data_34874 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34874 _Entry.Title ; Solution structure and chemical shift assignments for HMG-D Y12F mutant complexed to a 14:12 dA2 bulge DNA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-11-02 _Entry.Accession_date 2023-11-02 _Entry.Last_release_date 2023-12-18 _Entry.Original_release_date 2023-12-18 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 J. Yang J. C. . . 34874 2 G. Hill G. R. . . 34874 3 D. Neuhaus D. . . . 34874 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DNA BINDING PROTEIN' . 34874 'DNA-binding protein' . 34874 'HMG protein' . 34874 'protein-DNA complex' . 34874 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34874 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 259 34874 '15N chemical shifts' 90 34874 '1H chemical shifts' 750 34874 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2024-09-05 . original BMRB . 34874 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 8R1X 'BMRB Entry Tracking System' 34874 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34874 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 39145407 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; A Single Interfacial Point Mutation Rescues Solution Structure Determination of the Complex of HMG-D with a DNA Bulge ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Chembiochem _Citation.Journal_name_full 'Chembiochem : a European journal of chemical biology' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 1439-7633 _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2024 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Guy Hill G. . . . 34874 1 2 Ji-Chun Yang J. C. . . 34874 1 3 Laura Easton L. . . . 34874 1 4 Rachel Cerdan R. . . . 34874 1 5 Stephen McLaughlin S. . . . 34874 1 6 Katherine Stott K. . . . 34874 1 7 Andrew Travers A. . . . 34874 1 8 David Neuhaus D. . . . 34874 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34874 _Assembly.ID 1 _Assembly.Name 'High mobility group protein D/DNA Complex' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 34874 1 2 unit_2 2 $entity_2 B B yes . . . . . . 34874 1 3 unit_3 3 $entity_3 C C yes . . . . . . 34874 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34874 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSDKPKRPLSAFMLWLNSAR ESIKRENPGIKVTEVAKRGG ELWRAMKDKSEWEAKAAKAK DDYDRAVKEFEANGGSSAAN GGGAKKRAKPAKKVAKKSKK EESDEDDDDESE ; _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 no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 112 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation Y12F _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12426.941 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 34874 1 2 . SER . 34874 1 3 . ASP . 34874 1 4 . LYS . 34874 1 5 . PRO . 34874 1 6 . LYS . 34874 1 7 . ARG . 34874 1 8 . PRO . 34874 1 9 . LEU . 34874 1 10 . SER . 34874 1 11 . ALA . 34874 1 12 . PHE . 34874 1 13 . MET . 34874 1 14 . LEU . 34874 1 15 . TRP . 34874 1 16 . LEU . 34874 1 17 . ASN . 34874 1 18 . SER . 34874 1 19 . ALA . 34874 1 20 . ARG . 34874 1 21 . GLU . 34874 1 22 . SER . 34874 1 23 . ILE . 34874 1 24 . LYS . 34874 1 25 . ARG . 34874 1 26 . GLU . 34874 1 27 . ASN . 34874 1 28 . PRO . 34874 1 29 . GLY . 34874 1 30 . ILE . 34874 1 31 . LYS . 34874 1 32 . VAL . 34874 1 33 . THR . 34874 1 34 . GLU . 34874 1 35 . VAL . 34874 1 36 . ALA . 34874 1 37 . LYS . 34874 1 38 . ARG . 34874 1 39 . GLY . 34874 1 40 . GLY . 34874 1 41 . GLU . 34874 1 42 . LEU . 34874 1 43 . TRP . 34874 1 44 . ARG . 34874 1 45 . ALA . 34874 1 46 . MET . 34874 1 47 . LYS . 34874 1 48 . ASP . 34874 1 49 . LYS . 34874 1 50 . SER . 34874 1 51 . GLU . 34874 1 52 . TRP . 34874 1 53 . GLU . 34874 1 54 . ALA . 34874 1 55 . LYS . 34874 1 56 . ALA . 34874 1 57 . ALA . 34874 1 58 . LYS . 34874 1 59 . ALA . 34874 1 60 . LYS . 34874 1 61 . ASP . 34874 1 62 . ASP . 34874 1 63 . TYR . 34874 1 64 . ASP . 34874 1 65 . ARG . 34874 1 66 . ALA . 34874 1 67 . VAL . 34874 1 68 . LYS . 34874 1 69 . GLU . 34874 1 70 . PHE . 34874 1 71 . GLU . 34874 1 72 . ALA . 34874 1 73 . ASN . 34874 1 74 . GLY . 34874 1 75 . GLY . 34874 1 76 . SER . 34874 1 77 . SER . 34874 1 78 . ALA . 34874 1 79 . ALA . 34874 1 80 . ASN . 34874 1 81 . GLY . 34874 1 82 . GLY . 34874 1 83 . GLY . 34874 1 84 . ALA . 34874 1 85 . LYS . 34874 1 86 . LYS . 34874 1 87 . ARG . 34874 1 88 . ALA . 34874 1 89 . LYS . 34874 1 90 . PRO . 34874 1 91 . ALA . 34874 1 92 . LYS . 34874 1 93 . LYS . 34874 1 94 . VAL . 34874 1 95 . ALA . 34874 1 96 . LYS . 34874 1 97 . LYS . 34874 1 98 . SER . 34874 1 99 . LYS . 34874 1 100 . LYS . 34874 1 101 . GLU . 34874 1 102 . GLU . 34874 1 103 . SER . 34874 1 104 . ASP . 34874 1 105 . GLU . 34874 1 106 . ASP . 34874 1 107 . ASP . 34874 1 108 . ASP . 34874 1 109 . ASP . 34874 1 110 . GLU . 34874 1 111 . SER . 34874 1 112 . GLU . 34874 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 34874 1 . SER 2 2 34874 1 . ASP 3 3 34874 1 . LYS 4 4 34874 1 . PRO 5 5 34874 1 . LYS 6 6 34874 1 . ARG 7 7 34874 1 . PRO 8 8 34874 1 . LEU 9 9 34874 1 . SER 10 10 34874 1 . ALA 11 11 34874 1 . PHE 12 12 34874 1 . MET 13 13 34874 1 . LEU 14 14 34874 1 . TRP 15 15 34874 1 . LEU 16 16 34874 1 . ASN 17 17 34874 1 . SER 18 18 34874 1 . ALA 19 19 34874 1 . ARG 20 20 34874 1 . GLU 21 21 34874 1 . SER 22 22 34874 1 . ILE 23 23 34874 1 . LYS 24 24 34874 1 . ARG 25 25 34874 1 . GLU 26 26 34874 1 . ASN 27 27 34874 1 . PRO 28 28 34874 1 . GLY 29 29 34874 1 . ILE 30 30 34874 1 . LYS 31 31 34874 1 . VAL 32 32 34874 1 . THR 33 33 34874 1 . GLU 34 34 34874 1 . VAL 35 35 34874 1 . ALA 36 36 34874 1 . LYS 37 37 34874 1 . ARG 38 38 34874 1 . GLY 39 39 34874 1 . GLY 40 40 34874 1 . GLU 41 41 34874 1 . LEU 42 42 34874 1 . TRP 43 43 34874 1 . ARG 44 44 34874 1 . ALA 45 45 34874 1 . MET 46 46 34874 1 . LYS 47 47 34874 1 . ASP 48 48 34874 1 . LYS 49 49 34874 1 . SER 50 50 34874 1 . GLU 51 51 34874 1 . TRP 52 52 34874 1 . GLU 53 53 34874 1 . ALA 54 54 34874 1 . LYS 55 55 34874 1 . ALA 56 56 34874 1 . ALA 57 57 34874 1 . LYS 58 58 34874 1 . ALA 59 59 34874 1 . LYS 60 60 34874 1 . ASP 61 61 34874 1 . ASP 62 62 34874 1 . TYR 63 63 34874 1 . ASP 64 64 34874 1 . ARG 65 65 34874 1 . ALA 66 66 34874 1 . VAL 67 67 34874 1 . LYS 68 68 34874 1 . GLU 69 69 34874 1 . PHE 70 70 34874 1 . GLU 71 71 34874 1 . ALA 72 72 34874 1 . ASN 73 73 34874 1 . GLY 74 74 34874 1 . GLY 75 75 34874 1 . SER 76 76 34874 1 . SER 77 77 34874 1 . ALA 78 78 34874 1 . ALA 79 79 34874 1 . ASN 80 80 34874 1 . GLY 81 81 34874 1 . GLY 82 82 34874 1 . GLY 83 83 34874 1 . ALA 84 84 34874 1 . LYS 85 85 34874 1 . LYS 86 86 34874 1 . ARG 87 87 34874 1 . ALA 88 88 34874 1 . LYS 89 89 34874 1 . PRO 90 90 34874 1 . ALA 91 91 34874 1 . LYS 92 92 34874 1 . LYS 93 93 34874 1 . VAL 94 94 34874 1 . ALA 95 95 34874 1 . LYS 96 96 34874 1 . LYS 97 97 34874 1 . SER 98 98 34874 1 . LYS 99 99 34874 1 . LYS 100 100 34874 1 . GLU 101 101 34874 1 . GLU 102 102 34874 1 . SER 103 103 34874 1 . ASP 104 104 34874 1 . GLU 105 105 34874 1 . ASP 106 106 34874 1 . ASP 107 107 34874 1 . ASP 108 108 34874 1 . ASP 109 109 34874 1 . GLU 110 110 34874 1 . SER 111 111 34874 1 . GLU 112 112 34874 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 34874 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; CGATATTAAGAGCC ; _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 no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 14 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4288.817 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . DC . 34874 2 2 . DG . 34874 2 3 . DA . 34874 2 4 . DT . 34874 2 5 . DA . 34874 2 6 . DT . 34874 2 7 . DT . 34874 2 8 . DA . 34874 2 9 . DA . 34874 2 10 . DG . 34874 2 11 . DA . 34874 2 12 . DG . 34874 2 13 . DC . 34874 2 14 . DC . 34874 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 . DC 1 1 34874 2 . DG 2 2 34874 2 . DA 3 3 34874 2 . DT 4 4 34874 2 . DA 5 5 34874 2 . DT 6 6 34874 2 . DT 7 7 34874 2 . DA 8 8 34874 2 . DA 9 9 34874 2 . DG 10 10 34874 2 . DA 11 11 34874 2 . DG 12 12 34874 2 . DC 13 13 34874 2 . DC 14 14 34874 2 stop_ save_ save_entity_3 _Entity.Sf_category entity _Entity.Sf_framecode entity_3 _Entity.Entry_ID 34874 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name entity_3 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID C _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GGCTCAATATCG ; _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 no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 12 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3662.404 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 15 DG . 34874 3 2 16 DG . 34874 3 3 17 DC . 34874 3 4 18 DT . 34874 3 5 19 DC . 34874 3 6 20 DA . 34874 3 7 21 DA . 34874 3 8 22 DT . 34874 3 9 23 DA . 34874 3 10 24 DT . 34874 3 11 25 DC . 34874 3 12 26 DG . 34874 3 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 . DG 1 1 34874 3 . DG 2 2 34874 3 . DC 3 3 34874 3 . DT 4 4 34874 3 . DC 5 5 34874 3 . DA 6 6 34874 3 . DA 7 7 34874 3 . DT 8 8 34874 3 . DA 9 9 34874 3 . DT 10 10 34874 3 . DC 11 11 34874 3 . DG 12 12 34874 3 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 34874 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 7227 organism . 'Drosophila melanogaster' 'fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . HmgD . 34874 1 2 2 $entity_2 . 32644 'no natural source' . unidentified . . . . . . . . . . . . . . . . . . . . 34874 1 3 3 $entity_3 . 32644 'no natural source' . unidentified . . . . . . . . . . . . . . . . . . . . 34874 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 34874 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . . . . . . . . . . . 34874 1 2 2 $entity_2 . 'chemical synthesis' . . . . . . . . . . . . . . . ; The DNA ligand (chains B and C) was designed to be a structural mimic of bent DNA; it is not based on any specific natural sequence. ; 34874 1 3 3 $entity_3 . 'chemical synthesis' . . . . . . . . . . . . . . . ; The DNA ligand (chains B and C) was designed to be a structural mimic of bent DNA; it is not based on any specific natural sequence. ; 34874 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34874 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.8 mM [U-13C; U-15N] HMG-D Y12F, 1.8 mM DNA (5'-D(*CP*GP*AP*TP*AP*TP*TP*AP*AP*GP*AP*GP*CP*C)-3'), 1.8 mM DNA (5'-D(*GP*GP*CP*TP*CP*AP*AP*TP*AP*TP*CP*G)-3'), 10 mM sodium phosphate, 20 mM sodium chloride, 3 mM sodium azide, 95% H2O/5% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HMG-D Y12F' '[U-13C; U-15N]' 1 $assembly 1 $entity_1 . . 1.8 . . mM . . . . 34874 1 2 "DNA (5'-D(*CP*GP*AP*TP*AP*TP*TP*AP*AP*GP*AP*GP*CP*C)-3')" 'natural abundance' 1 $assembly 2 $entity_2 . . 1.8 . . mM . . . . 34874 1 3 "DNA (5'-D(*GP*GP*CP*TP*CP*AP*AP*TP*AP*TP*CP*G)-3')" 'natural abundance' 1 $assembly 3 $entity_3 . . 1.8 . . mM . . . . 34874 1 4 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 34874 1 5 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 34874 1 6 'sodium azide' 'natural abundance' . . . . . . 3 . . mM . . . . 34874 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34874 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.8 mM [U-13C; U-15N] HMG-D Y12F, 1.8 mM DNA (5'-D(*CP*GP*AP*TP*AP*TP*TP*AP*AP*GP*AP*GP*CP*C)-3'), 1.8 mM DNA (5'-D(*GP*GP*CP*TP*CP*AP*AP*TP*AP*TP*CP*G)-3'), 10 mM sodium phosphate, 20 mM sodium chloride, 3 mM sodium azide, 100% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HMG-D Y12F' '[U-13C; U-15N]' 1 $assembly 1 $entity_1 . . 1.8 . . mM . . . . 34874 2 2 "DNA (5'-D(*CP*GP*AP*TP*AP*TP*TP*AP*AP*GP*AP*GP*CP*C)-3')" 'natural abundance' 1 $assembly 2 $entity_2 . . 1.8 . . mM . . . . 34874 2 3 "DNA (5'-D(*GP*GP*CP*TP*CP*AP*AP*TP*AP*TP*CP*G)-3')" 'natural abundance' 1 $assembly 3 $entity_3 . . 1.8 . . mM . . . . 34874 2 4 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 34874 2 5 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 34874 2 6 'sodium azide' 'natural abundance' . . . . . . 3 . . mM . . . . 