data_51661 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51661 _Entry.Title ; 1H, 13C, and 15N resonance assignments of SarA monomer from Staphylococcus aureus in complex with DNA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-10-12 _Entry.Accession_date 2022-10-12 _Entry.Last_release_date 2022-10-13 _Entry.Original_release_date 2022-10-13 _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 _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 Dihong Fu . . . . 51661 2 Bin Xia . . . . 51661 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51661 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 390 51661 '15N chemical shifts' 116 51661 '1H chemical shifts' 1104 51661 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 . . 2023-12-19 . original BMRB . 51661 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51661 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37405582 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 13C, and 15N resonance assignments of SarA monomer from Staphylococcus aureus in complex with DNA ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 17 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 193 _Citation.Page_last 197 _Citation.Year 2023 _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 Dihong Fu D. . . . 51661 1 2 Bo Duan B. . . . 51661 1 3 Xianzhi Dong X. . . . 51661 1 4 Bin Xia B. . . . 51661 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Protein resonance assignment, NMR, SarA, DNA binding' 51661 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51661 _Assembly.ID 1 _Assembly.Name SarADN19-Seq4 _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 SarADN19 1 $entity_1 . . yes native no no . . . 51661 1 2 'Seq4, chain A' 2 $entity_2 . . yes native no no . . . 51661 1 3 'Seq4, chain B' 3 $entity_3 . . yes native no no . . . 51661 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51661 _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 . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MDKLKSLIKKEFSISFEEFA VLTYISENKEKEYYLKDIIN HLNYKQPQVVKAVKILSQED YFDKKRNEHDQRTVLILVNA QQRKKIESLLSRVNKRITEA NNEIELLEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; 19,M 20,D 21,K ...... 130,H 131,H 132,H ; _Entity.Polymer_author_seq_details ; The first Met residue is artificially added at the N-terminus of the recombinant protein, L125-H132is artificially added at the C-terminus of the recombinant protein. D2-L124 is the remainder based on Uniprot Q2G2U9. ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 114 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'transcription regulator' 51661 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 19 MET . 51661 1 2 20 ASP . 51661 1 3 21 LYS . 51661 1 4 22 LEU . 51661 1 5 23 LYS . 51661 1 6 24 SER . 51661 1 7 25 LEU . 51661 1 8 26 ILE . 51661 1 9 27 LYS . 51661 1 10 28 LYS . 51661 1 11 29 GLU . 51661 1 12 30 PHE . 51661 1 13 31 SER . 51661 1 14 32 ILE . 51661 1 15 33 SER . 51661 1 16 34 PHE . 51661 1 17 35 GLU . 51661 1 18 36 GLU . 51661 1 19 37 PHE . 51661 1 20 38 ALA . 51661 1 21 39 VAL . 51661 1 22 40 LEU . 51661 1 23 41 THR . 51661 1 24 42 TYR . 51661 1 25 43 ILE . 51661 1 26 44 SER . 51661 1 27 45 GLU . 51661 1 28 46 ASN . 51661 1 29 47 LYS . 51661 1 30 48 GLU . 51661 1 31 49 LYS . 51661 1 32 50 GLU . 51661 1 33 51 TYR . 51661 1 34 52 TYR . 51661 1 35 53 LEU . 51661 1 36 54 LYS . 51661 1 37 55 ASP . 51661 1 38 56 ILE . 51661 1 39 57 ILE . 51661 1 40 58 ASN . 51661 1 41 59 HIS . 51661 1 42 60 LEU . 51661 1 43 61 ASN . 51661 1 44 62 TYR . 51661 1 45 63 LYS . 51661 1 46 64 GLN . 51661 1 47 65 PRO . 51661 1 48 66 GLN . 51661 1 49 67 VAL . 51661 1 50 68 VAL . 51661 1 51 69 LYS . 51661 1 52 70 ALA . 51661 1 53 71 VAL . 51661 1 54 72 LYS . 51661 1 55 73 ILE . 51661 1 56 74 LEU . 51661 1 57 75 SER . 51661 1 58 76 GLN . 51661 1 59 77 GLU . 51661 1 60 78 ASP . 51661 1 61 79 TYR . 51661 1 62 80 PHE . 51661 1 63 81 ASP . 51661 1 64 82 LYS . 51661 1 65 83 LYS . 51661 1 66 84 ARG . 51661 1 67 85 ASN . 51661 1 68 86 GLU . 51661 1 69 87 HIS . 51661 1 70 88 ASP . 51661 1 71 89 GLN . 51661 1 72 90 ARG . 51661 1 73 91 THR . 51661 1 74 92 VAL . 51661 1 75 93 LEU . 51661 1 76 94 ILE . 51661 1 77 95 LEU . 51661 1 78 96 VAL . 51661 1 79 97 ASN . 51661 1 80 98 ALA . 51661 1 81 99 GLN . 51661 1 82 100 GLN . 51661 1 83 101 ARG . 51661 1 84 102 LYS . 51661 1 85 103 LYS . 51661 1 86 104 ILE . 51661 1 87 105 GLU . 51661 1 88 106 SER . 51661 1 89 107 LEU . 51661 1 90 108 LEU . 51661 1 91 109 SER . 51661 1 92 110 ARG . 51661 1 93 111 VAL . 51661 1 94 112 ASN . 51661 1 95 113 LYS . 51661 1 96 114 ARG . 51661 1 97 115 ILE . 51661 1 98 116 THR . 51661 1 99 117 GLU . 51661 1 100 118 ALA . 51661 1 101 119 ASN . 51661 1 102 120 ASN . 51661 1 103 121 GLU . 51661 1 104 122 ILE . 51661 1 105 123 GLU . 51661 1 106 124 LEU . 51661 1 107 125 LEU . 51661 1 108 126 GLU . 51661 1 109 127 HIS . 51661 1 110 128 HIS . 51661 1 111 129 HIS . 51661 1 112 130 HIS . 51661 1 113 131 HIS . 51661 1 114 132 HIS . 51661 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 51661 1 . ASP 2 2 51661 1 . LYS 3 3 51661 1 . LEU 4 4 51661 1 . LYS 5 5 51661 1 . SER 6 6 51661 1 . LEU 7 7 51661 1 . ILE 8 8 51661 1 . LYS 9 9 51661 1 . LYS 10 10 51661 1 . GLU 11 11 51661 1 . PHE 12 12 51661 1 . SER 13 13 51661 1 . ILE 14 14 51661 1 . SER 15 15 51661 1 . PHE 16 16 51661 1 . GLU 17 17 51661 1 . GLU 18 18 51661 1 . PHE 19 19 51661 1 . ALA 20 20 51661 1 . VAL 21 21 51661 1 . LEU 22 22 51661 1 . THR 23 23 51661 1 . TYR 24 24 51661 1 . ILE 25 25 51661 1 . SER 26 26 51661 1 . GLU 27 27 51661 1 . ASN 28 28 51661 1 . LYS 29 29 51661 1 . GLU 30 30 51661 1 . LYS 31 31 51661 1 . GLU 32 32 51661 1 . TYR 33 33 51661 1 . TYR 34 34 51661 1 . LEU 35 35 51661 1 . LYS 36 36 51661 1 . ASP 37 37 51661 1 . ILE 38 38 51661 1 . ILE 39 39 51661 1 . ASN 40 40 51661 1 . HIS 41 41 51661 1 . LEU 42 42 51661 1 . ASN 43 43 51661 1 . TYR 44 44 51661 1 . LYS 45 45 51661 1 . GLN 46 46 51661 1 . PRO 47 47 51661 1 . GLN 48 48 51661 1 . VAL 49 49 51661 1 . VAL 50 50 51661 1 . LYS 51 51 51661 1 . ALA 52 52 51661 1 . VAL 53 53 51661 1 . LYS 54 54 51661 1 . ILE 55 55 51661 1 . LEU 56 56 51661 1 . SER 57 57 51661 1 . GLN 58 58 51661 1 . GLU 59 59 51661 1 . ASP 60 60 51661 1 . TYR 61 61 51661 1 . PHE 62 62 51661 1 . ASP 63 63 51661 1 . LYS 64 64 51661 1 . LYS 65 65 51661 1 . ARG 66 66 51661 1 . ASN 67 67 51661 1 . GLU 68 68 51661 1 . HIS 69 69 51661 1 . ASP 70 70 51661 1 . GLN 71 71 51661 1 . ARG 72 72 51661 1 . THR 73 73 51661 1 . VAL 74 74 51661 1 . LEU 75 75 51661 1 . ILE 76 76 51661 1 . LEU 77 77 51661 1 . VAL 78 78 51661 1 . ASN 79 79 51661 1 . ALA 80 80 51661 1 . GLN 81 81 51661 1 . GLN 82 82 51661 1 . ARG 83 83 51661 1 . LYS 84 84 51661 1 . LYS 85 85 51661 1 . ILE 86 86 51661 1 . GLU 87 87 51661 1 . SER 88 88 51661 1 . LEU 89 89 51661 1 . LEU 90 90 51661 1 . SER 91 91 51661 1 . ARG 92 92 51661 1 . VAL 93 93 51661 1 . ASN 94 94 51661 1 . LYS 95 95 51661 1 . ARG 96 96 51661 1 . ILE 97 97 51661 1 . THR 98 98 51661 1 . GLU 99 99 51661 1 . ALA 100 100 51661 1 . ASN 101 101 51661 1 . ASN 102 102 51661 1 . GLU 103 103 51661 1 . ILE 104 104 51661 1 . GLU 105 105 51661 1 . LEU 106 106 51661 1 . LEU 107 107 51661 1 . GLU 108 108 51661 1 . HIS 109 109 51661 1 . HIS 110 110 51661 1 . HIS 111 111 51661 1 . HIS 112 112 51661 1 . HIS 113 113 51661 1 . HIS 114 114 51661 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 51661 _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 . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; CGCGAATATATATTCGCG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 18 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 1 DC . 51661 2 2 2 DG . 51661 2 3 3 DC . 51661 2 4 4 DG . 51661 2 5 5 DA . 51661 2 6 6 DA . 51661 2 7 7 DT . 51661 2 8 8 DA . 51661 2 9 9 DT . 51661 2 10 10 DA . 51661 2 11 11 DT . 51661 2 12 12 DA . 51661 2 13 13 DT . 51661 2 14 14 DT . 51661 2 15 15 DC . 51661 2 16 16 DG . 51661 2 17 17 DC . 51661 2 18 18 DG . 51661 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 51661 2 . DG 2 2 51661 2 . DC 3 3 51661 2 . DG 4 4 51661 2 . DA 5 5 51661 2 . DA 6 6 51661 2 . DT 7 7 51661 2 . DA 8 8 51661 2 . DT 9 9 51661 2 . DA 10 10 51661 2 . DT 11 11 51661 2 . DA 12 12 51661 2 . DT 13 13 51661 2 . DT 14 14 51661 2 . DC 15 15 51661 2 . DG 16 16 51661 2 . DC 17 17 51661 2 . DG 18 18 51661 2 stop_ save_ save_entity_3 _Entity.Sf_category entity _Entity.Sf_framecode entity_3 _Entity.Entry_ID 51661 _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 . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; CGCGAATATATATTCGCG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 18 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 1 DC . 51661 3 2 2 DG . 51661 3 3 3 DC . 51661 3 4 4 DG . 51661 3 5 5 DA . 51661 3 6 6 DA . 51661 3 7 7 DT . 51661 3 8 8 DA . 51661 3 9 9 DT . 51661 3 10 10 DA . 51661 3 11 11 DT . 51661 3 12 12 DA . 51661 3 13 13 DT . 51661 3 14 14 DT . 51661 3 15 15 DC . 51661 3 16 16 DG . 51661 3 17 17 DC . 51661 3 18 18 DG . 51661 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 . DC 1 1 51661 3 . DG 2 2 51661 3 . DC 3 3 51661 3 . DG 4 4 51661 3 . DA 5 5 51661 3 . DA 6 6 51661 3 . DT 7 7 51661 3 . DA 8 8 51661 3 . DT 9 9 51661 3 . DA 10 10 51661 3 . DT 11 11 51661 3 . DA 12 12 51661 3 . DT 13 13 51661 3 . DT 14 14 51661 3 . DC 15 15 51661 3 . DG 16 16 51661 3 . DC 17 17 51661 3 . DG 18 18 51661 3 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51661 _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 . 1280 organism . 'Staphylococcus aureus' 'Staphylococcus aureus' . . Bacteria . Staphylococcus aureus . . . . . . . . . . . sarA . 51661 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51661 _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' . . . Escherichia coli 'Escherichia coli BL21(DE3)' . . plasmid . . pET-21a . . . 51661 1 2 2 $entity_2 . 'obtained from a vendor' . . . . . . . . . plasmid . . . . . . 51661 1 3 3 $entity_3 . 'obtained from a vendor' . . . . . . . . . plasmid . . . . . . 51661 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51661 _Sample.ID 1 _Sample.Name SarADN19-Seq4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 SarADN19 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.25 . . mM . . . . 51661 1 2 Seq4 'natural abundance' . . 2 $entity_2 . . 2.5 . . mM . . . . 51661 1 3 Seq4 'natural abundance' . . 3 $entity_3 . . 2.5 . . mM . . . . 51661 1 4 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 51661 1 5 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 51661 1 6 NaN3 'natural abundance' . . . . . . 0.03 . . % . . . . 51661 1 7 'Protease inhibitor cocktail' 'natural abundance' . . . . . . 2 . . % . . . . 51661 1 8 DSS 'natural abundance' . . . . . . 0.01 . . % . . . . 51661 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 51661 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'sample conditions 1' _Sample_condition_list.Details ; 10 mM sodium phosphate buffer (pH 7.0) with 95% H2O/5% D2O, 10 mM NaCl, 0.03% NaN3, 0.01% DSS and 5% tablet of EDTA-free protease inhibitor cocktail. ; 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' 20 . mM 51661 1 pH 7 . pH 51661 1 pressure 1 . atm 51661 1 temperature 308 . K 51661 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51661 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51661 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51661 _Software.ID 2 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51661 2 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 51661 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance 500 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength '500 MHz' save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 51661 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'Bruker Avance 600 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength '600 MHz' save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 51661 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name 'Bruker Avance 950 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength '950 MHz' save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51661 _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 no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51661 1 2 '2D 1H-13C HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 51661 1 3 '3D CBCACONH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51661 1 4 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51661 1 5 '3D HN(CO)CA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51661 1 6 '3D HCCH-COSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51661 1 7 '3D CCH-TOCSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51661 1 8 '3D HBHA(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51661 1 9 '3D 1H-15N NOESY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 51661 1 10 '3D 1H-13C NOESY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 51661 1 11 '2D F1, F2-15N/13C-filtered 1H-1H NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 51661 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 51661 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name reference _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 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.25144952 . . . . . 51661 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 51661 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.10132905 . . . . . 51661 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 51661 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name ppm _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 . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 51661 1 2 '2D 1H-13C HSQC' . . . 51661 1 3 '3D CBCACONH' . . . 51661 1 4 '3D HNCA' . . . 51661 1 5 '3D HN(CO)CA' . . . 51661 1 6 '3D HCCH-COSY' . . . 51661 1 7 '3D CCH-TOCSY' . . . 51661 1 8 '3D HBHA(CO)NH' . . . 51661 1 9 '3D 1H-15N NOESY' . . . 51661 1 10 '3D 1H-13C NOESY' . . . 51661 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51661 1 2 $software_2 . . 51661 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 HA H 1 3.982 0.03 . 1 . . . . . 19 M HA . 51661 1 2 . 1 . 1 1 1 MET HB2 H 1 2.096 0.03 . 2 . . . . . 19 M HB1 . 51661 1 3 . 1 . 1 1 1 MET HB3 H 1 2.096 0.03 . 2 . . . . . 19 M HB2 . 51661 1 4 . 1 . 1 1 1 MET HG2 H 1 2.556 0.03 . 2 . . . . . 19 M HG2 . 51661 1 5 . 1 . 1 1 1 MET CA C 13 55.445 0.33 . 1 . . . . . 19 M CA . 51661 1 6 . 1 . 1 1 1 MET CB C 13 33.966 0.33 . 1 . . . . . 19 M CB . 51661 1 7 . 1 . 1 1 1 MET CG C 13 31.093 0.33 . 1 . . . . . 19 M CG . 51661 1 8 . 1 . 1 3 3 LYS H H 1 7.252 0.03 . 1 . . . . . 21 K HN . 51661 1 9 . 1 . 1 3 3 LYS HA H 1 4.112 0.03 . 1 . . . . . 21 K HA . 51661 1 10 . 1 . 1 3 3 LYS HB2 H 1 1.882 0.03 . 2 . . . . . 21 K HB2 . 51661 1 11 . 1 . 1 3 3 LYS HG2 H 1 1.655 0.03 . 2 . . . . . 21 K HG1 . 51661 1 12 . 1 . 1 3 3 LYS HG3 H 1 1.533 0.03 . 2 . . . . . 21 K HG2 . 51661 1 13 . 1 . 1 3 3 LYS HD2 H 1 1.740 0.03 . 2 . . . . . 21 K HD2 . 51661 1 14 . 1 . 1 3 3 LYS HE2 H 1 3.018 0.03 . 2 . . . . . 21 K HE2 . 51661 1 15 . 1 . 1 3 3 LYS CA C 13 58.890 0.33 . 1 . . . . . 21 K CA . 51661 1 16 . 1 . 1 3 3 LYS CB C 13 32.705 0.33 . 1 . . . . . 21 K CB . 51661 1 17 . 1 . 1 3 3 LYS CG C 13 25.155 0.33 . 1 . . . . . 21 K CG . 51661 1 18 . 1 . 1 3 3 LYS CD C 13 29.566 0.33 . 1 . . . . . 21 K CD . 51661 1 19 . 1 . 1 3 3 LYS CE C 13 42.180 0.33 . 1 . . . . . 21 K CE . 51661 1 20 . 1 . 1 4 4 LEU H H 1 8.313 0.03 . 1 . . . . . 22 L HN . 51661 1 21 . 1 . 1 4 4 LEU HA H 1 4.175 0.03 . 1 . . . . . 22 L HA . 51661 1 22 . 1 . 1 4 4 LEU HB2 H 1 1.740 0.03 . 2 . . . . . 22 L HB1 . 51661 1 23 . 1 . 1 4 4 LEU HB3 H 1 1.776 0.03 . 2 . . . . . 22 L HB2 . 51661 1 24 . 1 . 1 4 4 LEU HG H 1 1.669 0.03 . 1 . . . . . 22 L HG . 51661 1 25 . 1 . 1 4 4 LEU HD11 H 1 0.983 0.03 . 2 . . . . . 22 L HD11 . 51661 1 26 . 1 . 1 4 4 LEU HD12 H 1 0.983 0.03 . 2 . . . . . 22 L HD11 . 51661 1 27 . 1 . 1 4 4 LEU HD13 H 1 0.983 0.03 . 2 . . . . . 22 L HD11 . 51661 1 28 . 1 . 1 4 4 LEU HD21 H 1 0.944 0.03 . 2 . . . . . 22 L HD21 . 51661 1 29 . 1 . 1 4 4 LEU HD22 H 1 0.944 0.03 . 2 . . . . . 22 L HD21 . 51661 1 30 . 1 . 1 4 4 LEU HD23 H 1 0.944 0.03 . 2 . . . . . 22 L HD21 . 51661 1 31 . 1 . 1 4 4 LEU CA C 13 57.535 0.33 . 1 . . . . . 22 L CA . 51661 1 32 . 1 . 1 4 4 LEU CB C 13 41.741 0.33 . 1 . . . . . 22 L CB . 51661 1 33 . 1 . 1 4 4 LEU CG C 13 27.109 0.33 . 1 . . . . . 22 L CG . 51661 1 34 . 1 . 1 4 4 LEU CD1 C 13 24.630 0.33 . 1 . . . . . 22 L CD1 . 51661 1 35 . 1 . 1 4 4 LEU CD2 C 13 24.630 0.33 . 1 . . . . . 22 L CD2 . 51661 1 36 . 1 . 1 4 4 LEU N N 15 121.290 0.39 . 1 . . . . . 22 L N . 51661 1 37 . 1 . 1 5 5 LYS H H 1 8.072 0.03 . 1 . . . . . 23 K HN . 51661 1 38 . 1 . 