data_53818 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53818 _Entry.Title ; MucRCTD 3A3T-DNA complex chemical shifts ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2026-05-24 _Entry.Accession_date 2026-05-24 _Entry.Last_release_date 2026-05-26 _Entry.Original_release_date 2026-05-26 _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 ; Backbone and side-chain 1H, 13C, and 15N resonances of the C-terminal domain of MucR (MucRCTD) (excluding 13C' resonances) and 1H and sugar 13C resonances of ds3A3T-DNA d(CGCAAATTTGCG)2 in the complex were assigned using solution NMR spectroscopy. The complex was prepared with uniformly 15N- and 13C-labeled MucRCTD (0.3 mM) and unlabeled 3A3T-DNA(3 mM) at a 1:10 molar ratio. Samples were prepared in 50 mM sodium dihydrogen phosphate buffer (pH 7.0) containing 50 mM NaCl, 10 mM ZnSO4, 1x EDTA-free protease inhibitor cocktail (Roche), 5% D2O, and 0.01% DSS, and NMR spectra were acquired at 308 K on 500, 800, and 950 MHz spectrometers. ; _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 Miaomiao Qi . . . 0009-0004-4067-6176 53818 2 Bo Duan . . . 0000-0003-0018-4092 53818 3 Bin Xia . . . 0000-0002-2197-6403 53818 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Beijing Nuclear Magnetic Resonance Center, Peking University' . 53818 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53818 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 493 53818 '15N chemical shifts' 88 53818 '1H chemical shifts' 829 53818 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 . . 2026-08-04 . original BMRB . 53818 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53818 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 13C, and 15N resonance assignments of the DNA binding domain of MucR from Brucella abortus in complex with DNA ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Appl. Magn. Reson.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2026 _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 Miaomiao Qi . . . . 53818 1 2 Bo Duan . . . . 53818 1 3 Bin Xia . . . . 53818 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'MucR, solution NMR, DNA binding, resonance assignment' 53818 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53818 _Assembly.ID 1 _Assembly.Name 'MucRCTD/3A3T-DNA complex with Zn2+' _Assembly.BMRB_code . _Assembly.Number_of_components 4 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 1 _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 17197.509 _Assembly.Enzyme_commission_number . _Assembly.Details 'The C-terminal domain of MucR coordinates a single zinc ion and binds specifically to an AT-rich double-stranded DNA sequence.' _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 MucRCTD 1 $entity_1 . . yes native no no . ligand ; C-terminal domain of MucR from Brucella abortus, residues 61-135; expressed in E. coli; purified by Ni-NTA affinity chromatography and SEC. ; 53818 1 2 '3A3T-DNA, chain 1' 2 $entity_2 . . yes native no no . ligand "Synthetic AT-rich double-stranded DNA duplex, sequence: 5'-CGCAAATTTGCG-3' ; length: 12 bp" 53818 1 3 '3A3T-DNA, chain 2' 2 $entity_2 . . yes native no no . ligand "Synthetic AT-rich double-stranded DNA duplex, sequence: 5'-CGCAAATTTGCG-3' ; length: 12 bp" 53818 1 4 'zinc ion' 3 $entity_ZN . . no native no no . cofactor 'Bound to protein via coordination with Cys80, Asp83,His93 and His97 residues, essential for structural stability.' 53818 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 . 1 CYS 21 21 SG . 4 . 3 ZN 1 1 ZN . . . 80 CYS SG . . . . . . 