34874 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 34874 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 83 . mM 34874 1 pH 6.0 . pH 34874 1 pressure 1 . atm 34874 1 temperature 300 . K 34874 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34874 _Software.ID 1 _Software.Type . _Software.Name TopSpin _Software.Version '3.2 and 3.5' _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34874 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 34874 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34874 _Software.ID 2 _Software.Type . _Software.Name Sparky _Software.Version 3.115 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 34874 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34874 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34874 _Software.ID 3 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version 2.28 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 34874 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34874 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34874 _Software.ID 4 _Software.Type . _Software.Name Amber _Software.Version 11 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 34874 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34874 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34874 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34874 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 34874 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 NMR_spectrometer_1 Bruker AVANCE . 500 . . . 34874 1 2 NMR_spectrometer_2 Bruker AVANCE . 800 . . . 34874 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 34874 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34874 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34874 1 3 '2D 1H-1H NOESY (mixing time = 60 ms)' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34874 1 4 '2D 1H-1H NOESY (mixing time = 150 ms)' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34874 1 5 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34874 1 6 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34874 1 7 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34874 1 8 '3D HBHANH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34874 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34874 1 10 '3D HCCH-COSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34874 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34874 1 12 '3D 1H-15N NOESY (mixing time = 150 ms)' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34874 1 13 '3D 1H-13C NOESY aliphatic (mixing time = 150 ms)' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34874 1 14 '3D 1H-13C NOESY aromatic (mixing time = 150 ms)' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34874 1 15 '2D [13C,15N]-filtered [1H-1H] NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . ; (mixing time = 100 ms, with filter elements set to reject 13C and 15N coupled signals in F1 and to accept only 13C coupled signals in F2) ; 34874 1 16 '2D [13C,15N]-filtered [1H-1H] NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . ; (mixing time = 200 ms, with filter elements set to reject 13C and 15N coupled signals in F1 and to accept only 13C coupled signals in F2) ; 34874 1 17 '13C-filtered 13C NOESY-HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . '(mixing time = 150 ms, with filter elements set to reject 13C- and 15N-coupled (protein) signals in F1)' 34874 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34874 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TSP 'methyl protons' . . . . ppm 0.00 external indirect 0.251449530 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . 34874 1 H 1 TSP 'methyl protons' . . . . ppm 0.00 external direct 1.00 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . 34874 1 N 15 TSP 'methyl protons' . . . . ppm 0.00 external indirect 0.101329118 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . 34874 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34874 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 34874 1 2 '2D 1H-13C HSQC' . . . 34874 1 3 '2D 1H-1H NOESY (mixing time = 60 ms)' . . . 34874 1 4 '2D 1H-1H NOESY (mixing time = 150 ms)' . . . 34874 1 5 '3D HNCA' . . . 34874 1 6 '3D HN(CO)CA' . . . 34874 1 7 '3D HNCACB' . . . 34874 1 8 '3D HBHANH' . . . 34874 1 9 '3D HBHA(CO)NH' . . . 34874 1 10 '3D HCCH-COSY' . . . 34874 1 11 '3D HCCH-TOCSY' . . . 34874 1 12 '3D 1H-15N NOESY (mixing time = 150 ms)' . . . 34874 1 13 '3D 1H-13C NOESY aliphatic (mixing time = 150 ms)' . . . 34874 1 14 '3D 1H-13C NOESY aromatic (mixing time = 150 ms)' . . . 34874 1 15 '2D [13C,15N]-filtered [1H-1H] NOESY' . . . 34874 1 16 '2D [13C,15N]-filtered [1H-1H] NOESY' . . . 34874 1 17 '13C-filtered 13C NOESY-HSQC' . . . 34874 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 MET HE1 H 1 1.375 0.02 . 1 . . . . A 1 MET HE1 . 34874 1 2 . 1 . 1 1 1 MET HE2 H 1 1.375 0.02 . 1 . . . . A 1 MET HE2 . 34874 1 3 . 1 . 1 1 1 MET HE3 H 1 1.375 0.02 . 1 . . . . A 1 MET HE3 . 34874 1 4 . 1 . 1 1 1 MET CE C 13 15.618 0.10 . 1 . . . . A 1 MET CE . 34874 1 5 . 1 . 1 2 2 SER HA H 1 4.191 0.02 . 1 . . . . A 2 SER HA . 34874 1 6 . 1 . 1 2 2 SER HB2 H 1 4.062 0.02 . 2 . . . . A 2 SER HB2 . 34874 1 7 . 1 . 1 2 2 SER HB3 H 1 4.062 0.02 . 2 . . . . A 2 SER HB3 . 34874 1 8 . 1 . 1 2 2 SER CA C 13 57.993 0.10 . 1 . . . . A 2 SER CA . 34874 1 9 . 1 . 1 2 2 SER CB C 13 63.760 0.10 . 1 . . . . A 2 SER CB . 34874 1 10 . 1 . 1 3 3 ASP H H 1 8.749 0.02 . 1 . . . . A 3 ASP H . 34874 1 11 . 1 . 1 3 3 ASP HA H 1 4.782 0.02 . 1 . . . . A 3 ASP HA . 34874 1 12 . 1 . 1 3 3 ASP HB2 H 1 2.720 0.02 . 2 . . . . A 3 ASP HB2 . 34874 1 13 . 1 . 1 3 3 ASP HB3 H 1 2.556 0.02 . 2 . . . . A 3 ASP HB3 . 34874 1 14 . 1 . 1 3 3 ASP CA C 13 54.445 0.10 . 1 . . . . A 3 ASP CA . 34874 1 15 . 1 . 1 3 3 ASP CB C 13 42.190 0.10 . 1 . . . . A 3 ASP CB . 34874 1 16 . 1 . 1 3 3 ASP N N 15 121.473 0.10 . 1 . . . . A 3 ASP N . 34874 1 17 . 1 . 1 4 4 LYS H H 1 8.269 0.02 . 1 . . . . A 4 LYS H . 34874 1 18 . 1 . 1 4 4 LYS HA H 1 3.295 0.02 . 1 . . . . A 4 LYS HA . 34874 1 19 . 1 . 1 4 4 LYS HB2 H 1 1.526 0.02 . 2 . . . . A 4 LYS HB2 . 34874 1 20 . 1 . 1 4 4 LYS HB3 H 1 1.363 0.02 . 2 . . . . A 4 LYS HB3 . 34874 1 21 . 1 . 1 4 4 LYS HG2 H 1 1.253 0.02 . 2 . . . . A 4 LYS HG2 . 34874 1 22 . 1 . 1 4 4 LYS HG3 H 1 1.006 0.02 . 2 . . . . A 4 LYS HG3 . 34874 1 23 . 1 . 1 4 4 LYS HD2 H 1 1.624 0.02 . 2 . . . . A 4 LYS HD2 . 34874 1 24 . 1 . 1 4 4 LYS HD3 H 1 1.624 0.02 . 2 . . . . A 4 LYS HD3 . 34874 1 25 . 1 . 1 4 4 LYS HE2 H 1 3.012 0.02 . 2 . . . . A 4 LYS HE2 . 34874 1 26 . 1 . 1 4 4 LYS HE3 H 1 3.012 0.02 . 2 . . . . A 4 LYS HE3 . 34874 1 27 . 1 . 1 4 4 LYS CA C 13 54.934 0.10 . 1 . . . . A 4 LYS CA . 34874 1 28 . 1 . 1 4 4 LYS CB C 13 32.925 0.10 . 1 . . . . A 4 LYS CB . 34874 1 29 . 1 . 1 4 4 LYS CG C 13 24.805 0.10 . 1 . . . . A 4 LYS CG . 34874 1 30 . 1 . 1 4 4 LYS CD C 13 29.987 0.10 . 1 . . . . A 4 LYS CD . 34874 1 31 . 1 . 1 4 4 LYS N N 15 123.241 0.10 . 1 . . . . A 4 LYS N . 34874 1 32 . 1 . 1 5 5 PRO HA H 1 4.336 0.02 . 1 . . . . A 5 PRO HA . 34874 1 33 . 1 . 1 5 5 PRO HB2 H 1 2.291 0.02 . 2 . . . . A 5 PRO HB2 . 34874 1 34 . 1 . 1 5 5 PRO HB3 H 1 1.886 0.02 . 2 . . . . A 5 PRO HB3 . 34874 1 35 . 1 . 1 5 5 PRO HG2 H 1 1.657 0.02 . 2 . . . . A 5 PRO HG2 . 34874 1 36 . 1 . 1 5 5 PRO HG3 H 1 1.720 0.02 . 2 . . . . A 5 PRO HG3 . 34874 1 37 . 1 . 1 5 5 PRO HD2 H 1 3.031 0.02 . 2 . . . . A 5 PRO HD2 . 34874 1 38 . 1 . 1 5 5 PRO HD3 H 1 3.255 0.02 . 2 . . . . A 5 PRO HD3 . 34874 1 39 . 1 . 1 5 5 PRO CA C 13 63.343 0.10 . 1 . . . . A 5 PRO CA . 34874 1 40 . 1 . 1 5 5 PRO CB C 13 32.221 0.10 . 1 . . . . A 5 PRO CB . 34874 1 41 . 1 . 1 5 5 PRO CG C 13 27.989 0.10 . 1 . . . . A 5 PRO CG . 34874 1 42 . 1 . 1 5 5 PRO CD C 13 50.581 0.10 . 1 . . . . A 5 PRO CD . 34874 1 43 . 1 . 1 6 6 LYS H H 1 8.416 0.02 . 1 . . . . A 6 LYS H . 34874 1 44 . 1 . 1 6 6 LYS HA H 1 4.330 0.02 . 1 . . . . A 6 LYS HA . 34874 1 45 . 1 . 1 6 6 LYS HD2 H 1 1.809 0.02 . 2 . . . . A 6 LYS HD2 . 34874 1 46 . 1 . 1 6 6 LYS HD3 H 1 1.809 0.02 . 2 . . . . A 6 LYS HD3 . 34874 1 47 . 1 . 1 6 6 LYS HE2 H 1 3.106 0.02 . 2 . . . . A 6 LYS HE2 . 34874 1 48 . 1 . 1 6 6 LYS HE3 H 1 3.106 0.02 . 2 . . . . A 6 LYS HE3 . 34874 1 49 . 1 . 1 6 6 LYS N N 15 122.769 0.10 . 1 . . . . A 6 LYS N . 34874 1 50 . 1 . 1 7 7 ARG H H 1 8.379 0.02 . 1 . . . . A 7 ARG H . 34874 1 51 . 1 . 1 7 7 ARG HA H 1 3.659 0.02 . 1 . . . . A 7 ARG HA . 34874 1 52 . 1 . 1 7 7 ARG HB2 H 1 1.626 0.02 . 2 . . . . A 7 ARG HB2 . 34874 1 53 . 1 . 1 7 7 ARG HB3 H 1 1.917 0.02 . 2 . . . . A 7 ARG HB3 . 34874 1 54 . 1 . 1 7 7 ARG HG2 H 1 1.819 0.02 . 2 . . . . A 7 ARG HG2 . 34874 1 55 . 1 . 1 7 7 ARG HG3 H 1 1.862 0.02 . 2 . . . . A 7 ARG HG3 . 34874 1 56 . 1 . 1 7 7 ARG HD2 H 1 3.204 0.02 . 2 . . . . A 7 ARG HD2 . 34874 1 57 . 1 . 1 7 7 ARG HD3 H 1 3.204 0.02 . 2 . . . . A 7 ARG HD3 . 34874 1 58 . 1 . 1 7 7 ARG CA C 13 57.622 0.10 . 1 . . . . A 7 ARG CA . 34874 1 59 . 1 . 1 7 7 ARG CB C 13 30.518 0.10 . 1 . . . . A 7 ARG CB . 34874 1 60 . 1 . 1 7 7 ARG CD C 13 45.605 0.10 . 1 . . . . A 7 ARG CD . 34874 1 61 . 1 . 1 7 7 ARG N N 15 121.573 0.10 . 1 . . . . A 7 ARG N . 34874 1 62 . 1 . 1 8 8 PRO HA H 1 4.402 0.02 . 1 . . . . A 8 PRO HA . 34874 1 63 . 1 . 1 8 8 PRO HB2 H 1 2.104 0.02 . 2 . . . . A 8 PRO HB2 . 34874 1 64 . 1 . 1 8 8 PRO HB3 H 1 1.880 0.02 . 2 . . . . A 8 PRO HB3 . 34874 1 65 . 1 . 1 8 8 PRO HD2 H 1 2.987 0.02 . 2 . . . . A 8 PRO HD2 . 34874 1 66 . 1 . 1 8 8 PRO HD3 H 1 2.411 0.02 . 2 . . . . A 8 PRO HD3 . 34874 1 67 . 1 . 1 8 8 PRO CA C 13 62.238 0.10 . 1 . . . . A 8 PRO CA . 34874 1 68 . 1 . 1 8 8 PRO CB C 13 32.246 0.10 . 1 . . . . A 8 PRO CB . 34874 1 69 . 1 . 1 8 8 PRO CD C 13 49.129 0.10 . 1 . . . . A 8 PRO CD . 34874 1 70 . 1 . 1 9 9 LEU H H 1 7.864 0.02 . 1 . . . . A 9 LEU H . 34874 1 71 . 1 . 1 9 9 LEU HA H 1 4.313 0.02 . 1 . . . . A 9 LEU HA . 34874 1 72 . 1 . 1 9 9 LEU HB2 H 1 1.512 0.02 . 2 . . . . A 9 LEU HB2 . 34874 1 73 . 1 . 1 9 9 LEU HB3 H 1 1.512 0.02 . 2 . . . . A 9 LEU HB3 . 34874 1 74 . 1 . 1 9 9 LEU HG H 1 1.734 0.02 . 1 . . . . A 9 LEU HG . 34874 1 75 . 1 . 1 9 9 LEU HD11 H 1 0.843 0.02 . 2 . . . . A 9 LEU HD11 . 34874 1 76 . 1 . 1 9 9 LEU HD12 H 1 0.843 0.02 . 2 . . . . A 9 LEU HD12 . 34874 1 77 . 1 . 1 9 9 LEU HD13 H 1 0.843 0.02 . 2 . . . . A 9 LEU HD13 . 34874 1 78 . 1 . 1 9 9 LEU HD21 H 1 0.800 0.02 . 2 . . . . A 9 LEU HD21 . 34874 1 79 . 1 . 1 9 9 LEU HD22 H 1 0.800 0.02 . 2 . . . . A 9 LEU HD22 . 34874 1 80 . 1 . 1 9 9 LEU HD23 H 1 0.800 0.02 . 2 . . . . A 9 LEU HD23 . 34874 1 81 . 1 . 1 9 9 LEU CA C 13 55.100 0.10 . 1 . . . . A 9 LEU CA . 34874 1 82 . 1 . 1 9 9 LEU CB C 13 43.729 0.10 . 1 . . . . A 9 LEU CB . 34874 1 83 . 1 . 1 9 9 LEU CG C 13 28.359 0.10 . 1 . . . . A 9 LEU CG . 34874 1 84 . 1 . 1 9 9 LEU CD1 C 13 25.686 0.10 . 2 . . . . A 9 LEU CD1 . 34874 1 85 . 1 . 1 9 9 LEU CD2 C 13 24.499 0.10 . 2 . . . . A 9 LEU CD2 . 34874 1 86 . 1 . 1 9 9 LEU N N 15 120.973 0.10 . 1 . . . . A 9 LEU N . 34874 1 87 . 1 . 1 10 10 SER H H 1 7.908 0.02 . 1 . . . . A 10 SER H . 34874 1 88 . 1 . 1 10 10 SER HA H 1 4.221 0.02 . 1 . . . . A 10 SER HA . 34874 1 89 . 1 . 1 10 10 SER CA C 13 56.837 0.10 . 1 . . . . A 10 SER CA . 34874 1 90 . 1 . 1 10 10 SER CB C 13 65.097 0.10 . 1 . . . . A 10 SER CB . 34874 1 91 . 1 . 1 10 10 SER N N 15 114.270 0.10 . 1 . . . . A 10 SER N . 34874 1 92 . 1 . 1 11 11 ALA H H 1 9.079 0.02 . 1 . . . . A 11 ALA H . 34874 1 93 . 1 . 1 11 11 ALA HA H 1 4.040 0.02 . 1 . . . . A 11 ALA HA . 34874 1 94 . 1 . 1 11 11 ALA HB1 H 1 1.641 0.02 . 1 . . . . A 11 ALA HB1 . 34874 1 95 . 1 . 1 11 11 ALA HB2 H 1 1.641 0.02 . 1 . . . . A 11 ALA HB2 . 34874 1 96 . 1 . 1 11 11 ALA HB3 H 1 1.641 0.02 . 1 . . . . A 11 ALA HB3 . 34874 1 97 . 1 . 1 11 11 ALA CA C 13 56.652 0.10 . 1 . . . . A 11 ALA CA . 34874 1 98 . 1 . 1 11 11 ALA CB C 13 18.611 0.10 . 1 . . . . A 11 ALA CB . 34874 1 99 . 1 . 1 11 11 ALA N N 15 122.509 0.10 . 1 . . . . A 11 ALA N . 34874 1 100 . 1 . 1 12 12 PHE H H 1 8.051 0.02 . 1 . . . . A 12 PHE H . 34874 1 101 . 1 . 1 12 12 PHE HA H 1 3.874 0.02 . 1 . . . . A 12 PHE HA . 34874 1 102 . 1 . 1 12 12 PHE HB2 H 1 2.327 0.02 . 2 . . . . A 12 PHE HB2 . 34874 1 103 . 1 . 1 12 12 PHE HB3 H 1 2.327 0.02 . 2 . . . . A 12 PHE HB3 . 34874 1 104 . 1 . 1 12 12 PHE HD1 H 1 5.907 0.02 . 3 . . . . A 12 PHE HD1 . 34874 1 105 . 1 . 1 12 12 PHE HD2 H 1 5.907 0.02 . 3 . . . . A 12 PHE HD2 . 34874 1 106 . 1 . 1 12 12 PHE HE1 H 1 6.899 0.02 . 3 . . . . A 12 PHE HE1 . 34874 1 107 . 1 . 1 12 12 PHE HE2 H 1 6.899 0.02 . 3 . . . . A 12 PHE HE2 . 34874 1 108 . 1 . 1 12 12 PHE HZ H 1 6.992 0.02 . 1 . . . . A 12 PHE HZ . 34874 1 109 . 1 . 1 12 12 PHE CA C 13 60.250 0.10 . 1 . . . . A 12 PHE CA . 34874 1 110 . 1 . 1 12 12 PHE CB C 13 39.626 0.10 . 1 . . . . A 12 PHE CB . 34874 1 111 . 1 . 1 12 12 PHE CD1 C 13 132.612 0.10 . 3 . . . . A 12 PHE CD1 . 34874 1 112 . 