1 5 5 LYS HA H 1 3.816 0.03 . 1 . . . . . 23 K HA . 51661 1 39 . 1 . 1 5 5 LYS HB2 H 1 1.771 0.03 . 2 . . . . . 23 K HB1 . 51661 1 40 . 1 . 1 5 5 LYS HB3 H 1 1.843 0.03 . 2 . . . . . 23 K HB2 . 51661 1 41 . 1 . 1 5 5 LYS HG2 H 1 0.978 0.03 . 2 . . . . . 23 K HG1 . 51661 1 42 . 1 . 1 5 5 LYS HG3 H 1 1.318 0.03 . 2 . . . . . 23 K HG2 . 51661 1 43 . 1 . 1 5 5 LYS HD2 H 1 1.623 0.03 . 2 . . . . . 23 K HD1 . 51661 1 44 . 1 . 1 5 5 LYS HD3 H 1 1.658 0.03 . 2 . . . . . 23 K HD2 . 51661 1 45 . 1 . 1 5 5 LYS HE2 H 1 2.695 0.03 . 2 . . . . . 23 K HE1 . 51661 1 46 . 1 . 1 5 5 LYS HE3 H 1 2.774 0.03 . 2 . . . . . 23 K HE2 . 51661 1 47 . 1 . 1 5 5 LYS CA C 13 60.399 0.33 . 1 . . . . . 23 K CA . 51661 1 48 . 1 . 1 5 5 LYS CB C 13 32.431 0.33 . 1 . . . . . 23 K CB . 51661 1 49 . 1 . 1 5 5 LYS CG C 13 25.630 0.33 . 1 . . . . . 23 K CG . 51661 1 50 . 1 . 1 5 5 LYS CD C 13 29.617 0.33 . 1 . . . . . 23 K CD . 51661 1 51 . 1 . 1 5 5 LYS CE C 13 41.978 0.33 . 1 . . . . . 23 K CE . 51661 1 52 . 1 . 1 5 5 LYS N N 15 118.387 0.39 . 1 . . . . . 23 K N . 51661 1 53 . 1 . 1 6 6 SER H H 1 7.938 0.03 . 1 . . . . . 24 S HN . 51661 1 54 . 1 . 1 6 6 SER HA H 1 4.258 0.03 . 1 . . . . . 24 S HA . 51661 1 55 . 1 . 1 6 6 SER HB2 H 1 3.939 0.03 . 2 . . . . . 24 S HB1 . 51661 1 56 . 1 . 1 6 6 SER HB3 H 1 3.939 0.03 . 2 . . . . . 24 S HB2 . 51661 1 57 . 1 . 1 6 6 SER CA C 13 61.421 0.33 . 1 . . . . . 24 S CA . 51661 1 58 . 1 . 1 6 6 SER CB C 13 63.104 0.33 . 1 . . . . . 24 S CB . 51661 1 59 . 1 . 1 6 6 SER N N 15 113.444 0.39 . 1 . . . . . 24 S N . 51661 1 60 . 1 . 1 7 7 LEU H H 1 7.857 0.03 . 1 . . . . . 25 L HN . 51661 1 61 . 1 . 1 7 7 LEU HA H 1 4.151 0.03 . 1 . . . . . 25 L HA . 51661 1 62 . 1 . 1 7 7 LEU HB2 H 1 1.848 0.03 . 2 . . . . . 25 L HB1 . 51661 1 63 . 1 . 1 7 7 LEU HB3 H 1 1.848 0.03 . 2 . . . . . 25 L HB2 . 51661 1 64 . 1 . 1 7 7 LEU HG H 1 1.690 0.03 . 1 . . . . . 25 L HG . 51661 1 65 . 1 . 1 7 7 LEU HD11 H 1 0.818 0.03 . 2 . . . . . 25 L HD11 . 51661 1 66 . 1 . 1 7 7 LEU HD12 H 1 0.818 0.03 . 2 . . . . . 25 L HD11 . 51661 1 67 . 1 . 1 7 7 LEU HD13 H 1 0.818 0.03 . 2 . . . . . 25 L HD11 . 51661 1 68 . 1 . 1 7 7 LEU HD21 H 1 0.880 0.03 . 2 . . . . . 25 L HD21 . 51661 1 69 . 1 . 1 7 7 LEU HD22 H 1 0.880 0.03 . 2 . . . . . 25 L HD21 . 51661 1 70 . 1 . 1 7 7 LEU HD23 H 1 0.880 0.03 . 2 . . . . . 25 L HD21 . 51661 1 71 . 1 . 1 7 7 LEU CA C 13 58.851 0.33 . 1 . . . . . 25 L CA . 51661 1 72 . 1 . 1 7 7 LEU CB C 13 42.438 0.33 . 1 . . . . . 25 L CB . 51661 1 73 . 1 . 1 7 7 LEU CG C 13 27.202 0.33 . 1 . . . . . 25 L CG . 51661 1 74 . 1 . 1 7 7 LEU CD1 C 13 25.152 0.33 . 1 . . . . . 25 L CD1 . 51661 1 75 . 1 . 1 7 7 LEU CD2 C 13 25.603 0.33 . 1 . . . . . 25 L CD2 . 51661 1 76 . 1 . 1 7 7 LEU N N 15 124.030 0.39 . 1 . . . . . 25 L N . 51661 1 77 . 1 . 1 8 8 ILE H H 1 8.190 0.03 . 1 . . . . . 26 I HN . 51661 1 78 . 1 . 1 8 8 ILE HA H 1 3.978 0.03 . 1 . . . . . 26 I HA . 51661 1 79 . 1 . 1 8 8 ILE HB H 1 1.945 0.03 . 1 . . . . . 26 I HB . 51661 1 80 . 1 . 1 8 8 ILE HG12 H 1 1.316 0.03 . 1 . . . . . 26 I HG11 . 51661 1 81 . 1 . 1 8 8 ILE HG13 H 1 1.529 0.03 . 1 . . . . . 26 I HG12 . 51661 1 82 . 1 . 1 8 8 ILE HG21 H 1 0.806 0.03 . 1 . . . . . 26 I HG21 . 51661 1 83 . 1 . 1 8 8 ILE HG22 H 1 0.806 0.03 . 1 . . . . . 26 I HG21 . 51661 1 84 . 1 . 1 8 8 ILE HG23 H 1 0.806 0.03 . 1 . . . . . 26 I HG21 . 51661 1 85 . 1 . 1 8 8 ILE HD11 H 1 0.420 0.03 . 1 . . . . . 26 I HD11 . 51661 1 86 . 1 . 1 8 8 ILE HD12 H 1 0.420 0.03 . 1 . . . . . 26 I HD11 . 51661 1 87 . 1 . 1 8 8 ILE HD13 H 1 0.420 0.03 . 1 . . . . . 26 I HD11 . 51661 1 88 . 1 . 1 8 8 ILE CA C 13 64.703 0.33 . 1 . . . . . 26 I CA . 51661 1 89 . 1 . 1 8 8 ILE CB C 13 37.400 0.33 . 1 . . . . . 26 I CB . 51661 1 90 . 1 . 1 8 8 ILE CG1 C 13 27.941 0.33 . 1 . . . . . 26 I CG1 . 51661 1 91 . 1 . 1 8 8 ILE CG2 C 13 17.204 0.33 . 1 . . . . . 26 I CG2 . 51661 1 92 . 1 . 1 8 8 ILE CD1 C 13 12.294 0.33 . 1 . . . . . 26 I CD1 . 51661 1 93 . 1 . 1 8 8 ILE N N 15 117.140 0.39 . 1 . . . . . 26 I N . 51661 1 94 . 1 . 1 9 9 LYS H H 1 7.683 0.03 . 1 . . . . . 27 K HN . 51661 1 95 . 1 . 1 9 9 LYS HA H 1 4.228 0.03 . 1 . . . . . 27 K HA . 51661 1 96 . 1 . 1 9 9 LYS HB2 H 1 1.878 0.03 . 2 . . . . . 27 K HB1 . 51661 1 97 . 1 . 1 9 9 LYS HB3 H 1 1.970 0.03 . 2 . . . . . 27 K HB2 . 51661 1 98 . 1 . 1 9 9 LYS HG2 H 1 1.360 0.03 . 2 . . . . . 27 K HG1 . 51661 1 99 . 1 . 1 9 9 LYS HG3 H 1 1.458 0.03 . 2 . . . . . 27 K HG2 . 51661 1 100 . 1 . 1 9 9 LYS HD2 H 1 1.560 0.03 . 2 . . . . . 27 K HD1 . 51661 1 101 . 1 . 1 9 9 LYS HD3 H 1 1.619 0.03 . 2 . . . . . 27 K HD2 . 51661 1 102 . 1 . 1 9 9 LYS HE2 H 1 2.947 0.03 . 2 . . . . . 27 K HE2 . 51661 1 103 . 1 . 1 9 9 LYS CA C 13 59.429 0.33 . 1 . . . . . 27 K CA . 51661 1 104 . 1 . 1 9 9 LYS CB C 13 32.604 0.33 . 1 . . . . . 27 K CB . 51661 1 105 . 1 . 1 9 9 LYS CG C 13 24.901 0.33 . 1 . . . . . 27 K CG . 51661 1 106 . 1 . 1 9 9 LYS CD C 13 29.211 0.33 . 1 . . . . . 27 K CD . 51661 1 107 . 1 . 1 9 9 LYS CE C 13 42.234 0.33 . 1 . . . . . 27 K CE . 51661 1 108 . 1 . 1 9 9 LYS N N 15 121.720 0.39 . 1 . . . . . 27 K N . 51661 1 109 . 1 . 1 10 10 LYS H H 1 8.216 0.03 . 1 . . . . . 28 K HN . 51661 1 110 . 1 . 1 10 10 LYS HA H 1 4.022 0.03 . 1 . . . . . 28 K HA . 51661 1 111 . 1 . 1 10 10 LYS HB2 H 1 1.900 0.03 . 2 . . . . . 28 K HB1 . 51661 1 112 . 1 . 1 10 10 LYS HB3 H 1 1.973 0.03 . 2 . . . . . 28 K HB2 . 51661 1 113 . 1 . 1 10 10 LYS HG2 H 1 1.393 0.03 . 2 . . . . . 28 K HG1 . 51661 1 114 . 1 . 1 10 10 LYS HG3 H 1 1.514 0.03 . 2 . . . . . 28 K HG2 . 51661 1 115 . 1 . 1 10 10 LYS HD2 H 1 1.654 0.03 . 2 . . . . . 28 K HD1 . 51661 1 116 . 1 . 1 10 10 LYS HD3 H 1 1.654 0.03 . 2 . . . . . 28 K HD2 . 51661 1 117 . 1 . 1 10 10 LYS HE2 H 1 2.958 0.03 . 2 . . . . . 28 K HE2 . 51661 1 118 . 1 . 1 10 10 LYS CA C 13 59.336 0.33 . 1 . . . . . 28 K CA . 51661 1 119 . 1 . 1 10 10 LYS CB C 13 32.796 0.33 . 1 . . . . . 28 K CB . 51661 1 120 . 1 . 1 10 10 LYS CG C 13 25.030 0.33 . 1 . . . . . 28 K CG . 51661 1 121 . 1 . 1 10 10 LYS CD C 13 29.360 0.33 . 1 . . . . . 28 K CD . 51661 1 122 . 1 . 1 10 10 LYS CE C 13 42.181 0.33 . 1 . . . . . 28 K CE . 51661 1 123 . 1 . 1 10 10 LYS N N 15 119.215 0.39 . 1 . . . . . 28 K N . 51661 1 124 . 1 . 1 11 11 GLU H H 1 8.430 0.03 . 1 . . . . . 29 E HN . 51661 1 125 . 1 . 1 11 11 GLU HA H 1 3.997 0.03 . 1 . . . . . 29 E HA . 51661 1 126 . 1 . 1 11 11 GLU HB2 H 1 1.284 0.03 . 2 . . . . . 29 E HB1 . 51661 1 127 . 1 . 1 11 11 GLU HB3 H 1 1.627 0.03 . 2 . . . . . 29 E HB2 . 51661 1 128 . 1 . 1 11 11 GLU HG2 H 1 2.247 0.03 . 2 . . . . . 29 E HG1 . 51661 1 129 . 1 . 1 11 11 GLU HG3 H 1 1.807 0.03 . 2 . . . . . 29 E HG2 . 51661 1 130 . 1 . 1 11 11 GLU CA C 13 58.576 0.33 . 1 . . . . . 29 E CA . 51661 1 131 . 1 . 1 11 11 GLU CB C 13 30.314 0.33 . 1 . . . . . 29 E CB . 51661 1 132 . 1 . 1 11 11 GLU CG C 13 36.937 0.33 . 1 . . . . . 29 E CG . 51661 1 133 . 1 . 1 11 11 GLU N N 15 114.931 0.39 . 1 . . . . . 29 E N . 51661 1 134 . 1 . 1 12 12 PHE H H 1 7.968 0.03 . 1 . . . . . 30 F HN . 51661 1 135 . 1 . 1 12 12 PHE HA H 1 4.232 0.03 . 1 . . . . . 30 F HA . 51661 1 136 . 1 . 1 12 12 PHE HB2 H 1 3.236 0.03 . 2 . . . . . 30 F HB1 . 51661 1 137 . 1 . 1 12 12 PHE HB3 H 1 2.944 0.03 . 2 . . . . . 30 F HB2 . 51661 1 138 . 1 . 1 12 12 PHE HD1 H 1 7.312 0.03 . 3 . . . . . 30 F HD1 . 51661 1 139 . 1 . 1 12 12 PHE HD2 H 1 7.312 0.03 . 3 . . . . . 30 F HD2 . 51661 1 140 . 1 . 1 12 12 PHE HE1 H 1 7.145 0.03 . 3 . . . . . 30 F HE1 . 51661 1 141 . 1 . 1 12 12 PHE HE2 H 1 7.145 0.03 . 3 . . . . . 30 F HE2 . 51661 1 142 . 1 . 1 12 12 PHE CA C 13 57.823 0.33 . 1 . . . . . 30 F CA . 51661 1 143 . 1 . 1 12 12 PHE CB C 13 40.481 0.33 . 1 . . . . . 30 F CB . 51661 1 144 . 1 . 1 12 12 PHE CD1 C 13 132.324 0.33 . 3 . . . . . 30 F CD1 . 51661 1 145 . 1 . 1 12 12 PHE CD2 C 13 132.324 0.33 . 3 . . . . . 30 F CD2 . 51661 1 146 . 1 . 1 12 12 PHE CE1 C 13 130.790 0.33 . 3 . . . . . 30 F CE1 . 51661 1 147 . 1 . 1 12 12 PHE CE2 C 13 130.790 0.33 . 3 . . . . . 30 F CE2 . 51661 1 148 . 1 . 1 12 12 PHE N N 15 113.246 0.39 . 1 . . . . . 30 F N . 51661 1 149 . 1 . 1 13 13 SER H H 1 7.860 0.03 . 1 . . . . . 31 S HN . 51661 1 150 . 1 . 1 13 13 SER HA H 1 4.360 0.03 . 1 . . . . . 31 S HA . 51661 1 151 . 1 . 1 13 13 SER HB2 H 1 4.046 0.03 . 2 . . . . . 31 S HB1 . 51661 1 152 . 1 . 1 13 13 SER HB3 H 1 4.237 0.03 . 2 . . . . . 31 S HB2 . 51661 1 153 . 1 . 1 13 13 SER CA C 13 59.499 0.33 . 1 . . . . . 31 S CA . 51661 1 154 . 1 . 1 13 13 SER CB C 13 61.914 0.33 . 1 . . . . . 31 S CB . 51661 1 155 . 1 . 1 13 13 SER N N 15 112.661 0.39 . 1 . . . . . 31 S N . 51661 1 156 . 1 . 1 14 14 ILE H H 1 6.965 0.03 . 1 . . . . . 32 I HN . 51661 1 157 . 1 . 1 14 14 ILE HA H 1 4.826 0.03 . 1 . . . . . 32 I HA . 51661 1 158 . 1 . 1 14 14 ILE HB H 1 1.742 0.03 . 1 . . . . . 32 I HB . 51661 1 159 . 1 . 1 14 14 ILE HG12 H 1 1.313 0.03 . 1 . . . . . 32 I HG11 . 51661 1 160 . 1 . 1 14 14 ILE HG13 H 1 1.355 0.03 . 1 . . . . . 32 I HG12 . 51661 1 161 . 1 . 1 14 14 ILE HG21 H 1 0.790 0.03 . 1 . . . . . 32 I HG21 . 51661 1 162 . 1 . 1 14 14 ILE HG22 H 1 0.790 0.03 . 1 . . . . . 32 I HG21 . 51661 1 163 . 1 . 1 14 14 ILE HG23 H 1 0.790 0.03 . 1 . . . . . 32 I HG21 . 51661 1 164 . 1 . 1 14 14 ILE HD11 H 1 0.594 0.03 . 1 . . . . . 32 I HD11 . 51661 1 165 . 1 . 1 14 14 ILE HD12 H 1 0.594 0.03 . 1 . . . . . 32 I HD11 . 51661 1 166 . 1 . 1 14 14 ILE HD13 H 1 0.594 0.03 . 1 . . . . . 32 I HD11 . 51661 1 167 . 1 . 1 14 14 ILE CA C 13 58.641 0.33 . 1 . . . . . 32 I CA . 51661 1 168 . 1 . 1 14 14 ILE CB C 13 41.881 0.33 . 1 . . . . . 32 I CB . 51661 1 169 . 1 . 1 14 14 ILE CG1 C 13 25.270 0.33 . 1 . . . . . 32 I CG1 . 51661 1 170 . 1 . 1 14 14 ILE CG2 C 13 16.940 0.33 . 1 . . . . . 32 I CG2 . 51661 1 171 . 1 . 1 14 14 ILE CD1 C 13 13.491 0.33 . 1 . . . . . 32 I CD1 . 51661 1 172 . 1 . 1 14 14 ILE N N 15 111.437 0.39 . 1 . . . . . 32 I N . 51661 1 173 . 1 . 1 15 15 SER H H 1 8.306 0.03 . 1 . . . . . 33 S HN . 51661 1 174 . 1 . 1 15 15 SER HA H 1 4.351 0.03 . 1 . . . . . 33 S HA . 51661 1 175 . 1 . 1 15 15 SER HB2 H 1 4.121 0.03 . 2 . . . . . 33 S HB2 . 51661 1 176 . 1 . 1 15 15 SER CA C 13 56.270 0.33 . 1 . . . . . 33 S CA . 51661 1 177 . 1 . 1 15 15 SER CB C 13 67.202 0.33 . 1 . . . . . 33 S CB . 51661 1 178 . 1 . 1 15 15 SER N N 15 115.948 0.39 . 1 . . . . . 33 S N . 51661 1 179 . 1 . 1 16 16 PHE H H 1 9.420 0.03 . 1 . . . . . 34 F HN . 51661 1 180 . 1 . 1 16 16 PHE HA H 1 4.310 0.03 . 1 . . . . . 34 F HA . 51661 1 181 . 1 . 1 16 16 PHE HB2 H 1 3.159 0.03 . 2 . . . . . 34 F HB1 . 51661 1 182 . 1 . 1 16 16 PHE HB3 H 1 3.270 0.03 . 2 . . . . . 34 F HB2 . 51661 1 183 . 1 . 1 16 16 PHE HD1 H 1 7.290 0.03 . 3 . . . . . 34 F HD1 . 51661 1 184 . 1 . 1 16 16 PHE HD2 H 1 7.290 0.03 . 3 . . . . . 34 F HD2 . 51661 1 185 . 1 . 1 16 16 PHE HE1 H 1 7.251 0.03 . 3 . . . . . 34 F HE1 . 51661 1 186 . 1 . 1 16 16 PHE HE2 H 1 7.251 0.03 . 3 . . . . . 34 F HE2 . 51661 1 187 . 1 . 1 16 16 PHE CA C 13 61.993 0.33 . 1 . . . . . 34 F CA . 51661 1 188 . 1 . 1 16 16 PHE CB C 13 38.515 0.33 . 1 . . . . . 34 F CB . 51661 1 189 . 1 . 1 16 16 PHE CE1 C 13 133.034 0.33 . 3 . . . . . 34 F CE1 . 51661 1 190 . 1 . 1 16 16 PHE CE2 C 13 133.034 0.33 . 3 . . . . . 34 F CE2 . 51661 1 191 . 1 . 1 16 16 PHE N N 15 122.604 0.39 . 1 . . . . . 34 F N . 51661 1 192 . 1 . 1 17 17 GLU H H 1 9.948 0.03 . 1 . . . . . 35 E HN . 51661 1 193 . 1 . 1 17 17 GLU HA H 1 3.526 0.03 . 1 . . . . . 35 E HA . 51661 1 194 . 1 . 1 17 17 GLU HB2 H 1 1.498 0.03 . 2 . . . . . 35 E HB1 . 51661 1 195 . 1 . 1 17 17 GLU HB3 H 1 1.767 0.03 . 2 . . . . . 35 E HB2 . 51661 1 196 . 1 . 1 17 17 GLU HG2 H 1 2.095 0.03 . 2 . . . . . 35 E HG2 . 51661 1 197 . 1 . 1 17 17 GLU CA C 13 61.298 0.33 . 1 . . . . . 35 E CA . 51661 1 198 . 1 . 1 17 17 GLU CB C 13 27.990 0.33 . 1 . . . . . 35 E CB . 51661 1 199 . 1 . 1 17 17 GLU CG C 13 36.729 0.33 . 1 . . . . . 35 E CG . 51661 1 200 . 1 . 1 17 17 GLU N N 15 120.217 0.39 . 1 . . . . . 35 E N . 51661 1 201 . 1 . 1 18 18 GLU H H 1 7.746 0.03 . 1 . . . . . 36 E HN . 51661 1 202 . 1 . 1 18 18 GLU HA H 1 3.690 0.03 . 1 . . . . . 36 E HA . 51661 1 203 . 1 . 1 18 18 GLU HB2 H 1 2.505 0.03 . 2 . . . . . 36 E HB1 . 51661 1 204 . 1 . 1 18 18 GLU HB3 H 1 1.793 0.03 . 2 . . . . . 36 E HB2 . 51661 1 205 . 1 . 1 18 18 GLU HG2 H 1 2.252 0.03 . 2 . . . . . 36 E HG2 . 51661 1 206 . 1 . 1 18 18 GLU CA C 13 59.995 0.33 . 1 . . . . . 36 E CA . 51661 1 207 . 1 . 1 18 18 GLU CB C 13 30.547 0.33 . 1 . . . . . 36 E CB . 51661 1 208 . 1 . 1 18 18 GLU N N 15 118.373 0.39 . 1 . . . . . 36 E N . 51661 1 209 . 1 . 1 19 19 PHE H H 1 8.290 0.03 . 1 . . . . . 37 F HN . 51661 1 210 . 1 . 1 19 19 PHE HA H 1 3.908 0.03 . 1 . . . . . 37 F HA . 51661 1 211 . 1 . 1 19 19 PHE HB2 H 1 2.884 0.03 . 2 . . . . . 37 F HB1 . 51661 1 212 . 1 . 1 19 19 PHE HB3 H 1 3.244 0.03 . 2 . . . . . 37 F HB2 . 51661 1 213 . 1 . 1 19 19 PHE HD1 H 1 6.642 0.03 . 3 . . . . . 37 F HD1 . 51661 1 214 . 1 . 1 19 19 PHE HD2 H 1 6.642 0.03 . 3 . . . . . 37 F HD2 . 51661 1 215 . 1 . 1 19 19 PHE HE1 H 1 7.067 0.03 . 3 . . . . . 37 F HE1 . 51661 1 216 . 1 . 1 19 19 PHE HE2 H 1 7.067 0.03 . 3 . . . . . 37 F HE2 . 51661 1 217 . 1 . 1 19 19 PHE HZ H 1 7.243 0.03 . 1 . . . . . 37 F HZ . 51661 1 218 . 1 . 1 19 19 PHE CA C 13 60.449 0.33 . 1 . . . . . 37 F CA . 51661 1 219 . 1 . 1 19 19 PHE CB C 13 38.868 0.33 . 1 . . . . . 37 F CB . 51661 1 220 . 1 . 1 19 19 PHE CD1 C 13 130.373 0.33 . 3 . . . . . 37 F CD1 . 51661 1 221 . 1 . 1 19 19 PHE CD2 C 13 130.373 0.33 . 3 . . . . . 37 F CD2 . 51661 1 222 . 1 . 1 19 19 PHE CE1 C 13 131.497 0.33 . 3 . . . . . 37 F CE1 . 51661 1 223 . 1 . 1 19 19 PHE CE2 C 13 131.497 0.33 . 3 . . . . . 37 F CE2 . 51661 1 224 . 1 . 1 19 19 PHE N N 15 119.412 0.39 . 1 . . . . . 37 F N . 51661 1 225 . 1 . 1 20 20 ALA H H 1 8.719 0.03 . 1 . . . . . 38 A HN . 51661 1 226 . 1 . 1 20 20 ALA HA H 1 3.889 0.03 . 1 . . . . . 38 A HA . 51661 1 227 . 1 . 1 20 20 ALA HB1 H 1 1.621 0.03 . 1 . . . . . 38 A HB1 . 51661 1 228 . 1 . 1 20 20 ALA HB2 H 1 1.621 0.03 . 1 . . . . . 38 A HB1 . 51661 1 229 . 1 . 1 20 20 ALA HB3 H 1 1.621 0.03 . 1 . . . . . 38 A HB1 . 51661 1 230 . 1 . 1 20 20 ALA CA C 13 55.248 0.33 . 1 . . . . . 38 A CA . 51661 1 231 . 1 . 1 20 20 ALA CB C 13 18.870 0.33 . 1 . . . . . 38 A CB . 51661 1 232 . 1 . 1 20 20 ALA N N 15 124.639 0.39 . 1 . . . . . 38 A N . 51661 1 233 . 1 . 1 21 21 VAL H H 1 7.940 0.03 . 1 . . . . . 39 V HN . 51661 1 234 . 1 . 1 21 21 VAL HA H 1 3.340 0.03 . 1 . . . . . 39 V HA . 51661 1 235 . 1 . 1 21 21 VAL HB H 1 2.088 0.03 . 1 . . . . . 39 V HB . 51661 1 236 . 1 . 1 21 21 VAL HG11 H 1 0.779 0.03 . 2 . . . . . 39 V HG11 . 51661 1 237 . 1 . 1 21 21 VAL HG12 H 1 0.779 0.03 . 2 . . . . . 39 V HG11 . 51661 1 238 . 1 . 1 21 21 VAL HG13 H 1 0.779 0.03 . 2 . . . . . 39 V HG11 . 51661 1 239 . 1 . 1 21 21 VAL HG21 H 1 0.867 0.03 . 2 . . . . . 39 V HG21 . 51661 1 240 . 1 . 1 21 21 VAL HG22 H 1 0.867 0.03 . 2 . . . . . 39 V HG21 . 51661 1 241 . 1 . 1 21 21 VAL HG23 H 1 0.867 0.03 . 2 . . . . . 39 V HG21 . 51661 1 242 . 1 . 1 21 21 VAL CA C 13 67.267 0.33 . 1 . . . . . 39 V CA . 51661 1 243 . 1 . 1 21 21 VAL CB C 13 31.698 0.33 . 1 . . . . . 39 V CB . 51661 1 244 . 1 . 1 21 21 VAL CG1 C 13 21.757 0.33 . 1 . . . . . 39 V CG1 . 51661 1 245 . 1 . 1 21 21 VAL CG2 C 13 23.095 0.33 . 1 . . . . . 39 V CG2 . 51661 1 246 . 1 . 1 21 21 VAL N N 15 120.282 0.39 . 1 . . . . . 39 V N . 51661 1 247 . 1 . 1 22 22 LEU H H 1 8.127 0.03 . 1 . . . . . 40 L HN . 51661 1 248 . 1 . 1 22 22 LEU HA H 1 3.824 0.03 . 1 . . . . . 40 L HA . 51661 1 249 . 1 . 1 22 22 LEU HB2 H 1 1.140 0.03 . 2 . . . . . 40 L HB1 . 51661 1 250 . 1 . 1 22 22 LEU HB3 H 1 1.816 0.03 . 2 . . . . . 40 L HB2 . 51661 1 251 . 1 . 1 22 22 LEU HD11 H 1 0.401 0.03 . 2 . . . . . 40 L HD11 . 51661 1 252 . 1 . 1 22 22 LEU HD12 H 1 0.401 0.03 . 2 . . . . . 40 L HD11 . 51661 1 253 . 1 . 1 22 22 LEU HD13 H 1 0.401 0.03 . 2 . . . . . 40 L HD11 . 51661 1 254 . 1 . 1 22 22 LEU HD21 H 1 0.685 0.03 . 2 . . . . . 40 L HD21 . 51661 1 255 . 1 . 1 22 22 LEU HD22 H 1 0.685 0.03 . 2 . . . . . 40 L HD21 . 51661 1 256 . 1 . 1 22 22 LEU HD23 H 1 0.685 0.03 . 2 . . . . . 40 L HD21 . 51661 1 257 . 1 . 1 22 22 LEU CA C 13 57.960 0.33 . 1 . . . . . 40 L CA . 51661 1 258 . 1 . 1 22 22 LEU CB C 13 41.817 0.33 . 1 . . . . . 40 L CB . 51661 1 259 . 1 . 1 22 22 LEU CG C 13 27.109 0.33 . 1 . . . . . 40 L CG . 51661 1 260 . 1 . 1 22 22 LEU CD1 C 13 25.629 0.33 . 1 . . . . . 40 L CD1 . 51661 1 261 . 1 . 1 22 22 LEU CD2 C 13 22.657 0.33 . 1 . . . . . 40 L CD2 . 51661 1 262 . 1 . 1 22 22 LEU N N 15 116.523 0.39 . 1 . . . . . 40 L N . 51661 1 263 . 1 . 1 23 23 THR H H 1 8.288 0.03 . 1 . . . . . 41 T HN . 51661 1 264 . 1 . 1 23 23 THR HA H 1 3.492 0.03 . 1 . . . . . 41 T HA . 51661 1 265 . 1 . 1 23 23 THR HB H 1 3.925 0.03 . 1 . . . . . 41 T HB . 51661 1 266 . 1 . 