 24 24 G H3' H 1 4.47 . . . . . . . . . . . 4894 2 381 . 2 2 24 24 G H4' H 1 4.50 . . . . . . . . . . . 4894 2 382 . 2 2 24 24 G H5' H 1 4.53 . . . . . . . . . . . 4894 2 383 . 2 2 24 24 G H5'' H 1 4.14 . . . . . . . . . . . 4894 2 384 . 2 2 24 24 G C1' C 13 93.0 . . . . . . . . . . . 4894 2 385 . 2 2 24 24 G C2' C 13 75.3 . . . . . . . . . . . 4894 2 386 . 2 2 24 24 G C3' C 13 72.4 . . . . . . . . . . . 4894 2 387 . 2 2 24 24 G C4' C 13 82.0 . . . . . . . . . . . 4894 2 388 . 2 2 24 24 G C5' C 13 65.1 . . . . . . . . . . . 4894 2 389 . 2 2 25 25 C H41 H 1 8.53 . . . . . . . . . . . 4894 2 390 . 2 2 25 25 C H42 H 1 6.84 . . . . . . . . . . . 4894 2 391 . 2 2 25 25 C H5 H 1 5.21 . . . . . . . . . . . 4894 2 392 . 2 2 25 25 C H6 H 1 7.64 . . . . . . . . . . . 4894 2 393 . 2 2 25 25 C C5 C 13 97.3 . . . . . . . . . . . 4894 2 394 . 2 2 25 25 C C6 C 13 140.4 . . . . . . . . . . . 4894 2 395 . 2 2 25 25 C H1' H 1 5.53 . . . . . . . . . . . 4894 2 396 . 2 2 25 25 C H2' H 1 4.47 . . . . . . . . . . . 4894 2 397 . 2 2 25 25 C H3' H 1 4.49 . . . . . . . . . . . 4894 2 398 . 2 2 25 25 C H4' H 1 4.46 . . . . . . . . . . . 4894 2 399 . 2 2 25 25 C H5' H 1 4.60 . . . . . . . . . . . 4894 2 400 . 2 2 25 25 C H5'' H 1 4.12 . . . . . . . . . . . 4894 2 401 . 2 2 25 25 C C1' C 13 94.3 . . . . . . . . . . . 4894 2 402 . 2 2 25 25 C C2' C 13 75.1 . . . . . . . . . . . 4894 2 403 . 2 2 25 25 C C3' C 13 72.2 . . . . . . . . . . . 4894 2 404 . 2 2 25 25 C C4' C 13 81.9 . . . . . . . . . . . 4894 2 405 . 2 2 25 25 C C5' C 13 64.5 . . . . . . . . . . . 4894 2 406 . 2 2 26 26 U H3 H 1 13.52 . . . . . . . . . . . 4894 2 407 . 2 2 26 26 U H5 H 1 5.47 . . . . . . . . . . . 4894 2 408 . 2 2 26 26 U H6 H 1 7.90 . . . . . . . . . . . 4894 2 409 . 2 2 26 26 U C5 C 13 103.5 . . . . . . . . . . . 4894 2 410 . 2 2 26 26 U C6 C 13 141.4 . . . . . . . . . . . 4894 2 411 . 2 2 26 26 U N3 N 15 163.6 . . . . . . . . . . . 4894 2 412 . 2 2 26 26 U H1' H 1 5.60 . . . . . . . . . . . 4894 2 413 . 2 2 26 26 U H2' H 1 4.73 . . . . . . . . . . . 4894 2 414 . 2 2 26 26 U H3' H 1 4.63 . . . . . . . . . . . 4894 2 415 . 2 2 26 26 U H4' H 1 4.49 . . . . . . . . . . . 4894 2 416 . 2 2 26 26 U H5' H 1 4.60 . . . . . . . . . . . 4894 2 417 . 2 2 26 26 U H5'' H 1 4.16 . . . . . . . . . . . 4894 2 418 . 2 2 26 26 U C1' C 13 93.7 . . . . . . . . . . . 4894 2 419 . 2 2 26 26 U C2' C 13 75.4 . . . . . . . . . . . 4894 2 420 . 2 2 26 26 U C3' C 13 72.6 . . . . . . . . . . . 4894 2 421 . 2 2 26 26 U C4' C 13 81.0 . . . . . . . . . . . 4894 2 422 . 2 2 26 26 U C5' C 13 64.6 . . . . . . . . . . . 4894 2 423 . 2 2 27 27 G H1 H 1 12.65 . . . . . . . . . . . 4894 2 424 . 2 2 27 27 G H8 H 1 7.81 . . . . . . . . . . . 4894 2 425 . 2 2 27 27 G C8 C 13 136.0 . . . . . . . . . . . 4894 2 426 . 2 2 27 27 G N1 N 15 149.0 . . . . . . . . . . . 4894 2 427 . 2 2 27 27 G H1' H 1 5.85 . . . . . . . . . . . 4894 2 428 . 2 2 27 27 G H2' H 1 4.49 . . . . . . . . . . . 4894 2 429 . 2 2 27 27 G H3' H 1 4.64 . . . . . . . . . . . 4894 2 430 . 2 2 27 27 G H4' H 1 4.57 . . . . . . . . . . . 4894 2 431 . 2 2 27 27 G H5' H 1 4.61 . . . . . . . . . . . 4894 2 432 . 2 2 27 27 G H5'' H 1 4.22 . . . . . . . . . . . 4894 2 433 . 2 2 27 27 G C1' C 13 93.2 . . . . . . . . . . . 4894 2 434 . 