1 . 1 12 12 PHE CD2 C 13 132.612 0.10 . 3 . . . . A 12 PHE CD2 . 34874 1 113 . 1 . 1 12 12 PHE CE1 C 13 130.690 0.10 . 3 . . . . A 12 PHE CE1 . 34874 1 114 . 1 . 1 12 12 PHE CE2 C 13 130.690 0.10 . 3 . . . . A 12 PHE CE2 . 34874 1 115 . 1 . 1 12 12 PHE CZ C 13 128.912 0.10 . 1 . . . . A 12 PHE CZ . 34874 1 116 . 1 . 1 12 12 PHE N N 15 114.980 0.10 . 1 . . . . A 12 PHE N . 34874 1 117 . 1 . 1 13 13 MET H H 1 7.333 0.02 . 1 . . . . A 13 MET H . 34874 1 118 . 1 . 1 13 13 MET HA H 1 3.834 0.02 . 1 . . . . A 13 MET HA . 34874 1 119 . 1 . 1 13 13 MET HE1 H 1 1.684 0.02 . 1 . . . . A 13 MET HE1 . 34874 1 120 . 1 . 1 13 13 MET HE2 H 1 1.684 0.02 . 1 . . . . A 13 MET HE2 . 34874 1 121 . 1 . 1 13 13 MET HE3 H 1 1.684 0.02 . 1 . . . . A 13 MET HE3 . 34874 1 122 . 1 . 1 13 13 MET CA C 13 55.973 0.10 . 1 . . . . A 13 MET CA . 34874 1 123 . 1 . 1 13 13 MET CE C 13 15.639 0.10 . 1 . . . . A 13 MET CE . 34874 1 124 . 1 . 1 13 13 MET N N 15 117.884 0.10 . 1 . . . . A 13 MET N . 34874 1 125 . 1 . 1 14 14 LEU H H 1 8.339 0.02 . 1 . . . . A 14 LEU H . 34874 1 126 . 1 . 1 14 14 LEU HA H 1 3.862 0.02 . 1 . . . . A 14 LEU HA . 34874 1 127 . 1 . 1 14 14 LEU HB2 H 1 1.624 0.02 . 2 . . . . A 14 LEU HB2 . 34874 1 128 . 1 . 1 14 14 LEU HB3 H 1 2.214 0.02 . 2 . . . . A 14 LEU HB3 . 34874 1 129 . 1 . 1 14 14 LEU HG H 1 2.213 0.02 . 1 . . . . A 14 LEU HG . 34874 1 130 . 1 . 1 14 14 LEU HD11 H 1 0.866 0.02 . 2 . . . . A 14 LEU HD11 . 34874 1 131 . 1 . 1 14 14 LEU HD12 H 1 0.866 0.02 . 2 . . . . A 14 LEU HD12 . 34874 1 132 . 1 . 1 14 14 LEU HD13 H 1 0.866 0.02 . 2 . . . . A 14 LEU HD13 . 34874 1 133 . 1 . 1 14 14 LEU HD21 H 1 0.976 0.02 . 2 . . . . A 14 LEU HD21 . 34874 1 134 . 1 . 1 14 14 LEU HD22 H 1 0.976 0.02 . 2 . . . . A 14 LEU HD22 . 34874 1 135 . 1 . 1 14 14 LEU HD23 H 1 0.976 0.02 . 2 . . . . A 14 LEU HD23 . 34874 1 136 . 1 . 1 14 14 LEU CA C 13 58.509 0.10 . 1 . . . . A 14 LEU CA . 34874 1 137 . 1 . 1 14 14 LEU CB C 13 42.738 0.10 . 1 . . . . A 14 LEU CB . 34874 1 138 . 1 . 1 14 14 LEU CD1 C 13 26.281 0.10 . 2 . . . . A 14 LEU CD1 . 34874 1 139 . 1 . 1 14 14 LEU CD2 C 13 24.517 0.10 . 2 . . . . A 14 LEU CD2 . 34874 1 140 . 1 . 1 14 14 LEU N N 15 120.517 0.10 . 1 . . . . A 14 LEU N . 34874 1 141 . 1 . 1 15 15 TRP H H 1 7.966 0.02 . 1 . . . . A 15 TRP H . 34874 1 142 . 1 . 1 15 15 TRP HA H 1 2.294 0.02 . 1 . . . . A 15 TRP HA . 34874 1 143 . 1 . 1 15 15 TRP HD1 H 1 6.057 0.02 . 1 . . . . A 15 TRP HD1 . 34874 1 144 . 1 . 1 15 15 TRP HE1 H 1 9.832 0.02 . 1 . . . . A 15 TRP HE1 . 34874 1 145 . 1 . 1 15 15 TRP HE3 H 1 6.807 0.02 . 1 . . . . A 15 TRP HE3 . 34874 1 146 . 1 . 1 15 15 TRP HZ2 H 1 7.188 0.02 . 1 . . . . A 15 TRP HZ2 . 34874 1 147 . 1 . 1 15 15 TRP HZ3 H 1 6.668 0.02 . 1 . . . . A 15 TRP HZ3 . 34874 1 148 . 1 . 1 15 15 TRP HH2 H 1 7.114 0.02 . 1 . . . . A 15 TRP HH2 . 34874 1 149 . 1 . 1 15 15 TRP CA C 13 60.279 0.10 . 1 . . . . A 15 TRP CA . 34874 1 150 . 1 . 1 15 15 TRP CB C 13 27.687 0.10 . 1 . . . . A 15 TRP CB . 34874 1 151 . 1 . 1 15 15 TRP CD1 C 13 125.847 0.10 . 1 . . . . A 15 TRP CD1 . 34874 1 152 . 1 . 1 15 15 TRP CE3 C 13 120.953 0.10 . 1 . . . . A 15 TRP CE3 . 34874 1 153 . 1 . 1 15 15 TRP CZ2 C 13 113.393 0.10 . 1 . . . . A 15 TRP CZ2 . 34874 1 154 . 1 . 1 15 15 TRP CZ3 C 13 121.537 0.10 . 1 . . . . A 15 TRP CZ3 . 34874 1 155 . 1 . 1 15 15 TRP CH2 C 13 124.124 0.10 . 1 . . . . A 15 TRP CH2 . 34874 1 156 . 1 . 1 15 15 TRP N N 15 122.029 0.10 . 1 . . . . A 15 TRP N . 34874 1 157 . 1 . 1 15 15 TRP NE1 N 15 128.797 0.10 . 1 . . . . A 15 TRP NE1 . 34874 1 158 . 1 . 1 16 16 LEU H H 1 9.038 0.02 . 1 . . . . A 16 LEU H . 34874 1 159 . 1 . 1 16 16 LEU HA H 1 2.301 0.02 . 1 . . . . A 16 LEU HA . 34874 1 160 . 1 . 1 16 16 LEU HB2 H 1 1.145 0.02 . 2 . . . . A 16 LEU HB2 . 34874 1 161 . 1 . 1 16 16 LEU HB3 H 1 0.269 0.02 . 2 . . . . A 16 LEU HB3 . 34874 1 162 . 1 . 1 16 16 LEU HD11 H 1 0.365 0.02 . 2 . . . . A 16 LEU HD11 . 34874 1 163 . 1 . 1 16 16 LEU HD12 H 1 0.365 0.02 . 2 . . . . A 16 LEU HD12 . 34874 1 164 . 1 . 1 16 16 LEU HD13 H 1 0.365 0.02 . 2 . . . . A 16 LEU HD13 . 34874 1 165 . 1 . 1 16 16 LEU HD21 H 1 0.655 0.02 . 2 . . . . A 16 LEU HD21 . 34874 1 166 . 1 . 1 16 16 LEU HD22 H 1 0.655 0.02 . 2 . . . . A 16 LEU HD22 . 34874 1 167 . 1 . 1 16 16 LEU HD23 H 1 0.655 0.02 . 2 . . . . A 16 LEU HD23 . 34874 1 168 . 1 . 1 16 16 LEU CA C 13 57.666 0.10 . 1 . . . . A 16 LEU CA . 34874 1 169 . 1 . 1 16 16 LEU CB C 13 40.262 0.10 . 1 . . . . A 16 LEU CB . 34874 1 170 . 1 . 1 16 16 LEU CD1 C 13 23.624 0.10 . 2 . . . . A 16 LEU CD1 . 34874 1 171 . 1 . 1 16 16 LEU CD2 C 13 26.723 0.10 . 2 . . . . A 16 LEU CD2 . 34874 1 172 . 1 . 1 16 16 LEU N N 15 123.892 0.10 . 1 . . . . A 16 LEU N . 34874 1 173 . 1 . 1 17 17 ASN H H 1 7.911 0.02 . 1 . . . . A 17 ASN H . 34874 1 174 . 1 . 1 17 17 ASN HA H 1 4.216 0.02 . 1 . . . . A 17 ASN HA . 34874 1 175 . 1 . 1 17 17 ASN HB2 H 1 2.717 0.02 . 2 . . . . A 17 ASN HB2 . 34874 1 176 . 1 . 1 17 17 ASN HB3 H 1 2.614 0.02 . 2 . . . . A 17 ASN HB3 . 34874 1 177 . 1 . 1 17 17 ASN HD21 H 1 7.274 0.02 . 2 . . . . A 17 ASN HD21 . 34874 1 178 . 1 . 1 17 17 ASN HD22 H 1 6.273 0.02 . 2 . . . . A 17 ASN HD22 . 34874 1 179 . 1 . 1 17 17 ASN CA C 13 55.785 0.10 . 1 . . . . A 17 ASN CA . 34874 1 180 . 1 . 1 17 17 ASN CB C 13 37.388 0.10 . 1 . . . . A 17 ASN CB . 34874 1 181 . 1 . 1 17 17 ASN N N 15 115.064 0.10 . 1 . . . . A 17 ASN N . 34874 1 182 . 1 . 1 17 17 ASN ND2 N 15 107.596 0.10 . 1 . . . . A 17 ASN ND2 . 34874 1 183 . 1 . 1 18 18 SER H H 1 7.209 0.02 . 1 . . . . A 18 SER H . 34874 1 184 . 1 . 1 18 18 SER HA H 1 4.292 0.02 . 1 . . . . A 18 SER HA . 34874 1 185 . 1 . 1 18 18 SER HB2 H 1 3.958 0.02 . 2 . . . . A 18 SER HB2 . 34874 1 186 . 1 . 1 18 18 SER HB3 H 1 3.848 0.02 . 2 . . . . A 18 SER HB3 . 34874 1 187 . 1 . 1 18 18 SER CA C 13 60.949 0.10 . 1 . . . . A 18 SER CA . 34874 1 188 . 1 . 1 18 18 SER CB C 13 63.917 0.10 . 1 . . . . A 18 SER CB . 34874 1 189 . 1 . 1 18 18 SER N N 15 117.262 0.10 . 1 . . . . A 18 SER N . 34874 1 190 . 1 . 1 19 19 ALA H H 1 7.335 0.02 . 1 . . . . A 19 ALA H . 34874 1 191 . 1 . 1 19 19 ALA HA H 1 4.186 0.02 . 1 . . . . A 19 ALA HA . 34874 1 192 . 1 . 1 19 19 ALA HB1 H 1 0.313 0.02 . 1 . . . . A 19 ALA HB1 . 34874 1 193 . 1 . 1 19 19 ALA HB2 H 1 0.313 0.02 . 1 . . . . A 19 ALA HB2 . 34874 1 194 . 1 . 1 19 19 ALA HB3 H 1 0.313 0.02 . 1 . . . . A 19 ALA HB3 . 34874 1 195 . 1 . 1 19 19 ALA CA C 13 52.847 0.10 . 1 . . . . A 19 ALA CA . 34874 1 196 . 1 . 1 19 19 ALA CB C 13 19.931 0.10 . 1 . . . . A 19 ALA CB . 34874 1 197 . 1 . 1 19 19 ALA N N 15 124.843 0.10 . 1 . . . . A 19 ALA N . 34874 1 198 . 1 . 1 20 20 ARG H H 1 7.813 0.02 . 1 . . . . A 20 ARG H . 34874 1 199 . 1 . 1 20 20 ARG HA H 1 3.351 0.02 . 1 . . . . A 20 ARG HA . 34874 1 200 . 1 . 1 20 20 ARG HB2 H 1 1.881 0.02 . 2 . . . . A 20 ARG HB2 . 34874 1 201 . 1 . 1 20 20 ARG HB3 H 1 1.552 0.02 . 2 . . . . A 20 ARG HB3 . 34874 1 202 . 1 . 1 20 20 ARG CA C 13 61.548 0.10 . 1 . . . . A 20 ARG CA . 34874 1 203 . 1 . 1 20 20 ARG CB C 13 30.741 0.10 . 1 . . . . A 20 ARG CB . 34874 1 204 . 1 . 1 20 20 ARG N N 15 120.427 0.10 . 1 . . . . A 20 ARG N . 34874 1 205 . 1 . 1 21 21 GLU H H 1 8.525 0.02 . 1 . . . . A 21 GLU H . 34874 1 206 . 1 . 1 21 21 GLU HA H 1 3.911 0.02 . 1 . . . . A 21 GLU HA . 34874 1 207 . 1 . 1 21 21 GLU HB2 H 1 1.974 0.02 . 2 . . . . A 21 GLU HB2 . 34874 1 208 . 1 . 1 21 21 GLU HB3 H 1 1.974 0.02 . 2 . . . . A 21 GLU HB3 . 34874 1 209 . 1 . 1 21 21 GLU HG2 H 1 2.195 0.02 . 2 . . . . A 21 GLU HG2 . 34874 1 210 . 1 . 1 21 21 GLU HG3 H 1 2.288 0.02 . 2 . . . . A 21 GLU HG3 . 34874 1 211 . 1 . 1 21 21 GLU CA C 13 60.081 0.10 . 1 . . . . A 21 GLU CA . 34874 1 212 . 1 . 1 21 21 GLU CB C 13 29.008 0.10 . 1 . . . . A 21 GLU CB . 34874 1 213 . 1 . 1 21 21 GLU CG C 13 36.418 0.10 . 1 . . . . A 21 GLU CG . 34874 1 214 . 1 . 1 21 21 GLU N N 15 116.909 0.10 . 1 . . . . A 21 GLU N . 34874 1 215 . 1 . 1 22 22 SER H H 1 8.071 0.02 . 1 . . . . A 22 SER H . 34874 1 216 . 1 . 1 22 22 SER HA H 1 4.119 0.02 . 1 . . . . A 22 SER HA . 34874 1 217 . 1 . 1 22 22 SER HB2 H 1 3.948 0.02 . 2 . . . . A 22 SER HB2 . 34874 1 218 . 1 . 1 22 22 SER HB3 H 1 3.948 0.02 . 2 . . . . A 22 SER HB3 . 34874 1 219 . 1 . 1 22 22 SER CA C 13 62.128 0.10 . 1 . . . . A 22 SER CA . 34874 1 220 . 1 . 1 22 22 SER CB C 13 63.014 0.10 . 1 . . . . A 22 SER CB . 34874 1 221 . 1 . 1 22 22 SER N N 15 116.490 0.10 . 1 . . . . A 22 SER N . 34874 1 222 . 1 . 1 23 23 ILE H H 1 7.954 0.02 . 1 . . . . A 23 ILE H . 34874 1 223 . 1 . 1 23 23 ILE HA H 1 3.611 0.02 . 1 . . . . A 23 ILE HA . 34874 1 224 . 1 . 1 23 23 ILE HB H 1 1.710 0.02 . 1 . . . . A 23 ILE HB . 34874 1 225 . 1 . 1 23 23 ILE HG12 H 1 0.772 0.02 . 2 . . . . A 23 ILE HG12 . 34874 1 226 . 1 . 1 23 23 ILE HG13 H 1 1.658 0.02 . 2 . . . . A 23 ILE HG13 . 34874 1 227 . 1 . 1 23 23 ILE HG21 H 1 0.886 0.02 . 1 . . . . A 23 ILE HG21 . 34874 1 228 . 1 . 1 23 23 ILE HG22 H 1 0.886 0.02 . 1 . . . . A 23 ILE HG22 . 34874 1 229 . 1 . 1 23 23 ILE HG23 H 1 0.886 0.02 . 1 . . . . A 23 ILE HG23 . 34874 1 230 . 1 . 1 23 23 ILE HD11 H 1 0.537 0.02 . 1 . . . . A 23 ILE HD11 . 34874 1 231 . 1 . 1 23 23 ILE HD12 H 1 0.537 0.02 . 1 . . . . A 23 ILE HD12 . 34874 1 232 . 1 . 1 23 23 ILE HD13 H 1 0.537 0.02 . 1 . . . . A 23 ILE HD13 . 34874 1 233 . 1 . 1 23 23 ILE CA C 13 66.100 0.10 . 1 . . . . A 23 ILE CA . 34874 1 234 . 1 . 1 23 23 ILE CB C 13 38.491 0.10 . 1 . . . . A 23 ILE CB . 34874 1 235 . 1 . 1 23 23 ILE CG1 C 13 24.559 0.10 . 1 . . . . A 23 ILE CG1 . 34874 1 236 . 1 . 1 23 23 ILE CG2 C 13 18.519 0.10 . 1 . . . . A 23 ILE CG2 . 34874 1 237 . 1 . 1 23 23 ILE CD1 C 13 14.006 0.10 . 1 . . . . A 23 ILE CD1 . 34874 1 238 . 1 . 1 23 23 ILE N N 15 123.132 0.10 . 1 . . . . A 23 ILE N . 34874 1 239 . 1 . 1 24 24 LYS H H 1 8.227 0.02 . 1 . . . . A 24 LYS H . 34874 1 240 . 1 . 1 24 24 LYS HA H 1 3.866 0.02 . 1 . . . . A 24 LYS HA . 34874 1 241 . 1 . 1 24 24 LYS HB2 H 1 1.843 0.02 . 2 . . . . A 24 LYS HB2 . 34874 1 242 . 1 . 1 24 24 LYS HB3 H 1 1.716 0.02 . 2 . . . . A 24 LYS HB3 . 34874 1 243 . 1 . 1 24 24 LYS CA C 13 60.188 0.10 . 1 . . . . A 24 LYS CA . 34874 1 244 . 1 . 1 24 24 LYS CB C 13 32.755 0.10 . 1 . . . . A 24 LYS CB . 34874 1 245 . 1 . 1 24 24 LYS N N 15 118.800 0.10 . 1 . . . . A 24 LYS N . 34874 1 246 . 1 . 1 25 25 ARG H H 1 8.028 0.02 . 1 . . . . A 25 ARG H . 34874 1 247 . 1 . 1 25 25 ARG HA H 1 3.958 0.02 . 1 . . . . A 25 ARG HA . 34874 1 248 . 1 . 1 25 25 ARG HB2 H 1 1.873 0.02 . 2 . . . . A 25 ARG HB2 . 34874 1 249 . 1 . 1 25 25 ARG HB3 H 1 1.905 0.02 . 2 . . . . A 25 ARG HB3 . 34874 1 250 . 1 . 1 25 25 ARG HG2 H 1 1.746 0.02 . 2 . . . . A 25 ARG HG2 . 34874 1 251 . 1 . 1 25 25 ARG HG3 H 1 1.607 0.02 . 2 . . . . A 25 ARG HG3 . 34874 1 252 . 1 . 1 25 25 ARG HD2 H 1 3.222 0.02 . 2 . . . . A 25 ARG HD2 . 34874 1 253 . 1 . 1 25 25 ARG HD3 H 1 3.222 0.02 . 2 . . . . A 25 ARG HD3 . 34874 1 254 . 1 . 1 25 25 ARG CA C 13 59.310 0.10 . 1 . . . . A 25 ARG CA . 34874 1 255 . 1 . 1 25 25 ARG CB C 13 30.846 0.10 . 1 . . . . A 25 ARG CB . 34874 1 256 . 1 . 1 25 25 ARG CG C 13 28.037 0.10 . 1 . . . . A 25 ARG CG . 34874 1 257 . 1 . 1 25 25 ARG CD C 13 43.733 0.10 . 1 . . . . A 25 ARG CD . 34874 1 258 . 1 . 1 25 25 ARG N N 15 118.630 0.10 . 1 . . . . A 25 ARG N . 34874 1 259 . 1 . 1 26 26 GLU H H 1 7.658 0.02 . 1 . . . . A 26 GLU H . 34874 1 260 . 1 . 1 26 26 GLU HA H 1 4.128 0.02 . 1 . . . . A 26 GLU HA . 34874 1 261 . 1 . 1 26 26 GLU HB2 H 1 1.948 0.02 . 2 . . . . A 26 GLU HB2 . 34874 1 262 . 1 . 1 26 26 GLU HB3 H 1 2.136 0.02 . 2 . . . . A 26 GLU HB3 . 34874 1 263 . 1 . 1 26 26 GLU HG2 H 1 2.300 0.02 . 2 . . . . A 26 GLU HG2 . 34874 1 264 . 1 . 1 26 26 GLU HG3 H 1 2.467 0.02 . 2 . . . . A 26 GLU HG3 . 34874 1 265 . 1 . 1 26 26 GLU CA C 13 57.546 0.10 . 1 . . . . A 26 GLU CA . 34874 1 266 . 1 . 1 26 26 GLU CB C 13 30.778 0.10 . 1 . . . . A 26 GLU CB . 34874 1 267 . 1 . 1 26 26 GLU CG C 13 37.088 0.10 . 1 . . . . A 26 GLU CG . 34874 1 268 . 1 . 1 26 26 GLU N N 15 115.058 0.10 . 1 . . . . A 26 GLU N . 34874 1 269 . 1 . 1 27 27 ASN H H 1 7.242 0.02 . 1 . . . . A 27 ASN H . 34874 1 270 . 1 . 1 27 27 ASN HA H 1 5.082 0.02 . 1 . . . . A 27 ASN HA . 34874 1 271 . 1 . 1 27 27 ASN HB2 H 1 2.706 0.02 . 2 . . . . A 27 ASN HB2 . 34874 1 272 . 1 . 1 27 27 ASN HB3 H 1 2.471 0.02 . 2 . . . . A 27 ASN HB3 . 34874 1 273 . 1 . 1 27 27 ASN HD21 H 1 8.157 0.02 . 2 . . . . A 27 ASN HD21 . 34874 1 274 . 1 . 1 27 27 ASN HD22 H 1 7.371 0.02 . 2 . . . . A 27 ASN HD22 . 