1 23 23 THR HG21 H 1 0.954 0.03 . 1 . . . . . 41 T HG21 . 51661 1 267 . 1 . 1 23 23 THR HG22 H 1 0.954 0.03 . 1 . . . . . 41 T HG21 . 51661 1 268 . 1 . 1 23 23 THR HG23 H 1 0.954 0.03 . 1 . . . . . 41 T HG21 . 51661 1 269 . 1 . 1 23 23 THR CA C 13 67.635 0.33 . 1 . . . . . 41 T CA . 51661 1 270 . 1 . 1 23 23 THR CB C 13 68.263 0.33 . 1 . . . . . 41 T CB . 51661 1 271 . 1 . 1 23 23 THR CG2 C 13 20.778 0.33 . 1 . . . . . 41 T CG2 . 51661 1 272 . 1 . 1 23 23 THR N N 15 116.212 0.39 . 1 . . . . . 41 T N . 51661 1 273 . 1 . 1 24 24 TYR H H 1 7.708 0.03 . 1 . . . . . 42 Y HN . 51661 1 274 . 1 . 1 24 24 TYR HA H 1 3.939 0.03 . 1 . . . . . 42 Y HA . 51661 1 275 . 1 . 1 24 24 TYR HB2 H 1 3.057 0.03 . 2 . . . . . 42 Y HB1 . 51661 1 276 . 1 . 1 24 24 TYR HB3 H 1 2.967 0.03 . 2 . . . . . 42 Y HB2 . 51661 1 277 . 1 . 1 24 24 TYR HD1 H 1 6.731 0.03 . 3 . . . . . 42 Y HD1 . 51661 1 278 . 1 . 1 24 24 TYR HD2 H 1 6.731 0.03 . 3 . . . . . 42 Y HD2 . 51661 1 279 . 1 . 1 24 24 TYR HE1 H 1 6.492 0.03 . 3 . . . . . 42 Y HE1 . 51661 1 280 . 1 . 1 24 24 TYR HE2 H 1 6.492 0.03 . 3 . . . . . 42 Y HE2 . 51661 1 281 . 1 . 1 24 24 TYR CA C 13 62.565 0.33 . 1 . . . . . 42 Y CA . 51661 1 282 . 1 . 1 24 24 TYR CB C 13 38.228 0.33 . 1 . . . . . 42 Y CB . 51661 1 283 . 1 . 1 24 24 TYR CD1 C 13 132.620 0.33 . 3 . . . . . 42 Y CD1 . 51661 1 284 . 1 . 1 24 24 TYR CD2 C 13 132.620 0.33 . 3 . . . . . 42 Y CD2 . 51661 1 285 . 1 . 1 24 24 TYR CE1 C 13 117.955 0.33 . 3 . . . . . 42 Y CE1 . 51661 1 286 . 1 . 1 24 24 TYR CE2 C 13 117.955 0.33 . 3 . . . . . 42 Y CE2 . 51661 1 287 . 1 . 1 24 24 TYR N N 15 122.660 0.39 . 1 . . . . . 42 Y N . 51661 1 288 . 1 . 1 25 25 ILE H H 1 7.663 0.03 . 1 . . . . . 43 I HN . 51661 1 289 . 1 . 1 25 25 ILE HA H 1 3.375 0.03 . 1 . . . . . 43 I HA . 51661 1 290 . 1 . 1 25 25 ILE HB H 1 1.770 0.03 . 1 . . . . . 43 I HB . 51661 1 291 . 1 . 1 25 25 ILE HG12 H 1 1.366 0.03 . 1 . . . . . 43 I HG11 . 51661 1 292 . 1 . 1 25 25 ILE HG13 H 1 1.366 0.03 . 1 . . . . . 43 I HG12 . 51661 1 293 . 1 . 1 25 25 ILE HG21 H 1 0.747 0.03 . 1 . . . . . 43 I HG21 . 51661 1 294 . 1 . 1 25 25 ILE HG22 H 1 0.747 0.03 . 1 . . . . . 43 I HG21 . 51661 1 295 . 1 . 1 25 25 ILE HG23 H 1 0.747 0.03 . 1 . . . . . 43 I HG21 . 51661 1 296 . 1 . 1 25 25 ILE HD11 H 1 0.216 0.03 . 1 . . . . . 43 I HD11 . 51661 1 297 . 1 . 1 25 25 ILE HD12 H 1 0.216 0.03 . 1 . . . . . 43 I HD11 . 51661 1 298 . 1 . 1 25 25 ILE HD13 H 1 0.216 0.03 . 1 . . . . . 43 I HD11 . 51661 1 299 . 1 . 1 25 25 ILE CA C 13 63.996 0.33 . 1 . . . . . 43 I CA . 51661 1 300 . 1 . 1 25 25 ILE CB C 13 38.510 0.33 . 1 . . . . . 43 I CB . 51661 1 301 . 1 . 1 25 25 ILE CG1 C 13 28.462 0.33 . 1 . . . . . 43 I CG1 . 51661 1 302 . 1 . 1 25 25 ILE CG2 C 13 17.026 0.33 . 1 . . . . . 43 I CG2 . 51661 1 303 . 1 . 1 25 25 ILE CD1 C 13 14.180 0.33 . 1 . . . . . 43 I CD1 . 51661 1 304 . 1 . 1 25 25 ILE N N 15 118.003 0.39 . 1 . . . . . 43 I N . 51661 1 305 . 1 . 1 26 26 SER H H 1 8.167 0.03 . 1 . . . . . 44 S HN . 51661 1 306 . 1 . 1 26 26 SER HA H 1 4.071 0.03 . 1 . . . . . 44 S HA . 51661 1 307 . 1 . 1 26 26 SER HB2 H 1 3.752 0.03 . 2 . . . . . 44 S HB1 . 51661 1 308 . 1 . 1 26 26 SER HB3 H 1 3.820 0.03 . 2 . . . . . 44 S HB2 . 51661 1 309 . 1 . 1 26 26 SER CA C 13 60.369 0.33 . 1 . . . . . 44 S CA . 51661 1 310 . 1 . 1 26 26 SER CB C 13 63.958 0.33 . 1 . . . . . 44 S CB . 51661 1 311 . 1 . 1 26 26 SER N N 15 114.136 0.39 . 1 . . . . . 44 S N . 51661 1 312 . 1 . 1 27 27 GLU H H 1 8.017 0.03 . 1 . . . . . 45 E HN . 51661 1 313 . 1 . 1 27 27 GLU HA H 1 4.027 0.03 . 1 . . . . . 45 E HA . 51661 1 314 . 1 . 1 27 27 GLU HB2 H 1 1.882 0.03 . 2 . . . . . 45 E HB1 . 51661 1 315 . 1 . 1 27 27 GLU HB3 H 1 1.882 0.03 . 2 . . . . . 45 E HB2 . 51661 1 316 . 1 . 1 27 27 GLU HG2 H 1 2.152 0.03 . 2 . . . . . 45 E HG1 . 51661 1 317 . 1 . 1 27 27 GLU HG3 H 1 2.394 0.03 . 2 . . . . . 45 E HG2 . 51661 1 318 . 1 . 1 27 27 GLU CA C 13 57.987 0.33 . 1 . . . . . 45 E CA . 51661 1 319 . 1 . 1 27 27 GLU CB C 13 30.417 0.33 . 1 . . . . . 45 E CB . 51661 1 320 . 1 . 1 27 27 GLU CG C 13 36.816 0.33 . 1 . . . . . 45 E CG . 51661 1 321 . 1 . 1 27 27 GLU N N 15 116.625 0.39 . 1 . . . . . 45 E N . 51661 1 322 . 1 . 1 28 28 ASN H H 1 7.368 0.03 . 1 . . . . . 46 N HN . 51661 1 323 . 1 . 1 28 28 ASN HA H 1 4.794 0.03 . 1 . . . . . 46 N HA . 51661 1 324 . 1 . 1 28 28 ASN HB2 H 1 2.414 0.03 . 2 . . . . . 46 N HB1 . 51661 1 325 . 1 . 1 28 28 ASN HB3 H 1 2.481 0.03 . 2 . . . . . 46 N HB2 . 51661 1 326 . 1 . 1 28 28 ASN HD21 H 1 6.758 0.03 . 2 . . . . . 46 N HD21 . 51661 1 327 . 1 . 1 28 28 ASN HD22 H 1 6.626 0.03 . 2 . . . . . 46 N HD22 . 51661 1 328 . 1 . 1 28 28 ASN CA C 13 52.304 0.33 . 1 . . . . . 46 N CA . 51661 1 329 . 1 . 1 28 28 ASN CB C 13 39.413 0.33 . 1 . . . . . 46 N CB . 51661 1 330 . 1 . 1 28 28 ASN N N 15 118.003 0.39 . 1 . . . . . 46 N N . 51661 1 331 . 1 . 1 28 28 ASN ND2 N 15 117.458 0.39 . 1 . . . . . 46 N ND2 . 51661 1 332 . 1 . 1 29 29 LYS H H 1 8.500 0.03 . 1 . . . . . 47 K HN . 51661 1 333 . 1 . 1 29 29 LYS HA H 1 4.017 0.03 . 1 . . . . . 47 K HA . 51661 1 334 . 1 . 1 29 29 LYS HB2 H 1 1.741 0.03 . 2 . . . . . 47 K HB1 . 51661 1 335 . 1 . 1 29 29 LYS HB3 H 1 1.779 0.03 . 2 . . . . . 47 K HB2 . 51661 1 336 . 1 . 1 29 29 LYS HG2 H 1 1.361 0.03 . 2 . . . . . 47 K HG1 . 51661 1 337 . 1 . 1 29 29 LYS HG3 H 1 1.312 0.03 . 2 . . . . . 47 K HG2 . 51661 1 338 . 1 . 1 29 29 LYS HD2 H 1 1.640 0.03 . 2 . . . . . 47 K HD1 . 51661 1 339 . 1 . 1 29 29 LYS HD3 H 1 1.640 0.03 . 2 . . . . . 47 K HD2 . 51661 1 340 . 1 . 1 29 29 LYS HE2 H 1 3.018 0.03 . 2 . . . . . 47 K HE1 . 51661 1 341 . 1 . 1 29 29 LYS HE3 H 1 3.018 0.03 . 2 . . . . . 47 K HE2 . 51661 1 342 . 1 . 1 29 29 LYS CA C 13 58.260 0.33 . 1 . . . . . 47 K CA . 51661 1 343 . 1 . 1 29 29 LYS CB C 13 31.753 0.33 . 1 . . . . . 47 K CB . 51661 1 344 . 1 . 1 29 29 LYS CG C 13 25.134 0.33 . 1 . . . . . 47 K CG . 51661 1 345 . 1 . 1 29 29 LYS CD C 13 29.265 0.33 . 1 . . . . . 47 K CD . 51661 1 346 . 1 . 1 29 29 LYS N N 15 122.148 0.39 . 1 . . . . . 47 K N . 51661 1 347 . 1 . 1 30 30 GLU H H 1 7.572 0.03 . 1 . . . . . 48 E HN . 51661 1 348 . 1 . 1 30 30 GLU HA H 1 4.475 0.03 . 1 . . . . . 48 E HA . 51661 1 349 . 1 . 1 30 30 GLU HB2 H 1 0.623 0.03 . 2 . . . . . 48 E HB1 . 51661 1 350 . 1 . 1 30 30 GLU HB3 H 1 1.763 0.03 . 2 . . . . . 48 E HB2 . 51661 1 351 . 1 . 1 30 30 GLU HG2 H 1 2.008 0.03 . 2 . . . . . 48 E HG1 . 51661 1 352 . 1 . 1 30 30 GLU HG3 H 1 2.062 0.03 . 2 . . . . . 48 E HG2 . 51661 1 353 . 1 . 1 30 30 GLU CA C 13 54.389 0.33 . 1 . . . . . 48 E CA . 51661 1 354 . 1 . 1 30 30 GLU CB C 13 32.647 0.33 . 1 . . . . . 48 E CB . 51661 1 355 . 1 . 1 30 30 GLU CG C 13 35.380 0.33 . 1 . . . . . 48 E CG . 51661 1 356 . 1 . 1 30 30 GLU N N 15 124.067 0.39 . 1 . . . . . 48 E N . 51661 1 357 . 1 . 1 31 31 LYS H H 1 8.672 0.03 . 1 . . . . . 49 K HN . 51661 1 358 . 1 . 1 31 31 LYS HA H 1 4.353 0.03 . 1 . . . . . 49 K HA . 51661 1 359 . 1 . 1 31 31 LYS HB2 H 1 1.856 0.03 . 2 . . . . . 49 K HB1 . 51661 1 360 . 1 . 1 31 31 LYS HB3 H 1 1.856 0.03 . 2 . . . . . 49 K HB2 . 51661 1 361 . 1 . 1 31 31 LYS HG2 H 1 1.456 0.03 . 2 . . . . . 49 K HG1 . 51661 1 362 . 1 . 1 31 31 LYS HG3 H 1 1.465 0.03 . 2 . . . . . 49 K HG2 . 51661 1 363 . 1 . 1 31 31 LYS HD2 H 1 1.719 0.03 . 2 . . . . . 49 K HD1 . 51661 1 364 . 1 . 1 31 31 LYS HD3 H 1 1.719 0.03 . 2 . . . . . 49 K HD2 . 51661 1 365 . 1 . 1 31 31 LYS HE2 H 1 3.017 0.03 . 2 . . . . . 49 K HE2 . 51661 1 366 . 1 . 1 31 31 LYS CA C 13 57.721 0.33 . 1 . . . . . 49 K CA . 51661 1 367 . 1 . 1 31 31 LYS CB C 13 33.267 0.33 . 1 . . . . . 49 K CB . 51661 1 368 . 1 . 1 31 31 LYS CG C 13 25.045 0.33 . 1 . . . . . 49 K CG . 51661 1 369 . 1 . 1 31 31 LYS CD C 13 29.143 0.33 . 1 . . . . . 49 K CD . 51661 1 370 . 1 . 1 31 31 LYS CE C 13 41.439 0.33 . 1 . . . . . 49 K CE . 51661 1 371 . 1 . 1 31 31 LYS N N 15 118.504 0.39 . 1 . . . . . 49 K N . 51661 1 372 . 1 . 1 32 32 GLU H H 1 7.137 0.03 . 1 . . . . . 50 E HN . 51661 1 373 . 1 . 1 32 32 GLU HA H 1 5.026 0.03 . 1 . . . . . 50 E HA . 51661 1 374 . 1 . 1 32 32 GLU HB2 H 1 1.886 0.03 . 2 . . . . . 50 E HB1 . 51661 1 375 . 1 . 1 32 32 GLU HB3 H 1 1.708 0.03 . 2 . . . . . 50 E HB2 . 51661 1 376 . 1 . 1 32 32 GLU HG2 H 1 1.927 0.03 . 2 . . . . . 50 E HG1 . 51661 1 377 . 1 . 1 32 32 GLU HG3 H 1 1.996 0.03 . 2 . . . . . 50 E HG2 . 51661 1 378 . 1 . 1 32 32 GLU CA C 13 54.553 0.33 . 1 . . . . . 50 E CA . 51661 1 379 . 1 . 1 32 32 GLU CB C 13 32.678 0.33 . 1 . . . . . 50 E CB . 51661 1 380 . 1 . 1 32 32 GLU CG C 13 35.206 0.33 . 1 . . . . . 50 E CG . 51661 1 381 . 1 . 1 32 32 GLU N N 15 115.564 0.39 . 1 . . . . . 50 E N . 51661 1 382 . 1 . 1 33 33 TYR H H 1 9.083 0.03 . 1 . . . . . 51 Y HN . 51661 1 383 . 1 . 1 33 33 TYR HA H 1 4.889 0.03 . 1 . . . . . 51 Y HA . 51661 1 384 . 1 . 1 33 33 TYR HB2 H 1 2.791 0.03 . 2 . . . . . 51 Y HB1 . 51661 1 385 . 1 . 1 33 33 TYR HB3 H 1 2.602 0.03 . 2 . . . . . 51 Y HB2 . 51661 1 386 . 1 . 1 33 33 TYR HD1 H 1 7.060 0.03 . 3 . . . . . 51 Y HD1 . 51661 1 387 . 1 . 1 33 33 TYR HD2 H 1 7.060 0.03 . 3 . . . . . 51 Y HD2 . 51661 1 388 . 1 . 1 33 33 TYR HE1 H 1 6.695 0.03 . 3 . . . . . 51 Y HE1 . 51661 1 389 . 1 . 1 33 33 TYR HE2 H 1 6.695 0.03 . 3 . . . . . 51 Y HE2 . 51661 1 390 . 1 . 1 33 33 TYR CA C 13 56.188 0.33 . 1 . . . . . 51 Y CA . 51661 1 391 . 1 . 1 33 33 TYR CB C 13 41.550 0.33 . 1 . . . . . 51 Y CB . 51661 1 392 . 1 . 1 33 33 TYR CD1 C 13 132.953 0.33 . 3 . . . . . 51 Y CD1 . 51661 1 393 . 1 . 1 33 33 TYR CD2 C 13 132.953 0.33 . 3 . . . . . 51 Y CD2 . 51661 1 394 . 1 . 1 33 33 TYR CE1 C 13 118.635 0.33 . 3 . . . . . 51 Y CE1 . 51661 1 395 . 1 . 1 33 33 TYR CE2 C 13 118.635 0.33 . 3 . . . . . 51 Y CE2 . 51661 1 396 . 1 . 1 33 33 TYR N N 15 118.675 0.39 . 1 . . . . . 51 Y N . 51661 1 397 . 1 . 1 34 34 TYR H H 1 9.434 0.03 . 1 . . . . . 52 Y HN . 51661 1 398 . 1 . 1 34 34 TYR HA H 1 4.658 0.03 . 1 . . . . . 52 Y HA . 51661 1 399 . 1 . 1 34 34 TYR HB2 H 1 3.153 0.03 . 2 . . . . . 52 Y HB1 . 51661 1 400 . 1 . 1 34 34 TYR HB3 H 1 3.046 0.03 . 2 . . . . . 52 Y HB2 . 51661 1 401 . 1 . 1 34 34 TYR HD1 H 1 7.249 0.03 . 3 . . . . . 52 Y HD1 . 51661 1 402 . 1 . 1 34 34 TYR HD2 H 1 7.249 0.03 . 3 . . . . . 52 Y HD2 . 51661 1 403 . 1 . 1 34 34 TYR HE1 H 1 6.810 0.03 . 3 . . . . . 52 Y HE1 . 51661 1 404 . 1 . 1 34 34 TYR HE2 H 1 6.810 0.03 . 3 . . . . . 52 Y HE2 . 51661 1 405 . 1 . 1 34 34 TYR HH H 1 7.387 0.03 . 1 . . . . . 52 Y HH . 51661 1 406 . 1 . 1 34 34 TYR CA C 13 57.782 0.33 . 1 . . . . . 52 Y CA . 51661 1 407 . 1 . 1 34 34 TYR CB C 13 38.316 0.33 . 1 . . . . . 52 Y CB . 51661 1 408 . 1 . 1 34 34 TYR CD1 C 13 133.224 0.33 . 3 . . . . . 52 Y CD1 . 51661 1 409 . 1 . 1 34 34 TYR CD2 C 13 133.224 0.33 . 3 . . . . . 52 Y CD2 . 51661 1 410 . 1 . 1 34 34 TYR CE1 C 13 118.532 0.33 . 3 . . . . . 52 Y CE1 . 51661 1 411 . 1 . 1 34 34 TYR CE2 C 13 118.532 0.33 . 3 . . . . . 52 Y CE2 . 51661 1 412 . 1 . 1 34 34 TYR N N 15 121.570 0.39 . 1 . . . . . 52 Y N . 51661 1 413 . 1 . 1 35 35 LEU H H 1 8.511 0.03 . 1 . . . . . 53 L HN . 51661 1 414 . 1 . 1 35 35 LEU HA H 1 3.892 0.03 . 1 . . . . . 53 L HA . 51661 1 415 . 1 . 1 35 35 LEU HB2 H 1 1.192 0.03 . 2 . . . . . 53 L HB2 . 51661 1 416 . 1 . 1 35 35 LEU HG H 1 1.779 0.03 . 1 . . . . . 53 L HG . 51661 1 417 . 1 . 1 35 35 LEU HD11 H 1 1.053 0.03 . 2 . . . . . 53 L HD11 . 51661 1 418 . 1 . 1 35 35 LEU HD12 H 1 1.053 0.03 . 2 . . . . . 53 L HD11 . 51661 1 419 . 1 . 1 35 35 LEU HD13 H 1 1.053 0.03 . 2 . . . . . 53 L HD11 . 51661 1 420 . 1 . 1 35 35 LEU HD21 H 1 0.900 0.03 . 2 . . . . . 53 L HD21 . 51661 1 421 . 1 . 1 35 35 LEU HD22 H 1 0.900 0.03 . 2 . . . . . 53 L HD21 . 51661 1 422 . 1 . 1 35 35 LEU HD23 H 1 0.900 0.03 . 2 . . . . . 53 L HD21 . 51661 1 423 . 1 . 1 35 35 LEU CA C 13 58.703 0.33 . 1 . . . . . 53 L CA . 51661 1 424 . 1 . 1 35 35 LEU CB C 13 41.200 0.33 . 1 . . . . . 53 L CB . 51661 1 425 . 1 . 1 35 35 LEU CG C 13 26.914 0.33 . 1 . . . . . 53 L CG . 51661 1 426 . 1 . 1 35 35 LEU CD1 C 13 26.055 0.33 . 1 . . . . . 53 L CD1 . 51661 1 427 . 1 . 1 35 35 LEU CD2 C 13 24.132 0.33 . 1 . . . . . 53 L CD2 . 51661 1 428 . 1 . 1 35 35 LEU N N 15 128.200 0.39 . 1 . . . . . 53 L N . 51661 1 429 . 1 . 1 36 36 LYS H H 1 9.283 0.03 . 1 . . . . . 54 K HN . 51661 1 430 . 1 . 1 36 36 LYS HA H 1 3.973 0.03 . 1 . . . . . 54 K HA . 51661 1 431 . 1 . 1 36 36 LYS HB2 H 1 1.811 0.03 . 2 . . . . . 54 K HB1 . 51661 1 432 . 1 . 1 36 36 LYS HB3 H 1 2.049 0.03 . 2 . . . . . 54 K HB2 . 51661 1 433 . 1 . 1 36 36 LYS HG2 H 1 1.480 0.03 . 2 . . . . . 54 K HG1 . 51661 1 434 . 1 . 1 36 36 LYS HG3 H 1 1.480 0.03 . 2 . . . . . 54 K HG2 . 51661 1 435 . 1 . 1 36 36 LYS HD2 H 1 1.694 0.03 . 2 . . . . . 54 K HD1 . 51661 1 436 . 1 . 1 36 36 LYS HD3 H 1 1.694 0.03 . 2 . . . . . 54 K HD2 . 51661 1 437 . 1 . 1 36 36 LYS HE2 H 1 2.957 0.03 . 2 . . . . . 54 K HE2 . 51661 1 438 . 1 . 1 36 36 LYS CA C 13 59.745 0.33 . 1 . . . . . 54 K CA . 51661 1 439 . 1 . 1 36 36 LYS CB C 13 32.822 0.33 . 1 . . . . . 54 K CB . 51661 1 440 . 1 . 1 36 36 LYS CG C 13 24.459 0.33 . 1 . . . . . 54 K CG . 51661 1 441 . 1 . 1 36 36 LYS CD C 13 29.697 0.33 . 1 . . . . . 54 K CD . 51661 1 442 . 1 . 1 36 36 LYS N N 15 117.776 0.39 . 1 . . . . . 54 K N . 51661 1 443 . 1 . 1 37 37 ASP H H 1 7.048 0.03 . 1 . . . . . 55 D HN . 51661 1 444 . 1 . 1 37 37 ASP HA H 1 4.564 0.03 . 1 . . . . . 55 D HA . 51661 1 445 . 1 . 1 37 37 ASP HB2 H 1 2.900 0.03 . 2 . . . . . 55 D HB1 . 51661 1 446 . 1 . 1 37 37 ASP HB3 H 1 3.119 0.03 . 2 . . . . . 55 D HB2 . 51661 1 447 . 1 . 1 37 37 ASP CA C 13 57.251 0.33 . 1 . . . . . 55 D CA . 51661 1 448 . 1 . 1 37 37 ASP CB C 13 41.057 0.33 . 1 . . . . . 55 D CB . 51661 1 449 . 1 . 1 37 37 ASP N N 15 117.446 0.39 . 1 . . . . . 55 D N . 51661 1 450 . 1 . 1 38 38 ILE H H 1 7.540 0.03 . 1 . . . . . 56 I HN . 51661 1 451 . 1 . 1 38 38 ILE HA H 1 2.951 0.03 . 1 . . . . . 56 I HA . 51661 1 452 . 1 . 1 38 38 ILE HB H 1 1.884 0.03 . 1 . . . . . 56 I HB . 51661 1 453 . 1 . 1 38 38 ILE HG12 H 1 0.693 0.03 . 1 . . . . . 56 I HG11 . 51661 1 454 . 1 . 1 38 38 ILE HG13 H 1 1.654 0.03 . 1 . . . . . 56 I HG12 . 51661 1 455 . 1 . 1 38 38 ILE HG21 H 1 0.536 0.03 . 1 . . . . . 56 I HG21 . 51661 1 456 . 1 . 1 38 38 ILE HG22 H 1 0.536 0.03 . 1 . . . . . 56 I HG21 . 51661 1 457 . 1 . 1 38 38 ILE HG23 H 1 0.536 0.03 . 1 . . . . . 56 I HG21 . 51661 1 458 . 1 . 1 38 38 ILE HD11 H 1 0.436 0.03 . 1 . . . . . 56 I HD11 . 51661 1 459 . 1 . 1 38 38 ILE HD12 H 1 0.436 0.03 . 1 . . . . . 56 I HD11 . 51661 1 460 . 1 . 1 38 38 ILE HD13 H 1 0.436 0.03 . 1 . . . . . 56 I HD11 . 51661 1 461 . 1 . 1 38 38 ILE CA C 13 65.938 0.33 . 1 . . . . . 56 I CA . 51661 1 462 . 1 . 1 38 38 ILE CB C 13 37.720 0.33 . 1 . . . . . 56 I CB . 51661 1 463 . 1 . 1 38 38 ILE CG1 C 13 28.907 0.33 . 1 . . . . . 56 I CG1 . 51661 1 464 . 1 . 1 38 38 ILE CG2 C 13 17.330 0.33 . 1 . . . . . 56 I CG2 . 51661 1 465 . 1 . 1 38 38 ILE CD1 C 13 12.892 0.33 . 1 . . . . . 56 I CD1 . 51661 1 466 . 1 . 1 38 38 ILE N N 15 121.262 0.39 . 1 . . . . . 56 I N . 51661 1 467 . 1 . 1 39 39 ILE H H 1 8.149 0.03 . 1 . . . . . 57 I HN . 51661 1 468 . 1 . 1 39 39 ILE HA H 1 3.456 0.03 . 1 . . . . . 57 I HA . 51661 1 469 . 1 . 1 39 39 ILE HB H 1 1.867 0.03 . 1 . . . . . 57 I HB . 51661 1 470 . 1 . 1 39 39 ILE HG12 H 1 1.741 0.03 . 1 . . . . . 57 I HG12 . 51661 1 471 . 1 . 1 39 39 ILE HG21 H 1 0.912 0.03 . 1 . . . . . 57 I HG21 . 51661 1 472 . 1 . 1 39 39 ILE HG22 H 1 0.912 0.03 . 1 . . . . . 57 I HG21 . 51661 1 473 . 1 . 1 39 39 ILE HG23 H 1 0.912 0.03 . 1 . . . . . 57 I HG21 . 51661 1 474 . 1 . 1 39 39 ILE HD11 H 1 0.905 0.03 . 1 . . . . . 57 I HD11 . 51661 1 475 . 1 . 1 39 39 ILE HD12 H 1 0.905 0.03 . 1 . . . . . 57 I HD11 . 51661 1 476 . 1 . 1 39 39 ILE HD13 H 1 0.905 0.03 . 1 . . . . . 57 I HD11 . 51661 1 477 . 1 . 1 39 39 ILE CA C 13 65.862 0.33 . 1 . . . . . 57 I CA . 51661 1 478 . 1 . 1 39 39 ILE CB C 13 38.081 0.33 . 1 . . . . . 57 I CB . 51661 1 479 . 1 . 1 39 39 ILE CG1 C 13 30.351 0.33 . 1 . . . . . 57 I CG1 . 51661 1 480 . 1 . 1 39 39 ILE CG2 C 13 17.267 0.33 . 1 . . . . . 57 I CG2 . 51661 1 481 . 1 . 1 39 39 ILE CD1 C 13 14.979 0.33 . 1 . . . . . 57 I CD1 . 51661 1 482 . 1 . 1 39 39 ILE N N 15 117.278 0.39 . 1 . . . . . 57 I N . 51661 1 483 . 1 . 1 40 40 ASN H H 1 7.808 0.03 . 1 . . . . . 58 N HN . 51661 1 484 . 1 . 1 40 40 ASN HA H 1 4.523 0.03 . 1 . . . . . 58 N HA . 51661 1 485 . 1 . 1 40 40 ASN HB2 H 1 2.873 0.03 . 2 . . . . . 58 N HB1 . 51661 1 486 . 1 . 1 40 40 ASN HB3 H 1 2.715 0.03 . 2 . . . . . 58 N HB2 . 51661 1 487 . 1 . 1 40 40 ASN HD21 H 1 6.811 0.03 . 2 . . . . . 58 N HD21 . 51661 1 488 . 1 . 1 40 40 ASN HD22 H 1 7.656 0.03 . 2 . . . . . 58 N HD22 . 51661 1 489 . 1 . 1 40 40 ASN CA C 13 55.125 0.33 . 1 . . . . . 58 N CA . 51661 1 490 . 1 . 1 40 40 ASN CB C 13 38.522 0.33 . 1 . . . . . 58 N CB . 51661 1 491 . 1 . 