53818 1 2 coordination single . 1 . 1 ASP 24 24 OD2 . 4 . 3 ZN 1 1 ZN . . . 83 ASP OD2 . . . . . . 53818 1 3 coordination single . 1 . 1 HIS 34 34 NE2 . 4 . 3 ZN 1 1 ZN . . . 93 HIS NE2 . . . . . . 53818 1 4 coordination single . 1 . 1 HIS 38 38 NE2 . 4 . 3 ZN 1 1 ZN . . . 97 HIS NE2 . . . . . . 53818 1 stop_ loop_ _Assembly_interaction.ID _Assembly_interaction.Entity_assembly_ID_1 _Assembly_interaction.Entity_assembly_ID_2 _Assembly_interaction.Mol_interaction_type _Assembly_interaction.Entry_ID _Assembly_interaction.Assembly_ID 1 1 2 'Intermediate exchange' 53818 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Structural and biophysical characterization of protein-DNA interaction.' 53818 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53818 _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 ; MEKPKPAVNPKKSVHDDYIV CLEDGKKFKSLKRHLVTHYN MTPEQYREKWDLDPNYPMVA PNYAAARSRLAKKMGLEHHH HHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; Chemical shifts are reported using the residue numbering of full-length MucR (UniProt ID: Q2YMR3). Internal sequence positions 2 to 76 correspond to author residues 61 to 135, respectively. The N-terminal methionine (position 1) and C-terminal 6xHis tag (positions 77-83) are not included in the author numbering scheme. ; _Entity.Polymer_author_seq_details 'The N-terminal methionine and C-terminal 6xHis tag are present in the sample but were not assigned in the NMR spectrum.' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites yes _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 83 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'DNA-binding domain(residue 61-135)' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9841.3 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; The protein binds one Zn2+ ion coordinated by Cys80, Asp83, His93 and His97 residues. The single cysteine residue is coordinated to a zinc ion in a zinc finger motif and is not in a free thiol or disulfide state. ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP Q2YMR3 . MucR . . . . . . . . . . . . . . 53818 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID ; The DNA-binding domain includes a CDHH-type zinc finger and is responsible for selective recognition of AT-rich motifs in xenogeneic DNA. ; 53818 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 60 MET . 53818 1 2 61 GLU . 53818 1 3 62 LYS . 53818 1 4 63 PRO . 53818 1 5 64 LYS . 53818 1 6 65 PRO . 53818 1 7 66 ALA . 53818 1 8 67 VAL . 53818 1 9 68 ASN . 53818 1 10 69 PRO . 53818 1 11 70 LYS . 53818 1 12 71 LYS . 53818 1 13 72 SER . 53818 1 14 73 VAL . 53818 1 15 74 HIS . 53818 1 16 75 ASP . 53818 1 17 76 ASP . 53818 1 18 77 TYR . 53818 1 19 78 ILE . 53818 1 20 79 VAL . 53818 1 21 80 CYS . 53818 1 22 81 LEU . 53818 1 23 82 GLU . 53818 1 24 83 ASP . 53818 1 25 84 GLY . 53818 1 26 85 LYS . 53818 1 27 86 LYS . 53818 1 28 87 PHE . 53818 1 29 88 LYS . 53818 1 30 89 SER . 53818 1 31 90 LEU . 53818 1 32 91 LYS . 53818 1 33 92 ARG . 53818 1 34 93 HIS . 53818 1 35 94 LEU . 53818 1 36 95 VAL . 53818 1 37 96 THR . 53818 1 38 97 HIS . 53818 1 39 98 TYR . 53818 1 40 99 ASN . 53818 1 41 100 MET . 53818 1 42 101 THR . 53818 1 43 102 PRO . 53818 1 44 103 GLU . 53818 1 45 104 GLN . 53818 1 46 105 TYR . 53818 1 47 106 ARG . 53818 1 48 107 GLU . 53818 1 49 108 LYS . 53818 1 50 109 TRP . 53818 1 51 110 ASP . 53818 1 52 111 LEU . 53818 1 53 112 ASP . 53818 1 54 113 PRO . 53818 1 55 114 ASN . 53818 1 56 115 TYR . 53818 1 57 116 PRO . 53818 1 58 117 MET . 53818 1 59 118 VAL . 53818 1 60 119 ALA . 53818 1 61 120 PRO . 