34874 1 275 . 1 . 1 27 27 ASN CA C 13 51.167 0.10 . 1 . . . . A 27 ASN CA . 34874 1 276 . 1 . 1 27 27 ASN CB C 13 41.096 0.10 . 1 . . . . A 27 ASN CB . 34874 1 277 . 1 . 1 27 27 ASN N N 15 116.247 0.10 . 1 . . . . A 27 ASN N . 34874 1 278 . 1 . 1 27 27 ASN ND2 N 15 116.663 0.10 . 1 . . . . A 27 ASN ND2 . 34874 1 279 . 1 . 1 28 28 PRO HA H 1 4.384 0.02 . 1 . . . . A 28 PRO HA . 34874 1 280 . 1 . 1 28 28 PRO HB2 H 1 2.267 0.02 . 2 . . . . A 28 PRO HB2 . 34874 1 281 . 1 . 1 28 28 PRO HB3 H 1 1.889 0.02 . 2 . . . . A 28 PRO HB3 . 34874 1 282 . 1 . 1 28 28 PRO HG2 H 1 2.074 0.02 . 2 . . . . A 28 PRO HG2 . 34874 1 283 . 1 . 1 28 28 PRO HG3 H 1 1.967 0.02 . 2 . . . . A 28 PRO HG3 . 34874 1 284 . 1 . 1 28 28 PRO HD2 H 1 3.558 0.02 . 2 . . . . A 28 PRO HD2 . 34874 1 285 . 1 . 1 28 28 PRO HD3 H 1 3.415 0.02 . 2 . . . . A 28 PRO HD3 . 34874 1 286 . 1 . 1 28 28 PRO CA C 13 64.584 0.10 . 1 . . . . A 28 PRO CA . 34874 1 287 . 1 . 1 28 28 PRO CB C 13 31.726 0.10 . 1 . . . . A 28 PRO CB . 34874 1 288 . 1 . 1 28 28 PRO CG C 13 28.179 0.10 . 1 . . . . A 28 PRO CG . 34874 1 289 . 1 . 1 28 28 PRO CD C 13 50.115 0.10 . 1 . . . . A 28 PRO CD . 34874 1 290 . 1 . 1 29 29 GLY H H 1 8.793 0.02 . 1 . . . . A 29 GLY H . 34874 1 291 . 1 . 1 29 29 GLY HA2 H 1 4.104 0.02 . 2 . . . . A 29 GLY HA2 . 34874 1 292 . 1 . 1 29 29 GLY HA3 H 1 3.737 0.02 . 2 . . . . A 29 GLY HA3 . 34874 1 293 . 1 . 1 29 29 GLY CA C 13 45.569 0.10 . 1 . . . . A 29 GLY CA . 34874 1 294 . 1 . 1 29 29 GLY N N 15 112.040 0.10 . 1 . . . . A 29 GLY N . 34874 1 295 . 1 . 1 30 30 ILE H H 1 7.766 0.02 . 1 . . . . A 30 ILE H . 34874 1 296 . 1 . 1 30 30 ILE HA H 1 4.086 0.02 . 1 . . . . A 30 ILE HA . 34874 1 297 . 1 . 1 30 30 ILE HB H 1 2.120 0.02 . 1 . . . . A 30 ILE HB . 34874 1 298 . 1 . 1 30 30 ILE HG12 H 1 1.559 0.02 . 2 . . . . A 30 ILE HG12 . 34874 1 299 . 1 . 1 30 30 ILE HG13 H 1 1.559 0.02 . 2 . . . . A 30 ILE HG13 . 34874 1 300 . 1 . 1 30 30 ILE HG21 H 1 0.869 0.02 . 1 . . . . A 30 ILE HG21 . 34874 1 301 . 1 . 1 30 30 ILE HG22 H 1 0.869 0.02 . 1 . . . . A 30 ILE HG22 . 34874 1 302 . 1 . 1 30 30 ILE HG23 H 1 0.869 0.02 . 1 . . . . A 30 ILE HG23 . 34874 1 303 . 1 . 1 30 30 ILE HD11 H 1 0.646 0.02 . 1 . . . . A 30 ILE HD11 . 34874 1 304 . 1 . 1 30 30 ILE HD12 H 1 0.646 0.02 . 1 . . . . A 30 ILE HD12 . 34874 1 305 . 1 . 1 30 30 ILE HD13 H 1 0.646 0.02 . 1 . . . . A 30 ILE HD13 . 34874 1 306 . 1 . 1 30 30 ILE CA C 13 62.687 0.10 . 1 . . . . A 30 ILE CA . 34874 1 307 . 1 . 1 30 30 ILE CB C 13 38.627 0.10 . 1 . . . . A 30 ILE CB . 34874 1 308 . 1 . 1 30 30 ILE CG1 C 13 28.430 0.10 . 1 . . . . A 30 ILE CG1 . 34874 1 309 . 1 . 1 30 30 ILE CG2 C 13 17.271 0.10 . 1 . . . . A 30 ILE CG2 . 34874 1 310 . 1 . 1 30 30 ILE CD1 C 13 14.282 0.10 . 1 . . . . A 30 ILE CD1 . 34874 1 311 . 1 . 1 30 30 ILE N N 15 120.753 0.10 . 1 . . . . A 30 ILE N . 34874 1 312 . 1 . 1 31 31 LYS H H 1 8.577 0.02 . 1 . . . . A 31 LYS H . 34874 1 313 . 1 . 1 31 31 LYS HA H 1 4.498 0.02 . 1 . . . . A 31 LYS HA . 34874 1 314 . 1 . 1 31 31 LYS HB2 H 1 2.106 0.02 . 2 . . . . A 31 LYS HB2 . 34874 1 315 . 1 . 1 31 31 LYS HB3 H 1 1.683 0.02 . 2 . . . . A 31 LYS HB3 . 34874 1 316 . 1 . 1 31 31 LYS CA C 13 56.279 0.10 . 1 . . . . A 31 LYS CA . 34874 1 317 . 1 . 1 31 31 LYS CB C 13 34.719 0.10 . 1 . . . . A 31 LYS CB . 34874 1 318 . 1 . 1 31 31 LYS N N 15 125.859 0.10 . 1 . . . . A 31 LYS N . 34874 1 319 . 1 . 1 32 32 VAL H H 1 9.032 0.02 . 1 . . . . A 32 VAL H . 34874 1 320 . 1 . 1 32 32 VAL HA H 1 3.776 0.02 . 1 . . . . A 32 VAL HA . 34874 1 321 . 1 . 1 32 32 VAL HB H 1 2.105 0.02 . 1 . . . . A 32 VAL HB . 34874 1 322 . 1 . 1 32 32 VAL HG11 H 1 0.910 0.02 . 2 . . . . A 32 VAL HG11 . 34874 1 323 . 1 . 1 32 32 VAL HG12 H 1 0.910 0.02 . 2 . . . . A 32 VAL HG12 . 34874 1 324 . 1 . 1 32 32 VAL HG13 H 1 0.910 0.02 . 2 . . . . A 32 VAL HG13 . 34874 1 325 . 1 . 1 32 32 VAL HG21 H 1 0.996 0.02 . 2 . . . . A 32 VAL HG21 . 34874 1 326 . 1 . 1 32 32 VAL HG22 H 1 0.996 0.02 . 2 . . . . A 32 VAL HG22 . 34874 1 327 . 1 . 1 32 32 VAL HG23 H 1 0.996 0.02 . 2 . . . . A 32 VAL HG23 . 34874 1 328 . 1 . 1 32 32 VAL CA C 13 66.700 0.10 . 1 . . . . A 32 VAL CA . 34874 1 329 . 1 . 1 32 32 VAL CB C 13 32.072 0.10 . 1 . . . . A 32 VAL CB . 34874 1 330 . 1 . 1 32 32 VAL CG1 C 13 21.149 0.10 . 2 . . . . A 32 VAL CG1 . 34874 1 331 . 1 . 1 32 32 VAL CG2 C 13 22.191 0.10 . 2 . . . . A 32 VAL CG2 . 34874 1 332 . 1 . 1 32 32 VAL N N 15 122.246 0.10 . 1 . . . . A 32 VAL N . 34874 1 333 . 1 . 1 33 33 THR H H 1 7.338 0.02 . 1 . . . . A 33 THR H . 34874 1 334 . 1 . 1 33 33 THR HA H 1 4.008 0.02 . 1 . . . . A 33 THR HA . 34874 1 335 . 1 . 1 33 33 THR HB H 1 4.300 0.02 . 1 . . . . A 33 THR HB . 34874 1 336 . 1 . 1 33 33 THR HG21 H 1 1.269 0.02 . 1 . . . . A 33 THR HG21 . 34874 1 337 . 1 . 1 33 33 THR HG22 H 1 1.269 0.02 . 1 . . . . A 33 THR HG22 . 34874 1 338 . 1 . 1 33 33 THR HG23 H 1 1.269 0.02 . 1 . . . . A 33 THR HG23 . 34874 1 339 . 1 . 1 33 33 THR CA C 13 64.442 0.10 . 1 . . . . A 33 THR CA . 34874 1 340 . 1 . 1 33 33 THR CB C 13 68.157 0.10 . 1 . . . . A 33 THR CB . 34874 1 341 . 1 . 1 33 33 THR CG2 C 13 24.398 0.10 . 1 . . . . A 33 THR CG2 . 34874 1 342 . 1 . 1 33 33 THR N N 15 110.056 0.10 . 1 . . . . A 33 THR N . 34874 1 343 . 1 . 1 34 34 GLU H H 1 6.971 0.02 . 1 . . . . A 34 GLU H . 34874 1 344 . 1 . 1 34 34 GLU HA H 1 4.165 0.02 . 1 . . . . A 34 GLU HA . 34874 1 345 . 1 . 1 34 34 GLU HB2 H 1 2.314 0.02 . 2 . . . . A 34 GLU HB2 . 34874 1 346 . 1 . 1 34 34 GLU HB3 H 1 2.118 0.02 . 2 . . . . A 34 GLU HB3 . 34874 1 347 . 1 . 1 34 34 GLU HG2 H 1 1.691 0.02 . 2 . . . . A 34 GLU HG2 . 34874 1 348 . 1 . 1 34 34 GLU HG3 H 1 2.275 0.02 . 2 . . . . A 34 GLU HG3 . 34874 1 349 . 1 . 1 34 34 GLU CA C 13 58.117 0.10 . 1 . . . . A 34 GLU CA . 34874 1 350 . 1 . 1 34 34 GLU CB C 13 30.241 0.10 . 1 . . . . A 34 GLU CB . 34874 1 351 . 1 . 1 34 34 GLU N N 15 120.914 0.10 . 1 . . . . A 34 GLU N . 34874 1 352 . 1 . 1 35 35 VAL H H 1 8.087 0.02 . 1 . . . . A 35 VAL H . 34874 1 353 . 1 . 1 35 35 VAL HA H 1 3.411 0.02 . 1 . . . . A 35 VAL HA . 34874 1 354 . 1 . 1 35 35 VAL HB H 1 2.261 0.02 . 1 . . . . A 35 VAL HB . 34874 1 355 . 1 . 1 35 35 VAL HG11 H 1 0.798 0.02 . 2 . . . . A 35 VAL HG11 . 34874 1 356 . 1 . 1 35 35 VAL HG12 H 1 0.798 0.02 . 2 . . . . A 35 VAL HG12 . 34874 1 357 . 1 . 1 35 35 VAL HG13 H 1 0.798 0.02 . 2 . . . . A 35 VAL HG13 . 34874 1 358 . 1 . 1 35 35 VAL HG21 H 1 0.910 0.02 . 2 . . . . A 35 VAL HG21 . 34874 1 359 . 1 . 1 35 35 VAL HG22 H 1 0.910 0.02 . 2 . . . . A 35 VAL HG22 . 34874 1 360 . 1 . 1 35 35 VAL HG23 H 1 0.910 0.02 . 2 . . . . A 35 VAL HG23 . 34874 1 361 . 1 . 1 35 35 VAL CA C 13 67.672 0.10 . 1 . . . . A 35 VAL CA . 34874 1 362 . 1 . 1 35 35 VAL CB C 13 31.476 0.10 . 1 . . . . A 35 VAL CB . 34874 1 363 . 1 . 1 35 35 VAL CG1 C 13 21.693 0.10 . 2 . . . . A 35 VAL CG1 . 34874 1 364 . 1 . 1 35 35 VAL CG2 C 13 24.413 0.10 . 2 . . . . A 35 VAL CG2 . 34874 1 365 . 1 . 1 35 35 VAL N N 15 123.073 0.10 . 1 . . . . A 35 VAL N . 34874 1 366 . 1 . 1 36 36 ALA H H 1 7.634 0.02 . 1 . . . . A 36 ALA H . 34874 1 367 . 1 . 1 36 36 ALA HA H 1 4.031 0.02 . 1 . . . . A 36 ALA HA . 34874 1 368 . 1 . 1 36 36 ALA HB1 H 1 1.498 0.02 . 1 . . . . A 36 ALA HB1 . 34874 1 369 . 1 . 1 36 36 ALA HB2 H 1 1.498 0.02 . 1 . . . . A 36 ALA HB2 . 34874 1 370 . 1 . 1 36 36 ALA HB3 H 1 1.498 0.02 . 1 . . . . A 36 ALA HB3 . 34874 1 371 . 1 . 1 36 36 ALA CA C 13 56.328 0.10 . 1 . . . . A 36 ALA CA . 34874 1 372 . 1 . 1 36 36 ALA CB C 13 18.429 0.10 . 1 . . . . A 36 ALA CB . 34874 1 373 . 1 . 1 36 36 ALA N N 15 120.632 0.10 . 1 . . . . A 36 ALA N . 34874 1 374 . 1 . 1 37 37 LYS H H 1 7.661 0.02 . 1 . . . . A 37 LYS H . 34874 1 375 . 1 . 1 37 37 LYS HA H 1 4.027 0.02 . 1 . . . . A 37 LYS HA . 34874 1 376 . 1 . 1 37 37 LYS HB2 H 1 1.943 0.02 . 2 . . . . A 37 LYS HB2 . 34874 1 377 . 1 . 1 37 37 LYS HB3 H 1 1.919 0.02 . 2 . . . . A 37 LYS HB3 . 34874 1 378 . 1 . 1 37 37 LYS HG2 H 1 1.700 0.02 . 2 . . . . A 37 LYS HG2 . 34874 1 379 . 1 . 1 37 37 LYS HG3 H 1 1.700 0.02 . 2 . . . . A 37 LYS HG3 . 34874 1 380 . 1 . 1 37 37 LYS HE2 H 1 2.950 0.02 . 2 . . . . A 37 LYS HE2 . 34874 1 381 . 1 . 1 37 37 LYS HE3 H 1 2.950 0.02 . 2 . . . . A 37 LYS HE3 . 34874 1 382 . 1 . 1 37 37 LYS CA C 13 60.459 0.10 . 1 . . . . A 37 LYS CA . 34874 1 383 . 1 . 1 37 37 LYS CB C 13 33.384 0.10 . 1 . . . . A 37 LYS CB . 34874 1 384 . 1 . 1 37 37 LYS N N 15 117.393 0.10 . 1 . . . . A 37 LYS N . 34874 1 385 . 1 . 1 38 38 ARG H H 1 8.561 0.02 . 1 . . . . A 38 ARG H . 34874 1 386 . 1 . 1 38 38 ARG HA H 1 4.217 0.02 . 1 . . . . A 38 ARG HA . 34874 1 387 . 1 . 1 38 38 ARG HB2 H 1 1.942 0.02 . 2 . . . . A 38 ARG HB2 . 34874 1 388 . 1 . 1 38 38 ARG HB3 H 1 1.942 0.02 . 2 . . . . A 38 ARG HB3 . 34874 1 389 . 1 . 1 38 38 ARG HG2 H 1 1.795 0.02 . 2 . . . . A 38 ARG HG2 . 34874 1 390 . 1 . 1 38 38 ARG HG3 H 1 1.582 0.02 . 2 . . . . A 38 ARG HG3 . 34874 1 391 . 1 . 1 38 38 ARG HD2 H 1 3.170 0.02 . 2 . . . . A 38 ARG HD2 . 34874 1 392 . 1 . 1 38 38 ARG HD3 H 1 3.344 0.02 . 2 . . . . A 38 ARG HD3 . 34874 1 393 . 1 . 1 38 38 ARG CA C 13 58.271 0.10 . 1 . . . . A 38 ARG CA . 34874 1 394 . 1 . 1 38 38 ARG CB C 13 29.681 0.10 . 1 . . . . A 38 ARG CB . 34874 1 395 . 1 . 1 38 38 ARG CG C 13 27.453 0.10 . 1 . . . . A 38 ARG CG . 34874 1 396 . 1 . 1 38 38 ARG CD C 13 42.819 0.10 . 1 . . . . A 38 ARG CD . 34874 1 397 . 1 . 1 38 38 ARG N N 15 120.704 0.10 . 1 . . . . A 38 ARG N . 34874 1 398 . 1 . 1 39 39 GLY H H 1 9.332 0.02 . 1 . . . . A 39 GLY H . 34874 1 399 . 1 . 1 39 39 GLY HA2 H 1 4.142 0.02 . 2 . . . . A 39 GLY HA2 . 34874 1 400 . 1 . 1 39 39 GLY HA3 H 1 3.904 0.02 . 2 . . . . A 39 GLY HA3 . 34874 1 401 . 1 . 1 39 39 GLY CA C 13 47.568 0.10 . 1 . . . . A 39 GLY CA . 34874 1 402 . 1 . 1 39 39 GLY N N 15 107.235 0.10 . 1 . . . . A 39 GLY N . 34874 1 403 . 1 . 1 40 40 GLY H H 1 8.952 0.02 . 1 . . . . A 40 GLY H . 34874 1 404 . 1 . 1 40 40 GLY HA2 H 1 3.849 0.02 . 2 . . . . A 40 GLY HA2 . 34874 1 405 . 1 . 1 40 40 GLY HA3 H 1 3.849 0.02 . 2 . . . . A 40 GLY HA3 . 34874 1 406 . 1 . 1 40 40 GLY CA C 13 48.595 0.10 . 1 . . . . A 40 GLY CA . 34874 1 407 . 1 . 1 40 40 GLY N N 15 109.612 0.10 . 1 . . . . A 40 GLY N . 34874 1 408 . 1 . 1 41 41 GLU H H 1 7.535 0.02 . 1 . . . . A 41 GLU H . 34874 1 409 . 1 . 1 41 41 GLU HA H 1 3.920 0.02 . 1 . . . . A 41 GLU HA . 34874 1 410 . 1 . 1 41 41 GLU HB2 H 1 2.361 0.02 . 2 . . . . A 41 GLU HB2 . 34874 1 411 . 1 . 1 41 41 GLU HB3 H 1 2.086 0.02 . 2 . . . . A 41 GLU HB3 . 34874 1 412 . 1 . 1 41 41 GLU HG2 H 1 2.476 0.02 . 2 . . . . A 41 GLU HG2 . 34874 1 413 . 1 . 1 41 41 GLU HG3 H 1 2.209 0.02 . 2 . . . . A 41 GLU HG3 . 34874 1 414 . 1 . 1 41 41 GLU CA C 13 59.814 0.10 . 1 . . . . A 41 GLU CA . 34874 1 415 . 1 . 1 41 41 GLU CB C 13 30.118 0.10 . 1 . . . . A 41 GLU CB . 34874 1 416 . 1 . 1 41 41 GLU CG C 13 36.593 0.10 . 1 . . . . A 41 GLU CG . 34874 1 417 . 1 . 1 41 41 GLU N N 15 120.442 0.10 . 1 . . . . A 41 GLU N . 34874 1 418 . 1 . 1 42 42 LEU H H 1 8.202 0.02 . 1 . . . . A 42 LEU H . 34874 1 419 . 1 . 1 42 42 LEU HA H 1 4.015 0.02 . 1 . . . . A 42 LEU HA . 34874 1 420 . 1 . 1 42 42 LEU HB2 H 1 2.361 0.02 . 2 . . . . A 42 LEU HB2 . 34874 1 421 . 1 . 1 42 42 LEU HB3 H 1 1.529 0.02 . 2 . . . . A 42 LEU HB3 . 34874 1 422 . 1 . 1 42 42 LEU HG H 1 1.888 0.02 . 1 . . . . A 42 LEU HG . 34874 1 423 . 1 . 1 42 42 LEU HD11 H 1 0.956 0.02 . 2 . . . . A 42 LEU HD11 . 34874 1 424 . 1 . 1 42 42 LEU HD12 H 1 0.956 0.02 . 2 . . . . A 42 LEU HD12 . 34874 1 425 . 1 . 1 42 42 LEU HD13 H 1 0.956 0.02 . 2 . . . . A 42 LEU HD13 . 34874 1 426 . 1 . 1 42 42 LEU HD21 H 1 1.062 0.02 . 2 . . . . A 42 LEU HD21 . 34874 1 427 . 1 . 1 42 42 LEU HD22 H 1 1.062 0.02 . 2 . . . . A 42 LEU HD22 . 34874 1 428 . 1 . 1 42 42 LEU HD23 H 1 1.062 0.02 . 2 . . . . A 42 LEU HD23 . 34874 1 429 . 1 . 1 42 42 LEU CA C 13 58.210 0.10 . 1 . . . . A 42 LEU CA . 34874 1 430 . 1 . 1 42 42 LEU CB C 13 43.016 0.10 . 1 . . . . A 42 LEU CB . 34874 1 431 . 1 . 1 42 42 LEU CG C 13 27.711 0.10 . 1 . . . . A 42 LEU CG . 34874 1 432 . 1 . 1 42 42 LEU CD1 C 13 22.847 0.10 . 2 . . . . A 42 LEU CD1 . 34874 1 433 . 1 . 1 42 42 LEU CD2 C 13 25.754 0.10 . 2 . . . . A 42 LEU CD2 . 34874 1 434 . 1 . 1 42 42 LEU N N 15 120.393 0.10 . 1 . . . . A 42 LEU N . 34874 1 435 . 1 . 1 43 43 TRP H H 1 9.006 0.02 . 1 . . . . A 43 TRP H . 34874 1 436 . 1 . 1 43 43 TRP HA H 1 3.735 0.02 . 1 . . . . A 43 TRP HA . 34874 1 437 . 1 . 1 43 43 TRP HB2 H 1 3.206 0.02 . 2 . . . . A 43 TRP HB2 . 34874 1 438 . 1 . 