1 40 40 ASN N N 15 114.193 0.39 . 1 . . . . . 58 N N . 51661 1 492 . 1 . 1 40 40 ASN ND2 N 15 111.273 0.39 . 1 . . . . . 58 N ND2 . 51661 1 493 . 1 . 1 41 41 HIS H H 1 7.686 0.03 . 1 . . . . . 59 H HN . 51661 1 494 . 1 . 1 41 41 HIS HA H 1 4.538 0.03 . 1 . . . . . 59 H HA . 51661 1 495 . 1 . 1 41 41 HIS HB2 H 1 3.332 0.03 . 2 . . . . . 59 H HB1 . 51661 1 496 . 1 . 1 41 41 HIS HB3 H 1 2.723 0.03 . 2 . . . . . 59 H HB2 . 51661 1 497 . 1 . 1 41 41 HIS CA C 13 57.864 0.33 . 1 . . . . . 59 H CA . 51661 1 498 . 1 . 1 41 41 HIS CB C 13 30.328 0.33 . 1 . . . . . 59 H CB . 51661 1 499 . 1 . 1 41 41 HIS N N 15 115.488 0.39 . 1 . . . . . 59 H N . 51661 1 500 . 1 . 1 42 42 LEU H H 1 7.455 0.03 . 1 . . . . . 60 L HN . 51661 1 501 . 1 . 1 42 42 LEU HA H 1 4.484 0.03 . 1 . . . . . 60 L HA . 51661 1 502 . 1 . 1 42 42 LEU HB2 H 1 1.838 0.03 . 2 . . . . . 60 L HB1 . 51661 1 503 . 1 . 1 42 42 LEU HB3 H 1 1.510 0.03 . 2 . . . . . 60 L HB2 . 51661 1 504 . 1 . 1 42 42 LEU HG H 1 1.885 0.03 . 1 . . . . . 60 L HG . 51661 1 505 . 1 . 1 42 42 LEU HD11 H 1 0.705 0.03 . 2 . . . . . 60 L HD11 . 51661 1 506 . 1 . 1 42 42 LEU HD12 H 1 0.705 0.03 . 2 . . . . . 60 L HD11 . 51661 1 507 . 1 . 1 42 42 LEU HD13 H 1 0.705 0.03 . 2 . . . . . 60 L HD11 . 51661 1 508 . 1 . 1 42 42 LEU HD21 H 1 0.821 0.03 . 2 . . . . . 60 L HD21 . 51661 1 509 . 1 . 1 42 42 LEU HD22 H 1 0.821 0.03 . 2 . . . . . 60 L HD21 . 51661 1 510 . 1 . 1 42 42 LEU HD23 H 1 0.821 0.03 . 2 . . . . . 60 L HD21 . 51661 1 511 . 1 . 1 42 42 LEU CA C 13 54.516 0.33 . 1 . . . . . 60 L CA . 51661 1 512 . 1 . 1 42 42 LEU CB C 13 43.586 0.33 . 1 . . . . . 60 L CB . 51661 1 513 . 1 . 1 42 42 LEU CG C 13 27.972 0.33 . 1 . . . . . 60 L CG . 51661 1 514 . 1 . 1 42 42 LEU CD1 C 13 25.504 0.33 . 1 . . . . . 60 L CD1 . 51661 1 515 . 1 . 1 42 42 LEU CD2 C 13 24.583 0.33 . 1 . . . . . 60 L CD2 . 51661 1 516 . 1 . 1 42 42 LEU N N 15 120.251 0.39 . 1 . . . . . 60 L N . 51661 1 517 . 1 . 1 43 43 ASN H H 1 8.390 0.03 . 1 . . . . . 61 N HN . 51661 1 518 . 1 . 1 43 43 ASN HA H 1 4.768 0.03 . 1 . . . . . 61 N HA . 51661 1 519 . 1 . 1 43 43 ASN HB2 H 1 2.445 0.03 . 2 . . . . . 61 N HB1 . 51661 1 520 . 1 . 1 43 43 ASN HB3 H 1 2.736 0.03 . 2 . . . . . 61 N HB2 . 51661 1 521 . 1 . 1 43 43 ASN HD21 H 1 6.677 0.03 . 2 . . . . . 61 N HD21 . 51661 1 522 . 1 . 1 43 43 ASN HD22 H 1 7.347 0.03 . 2 . . . . . 61 N HD22 . 51661 1 523 . 1 . 1 43 43 ASN CA C 13 52.672 0.33 . 1 . . . . . 61 N CA . 51661 1 524 . 1 . 1 43 43 ASN CB C 13 37.601 0.33 . 1 . . . . . 61 N CB . 51661 1 525 . 1 . 1 43 43 ASN N N 15 117.513 0.39 . 1 . . . . . 61 N N . 51661 1 526 . 1 . 1 43 43 ASN ND2 N 15 111.838 0.39 . 1 . . . . . 61 N ND2 . 51661 1 527 . 1 . 1 44 44 TYR H H 1 7.217 0.03 . 1 . . . . . 62 Y HN . 51661 1 528 . 1 . 1 44 44 TYR HA H 1 4.758 0.03 . 1 . . . . . 62 Y HA . 51661 1 529 . 1 . 1 44 44 TYR HB2 H 1 2.266 0.03 . 2 . . . . . 62 Y HB1 . 51661 1 530 . 1 . 1 44 44 TYR HB3 H 1 3.250 0.03 . 2 . . . . . 62 Y HB2 . 51661 1 531 . 1 . 1 44 44 TYR HD1 H 1 7.069 0.03 . 3 . . . . . 62 Y HD1 . 51661 1 532 . 1 . 1 44 44 TYR HD2 H 1 7.069 0.03 . 3 . . . . . 62 Y HD2 . 51661 1 533 . 1 . 1 44 44 TYR HE1 H 1 6.847 0.03 . 3 . . . . . 62 Y HE1 . 51661 1 534 . 1 . 1 44 44 TYR HE2 H 1 6.847 0.03 . 3 . . . . . 62 Y HE2 . 51661 1 535 . 1 . 1 44 44 TYR CA C 13 57.087 0.33 . 1 . . . . . 62 Y CA . 51661 1 536 . 1 . 1 44 44 TYR CB C 13 41.754 0.33 . 1 . . . . . 62 Y CB . 51661 1 537 . 1 . 1 44 44 TYR CD1 C 13 132.447 0.33 . 3 . . . . . 62 Y CD1 . 51661 1 538 . 1 . 1 44 44 TYR CD2 C 13 132.447 0.33 . 3 . . . . . 62 Y CD2 . 51661 1 539 . 1 . 1 44 44 TYR CE1 C 13 118.405 0.33 . 3 . . . . . 62 Y CE1 . 51661 1 540 . 1 . 1 44 44 TYR CE2 C 13 118.405 0.33 . 3 . . . . . 62 Y CE2 . 51661 1 541 . 1 . 1 44 44 TYR N N 15 116.348 0.39 . 1 . . . . . 62 Y N . 51661 1 542 . 1 . 1 45 45 LYS H H 1 8.771 0.03 . 1 . . . . . 63 K HN . 51661 1 543 . 1 . 1 45 45 LYS HA H 1 4.377 0.03 . 1 . . . . . 63 K HA . 51661 1 544 . 1 . 1 45 45 LYS HB2 H 1 1.946 0.03 . 2 . . . . . 63 K HB2 . 51661 1 545 . 1 . 1 45 45 LYS HG2 H 1 1.598 0.03 . 2 . . . . . 63 K HG1 . 51661 1 546 . 1 . 1 45 45 LYS HG3 H 1 1.598 0.03 . 2 . . . . . 63 K HG2 . 51661 1 547 . 1 . 1 45 45 LYS HD2 H 1 1.780 0.03 . 2 . . . . . 63 K HD1 . 51661 1 548 . 1 . 1 45 45 LYS HD3 H 1 1.788 0.03 . 2 . . . . . 63 K HD2 . 51661 1 549 . 1 . 1 45 45 LYS HE2 H 1 3.103 0.03 . 2 . . . . . 63 K HE1 . 51661 1 550 . 1 . 1 45 45 LYS HE3 H 1 3.103 0.03 . 2 . . . . . 63 K HE2 . 51661 1 551 . 1 . 1 45 45 LYS CA C 13 56.010 0.33 . 1 . . . . . 63 K CA . 51661 1 552 . 1 . 1 45 45 LYS CB C 13 33.234 0.33 . 1 . . . . . 63 K CB . 51661 1 553 . 1 . 1 45 45 LYS CG C 13 25.630 0.33 . 1 . . . . . 63 K CG . 51661 1 554 . 1 . 1 45 45 LYS CD C 13 28.585 0.33 . 1 . . . . . 63 K CD . 51661 1 555 . 1 . 1 45 45 LYS CE C 13 42.610 0.33 . 1 . . . . . 63 K CE . 51661 1 556 . 1 . 1 45 45 LYS N N 15 119.728 0.39 . 1 . . . . . 63 K N . 51661 1 557 . 1 . 1 46 46 GLN HE21 H 1 7.342 0.03 . 2 . . . . . 64 Q HE21 . 51661 1 558 . 1 . 1 46 46 GLN HE22 H 1 6.688 0.03 . 2 . . . . . 64 Q HE22 . 51661 1 559 . 1 . 1 46 46 GLN NE2 N 15 111.114 0.39 . 1 . . . . . 64 Q NE2 . 51661 1 560 . 1 . 1 48 48 GLN H H 1 7.242 0.03 . 1 . . . . . 66 Q HN . 51661 1 561 . 1 . 1 48 48 GLN HA H 1 4.061 0.03 . 1 . . . . . 66 Q HA . 51661 1 562 . 1 . 1 48 48 GLN HB2 H 1 1.974 0.03 . 2 . . . . . 66 Q HB1 . 51661 1 563 . 1 . 1 48 48 GLN HB3 H 1 1.974 0.03 . 2 . . . . . 66 Q HB2 . 51661 1 564 . 1 . 1 48 48 GLN HG2 H 1 2.573 0.03 . 2 . . . . . 66 Q HG1 . 51661 1 565 . 1 . 1 48 48 GLN HG3 H 1 2.425 0.03 . 2 . . . . . 66 Q HG2 . 51661 1 566 . 1 . 1 48 48 GLN HE21 H 1 7.227 0.03 . 2 . . . . . 66 Q HE21 . 51661 1 567 . 1 . 1 48 48 GLN HE22 H 1 7.897 0.03 . 2 . . . . . 66 Q HE22 . 51661 1 568 . 1 . 1 48 48 GLN CA C 13 58.618 0.33 . 1 . . . . . 66 Q CA . 51661 1 569 . 1 . 1 48 48 GLN CB C 13 29.500 0.33 . 1 . . . . . 66 Q CB . 51661 1 570 . 1 . 1 48 48 GLN CG C 13 35.389 0.33 . 1 . . . . . 66 Q CG . 51661 1 571 . 1 . 1 48 48 GLN N N 15 113.720 0.39 . 1 . . . . . 66 Q N . 51661 1 572 . 1 . 1 48 48 GLN NE2 N 15 113.270 0.39 . 1 . . . . . 66 Q NE2 . 51661 1 573 . 1 . 1 49 49 VAL H H 1 7.766 0.03 . 1 . . . . . 67 V HN . 51661 1 574 . 1 . 1 49 49 VAL HA H 1 3.374 0.03 . 1 . . . . . 67 V HA . 51661 1 575 . 1 . 1 49 49 VAL HB H 1 2.014 0.03 . 1 . . . . . 67 V HB . 51661 1 576 . 1 . 1 49 49 VAL HG11 H 1 0.710 0.03 . 2 . . . . . 67 V HG11 . 51661 1 577 . 1 . 1 49 49 VAL HG12 H 1 0.710 0.03 . 2 . . . . . 67 V HG11 . 51661 1 578 . 1 . 1 49 49 VAL HG13 H 1 0.710 0.03 . 2 . . . . . 67 V HG11 . 51661 1 579 . 1 . 1 49 49 VAL HG21 H 1 0.936 0.03 . 2 . . . . . 67 V HG21 . 51661 1 580 . 1 . 1 49 49 VAL HG22 H 1 0.936 0.03 . 2 . . . . . 67 V HG21 . 51661 1 581 . 1 . 1 49 49 VAL HG23 H 1 0.936 0.03 . 2 . . . . . 67 V HG21 . 51661 1 582 . 1 . 1 49 49 VAL CA C 13 66.990 0.33 . 1 . . . . . 67 V CA . 51661 1 583 . 1 . 1 49 49 VAL CB C 13 31.680 0.33 . 1 . . . . . 67 V CB . 51661 1 584 . 1 . 1 49 49 VAL CG1 C 13 22.504 0.33 . 1 . . . . . 67 V CG1 . 51661 1 585 . 1 . 1 49 49 VAL CG2 C 13 23.867 0.33 . 1 . . . . . 67 V CG2 . 51661 1 586 . 1 . 1 49 49 VAL N N 15 120.090 0.39 . 1 . . . . . 67 V N . 51661 1 587 . 1 . 1 50 50 VAL H H 1 8.295 0.03 . 1 . . . . . 68 V HN . 51661 1 588 . 1 . 1 50 50 VAL HA H 1 3.639 0.03 . 1 . . . . . 68 V HA . 51661 1 589 . 1 . 1 50 50 VAL HB H 1 2.272 0.03 . 1 . . . . . 68 V HB . 51661 1 590 . 1 . 1 50 50 VAL HG11 H 1 1.055 0.03 . 2 . . . . . 68 V HG11 . 51661 1 591 . 1 . 1 50 50 VAL HG12 H 1 1.055 0.03 . 2 . . . . . 68 V HG11 . 51661 1 592 . 1 . 1 50 50 VAL HG13 H 1 1.055 0.03 . 2 . . . . . 68 V HG11 . 51661 1 593 . 1 . 1 50 50 VAL CA C 13 66.963 0.33 . 1 . . . . . 68 V CA . 51661 1 594 . 1 . 1 50 50 VAL CB C 13 30.850 0.33 . 1 . . . . . 68 V CB . 51661 1 595 . 1 . 1 50 50 VAL CG1 C 13 22.504 0.33 . 1 . . . . . 68 V CG1 . 51661 1 596 . 1 . 1 50 50 VAL CG2 C 13 22.088 0.33 . 1 . . . . . 68 V CG2 . 51661 1 597 . 1 . 1 51 51 LYS H H 1 7.546 0.03 . 1 . . . . . 69 K HN . 51661 1 598 . 1 . 1 51 51 LYS HA H 1 4.023 0.03 . 1 . . . . . 69 K HA . 51661 1 599 . 1 . 1 51 51 LYS HB2 H 1 1.851 0.03 . 2 . . . . . 69 K HB1 . 51661 1 600 . 1 . 1 51 51 LYS HB3 H 1 1.851 0.03 . 2 . . . . . 69 K HB2 . 51661 1 601 . 1 . 1 51 51 LYS HG2 H 1 1.380 0.03 . 2 . . . . . 69 K HG1 . 51661 1 602 . 1 . 1 51 51 LYS HG3 H 1 1.520 0.03 . 2 . . . . . 69 K HG2 . 51661 1 603 . 1 . 1 51 51 LYS HD2 H 1 1.678 0.03 . 2 . . . . . 69 K HD2 . 51661 1 604 . 1 . 1 51 51 LYS HE2 H 1 2.893 0.03 . 2 . . . . . 69 K HE1 . 51661 1 605 . 1 . 1 51 51 LYS HE3 H 1 2.893 0.03 . 2 . . . . . 69 K HE2 . 51661 1 606 . 1 . 1 51 51 LYS CA C 13 59.980 0.33 . 1 . . . . . 69 K CA . 51661 1 607 . 1 . 1 51 51 LYS CB C 13 32.660 0.33 . 1 . . . . . 69 K CB . 51661 1 608 . 1 . 1 51 51 LYS CG C 13 24.984 0.33 . 1 . . . . . 69 K CG . 51661 1 609 . 1 . 1 51 51 LYS CE C 13 42.143 0.33 . 1 . . . . . 69 K CE . 51661 1 610 . 1 . 1 51 51 LYS N N 15 121.556 0.39 . 1 . . . . . 69 K N . 51661 1 611 . 1 . 1 52 52 ALA H H 1 7.301 0.03 . 1 . . . . . 70 A HN . 51661 1 612 . 1 . 1 52 52 ALA HA H 1 4.099 0.03 . 1 . . . . . 70 A HA . 51661 1 613 . 1 . 1 52 52 ALA HB1 H 1 1.304 0.03 . 1 . . . . . 70 A HB1 . 51661 1 614 . 1 . 1 52 52 ALA HB2 H 1 1.304 0.03 . 1 . . . . . 70 A HB1 . 51661 1 615 . 1 . 1 52 52 ALA HB3 H 1 1.304 0.03 . 1 . . . . . 70 A HB1 . 51661 1 616 . 1 . 1 52 52 ALA CA C 13 54.839 0.33 . 1 . . . . . 70 A CA . 51661 1 617 . 1 . 1 52 52 ALA CB C 13 18.393 0.33 . 1 . . . . . 70 A CB . 51661 1 618 . 1 . 1 52 52 ALA N N 15 120.676 0.39 . 1 . . . . . 70 A N . 51661 1 619 . 1 . 1 53 53 VAL H H 1 8.439 0.03 . 1 . . . . . 71 V HN . 51661 1 620 . 1 . 1 53 53 VAL HA H 1 3.802 0.03 . 1 . . . . . 71 V HA . 51661 1 621 . 1 . 1 53 53 VAL HB H 1 2.258 0.03 . 1 . . . . . 71 V HB . 51661 1 622 . 1 . 1 53 53 VAL HG11 H 1 1.049 0.03 . 2 . . . . . 71 V HG11 . 51661 1 623 . 1 . 1 53 53 VAL HG12 H 1 1.049 0.03 . 2 . . . . . 71 V HG11 . 51661 1 624 . 1 . 1 53 53 VAL HG13 H 1 1.049 0.03 . 2 . . . . . 71 V HG11 . 51661 1 625 . 1 . 1 53 53 VAL HG21 H 1 0.999 0.03 . 2 . . . . . 71 V HG21 . 51661 1 626 . 1 . 1 53 53 VAL HG22 H 1 0.999 0.03 . 2 . . . . . 71 V HG21 . 51661 1 627 . 1 . 1 53 53 VAL HG23 H 1 0.999 0.03 . 2 . . . . . 71 V HG21 . 51661 1 628 . 1 . 1 53 53 VAL CA C 13 66.858 0.33 . 1 . . . . . 71 V CA . 51661 1 629 . 1 . 1 53 53 VAL CB C 13 31.664 0.33 . 1 . . . . . 71 V CB . 51661 1 630 . 1 . 1 53 53 VAL CG1 C 13 21.917 0.33 . 1 . . . . . 71 V CG1 . 51661 1 631 . 1 . 1 53 53 VAL CG2 C 13 23.838 0.33 . 1 . . . . . 71 V CG2 . 51661 1 632 . 1 . 1 53 53 VAL N N 15 116.234 0.39 . 1 . . . . . 71 V N . 51661 1 633 . 1 . 1 54 54 LYS H H 1 8.104 0.03 . 1 . . . . . 72 K HN . 51661 1 634 . 1 . 1 54 54 LYS HA H 1 3.852 0.03 . 1 . . . . . 72 K HA . 51661 1 635 . 1 . 1 54 54 LYS HB2 H 1 2.199 0.03 . 2 . . . . . 72 K HB1 . 51661 1 636 . 1 . 1 54 54 LYS HB3 H 1 2.083 0.03 . 2 . . . . . 72 K HB2 . 51661 1 637 . 1 . 1 54 54 LYS HG2 H 1 1.602 0.03 . 2 . . . . . 72 K HG1 . 51661 1 638 . 1 . 1 54 54 LYS HG3 H 1 1.602 0.03 . 2 . . . . . 72 K HG2 . 51661 1 639 . 1 . 1 54 54 LYS CA C 13 60.626 0.33 . 1 . . . . . 72 K CA . 51661 1 640 . 1 . 1 54 54 LYS CB C 13 32.463 0.33 . 1 . . . . . 72 K CB . 51661 1 641 . 1 . 1 54 54 LYS CG C 13 25.609 0.33 . 1 . . . . . 72 K CG . 51661 1 642 . 1 . 1 54 54 LYS N N 15 122.360 0.39 . 1 . . . . . 72 K N . 51661 1 643 . 1 . 1 55 55 ILE H H 1 8.035 0.03 . 1 . . . . . 73 I HN . 51661 1 644 . 1 . 1 55 55 ILE HA H 1 3.750 0.03 . 1 . . . . . 73 I HA . 51661 1 645 . 1 . 1 55 55 ILE HB H 1 1.885 0.03 . 1 . . . . . 73 I HB . 51661 1 646 . 1 . 1 55 55 ILE HG12 H 1 1.679 0.03 . 1 . . . . . 73 I HG11 . 51661 1 647 . 1 . 1 55 55 ILE HG13 H 1 1.259 0.03 . 1 . . . . . 73 I HG12 . 51661 1 648 . 1 . 1 55 55 ILE HG21 H 1 0.932 0.03 . 1 . . . . . 73 I HG21 . 51661 1 649 . 1 . 1 55 55 ILE HG22 H 1 0.932 0.03 . 1 . . . . . 73 I HG21 . 51661 1 650 . 1 . 1 55 55 ILE HG23 H 1 0.932 0.03 . 1 . . . . . 73 I HG21 . 51661 1 651 . 1 . 1 55 55 ILE HD11 H 1 0.848 0.03 . 1 . . . . . 73 I HD11 . 51661 1 652 . 1 . 1 55 55 ILE HD12 H 1 0.848 0.03 . 1 . . . . . 73 I HD11 . 51661 1 653 . 1 . 1 55 55 ILE HD13 H 1 0.848 0.03 . 1 . . . . . 73 I HD11 . 51661 1 654 . 1 . 1 55 55 ILE CA C 13 64.855 0.33 . 1 . . . . . 73 I CA . 51661 1 655 . 1 . 1 55 55 ILE CB C 13 37.902 0.33 . 1 . . . . . 73 I CB . 51661 1 656 . 1 . 1 55 55 ILE CG1 C 13 28.863 0.33 . 1 . . . . . 73 I CG1 . 51661 1 657 . 1 . 1 55 55 ILE CG2 C 13 17.744 0.33 . 1 . . . . . 73 I CG2 . 51661 1 658 . 1 . 1 55 55 ILE CD1 C 13 12.965 0.33 . 1 . . . . . 73 I CD1 . 51661 1 659 . 1 . 1 55 55 ILE N N 15 120.123 0.39 . 1 . . . . . 73 I N . 51661 1 660 . 1 . 1 56 56 LEU H H 1 8.282 0.03 . 1 . . . . . 74 L HN . 51661 1 661 . 1 . 1 56 56 LEU HA H 1 3.988 0.03 . 1 . . . . . 74 L HA . 51661 1 662 . 1 . 1 56 56 LEU HB2 H 1 1.807 0.03 . 2 . . . . . 74 L HB1 . 51661 1 663 . 1 . 1 56 56 LEU HB3 H 1 0.555 0.03 . 2 . . . . . 74 L HB2 . 51661 1 664 . 1 . 1 56 56 LEU HG H 1 2.016 0.03 . 1 . . . . . 74 L HG . 51661 1 665 . 1 . 1 56 56 LEU HD11 H 1 0.814 0.03 . 2 . . . . . 74 L HD11 . 51661 1 666 . 1 . 1 56 56 LEU HD12 H 1 0.814 0.03 . 2 . . . . . 74 L HD11 . 51661 1 667 . 1 . 1 56 56 LEU HD13 H 1 0.814 0.03 . 2 . . . . . 74 L HD11 . 51661 1 668 . 1 . 1 56 56 LEU HD21 H 1 0.402 0.03 . 2 . . . . . 74 L HD21 . 51661 1 669 . 1 . 1 56 56 LEU HD22 H 1 0.402 0.03 . 2 . . . . . 74 L HD21 . 51661 1 670 . 1 . 1 56 56 LEU HD23 H 1 0.402 0.03 . 2 . . . . . 74 L HD21 . 51661 1 671 . 1 . 1 56 56 LEU CA C 13 57.726 0.33 . 1 . . . . . 74 L CA . 51661 1 672 . 1 . 1 56 56 LEU CB C 13 43.420 0.33 . 1 . . . . . 74 L CB . 51661 1 673 . 1 . 1 56 56 LEU CG C 13 27.711 0.33 . 1 . . . . . 74 L CG . 51661 1 674 . 1 . 1 56 56 LEU CD1 C 13 25.617 0.33 . 1 . . . . . 74 L CD1 . 51661 1 675 . 1 . 1 56 56 LEU CD2 C 13 23.287 0.33 . 1 . . . . . 74 L CD2 . 51661 1 676 . 1 . 1 56 56 LEU N N 15 118.545 0.39 . 1 . . . . . 74 L N . 51661 1 677 . 1 . 1 57 57 SER H H 1 8.082 0.03 . 1 . . . . . 75 S HN . 51661 1 678 . 1 . 1 57 57 SER HA H 1 4.562 0.03 . 1 . . . . . 75 S HA . 51661 1 679 . 1 . 1 57 57 SER HB2 H 1 4.134 0.03 . 2 . . . . . 75 S HB1 . 51661 1 680 . 1 . 1 57 57 SER HB3 H 1 4.134 0.03 . 2 . . . . . 75 S HB2 . 51661 1 681 . 1 . 1 57 57 SER CA C 13 60.726 0.33 . 1 . . . . . 75 S CA . 51661 1 682 . 1 . 1 57 57 SER CB C 13 63.092 0.33 . 1 . . . . . 75 S CB . 51661 1 683 . 1 . 1 57 57 SER N N 15 113.634 0.39 . 1 . . . . . 75 S N . 51661 1 684 . 1 . 1 58 58 GLN H H 1 8.000 0.03 . 1 . . . . . 76 Q HN . 51661 1 685 . 1 . 1 58 58 GLN HA H 1 4.277 0.03 . 1 . . . . . 76 Q HA . 51661 1 686 . 1 . 1 58 58 GLN HB2 H 1 2.290 0.03 . 2 . . . . . 76 Q HB1 . 51661 1 687 . 1 . 1 58 58 GLN HB3 H 1 2.469 0.03 . 2 . . . . . 76 Q HB2 . 51661 1 688 . 1 . 1 58 58 GLN HG2 H 1 2.695 0.03 . 2 . . . . . 76 Q HG1 . 51661 1 689 . 1 . 1 58 58 GLN HG3 H 1 2.545 0.03 . 2 . . . . . 76 Q HG2 . 51661 1 690 . 1 . 1 58 58 GLN HE21 H 1 7.519 0.03 . 2 . . . . . 76 Q HE21 . 51661 1 691 . 1 . 1 58 58 GLN HE22 H 1 6.839 0.03 . 2 . . . . . 76 Q HE22 . 51661 1 692 . 1 . 1 58 58 GLN CA C 13 58.646 0.33 . 1 . . . . . 76 Q CA . 51661 1 693 . 1 . 1 58 58 GLN CB C 13 28.279 0.33 . 1 . . . . . 76 Q CB . 51661 1 694 . 1 . 1 58 58 GLN CG C 13 34.625 0.33 . 1 . . . . . 76 Q CG . 51661 1 695 . 1 . 1 58 58 GLN N N 15 124.712 0.39 . 1 . . . . . 76 Q N . 51661 1 696 . 1 . 1 58 58 GLN NE2 N 15 110.672 0.39 . 1 . . . . . 76 Q NE2 . 51661 1 697 . 1 . 1 59 59 GLU H H 1 7.718 0.03 . 1 . . . . . 77 E HN . 51661 1 698 . 1 . 1 59 59 GLU HA H 1 4.338 0.03 . 1 . . . . . 77 E HA . 51661 1 699 . 1 . 1 59 59 GLU HB2 H 1 2.495 0.03 . 2 . . . . . 77 E HB1 . 51661 1 700 . 1 . 1 59 59 GLU HB3 H 1 2.049 0.03 . 2 . . . . . 77 E HB2 . 51661 1 701 . 1 . 1 59 59 GLU HG2 H 1 2.345 0.03 . 2 . . . . . 77 E HG1 . 51661 1 702 . 1 . 1 59 59 GLU HG3 H 1 2.606 0.03 . 2 . . . . . 77 E HG2 . 51661 1 703 . 1 . 1 59 59 GLU CA C 13 55.902 0.33 . 1 . . . . . 77 E CA . 51661 1 704 . 1 . 1 59 59 GLU CB C 13 29.794 0.33 . 1 . . . . . 77 E CB . 51661 1 705 . 1 . 1 59 59 GLU CG C 13 36.069 0.33 . 1 . . . . . 77 E CG . 51661 1 706 . 1 . 1 59 59 GLU N N 15 117.449 0.39 . 1 . . . . . 77 E N . 51661 1 707 . 1 . 1 60 60 ASP H H 1 7.941 0.03 . 1 . . . . . 78 D HN . 51661 1 708 . 1 . 1 60 60 ASP HA H 1 4.334 0.03 . 1 . . . . . 78 D HA . 51661 1 709 . 1 . 1 60 60 ASP HB2 H 1 2.970 0.03 . 2 . . . . . 78 D HB1 . 51661 1 710 . 1 . 1 60 60 ASP HB3 H 1 2.359 0.03 . 2 . . . . . 78 D HB2 . 51661 1 711 . 1 . 1 60 60 ASP CA C 13 55.861 0.33 . 1 . . . . . 78 D CA . 51661 1 712 . 1 . 1 60 60 ASP CB C 13 39.502 0.33 . 1 . . . . . 78 D CB . 51661 1 713 . 1 . 1 60 60 ASP N N 15 114.868 0.39 . 1 . . . . . 78 D N . 51661 1 714 . 1 . 1 61 61 TYR H H 1 7.815 0.03 . 1 . . . . . 79 Y HN . 51661 1 715 . 1 . 1 61 61 TYR HA H 1 4.074 0.03 . 1 . . . . . 79 Y HA . 51661 1 716 . 1 . 