53818 1 62 121 ASN . 53818 1 63 122 TYR . 53818 1 64 123 ALA . 53818 1 65 124 ALA . 53818 1 66 125 ALA . 53818 1 67 126 ARG . 53818 1 68 127 SER . 53818 1 69 128 ARG . 53818 1 70 129 LEU . 53818 1 71 130 ALA . 53818 1 72 131 LYS . 53818 1 73 132 LYS . 53818 1 74 133 MET . 53818 1 75 134 GLY . 53818 1 76 135 LEU . 53818 1 77 136 GLU . 53818 1 78 137 HIS . 53818 1 79 138 HIS . 53818 1 80 139 HIS . 53818 1 81 140 HIS . 53818 1 82 141 HIS . 53818 1 83 142 HIS . 53818 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 53818 1 . GLU 2 2 53818 1 . LYS 3 3 53818 1 . PRO 4 4 53818 1 . LYS 5 5 53818 1 . PRO 6 6 53818 1 . ALA 7 7 53818 1 . VAL 8 8 53818 1 . ASN 9 9 53818 1 . PRO 10 10 53818 1 . LYS 11 11 53818 1 . LYS 12 12 53818 1 . SER 13 13 53818 1 . VAL 14 14 53818 1 . HIS 15 15 53818 1 . ASP 16 16 53818 1 . ASP 17 17 53818 1 . TYR 18 18 53818 1 . ILE 19 19 53818 1 . VAL 20 20 53818 1 . CYS 21 21 53818 1 . LEU 22 22 53818 1 . GLU 23 23 53818 1 . ASP 24 24 53818 1 . GLY 25 25 53818 1 . LYS 26 26 53818 1 . LYS 27 27 53818 1 . PHE 28 28 53818 1 . LYS 29 29 53818 1 . SER 30 30 53818 1 . LEU 31 31 53818 1 . LYS 32 32 53818 1 . ARG 33 33 53818 1 . HIS 34 34 53818 1 . LEU 35 35 53818 1 . VAL 36 36 53818 1 . THR 37 37 53818 1 . HIS 38 38 53818 1 . TYR 39 39 53818 1 . ASN 40 40 53818 1 . MET 41 41 53818 1 . THR 42 42 53818 1 . PRO 43 43 53818 1 . GLU 44 44 53818 1 . GLN 45 45 53818 1 . TYR 46 46 53818 1 . ARG 47 47 53818 1 . GLU 48 48 53818 1 . LYS 49 49 53818 1 . TRP 50 50 53818 1 . ASP 51 51 53818 1 . LEU 52 52 53818 1 . ASP 53 53 53818 1 . PRO 54 54 53818 1 . ASN 55 55 53818 1 . TYR 56 56 53818 1 . PRO 57 57 53818 1 . MET 58 58 53818 1 . VAL 59 59 53818 1 . ALA 60 60 53818 1 . PRO 61 61 53818 1 . ASN 62 62 53818 1 . TYR 63 63 53818 1 . ALA 64 64 53818 1 . ALA 65 65 53818 1 . ALA 66 66 53818 1 . ARG 67 67 53818 1 . SER 68 68 53818 1 . ARG 69 69 53818 1 . LEU 70 70 53818 1 . ALA 71 71 53818 1 . LYS 72 72 53818 1 . LYS 73 73 53818 1 . MET 74 74 53818 1 . GLY 75 75 53818 1 . LEU 76 76 53818 1 . GLU 77 77 53818 1 . HIS 78 78 53818 1 . HIS 79 79 53818 1 . HIS 80 80 53818 1 . HIS 81 81 53818 1 . HIS 82 82 53818 1 . HIS 83 83 53818 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 53818 _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 ; CGCAAATTTGCG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 1 _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 12 _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 3645.4 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; Entity_2 is a palindromic double-stranded DNA (3A3T-DNA, 12bp), correspomnd to residues 1-24 of DNA in the chemical shift list. Howerer, only the sequence of forward strand and its formula mass are showed. ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . DC . 53818 2 2 . DG . 53818 2 3 . DC . 53818 2 4 . DA . 53818 2 5 . DA . 53818 2 6 . DA . 53818 2 7 . DT . 53818 2 8 . DT . 53818 2 9 . DT . 53818 2 10 . DG . 53818 2 11 . DC . 53818 2 12 . DG . 53818 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 53818 2 . DG 2 2 53818 2 . DC 3 3 53818 2 . DA 4 4 53818 2 . DA 5 5 53818 2 . DA 6 6 53818 2 . DT 7 7 53818 2 . DT 8 8 53818 2 . DT 9 9 53818 2 . DG 10 10 53818 2 . DC 11 11 53818 2 . DG 12 12 53818 2 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 53818 _Entity.ID 3 _Entity.BMRB_code ZN _Entity.Name entity_ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 53818 3 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 53818 3 ZN 'Three letter code' 53818 3 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 1 ZN $chem_comp_ZN 53818 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 53818 _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 . 