1 43 43 TRP HB3 H 1 3.321 0.02 . 2 . . . . A 43 TRP HB3 . 34874 1 439 . 1 . 1 43 43 TRP HD1 H 1 6.874 0.02 . 1 . . . . A 43 TRP HD1 . 34874 1 440 . 1 . 1 43 43 TRP HE1 H 1 10.231 0.02 . 1 . . . . A 43 TRP HE1 . 34874 1 441 . 1 . 1 43 43 TRP HE3 H 1 6.325 0.02 . 1 . . . . A 43 TRP HE3 . 34874 1 442 . 1 . 1 43 43 TRP HZ2 H 1 7.543 0.02 . 1 . . . . A 43 TRP HZ2 . 34874 1 443 . 1 . 1 43 43 TRP HZ3 H 1 6.480 0.02 . 1 . . . . A 43 TRP HZ3 . 34874 1 444 . 1 . 1 43 43 TRP HH2 H 1 6.980 0.02 . 1 . . . . A 43 TRP HH2 . 34874 1 445 . 1 . 1 43 43 TRP CA C 13 60.115 0.10 . 1 . . . . A 43 TRP CA . 34874 1 446 . 1 . 1 43 43 TRP CD1 C 13 126.797 0.10 . 1 . . . . A 43 TRP CD1 . 34874 1 447 . 1 . 1 43 43 TRP CE3 C 13 121.832 0.10 . 1 . . . . A 43 TRP CE3 . 34874 1 448 . 1 . 1 43 43 TRP CZ2 C 13 114.132 0.10 . 1 . . . . A 43 TRP CZ2 . 34874 1 449 . 1 . 1 43 43 TRP CZ3 C 13 122.598 0.10 . 1 . . . . A 43 TRP CZ3 . 34874 1 450 . 1 . 1 43 43 TRP CH2 C 13 124.405 0.10 . 1 . . . . A 43 TRP CH2 . 34874 1 451 . 1 . 1 43 43 TRP NE1 N 15 128.690 0.10 . 1 . . . . A 43 TRP NE1 . 34874 1 452 . 1 . 1 44 44 ARG H H 1 8.276 0.02 . 1 . . . . A 44 ARG H . 34874 1 453 . 1 . 1 44 44 ARG HA H 1 3.864 0.02 . 1 . . . . A 44 ARG HA . 34874 1 454 . 1 . 1 44 44 ARG HB2 H 1 1.890 0.02 . 2 . . . . A 44 ARG HB2 . 34874 1 455 . 1 . 1 44 44 ARG HB3 H 1 1.747 0.02 . 2 . . . . A 44 ARG HB3 . 34874 1 456 . 1 . 1 44 44 ARG HG2 H 1 2.108 0.02 . 2 . . . . A 44 ARG HG2 . 34874 1 457 . 1 . 1 44 44 ARG HG3 H 1 2.108 0.02 . 2 . . . . A 44 ARG HG3 . 34874 1 458 . 1 . 1 44 44 ARG HD2 H 1 3.090 0.02 . 2 . . . . A 44 ARG HD2 . 34874 1 459 . 1 . 1 44 44 ARG HD3 H 1 3.355 0.02 . 2 . . . . A 44 ARG HD3 . 34874 1 460 . 1 . 1 44 44 ARG CA C 13 59.693 0.10 . 1 . . . . A 44 ARG CA . 34874 1 461 . 1 . 1 44 44 ARG CB C 13 30.625 0.10 . 1 . . . . A 44 ARG CB . 34874 1 462 . 1 . 1 44 44 ARG CD C 13 43.982 0.10 . 1 . . . . A 44 ARG CD . 34874 1 463 . 1 . 1 44 44 ARG N N 15 116.010 0.10 . 1 . . . . A 44 ARG N . 34874 1 464 . 1 . 1 45 45 ALA H H 1 7.058 0.02 . 1 . . . . A 45 ALA H . 34874 1 465 . 1 . 1 45 45 ALA HA H 1 4.217 0.02 . 1 . . . . A 45 ALA HA . 34874 1 466 . 1 . 1 45 45 ALA HB1 H 1 1.401 0.02 . 1 . . . . A 45 ALA HB1 . 34874 1 467 . 1 . 1 45 45 ALA HB2 H 1 1.401 0.02 . 1 . . . . A 45 ALA HB2 . 34874 1 468 . 1 . 1 45 45 ALA HB3 H 1 1.401 0.02 . 1 . . . . A 45 ALA HB3 . 34874 1 469 . 1 . 1 45 45 ALA CA C 13 52.360 0.10 . 1 . . . . A 45 ALA CA . 34874 1 470 . 1 . 1 45 45 ALA CB C 13 19.695 0.10 . 1 . . . . A 45 ALA CB . 34874 1 471 . 1 . 1 45 45 ALA N N 15 117.884 0.10 . 1 . . . . A 45 ALA N . 34874 1 472 . 1 . 1 46 46 MET H H 1 7.099 0.02 . 1 . . . . A 46 MET H . 34874 1 473 . 1 . 1 46 46 MET HA H 1 3.930 0.02 . 1 . . . . A 46 MET HA . 34874 1 474 . 1 . 1 46 46 MET HB2 H 1 1.708 0.02 . 2 . . . . A 46 MET HB2 . 34874 1 475 . 1 . 1 46 46 MET HB3 H 1 1.490 0.02 . 2 . . . . A 46 MET HB3 . 34874 1 476 . 1 . 1 46 46 MET HG2 H 1 2.368 0.02 . 2 . . . . A 46 MET HG2 . 34874 1 477 . 1 . 1 46 46 MET HG3 H 1 1.954 0.02 . 2 . . . . A 46 MET HG3 . 34874 1 478 . 1 . 1 46 46 MET HE1 H 1 1.278 0.02 . 1 . . . . A 46 MET HE1 . 34874 1 479 . 1 . 1 46 46 MET HE2 H 1 1.278 0.02 . 1 . . . . A 46 MET HE2 . 34874 1 480 . 1 . 1 46 46 MET HE3 H 1 1.278 0.02 . 1 . . . . A 46 MET HE3 . 34874 1 481 . 1 . 1 46 46 MET CA C 13 56.880 0.10 . 1 . . . . A 46 MET CA . 34874 1 482 . 1 . 1 46 46 MET CB C 13 33.466 0.10 . 1 . . . . A 46 MET CB . 34874 1 483 . 1 . 1 46 46 MET CG C 13 31.083 0.10 . 1 . . . . A 46 MET CG . 34874 1 484 . 1 . 1 46 46 MET CE C 13 15.418 0.10 . 1 . . . . A 46 MET CE . 34874 1 485 . 1 . 1 46 46 MET N N 15 121.225 0.10 . 1 . . . . A 46 MET N . 34874 1 486 . 1 . 1 47 47 LYS H H 1 8.443 0.02 . 1 . . . . A 47 LYS H . 34874 1 487 . 1 . 1 47 47 LYS HA H 1 3.985 0.02 . 1 . . . . A 47 LYS HA . 34874 1 488 . 1 . 1 47 47 LYS HB2 H 1 1.761 0.02 . 2 . . . . A 47 LYS HB2 . 34874 1 489 . 1 . 1 47 47 LYS HB3 H 1 1.761 0.02 . 2 . . . . A 47 LYS HB3 . 34874 1 490 . 1 . 1 47 47 LYS HG2 H 1 1.497 0.02 . 2 . . . . A 47 LYS HG2 . 34874 1 491 . 1 . 1 47 47 LYS HG3 H 1 1.400 0.02 . 2 . . . . A 47 LYS HG3 . 34874 1 492 . 1 . 1 47 47 LYS HD2 H 1 1.647 0.02 . 2 . . . . A 47 LYS HD2 . 34874 1 493 . 1 . 1 47 47 LYS HD3 H 1 1.647 0.02 . 2 . . . . A 47 LYS HD3 . 34874 1 494 . 1 . 1 47 47 LYS HE2 H 1 2.987 0.02 . 2 . . . . A 47 LYS HE2 . 34874 1 495 . 1 . 1 47 47 LYS HE3 H 1 2.987 0.02 . 2 . . . . A 47 LYS HE3 . 34874 1 496 . 1 . 1 47 47 LYS CA C 13 58.505 0.10 . 1 . . . . A 47 LYS CA . 34874 1 497 . 1 . 1 47 47 LYS CB C 13 32.948 0.10 . 1 . . . . A 47 LYS CB . 34874 1 498 . 1 . 1 47 47 LYS CG C 13 25.245 0.10 . 1 . . . . A 47 LYS CG . 34874 1 499 . 1 . 1 47 47 LYS CD C 13 29.104 0.10 . 1 . . . . A 47 LYS CD . 34874 1 500 . 1 . 1 47 47 LYS CE C 13 42.555 0.10 . 1 . . . . A 47 LYS CE . 34874 1 501 . 1 . 1 47 47 LYS N N 15 126.238 0.10 . 1 . . . . A 47 LYS N . 34874 1 502 . 1 . 1 48 48 ASP H H 1 8.015 0.02 . 1 . . . . A 48 ASP H . 34874 1 503 . 1 . 1 48 48 ASP HA H 1 4.835 0.02 . 1 . . . . A 48 ASP HA . 34874 1 504 . 1 . 1 48 48 ASP HB2 H 1 2.832 0.02 . 2 . . . . A 48 ASP HB2 . 34874 1 505 . 1 . 1 48 48 ASP HB3 H 1 2.497 0.02 . 2 . . . . A 48 ASP HB3 . 34874 1 506 . 1 . 1 48 48 ASP CA C 13 53.097 0.10 . 1 . . . . A 48 ASP CA . 34874 1 507 . 1 . 1 48 48 ASP CB C 13 41.533 0.10 . 1 . . . . A 48 ASP CB . 34874 1 508 . 1 . 1 48 48 ASP N N 15 116.491 0.10 . 1 . . . . A 48 ASP N . 34874 1 509 . 1 . 1 49 49 LYS H H 1 8.828 0.02 . 1 . . . . A 49 LYS H . 34874 1 510 . 1 . 1 49 49 LYS HA H 1 4.399 0.02 . 1 . . . . A 49 LYS HA . 34874 1 511 . 1 . 1 49 49 LYS HB2 H 1 1.953 0.02 . 2 . . . . A 49 LYS HB2 . 34874 1 512 . 1 . 1 49 49 LYS HB3 H 1 1.953 0.02 . 2 . . . . A 49 LYS HB3 . 34874 1 513 . 1 . 1 49 49 LYS HG2 H 1 0.177 0.02 . 2 . . . . A 49 LYS HG2 . 34874 1 514 . 1 . 1 49 49 LYS HG3 H 1 0.741 0.02 . 2 . . . . A 49 LYS HG3 . 34874 1 515 . 1 . 1 49 49 LYS HD2 H 1 0.711 0.02 . 2 . . . . A 49 LYS HD2 . 34874 1 516 . 1 . 1 49 49 LYS HD3 H 1 0.750 0.02 . 2 . . . . A 49 LYS HD3 . 34874 1 517 . 1 . 1 49 49 LYS HE2 H 1 1.539 0.02 . 2 . . . . A 49 LYS HE2 . 34874 1 518 . 1 . 1 49 49 LYS HE3 H 1 1.833 0.02 . 2 . . . . A 49 LYS HE3 . 34874 1 519 . 1 . 1 49 49 LYS CA C 13 56.408 0.10 . 1 . . . . A 49 LYS CA . 34874 1 520 . 1 . 1 49 49 LYS CB C 13 33.235 0.10 . 1 . . . . A 49 LYS CB . 34874 1 521 . 1 . 1 49 49 LYS CG C 13 25.651 0.10 . 1 . . . . A 49 LYS CG . 34874 1 522 . 1 . 1 49 49 LYS CD C 13 29.190 0.10 . 1 . . . . A 49 LYS CD . 34874 1 523 . 1 . 1 49 49 LYS CE C 13 42.624 0.10 . 1 . . . . A 49 LYS CE . 34874 1 524 . 1 . 1 49 49 LYS N N 15 125.838 0.10 . 1 . . . . A 49 LYS N . 34874 1 525 . 1 . 1 50 50 SER H H 1 8.450 0.02 . 1 . . . . A 50 SER H . 34874 1 526 . 1 . 1 50 50 SER HA H 1 3.871 0.02 . 1 . . . . A 50 SER HA . 34874 1 527 . 1 . 1 50 50 SER HB2 H 1 4.047 0.02 . 2 . . . . A 50 SER HB2 . 34874 1 528 . 1 . 1 50 50 SER HB3 H 1 4.047 0.02 . 2 . . . . A 50 SER HB3 . 34874 1 529 . 1 . 1 50 50 SER CA C 13 62.768 0.10 . 1 . . . . A 50 SER CA . 34874 1 530 . 1 . 1 50 50 SER CB C 13 62.815 0.10 . 1 . . . . A 50 SER CB . 34874 1 531 . 1 . 1 50 50 SER N N 15 117.493 0.10 . 1 . . . . A 50 SER N . 34874 1 532 . 1 . 1 51 51 GLU H H 1 9.001 0.02 . 1 . . . . A 51 GLU H . 34874 1 533 . 1 . 1 51 51 GLU HA H 1 3.903 0.02 . 1 . . . . A 51 GLU HA . 34874 1 534 . 1 . 1 51 51 GLU HB2 H 1 1.731 0.02 . 2 . . . . A 51 GLU HB2 . 34874 1 535 . 1 . 1 51 51 GLU HB3 H 1 1.731 0.02 . 2 . . . . A 51 GLU HB3 . 34874 1 536 . 1 . 1 51 51 GLU HG2 H 1 1.688 0.02 . 2 . . . . A 51 GLU HG2 . 34874 1 537 . 1 . 1 51 51 GLU HG3 H 1 1.111 0.02 . 2 . . . . A 51 GLU HG3 . 34874 1 538 . 1 . 1 51 51 GLU CA C 13 59.668 0.10 . 1 . . . . A 51 GLU CA . 34874 1 539 . 1 . 1 51 51 GLU CB C 13 29.614 0.10 . 1 . . . . A 51 GLU CB . 34874 1 540 . 1 . 1 51 51 GLU CG C 13 35.675 0.10 . 1 . . . . A 51 GLU CG . 34874 1 541 . 1 . 1 51 51 GLU N N 15 124.391 0.10 . 1 . . . . A 51 GLU N . 34874 1 542 . 1 . 1 52 52 TRP H H 1 6.882 0.02 . 1 . . . . A 52 TRP H . 34874 1 543 . 1 . 1 52 52 TRP HA H 1 4.490 0.02 . 1 . . . . A 52 TRP HA . 34874 1 544 . 1 . 1 52 52 TRP HB2 H 1 3.410 0.02 . 2 . . . . A 52 TRP HB2 . 34874 1 545 . 1 . 1 52 52 TRP HB3 H 1 4.066 0.02 . 2 . . . . A 52 TRP HB3 . 34874 1 546 . 1 . 1 52 52 TRP HD1 H 1 7.240 0.02 . 1 . . . . A 52 TRP HD1 . 34874 1 547 . 1 . 1 52 52 TRP HE1 H 1 10.632 0.02 . 1 . . . . A 52 TRP HE1 . 34874 1 548 . 1 . 1 52 52 TRP HE3 H 1 7.549 0.02 . 1 . . . . A 52 TRP HE3 . 34874 1 549 . 1 . 1 52 52 TRP HZ2 H 1 7.732 0.02 . 1 . . . . A 52 TRP HZ2 . 34874 1 550 . 1 . 1 52 52 TRP HZ3 H 1 7.055 0.02 . 1 . . . . A 52 TRP HZ3 . 34874 1 551 . 1 . 1 52 52 TRP HH2 H 1 7.325 0.02 . 1 . . . . A 52 TRP HH2 . 34874 1 552 . 1 . 1 52 52 TRP CB C 13 30.259 0.10 . 1 . . . . A 52 TRP CB . 34874 1 553 . 1 . 1 52 52 TRP CD1 C 13 127.319 0.10 . 1 . . . . A 52 TRP CD1 . 34874 1 554 . 1 . 1 52 52 TRP CE3 C 13 120.016 0.10 . 1 . . . . A 52 TRP CE3 . 34874 1 555 . 1 . 1 52 52 TRP CZ2 C 13 116.294 0.10 . 1 . . . . A 52 TRP CZ2 . 34874 1 556 . 1 . 1 52 52 TRP CZ3 C 13 122.322 0.10 . 1 . . . . A 52 TRP CZ3 . 34874 1 557 . 1 . 1 52 52 TRP CH2 C 13 126.177 0.10 . 1 . . . . A 52 TRP CH2 . 34874 1 558 . 1 . 1 52 52 TRP N N 15 121.354 0.10 . 1 . . . . A 52 TRP N . 34874 1 559 . 1 . 1 52 52 TRP NE1 N 15 130.201 0.10 . 1 . . . . A 52 TRP NE1 . 34874 1 560 . 1 . 1 53 53 GLU H H 1 8.470 0.02 . 1 . . . . A 53 GLU H . 34874 1 561 . 1 . 1 53 53 GLU HA H 1 4.194 0.02 . 1 . . . . A 53 GLU HA . 34874 1 562 . 1 . 1 53 53 GLU HB2 H 1 2.103 0.02 . 2 . . . . A 53 GLU HB2 . 34874 1 563 . 1 . 1 53 53 GLU HB3 H 1 2.103 0.02 . 2 . . . . A 53 GLU HB3 . 34874 1 564 . 1 . 1 53 53 GLU HG2 H 1 2.342 0.02 . 2 . . . . A 53 GLU HG2 . 34874 1 565 . 1 . 1 53 53 GLU HG3 H 1 2.463 0.02 . 2 . . . . A 53 GLU HG3 . 34874 1 566 . 1 . 1 53 53 GLU CA C 13 60.100 0.10 . 1 . . . . A 53 GLU CA . 34874 1 567 . 1 . 1 53 53 GLU N N 15 119.840 0.10 . 1 . . . . A 53 GLU N . 34874 1 568 . 1 . 1 54 54 ALA H H 1 8.301 0.02 . 1 . . . . A 54 ALA H . 34874 1 569 . 1 . 1 54 54 ALA HA H 1 4.320 0.02 . 1 . . . . A 54 ALA HA . 34874 1 570 . 1 . 1 54 54 ALA HB1 H 1 1.506 0.02 . 1 . . . . A 54 ALA HB1 . 34874 1 571 . 1 . 1 54 54 ALA HB2 H 1 1.506 0.02 . 1 . . . . A 54 ALA HB2 . 34874 1 572 . 1 . 1 54 54 ALA HB3 H 1 1.506 0.02 . 1 . . . . A 54 ALA HB3 . 34874 1 573 . 1 . 1 54 54 ALA CA C 13 55.656 0.10 . 1 . . . . A 54 ALA CA . 34874 1 574 . 1 . 1 54 54 ALA CB C 13 18.151 0.10 . 1 . . . . A 54 ALA CB . 34874 1 575 . 1 . 1 54 54 ALA N N 15 122.620 0.10 . 1 . . . . A 54 ALA N . 34874 1 576 . 1 . 1 55 55 LYS H H 1 7.792 0.02 . 1 . . . . A 55 LYS H . 34874 1 577 . 1 . 1 55 55 LYS HA H 1 4.045 0.02 . 1 . . . . A 55 LYS HA . 34874 1 578 . 1 . 1 55 55 LYS HB2 H 1 2.002 0.02 . 2 . . . . A 55 LYS HB2 . 34874 1 579 . 1 . 1 55 55 LYS HB3 H 1 2.002 0.02 . 2 . . . . A 55 LYS HB3 . 34874 1 580 . 1 . 1 55 55 LYS HD2 H 1 1.657 0.02 . 2 . . . . A 55 LYS HD2 . 34874 1 581 . 1 . 1 55 55 LYS HD3 H 1 1.657 0.02 . 2 . . . . A 55 LYS HD3 . 34874 1 582 . 1 . 1 55 55 LYS HE2 H 1 2.746 0.02 . 2 . . . . A 55 LYS HE2 . 34874 1 583 . 1 . 1 55 55 LYS HE3 H 1 2.685 0.02 . 2 . . . . A 55 LYS HE3 . 34874 1 584 . 1 . 1 55 55 LYS CA C 13 60.450 0.10 . 1 . . . . A 55 LYS CA . 34874 1 585 . 1 . 1 55 55 LYS CB C 13 33.598 0.10 . 1 . . . . A 55 LYS CB . 34874 1 586 . 1 . 1 55 55 LYS CE C 13 42.446 0.10 . 1 . . . . A 55 LYS CE . 34874 1 587 . 1 . 1 55 55 LYS N N 15 119.689 0.10 . 1 . . . . A 55 LYS N . 34874 1 588 . 1 . 1 56 56 ALA H H 1 8.591 0.02 . 1 . . . . A 56 ALA H . 34874 1 589 . 1 . 1 56 56 ALA HA H 1 4.142 0.02 . 1 . . . . A 56 ALA HA . 34874 1 590 . 1 . 1 56 56 ALA HB1 H 1 1.620 0.02 . 1 . . . . A 56 ALA HB1 . 34874 1 591 . 1 . 1 56 56 ALA HB2 H 1 1.620 0.02 . 1 . . . . A 56 ALA HB2 . 34874 1 592 . 1 . 1 56 56 ALA HB3 H 1 1.620 0.02 . 1 . . . . A 56 ALA HB3 . 34874 1 593 . 1 . 1 56 56 ALA CA C 13 55.605 0.10 . 1 . . . . A 56 ALA CA . 34874 1 594 . 1 . 1 56 56 ALA CB C 13 18.020 0.10 . 1 . . . . A 56 ALA CB . 34874 1 595 . 1 . 1 56 56 ALA N N 15 124.105 0.10 . 1 . . . . A 56 ALA N . 34874 1 596 . 1 . 1 57 57 ALA H H 1 8.174 0.02 . 1 . . . . A 57 ALA H . 34874 1 597 . 1 . 1 57 57 ALA HA H 1 4.264 0.02 . 1 . . . . A 57 ALA HA . 34874 1 598 . 1 . 1 57 57 ALA HB1 H 1 1.592 0.02 . 1 . . . . A 57 ALA HB1 . 34874 1 599 . 1 . 1 57 57 ALA HB2 H 1 1.592 0.02 . 1 . . . . A 57 ALA HB2 . 34874 1 600 . 1 . 1 57 57 ALA HB3 H 1 1.592 0.02 . 1 . . . . A 57 ALA HB3 . 34874 1 601 . 1 . 1 57 57 ALA CA C 13 55.518 0.10 . 