1 61 61 TYR HB2 H 1 1.966 0.03 . 2 . . . . . 79 Y HB1 . 51661 1 717 . 1 . 1 61 61 TYR HB3 H 1 2.650 0.03 . 2 . . . . . 79 Y HB2 . 51661 1 718 . 1 . 1 61 61 TYR HD1 H 1 7.118 0.03 . 3 . . . . . 79 Y HD1 . 51661 1 719 . 1 . 1 61 61 TYR HD2 H 1 7.118 0.03 . 3 . . . . . 79 Y HD2 . 51661 1 720 . 1 . 1 61 61 TYR HE1 H 1 6.717 0.03 . 3 . . . . . 79 Y HE1 . 51661 1 721 . 1 . 1 61 61 TYR HE2 H 1 6.717 0.03 . 3 . . . . . 79 Y HE2 . 51661 1 722 . 1 . 1 61 61 TYR CA C 13 61.993 0.33 . 1 . . . . . 79 Y CA . 51661 1 723 . 1 . 1 61 61 TYR CB C 13 38.611 0.33 . 1 . . . . . 79 Y CB . 51661 1 724 . 1 . 1 61 61 TYR CD1 C 13 133.114 0.33 . 3 . . . . . 79 Y CD1 . 51661 1 725 . 1 . 1 61 61 TYR CD2 C 13 133.114 0.33 . 3 . . . . . 79 Y CD2 . 51661 1 726 . 1 . 1 61 61 TYR CE1 C 13 117.900 0.33 . 3 . . . . . 79 Y CE1 . 51661 1 727 . 1 . 1 61 61 TYR CE2 C 13 117.900 0.33 . 3 . . . . . 79 Y CE2 . 51661 1 728 . 1 . 1 61 61 TYR N N 15 113.443 0.39 . 1 . . . . . 79 Y N . 51661 1 729 . 1 . 1 62 62 PHE H H 1 6.971 0.03 . 1 . . . . . 80 F HN . 51661 1 730 . 1 . 1 62 62 PHE HA H 1 4.569 0.03 . 1 . . . . . 80 F HA . 51661 1 731 . 1 . 1 62 62 PHE HB2 H 1 3.724 0.03 . 2 . . . . . 80 F HB2 . 51661 1 732 . 1 . 1 62 62 PHE HD1 H 1 6.700 0.03 . 3 . . . . . 80 F HD1 . 51661 1 733 . 1 . 1 62 62 PHE HD2 H 1 6.700 0.03 . 3 . . . . . 80 F HD2 . 51661 1 734 . 1 . 1 62 62 PHE HE1 H 1 7.044 0.03 . 3 . . . . . 80 F HE1 . 51661 1 735 . 1 . 1 62 62 PHE HE2 H 1 7.044 0.03 . 3 . . . . . 80 F HE2 . 51661 1 736 . 1 . 1 62 62 PHE CA C 13 54.635 0.33 . 1 . . . . . 80 F CA . 51661 1 737 . 1 . 1 62 62 PHE CB C 13 39.680 0.33 . 1 . . . . . 80 F CB . 51661 1 738 . 1 . 1 62 62 PHE CD1 C 13 130.351 0.33 . 3 . . . . . 80 F CD1 . 51661 1 739 . 1 . 1 62 62 PHE CE1 C 13 132.574 0.33 . 3 . . . . . 80 F CE1 . 51661 1 740 . 1 . 1 62 62 PHE N N 15 129.615 0.39 . 1 . . . . . 80 F N . 51661 1 741 . 1 . 1 63 63 ASP H H 1 9.301 0.03 . 1 . . . . . 81 D HN . 51661 1 742 . 1 . 1 63 63 ASP HA H 1 5.352 0.03 . 1 . . . . . 81 D HA . 51661 1 743 . 1 . 1 63 63 ASP HB2 H 1 2.751 0.03 . 2 . . . . . 81 D HB1 . 51661 1 744 . 1 . 1 63 63 ASP HB3 H 1 2.751 0.03 . 2 . . . . . 81 D HB2 . 51661 1 745 . 1 . 1 63 63 ASP CA C 13 53.163 0.33 . 1 . . . . . 81 D CA . 51661 1 746 . 1 . 1 63 63 ASP CB C 13 43.955 0.33 . 1 . . . . . 81 D CB . 51661 1 747 . 1 . 1 63 63 ASP N N 15 117.911 0.39 . 1 . . . . . 81 D N . 51661 1 748 . 1 . 1 64 64 LYS H H 1 8.731 0.03 . 1 . . . . . 82 K HN . 51661 1 749 . 1 . 1 64 64 LYS HA H 1 5.382 0.03 . 1 . . . . . 82 K HA . 51661 1 750 . 1 . 1 64 64 LYS HB2 H 1 1.646 0.03 . 2 . . . . . 82 K HB1 . 51661 1 751 . 1 . 1 64 64 LYS HB3 H 1 1.834 0.03 . 2 . . . . . 82 K HB2 . 51661 1 752 . 1 . 1 64 64 LYS HG2 H 1 1.293 0.03 . 2 . . . . . 82 K HG1 . 51661 1 753 . 1 . 1 64 64 LYS HG3 H 1 1.293 0.03 . 2 . . . . . 82 K HG2 . 51661 1 754 . 1 . 1 64 64 LYS CA C 13 55.084 0.33 . 1 . . . . . 82 K CA . 51661 1 755 . 1 . 1 64 64 LYS CB C 13 35.850 0.33 . 1 . . . . . 82 K CB . 51661 1 756 . 1 . 1 64 64 LYS CG C 13 24.848 0.33 . 1 . . . . . 82 K CG . 51661 1 757 . 1 . 1 64 64 LYS CD C 13 29.198 0.33 . 1 . . . . . 82 K CD . 51661 1 758 . 1 . 1 64 64 LYS CE C 13 42.203 0.33 . 1 . . . . . 82 K CE . 51661 1 759 . 1 . 1 64 64 LYS N N 15 119.553 0.39 . 1 . . . . . 82 K N . 51661 1 760 . 1 . 1 65 65 LYS H H 1 9.177 0.03 . 1 . . . . . 83 K HN . 51661 1 761 . 1 . 1 65 65 LYS HA H 1 4.761 0.03 . 1 . . . . . 83 K HA . 51661 1 762 . 1 . 1 65 65 LYS HB2 H 1 1.760 0.03 . 2 . . . . . 83 K HB1 . 51661 1 763 . 1 . 1 65 65 LYS HB3 H 1 1.829 0.03 . 2 . . . . . 83 K HB2 . 51661 1 764 . 1 . 1 65 65 LYS HG2 H 1 1.393 0.03 . 2 . . . . . 83 K HG1 . 51661 1 765 . 1 . 1 65 65 LYS HG3 H 1 1.266 0.03 . 2 . . . . . 83 K HG2 . 51661 1 766 . 1 . 1 65 65 LYS HD2 H 1 1.703 0.03 . 2 . . . . . 83 K HD1 . 51661 1 767 . 1 . 1 65 65 LYS HD3 H 1 1.703 0.03 . 2 . . . . . 83 K HD2 . 51661 1 768 . 1 . 1 65 65 LYS HE2 H 1 2.950 0.03 . 2 . . . . . 83 K HE1 . 51661 1 769 . 1 . 1 65 65 LYS HE3 H 1 3.011 0.03 . 2 . . . . . 83 K HE2 . 51661 1 770 . 1 . 1 65 65 LYS CA C 13 54.921 0.33 . 1 . . . . . 83 K CA . 51661 1 771 . 1 . 1 65 65 LYS CB C 13 36.373 0.33 . 1 . . . . . 83 K CB . 51661 1 772 . 1 . 1 65 65 LYS CG C 13 24.103 0.33 . 1 . . . . . 83 K CG . 51661 1 773 . 1 . 1 65 65 LYS CD C 13 29.421 0.33 . 1 . . . . . 83 K CD . 51661 1 774 . 1 . 1 65 65 LYS CE C 13 42.225 0.33 . 1 . . . . . 83 K CE . 51661 1 775 . 1 . 1 65 65 LYS N N 15 122.657 0.39 . 1 . . . . . 83 K N . 51661 1 776 . 1 . 1 66 66 ARG H H 1 8.610 0.03 . 1 . . . . . 84 R HN . 51661 1 777 . 1 . 1 66 66 ARG HA H 1 4.771 0.03 . 1 . . . . . 84 R HA . 51661 1 778 . 1 . 1 66 66 ARG HG2 H 1 1.586 0.03 . 2 . . . . . 84 R HG1 . 51661 1 779 . 1 . 1 66 66 ARG HG3 H 1 1.831 0.03 . 2 . . . . . 84 R HG2 . 51661 1 780 . 1 . 1 66 66 ARG HD2 H 1 3.165 0.03 . 2 . . . . . 84 R HD1 . 51661 1 781 . 1 . 1 66 66 ARG HD3 H 1 3.165 0.03 . 2 . . . . . 84 R HD2 . 51661 1 782 . 1 . 1 66 66 ARG CA C 13 54.757 0.33 . 1 . . . . . 84 R CA . 51661 1 783 . 1 . 1 66 66 ARG CB C 13 31.497 0.33 . 1 . . . . . 84 R CB . 51661 1 784 . 1 . 1 66 66 ARG CG C 13 27.000 0.33 . 1 . . . . . 84 R CG . 51661 1 785 . 1 . 1 66 66 ARG CD C 13 42.805 0.33 . 1 . . . . . 84 R CD . 51661 1 786 . 1 . 1 66 66 ARG N N 15 120.837 0.39 . 1 . . . . . 84 R N . 51661 1 787 . 1 . 1 67 67 ASN H H 1 8.270 0.03 . 1 . . . . . 85 N HN . 51661 1 788 . 1 . 1 67 67 ASN HA H 1 4.284 0.03 . 1 . . . . . 85 N HA . 51661 1 789 . 1 . 1 67 67 ASN HB2 H 1 3.405 0.03 . 2 . . . . . 85 N HB1 . 51661 1 790 . 1 . 1 67 67 ASN HB3 H 1 3.405 0.03 . 2 . . . . . 85 N HB2 . 51661 1 791 . 1 . 1 67 67 ASN HD21 H 1 7.427 0.03 . 2 . . . . . 85 N HD21 . 51661 1 792 . 1 . 1 67 67 ASN HD22 H 1 6.782 0.03 . 2 . . . . . 85 N HD22 . 51661 1 793 . 1 . 1 67 67 ASN CA C 13 53.163 0.33 . 1 . . . . . 85 N CA . 51661 1 794 . 1 . 1 67 67 ASN CB C 13 39.234 0.33 . 1 . . . . . 85 N CB . 51661 1 795 . 1 . 1 67 67 ASN N N 15 122.539 0.39 . 1 . . . . . 85 N N . 51661 1 796 . 1 . 1 67 67 ASN ND2 N 15 112.168 0.39 . 1 . . . . . 85 N ND2 . 51661 1 797 . 1 . 1 68 68 GLU H H 1 9.021 0.03 . 1 . . . . . 86 E HN . 51661 1 798 . 1 . 1 68 68 GLU HA H 1 3.950 0.03 . 1 . . . . . 86 E HA . 51661 1 799 . 1 . 1 68 68 GLU HB2 H 1 1.846 0.03 . 2 . . . . . 86 E HB1 . 51661 1 800 . 1 . 1 68 68 GLU HB3 H 1 1.846 0.03 . 2 . . . . . 86 E HB2 . 51661 1 801 . 1 . 1 68 68 GLU HG2 H 1 2.093 0.03 . 2 . . . . . 86 E HG1 . 51661 1 802 . 1 . 1 68 68 GLU HG3 H 1 2.134 0.03 . 2 . . . . . 86 E HG2 . 51661 1 803 . 1 . 1 68 68 GLU CA C 13 59.172 0.33 . 1 . . . . . 86 E CA . 51661 1 804 . 1 . 1 68 68 GLU CB C 13 29.448 0.33 . 1 . . . . . 86 E CB . 51661 1 805 . 1 . 1 68 68 GLU CG C 13 36.105 0.33 . 1 . . . . . 86 E CG . 51661 1 806 . 1 . 1 68 68 GLU N N 15 125.773 0.39 . 1 . . . . . 86 E N . 51661 1 807 . 1 . 1 69 69 HIS H H 1 7.875 0.03 . 1 . . . . . 87 H HN . 51661 1 808 . 1 . 1 69 69 HIS HA H 1 4.571 0.03 . 1 . . . . . 87 H HA . 51661 1 809 . 1 . 1 69 69 HIS HB2 H 1 3.288 0.03 . 2 . . . . . 87 H HB1 . 51661 1 810 . 1 . 1 69 69 HIS HB3 H 1 3.072 0.03 . 2 . . . . . 87 H HB2 . 51661 1 811 . 1 . 1 69 69 HIS HD2 H 1 7.284 0.03 . 1 . . . . . 87 H HD2 . 51661 1 812 . 1 . 1 69 69 HIS CA C 13 56.631 0.33 . 1 . . . . . 87 H CA . 51661 1 813 . 1 . 1 69 69 HIS CB C 13 29.796 0.33 . 1 . . . . . 87 H CB . 51661 1 814 . 1 . 1 69 69 HIS N N 15 114.584 0.39 . 1 . . . . . 87 H N . 51661 1 815 . 1 . 1 70 70 ASP H H 1 7.076 0.03 . 1 . . . . . 88 D HN . 51661 1 816 . 1 . 1 70 70 ASP HB2 H 1 2.437 0.03 . 2 . . . . . 88 D HB1 . 51661 1 817 . 1 . 1 70 70 ASP HB3 H 1 2.951 0.03 . 2 . . . . . 88 D HB2 . 51661 1 818 . 1 . 1 70 70 ASP CA C 13 54.729 0.33 . 1 . . . . . 88 D CA . 51661 1 819 . 1 . 1 70 70 ASP CB C 13 42.007 0.33 . 1 . . . . . 88 D CB . 51661 1 820 . 1 . 1 70 70 ASP N N 15 116.425 0.39 . 1 . . . . . 88 D N . 51661 1 821 . 1 . 1 71 71 GLN H H 1 8.712 0.03 . 1 . . . . . 89 Q HN . 51661 1 822 . 1 . 1 71 71 GLN HA H 1 4.405 0.03 . 1 . . . . . 89 Q HA . 51661 1 823 . 1 . 1 71 71 GLN HB2 H 1 1.843 0.03 . 2 . . . . . 89 Q HB1 . 51661 1 824 . 1 . 1 71 71 GLN HB3 H 1 2.091 0.03 . 2 . . . . . 89 Q HB2 . 51661 1 825 . 1 . 1 71 71 GLN HG2 H 1 2.342 0.03 . 2 . . . . . 89 Q HG1 . 51661 1 826 . 1 . 1 71 71 GLN HG3 H 1 2.555 0.03 . 2 . . . . . 89 Q HG2 . 51661 1 827 . 1 . 1 71 71 GLN HE21 H 1 7.397 0.03 . 2 . . . . . 89 Q HE21 . 51661 1 828 . 1 . 1 71 71 GLN HE22 H 1 6.754 0.03 . 2 . . . . . 89 Q HE22 . 51661 1 829 . 1 . 1 71 71 GLN CA C 13 57.227 0.33 . 1 . . . . . 89 Q CA . 51661 1 830 . 1 . 1 71 71 GLN CB C 13 28.262 0.33 . 1 . . . . . 89 Q CB . 51661 1 831 . 1 . 1 71 71 GLN CG C 13 34.958 0.33 . 1 . . . . . 89 Q CG . 51661 1 832 . 1 . 1 71 71 GLN N N 15 123.465 0.39 . 1 . . . . . 89 Q N . 51661 1 833 . 1 . 1 71 71 GLN NE2 N 15 111.519 0.39 . 1 . . . . . 89 Q NE2 . 51661 1 834 . 1 . 1 72 72 ARG H H 1 8.194 0.03 . 1 . . . . . 90 R HN . 51661 1 835 . 1 . 1 72 72 ARG HA H 1 4.163 0.03 . 1 . . . . . 90 R HA . 51661 1 836 . 1 . 1 72 72 ARG CA C 13 56.037 0.33 . 1 . . . . . 90 R CA . 51661 1 837 . 1 . 1 72 72 ARG N N 15 117.003 0.39 . 1 . . . . . 90 R N . 51661 1 838 . 1 . 1 73 73 THR H H 1 8.984 0.03 . 1 . . . . . 91 T HN . 51661 1 839 . 1 . 1 73 73 THR HA H 1 4.510 0.03 . 1 . . . . . 91 T HA . 51661 1 840 . 1 . 1 73 73 THR HG21 H 1 1.284 0.03 . 1 . . . . . 91 T HG21 . 51661 1 841 . 1 . 1 73 73 THR HG22 H 1 1.284 0.03 . 1 . . . . . 91 T HG21 . 51661 1 842 . 1 . 1 73 73 THR HG23 H 1 1.284 0.03 . 1 . . . . . 91 T HG21 . 51661 1 843 . 1 . 1 73 73 THR CA C 13 60.674 0.33 . 1 . . . . . 91 T CA . 51661 1 844 . 1 . 1 73 73 THR CB C 13 69.453 0.33 . 1 . . . . . 91 T CB . 51661 1 845 . 1 . 1 73 73 THR CG2 C 13 22.797 0.33 . 1 . . . . . 91 T CG2 . 51661 1 846 . 1 . 1 73 73 THR N N 15 122.728 0.39 . 1 . . . . . 91 T N . 51661 1 847 . 1 . 1 74 74 VAL H H 1 8.149 0.03 . 1 . . . . . 92 V HN . 51661 1 848 . 1 . 1 74 74 VAL HA H 1 4.589 0.03 . 1 . . . . . 92 V HA . 51661 1 849 . 1 . 1 74 74 VAL HB H 1 2.070 0.03 . 1 . . . . . 92 V HB . 51661 1 850 . 1 . 1 74 74 VAL HG11 H 1 0.970 0.03 . 2 . . . . . 92 V HG11 . 51661 1 851 . 1 . 1 74 74 VAL HG12 H 1 0.970 0.03 . 2 . . . . . 92 V HG11 . 51661 1 852 . 1 . 1 74 74 VAL HG13 H 1 0.970 0.03 . 2 . . . . . 92 V HG11 . 51661 1 853 . 1 . 1 74 74 VAL HG21 H 1 0.909 0.03 . 2 . . . . . 92 V HG21 . 51661 1 854 . 1 . 1 74 74 VAL HG22 H 1 0.909 0.03 . 2 . . . . . 92 V HG21 . 51661 1 855 . 1 . 1 74 74 VAL HG23 H 1 0.909 0.03 . 2 . . . . . 92 V HG21 . 51661 1 856 . 1 . 1 74 74 VAL CA C 13 61.789 0.33 . 1 . . . . . 92 V CA . 51661 1 857 . 1 . 1 74 74 VAL CB C 13 34.067 0.33 . 1 . . . . . 92 V CB . 51661 1 858 . 1 . 1 74 74 VAL CG1 C 13 23.282 0.33 . 1 . . . . . 92 V CG1 . 51661 1 859 . 1 . 1 74 74 VAL CG2 C 13 23.104 0.33 . 1 . . . . . 92 V CG2 . 51661 1 860 . 1 . 1 74 74 VAL N N 15 131.463 0.39 . 1 . . . . . 92 V N . 51661 1 861 . 1 . 1 75 75 LEU H H 1 9.266 0.03 . 1 . . . . . 93 L HN . 51661 1 862 . 1 . 1 75 75 LEU HA H 1 5.028 0.03 . 1 . . . . . 93 L HA . 51661 1 863 . 1 . 1 75 75 LEU HB2 H 1 1.241 0.03 . 2 . . . . . 93 L HB1 . 51661 1 864 . 1 . 1 75 75 LEU HB3 H 1 1.406 0.03 . 2 . . . . . 93 L HB2 . 51661 1 865 . 1 . 1 75 75 LEU HG H 1 1.276 0.03 . 1 . . . . . 93 L HG . 51661 1 866 . 1 . 1 75 75 LEU HD11 H 1 0.660 0.03 . 2 . . . . . 93 L HD11 . 51661 1 867 . 1 . 1 75 75 LEU HD12 H 1 0.660 0.03 . 2 . . . . . 93 L HD11 . 51661 1 868 . 1 . 1 75 75 LEU HD13 H 1 0.660 0.03 . 2 . . . . . 93 L HD11 . 51661 1 869 . 1 . 1 75 75 LEU HD21 H 1 0.436 0.03 . 2 . . . . . 93 L HD21 . 51661 1 870 . 1 . 1 75 75 LEU HD22 H 1 0.436 0.03 . 2 . . . . . 93 L HD21 . 51661 1 871 . 1 . 1 75 75 LEU HD23 H 1 0.436 0.03 . 2 . . . . . 93 L HD21 . 51661 1 872 . 1 . 1 75 75 LEU CA C 13 53.286 0.33 . 1 . . . . . 93 L CA . 51661 1 873 . 1 . 1 75 75 LEU CB C 13 45.733 0.33 . 1 . . . . . 93 L CB . 51661 1 874 . 1 . 1 75 75 LEU CG C 13 27.582 0.33 . 1 . . . . . 93 L CG . 51661 1 875 . 1 . 1 75 75 LEU CD1 C 13 25.439 0.33 . 1 . . . . . 93 L CD1 . 51661 1 876 . 1 . 1 75 75 LEU CD2 C 13 24.391 0.33 . 1 . . . . . 93 L CD2 . 51661 1 877 . 1 . 1 75 75 LEU N N 15 129.723 0.39 . 1 . . . . . 93 L N . 51661 1 878 . 1 . 1 76 76 ILE H H 1 9.141 0.03 . 1 . . . . . 94 I HN . 51661 1 879 . 1 . 1 76 76 ILE HA H 1 4.879 0.03 . 1 . . . . . 94 I HA . 51661 1 880 . 1 . 1 76 76 ILE HB H 1 1.496 0.03 . 1 . . . . . 94 I HB . 51661 1 881 . 1 . 1 76 76 ILE HG12 H 1 0.812 0.03 . 1 . . . . . 94 I HG11 . 51661 1 882 . 1 . 1 76 76 ILE HG13 H 1 1.019 0.03 . 1 . . . . . 94 I HG12 . 51661 1 883 . 1 . 1 76 76 ILE HG21 H 1 -0.020 0.03 . 1 . . . . . 94 I HG21 . 51661 1 884 . 1 . 1 76 76 ILE HG22 H 1 -0.020 0.03 . 1 . . . . . 94 I HG21 . 51661 1 885 . 1 . 1 76 76 ILE HG23 H 1 -0.020 0.03 . 1 . . . . . 94 I HG21 . 51661 1 886 . 1 . 1 76 76 ILE HD11 H 1 0.406 0.03 . 1 . . . . . 94 I HD11 . 51661 1 887 . 1 . 1 76 76 ILE HD12 H 1 0.406 0.03 . 1 . . . . . 94 I HD11 . 51661 1 888 . 1 . 1 76 76 ILE HD13 H 1 0.406 0.03 . 1 . . . . . 94 I HD11 . 51661 1 889 . 1 . 1 76 76 ILE CA C 13 58.886 0.33 . 1 . . . . . 94 I CA . 51661 1 890 . 1 . 1 76 76 ILE CB C 13 39.604 0.33 . 1 . . . . . 94 I CB . 51661 1 891 . 1 . 1 76 76 ILE CG1 C 13 27.921 0.33 . 1 . . . . . 94 I CG1 . 51661 1 892 . 1 . 1 76 76 ILE CG2 C 13 16.811 0.33 . 1 . . . . . 94 I CG2 . 51661 1 893 . 1 . 1 76 76 ILE CD1 C 13 13.452 0.33 . 1 . . . . . 94 I CD1 . 51661 1 894 . 1 . 1 76 76 ILE N N 15 122.247 0.39 . 1 . . . . . 94 I N . 51661 1 895 . 1 . 1 77 77 LEU H H 1 8.980 0.03 . 1 . . . . . 95 L HN . 51661 1 896 . 1 . 1 77 77 LEU HA H 1 5.073 0.03 . 1 . . . . . 95 L HA . 51661 1 897 . 1 . 1 77 77 LEU HB2 H 1 1.680 0.03 . 2 . . . . . 95 L HB1 . 51661 1 898 . 1 . 1 77 77 LEU HB3 H 1 1.785 0.03 . 2 . . . . . 95 L HB2 . 51661 1 899 . 1 . 1 77 77 LEU HG H 1 1.639 0.03 . 1 . . . . . 95 L HG . 51661 1 900 . 1 . 1 77 77 LEU HD11 H 1 0.937 0.03 . 2 . . . . . 95 L HD11 . 51661 1 901 . 1 . 1 77 77 LEU HD12 H 1 0.937 0.03 . 2 . . . . . 95 L HD11 . 51661 1 902 . 1 . 1 77 77 LEU HD13 H 1 0.937 0.03 . 2 . . . . . 95 L HD11 . 51661 1 903 . 1 . 1 77 77 LEU HD21 H 1 0.897 0.03 . 2 . . . . . 95 L HD21 . 51661 1 904 . 1 . 1 77 77 LEU HD22 H 1 0.897 0.03 . 2 . . . . . 95 L HD21 . 51661 1 905 . 1 . 1 77 77 LEU HD23 H 1 0.897 0.03 . 2 . . . . . 95 L HD21 . 51661 1 906 . 1 . 1 77 77 LEU CA C 13 53.981 0.33 . 1 . . . . . 95 L CA . 51661 1 907 . 1 . 1 77 77 LEU CB C 13 44.400 0.33 . 1 . . . . . 95 L CB . 51661 1 908 . 1 . 1 77 77 LEU CG C 13 28.205 0.33 . 1 . . . . . 95 L CG . 51661 1 909 . 1 . 1 77 77 LEU CD1 C 13 25.053 0.33 . 1 . . . . . 95 L CD1 . 51661 1 910 . 1 . 1 77 77 LEU CD2 C 13 25.630 0.33 . 1 . . . . . 95 L CD2 . 51661 1 911 . 1 . 1 77 77 LEU N N 15 128.209 0.39 . 1 . . . . . 95 L N . 51661 1 912 . 1 . 1 78 78 VAL H H 1 8.229 0.03 . 1 . . . . . 96 V HN . 51661 1 913 . 1 . 1 78 78 VAL HA H 1 4.771 0.03 . 1 . . . . . 96 V HA . 51661 1 914 . 1 . 1 78 78 VAL HB H 1 2.219 0.03 . 1 . . . . . 96 V HB . 51661 1 915 . 1 . 1 78 78 VAL HG11 H 1 1.124 0.03 . 2 . . . . . 96 V HG11 . 51661 1 916 . 1 . 1 78 78 VAL HG12 H 1 1.124 0.03 . 2 . . . . . 96 V HG11 . 51661 1 917 . 1 . 1 78 78 VAL HG13 H 1 1.124 0.03 . 2 . . . . . 96 V HG11 . 51661 1 918 . 1 . 1 78 78 VAL HG21 H 1 1.000 0.03 . 2 . . . . . 96 V HG21 . 51661 1 919 . 1 . 1 78 78 VAL HG22 H 1 1.000 0.03 . 2 . . . . . 96 V HG21 . 51661 1 920 . 1 . 1 78 78 VAL HG23 H 1 1.000 0.03 . 2 . . . . . 96 V HG21 . 51661 1 921 . 1 . 1 78 78 VAL CA C 13 60.848 0.33 . 1 . . . . . 96 V CA . 51661 1 922 . 1 . 1 78 78 VAL CB C 13 34.158 0.33 . 1 . . . . . 96 V CB . 51661 1 923 . 1 . 1 78 78 VAL CG1 C 13 22.104 0.33 . 1 . . . . . 96 V CG1 . 51661 1 924 . 1 . 1 78 78 VAL CG2 C 13 21.442 0.33 . 1 . . . . . 96 V CG2 . 51661 1 925 . 1 . 1 78 78 VAL N N 15 121.134 0.39 . 1 . . . . . 96 V N . 51661 1 926 . 1 . 1 79 79 ASN H H 1 9.438 0.03 . 1 . . . . . 97 N HN . 51661 1 927 . 1 . 1 79 79 ASN HA H 1 4.980 0.03 . 1 . . . . . 97 N HA . 51661 1 928 . 1 . 1 79 79 ASN HB2 H 1 3.380 0.03 . 2 . . . . . 97 N HB1 . 51661 1 929 . 1 . 1 79 79 ASN HB3 H 1 2.965 0.03 . 2 . . . . . 97 N HB2 . 51661 1 930 . 1 . 1 79 79 ASN HD21 H 1 7.258 0.03 . 2 . . . . . 97 N HD21 . 51661 1 931 . 1 . 1 79 79 ASN HD22 H 1 7.088 0.03 . 2 . . . . . 97 N HD22 . 51661 1 932 . 1 . 1 79 79 ASN CA C 13 51.630 0.33 . 1 . . . . . 97 N CA . 51661 1 933 . 1 . 1 79 79 ASN CB C 13 38.211 0.33 . 1 . . . . . 97 N CB . 51661 1 934 . 1 . 1 79 79 ASN N N 15 127.288 0.39 . 1 . . . . . 97 N N . 51661 1 935 . 1 . 1 79 79 ASN ND2 N 15 112.172 0.39 . 1 . . . . . 97 N ND2 . 51661 1 936 . 1 . 1 80 80 ALA H H 1 8.467 0.03 . 1 . . . . . 98 A HN . 51661 1 937 . 1 . 1 80 80 ALA HA H 1 4.124 0.03 . 1 . . . . . 98 A HA . 51661 1 938 . 1 . 1 80 80 ALA HB1 H 1 1.499 0.03 . 1 . . . . . 98 A HB1 . 51661 1 939 . 1 . 1 80 80 ALA HB2 H 1 1.499 0.03 . 1 . . . . . 98 A HB1 . 51661 1 940 . 1 . 1 80 80 ALA HB3 H 1 1.499 0.03 . 1 . . . . . 98 A HB1 . 51661 1 941 . 1 . 