235 organism . 'Brucella abortus' 'Brucella abortus' . . Bacteria . Brucella abortus 2308 . . . . . . . . . . mucR 'Expressed in E. coli with C-terminal 6x His-tag; purified by Ni-NTA chromatography and SEC.' 53818 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 53818 _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 BL21 . . plasmid . . pET-21b . . 'Expressed with C-terminal 6x His-tag; induced with IPTG at 35degC for 6 h.' 53818 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 53818 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 53818 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 53818 ZN [Zn++] SMILES CACTVS 3.341 53818 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 53818 ZN [Zn+2] SMILES ACDLabs 10.04 53818 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 53818 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 53818 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 53818 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 53818 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 N N . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 53818 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53818 _Sample.ID 1 _Sample.Name sample_1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; MucRCTD: 0.3 mM; 3A3T-DNA: 3 mM; Buffer: 50 mM NaH2PO4, 50 mM NaCl, 10 mM ZnSO4, 1x EDTA-free protease inhibitor cocktail(Roche), 5% D2O, and 0.01% DSS, pH 7.0; Temperature: 308K. ; _Sample.Aggregate_sample_number 1 _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 MucRCTD '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.3 . . mM . . . . 53818 1 2 '3A3T-DNA, chain 1' 'natural abundance' . . 2 $entity_2 . . 3 . . mM . . . . 53818 1 3 '3A3T-DNA, chain 2' 'natural abundance' . . 2 $entity_2 . . 3 . . mM . . . . 53818 1 4 NaH2PO4 'natural abundance' . . . . . . 50 . . mM . . . . 53818 1 5 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 53818 1 6 ZnSO4 'natural abundance' . . . . . . 10 . . mM . . . . 53818 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 53818 _Sample_condition_list.ID 1 _Sample_condition_list.Name sample_conditions_1 _Sample_condition_list.Details 'for chemical shift assignment' 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' 0.13 . M 53818 1 pH 7.0 . pH 53818 1 pressure 1 . atm 53818 1 temperature 308 . K 53818 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53818 _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 . 53818 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 53818 _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' . 53818 2 'data analysis' . 53818 2 'peak picking' . 53818 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 53818 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance 500 MHz' _NMR_spectrometer.Details '5 mm 1H/13C/15N triple resonance probe, cryoprobe enabled' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 53818 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'Bruker Avance 800 MHz' _NMR_spectrometer.Details '5 mm 1H/13C/15N triple resonance probe, cryoprobe enabled' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 53818 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name 'Bruker Avance 950 MHz' _NMR_spectrometer.Details '5 mm 1H/13C/15N triple resonance probe, cryoprobe enabled' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 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 53818 _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 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53818 1 2 '3D CBCA(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53818 1 3 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53818 1 4 '3D HBHA(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53818 1 5 '3D (H)CCH-TOCSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53818 1 6 '3D HCCH-COSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53818 1 7 '3D (H)CCH-COSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53818 1 8 '2D 1H-13C HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53818 1 9 '2D 1H-13C HSQC aromatic' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53818 1 10 '3D 1H-15N NOESY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 53818 1 11 '3D 1H-13C NOESY aliphatic' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 53818 1 12 '3D 1H-13C NOESY aromatic' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 53818 1 13 '2D 1H-1H NOESY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53818 1 14 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . ; Optimized for assignment of histidine imidazole side-chain resonances, including HD2 and HE1 protons and ND1 and NE2 nitrogens, through long-range (JHN) 1H15N correlations. ; 53818 1 15 '2D 1H-13C HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 'Optimized for assignment of DNA sugar carbon resonances and confirmation of DNA sugar proton assignments.' 53818 1 16 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53818 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 53818 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS_Reference_Set _Chem_shift_reference.Details 'All shifts referenced to DSS' 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 0.00 na indirect 0.251449530 . . . . . 53818 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 53818 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 53818 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 53818 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Assigned chemical shift_1' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 'assignment verified by NOE connectivity.' _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' . . . 53818 1 2 '3D CBCA(CO)NH' . . . 53818 1 3 '3D HNCACB' . . . 53818 1 4 '3D HBHA(CO)NH' . . . 53818 1 5 '3D (H)CCH-TOCSY' . . . 53818 1 6 '3D HCCH-COSY' . . . 53818 1 7 '3D (H)CCH-COSY' . . . 53818 1 8 '2D 1H-13C HSQC' . . . 53818 1 9 '2D 1H-13C HSQC aromatic' . . . 53818 1 10 '3D 1H-15N NOESY' . . . 53818 1 11 '3D 1H-13C NOESY aliphatic' . . . 53818 1 12 '3D 1H-13C NOESY aromatic' . . . 53818 1 13 '2D 1H-1H NOESY' . . . 53818 1 14 '2D 1H-15N HSQC' . . . 53818 1 15 '2D 1H-13C HSQC' . . . 53818 1 16 '3D HNCO' . . . 53818 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 . . 53818 1 2 $software_2 . . 53818 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 4.173 . . 1 . . . . . 60 MET HA . 53818 1 2 . 1 . 1 1 1 MET HB2 H 1 1.850 . . 2 . . . . . 60 MET HB2 . 53818 1 3 . 1 . 1 1 1 MET HB3 H 1 1.906 . . 2 . . . . . 60 MET HB3 . 53818 1 4 . 1 . 1 1 1 MET HG2 H 1 2.187 . . 2 . . . . . 60 MET HG2 . 53818 1 5 . 1 . 1 1 1 MET HG3 H 1 2.090 . . 2 . . . . . 60 MET HG3 . 53818 1 6 . 1 . 1 1 1 MET HE1 H 1 2.097 . . 1 . . . . . 60 MET HE1 . 53818 1 7 . 1 . 1 1 1 MET HE2 H 1 2.097 . . 1 . . . . . 60 MET HE1 . 53818 1 8 . 1 . 1 1 1 MET HE3 H 1 2.097 . . 1 . . . . . 60 MET HE1 . 53818 1 9 . 1 . 1 1 1 MET C C 13 176.395 . . 1 . . . . . 60 MET C . 53818 1 10 . 1 . 1 1 1 MET CA C 13 56.968 . . 1 . . . . . 60 MET CA . 53818 1 11 . 