2 2 27 27 G C2' C 13 75.3 . . . . . . . . . . . 4894 2 435 . 2 2 27 27 G C3' C 13 72.9 . . . . . . . . . . . 4894 2 436 . 2 2 27 27 G C4' C 13 82.0 . . . . . . . . . . . 4894 2 437 . 2 2 27 27 G C5' C 13 65.2 . . . . . . . . . . . 4894 2 438 . 2 2 28 28 U H3 H 1 14.36 . . . . . . . . . . . 4894 2 439 . 2 2 28 28 U H5 H 1 5.17 . . . . . . . . . . . 4894 2 440 . 2 2 28 28 U H6 H 1 7.92 . . . . . . . . . . . 4894 2 441 . 2 2 28 28 U C5 C 13 102.2 . . . . . . . . . . . 4894 2 442 . 2 2 28 28 U C6 C 13 141.4 . . . . . . . . . . . 4894 2 443 . 2 2 28 28 U N3 N 15 164.3 . . . . . . . . . . . 4894 2 444 . 2 2 28 28 U H1' H 1 5.58 . . . . . . . . . . . 4894 2 445 . 2 2 28 28 U H2' H 1 4.50 . . . . . . . . . . . 4894 2 446 . 2 2 28 28 U H3' H 1 4.55 . . . . . . . . . . . 4894 2 447 . 2 2 28 28 U H4' H 1 4.50 . . . . . . . . . . . 4894 2 448 . 2 2 28 28 U H5' H 1 4.63 . . . . . . . . . . . 4894 2 449 . 2 2 28 28 U H5'' H 1 4.16 . . . . . . . . . . . 4894 2 450 . 2 2 28 28 U C1' C 13 93.9 . . . . . . . . . . . 4894 2 451 . 2 2 28 28 U C2' C 13 75.2 . . . . . . . . . . . 4894 2 452 . 2 2 28 28 U C3' C 13 72.5 . . . . . . . . . . . 4894 2 453 . 2 2 28 28 U C4' C 13 82.3 . . . . . . . . . . . 4894 2 454 . 2 2 28 28 U C5' C 13 64.5 . . . . . . . . . . . 4894 2 455 . 2 2 29 29 C H41 H 1 8.53 . . . . . . . . . . . 4894 2 456 . 2 2 29 29 C H42 H 1 7.01 . . . . . . . . . . . 4894 2 457 . 2 2 29 29 C H5 H 1 5.69 . . . . . . . . . . . 4894 2 458 . 2 2 29 29 C H6 H 1 7.98 . . . . . . . . . . . 4894 2 459 . 2 2 29 29 C C5 C 13 97.1 . . . . . . . . . . . 4894 2 460 . 2 2 29 29 C C6 C 13 141.1 . . . . . . . . . . . 4894 2 461 . 2 2 29 29 C N4 N 15 99.2 . . . . . . . . . . . 4894 2 462 . 2 2 29 29 C H1' H 1 5.64 . . . . . . . . . . . 4894 2 463 . 2 2 29 29 C H2' H 1 4.30 . . . . . . . . . . . 4894 2 464 . 2 2 29 29 C H3' H 1 4.53 . . . . . . . . . . . 4894 2 465 . 2 2 29 29 C H4' H 1 4.51 . . . . . . . . . . . 4894 2 466 . 2 2 29 29 C H5' H 1 4.58 . . . . . . . . . . . 4894 2 467 . 2 2 29 29 C H5'' H 1 4.16 . . . . . . . . . . . 4894 2 468 . 2 2 29 29 C C1' C 13 94.1 . . . . . . . . . . . 4894 2 469 . 2 2 29 29 C C2' C 13 75.5 . . . . . . . . . . . 4894 2 470 . 2 2 29 29 C C3' C 13 72.4 . . . . . . . . . . . 4894 2 471 . 2 2 29 29 C C4' C 13 81.9 . . . . . . . . . . . 4894 2 472 . 2 2 29 29 C C5' C 13 64.6 . . . . . . . . . . . 4894 2 473 . 2 2 30 30 C H5 H 1 5.54 . . . . . . . . . . . 4894 2 474 . 2 2 30 30 C H6 H 1 7.72 . . . . . . . . . . . 4894 2 475 . 2 2 30 30 C C5 C 13 98.3 . . . . . . . . . . . 4894 2 476 . 2 2 30 30 C C6 C 13 144.4 . . . . . . . . . . . 4894 2 477 . 2 2 30 30 C H1' H 1 5.75 . . . . . . . . . . . 4894 2 478 . 2 2 30 30 C H2' H 1 4.04 . . . . . . . . . . . 4894 2 479 . 2 2 30 30 C H3' H 1 4.23 . . . . . . . . . . . 4894 2 480 . 2 2 30 30 C H4' H 1 4.23 . . . . . . . . . . . 4894 2 481 . 2 2 30 30 C H5' H 1 4.54 . . . . . . . . . . . 4894 2 482 . 2 2 30 30 C H5'' H 1 4.08 . . . . . . . . . . . 4894 2 483 . 2 2 30 30 C C1' C 13 92.7 . . . . . . . . . . . 4894 2 484 . 2 2 30 30 C C2' C 13 77.6 . . . . . . . . . . . 4894 2 485 . 2 2 30 30 C C3' C 13 69.6 . . . . . . . . . . . 4894 2 486 . 2 2 30 30 C C4' C 13 83.8 . . . . . . . . . . . 4894 2 487 . 2 2 30 30 C C5' C 13 64.6 . . . . . . . . . . . 4894 2 stop_ save_