1 80 80 ALA CA C 13 56.069 0.33 . 1 . . . . . 98 A CA . 51661 1 942 . 1 . 1 80 80 ALA CB C 13 18.694 0.33 . 1 . . . . . 98 A CB . 51661 1 943 . 1 . 1 80 80 ALA N N 15 119.229 0.39 . 1 . . . . . 98 A N . 51661 1 944 . 1 . 1 81 81 GLN H H 1 8.170 0.03 . 1 . . . . . 99 Q HN . 51661 1 945 . 1 . 1 81 81 GLN HA H 1 4.108 0.03 . 1 . . . . . 99 Q HA . 51661 1 946 . 1 . 1 81 81 GLN HB2 H 1 2.131 0.03 . 2 . . . . . 99 Q HB1 . 51661 1 947 . 1 . 1 81 81 GLN HB3 H 1 2.220 0.03 . 2 . . . . . 99 Q HB2 . 51661 1 948 . 1 . 1 81 81 GLN HG2 H 1 2.463 0.03 . 2 . . . . . 99 Q HG1 . 51661 1 949 . 1 . 1 81 81 GLN HG3 H 1 2.463 0.03 . 2 . . . . . 99 Q HG2 . 51661 1 950 . 1 . 1 81 81 GLN HE21 H 1 7.515 0.03 . 2 . . . . . 99 Q HE21 . 51661 1 951 . 1 . 1 81 81 GLN HE22 H 1 6.890 0.03 . 2 . . . . . 99 Q HE22 . 51661 1 952 . 1 . 1 81 81 GLN CA C 13 59.136 0.33 . 1 . . . . . 99 Q CA . 51661 1 953 . 1 . 1 81 81 GLN CB C 13 28.194 0.33 . 1 . . . . . 99 Q CB . 51661 1 954 . 1 . 1 81 81 GLN CG C 13 34.277 0.33 . 1 . . . . . 99 Q CG . 51661 1 955 . 1 . 1 81 81 GLN N N 15 119.090 0.39 . 1 . . . . . 99 Q N . 51661 1 956 . 1 . 1 81 81 GLN NE2 N 15 111.934 0.39 . 1 . . . . . 99 Q NE2 . 51661 1 957 . 1 . 1 82 82 GLN H H 1 8.784 0.03 . 1 . . . . . 100 Q HN . 51661 1 958 . 1 . 1 82 82 GLN HA H 1 3.887 0.03 . 1 . . . . . 100 Q HA . 51661 1 959 . 1 . 1 82 82 GLN HB2 H 1 2.517 0.03 . 2 . . . . . 100 Q HB1 . 51661 1 960 . 1 . 1 82 82 GLN HB3 H 1 2.225 0.03 . 2 . . . . . 100 Q HB2 . 51661 1 961 . 1 . 1 82 82 GLN HG2 H 1 2.369 0.03 . 2 . . . . . 100 Q HG1 . 51661 1 962 . 1 . 1 82 82 GLN HG3 H 1 2.369 0.03 . 2 . . . . . 100 Q HG2 . 51661 1 963 . 1 . 1 82 82 GLN HE21 H 1 6.904 0.03 . 2 . . . . . 100 Q HE21 . 51661 1 964 . 1 . 1 82 82 GLN HE22 H 1 6.229 0.03 . 2 . . . . . 100 Q HE22 . 51661 1 965 . 1 . 1 82 82 GLN CA C 13 59.091 0.33 . 1 . . . . . 100 Q CA . 51661 1 966 . 1 . 1 82 82 GLN CB C 13 26.401 0.33 . 1 . . . . . 100 Q CB . 51661 1 967 . 1 . 1 82 82 GLN CG C 13 33.864 0.33 . 1 . . . . . 100 Q CG . 51661 1 968 . 1 . 1 82 82 GLN N N 15 123.829 0.39 . 1 . . . . . 100 Q N . 51661 1 969 . 1 . 1 82 82 GLN NE2 N 15 109.583 0.39 . 1 . . . . . 100 Q NE2 . 51661 1 970 . 1 . 1 83 83 ARG H H 1 8.857 0.03 . 1 . . . . . 101 R HN . 51661 1 971 . 1 . 1 83 83 ARG HA H 1 3.820 0.03 . 1 . . . . . 101 R HA . 51661 1 972 . 1 . 1 83 83 ARG HB2 H 1 1.977 0.03 . 2 . . . . . 101 R HB2 . 51661 1 973 . 1 . 1 83 83 ARG HG2 H 1 1.710 0.03 . 2 . . . . . 101 R HG1 . 51661 1 974 . 1 . 1 83 83 ARG CA C 13 60.399 0.33 . 1 . . . . . 101 R CA . 51661 1 975 . 1 . 1 83 83 ARG CB C 13 32.360 0.33 . 1 . . . . . 101 R CB . 51661 1 976 . 1 . 1 83 83 ARG CG C 13 25.456 0.33 . 1 . . . . . 101 R CG . 51661 1 977 . 1 . 1 83 83 ARG CD C 13 42.561 0.33 . 1 . . . . . 101 R CD . 51661 1 978 . 1 . 1 83 83 ARG N N 15 119.057 0.39 . 1 . . . . . 101 R N . 51661 1 979 . 1 . 1 84 84 LYS H H 1 7.509 0.03 . 1 . . . . . 102 K HN . 51661 1 980 . 1 . 1 84 84 LYS HA H 1 4.138 0.03 . 1 . . . . . 102 K HA . 51661 1 981 . 1 . 1 84 84 LYS HB2 H 1 1.983 0.03 . 2 . . . . . 102 K HB1 . 51661 1 982 . 1 . 1 84 84 LYS HB3 H 1 1.983 0.03 . 2 . . . . . 102 K HB2 . 51661 1 983 . 1 . 1 84 84 LYS HG2 H 1 1.529 0.03 . 2 . . . . . 102 K HG1 . 51661 1 984 . 1 . 1 84 84 LYS HG3 H 1 1.654 0.03 . 2 . . . . . 102 K HG2 . 51661 1 985 . 1 . 1 84 84 LYS HD2 H 1 1.740 0.03 . 2 . . . . . 102 K HD1 . 51661 1 986 . 1 . 1 84 84 LYS HD3 H 1 1.740 0.03 . 2 . . . . . 102 K HD2 . 51661 1 987 . 1 . 1 84 84 LYS HE2 H 1 3.016 0.03 . 2 . . . . . 102 K HE1 . 51661 1 988 . 1 . 1 84 84 LYS HE3 H 1 3.016 0.03 . 2 . . . . . 102 K HE2 . 51661 1 989 . 1 . 1 84 84 LYS CA C 13 59.499 0.33 . 1 . . . . . 102 K CA . 51661 1 990 . 1 . 1 84 84 LYS CB C 13 32.164 0.33 . 1 . . . . . 102 K CB . 51661 1 991 . 1 . 1 84 84 LYS CG C 13 25.179 0.33 . 1 . . . . . 102 K CG . 51661 1 992 . 1 . 1 84 84 LYS CD C 13 29.168 0.33 . 1 . . . . . 102 K CD . 51661 1 993 . 1 . 1 84 84 LYS CE C 13 42.256 0.33 . 1 . . . . . 102 K CE . 51661 1 994 . 1 . 1 84 84 LYS N N 15 117.763 0.39 . 1 . . . . . 102 K N . 51661 1 995 . 1 . 1 85 85 LYS H H 1 7.895 0.03 . 1 . . . . . 103 K HN . 51661 1 996 . 1 . 1 85 85 LYS HA H 1 4.108 0.03 . 1 . . . . . 103 K HA . 51661 1 997 . 1 . 1 85 85 LYS HB2 H 1 2.011 0.03 . 2 . . . . . 103 K HB1 . 51661 1 998 . 1 . 1 85 85 LYS HB3 H 1 2.140 0.03 . 2 . . . . . 103 K HB2 . 51661 1 999 . 1 . 1 85 85 LYS HG2 H 1 1.541 0.03 . 2 . . . . . 103 K HG1 . 51661 1 1000 . 1 . 1 85 85 LYS HG3 H 1 1.329 0.03 . 2 . . . . . 103 K HG2 . 51661 1 1001 . 1 . 1 85 85 LYS HD2 H 1 1.200 0.03 . 2 . . . . . 103 K HD1 . 51661 1 1002 . 1 . 1 85 85 LYS HD3 H 1 1.480 0.03 . 2 . . . . . 103 K HD2 . 51661 1 1003 . 1 . 1 85 85 LYS HE2 H 1 2.348 0.03 . 2 . . . . . 103 K HE1 . 51661 1 1004 . 1 . 1 85 85 LYS HE3 H 1 2.396 0.03 . 2 . . . . . 103 K HE2 . 51661 1 1005 . 1 . 1 85 85 LYS CA C 13 60.053 0.33 . 1 . . . . . 103 K CA . 51661 1 1006 . 1 . 1 85 85 LYS CB C 13 33.016 0.33 . 1 . . . . . 103 K CB . 51661 1 1007 . 1 . 1 85 85 LYS CG C 13 25.230 0.33 . 1 . . . . . 103 K CG . 51661 1 1008 . 1 . 1 85 85 LYS CD C 13 29.924 0.33 . 1 . . . . . 103 K CD . 51661 1 1009 . 1 . 1 85 85 LYS CE C 13 41.601 0.33 . 1 . . . . . 103 K CE . 51661 1 1010 . 1 . 1 85 85 LYS N N 15 122.829 0.39 . 1 . . . . . 103 K N . 51661 1 1011 . 1 . 1 86 86 ILE H H 1 8.784 0.03 . 1 . . . . . 104 I HN . 51661 1 1012 . 1 . 1 86 86 ILE HA H 1 3.638 0.03 . 1 . . . . . 104 I HA . 51661 1 1013 . 1 . 1 86 86 ILE HB H 1 2.223 0.03 . 1 . . . . . 104 I HB . 51661 1 1014 . 1 . 1 86 86 ILE HG12 H 1 2.528 0.03 . 1 . . . . . 104 I HG12 . 51661 1 1015 . 1 . 1 86 86 ILE HG21 H 1 0.897 0.03 . 1 . . . . . 104 I HG21 . 51661 1 1016 . 1 . 1 86 86 ILE HG22 H 1 0.897 0.03 . 1 . . . . . 104 I HG21 . 51661 1 1017 . 1 . 1 86 86 ILE HG23 H 1 0.897 0.03 . 1 . . . . . 104 I HG21 . 51661 1 1018 . 1 . 1 86 86 ILE HD11 H 1 1.136 0.03 . 1 . . . . . 104 I HD11 . 51661 1 1019 . 1 . 1 86 86 ILE HD12 H 1 1.136 0.03 . 1 . . . . . 104 I HD11 . 51661 1 1020 . 1 . 1 86 86 ILE HD13 H 1 1.136 0.03 . 1 . . . . . 104 I HD11 . 51661 1 1021 . 1 . 1 86 86 ILE CA C 13 67.082 0.33 . 1 . . . . . 104 I CA . 51661 1 1022 . 1 . 1 86 86 ILE CB C 13 39.234 0.33 . 1 . . . . . 104 I CB . 51661 1 1023 . 1 . 1 86 86 ILE CG1 C 13 30.221 0.33 . 1 . . . . . 104 I CG1 . 51661 1 1024 . 1 . 1 86 86 ILE CG2 C 13 17.302 0.33 . 1 . . . . . 104 I CG2 . 51661 1 1025 . 1 . 1 86 86 ILE CD1 C 13 14.268 0.33 . 1 . . . . . 104 I CD1 . 51661 1 1026 . 1 . 1 86 86 ILE N N 15 121.221 0.39 . 1 . . . . . 104 I N . 51661 1 1027 . 1 . 1 87 87 GLU H H 1 8.634 0.03 . 1 . . . . . 105 E HN . 51661 1 1028 . 1 . 1 87 87 GLU HA H 1 3.896 0.03 . 1 . . . . . 105 E HA . 51661 1 1029 . 1 . 1 87 87 GLU HB2 H 1 2.103 0.03 . 2 . . . . . 105 E HB1 . 51661 1 1030 . 1 . 1 87 87 GLU HB3 H 1 2.103 0.03 . 2 . . . . . 105 E HB2 . 51661 1 1031 . 1 . 1 87 87 GLU HG2 H 1 2.325 0.03 . 2 . . . . . 105 E HG1 . 51661 1 1032 . 1 . 1 87 87 GLU HG3 H 1 2.551 0.03 . 2 . . . . . 105 E HG2 . 51661 1 1033 . 1 . 1 87 87 GLU CA C 13 59.867 0.33 . 1 . . . . . 105 E CA . 51661 1 1034 . 1 . 1 87 87 GLU CB C 13 29.348 0.33 . 1 . . . . . 105 E CB . 51661 1 1035 . 1 . 1 87 87 GLU CG C 13 36.490 0.33 . 1 . . . . . 105 E CG . 51661 1 1036 . 1 . 1 87 87 GLU N N 15 117.629 0.39 . 1 . . . . . 105 E N . 51661 1 1037 . 1 . 1 88 88 SER H H 1 8.420 0.03 . 1 . . . . . 106 S HN . 51661 1 1038 . 1 . 1 88 88 SER HA H 1 4.312 0.03 . 1 . . . . . 106 S HA . 51661 1 1039 . 1 . 1 88 88 SER HB2 H 1 4.121 0.03 . 2 . . . . . 106 S HB1 . 51661 1 1040 . 1 . 1 88 88 SER HB3 H 1 4.053 0.03 . 2 . . . . . 106 S HB2 . 51661 1 1041 . 1 . 1 88 88 SER CA C 13 61.584 0.33 . 1 . . . . . 106 S CA . 51661 1 1042 . 1 . 1 88 88 SER CB C 13 63.015 0.33 . 1 . . . . . 106 S CB . 51661 1 1043 . 1 . 1 88 88 SER N N 15 114.837 0.39 . 1 . . . . . 106 S N . 51661 1 1044 . 1 . 1 89 89 LEU H H 1 7.777 0.03 . 1 . . . . . 107 L HN . 51661 1 1045 . 1 . 1 89 89 LEU HA H 1 4.278 0.03 . 1 . . . . . 107 L HA . 51661 1 1046 . 1 . 1 89 89 LEU HB2 H 1 2.093 0.03 . 2 . . . . . 107 L HB1 . 51661 1 1047 . 1 . 1 89 89 LEU HB3 H 1 1.880 0.03 . 2 . . . . . 107 L HB2 . 51661 1 1048 . 1 . 1 89 89 LEU HG H 1 1.415 0.03 . 1 . . . . . 107 L HG . 51661 1 1049 . 1 . 1 89 89 LEU HD11 H 1 0.879 0.03 . 2 . . . . . 107 L HD11 . 51661 1 1050 . 1 . 1 89 89 LEU HD12 H 1 0.879 0.03 . 2 . . . . . 107 L HD11 . 51661 1 1051 . 1 . 1 89 89 LEU HD13 H 1 0.879 0.03 . 2 . . . . . 107 L HD11 . 51661 1 1052 . 1 . 1 89 89 LEU HD21 H 1 0.987 0.03 . 2 . . . . . 107 L HD21 . 51661 1 1053 . 1 . 1 89 89 LEU HD22 H 1 0.987 0.03 . 2 . . . . . 107 L HD21 . 51661 1 1054 . 1 . 1 89 89 LEU HD23 H 1 0.987 0.03 . 2 . . . . . 107 L HD21 . 51661 1 1055 . 1 . 1 89 89 LEU CA C 13 58.234 0.33 . 1 . . . . . 107 L CA . 51661 1 1056 . 1 . 1 89 89 LEU CB C 13 41.283 0.33 . 1 . . . . . 107 L CB . 51661 1 1057 . 1 . 1 89 89 LEU CG C 13 27.376 0.33 . 1 . . . . . 107 L CG . 51661 1 1058 . 1 . 1 89 89 LEU CD1 C 13 25.367 0.33 . 1 . . . . . 107 L CD1 . 51661 1 1059 . 1 . 1 89 89 LEU CD2 C 13 23.406 0.33 . 1 . . . . . 107 L CD2 . 51661 1 1060 . 1 . 1 89 89 LEU N N 15 122.815 0.39 . 1 . . . . . 107 L N . 51661 1 1061 . 1 . 1 90 90 LEU H H 1 8.642 0.03 . 1 . . . . . 108 L HN . 51661 1 1062 . 1 . 1 90 90 LEU HA H 1 3.827 0.03 . 1 . . . . . 108 L HA . 51661 1 1063 . 1 . 1 90 90 LEU HB2 H 1 1.416 0.03 . 2 . . . . . 108 L HB1 . 51661 1 1064 . 1 . 1 90 90 LEU HB3 H 1 1.837 0.03 . 2 . . . . . 108 L HB2 . 51661 1 1065 . 1 . 1 90 90 LEU HG H 1 1.856 0.03 . 1 . . . . . 108 L HG . 51661 1 1066 . 1 . 1 90 90 LEU HD11 H 1 0.672 0.03 . 2 . . . . . 108 L HD11 . 51661 1 1067 . 1 . 1 90 90 LEU HD12 H 1 0.672 0.03 . 2 . . . . . 108 L HD11 . 51661 1 1068 . 1 . 1 90 90 LEU HD13 H 1 0.672 0.03 . 2 . . . . . 108 L HD11 . 51661 1 1069 . 1 . 1 90 90 LEU HD21 H 1 0.709 0.03 . 2 . . . . . 108 L HD21 . 51661 1 1070 . 1 . 1 90 90 LEU HD22 H 1 0.709 0.03 . 2 . . . . . 108 L HD21 . 51661 1 1071 . 1 . 1 90 90 LEU HD23 H 1 0.709 0.03 . 2 . . . . . 108 L HD21 . 51661 1 1072 . 1 . 1 90 90 LEU CA C 13 58.232 0.33 . 1 . . . . . 108 L CA . 51661 1 1073 . 1 . 1 90 90 LEU CB C 13 40.980 0.33 . 1 . . . . . 108 L CB . 51661 1 1074 . 1 . 1 90 90 LEU CG C 13 26.466 0.33 . 1 . . . . . 108 L CG . 51661 1 1075 . 1 . 1 90 90 LEU CD1 C 13 22.495 0.33 . 1 . . . . . 108 L CD1 . 51661 1 1076 . 1 . 1 90 90 LEU CD2 C 13 26.515 0.33 . 1 . . . . . 108 L CD2 . 51661 1 1077 . 1 . 1 90 90 LEU N N 15 117.076 0.39 . 1 . . . . . 108 L N . 51661 1 1078 . 1 . 1 91 91 SER H H 1 8.172 0.03 . 1 . . . . . 109 S HN . 51661 1 1079 . 1 . 1 91 91 SER HA H 1 4.293 0.03 . 1 . . . . . 109 S HA . 51661 1 1080 . 1 . 1 91 91 SER HB2 H 1 4.064 0.03 . 2 . . . . . 109 S HB1 . 51661 1 1081 . 1 . 1 91 91 SER HB3 H 1 4.064 0.03 . 2 . . . . . 109 S HB2 . 51661 1 1082 . 1 . 1 91 91 SER CA C 13 61.830 0.33 . 1 . . . . . 109 S CA . 51661 1 1083 . 1 . 1 91 91 SER CB C 13 62.900 0.33 . 1 . . . . . 109 S CB . 51661 1 1084 . 1 . 1 91 91 SER N N 15 113.836 0.39 . 1 . . . . . 109 S N . 51661 1 1085 . 1 . 1 92 92 ARG H H 1 7.482 0.03 . 1 . . . . . 110 R HN . 51661 1 1086 . 1 . 1 92 92 ARG HA H 1 4.141 0.03 . 1 . . . . . 110 R HA . 51661 1 1087 . 1 . 1 92 92 ARG HB2 H 1 2.095 0.03 . 2 . . . . . 110 R HB1 . 51661 1 1088 . 1 . 1 92 92 ARG HB3 H 1 2.095 0.03 . 2 . . . . . 110 R HB2 . 51661 1 1089 . 1 . 1 92 92 ARG HG2 H 1 1.812 0.03 . 2 . . . . . 110 R HG1 . 51661 1 1090 . 1 . 1 92 92 ARG HG3 H 1 2.065 0.03 . 2 . . . . . 110 R HG2 . 51661 1 1091 . 1 . 1 92 92 ARG HD2 H 1 3.402 0.03 . 2 . . . . . 110 R HD1 . 51661 1 1092 . 1 . 1 92 92 ARG HD3 H 1 3.402 0.03 . 2 . . . . . 110 R HD2 . 51661 1 1093 . 1 . 1 92 92 ARG CA C 13 59.670 0.33 . 1 . . . . . 110 R CA . 51661 1 1094 . 1 . 1 92 92 ARG CB C 13 31.040 0.33 . 1 . . . . . 110 R CB . 51661 1 1095 . 1 . 1 92 92 ARG CG C 13 28.176 0.33 . 1 . . . . . 110 R CG . 51661 1 1096 . 1 . 1 92 92 ARG CD C 13 44.166 0.33 . 1 . . . . . 110 R CD . 51661 1 1097 . 1 . 1 92 92 ARG N N 15 121.025 0.39 . 1 . . . . . 110 R N . 51661 1 1098 . 1 . 1 93 93 VAL H H 1 8.394 0.03 . 1 . . . . . 111 V HN . 51661 1 1099 . 1 . 1 93 93 VAL HA H 1 2.900 0.03 . 1 . . . . . 111 V HA . 51661 1 1100 . 1 . 1 93 93 VAL HB H 1 1.666 0.03 . 1 . . . . . 111 V HB . 51661 1 1101 . 1 . 1 93 93 VAL HG11 H 1 -0.045 0.03 . 2 . . . . . 111 V HG11 . 51661 1 1102 . 1 . 1 93 93 VAL HG12 H 1 -0.045 0.03 . 2 . . . . . 111 V HG11 . 51661 1 1103 . 1 . 1 93 93 VAL HG13 H 1 -0.045 0.03 . 2 . . . . . 111 V HG11 . 51661 1 1104 . 1 . 1 93 93 VAL HG21 H 1 0.215 0.03 . 2 . . . . . 111 V HG21 . 51661 1 1105 . 1 . 1 93 93 VAL HG22 H 1 0.215 0.03 . 2 . . . . . 111 V HG21 . 51661 1 1106 . 1 . 1 93 93 VAL HG23 H 1 0.215 0.03 . 2 . . . . . 111 V HG21 . 51661 1 1107 . 1 . 1 93 93 VAL CA C 13 66.122 0.33 . 1 . . . . . 111 V CA . 51661 1 1108 . 1 . 1 93 93 VAL CB C 13 31.378 0.33 . 1 . . . . . 111 V CB . 51661 1 1109 . 1 . 1 93 93 VAL CG1 C 13 21.095 0.33 . 1 . . . . . 111 V CG1 . 51661 1 1110 . 1 . 1 93 93 VAL CG2 C 13 21.829 0.33 . 1 . . . . . 111 V CG2 . 51661 1 1111 . 1 . 1 93 93 VAL N N 15 121.064 0.39 . 1 . . . . . 111 V N . 51661 1 1112 . 1 . 1 94 94 ASN H H 1 8.657 0.03 . 1 . . . . . 112 N HN . 51661 1 1113 . 1 . 1 94 94 ASN HA H 1 4.412 0.03 . 1 . . . . . 112 N HA . 51661 1 1114 . 1 . 1 94 94 ASN HB2 H 1 2.884 0.03 . 2 . . . . . 112 N HB1 . 51661 1 1115 . 1 . 1 94 94 ASN HB3 H 1 2.714 0.03 . 2 . . . . . 112 N HB2 . 51661 1 1116 . 1 . 1 94 94 ASN HD21 H 1 7.255 0.03 . 2 . . . . . 112 N HD21 . 51661 1 1117 . 1 . 1 94 94 ASN HD22 H 1 7.229 0.03 . 2 . . . . . 112 N HD22 . 51661 1 1118 . 1 . 1 94 94 ASN CA C 13 57.128 0.33 . 1 . . . . . 112 N CA . 51661 1 1119 . 1 . 1 94 94 ASN CB C 13 38.433 0.33 . 1 . . . . . 112 N CB . 51661 1 1120 . 1 . 1 94 94 ASN N N 15 116.534 0.39 . 1 . . . . . 112 N N . 51661 1 1121 . 1 . 1 94 94 ASN ND2 N 15 112.173 0.39 . 1 . . . . . 112 N ND2 . 51661 1 1122 . 1 . 1 95 95 LYS H H 1 7.651 0.03 . 1 . . . . . 113 K HN . 51661 1 1123 . 1 . 1 95 95 LYS HA H 1 4.129 0.03 . 1 . . . . . 113 K HA . 51661 1 1124 . 1 . 1 95 95 LYS HB2 H 1 1.974 0.03 . 2 . . . . . 113 K HB1 . 51661 1 1125 . 1 . 1 95 95 LYS HB3 H 1 1.974 0.03 . 2 . . . . . 113 K HB2 . 51661 1 1126 . 1 . 1 95 95 LYS HG2 H 1 1.463 0.03 . 2 . . . . . 113 K HG1 . 51661 1 1127 . 1 . 1 95 95 LYS HG3 H 1 1.565 0.03 . 2 . . . . . 113 K HG2 . 51661 1 1128 . 1 . 1 95 95 LYS HD2 H 1 1.734 0.03 . 2 . . . . . 113 K HD1 . 51661 1 1129 . 1 . 1 95 95 LYS HD3 H 1 1.734 0.03 . 2 . . . . . 113 K HD2 . 51661 1 1130 . 1 . 1 95 95 LYS HE2 H 1 3.024 0.03 . 2 . . . . . 113 K HE2 . 51661 1 1131 . 1 . 1 95 95 LYS CA C 13 59.683 0.33 . 1 . . . . . 113 K CA . 51661 1 1132 . 1 . 1 95 95 LYS CB C 13 32.555 0.33 . 1 . . . . . 113 K CB . 51661 1 1133 . 1 . 1 95 95 LYS CG C 13 24.999 0.33 . 1 . . . . . 113 K CG . 51661 1 1134 . 1 . 1 95 95 LYS CD C 13 29.271 0.33 . 1 . . . . . 113 K CD . 51661 1 1135 . 1 . 1 95 95 LYS CE C 13 42.245 0.33 . 1 . . . . . 113 K CE . 51661 1 1136 . 1 . 1 95 95 LYS N N 15 120.382 0.39 . 1 . . . . . 113 K N . 51661 1 1137 . 1 . 1 96 96 ARG H H 1 7.591 0.03 . 1 . . . . . 114 R HN . 51661 1 1138 . 1 . 1 96 96 ARG HA H 1 4.342 0.03 . 1 . . . . . 114 R HA . 51661 1 1139 . 1 . 1 96 96 ARG HB2 H 1 2.231 0.03 . 2 . . . . . 114 R HB1 . 51661 1 1140 . 1 . 1 96 96 ARG HB3 H 1 2.146 0.03 . 2 . . . . . 114 R HB2 . 51661 1 1141 . 1 . 1 96 96 ARG HG2 H 1 1.984 0.03 . 2 . . . . . 114 R HG1 . 51661 1 1142 . 1 . 1 96 96 ARG HG3 H 1 1.701 0.03 . 2 . . . . . 114 R HG2 . 51661 1 1143 . 1 . 1 96 96 ARG HD2 H 1 3.204 0.03 . 2 . . . . . 114 R HD1 . 51661 1 1144 . 1 . 1 96 96 ARG HD3 H 1 3.645 0.03 . 2 . . . . . 114 R HD2 . 51661 1 1145 . 1 . 1 96 96 ARG CA C 13 57.210 0.33 . 1 . . . . . 114 R CA . 51661 1 1146 . 1 . 1 96 96 ARG CB C 13 29.403 0.33 . 1 . . . . . 114 R CB . 51661 1 1147 . 1 . 1 96 96 ARG CG C 13 24.893 0.33 . 1 . . . . . 114 R CG . 51661 1 1148 . 1 . 1 96 96 ARG CD C 13 42.027 0.33 . 1 . . . . . 114 R CD . 51661 1 1149 . 1 . 1 96 96 ARG N N 15 119.136 0.39 . 1 . . . . . 114 R N . 51661 1 1150 . 1 . 1 97 97 ILE H H 1 8.573 0.03 . 1 . . . . . 115 I HN . 51661 1 1151 . 1 . 1 97 97 ILE HA H 1 3.651 0.03 . 1 . . . . . 115 I HA . 51661 1 1152 . 1 . 1 97 97 ILE HB H 1 1.981 0.03 . 1 . . . . . 115 I HB . 51661 1 1153 . 1 . 1 97 97 ILE HG12 H 1 0.984 0.03 . 1 . . . . . 115 I HG11 . 51661 1 1154 . 1 . 1 97 97 ILE HG13 H 1 1.694 0.03 . 1 . . . . . 115 I HG12 . 51661 1 1155 . 1 . 1 97 97 ILE HG21 H 1 0.926 0.03 . 1 . . . . . 115 I HG21 . 51661 1 1156 . 1 . 1 97 97 ILE HG22 H 1 0.926 0.03 . 1 . . . . . 115 I HG21 . 51661 1 1157 . 1 . 1 97 97 ILE HG23 H 1 0.926 0.03 . 1 . . . . . 115 I HG21 . 51661 1 1158 . 1 . 1 97 97 ILE HD11 H 1 0.658 0.03 . 1 . . . . . 115 I HD11 . 51661 1 1159 . 1 . 1 97 97 ILE HD12 H 1 0.658 0.03 . 1 . . . . . 115 I HD11 . 51661 1 1160 . 1 . 1 97 97 ILE HD13 H 1 0.658 0.03 . 1 . . . . . 115 I HD11 . 51661 1 1161 . 1 . 1 97 97 ILE CA C 13 65.846 0.33 . 