1 . . . . A 57 ALA CA . 34874 1 602 . 1 . 1 57 57 ALA CB C 13 18.222 0.10 . 1 . . . . A 57 ALA CB . 34874 1 603 . 1 . 1 57 57 ALA N N 15 123.379 0.10 . 1 . . . . A 57 ALA N . 34874 1 604 . 1 . 1 58 58 LYS H H 1 7.888 0.02 . 1 . . . . A 58 LYS H . 34874 1 605 . 1 . 1 58 58 LYS HA H 1 4.209 0.02 . 1 . . . . A 58 LYS HA . 34874 1 606 . 1 . 1 58 58 LYS HB2 H 1 1.980 0.02 . 2 . . . . A 58 LYS HB2 . 34874 1 607 . 1 . 1 58 58 LYS HB3 H 1 1.980 0.02 . 2 . . . . A 58 LYS HB3 . 34874 1 608 . 1 . 1 58 58 LYS HG2 H 1 1.576 0.02 . 2 . . . . A 58 LYS HG2 . 34874 1 609 . 1 . 1 58 58 LYS HG3 H 1 1.576 0.02 . 2 . . . . A 58 LYS HG3 . 34874 1 610 . 1 . 1 58 58 LYS CA C 13 59.231 0.10 . 1 . . . . A 58 LYS CA . 34874 1 611 . 1 . 1 58 58 LYS CB C 13 32.446 0.10 . 1 . . . . A 58 LYS CB . 34874 1 612 . 1 . 1 58 58 LYS N N 15 120.273 0.10 . 1 . . . . A 58 LYS N . 34874 1 613 . 1 . 1 59 59 ALA H H 1 8.050 0.02 . 1 . . . . A 59 ALA H . 34874 1 614 . 1 . 1 59 59 ALA HA H 1 4.323 0.02 . 1 . . . . A 59 ALA HA . 34874 1 615 . 1 . 1 59 59 ALA HB1 H 1 1.651 0.02 . 1 . . . . A 59 ALA HB1 . 34874 1 616 . 1 . 1 59 59 ALA HB2 H 1 1.651 0.02 . 1 . . . . A 59 ALA HB2 . 34874 1 617 . 1 . 1 59 59 ALA HB3 H 1 1.651 0.02 . 1 . . . . A 59 ALA HB3 . 34874 1 618 . 1 . 1 59 59 ALA CA C 13 55.268 0.10 . 1 . . . . A 59 ALA CA . 34874 1 619 . 1 . 1 59 59 ALA CB C 13 18.017 0.10 . 1 . . . . A 59 ALA CB . 34874 1 620 . 1 . 1 59 59 ALA N N 15 120.947 0.10 . 1 . . . . A 59 ALA N . 34874 1 621 . 1 . 1 60 60 LYS H H 1 8.179 0.02 . 1 . . . . A 60 LYS H . 34874 1 622 . 1 . 1 60 60 LYS HA H 1 4.102 0.02 . 1 . . . . A 60 LYS HA . 34874 1 623 . 1 . 1 60 60 LYS HB2 H 1 1.965 0.02 . 2 . . . . A 60 LYS HB2 . 34874 1 624 . 1 . 1 60 60 LYS HB3 H 1 1.965 0.02 . 2 . . . . A 60 LYS HB3 . 34874 1 625 . 1 . 1 60 60 LYS HE2 H 1 3.226 0.02 . 2 . . . . A 60 LYS HE2 . 34874 1 626 . 1 . 1 60 60 LYS HE3 H 1 3.226 0.02 . 2 . . . . A 60 LYS HE3 . 34874 1 627 . 1 . 1 60 60 LYS CA C 13 60.057 0.10 . 1 . . . . A 60 LYS CA . 34874 1 628 . 1 . 1 60 60 LYS CB C 13 32.277 0.10 . 1 . . . . A 60 LYS CB . 34874 1 629 . 1 . 1 60 60 LYS CE C 13 44.437 0.10 . 1 . . . . A 60 LYS CE . 34874 1 630 . 1 . 1 60 60 LYS N N 15 121.582 0.10 . 1 . . . . A 60 LYS N . 34874 1 631 . 1 . 1 61 61 ASP H H 1 8.047 0.02 . 1 . . . . A 61 ASP H . 34874 1 632 . 1 . 1 61 61 ASP HA H 1 4.514 0.02 . 1 . . . . A 61 ASP HA . 34874 1 633 . 1 . 1 61 61 ASP HB2 H 1 2.932 0.02 . 2 . . . . A 61 ASP HB2 . 34874 1 634 . 1 . 1 61 61 ASP HB3 H 1 2.835 0.02 . 2 . . . . A 61 ASP HB3 . 34874 1 635 . 1 . 1 61 61 ASP CA C 13 58.366 0.10 . 1 . . . . A 61 ASP CA . 34874 1 636 . 1 . 1 61 61 ASP CB C 13 41.259 0.10 . 1 . . . . A 61 ASP CB . 34874 1 637 . 1 . 1 61 61 ASP N N 15 121.545 0.10 . 1 . . . . A 61 ASP N . 34874 1 638 . 1 . 1 62 62 ASP H H 1 8.658 0.02 . 1 . . . . A 62 ASP H . 34874 1 639 . 1 . 1 62 62 ASP HA H 1 4.417 0.02 . 1 . . . . A 62 ASP HA . 34874 1 640 . 1 . 1 62 62 ASP HB2 H 1 2.877 0.02 . 2 . . . . A 62 ASP HB2 . 34874 1 641 . 1 . 1 62 62 ASP HB3 H 1 2.729 0.02 . 2 . . . . A 62 ASP HB3 . 34874 1 642 . 1 . 1 62 62 ASP CA C 13 57.770 0.10 . 1 . . . . A 62 ASP CA . 34874 1 643 . 1 . 1 62 62 ASP CB C 13 40.568 0.10 . 1 . . . . A 62 ASP CB . 34874 1 644 . 1 . 1 62 62 ASP N N 15 119.642 0.10 . 1 . . . . A 62 ASP N . 34874 1 645 . 1 . 1 63 63 TYR H H 1 8.173 0.02 . 1 . . . . A 63 TYR H . 34874 1 646 . 1 . 1 63 63 TYR HA H 1 4.363 0.02 . 1 . . . . A 63 TYR HA . 34874 1 647 . 1 . 1 63 63 TYR HB2 H 1 3.350 0.02 . 2 . . . . A 63 TYR HB2 . 34874 1 648 . 1 . 1 63 63 TYR HB3 H 1 3.160 0.02 . 2 . . . . A 63 TYR HB3 . 34874 1 649 . 1 . 1 63 63 TYR HD1 H 1 7.250 0.02 . 3 . . . . A 63 TYR HD1 . 34874 1 650 . 1 . 1 63 63 TYR HD2 H 1 7.250 0.02 . 3 . . . . A 63 TYR HD2 . 34874 1 651 . 1 . 1 63 63 TYR HE1 H 1 6.606 0.02 . 3 . . . . A 63 TYR HE1 . 34874 1 652 . 1 . 1 63 63 TYR HE2 H 1 6.606 0.02 . 3 . . . . A 63 TYR HE2 . 34874 1 653 . 1 . 1 63 63 TYR CA C 13 61.690 0.10 . 1 . . . . A 63 TYR CA . 34874 1 654 . 1 . 1 63 63 TYR CB C 13 38.844 0.10 . 1 . . . . A 63 TYR CB . 34874 1 655 . 1 . 1 63 63 TYR CD1 C 13 135.030 0.10 . 3 . . . . A 63 TYR CD1 . 34874 1 656 . 1 . 1 63 63 TYR CD2 C 13 135.030 0.10 . 3 . . . . A 63 TYR CD2 . 34874 1 657 . 1 . 1 63 63 TYR CE1 C 13 118.434 0.10 . 3 . . . . A 63 TYR CE1 . 34874 1 658 . 1 . 1 63 63 TYR CE2 C 13 118.434 0.10 . 3 . . . . A 63 TYR CE2 . 34874 1 659 . 1 . 1 63 63 TYR N N 15 123.673 0.10 . 1 . . . . A 63 TYR N . 34874 1 660 . 1 . 1 64 64 ASP H H 1 8.797 0.02 . 1 . . . . A 64 ASP H . 34874 1 661 . 1 . 1 64 64 ASP HA H 1 4.173 0.02 . 1 . . . . A 64 ASP HA . 34874 1 662 . 1 . 1 64 64 ASP HB2 H 1 2.950 0.02 . 2 . . . . A 64 ASP HB2 . 34874 1 663 . 1 . 1 64 64 ASP HB3 H 1 2.697 0.02 . 2 . . . . A 64 ASP HB3 . 34874 1 664 . 1 . 1 64 64 ASP CA C 13 57.768 0.10 . 1 . . . . A 64 ASP CA . 34874 1 665 . 1 . 1 64 64 ASP CB C 13 40.458 0.10 . 1 . . . . A 64 ASP CB . 34874 1 666 . 1 . 1 64 64 ASP N N 15 120.490 0.10 . 1 . . . . A 64 ASP N . 34874 1 667 . 1 . 1 65 65 ARG H H 1 7.884 0.02 . 1 . . . . A 65 ARG H . 34874 1 668 . 1 . 1 65 65 ARG HA H 1 4.025 0.02 . 1 . . . . A 65 ARG HA . 34874 1 669 . 1 . 1 65 65 ARG HB2 H 1 1.954 0.02 . 2 . . . . A 65 ARG HB2 . 34874 1 670 . 1 . 1 65 65 ARG HB3 H 1 1.954 0.02 . 2 . . . . A 65 ARG HB3 . 34874 1 671 . 1 . 1 65 65 ARG HG2 H 1 1.623 0.02 . 2 . . . . A 65 ARG HG2 . 34874 1 672 . 1 . 1 65 65 ARG HG3 H 1 1.623 0.02 . 2 . . . . A 65 ARG HG3 . 34874 1 673 . 1 . 1 65 65 ARG HD2 H 1 3.275 0.02 . 2 . . . . A 65 ARG HD2 . 34874 1 674 . 1 . 1 65 65 ARG HD3 H 1 3.275 0.02 . 2 . . . . A 65 ARG HD3 . 34874 1 675 . 1 . 1 65 65 ARG CA C 13 59.889 0.10 . 1 . . . . A 65 ARG CA . 34874 1 676 . 1 . 1 65 65 ARG CB C 13 30.538 0.10 . 1 . . . . A 65 ARG CB . 34874 1 677 . 1 . 1 65 65 ARG N N 15 118.858 0.10 . 1 . . . . A 65 ARG N . 34874 1 678 . 1 . 1 66 66 ALA H H 1 8.134 0.02 . 1 . . . . A 66 ALA H . 34874 1 679 . 1 . 1 66 66 ALA HA H 1 4.207 0.02 . 1 . . . . A 66 ALA HA . 34874 1 680 . 1 . 1 66 66 ALA HB1 H 1 1.541 0.02 . 1 . . . . A 66 ALA HB1 . 34874 1 681 . 1 . 1 66 66 ALA HB2 H 1 1.541 0.02 . 1 . . . . A 66 ALA HB2 . 34874 1 682 . 1 . 1 66 66 ALA HB3 H 1 1.541 0.02 . 1 . . . . A 66 ALA HB3 . 34874 1 683 . 1 . 1 66 66 ALA CA C 13 55.430 0.10 . 1 . . . . A 66 ALA CA . 34874 1 684 . 1 . 1 66 66 ALA CB C 13 18.621 0.10 . 1 . . . . A 66 ALA CB . 34874 1 685 . 1 . 1 66 66 ALA N N 15 123.474 0.10 . 1 . . . . A 66 ALA N . 34874 1 686 . 1 . 1 67 67 VAL H H 1 8.953 0.02 . 1 . . . . A 67 VAL H . 34874 1 687 . 1 . 1 67 67 VAL HA H 1 3.510 0.02 . 1 . . . . A 67 VAL HA . 34874 1 688 . 1 . 1 67 67 VAL HB H 1 1.874 0.02 . 1 . . . . A 67 VAL HB . 34874 1 689 . 1 . 1 67 67 VAL HG11 H 1 0.484 0.02 . 2 . . . . A 67 VAL HG11 . 34874 1 690 . 1 . 1 67 67 VAL HG12 H 1 0.484 0.02 . 2 . . . . A 67 VAL HG12 . 34874 1 691 . 1 . 1 67 67 VAL HG13 H 1 0.484 0.02 . 2 . . . . A 67 VAL HG13 . 34874 1 692 . 1 . 1 67 67 VAL HG21 H 1 0.856 0.02 . 2 . . . . A 67 VAL HG21 . 34874 1 693 . 1 . 1 67 67 VAL HG22 H 1 0.856 0.02 . 2 . . . . A 67 VAL HG22 . 34874 1 694 . 1 . 1 67 67 VAL HG23 H 1 0.856 0.02 . 2 . . . . A 67 VAL HG23 . 34874 1 695 . 1 . 1 67 67 VAL CA C 13 67.195 0.10 . 1 . . . . A 67 VAL CA . 34874 1 696 . 1 . 1 67 67 VAL CB C 13 32.081 0.10 . 1 . . . . A 67 VAL CB . 34874 1 697 . 1 . 1 67 67 VAL CG1 C 13 23.328 0.10 . 2 . . . . A 67 VAL CG1 . 34874 1 698 . 1 . 1 67 67 VAL CG2 C 13 21.775 0.10 . 2 . . . . A 67 VAL CG2 . 34874 1 699 . 1 . 1 67 67 VAL N N 15 121.273 0.10 . 1 . . . . A 67 VAL N . 34874 1 700 . 1 . 1 68 68 LYS H H 1 7.614 0.02 . 1 . . . . A 68 LYS H . 34874 1 701 . 1 . 1 68 68 LYS HA H 1 4.115 0.02 . 1 . . . . A 68 LYS HA . 34874 1 702 . 1 . 1 68 68 LYS HB2 H 1 1.943 0.02 . 2 . . . . A 68 LYS HB2 . 34874 1 703 . 1 . 1 68 68 LYS HB3 H 1 1.943 0.02 . 2 . . . . A 68 LYS HB3 . 34874 1 704 . 1 . 1 68 68 LYS CA C 13 59.746 0.10 . 1 . . . . A 68 LYS CA . 34874 1 705 . 1 . 1 68 68 LYS CB C 13 32.729 0.10 . 1 . . . . A 68 LYS CB . 34874 1 706 . 1 . 1 68 68 LYS N N 15 120.274 0.10 . 1 . . . . A 68 LYS N . 34874 1 707 . 1 . 1 69 69 GLU H H 1 7.935 0.02 . 1 . . . . A 69 GLU H . 34874 1 708 . 1 . 1 69 69 GLU HA H 1 4.094 0.02 . 1 . . . . A 69 GLU HA . 34874 1 709 . 1 . 1 69 69 GLU HB2 H 1 2.087 0.02 . 2 . . . . A 69 GLU HB2 . 34874 1 710 . 1 . 1 69 69 GLU HB3 H 1 2.087 0.02 . 2 . . . . A 69 GLU HB3 . 34874 1 711 . 1 . 1 69 69 GLU HG2 H 1 2.397 0.02 . 2 . . . . A 69 GLU HG2 . 34874 1 712 . 1 . 1 69 69 GLU HG3 H 1 2.397 0.02 . 2 . . . . A 69 GLU HG3 . 34874 1 713 . 1 . 1 69 69 GLU CA C 13 59.704 0.10 . 1 . . . . A 69 GLU CA . 34874 1 714 . 1 . 1 69 69 GLU CB C 13 29.881 0.10 . 1 . . . . A 69 GLU CB . 34874 1 715 . 1 . 1 69 69 GLU CG C 13 36.638 0.10 . 1 . . . . A 69 GLU CG . 34874 1 716 . 1 . 1 69 69 GLU N N 15 119.576 0.10 . 1 . . . . A 69 GLU N . 34874 1 717 . 1 . 1 70 70 PHE H H 1 8.224 0.02 . 1 . . . . A 70 PHE H . 34874 1 718 . 1 . 1 70 70 PHE HA H 1 4.355 0.02 . 1 . . . . A 70 PHE HA . 34874 1 719 . 1 . 1 70 70 PHE HB2 H 1 3.280 0.02 . 2 . . . . A 70 PHE HB2 . 34874 1 720 . 1 . 1 70 70 PHE HB3 H 1 3.280 0.02 . 2 . . . . A 70 PHE HB3 . 34874 1 721 . 1 . 1 70 70 PHE HD1 H 1 7.278 0.02 . 3 . . . . A 70 PHE HD1 . 34874 1 722 . 1 . 1 70 70 PHE HD2 H 1 7.278 0.02 . 3 . . . . A 70 PHE HD2 . 34874 1 723 . 1 . 1 70 70 PHE HE1 H 1 7.344 0.02 . 3 . . . . A 70 PHE HE1 . 34874 1 724 . 1 . 1 70 70 PHE HE2 H 1 7.344 0.02 . 3 . . . . A 70 PHE HE2 . 34874 1 725 . 1 . 1 70 70 PHE HZ H 1 7.308 0.02 . 1 . . . . A 70 PHE HZ . 34874 1 726 . 1 . 1 70 70 PHE CA C 13 61.011 0.10 . 1 . . . . A 70 PHE CA . 34874 1 727 . 1 . 1 70 70 PHE CB C 13 39.760 0.10 . 1 . . . . A 70 PHE CB . 34874 1 728 . 1 . 1 70 70 PHE CD1 C 13 132.628 0.10 . 3 . . . . A 70 PHE CD1 . 34874 1 729 . 1 . 1 70 70 PHE CD2 C 13 132.628 0.10 . 3 . . . . A 70 PHE CD2 . 34874 1 730 . 1 . 1 70 70 PHE CE1 C 13 131.876 0.10 . 3 . . . . A 70 PHE CE1 . 34874 1 731 . 1 . 1 70 70 PHE CE2 C 13 131.876 0.10 . 3 . . . . A 70 PHE CE2 . 34874 1 732 . 1 . 1 70 70 PHE CZ C 13 130.717 0.10 . 1 . . . . A 70 PHE CZ . 34874 1 733 . 1 . 1 70 70 PHE N N 15 120.891 0.10 . 1 . . . . A 70 PHE N . 34874 1 734 . 1 . 1 71 71 GLU H H 1 8.584 0.02 . 1 . . . . A 71 GLU H . 34874 1 735 . 1 . 1 71 71 GLU HA H 1 3.883 0.02 . 1 . . . . A 71 GLU HA . 34874 1 736 . 1 . 1 71 71 GLU HB2 H 1 2.098 0.02 . 2 . . . . A 71 GLU HB2 . 34874 1 737 . 1 . 1 71 71 GLU HB3 H 1 2.034 0.02 . 2 . . . . A 71 GLU HB3 . 34874 1 738 . 1 . 1 71 71 GLU HG2 H 1 2.283 0.02 . 2 . . . . A 71 GLU HG2 . 34874 1 739 . 1 . 1 71 71 GLU HG3 H 1 2.605 0.02 . 2 . . . . A 71 GLU HG3 . 34874 1 740 . 1 . 1 71 71 GLU CA C 13 58.891 0.10 . 1 . . . . A 71 GLU CA . 34874 1 741 . 1 . 1 71 71 GLU CB C 13 30.028 0.10 . 1 . . . . A 71 GLU CB . 34874 1 742 . 1 . 1 71 71 GLU N N 15 119.113 0.10 . 1 . . . . A 71 GLU N . 34874 1 743 . 1 . 1 72 72 ALA H H 1 8.021 0.02 . 1 . . . . A 72 ALA H . 34874 1 744 . 1 . 1 72 72 ALA HA H 1 4.203 0.02 . 1 . . . . A 72 ALA HA . 34874 1 745 . 1 . 1 72 72 ALA HB1 H 1 1.485 0.02 . 1 . . . . A 72 ALA HB1 . 34874 1 746 . 1 . 1 72 72 ALA HB2 H 1 1.485 0.02 . 1 . . . . A 72 ALA HB2 . 34874 1 747 . 1 . 1 72 72 ALA HB3 H 1 1.485 0.02 . 1 . . . . A 72 ALA HB3 . 34874 1 748 . 1 . 1 72 72 ALA CA C 13 54.541 0.10 . 1 . . . . A 72 ALA CA . 34874 1 749 . 1 . 1 72 72 ALA CB C 13 18.811 0.10 . 1 . . . . A 72 ALA CB . 34874 1 750 . 1 . 1 72 72 ALA N N 15 122.211 0.10 . 1 . . . . A 72 ALA N . 34874 1 751 . 1 . 1 73 73 ASN H H 1 7.757 0.02 . 1 . . . . A 73 ASN H . 34874 1 752 . 1 . 1 73 73 ASN HA H 1 4.761 0.02 . 1 . . . . A 73 ASN HA . 34874 1 753 . 1 . 1 73 73 ASN HB2 H 1 2.917 0.02 . 2 . . . . A 73 ASN HB2 . 34874 1 754 . 1 . 1 73 73 ASN HB3 H 1 2.757 0.02 . 2 . . . . A 73 ASN HB3 . 34874 1 755 . 1 . 1 73 73 ASN HD21 H 1 7.622 0.02 . 2 . . . . A 73 ASN HD21 . 34874 1 756 . 1 . 1 73 73 ASN HD22 H 1 6.983 0.02 . 2 . . . . A 73 ASN HD22 . 34874 1 757 . 1 . 1 73 73 ASN CA C 13 53.479 0.10 . 1 . . . . A 73 ASN CA . 34874 1 758 . 1 . 1 73 73 ASN CB C 13 39.491 0.10 . 1 . . . . A 73 ASN CB . 34874 1 759 . 1 . 1 73 73 ASN N N 15 114.824 0.10 . 1 . . . . A 73 ASN N . 34874 1 760 . 1 . 1 73 73 ASN ND2 N 15 113.193 0.10 . 1 . . . . A 73 ASN ND2 . 34874 1 761 . 1 . 1 74 74 GLY H H 1 7.869 0.02 . 1 . . . . A 74 GLY H . 34874 1 762 . 1 . 1 74 74 GLY HA2 H 1 4.050 0.02 . 2 . . . . A 74 GLY HA2 . 34874 1 763 . 1 . 1 74 74 GLY HA3 H 1 3.781 0.02 . 2 . . . . A 74 GLY HA3 . 34874 1 764 . 1 . 1 74 74 GLY CA C 13 45.987 0.10 . 1 . . . . A 74 GLY CA . 34874 1 765 . 1 . 1 74 74 GLY N N 15 107.421 0.10 . 1 . . . . A 74 GLY N . 34874 1 766 . 1 . 1 75 75 GLY H H 1 8.011 0.02 . 1 . . . . A 75 GLY H . 34874 1 767 . 1 . 1 75 75 GLY HA2 H 1 3.399 0.02 . 2 . . . . A 75 GLY HA2 . 34874 1 768 . 1 . 1 75 75 GLY HA3 H 1 3.254 0.02 . 2 . . . . A 75 GLY HA3 . 34874 1 769 . 1 . 1 75 75 GLY CA C 13 45.741 0.10 . 1 . . . . A 75 GLY CA . 34874 1 770 . 1 . 1 75 75 GLY N N 15 108.622 0.10 . 1 . . . . A 75 GLY N . 34874 1 771 . 1 . 1 76 76 SER H H 1 8.296 0.02 . 1 . . . . A 76 SER H . 34874 1 772 . 1 . 1 76 76 SER HA H 1 4.555 0.02 . 1 . . . . A 76 SER HA . 34874 1 773 . 1 . 1 76 76 SER HB2 H 1 3.937 0.02 . 2 . . . . A 76 SER HB2 . 34874 1 774 . 1 . 1 76 76 SER HB3 H 1 3.937 0.02 . 2 . . . . A 76 SER HB3 . 34874 1 775 . 1 . 1 76 76 SER CA C 13 58.839 0.10 . 1 . . . . A 76 SER CA . 34874 1 776 . 1 . 1 76 76 SER CB C 13 64.309 0.10 . 1 . . . . A 76 SER CB . 34874 1 777 . 1 . 1 76 76 SER N N 15 116.173 0.10 . 1 . . . . A 76 SER N . 34874 1 778 . 1 . 1 77 77 SER H H 1 8.497 0.02 . 1 . . . . A 77 SER H . 34874 1 779 . 1 . 1 77 77 SER HA H 1 4.507 0.02 . 1 . . . . A 77 SER HA . 34874 1 780 . 1 . 1 77 77 SER HB2 H 1 3.928 0.02 . 2 . . . . A 77 SER HB2 . 34874 1 781 . 1 . 1 77 77 SER HB3 H 1 3.928 0.02 . 2 . . . . A 77 SER HB3 . 34874 1 782 . 1 . 1 77 77 SER CA C 13 59.057 0.10 . 1 . . . . A 77 SER CA . 34874 1 783 . 1 . 1 77 77 SER CB C 13 64.254 0.10 . 1 . . . . A 77 SER CB . 34874 1 784 . 1 . 1 77 77 SER N N 15 118.285 0.10 . 1 . . . . A 77 SER N . 34874 1 785 . 1 . 1 78 78 ALA H H 1 8.243 0.02 . 1 . . . . A 78 ALA H . 34874 1 786 . 1 . 1 78 78 ALA HA H 1 4.327 0.02 . 1 . . . . A 78 ALA HA . 34874 1 787 . 1 . 1 78 78 ALA HB1 H 1 1.396 0.02 . 1 . . . . A 78 ALA HB1 . 34874 1 788 . 1 . 1 78 78 ALA HB2 H 1 1.396 0.02 . 1 . . . . A 78 ALA HB2 . 34874 1 789 . 1 . 1 78 78 ALA HB3 H 1 1.396 0.02 . 1 . . . . A 78 ALA HB3 . 34874 1 790 . 1 . 1 78 78 ALA CA C 13 53.087 0.10 . 1 . . . . A 78 ALA CA . 34874 1 791 . 1 . 1 78 78 ALA CB C 13 19.652 0.10 . 1 . . . . A 78 ALA CB . 34874 1 792 . 1 . 1 78 78 ALA N N 15 125.470 0.10 . 1 . . . . A 78 ALA N . 34874 1 793 . 1 . 1 79 79 ALA H H 1 8.184 0.02 . 1 . . . . A 79 ALA H . 34874 1 794 . 1 . 1 79 79 ALA HA H 1 4.293 0.02 . 1 . . . . A 79 ALA HA . 34874 1 795 . 1 . 1 79 79 ALA HB1 H 1 1.401 0.02 . 1 . . . . A 79 ALA HB1 . 34874 1 796 . 1 . 1 79 79 ALA HB2 H 1 1.401 0.02 . 1 . . . . A 79 ALA HB2 . 34874 1 797 . 1 . 1 79 79 ALA HB3 H 1 1.401 0.02 . 1 . . . . A 79 ALA HB3 . 34874 1 798 . 1 . 1 79 79 ALA CA C 13 53.069 0.10 . 1 . . . . A 79 ALA CA . 34874 1 799 . 1 . 1 79 79 ALA CB C 13 19.470 0.10 . 1 . . . . A 79 ALA CB . 34874 1 800 . 1 . 1 79 79 ALA N N 15 122.089 0.10 . 1 . . . . A 79 ALA N . 34874 1 801 . 1 . 1 80 80 ASN H H 1 8.306 0.02 . 1 . . . . A 80 ASN H . 34874 1 802 . 1 . 1 80 80 ASN HA H 1 4.724 0.02 . 1 . . . . A 80 ASN HA . 34874 1 803 . 1 . 1 80 80 ASN HB2 H 1 2.837 0.02 . 2 . . . . A 80 ASN HB2 . 34874 1 804 . 1 . 1 80 80 ASN HB3 H 1 2.837 0.02 . 2 . . . . A 80 ASN HB3 . 34874 1 805 . 1 . 1 80 80 ASN HD21 H 1 7.637 0.02 . 1 . . . . A 80 ASN HD21 . 34874 1 806 . 1 . 1 80 80 ASN HD22 H 1 6.948 0.02 . 1 . . . . A 80 ASN HD22 . 34874 1 807 . 1 . 1 80 80 ASN CA C 13 53.642 0.10 . 1 . . . . A 80 ASN CA . 34874 1 808 . 1 . 1 80 80 ASN CB C 13 39.338 0.10 . 1 . . . . A 80 ASN CB . 34874 1 809 . 1 . 1 80 80 ASN N N 15 116.879 0.10 . 1 . . . . A 80 ASN N . 34874 1 810 . 1 . 1 80 80 ASN ND2 N 15 112.160 0.10 . 1 . . . . A 80 ASN ND2 . 34874 1 811 . 1 . 1 87 87 ARG HA H 1 4.307 0.02 . 1 . . . . A 87 ARG HA . 34874 1 812 . 1 . 1 87 87 ARG HB2 H 1 1.787 0.02 . 2 . . . . A 87 ARG HB2 . 34874 1 813 . 1 . 1 87 87 ARG HB3 H 1 1.787 0.02 . 2 . . . . A 87 ARG HB3 . 34874 1 814 . 1 . 1 87 87 ARG CA C 13 56.542 0.10 . 1 . . . . A 87 ARG CA . 34874 1 815 . 1 . 1 87 87 ARG CB C 13 31.426 0.10 . 1 . . . . A 87 ARG CB . 34874 1 816 . 1 . 1 88 88 ALA H H 1 8.374 0.02 . 1 . . . . A 88 ALA H . 34874 1 817 . 1 . 1 88 88 ALA HA H 1 4.301 0.02 . 1 . . . . A 88 ALA HA . 34874 1 818 . 1 . 1 88 88 ALA HB1 H 1 1.370 0.02 . 1 . . . . A 88 ALA HB1 . 34874 1 819 . 1 . 1 88 88 ALA HB2 H 1 1.370 0.02 . 1 . . . . A 88 ALA HB2 . 34874 1 820 . 1 . 1 88 88 ALA HB3 H 1 1.370 0.02 . 1 . . . . A 88 ALA HB3 . 34874 1 821 . 1 . 1 88 88 ALA CA C 13 52.824 0.10 . 1 . . . . A 88 ALA CA . 34874 1 822 . 1 . 1 88 88 ALA CB C 13 19.846 0.10 . 1 . . . . A 88 ALA CB . 34874 1 823 . 1 . 1 88 88 ALA N N 15 125.461 0.10 . 1 . . . . A 88 ALA N . 34874 1 824 . 1 . 1 90 90 PRO HA H 1 4.427 0.02 . 1 . . . . A 90 PRO HA . 34874 1 825 . 1 . 1 90 90 PRO HB2 H 1 1.909 0.02 . 2 . . . . A 90 PRO HB2 . 34874 1 826 . 1 . 1 90 90 PRO HB3 H 1 2.318 0.02 . 2 . . . . A 90 PRO HB3 . 34874 1 827 . 1 . 1 90 90 PRO HG2 H 1 2.046 0.02 . 2 . . . . A 90 PRO HG2 . 34874 1 828 . 1 . 1 90 90 PRO HG3 H 1 2.046 0.02 . 2 . . . . A 90 PRO HG3 . 34874 1 829 . 1 . 1 90 90 PRO HD2 H 1 3.853 0.02 . 2 . . . . A 90 PRO HD2 . 34874 1 830 . 1 . 1 90 90 PRO HD3 H 1 3.655 0.02 . 2 . . . . A 90 PRO HD3 . 34874 1 831 . 1 . 1 90 90 PRO CA C 13 63.367 0.10 . 1 . . . . A 90 PRO CA . 34874 1 832 . 1 . 1 90 90 PRO CB C 13 32.520 0.10 . 1 . . . . A 90 PRO CB . 34874 1 833 . 1 . 1 90 90 PRO CG C 13 27.900 0.10 . 1 . . . . A 90 PRO CG . 34874 1 834 . 1 . 1 90 90 PRO CD C 13 51.070 0.10 . 1 . . . . A 90 PRO CD . 34874 1 835 . 1 . 1 91 91 ALA H H 1 8.443 0.02 . 1 . . . . A 91 ALA H . 34874 1 836 . 1 . 1 91 91 ALA HA H 1 4.307 0.02 . 1 . . . . A 91 ALA HA . 34874 1 837 . 1 . 1 91 91 ALA HB1 H 1 1.397 0.02 . 1 . . . . A 91 ALA HB1 . 34874 1 838 . 1 . 1 91 91 ALA HB2 H 1 1.397 0.02 . 1 . . . . A 91 ALA HB2 . 34874 1 839 . 1 . 1 91 91 ALA HB3 H 1 1.397 0.02 . 1 . . . . A 91 ALA HB3 . 34874 1 840 . 1 . 1 91 91 ALA CB C 13 19.935 0.10 . 1 . . . . A 91 ALA CB . 34874 1 841 . 1 . 1 91 91 ALA N N 15 124.573 0.10 . 1 . . . . A 91 ALA N . 34874 1 842 . 1 . 1 94 94 VAL HA H 1 4.102 0.02 . 1 . . . . A 94 VAL HA . 34874 1 843 . 1 . 1 94 94 VAL HB H 1 2.048 0.02 . 1 . . . . A 94 VAL HB . 34874 1 844 . 1 . 1 94 94 VAL HG11 H 1 0.934 0.02 . 2 . . . . A 94 VAL HG11 . 34874 1 845 . 1 . 1 94 94 VAL HG12 H 1 0.934 0.02 . 2 . . . . A 94 VAL HG12 . 34874 1 846 . 1 . 1 94 94 VAL HG13 H 1 0.934 0.02 . 2 . . . . A 94 VAL HG13 . 34874 1 847 . 1 . 1 94 94 VAL HG21 H 1 0.937 0.02 . 2 . . . . A 94 VAL HG21 . 34874 1 848 . 1 . 1 94 94 VAL HG22 H 1 0.937 0.02 . 2 . . . . A 94 VAL HG22 . 34874 1 849 . 1 . 1 94 94 VAL HG23 H 1 0.937 0.02 . 2 . . . . A 94 VAL HG23 . 34874 1 850 . 1 . 1 94 94 VAL CA C 13 62.347 0.10 . 1 . . . . A 94 VAL CA . 34874 1 851 . 1 . 1 94 94 VAL CB C 13 33.158 0.10 . 1 . . . . A 94 VAL CB . 34874 1 852 . 1 . 1 94 94 VAL CG1 C 13 21.637 0.10 . 2 . . . . A 94 VAL CG1 . 34874 1 853 . 1 . 1 94 94 VAL CG2 C 13 21.000 0.10 . 2 . . . . A 94 VAL CG2 . 34874 1 854 . 1 . 1 95 95 ALA H H 1 8.398 0.02 . 1 . . . . A 95 ALA H . 34874 1 855 . 1 . 1 95 95 ALA HA H 1 4.307 0.02 . 1 . . . . A 95 ALA HA . 34874 1 856 . 1 . 1 95 95 ALA HB1 H 1 1.364 0.02 . 1 . . . . A 95 ALA HB1 . 34874 1 857 . 1 . 1 95 95 ALA HB2 H 1 1.364 0.02 . 1 . . . . A 95 ALA HB2 . 34874 1 858 . 1 . 1 95 95 ALA HB3 H 1 1.364 0.02 . 1 . . . . A 95 ALA HB3 . 34874 1 859 . 1 . 1 95 95 ALA CB C 13 19.669 0.10 . 1 . . . . A 95 ALA CB . 34874 1 860 . 1 . 1 95 95 ALA N N 15 127.810 0.10 . 1 . . . . A 95 ALA N . 34874 1 861 . 1 . 1 98 98 SER HA H 1 4.445 0.02 . 1 . . . . A 98 SER HA . 34874 1 862 . 1 . 1 98 98 SER HB2 H 1 3.866 0.02 . 2 . . . . A 98 SER HB2 . 34874 1 863 . 1 . 1 98 98 SER HB3 H 1 3.866 0.02 . 2 . . . . A 98 SER HB3 . 34874 1 864 . 1 . 1 98 98 SER CA C 13 58.826 0.10 . 1 . . . . A 98 SER CA . 34874 1 865 . 1 . 1 98 98 SER CB C 13 64.372 0.10 . 1 . . . . A 98 SER CB . 34874 1 866 . 1 . 1 99 99 LYS H H 1 8.370 0.02 . 1 . . . . A 99 LYS H . 34874 1 867 . 1 . 1 99 99 LYS HA H 1 4.329 0.02 . 1 . . . . A 99 LYS HA . 34874 1 868 . 1 . 1 99 99 LYS HB2 H 1 1.845 0.02 . 2 . . . . A 99 LYS HB2 . 34874 1 869 . 1 . 1 99 99 LYS HB3 H 1 1.742 0.02 . 2 . . . . A 99 LYS HB3 . 34874 1 870 . 1 . 1 99 99 LYS HG2 H 1 1.477 0.02 . 2 . . . . A 99 LYS HG2 . 34874 1 871 . 1 . 1 99 99 LYS HG3 H 1 1.477 0.02 . 2 . . . . A 99 LYS HG3 . 34874 1 872 . 1 . 1 99 99 LYS HD2 H 1 1.678 0.02 . 2 . . . . A 99 LYS HD2 . 34874 1 873 . 1 . 1 99 99 LYS HD3 H 1 1.678 0.02 . 2 . . . . A 99 LYS HD3 . 34874 1 874 . 1 . 1 99 99 LYS HE2 H 1 3.189 0.02 . 2 . . . . A 99 LYS HE2 . 34874 1 875 . 1 . 1 99 99 LYS HE3 H 1 3.189 0.02 . 2 . . . . A 99 LYS HE3 . 34874 1 876 . 1 . 1 99 99 LYS CA C 13 56.930 0.10 . 1 . . . . A 99 LYS CA . 34874 1 877 . 1 . 1 99 99 LYS CB C 13 33.561 0.10 . 1 . . . . A 99 LYS CB . 34874 1 878 . 1 . 1 99 99 LYS CD C 13 27.718 0.10 . 1 . . . . A 99 LYS CD . 34874 1 879 . 1 . 1 99 99 LYS CE C 13 43.946 0.10 . 1 . . . . A 99 LYS CE . 34874 1 880 . 1 . 1 99 99 LYS N N 15 122.773 0.10 . 1 . . . . A 99 LYS N . 34874 1 881 . 1 . 1 102 102 GLU CA C 13 57.472 0.10 . 1 . . . . A 102 GLU CA . 34874 1 882 . 1 . 1 102 102 GLU CB C 13 30.286 0.10 . 1 . . . . A 102 GLU CB . 34874 1 883 . 1 . 1 103 103 SER H H 1 8.089 0.02 . 1 . . . . A 103 SER H . 34874 1 884 . 1 . 1 103 103 SER CA C 13 58.483 0.10 . 1 . . . . A 103 SER CA . 34874 1 885 . 1 . 1 103 103 SER CB C 13 64.500 0.10 . 1 . . . . A 103 SER CB . 34874 1 886 . 1 . 1 103 103 SER N N 15 114.510 0.10 . 1 . . . . A 103 SER N . 34874 1 887 . 1 . 1 104 104 ASP H H 1 8.329 0.02 . 1 . . . . A 104 ASP H . 34874 1 888 . 1 . 1 104 104 ASP N N 15 122.285 0.10 . 1 . . . . A 104 ASP N . 34874 1 889 . 1 . 1 109 109 ASP CA C 13 54.820 0.10 . 1 . . . . A 109 ASP CA . 34874 1 890 . 1 . 1 109 109 ASP CB C 13 41.692 0.10 . 1 . . . . A 109 ASP CB . 34874 1 891 . 1 . 1 110 110 GLU H H 1 8.390 0.02 . 1 . . . . A 110 GLU H . 34874 1 892 . 1 . 1 110 110 GLU CA C 13 56.815 0.10 . 1 . . . . A 110 GLU CA . 34874 1 893 . 1 . 1 110 110 GLU CB C 13 30.504 0.10 . 1 . . . . A 110 GLU CB . 34874 1 894 . 1 . 1 110 110 GLU N N 15 121.073 0.10 . 1 . . . . A 110 GLU N . 34874 1 895 . 1 . 1 111 111 SER H H 1 8.316 0.02 . 1 . . . . A 111 SER H . 34874 1 896 . 1 . 1 111 111 SER CA C 13 59.058 0.10 . 1 . . . . A 111 SER CA . 34874 1 897 . 1 . 1 111 111 SER CB C 13 64.474 0.10 . 1 . . . . A 111 SER CB . 34874 1 898 . 1 . 1 111 111 SER N N 15 117.273 0.10 . 1 . . . . A 111 SER N . 34874 1 899 . 1 . 1 112 112 GLU H H 1 8.056 0.02 . 1 . . . . A 112 GLU H . 34874 1 900 . 1 . 1 112 112 GLU N N 15 127.478 0.10 . 1 . . . . A 112 GLU N . 34874 1 901 . 2 . 2 1 1 DC H1' H 1 5.757 0.02 . 1 . . . . B 1 DC H1' . 34874 1 902 . 2 . 2 1 1 DC H2' H 1 1.911 0.02 . 2 . . . . B 1 DC H2' . 34874 1 903 . 2 . 2 1 1 DC H2'' H 1 2.409 0.02 . 2 . . . . B 1 DC H2'' . 34874 1 904 . 2 . 2 1 1 DC H3' H 1 4.715 0.02 . 1 . . . . B 1 DC H3' . 34874 1 905 . 2 . 2 1 1 DC H4' H 1 4.070 0.02 . 1 . . . . B 1 DC H4' . 34874 1 906 . 2 . 2 1 1 DC H5 H 1 5.903 0.02 . 1 . . . . B 1 DC H5 . 34874 1 907 . 2 . 2 1 1 DC H5' H 1 3.997 0.02 . 2 . . . . B 1 DC H5' . 34874 1 908 . 2 . 2 1 1 DC H6 H 1 7.625 0.02 . 1 . . . . B 1 DC H6 . 34874 1 909 . 2 . 2 1 1 DC H41 H 1 7.006 0.02 . 2 . . . . B 1 DC H41 . 34874 1 910 . 2 . 2 1 1 DC H42 H 1 8.105 0.02 . 2 . . . . B 1 DC H42 . 34874 1 911 . 2 . 2 2 2 DG H1 H 1 12.870 0.02 . 1 . . . . B 2 DG H1 . 34874 1 912 . 2 . 2 2 2 DG H1' H 1 5.610 0.02 . 1 . . . . B 2 DG H1' . 34874 1 913 . 2 . 2 2 2 DG H2' H 1 2.740 0.02 . 2 . . . . B 2 DG H2' . 34874 1 914 . 2 . 2 2 2 DG H2'' H 1 2.844 0.02 . 2 . . . . B 2 DG H2'' . 34874 1 915 . 2 . 2 2 2 DG H3' H 1 5.031 0.02 . 1 . . . . B 2 DG H3' . 34874 1 916 . 2 . 2 2 2 DG H4' H 1 4.342 0.02 . 1 . . . . B 2 DG H4' . 34874 1 917 . 2 . 2 2 2 DG H8 H 1 7.978 0.02 . 1 . . . . B 2 DG H8 . 34874 1 918 . 2 . 2 3 3 DA H1' H 1 6.310 0.02 . 1 . . . . B 3 DA H1' . 34874 1 919 . 2 . 2 3 3 DA H2 H 1 7.849 0.02 . 1 . . . . B 3 DA H2 . 34874 1 920 . 2 . 2 3 3 DA H2' H 1 2.697 0.02 . 2 . . . . B 3 DA H2' . 34874 1 921 . 2 . 2 3 3 DA H2'' H 1 2.982 0.02 . 2 . . . . B 3 DA H2'' . 34874 1 922 . 2 . 2 3 3 DA H3' H 1 5.059 0.02 . 1 . . . . B 3 DA H3' . 34874 1 923 . 2 . 2 3 3 DA H4' H 1 4.483 0.02 . 1 . . . . B 3 DA H4' . 34874 1 924 . 2 . 2 3 3 DA H8 H 1 8.261 0.02 . 1 . . . . B 3 DA H8 . 34874 1 925 . 2 . 2 4 4 DT H1' H 1 5.745 0.02 . 1 . . . . B 4 DT H1' . 34874 1 926 . 2 . 2 4 4 DT H2' H 1 1.945 0.02 . 2 . . . . B 4 DT H2' . 34874 1 927 . 2 . 2 4 4 DT H2'' H 1 2.320 0.02 . 2 . . . . B 4 DT H2'' . 34874 1 928 . 2 . 2 4 4 DT H3' H 1 4.890 0.02 . 1 . . . . B 4 DT H3' . 34874 1 929 . 2 . 2 4 4 DT H4' H 1 4.111 0.02 . 1 . . . . B 4 DT H4' . 34874 1 930 . 2 . 2 4 4 DT H6 H 1 7.122 0.02 . 