1 . . . . . 115 I CA . 51661 1 1162 . 1 . 1 97 97 ILE CB C 13 38.029 0.33 . 1 . . . . . 115 I CB . 51661 1 1163 . 1 . 1 97 97 ILE CG1 C 13 29.029 0.33 . 1 . . . . . 115 I CG1 . 51661 1 1164 . 1 . 1 97 97 ILE CG2 C 13 17.197 0.33 . 1 . . . . . 115 I CG2 . 51661 1 1165 . 1 . 1 97 97 ILE CD1 C 13 13.843 0.33 . 1 . . . . . 115 I CD1 . 51661 1 1166 . 1 . 1 97 97 ILE N N 15 119.035 0.39 . 1 . . . . . 115 I N . 51661 1 1167 . 1 . 1 98 98 THR H H 1 7.890 0.03 . 1 . . . . . 116 T HN . 51661 1 1168 . 1 . 1 98 98 THR HA H 1 4.043 0.03 . 1 . . . . . 116 T HA . 51661 1 1169 . 1 . 1 98 98 THR HB H 1 4.345 0.03 . 1 . . . . . 116 T HB . 51661 1 1170 . 1 . 1 98 98 THR HG21 H 1 1.305 0.03 . 1 . . . . . 116 T HG21 . 51661 1 1171 . 1 . 1 98 98 THR HG22 H 1 1.305 0.03 . 1 . . . . . 116 T HG21 . 51661 1 1172 . 1 . 1 98 98 THR HG23 H 1 1.305 0.03 . 1 . . . . . 116 T HG21 . 51661 1 1173 . 1 . 1 98 98 THR CA C 13 66.363 0.33 . 1 . . . . . 116 T CA . 51661 1 1174 . 1 . 1 98 98 THR CB C 13 69.011 0.33 . 1 . . . . . 116 T CB . 51661 1 1175 . 1 . 1 98 98 THR CG2 C 13 21.675 0.33 . 1 . . . . . 116 T CG2 . 51661 1 1176 . 1 . 1 98 98 THR N N 15 114.985 0.39 . 1 . . . . . 116 T N . 51661 1 1177 . 1 . 1 99 99 GLU H H 1 7.871 0.03 . 1 . . . . . 117 E HN . 51661 1 1178 . 1 . 1 99 99 GLU HA H 1 4.116 0.03 . 1 . . . . . 117 E HA . 51661 1 1179 . 1 . 1 99 99 GLU HB2 H 1 2.254 0.03 . 2 . . . . . 117 E HB1 . 51661 1 1180 . 1 . 1 99 99 GLU HB3 H 1 2.125 0.03 . 2 . . . . . 117 E HB2 . 51661 1 1181 . 1 . 1 99 99 GLU HG2 H 1 2.530 0.03 . 2 . . . . . 117 E HG1 . 51661 1 1182 . 1 . 1 99 99 GLU HG3 H 1 2.270 0.03 . 2 . . . . . 117 E HG2 . 51661 1 1183 . 1 . 1 99 99 GLU CA C 13 58.850 0.33 . 1 . . . . . 117 E CA . 51661 1 1184 . 1 . 1 99 99 GLU CB C 13 30.061 0.33 . 1 . . . . . 117 E CB . 51661 1 1185 . 1 . 1 99 99 GLU CG C 13 36.531 0.33 . 1 . . . . . 117 E CG . 51661 1 1186 . 1 . 1 99 99 GLU N N 15 121.207 0.39 . 1 . . . . . 117 E N . 51661 1 1187 . 1 . 1 100 100 ALA H H 1 8.497 0.03 . 1 . . . . . 118 A HN . 51661 1 1188 . 1 . 1 100 100 ALA HA H 1 4.246 0.03 . 1 . . . . . 118 A HA . 51661 1 1189 . 1 . 1 100 100 ALA HB1 H 1 1.432 0.03 . 1 . . . . . 118 A HB1 . 51661 1 1190 . 1 . 1 100 100 ALA HB2 H 1 1.432 0.03 . 1 . . . . . 118 A HB1 . 51661 1 1191 . 1 . 1 100 100 ALA HB3 H 1 1.432 0.03 . 1 . . . . . 118 A HB1 . 51661 1 1192 . 1 . 1 100 100 ALA CA C 13 54.226 0.33 . 1 . . . . . 118 A CA . 51661 1 1193 . 1 . 1 100 100 ALA CB C 13 18.562 0.33 . 1 . . . . . 118 A CB . 51661 1 1194 . 1 . 1 100 100 ALA N N 15 122.376 0.39 . 1 . . . . . 118 A N . 51661 1 1195 . 1 . 1 101 101 ASN H H 1 8.234 0.03 . 1 . . . . . 119 N HN . 51661 1 1196 . 1 . 1 101 101 ASN HA H 1 4.635 0.03 . 1 . . . . . 119 N HA . 51661 1 1197 . 1 . 1 101 101 ASN HB2 H 1 2.888 0.03 . 2 . . . . . 119 N HB1 . 51661 1 1198 . 1 . 1 101 101 ASN HB3 H 1 2.888 0.03 . 2 . . . . . 119 N HB2 . 51661 1 1199 . 1 . 1 101 101 ASN HD21 H 1 7.513 0.03 . 2 . . . . . 119 N HD21 . 51661 1 1200 . 1 . 1 101 101 ASN HD22 H 1 6.728 0.03 . 2 . . . . . 119 N HD22 . 51661 1 1201 . 1 . 1 101 101 ASN CA C 13 54.880 0.33 . 1 . . . . . 119 N CA . 51661 1 1202 . 1 . 1 101 101 ASN CB C 13 38.700 0.33 . 1 . . . . . 119 N CB . 51661 1 1203 . 1 . 1 101 101 ASN N N 15 116.575 0.39 . 1 . . . . . 119 N N . 51661 1 1204 . 1 . 1 101 101 ASN ND2 N 15 111.461 0.39 . 1 . . . . . 119 N ND2 . 51661 1 1205 . 1 . 1 102 102 ASN H H 1 8.043 0.03 . 1 . . . . . 120 N HN . 51661 1 1206 . 1 . 1 102 102 ASN HB2 H 1 2.888 0.03 . 2 . . . . . 120 N HB1 . 51661 1 1207 . 1 . 1 102 102 ASN HB3 H 1 2.888 0.03 . 2 . . . . . 120 N HB2 . 51661 1 1208 . 1 . 1 102 102 ASN HD21 H 1 7.613 0.03 . 2 . . . . . 120 N HD21 . 51661 1 1209 . 1 . 1 102 102 ASN HD22 H 1 6.860 0.03 . 2 . . . . . 120 N HD22 . 51661 1 1210 . 1 . 1 102 102 ASN CA C 13 54.471 0.33 . 1 . . . . . 120 N CA . 51661 1 1211 . 1 . 1 102 102 ASN CB C 13 38.878 0.33 . 1 . . . . . 120 N CB . 51661 1 1212 . 1 . 1 102 102 ASN N N 15 118.101 0.39 . 1 . . . . . 120 N N . 51661 1 1213 . 1 . 1 102 102 ASN ND2 N 15 112.268 0.39 . 1 . . . . . 120 N ND2 . 51661 1 1214 . 1 . 1 103 103 GLU H H 1 8.003 0.03 . 1 . . . . . 121 E HN . 51661 1 1215 . 1 . 1 103 103 GLU HA H 1 4.231 0.03 . 1 . . . . . 121 E HA . 51661 1 1216 . 1 . 1 103 103 GLU HB2 H 1 2.102 0.03 . 2 . . . . . 121 E HB1 . 51661 1 1217 . 1 . 1 103 103 GLU HB3 H 1 2.102 0.03 . 2 . . . . . 121 E HB2 . 51661 1 1218 . 1 . 1 103 103 GLU HG2 H 1 2.253 0.03 . 2 . . . . . 121 E HG1 . 51661 1 1219 . 1 . 1 103 103 GLU HG3 H 1 2.375 0.03 . 2 . . . . . 121 E HG2 . 51661 1 1220 . 1 . 1 103 103 GLU CA C 13 57.782 0.33 . 1 . . . . . 121 E CA . 51661 1 1221 . 1 . 1 103 103 GLU CB C 13 30.061 0.33 . 1 . . . . . 121 E CB . 51661 1 1222 . 1 . 1 103 103 GLU CG C 13 36.406 0.33 . 1 . . . . . 121 E CG . 51661 1 1223 . 1 . 1 103 103 GLU N N 15 120.112 0.39 . 1 . . . . . 121 E N . 51661 1 1224 . 1 . 1 104 104 ILE H H 1 7.948 0.03 . 1 . . . . . 122 I HN . 51661 1 1225 . 1 . 1 104 104 ILE HA H 1 4.023 0.03 . 1 . . . . . 122 I HA . 51661 1 1226 . 1 . 1 104 104 ILE HB H 1 1.925 0.03 . 1 . . . . . 122 I HB . 51661 1 1227 . 1 . 1 104 104 ILE HG12 H 1 1.213 0.03 . 1 . . . . . 122 I HG11 . 51661 1 1228 . 1 . 1 104 104 ILE HG13 H 1 1.568 0.03 . 1 . . . . . 122 I HG12 . 51661 1 1229 . 1 . 1 104 104 ILE HG21 H 1 0.923 0.03 . 1 . . . . . 122 I HG21 . 51661 1 1230 . 1 . 1 104 104 ILE HG22 H 1 0.923 0.03 . 1 . . . . . 122 I HG21 . 51661 1 1231 . 1 . 1 104 104 ILE HG23 H 1 0.923 0.03 . 1 . . . . . 122 I HG21 . 51661 1 1232 . 1 . 1 104 104 ILE HD11 H 1 0.874 0.03 . 1 . . . . . 122 I HD11 . 51661 1 1233 . 1 . 1 104 104 ILE HD12 H 1 0.874 0.03 . 1 . . . . . 122 I HD11 . 51661 1 1234 . 1 . 1 104 104 ILE HD13 H 1 0.874 0.03 . 1 . . . . . 122 I HD11 . 51661 1 1235 . 1 . 1 104 104 ILE CA C 13 62.597 0.33 . 1 . . . . . 122 I CA . 51661 1 1236 . 1 . 1 104 104 ILE CB C 13 38.657 0.33 . 1 . . . . . 122 I CB . 51661 1 1237 . 1 . 1 104 104 ILE CG1 C 13 28.094 0.33 . 1 . . . . . 122 I CG1 . 51661 1 1238 . 1 . 1 104 104 ILE CG2 C 13 17.596 0.33 . 1 . . . . . 122 I CG2 . 51661 1 1239 . 1 . 1 104 104 ILE CD1 C 13 13.155 0.33 . 1 . . . . . 122 I CD1 . 51661 1 1240 . 1 . 1 104 104 ILE N N 15 120.079 0.39 . 1 . . . . . 122 I N . 51661 1 1241 . 1 . 1 105 105 GLU H H 1 8.218 0.03 . 1 . . . . . 123 E HN . 51661 1 1242 . 1 . 1 105 105 GLU HA H 1 4.211 0.03 . 1 . . . . . 123 E HA . 51661 1 1243 . 1 . 1 105 105 GLU HB2 H 1 2.047 0.03 . 2 . . . . . 123 E HB1 . 51661 1 1244 . 1 . 1 105 105 GLU HB3 H 1 2.047 0.03 . 2 . . . . . 123 E HB2 . 51661 1 1245 . 1 . 1 105 105 GLU HG2 H 1 2.317 0.03 . 2 . . . . . 123 E HG1 . 51661 1 1246 . 1 . 1 105 105 GLU HG3 H 1 2.240 0.03 . 2 . . . . . 123 E HG2 . 51661 1 1247 . 1 . 1 105 105 GLU CA C 13 57.619 0.33 . 1 . . . . . 123 E CA . 51661 1 1248 . 1 . 1 105 105 GLU CB C 13 29.972 0.33 . 1 . . . . . 123 E CB . 51661 1 1249 . 1 . 1 105 105 GLU CG C 13 36.493 0.33 . 1 . . . . . 123 E CG . 51661 1 1250 . 1 . 1 105 105 GLU N N 15 122.481 0.39 . 1 . . . . . 123 E N . 51661 1 1251 . 1 . 1 106 106 LEU H H 1 7.997 0.03 . 1 . . . . . 124 L HN . 51661 1 1252 . 1 . 1 106 106 LEU HA H 1 4.266 0.03 . 1 . . . . . 124 L HA . 51661 1 1253 . 1 . 1 106 106 LEU HB2 H 1 1.590 0.03 . 2 . . . . . 124 L HB1 . 51661 1 1254 . 1 . 1 106 106 LEU HB3 H 1 1.693 0.03 . 2 . . . . . 124 L HB2 . 51661 1 1255 . 1 . 1 106 106 LEU HG H 1 1.645 0.03 . 1 . . . . . 124 L HG . 51661 1 1256 . 1 . 1 106 106 LEU HD11 H 1 0.895 0.03 . 2 . . . . . 124 L HD11 . 51661 1 1257 . 1 . 1 106 106 LEU HD12 H 1 0.895 0.03 . 2 . . . . . 124 L HD11 . 51661 1 1258 . 1 . 1 106 106 LEU HD13 H 1 0.895 0.03 . 2 . . . . . 124 L HD11 . 51661 1 1259 . 1 . 1 106 106 LEU HD21 H 1 0.844 0.03 . 2 . . . . . 124 L HD21 . 51661 1 1260 . 1 . 1 106 106 LEU HD22 H 1 0.844 0.03 . 2 . . . . . 124 L HD21 . 51661 1 1261 . 1 . 1 106 106 LEU HD23 H 1 0.844 0.03 . 2 . . . . . 124 L HD21 . 51661 1 1262 . 1 . 1 106 106 LEU CA C 13 55.902 0.33 . 1 . . . . . 124 L CA . 51661 1 1263 . 1 . 1 106 106 LEU CB C 13 42.263 0.33 . 1 . . . . . 124 L CB . 51661 1 1264 . 1 . 1 106 106 LEU CG C 13 26.839 0.33 . 1 . . . . . 124 L CG . 51661 1 1265 . 1 . 1 106 106 LEU CD1 C 13 24.904 0.33 . 1 . . . . . 124 L CD1 . 51661 1 1266 . 1 . 1 106 106 LEU CD2 C 13 23.622 0.33 . 1 . . . . . 124 L CD2 . 51661 1 1267 . 1 . 1 106 106 LEU N N 15 121.505 0.39 . 1 . . . . . 124 L N . 51661 1 1268 . 1 . 1 107 107 LEU H H 1 7.968 0.03 . 1 . . . . . 125 L HN . 51661 1 1269 . 1 . 1 107 107 LEU HA H 1 4.259 0.03 . 1 . . . . . 125 L HA . 51661 1 1270 . 1 . 1 107 107 LEU HB2 H 1 1.546 0.03 . 2 . . . . . 125 L HB1 . 51661 1 1271 . 1 . 1 107 107 LEU HB3 H 1 1.676 0.03 . 2 . . . . . 125 L HB2 . 51661 1 1272 . 1 . 1 107 107 LEU HG H 1 1.646 0.03 . 1 . . . . . 125 L HG . 51661 1 1273 . 1 . 1 107 107 LEU HD11 H 1 0.842 0.03 . 2 . . . . . 125 L HD11 . 51661 1 1274 . 1 . 1 107 107 LEU HD12 H 1 0.842 0.03 . 2 . . . . . 125 L HD11 . 51661 1 1275 . 1 . 1 107 107 LEU HD13 H 1 0.842 0.03 . 2 . . . . . 125 L HD11 . 51661 1 1276 . 1 . 1 107 107 LEU HD21 H 1 0.897 0.03 . 2 . . . . . 125 L HD21 . 51661 1 1277 . 1 . 1 107 107 LEU HD22 H 1 0.897 0.03 . 2 . . . . . 125 L HD21 . 51661 1 1278 . 1 . 1 107 107 LEU HD23 H 1 0.897 0.03 . 2 . . . . . 125 L HD21 . 51661 1 1279 . 1 . 1 107 107 LEU CA C 13 55.738 0.33 . 1 . . . . . 125 L CA . 51661 1 1280 . 1 . 1 107 107 LEU CB C 13 42.441 0.33 . 1 . . . . . 125 L CB . 51661 1 1281 . 1 . 1 107 107 LEU CG C 13 26.842 0.33 . 1 . . . . . 125 L CG . 51661 1 1282 . 1 . 1 107 107 LEU CD1 C 13 23.478 0.33 . 1 . . . . . 125 L CD1 . 51661 1 1283 . 1 . 1 107 107 LEU CD2 C 13 24.952 0.33 . 1 . . . . . 125 L CD2 . 51661 1 1284 . 1 . 1 107 107 LEU N N 15 121.306 0.39 . 1 . . . . . 125 L N . 51661 1 1285 . 1 . 1 108 108 GLU H H 1 8.149 0.03 . 1 . . . . . 126 E HN . 51661 1 1286 . 1 . 1 108 108 GLU HA H 1 4.170 0.03 . 1 . . . . . 126 E HA . 51661 1 1287 . 1 . 1 108 108 GLU HB2 H 1 1.918 0.03 . 2 . . . . . 126 E HB1 . 51661 1 1288 . 1 . 1 108 108 GLU HB3 H 1 1.918 0.03 . 2 . . . . . 126 E HB2 . 51661 1 1289 . 1 . 1 108 108 GLU HG2 H 1 2.136 0.03 . 2 . . . . . 126 E HG1 . 51661 1 1290 . 1 . 1 108 108 GLU HG3 H 1 2.228 0.03 . 2 . . . . . 126 E HG2 . 51661 1 1291 . 1 . 1 108 108 GLU CA C 13 56.965 0.33 . 1 . . . . . 126 E CA . 51661 1 1292 . 1 . 1 108 108 GLU CB C 13 30.329 0.33 . 1 . . . . . 126 E CB . 51661 1 1293 . 1 . 1 108 108 GLU CG C 13 36.277 0.33 . 1 . . . . . 126 E CG . 51661 1 1294 . 1 . 1 108 108 GLU N N 15 119.888 0.39 . 1 . . . . . 126 E N . 51661 1 1295 . 2 . 2 1 1 DC H1' H 1 5.774 0.03 . 1 . . . . . 1 C H1' . 51661 1 1296 . 2 . 2 1 1 DC H2' H 1 1.934 0.03 . 1 . . . . . 1 C H2' . 51661 1 1297 . 2 . 2 1 1 DC H2'' H 1 2.392 0.03 . 1 . . . . . 1 C H2'' . 51661 1 1298 . 2 . 2 1 1 DC H3' H 1 4.683 0.03 . 1 . . . . . 1 C H3' . 51661 1 1299 . 2 . 2 1 1 DC H4' H 1 4.057 0.03 . 1 . . . . . 1 C H4' . 51661 1 1300 . 2 . 2 1 1 DC H5 H 1 5.908 0.03 . 2 . . . . . 1 C H5 . 51661 1 1301 . 2 . 2 1 1 DC H5' H 1 3.726 0.03 . 1 . . . . . 1 C H5' . 51661 1 1302 . 2 . 2 1 1 DC H5'' H 1 3.701 0.03 . 1 . . . . . 1 C H5'' . 51661 1 1303 . 2 . 2 1 1 DC H6 H 1 7.618 0.03 . 2 . . . . . 1 C H6 . 51661 1 1304 . 2 . 2 2 2 DG H1' H 1 5.864 0.03 . 1 . . . . . 2 G H1' . 51661 1 1305 . 2 . 2 2 2 DG H2' H 1 2.630 0.03 . 1 . . . . . 2 G H2' . 51661 1 1306 . 2 . 2 2 2 DG H2'' H 1 2.698 0.03 . 1 . . . . . 2 G H2'' . 51661 1 1307 . 2 . 2 2 2 DG H3' H 1 4.946 0.03 . 1 . . . . . 2 G H3' . 51661 1 1308 . 2 . 2 2 2 DG H4' H 1 4.324 0.03 . 1 . . . . . 2 G H4' . 51661 1 1309 . 2 . 2 2 2 DG H5' H 1 4.066 0.03 . 1 . . . . . 2 G H5' . 51661 1 1310 . 2 . 2 2 2 DG H5'' H 1 3.961 0.03 . 1 . . . . . 2 G H5'' . 51661 1 1311 . 2 . 2 2 2 DG H8 H 1 7.925 0.03 . 2 . . . . . 2 G H8 . 51661 1 1312 . 2 . 2 3 3 DC H1' H 1 5.600 0.03 . 1 . . . . . 3 C H1' . 51661 1 1313 . 2 . 2 3 3 DC H2' H 1 1.821 0.03 . 1 . . . . . 3 C H2' . 51661 1 1314 . 2 . 2 3 3 DC H2'' H 1 2.256 0.03 . 1 . . . . . 3 C H2'' . 51661 1 1315 . 2 . 2 3 3 DC H3' H 1 4.777 0.03 . 1 . . . . . 3 C H3' . 51661 1 1316 . 2 . 2 3 3 DC H4' H 1 4.163 0.03 . 1 . . . . . 3 C H4' . 51661 1 1317 . 2 . 2 3 3 DC H5 H 1 5.348 0.03 . 2 . . . . . 3 C H5 . 51661 1 1318 . 2 . 2 3 3 DC H5' H 1 4.115 0.03 . 1 . . . . . 3 C H5' . 51661 1 1319 . 2 . 2 3 3 DC H5'' H 1 4.087 0.03 . 1 . . . . . 3 C H5'' . 51661 1 1320 . 2 . 2 3 3 DC H6 H 1 7.244 0.03 . 2 . . . . . 3 C H6 . 51661 1 1321 . 2 . 2 3 3 DC H41 H 1 8.346 0.03 . 2 . . . . . 3 C H41 . 51661 1 1322 . 2 . 2 3 3 DC H42 H 1 6.357 0.03 . 2 . . . . . 3 C H42 . 51661 1 1323 . 2 . 2 4 4 DG H1 H 1 12.658 0.03 . 2 . . . . . 4 G H1 . 51661 1 1324 . 2 . 2 4 4 DG H1' H 1 5.416 0.03 . 1 . . . . . 4 G H1' . 51661 1 1325 . 2 . 2 4 4 DG H2' H 1 2.611 0.03 . 1 . . . . . 4 G H2' . 51661 1 1326 . 2 . 2 4 4 DG H2'' H 1 2.716 0.03 . 1 . . . . . 4 G H2'' . 51661 1 1327 . 2 . 2 4 4 DG H3' H 1 4.957 0.03 . 1 . . . . . 4 G H3' . 51661 1 1328 . 2 . 2 4 4 DG H4' H 1 4.283 0.03 . 1 . . . . . 4 G H4' . 51661 1 1329 . 2 . 2 4 4 DG H5' H 1 4.062 0.03 . 1 . . . . . 4 G H5' . 51661 1 1330 . 2 . 2 4 4 DG H5'' H 1 3.967 0.03 . 1 . . . . . 4 G H5'' . 51661 1 1331 . 2 . 2 4 4 DG H8 H 1 7.807 0.03 . 2 . . . . . 4 G H8 . 51661 1 1332 . 2 . 2 5 5 DA H1' H 1 5.934 0.03 . 1 . . . . . 5 A H1' . 51661 1 1333 . 2 . 2 5 5 DA H2' H 1 2.633 0.03 . 1 . . . . . 5 A H2' . 51661 1 1334 . 2 . 2 5 5 DA H2'' H 1 2.872 0.03 . 1 . . . . . 5 A H2'' . 51661 1 1335 . 2 . 2 5 5 DA H3' H 1 5.020 0.03 . 1 . . . . . 5 A H3' . 51661 1 1336 . 2 . 2 5 5 DA H4' H 1 4.408 0.03 . 1 . . . . . 5 A H4' . 51661 1 1337 . 2 . 2 5 5 DA H5' H 1 4.178 0.03 . 1 . . . . . 5 A H5' . 51661 1 1338 . 2 . 2 5 5 DA H5'' H 1 4.143 0.03 . 1 . . . . . 5 A H5'' . 51661 1 1339 . 2 . 2 5 5 DA H8 H 1 8.055 0.03 . 2 . . . . . 5 A H8 . 51661 1 1340 . 2 . 2 6 6 DA H1' H 1 6.070 0.03 . 1 . . . . . 6 A H1' . 51661 1 1341 . 2 . 2 6 6 DA H2' H 1 2.465 0.03 . 1 . . . . . 6 A H2' . 51661 1 1342 . 2 . 2 6 6 DA H2'' H 1 2.851 0.03 . 1 . . . . . 6 A H2'' . 51661 1 1343 . 2 . 2 6 6 DA H3' H 1 4.949 0.03 . 1 . . . . . 6 A H3' . 51661 1 1344 . 2 . 2 6 6 DA H4' H 1 4.403 0.03 . 1 . . . . . 6 A H4' . 51661 1 1345 . 2 . 2 6 6 DA H5' H 1 4.227 0.03 . 1 . . . . . 6 A H5' . 51661 1 1346 . 2 . 2 6 6 DA H5'' H 1 4.205 0.03 . 1 . . . . . 6 A H5'' . 51661 1 1347 . 2 . 2 6 6 DA H8 H 1 8.020 0.03 . 2 . . . . . 6 A H8 . 51661 1 1348 . 2 . 2 7 7 DT H1' H 1 5.621 0.03 . 1 . . . . . 7 T H1' . 51661 1 1349 . 2 . 2 7 7 DT H2' H 1 2.004 0.03 . 1 . . . . . 7 T H2' . 51661 1 1350 . 2 . 2 7 7 DT H2'' H 1 2.437 0.03 . 1 . . . . . 7 T H2'' . 51661 1 1351 . 2 . 2 7 7 DT H3' H 1 4.825 0.03 . 1 . . . . . 7 T H3' . 51661 1 1352 . 2 . 2 7 7 DT H4' H 1 4.236 0.03 . 1 . . . . . 7 T H4' . 51661 1 1353 . 2 . 2 7 7 DT H5' H 1 4.165 0.03 . 1 . . . . . 7 T H5' . 51661 1 1354 . 2 . 2 7 7 DT H5'' H 1 4.106 0.03 . 1 . . . . . 7 T H5'' . 51661 1 1355 . 2 . 2 7 7 DT H6 H 1 7.002 0.03 . 2 . . . . . 7 T H6 . 51661 1 1356 . 2 . 2 7 7 DT H71 H 1 1.287 0.03 . 1 . . . . . 7 T H71 . 51661 1 1357 . 2 . 2 8 8 DA H1' H 1 6.157 0.03 . 1 . . . . . 8 A H1' . 51661 1 1358 . 2 . 2 8 8 DA H2' H 1 2.544 0.03 . 1 . . . . . 8 A H2' . 51661 1 1359 . 2 . 2 8 8 DA H2'' H 1 2.883 0.03 . 1 . . . . . 8 A H2'' . 51661 1 1360 . 2 . 2 8 8 DA H3' H 1 4.970 0.03 . 1 . . . . . 8 A H3' . 51661 1 1361 . 2 . 2 8 8 DA H4' H 1 4.376 0.03 . 1 . . . . . 8 A H4' . 51661 1 1362 . 2 . 2 8 8 DA H5' H 1 4.160 0.03 . 1 . . . . . 8 A H5' . 51661 1 1363 . 2 . 2 8 8 DA H5'' H 1 4.114 0.03 . 1 . . . . . 8 A H5'' . 51661 1 1364 . 2 . 2 8 8 DA H8 H 1 8.152 0.03 . 2 . . . . . 8 A H8 . 51661 1 1365 . 2 . 2 9 9 DT H1' H 1 5.643 0.03 . 1 . . . . . 9 T H1' . 51661 1 1366 . 2 . 2 9 9 DT H2' H 1 2.034 0.03 . 1 . . . . . 9 T H2' . 51661 1 1367 . 2 . 2 9 9 DT H2'' H 1 2.457 0.03 . 1 . . . . . 9 T H2'' . 51661 1 1368 . 2 . 2 9 9 DT H3' H 1 4.849 0.03 . 1 . . . . . 9 T H3' . 51661 1 1369 . 2 . 2 9 9 DT H4' H 1 4.248 0.03 . 1 . . . . . 9 T H4' . 51661 1 1370 . 2 . 2 9 9 DT H5' H 1 4.189 0.03 . 1 . . . . . 9 T H5' . 51661 1 1371 . 2 . 2 9 9 DT H5'' H 1 4.131 0.03 . 1 . . . . . 9 T H5'' . 51661 1 1372 . 2 . 2 9 9 DT H6 H 1 7.081 0.03 . 2 . . . . . 9 T H6 . 51661 1 1373 . 2 . 2 9 9 DT H71 H 1 1.288 0.03 . 1 . . . . . 9 T H71 . 51661 1 1374 . 2 . 2 10 10 DA H1' H 1 6.159 0.03 . 1 . . . . . 10 A H1' . 51661 1 1375 . 2 . 2 10 10 DA H2' H 1 2.559 0.03 . 1 . . . . . 10 A H2' . 51661 1 1376 . 2 . 2 10 10 DA H2'' H 1 2.881 0.03 . 1 . . . . . 10 A H2'' . 51661 1 1377 . 2 . 2 10 10 DA H3' H 1 4.976 0.03 . 1 . . . . . 10 A H3' . 51661 1 1378 . 2 . 2 10 10 DA H8 H 1 8.167 0.03 . 2 . . . . . 10 A H8 . 51661 1 1379 . 2 . 2 11 11 DT H1' H 1 5.658 0.03 . 1 . . . . . 11 T H1' . 51661 1 1380 . 2 . 2 11 11 DT H2' H 1 2.084 0.03 . 1 . . . . . 11 T H2' . 51661 1 1381 . 2 . 2 11 11 DT H2'' H 1 2.488 0.03 . 1 . . . . . 11 T H2'' . 51661 1 1382 . 2 . 2 11 11 DT H3' H 1 4.863 0.03 . 1 . . . . . 11 T H3' . 51661 1 1383 . 2 . 