1 . . . . B 4 DT H6 . 34874 1 931 . 2 . 2 4 4 DT H71 H 1 1.547 0.02 . 1 . . . . B 4 DT H71 . 34874 1 932 . 2 . 2 4 4 DT H72 H 1 1.547 0.02 . 1 . . . . B 4 DT H72 . 34874 1 933 . 2 . 2 4 4 DT H73 H 1 1.547 0.02 . 1 . . . . B 4 DT H73 . 34874 1 934 . 2 . 2 5 5 DA H1' H 1 6.171 0.02 . 1 . . . . B 5 DA H1' . 34874 1 935 . 2 . 2 5 5 DA H2 H 1 7.261 0.02 . 1 . . . . B 5 DA H2 . 34874 1 936 . 2 . 2 5 5 DA H2' H 1 2.626 0.02 . 2 . . . . B 5 DA H2' . 34874 1 937 . 2 . 2 5 5 DA H2'' H 1 2.693 0.02 . 2 . . . . B 5 DA H2'' . 34874 1 938 . 2 . 2 5 5 DA H3' H 1 5.000 0.02 . 1 . . . . B 5 DA H3' . 34874 1 939 . 2 . 2 5 5 DA H4' H 1 4.314 0.02 . 1 . . . . B 5 DA H4' . 34874 1 940 . 2 . 2 5 5 DA H8 H 1 8.279 0.02 . 1 . . . . B 5 DA H8 . 34874 1 941 . 2 . 2 6 6 DT H1' H 1 5.935 0.02 . 1 . . . . B 6 DT H1' . 34874 1 942 . 2 . 2 6 6 DT H2' H 1 1.807 0.02 . 2 . . . . B 6 DT H2' . 34874 1 943 . 2 . 2 6 6 DT H2'' H 1 2.161 0.02 . 2 . . . . B 6 DT H2'' . 34874 1 944 . 2 . 2 6 6 DT H3' H 1 4.746 0.02 . 1 . . . . B 6 DT H3' . 34874 1 945 . 2 . 2 6 6 DT H4' H 1 3.993 0.02 . 1 . . . . B 6 DT H4' . 34874 1 946 . 2 . 2 6 6 DT H6 H 1 7.185 0.02 . 1 . . . . B 6 DT H6 . 34874 1 947 . 2 . 2 6 6 DT H71 H 1 1.518 0.02 . 1 . . . . B 6 DT H71 . 34874 1 948 . 2 . 2 6 6 DT H72 H 1 1.518 0.02 . 1 . . . . B 6 DT H72 . 34874 1 949 . 2 . 2 6 6 DT H73 H 1 1.518 0.02 . 1 . . . . B 6 DT H73 . 34874 1 950 . 2 . 2 7 7 DT H1' H 1 5.692 0.02 . 1 . . . . B 7 DT H1' . 34874 1 951 . 2 . 2 7 7 DT H2' H 1 2.382 0.02 . 2 . . . . B 7 DT H2' . 34874 1 952 . 2 . 2 7 7 DT H3' H 1 4.650 0.02 . 1 . . . . B 7 DT H3' . 34874 1 953 . 2 . 2 7 7 DT H4' H 1 3.877 0.02 . 1 . . . . B 7 DT H4' . 34874 1 954 . 2 . 2 7 7 DT H6 H 1 7.002 0.02 . 1 . . . . B 7 DT H6 . 34874 1 955 . 2 . 2 7 7 DT H71 H 1 1.705 0.02 . 1 . . . . B 7 DT H71 . 34874 1 956 . 2 . 2 7 7 DT H72 H 1 1.705 0.02 . 1 . . . . B 7 DT H72 . 34874 1 957 . 2 . 2 7 7 DT H73 H 1 1.705 0.02 . 1 . . . . B 7 DT H73 . 34874 1 958 . 2 . 2 8 8 DA H1' H 1 5.513 0.02 . 1 . . . . B 8 DA H1' . 34874 1 959 . 2 . 2 8 8 DA H2 H 1 7.683 0.02 . 1 . . . . B 8 DA H2 . 34874 1 960 . 2 . 2 8 8 DA H2' H 1 2.342 0.02 . 2 . . . . B 8 DA H2' . 34874 1 961 . 2 . 2 8 8 DA H2'' H 1 2.397 0.02 . 2 . . . . B 8 DA H2'' . 34874 1 962 . 2 . 2 8 8 DA H3' H 1 4.866 0.02 . 1 . . . . B 8 DA H3' . 34874 1 963 . 2 . 2 8 8 DA H4' H 1 3.888 0.02 . 1 . . . . B 8 DA H4' . 34874 1 964 . 2 . 2 8 8 DA H8 H 1 7.877 0.02 . 1 . . . . B 8 DA H8 . 34874 1 965 . 2 . 2 9 9 DA H1' H 1 5.116 0.02 . 1 . . . . B 9 DA H1' . 34874 1 966 . 2 . 2 9 9 DA H2 H 1 7.264 0.02 . 1 . . . . B 9 DA H2 . 34874 1 967 . 2 . 2 9 9 DA H3' H 1 4.816 0.02 . 1 . . . . B 9 DA H3' . 34874 1 968 . 2 . 2 9 9 DA H8 H 1 7.873 0.02 . 1 . . . . B 9 DA H8 . 34874 1 969 . 2 . 2 10 10 DG H1 H 1 12.249 0.02 . 1 . . . . B 10 DG H1 . 34874 1 970 . 2 . 2 10 10 DG H1' H 1 5.351 0.02 . 1 . . . . B 10 DG H1' . 34874 1 971 . 2 . 2 10 10 DG H2' H 1 2.660 0.02 . 2 . . . . B 10 DG H2' . 34874 1 972 . 2 . 2 10 10 DG H2'' H 1 2.702 0.02 . 2 . . . . B 10 DG H2'' . 34874 1 973 . 2 . 2 10 10 DG H3' H 1 4.968 0.02 . 1 . . . . B 10 DG H3' . 34874 1 974 . 2 . 2 10 10 DG H4' H 1 4.323 0.02 . 1 . . . . B 10 DG H4' . 34874 1 975 . 2 . 2 10 10 DG H8 H 1 7.810 0.02 . 1 . . . . B 10 DG H8 . 34874 1 976 . 2 . 2 11 11 DA H1' H 1 5.993 0.02 . 1 . . . . B 11 DA H1' . 34874 1 977 . 2 . 2 11 11 DA H2 H 1 7.574 0.02 . 1 . . . . B 11 DA H2 . 34874 1 978 . 2 . 2 11 11 DA H2' H 1 2.650 0.02 . 2 . . . . B 11 DA H2' . 34874 1 979 . 2 . 2 11 11 DA H2'' H 1 2.807 0.02 . 2 . . . . B 11 DA H2'' . 34874 1 980 . 2 . 2 11 11 DA H3' H 1 5.042 0.02 . 1 . . . . B 11 DA H3' . 34874 1 981 . 2 . 2 11 11 DA H4' H 1 4.392 0.02 . 1 . . . . B 11 DA H4' . 34874 1 982 . 2 . 2 11 11 DA H8 H 1 8.068 0.02 . 1 . . . . B 11 DA H8 . 34874 1 983 . 2 . 2 12 12 DG H1 H 1 12.918 0.02 . 1 . . . . B 12 DG H1 . 34874 1 984 . 2 . 2 12 12 DG H1' H 1 5.824 0.02 . 1 . . . . B 12 DG H1' . 34874 1 985 . 2 . 2 12 12 DG H2' H 1 2.532 0.02 . 2 . . . . B 12 DG H2' . 34874 1 986 . 2 . 2 12 12 DG H2'' H 1 2.655 0.02 . 2 . . . . B 12 DG H2'' . 34874 1 987 . 2 . 2 12 12 DG H3' H 1 4.983 0.02 . 1 . . . . B 12 DG H3' . 34874 1 988 . 2 . 2 12 12 DG H4' H 1 4.349 0.02 . 1 . . . . B 12 DG H4' . 34874 1 989 . 2 . 2 12 12 DG H8 H 1 7.673 0.02 . 1 . . . . B 12 DG H8 . 34874 1 990 . 2 . 2 13 13 DC H1' H 1 6.035 0.02 . 1 . . . . B 13 DC H1' . 34874 1 991 . 2 . 2 13 13 DC H2' H 1 2.132 0.02 . 2 . . . . B 13 DC H2' . 34874 1 992 . 2 . 2 13 13 DC H2'' H 1 2.466 0.02 . 2 . . . . B 13 DC H2'' . 34874 1 993 . 2 . 2 13 13 DC H3' H 1 4.804 0.02 . 1 . . . . B 13 DC H3' . 34874 1 994 . 2 . 2 13 13 DC H4' H 1 4.201 0.02 . 1 . . . . B 13 DC H4' . 34874 1 995 . 2 . 2 13 13 DC H5 H 1 5.323 0.02 . 1 . . . . B 13 DC H5 . 34874 1 996 . 2 . 2 13 13 DC H6 H 1 7.393 0.02 . 1 . . . . B 13 DC H6 . 34874 1 997 . 2 . 2 13 13 DC H41 H 1 6.479 0.02 . 2 . . . . B 13 DC H41 . 34874 1 998 . 2 . 2 13 13 DC H42 H 1 8.236 0.02 . 2 . . . . B 13 DC H42 . 34874 1 999 . 2 . 2 14 14 DC H1' H 1 6.252 0.02 . 1 . . . . B 14 DC H1' . 34874 1 1000 . 2 . 2 14 14 DC H2' H 1 2.265 0.02 . 2 . . . . B 14 DC H2' . 34874 1 1001 . 2 . 2 14 14 DC H2'' H 1 2.277 0.02 . 2 . . . . B 14 DC H2'' . 34874 1 1002 . 2 . 2 14 14 DC H3' H 1 4.556 0.02 . 1 . . . . B 14 DC H3' . 34874 1 1003 . 2 . 2 14 14 DC H4' H 1 4.047 0.02 . 1 . . . . B 14 DC H4' . 34874 1 1004 . 2 . 2 14 14 DC H5 H 1 5.740 0.02 . 1 . . . . B 14 DC H5 . 34874 1 1005 . 2 . 2 14 14 DC H5' H 1 4.145 0.02 . 2 . . . . B 14 DC H5' . 34874 1 1006 . 2 . 2 14 14 DC H6 H 1 7.648 0.02 . 1 . . . . B 14 DC H6 . 34874 1 1007 . 3 . 3 1 1 DG H1' H 1 5.720 0.02 . 1 . . . . C 15 DG H1' . 34874 1 1008 . 3 . 3 1 1 DG H2' H 1 2.528 0.02 . 2 . . . . C 15 DG H2' . 34874 1 1009 . 3 . 3 1 1 DG H2'' H 1 2.699 0.02 . 2 . . . . C 15 DG H2'' . 34874 1 1010 . 3 . 3 1 1 DG H3' H 1 4.826 0.02 . 1 . . . . C 15 DG H3' . 34874 1 1011 . 3 . 3 1 1 DG H4' H 1 4.189 0.02 . 1 . . . . C 15 DG H4' . 34874 1 1012 . 3 . 3 1 1 DG H8 H 1 7.863 0.02 . 1 . . . . C 15 DG H8 . 34874 1 1013 . 3 . 3 2 2 DG H1 H 1 13.059 0.02 . 1 . . . . C 16 DG H1 . 34874 1 1014 . 3 . 3 2 2 DG H1' H 1 5.967 0.02 . 1 . . . . C 16 DG H1' . 34874 1 1015 . 3 . 3 2 2 DG H2' H 1 2.674 0.02 . 2 . . . . C 16 DG H2' . 34874 1 1016 . 3 . 3 2 2 DG H2'' H 1 2.733 0.02 . 2 . . . . C 16 DG H2'' . 34874 1 1017 . 3 . 3 2 2 DG H3' H 1 4.994 0.02 . 1 . . . . C 16 DG H3' . 34874 1 1018 . 3 . 3 2 2 DG H4' H 1 4.416 0.02 . 1 . . . . C 16 DG H4' . 34874 1 1019 . 3 . 3 2 2 DG H8 H 1 7.849 0.02 . 1 . . . . C 16 DG H8 . 34874 1 1020 . 3 . 3 3 3 DC H1' H 1 6.014 0.02 . 1 . . . . C 17 DC H1' . 34874 1 1021 . 3 . 3 3 3 DC H2' H 1 2.087 0.02 . 2 . . . . C 17 DC H2' . 34874 1 1022 . 3 . 3 3 3 DC H2'' H 1 2.523 0.02 . 2 . . . . C 17 DC H2'' . 34874 1 1023 . 3 . 3 3 3 DC H3' H 1 4.749 0.02 . 1 . . . . C 17 DC H3' . 34874 1 1024 . 3 . 3 3 3 DC H4' H 1 4.250 0.02 . 1 . . . . C 17 DC H4' . 34874 1 1025 . 3 . 3 3 3 DC H5 H 1 5.305 0.02 . 1 . . . . C 17 DC H5 . 34874 1 1026 . 3 . 3 3 3 DC H6 H 1 7.405 0.02 . 1 . . . . C 17 DC H6 . 34874 1 1027 . 3 . 3 3 3 DC H41 H 1 6.545 0.02 . 2 . . . . C 17 DC H41 . 34874 1 1028 . 3 . 3 3 3 DC H42 H 1 8.120 0.02 . 2 . . . . C 17 DC H42 . 34874 1 1029 . 3 . 3 4 4 DT H1' H 1 6.038 0.02 . 1 . . . . C 18 DT H1' . 34874 1 1030 . 3 . 3 4 4 DT H2' H 1 2.142 0.02 . 2 . . . . C 18 DT H2' . 34874 1 1031 . 3 . 3 4 4 DT H2'' H 1 2.477 0.02 . 2 . . . . C 18 DT H2'' . 34874 1 1032 . 3 . 3 4 4 DT H3' H 1 4.916 0.02 . 1 . . . . C 18 DT H3' . 34874 1 1033 . 3 . 3 4 4 DT H4' H 1 4.165 0.02 . 1 . . . . C 18 DT H4' . 34874 1 1034 . 3 . 3 4 4 DT H6 H 1 7.401 0.02 . 1 . . . . C 18 DT H6 . 34874 1 1035 . 3 . 3 4 4 DT H71 H 1 1.564 0.02 . 1 . . . . C 18 DT H71 . 34874 1 1036 . 3 . 3 4 4 DT H72 H 1 1.564 0.02 . 1 . . . . C 18 DT H72 . 34874 1 1037 . 3 . 3 4 4 DT H73 H 1 1.564 0.02 . 1 . . . . C 18 DT H73 . 34874 1 1038 . 3 . 3 5 5 DC H1' H 1 6.176 0.02 . 1 . . . . C 19 DC H1' . 34874 1 1039 . 3 . 3 5 5 DC H2' H 1 2.001 0.02 . 2 . . . . C 19 DC H2' . 34874 1 1040 . 3 . 3 5 5 DC H2'' H 1 2.093 0.02 . 2 . . . . C 19 DC H2'' . 34874 1 1041 . 3 . 3 5 5 DC H3' H 1 4.914 0.02 . 1 . . . . C 19 DC H3' . 34874 1 1042 . 3 . 3 5 5 DC H4' H 1 4.206 0.02 . 1 . . . . C 19 DC H4' . 34874 1 1043 . 3 . 3 5 5 DC H5 H 1 5.640 0.02 . 1 . . . . C 19 DC H5 . 34874 1 1044 . 3 . 3 5 5 DC H6 H 1 7.483 0.02 . 1 . . . . C 19 DC H6 . 34874 1 1045 . 3 . 3 5 5 DC H41 H 1 6.835 0.02 . 2 . . . . C 19 DC H41 . 34874 1 1046 . 3 . 3 5 5 DC H42 H 1 8.055 0.02 . 2 . . . . C 19 DC H42 . 34874 1 1047 . 3 . 3 6 6 DA H1' H 1 6.098 0.02 . 1 . . . . C 20 DA H1' . 34874 1 1048 . 3 . 3 6 6 DA H2 H 1 7.477 0.02 . 1 . . . . C 20 DA H2 . 34874 1 1049 . 3 . 3 6 6 DA H2' H 1 2.866 0.02 . 2 . . . . C 20 DA H2' . 34874 1 1050 . 3 . 3 6 6 DA H2'' H 1 3.016 0.02 . 2 . . . . C 20 DA H2'' . 34874 1 1051 . 3 . 3 6 6 DA H3' H 1 5.025 0.02 . 1 . . . . C 20 DA H3' . 34874 1 1052 . 3 . 3 6 6 DA H4' H 1 4.141 0.02 . 1 . . . . C 20 DA H4' . 34874 1 1053 . 3 . 3 6 6 DA H8 H 1 8.449 0.02 . 1 . . . . C 20 DA H8 . 34874 1 1054 . 3 . 3 7 7 DA H1' H 1 6.124 0.02 . 1 . . . . C 21 DA H1' . 34874 1 1055 . 3 . 3 7 7 DA H2 H 1 7.899 0.02 . 1 . . . . C 21 DA H2 . 34874 1 1056 . 3 . 3 7 7 DA H2' H 1 2.546 0.02 . 2 . . . . C 21 DA H2' . 34874 1 1057 . 3 . 3 7 7 DA H2'' H 1 2.866 0.02 . 2 . . . . C 21 DA H2'' . 34874 1 1058 . 3 . 3 7 7 DA H3' H 1 4.968 0.02 . 1 . . . . C 21 DA H3' . 34874 1 1059 . 3 . 3 7 7 DA H4' H 1 4.134 0.02 . 1 . . . . C 21 DA H4' . 34874 1 1060 . 3 . 3 7 7 DA H8 H 1 8.171 0.02 . 1 . . . . C 21 DA H8 . 34874 1 1061 . 3 . 3 8 8 DT H1' H 1 5.630 0.02 . 1 . . . . C 22 DT H1' . 34874 1 1062 . 3 . 3 8 8 DT H2' H 1 1.841 0.02 . 2 . . . . C 22 DT H2' . 34874 1 1063 . 3 . 3 8 8 DT H2'' H 1 2.204 0.02 . 2 . . . . C 22 DT H2'' . 34874 1 1064 . 3 . 3 8 8 DT H3' H 1 4.751 0.02 . 1 . . . . C 22 DT H3' . 34874 1 1065 . 3 . 3 8 8 DT H4' H 1 3.859 0.02 . 1 . . . . C 22 DT H4' . 34874 1 1066 . 3 . 3 8 8 DT H6 H 1 7.048 0.02 . 1 . . . . C 22 DT H6 . 34874 1 1067 . 3 . 3 8 8 DT H71 H 1 1.473 0.02 . 1 . . . . C 22 DT H71 . 34874 1 1068 . 3 . 3 8 8 DT H72 H 1 1.473 0.02 . 1 . . . . C 22 DT H72 . 34874 1 1069 . 3 . 3 8 8 DT H73 H 1 1.473 0.02 . 1 . . . . C 22 DT H73 . 34874 1 1070 . 3 . 3 9 9 DA H1' H 1 6.130 0.02 . 1 . . . . C 23 DA H1' . 34874 1 1071 . 3 . 3 9 9 DA H2 H 1 7.579 0.02 . 1 . . . . C 23 DA H2 . 34874 1 1072 . 3 . 3 9 9 DA H2' H 1 2.567 0.02 . 2 . . . . C 23 DA H2' . 34874 1 1073 . 3 . 3 9 9 DA H2'' H 1 2.810 0.02 . 2 . . . . C 23 DA H2'' . 34874 1 1074 . 3 . 3 9 9 DA H3' H 1 4.925 0.02 . 1 . . . . C 23 DA H3' . 34874 1 1075 . 3 . 3 9 9 DA H8 H 1 8.208 0.02 . 1 . . . . C 23 DA H8 . 34874 1 1076 . 3 . 3 10 10 DT H1' H 1 5.975 0.02 . 1 . . . . C 24 DT H1' . 34874 1 1077 . 3 . 3 10 10 DT H2' H 1 2.026 0.02 . 2 . . . . C 24 DT H2' . 34874 1 1078 . 3 . 3 10 10 DT H2'' H 1 2.402 0.02 . 2 . . . . C 24 DT H2'' . 34874 1 1079 . 3 . 3 10 10 DT H3' H 1 4.842 0.02 . 1 . . . . C 24 DT H3' . 34874 1 1080 . 3 . 3 10 10 DT H4' H 1 4.170 0.02 . 1 . . . . C 24 DT H4' . 34874 1 1081 . 3 . 3 10 10 DT H6 H 1 7.264 0.02 . 1 . . . . C 24 DT H6 . 34874 1 1082 . 3 . 3 10 10 DT H71 H 1 1.391 0.02 . 1 . . . . C 24 DT H71 . 34874 1 1083 . 3 . 3 10 10 DT H72 H 1 1.391 0.02 . 1 . . . . C 24 DT H72 . 34874 1 1084 . 3 . 3 10 10 DT H73 H 1 1.391 0.02 . 1 . . . . C 24 DT H73 . 34874 1 1085 . 3 . 3 11 11 DC H1' H 1 5.708 0.02 . 1 . . . . C 25 DC H1' . 34874 1 1086 . 3 . 3 11 11 DC H2' H 1 2.024 0.02 . 2 . . . . C 25 DC H2' . 34874 1 1087 . 3 . 3 11 11 DC H2'' H 1 2.372 0.02 . 2 . . . . C 25 DC H2'' . 34874 1 1088 . 3 . 3 11 11 DC H3' H 1 4.832 0.02 . 1 . . . . C 25 DC H3' . 34874 1 1089 . 3 . 3 11 11 DC H4' H 1 4.113 0.02 . 1 . . . . C 25 DC H4' . 34874 1 1090 . 3 . 3 11 11 DC H5 H 1 5.688 0.02 . 1 . . . . C 25 DC H5 . 34874 1 1091 . 3 . 3 11 11 DC H6 H 1 7.490 0.02 . 1 . . . . C 25 DC H6 . 34874 1 1092 . 3 . 3 11 11 DC H41 H 1 6.962 0.02 . 2 . . . . C 25 DC H41 . 34874 1 1093 . 3 . 3 11 11 DC H42 H 1 8.518 0.02 . 2 . . . . C 25 DC H42 . 34874 1 1094 . 3 . 3 12 12 DG H1' H 1 6.158 0.02 . 1 . . . . C 26 DG H1' . 34874 1 1095 . 3 . 3 12 12 DG H2' H 1 2.358 0.02 . 2 . . . . C 26 DG H2' . 34874 1 1096 . 3 . 3 12 12 DG H2'' H 1 2.605 0.02 . 2 . . . . C 26 DG H2'' . 34874 1 1097 . 3 . 3 12 12 DG H3' H 1 4.682 0.02 . 1 . . . . C 26 DG H3' . 34874 1 1098 . 3 . 3 12 12 DG H4' H 1 4.184 0.02 . 1 . . . . C 26 DG H4' . 34874 1 1099 . 3 . 3 12 12 DG H8 H 1 7.940 0.02 . 1 . . . . C 26 DG H8 . 34874 1 stop_ save_