2 11 11 DT H4' H 1 4.244 0.03 . 1 . . . . . 11 T H4' . 51661 1 1384 . 2 . 2 11 11 DT H5' H 1 4.196 0.03 . 1 . . . . . 11 T H5' . 51661 1 1385 . 2 . 2 11 11 DT H5'' H 1 4.137 0.03 . 1 . . . . . 11 T H5'' . 51661 1 1386 . 2 . 2 11 11 DT H6 H 1 7.107 0.03 . 2 . . . . . 11 T H6 . 51661 1 1387 . 2 . 2 11 11 DT H71 H 1 1.315 0.03 . 1 . . . . . 11 T H71 . 51661 1 1388 . 2 . 2 12 12 DA H1' H 1 6.205 0.03 . 1 . . . . . 12 A H1' . 51661 1 1389 . 2 . 2 12 12 DA H2' H 1 2.608 0.03 . 1 . . . . . 12 A H2' . 51661 1 1390 . 2 . 2 12 12 DA H2'' H 1 2.913 0.03 . 1 . . . . . 12 A H2'' . 51661 1 1391 . 2 . 2 12 12 DA H3' H 1 4.994 0.03 . 1 . . . . . 12 A H3' . 51661 1 1392 . 2 . 2 12 12 DA H4' H 1 4.404 0.03 . 1 . . . . . 12 A H4' . 51661 1 1393 . 2 . 2 12 12 DA H5' H 1 4.194 0.03 . 1 . . . . . 12 A H5' . 51661 1 1394 . 2 . 2 12 12 DA H5'' H 1 4.144 0.03 . 1 . . . . . 12 A H5'' . 51661 1 1395 . 2 . 2 12 12 DA H8 H 1 8.200 0.03 . 2 . . . . . 12 A H8 . 51661 1 1396 . 2 . 2 13 13 DT H1' H 1 5.928 0.03 . 1 . . . . . 13 T H1' . 51661 1 1397 . 2 . 2 13 13 DT H2' H 1 2.022 0.03 . 1 . . . . . 13 T H2' . 51661 1 1398 . 2 . 2 13 13 DT H2'' H 1 2.542 0.03 . 1 . . . . . 13 T H2'' . 51661 1 1399 . 2 . 2 13 13 DT H3' H 1 4.833 0.03 . 1 . . . . . 13 T H3' . 51661 1 1400 . 2 . 2 13 13 DT H4' H 1 4.302 0.03 . 1 . . . . . 13 T H4' . 51661 1 1401 . 2 . 2 13 13 DT H5' H 1 4.199 0.03 . 1 . . . . . 13 T H5' . 51661 1 1402 . 2 . 2 13 13 DT H5'' H 1 4.156 0.03 . 1 . . . . . 13 T H5'' . 51661 1 1403 . 2 . 2 13 13 DT H6 H 1 7.156 0.03 . 2 . . . . . 13 T H6 . 51661 1 1404 . 2 . 2 13 13 DT H71 H 1 1.264 0.03 . 1 . . . . . 13 T H71 . 51661 1 1405 . 2 . 2 14 14 DT H1' H 1 6.044 0.03 . 1 . . . . . 14 T H1' . 51661 1 1406 . 2 . 2 14 14 DT H2' H 1 2.145 0.03 . 1 . . . . . 14 T H2' . 51661 1 1407 . 2 . 2 14 14 DT H2'' H 1 2.501 0.03 . 1 . . . . . 14 T H2'' . 51661 1 1408 . 2 . 2 14 14 DT H3' H 1 4.877 0.03 . 1 . . . . . 14 T H3' . 51661 1 1409 . 2 . 2 14 14 DT H4' H 1 4.163 0.03 . 1 . . . . . 14 T H4' . 51661 1 1410 . 2 . 2 14 14 DT H5' H 1 4.098 0.03 . 1 . . . . . 14 T H5' . 51661 1 1411 . 2 . 2 14 14 DT H5'' H 1 4.098 0.03 . 1 . . . . . 14 T H5'' . 51661 1 1412 . 2 . 2 14 14 DT H6 H 1 7.345 0.03 . 2 . . . . . 14 T H6 . 51661 1 1413 . 2 . 2 14 14 DT H71 H 1 1.531 0.03 . 1 . . . . . 14 T H71 . 51661 1 1414 . 2 . 2 15 15 DC H1' H 1 5.639 0.03 . 1 . . . . . 15 C H1' . 51661 1 1415 . 2 . 2 15 15 DC H2' H 1 2.050 0.03 . 1 . . . . . 15 C H2' . 51661 1 1416 . 2 . 2 15 15 DC H2'' H 1 2.386 0.03 . 1 . . . . . 15 C H2'' . 51661 1 1417 . 2 . 2 15 15 DC H3' H 1 4.849 0.03 . 1 . . . . . 15 C H3' . 51661 1 1418 . 2 . 2 15 15 DC H4' H 1 4.164 0.03 . 1 . . . . . 15 C H4' . 51661 1 1419 . 2 . 2 15 15 DC H5 H 1 5.625 0.03 . 2 . . . . . 15 C H5 . 51661 1 1420 . 2 . 2 15 15 DC H5' H 1 4.117 0.03 . 1 . . . . . 15 C H5' . 51661 1 1421 . 2 . 2 15 15 DC H5'' H 1 4.089 0.03 . 1 . . . . . 15 C H5'' . 51661 1 1422 . 2 . 2 15 15 DC H6 H 1 7.447 0.03 . 2 . . . . . 15 C H6 . 51661 1 1423 . 2 . 2 15 15 DC H41 H 1 8.387 0.03 . 2 . . . . . 15 C H41 . 51661 1 1424 . 2 . 2 15 15 DC H42 H 1 6.746 0.03 . 2 . . . . . 15 C H42 . 51661 1 1425 . 2 . 2 16 16 DG H1 H 1 12.869 0.03 . 2 . . . . . 16 G H1 . 51661 1 1426 . 2 . 2 16 16 DG H1' H 1 5.832 0.03 . 1 . . . . . 16 G H1' . 51661 1 1427 . 2 . 2 16 16 DG H2' H 1 2.609 0.03 . 1 . . . . . 16 G H2' . 51661 1 1428 . 2 . 2 16 16 DG H2'' H 1 2.679 0.03 . 1 . . . . . 16 G H2'' . 51661 1 1429 . 2 . 2 16 16 DG H3' H 1 4.969 0.03 . 1 . . . . . 16 G H3' . 51661 1 1430 . 2 . 2 16 16 DG H4' H 1 4.333 0.03 . 1 . . . . . 16 G H4' . 51661 1 1431 . 2 . 2 16 16 DG H5' H 1 4.113 0.03 . 1 . . . . . 16 G H5' . 51661 1 1432 . 2 . 2 16 16 DG H5'' H 1 4.013 0.03 . 1 . . . . . 16 G H5'' . 51661 1 1433 . 2 . 2 16 16 DG H8 H 1 7.882 0.03 . 2 . . . . . 16 G H8 . 51661 1 1434 . 2 . 2 17 17 DC H1' H 1 5.761 0.03 . 1 . . . . . 17 C H1' . 51661 1 1435 . 2 . 2 17 17 DC H2' H 1 1.872 0.03 . 1 . . . . . 17 C H2' . 51661 1 1436 . 2 . 2 17 17 DC H2'' H 1 2.308 0.03 . 1 . . . . . 17 C H2'' . 51661 1 1437 . 2 . 2 17 17 DC H3' H 1 4.788 0.03 . 1 . . . . . 17 C H3' . 51661 1 1438 . 2 . 2 17 17 DC H4' H 1 4.181 0.03 . 1 . . . . . 17 C H4' . 51661 1 1439 . 2 . 2 17 17 DC H5 H 1 5.425 0.03 . 2 . . . . . 17 C H5 . 51661 1 1440 . 2 . 2 17 17 DC H5' H 1 4.081 0.03 . 1 . . . . . 17 C H5' . 51661 1 1441 . 2 . 2 17 17 DC H5'' H 1 4.127 0.03 . 1 . . . . . 17 C H5'' . 51661 1 1442 . 2 . 2 17 17 DC H6 H 1 7.302 0.03 . 2 . . . . . 17 C H6 . 51661 1 1443 . 2 . 2 17 17 DC H41 H 1 8.426 0.03 . 2 . . . . . 17 C H41 . 51661 1 1444 . 2 . 2 17 17 DC H42 H 1 6.521 0.03 . 2 . . . . . 17 C H42 . 51661 1 1445 . 2 . 2 18 18 DG H1' H 1 6.140 0.03 . 1 . . . . . 18 G H1' . 51661 1 1446 . 2 . 2 18 18 DG H2' H 1 2.362 0.03 . 1 . . . . . 18 G H2' . 51661 1 1447 . 2 . 2 18 18 DG H2'' H 1 2.598 0.03 . 1 . . . . . 18 G H2'' . 51661 1 1448 . 2 . 2 18 18 DG H3' H 1 4.663 0.03 . 1 . . . . . 18 G H3' . 51661 1 1449 . 2 . 2 18 18 DG H4' H 1 4.143 0.03 . 1 . . . . . 18 G H4' . 51661 1 1450 . 2 . 2 18 18 DG H5' H 1 4.065 0.03 . 1 . . . . . 18 G H5' . 51661 1 1451 . 2 . 2 18 18 DG H5'' H 1 4.063 0.03 . 1 . . . . . 18 G H5'' . 51661 1 1452 . 2 . 2 18 18 DG H8 H 1 7.919 0.03 . 2 . . . . . 18 G H8 . 51661 1 1453 . 3 . 3 1 1 DC H1' H 1 5.774 0.03 . 1 . . . . . 1 C H1' . 51661 1 1454 . 3 . 3 1 1 DC H2' H 1 1.934 0.03 . 1 . . . . . 1 C H2' . 51661 1 1455 . 3 . 3 1 1 DC H2'' H 1 2.384 0.03 . 1 . . . . . 1 C H2'' . 51661 1 1456 . 3 . 3 1 1 DC H3' H 1 4.683 0.03 . 1 . . . . . 1 C H3' . 51661 1 1457 . 3 . 3 1 1 DC H4' H 1 4.057 0.03 . 1 . . . . . 1 C H4' . 51661 1 1458 . 3 . 3 1 1 DC H5 H 1 5.908 0.03 . 2 . . . . . 1 C H5 . 51661 1 1459 . 3 . 3 1 1 DC H5' H 1 3.727 0.03 . 1 . . . . . 1 C H5' . 51661 1 1460 . 3 . 3 1 1 DC H5'' H 1 3.701 0.03 . 1 . . . . . 1 C H5'' . 51661 1 1461 . 3 . 3 1 1 DC H6 H 1 7.618 0.03 . 2 . . . . . 1 C H6 . 51661 1 1462 . 3 . 3 2 2 DG H1' H 1 5.864 0.03 . 1 . . . . . 2 G H1' . 51661 1 1463 . 3 . 3 2 2 DG H2' H 1 2.630 0.03 . 1 . . . . . 2 G H2' . 51661 1 1464 . 3 . 3 2 2 DG H2'' H 1 2.698 0.03 . 1 . . . . . 2 G H2'' . 51661 1 1465 . 3 . 3 2 2 DG H3' H 1 4.946 0.03 . 1 . . . . . 2 G H3' . 51661 1 1466 . 3 . 3 2 2 DG H4' H 1 4.324 0.03 . 1 . . . . . 2 G H4' . 51661 1 1467 . 3 . 3 2 2 DG H5' H 1 4.066 0.03 . 1 . . . . . 2 G H5' . 51661 1 1468 . 3 . 3 2 2 DG H5'' H 1 3.961 0.03 . 1 . . . . . 2 G H5'' . 51661 1 1469 . 3 . 3 2 2 DG H8 H 1 7.925 0.03 . 2 . . . . . 2 G H8 . 51661 1 1470 . 3 . 3 3 3 DC H1' H 1 5.600 0.03 . 1 . . . . . 3 C H1' . 51661 1 1471 . 3 . 3 3 3 DC H2' H 1 1.821 0.03 . 1 . . . . . 3 C H2' . 51661 1 1472 . 3 . 3 3 3 DC H2'' H 1 2.256 0.03 . 1 . . . . . 3 C H2'' . 51661 1 1473 . 3 . 3 3 3 DC H3' H 1 4.777 0.03 . 1 . . . . . 3 C H3' . 51661 1 1474 . 3 . 3 3 3 DC H4' H 1 4.163 0.03 . 1 . . . . . 3 C H4' . 51661 1 1475 . 3 . 3 3 3 DC H5 H 1 5.348 0.03 . 2 . . . . . 3 C H5 . 51661 1 1476 . 3 . 3 3 3 DC H5' H 1 4.115 0.03 . 1 . . . . . 3 C H5' . 51661 1 1477 . 3 . 3 3 3 DC H5'' H 1 4.087 0.03 . 1 . . . . . 3 C H5'' . 51661 1 1478 . 3 . 3 3 3 DC H6 H 1 7.244 0.03 . 2 . . . . . 3 C H6 . 51661 1 1479 . 3 . 3 3 3 DC H41 H 1 8.346 0.03 . 2 . . . . . 3 C H41 . 51661 1 1480 . 3 . 3 3 3 DC H42 H 1 6.357 0.03 . 2 . . . . . 3 C H42 . 51661 1 1481 . 3 . 3 4 4 DG H1 H 1 12.658 0.03 . 2 . . . . . 4 G H1 . 51661 1 1482 . 3 . 3 4 4 DG H1' H 1 5.416 0.03 . 1 . . . . . 4 G H1' . 51661 1 1483 . 3 . 3 4 4 DG H2' H 1 2.611 0.03 . 1 . . . . . 4 G H2' . 51661 1 1484 . 3 . 3 4 4 DG H2'' H 1 2.716 0.03 . 1 . . . . . 4 G H2'' . 51661 1 1485 . 3 . 3 4 4 DG H3' H 1 4.957 0.03 . 1 . . . . . 4 G H3' . 51661 1 1486 . 3 . 3 4 4 DG H4' H 1 4.283 0.03 . 1 . . . . . 4 G H4' . 51661 1 1487 . 3 . 3 4 4 DG H5' H 1 4.062 0.03 . 1 . . . . . 4 G H5' . 51661 1 1488 . 3 . 3 4 4 DG H5'' H 1 3.967 0.03 . 1 . . . . . 4 G H5'' . 51661 1 1489 . 3 . 3 4 4 DG H8 H 1 7.807 0.03 . 2 . . . . . 4 G H8 . 51661 1 1490 . 3 . 3 5 5 DA H1' H 1 5.940 0.03 . 1 . . . . . 5 A H1' . 51661 1 1491 . 3 . 3 5 5 DA H2' H 1 2.633 0.03 . 1 . . . . . 5 A H2' . 51661 1 1492 . 3 . 3 5 5 DA H2'' H 1 2.872 0.03 . 1 . . . . . 5 A H2'' . 51661 1 1493 . 3 . 3 5 5 DA H3' H 1 5.020 0.03 . 1 . . . . . 5 A H3' . 51661 1 1494 . 3 . 3 5 5 DA H4' H 1 4.408 0.03 . 1 . . . . . 5 A H4' . 51661 1 1495 . 3 . 3 5 5 DA H5' H 1 4.178 0.03 . 1 . . . . . 5 A H5' . 51661 1 1496 . 3 . 3 5 5 DA H5'' H 1 4.143 0.03 . 1 . . . . . 5 A H5'' . 51661 1 1497 . 3 . 3 5 5 DA H8 H 1 8.055 0.03 . 2 . . . . . 5 A H8 . 51661 1 1498 . 3 . 3 6 6 DA H1' H 1 6.070 0.03 . 1 . . . . . 6 A H1' . 51661 1 1499 . 3 . 3 6 6 DA H2' H 1 2.465 0.03 . 1 . . . . . 6 A H2' . 51661 1 1500 . 3 . 3 6 6 DA H2'' H 1 2.851 0.03 . 1 . . . . . 6 A H2'' . 51661 1 1501 . 3 . 3 6 6 DA H3' H 1 4.949 0.03 . 1 . . . . . 6 A H3' . 51661 1 1502 . 3 . 3 6 6 DA H4' H 1 4.403 0.03 . 1 . . . . . 6 A H4' . 51661 1 1503 . 3 . 3 6 6 DA H5' H 1 4.227 0.03 . 1 . . . . . 6 A H5' . 51661 1 1504 . 3 . 3 6 6 DA H5'' H 1 4.205 0.03 . 1 . . . . . 6 A H5'' . 51661 1 1505 . 3 . 3 6 6 DA H8 H 1 8.020 0.03 . 2 . . . . . 6 A H8 . 51661 1 1506 . 3 . 3 7 7 DT H1' H 1 5.621 0.03 . 1 . . . . . 7 T H1' . 51661 1 1507 . 3 . 3 7 7 DT H2' H 1 2.004 0.03 . 1 . . . . . 7 T H2' . 51661 1 1508 . 3 . 3 7 7 DT H2'' H 1 2.437 0.03 . 1 . . . . . 7 T H2'' . 51661 1 1509 . 3 . 3 7 7 DT H3' H 1 4.825 0.03 . 1 . . . . . 7 T H3' . 51661 1 1510 . 3 . 3 7 7 DT H4' H 1 4.236 0.03 . 1 . . . . . 7 T H4' . 51661 1 1511 . 3 . 3 7 7 DT H5' H 1 4.165 0.03 . 1 . . . . . 7 T H5' . 51661 1 1512 . 3 . 3 7 7 DT H5'' H 1 4.106 0.03 . 1 . . . . . 7 T H5'' . 51661 1 1513 . 3 . 3 7 7 DT H6 H 1 7.002 0.03 . 2 . . . . . 7 T H6 . 51661 1 1514 . 3 . 3 7 7 DT H71 H 1 1.287 0.03 . 1 . . . . . 7 T H71 . 51661 1 1515 . 3 . 3 8 8 DA H1' H 1 6.157 0.03 . 1 . . . . . 8 A H1' . 51661 1 1516 . 3 . 3 8 8 DA H2' H 1 2.544 0.03 . 1 . . . . . 8 A H2' . 51661 1 1517 . 3 . 3 8 8 DA H2'' H 1 2.883 0.03 . 1 . . . . . 8 A H2'' . 51661 1 1518 . 3 . 3 8 8 DA H3' H 1 4.970 0.03 . 1 . . . . . 8 A H3' . 51661 1 1519 . 3 . 3 8 8 DA H4' H 1 4.376 0.03 . 1 . . . . . 8 A H4' . 51661 1 1520 . 3 . 3 8 8 DA H5' H 1 4.160 0.03 . 1 . . . . . 8 A H5' . 51661 1 1521 . 3 . 3 8 8 DA H5'' H 1 4.114 0.03 . 1 . . . . . 8 A H5'' . 51661 1 1522 . 3 . 3 8 8 DA H8 H 1 8.152 0.03 . 2 . . . . . 8 A H8 . 51661 1 1523 . 3 . 3 9 9 DT H1' H 1 5.643 0.03 . 1 . . . . . 9 T H1' . 51661 1 1524 . 3 . 3 9 9 DT H2' H 1 2.034 0.03 . 1 . . . . . 9 T H2' . 51661 1 1525 . 3 . 3 9 9 DT H2'' H 1 2.457 0.03 . 1 . . . . . 9 T H2'' . 51661 1 1526 . 3 . 3 9 9 DT H3' H 1 4.849 0.03 . 1 . . . . . 9 T H3' . 51661 1 1527 . 3 . 3 9 9 DT H4' H 1 4.248 0.03 . 1 . . . . . 9 T H4' . 51661 1 1528 . 3 . 3 9 9 DT H5' H 1 4.189 0.03 . 1 . . . . . 9 T H5' . 51661 1 1529 . 3 . 3 9 9 DT H5'' H 1 4.131 0.03 . 1 . . . . . 9 T H5'' . 51661 1 1530 . 3 . 3 9 9 DT H6 H 1 7.081 0.03 . 2 . . . . . 9 T H6 . 51661 1 1531 . 3 . 3 9 9 DT H71 H 1 1.288 0.03 . 1 . . . . . 9 T H71 . 51661 1 1532 . 3 . 3 10 10 DA H1' H 1 6.159 0.03 . 1 . . . . . 10 A H1' . 51661 1 1533 . 3 . 3 10 10 DA H2' H 1 2.559 0.03 . 1 . . . . . 10 A H2' . 51661 1 1534 . 3 . 3 10 10 DA H2'' H 1 2.881 0.03 . 1 . . . . . 10 A H2'' . 51661 1 1535 . 3 . 3 10 10 DA H3' H 1 4.976 0.03 . 1 . . . . . 10 A H3' . 51661 1 1536 . 3 . 3 10 10 DA H8 H 1 8.167 0.03 . 2 . . . . . 10 A H8 . 51661 1 1537 . 3 . 3 11 11 DT H1' H 1 5.658 0.03 . 1 . . . . . 11 T H1' . 51661 1 1538 . 3 . 3 11 11 DT H2' H 1 2.084 0.03 . 1 . . . . . 11 T H2' . 51661 1 1539 . 3 . 3 11 11 DT H2'' H 1 2.488 0.03 . 1 . . . . . 11 T H2'' . 51661 1 1540 . 3 . 3 11 11 DT H3' H 1 4.863 0.03 . 1 . . . . . 11 T H3' . 51661 1 1541 . 3 . 3 11 11 DT H4' H 1 4.244 0.03 . 1 . . . . . 11 T H4' . 51661 1 1542 . 3 . 3 11 11 DT H5' H 1 4.196 0.03 . 1 . . . . . 11 T H5' . 51661 1 1543 . 3 . 3 11 11 DT H5'' H 1 4.137 0.03 . 1 . . . . . 11 T H5'' . 51661 1 1544 . 3 . 3 11 11 DT H6 H 1 7.107 0.03 . 2 . . . . . 11 T H6 . 51661 1 1545 . 3 . 3 11 11 DT H71 H 1 1.315 0.03 . 1 . . . . . 11 T H71 . 51661 1 1546 . 3 . 3 12 12 DA H1' H 1 6.205 0.03 . 1 . . . . . 12 A H1' . 51661 1 1547 . 3 . 3 12 12 DA H2' H 1 2.608 0.03 . 1 . . . . . 12 A H2' . 51661 1 1548 . 3 . 3 12 12 DA H2'' H 1 2.913 0.03 . 1 . . . . . 12 A H2'' . 51661 1 1549 . 3 . 3 12 12 DA H3' H 1 4.994 0.03 . 1 . . . . . 12 A H3' . 51661 1 1550 . 3 . 3 12 12 DA H4' H 1 4.404 0.03 . 1 . . . . . 12 A H4' . 51661 1 1551 . 3 . 3 12 12 DA H5' H 1 4.194 0.03 . 1 . . . . . 12 A H5' . 51661 1 1552 . 3 . 3 12 12 DA H5'' H 1 4.144 0.03 . 1 . . . . . 12 A H5'' . 51661 1 1553 . 3 . 3 12 12 DA H8 H 1 8.200 0.03 . 2 . . . . . 12 A H8 . 51661 1 1554 . 3 . 3 13 13 DT H1' H 1 5.928 0.03 . 1 . . . . . 13 T H1' . 51661 1 1555 . 3 . 3 13 13 DT H2' H 1 2.022 0.03 . 1 . . . . . 13 T H2' . 51661 1 1556 . 3 . 3 13 13 DT H2'' H 1 2.542 0.03 . 1 . . . . . 13 T H2'' . 51661 1 1557 . 3 . 3 13 13 DT H3' H 1 4.833 0.03 . 1 . . . . . 13 T H3' . 51661 1 1558 . 3 . 3 13 13 DT H4' H 1 4.302 0.03 . 1 . . . . . 13 T H4' . 51661 1 1559 . 3 . 3 13 13 DT H5' H 1 4.199 0.03 . 1 . . . . . 13 T H5' . 51661 1 1560 . 3 . 3 13 13 DT H5'' H 1 4.156 0.03 . 1 . . . . . 13 T H5'' . 51661 1 1561 . 3 . 3 13 13 DT H6 H 1 7.156 0.03 . 2 . . . . . 13 T H6 . 51661 1 1562 . 3 . 3 13 13 DT H71 H 1 1.264 0.03 . 1 . . . . . 13 T H71 . 51661 1 1563 . 3 . 3 14 14 DT H1' H 1 6.044 0.03 . 1 . . . . . 14 T H1' . 51661 1 1564 . 3 . 3 14 14 DT H2' H 1 2.145 0.03 . 1 . . . . . 14 T H2' . 51661 1 1565 . 3 . 3 14 14 DT H2'' H 1 2.501 0.03 . 1 . . . . . 14 T H2'' . 51661 1 1566 . 3 . 3 14 14 DT H3' H 1 4.877 0.03 . 1 . . . . . 14 T H3' . 51661 1 1567 . 3 . 3 14 14 DT H4' H 1 4.163 0.03 . 1 . . . . . 14 T H4' . 51661 1 1568 . 3 . 3 14 14 DT H5' H 1 4.098 0.03 . 1 . . . . . 14 T H5' . 51661 1 1569 . 3 . 3 14 14 DT H5'' H 1 4.098 0.03 . 1 . . . . . 14 T H5'' . 51661 1 1570 . 3 . 3 14 14 DT H6 H 1 7.345 0.03 . 2 . . . . . 14 T H6 . 51661 1 1571 . 3 . 3 14 14 DT H71 H 1 1.531 0.03 . 1 . . . . . 14 T H71 . 51661 1 1572 . 3 . 3 15 15 DC H1' H 1 5.639 0.03 . 1 . . . . . 15 C H1' . 51661 1 1573 . 3 . 3 15 15 DC H2' H 1 2.050 0.03 . 1 . . . . . 15 C H2' . 51661 1 1574 . 3 . 3 15 15 DC H2'' H 1 2.386 0.03 . 1 . . . . . 15 C H2'' . 51661 1 1575 . 3 . 3 15 15 DC H3' H 1 4.849 0.03 . 1 . . . . . 15 C H3' . 51661 1 1576 . 3 . 3 15 15 DC H4' H 1 4.164 0.03 . 1 . . . . . 15 C H4' . 51661 1 1577 . 3 . 3 15 15 DC H5 H 1 5.625 0.03 . 2 . . . . . 15 C H5 . 51661 1 1578 . 3 . 3 15 15 DC H5' H 1 4.117 0.03 . 1 . . . . . 15 C H5' . 51661 1 1579 . 3 . 3 15 15 DC H5'' H 1 4.089 0.03 . 1 . . . . . 15 C H5'' . 51661 1 1580 . 3 . 3 15 15 DC H6 H 1 7.447 0.03 . 2 . . . . . 15 C H6 . 51661 1 1581 . 3 . 3 15 15 DC H41 H 1 8.387 0.03 . 2 . . . . . 15 C H41 . 51661 1 1582 . 3 . 3 15 15 DC H42 H 1 6.746 0.03 . 2 . . . . . 15 C H42 . 51661 1 1583 . 3 . 3 16 16 DG H1 H 1 12.869 0.03 . 2 . . . . . 16 G H1 . 51661 1 1584 . 3 . 3 16 16 DG H1' H 1 5.832 0.03 . 1 . . . . . 16 G H1' . 51661 1 1585 . 3 . 3 16 16 DG H2' H 1 2.609 0.03 . 1 . . . . . 16 G H2' . 51661 1 1586 . 3 . 3 16 16 DG H2'' H 1 2.679 0.03 . 1 . . . . . 16 G H2'' . 51661 1 1587 . 3 . 3 16 16 DG H3' H 1 4.969 0.03 . 1 . . . . . 16 G H3' . 51661 1 1588 . 3 . 3 16 16 DG H4' H 1 4.333 0.03 . 1 . . . . . 16 G H4' . 51661 1 1589 . 3 . 3 16 16 DG H5' H 1 4.113 0.03 . 1 . . . . . 16 G H5' . 51661 1 1590 . 3 . 3 16 16 DG H5'' H 1 4.013 0.03 . 1 . . . . . 16 G H5'' . 51661 1 1591 . 3 . 3 16 16 DG H8 H 1 7.882 0.03 . 2 . . . . . 16 G H8 . 51661 1 1592 . 3 . 3 17 17 DC H1' H 1 5.761 0.03 . 1 . . . . . 17 C H1' . 51661 1 1593 . 3 . 3 17 17 DC H2' H 1 1.872 0.03 . 1 . . . . . 17 C H2' . 51661 1 1594 . 3 . 3 17 17 DC H2'' H 1 2.308 0.03 . 1 . . . . . 17 C H2'' . 51661 1 1595 . 3 . 3 17 17 DC H3' H 1 4.788 0.03 . 1 . . . . . 17 C H3' . 51661 1 1596 . 3 . 3 17 17 DC H4' H 1 4.181 0.03 . 1 . . . . . 17 C H4' . 51661 1 1597 . 3 . 3 17 17 DC H5 H 1 5.425 0.03 . 2 . . . . . 17 C H5 . 51661 1 1598 . 3 . 3 17 17 DC H5' H 1 4.081 0.03 . 1 . . . . . 17 C H5' . 51661 1 1599 . 3 . 3 17 17 DC H5'' H 1 4.127 0.03 . 1 . . . . . 17 C H5'' . 51661 1 1600 . 3 . 3 17 17 DC H6 H 1 7.302 0.03 . 2 . . . . . 17 C H6 . 51661 1 1601 . 3 . 3 17 17 DC H41 H 1 8.426 0.03 . 2 . . . . . 17 C H41 . 51661 1 1602 . 3 . 3 17 17 DC H42 H 1 6.521 0.03 . 2 . . . . . 17 C H42 . 51661 1 1603 . 3 . 3 18 18 DG H1' H 1 6.140 0.03 . 1 . . . . . 18 G H1' . 51661 1 1604 . 3 . 3 18 18 DG H2' H 1 2.362 0.03 . 1 . . . . . 18 G H2' . 51661 1 1605 . 3 . 3 18 18 DG H2'' H 1 2.598 0.03 . 1 . . . . . 18 G H2'' . 51661 1 1606 . 3 . 3 18 18 DG H3' H 1 4.663 0.03 . 1 . . . . . 18 G H3' . 51661 1 1607 . 3 . 3 18 18 DG H4' H 1 4.143 0.03 . 1 . . . . . 18 G H4' . 51661 1 1608 . 3 . 3 18 18 DG H5' H 1 4.065 0.03 . 1 . . . . . 18 G H5' . 51661 1 1609 . 3 . 3 18 18 DG H5'' H 1 4.063 0.03 . 1 . . . . . 18 G H5'' . 51661 1 1610 . 3 . 3 18 18 DG H8 H 1 7.919 0.03 . 2 . . . . . 18 G H8 . 51661 1 stop_ save_