1 . 1 1 1 MET CB C 13 30.176 . . 1 . . . . . 60 MET CB . 53818 1 12 . 1 . 1 1 1 MET CG C 13 36.169 . . 1 . . . . . 60 MET CG . 53818 1 13 . 1 . 1 1 1 MET CE C 13 16.800 . . 1 . . . . . 60 MET CE . 53818 1 14 . 1 . 1 2 2 GLU H H 1 8.067 . . 1 . . . . . 61 GLU HN . 53818 1 15 . 1 . 1 2 2 GLU HA H 1 4.351 . . 1 . . . . . 61 GLU HA . 53818 1 16 . 1 . 1 2 2 GLU HB2 H 1 2.015 . . 2 . . . . . 61 GLU HB2 . 53818 1 17 . 1 . 1 2 2 GLU HB3 H 1 1.915 . . 2 . . . . . 61 GLU HB3 . 53818 1 18 . 1 . 1 2 2 GLU HG2 H 1 2.274 . . 2 . . . . . 61 GLU HG2 . 53818 1 19 . 1 . 1 2 2 GLU HG3 H 1 2.274 . . 2 . . . . . 61 GLU HG3 . 53818 1 20 . 1 . 1 2 2 GLU C C 13 175.811 . . 1 . . . . . 61 GLU C . 53818 1 21 . 1 . 1 2 2 GLU CA C 13 56.171 . . 1 . . . . . 61 GLU CA . 53818 1 22 . 1 . 1 2 2 GLU CB C 13 30.579 . . 1 . . . . . 61 GLU CB . 53818 1 23 . 1 . 1 2 2 GLU CG C 13 36.166 . . 1 . . . . . 61 GLU CG . 53818 1 24 . 1 . 1 2 2 GLU N N 15 119.119 . . 1 . . . . . 61 GLU N . 53818 1 25 . 1 . 1 3 3 LYS H H 1 8.409 . . 1 . . . . . 62 LYS HN . 53818 1 26 . 1 . 1 3 3 LYS HA H 1 4.505 . . 1 . . . . . 62 LYS HA . 53818 1 27 . 1 . 1 3 3 LYS HB2 H 1 1.700 . . 2 . . . . . 62 LYS HB2 . 53818 1 28 . 1 . 1 3 3 LYS HB3 H 1 1.828 . . 2 . . . . . 62 LYS HB3 . 53818 1 29 . 1 . 1 3 3 LYS HG2 H 1 1.451 . . 2 . . . . . 62 LYS HG2 . 53818 1 30 . 1 . 1 3 3 LYS HG3 H 1 1.502 . . 2 . . . . . 62 LYS HG3 . 53818 1 31 . 1 . 1 3 3 LYS HD2 H 1 1.687 . . 2 . . . . . 62 LYS HD2 . 53818 1 32 . 1 . 1 3 3 LYS HD3 H 1 1.687 . . 2 . . . . . 62 LYS HD3 . 53818 1 33 . 1 . 1 3 3 LYS HE2 H 1 3.005 . . 2 . . . . . 62 LYS HE2 . 53818 1 34 . 1 . 1 3 3 LYS HE3 H 1 3.005 . . 2 . . . . . 62 LYS HE3 . 53818 1 35 . 1 . 1 3 3 LYS CA C 13 54.222 . . 1 . . . . . 62 LYS CA . 53818 1 36 . 1 . 1 3 3 LYS CB C 13 32.468 . . 1 . . . . . 62 LYS CB . 53818 1 37 . 1 . 1 3 3 LYS CG C 13 24.791 . . 1 . . . . . 62 LYS CG . 53818 1 38 . 1 . 1 3 3 LYS CD C 13 29.144 . . 1 . . . . . 62 LYS CD . 53818 1 39 . 1 . 1 3 3 LYS CE C 13 42.211 . . 1 . . . . . 62 LYS CE . 53818 1 40 . 1 . 1 3 3 LYS N N 15 124.518 . . 1 . . . . . 62 LYS N . 53818 1 41 . 1 . 1 4 4 PRO HA H 1 4.447 . . 1 . . . . . 63 PRO HA . 53818 1 42 . 1 . 1 4 4 PRO HB2 H 1 2.079 . . 2 . . . . . 63 PRO HB2 . 53818 1 43 . 1 . 1 4 4 PRO HB3 H 1 1.791 . . 2 . . . . . 63 PRO HB3 . 53818 1 44 . 1 . 1 4 4 PRO HG2 H 1 1.594 . . 2 . . . . . 63 PRO HG2 . 53818 1 45 . 1 . 1 4 4 PRO HG3 H 1 1.594 . . 2 . . . . . 63 PRO HG3 . 53818 1 46 . 1 . 1 4 4 PRO HD2 H 1 3.514 . . 2 . . . . . 63 PRO HD2 . 53818 1 47 . 1 . 1 4 4 PRO HD3 H 1 3.655 . . 2 . . . . . 63 PRO HD3 . 53818 1 48 . 1 . 1 4 4 PRO C C 13 179.014 . . 1 . . . . . 63 PRO C . 53818 1 49 . 1 . 1 4 4 PRO CA C 13 62.747 . . 1 . . . . . 63 PRO CA . 53818 1 50 . 1 . 1 4 4 PRO CB C 13 31.959 . . 1 . . . . . 63 PRO CB . 53818 1 51 . 1 . 1 4 4 PRO CG C 13 26.956 . . 1 . . . . . 63 PRO CG . 53818 1 52 . 1 . 1 4 4 PRO CD C 13 50.350 . . 1 . . . . . 63 PRO CD . 53818 1 53 . 1 . 1 5 5 LYS H H 1 8.549 . . 1 . . . . . 64 LYS HN . 53818 1 54 . 1 . 1 5 5 LYS HA H 1 4.863 . . 1 . . . . . 64 LYS HA . 53818 1 55 . 1 . 1 5 5 LYS HB2 H 1 1.869 . . 2 . . . . . 64 LYS HB2 . 53818 1 56 . 1 . 1 5 5 LYS HB3 H 1 1.805 . . 2 . . . . . 64 LYS HB3 . 53818 1 57 . 1 . 1 5 5 LYS HG2 H 1 1.582 . . 2 . . . . . 64 LYS HG2 . 53818 1 58 . 1 . 1 5 5 LYS HG3 H 1 1.489 . . 2 . . . . . 64 LYS HG3 . 53818 1 59 . 1 . 1 5 5 LYS HD2 H 1 1.735 . . 2 . . . . . 64 LYS HD2 . 53818 1 60 . 1 . 1 5 5 LYS HD3 H 1 1.735 . . 2 . . . . . 64 LYS HD3 . 53818 1 61 . 1 . 1 5 5 LYS HE2 H 1 3.056 . . 2 . . . . . 64 LYS HE2 . 53818 1 62 . 1 . 1 5 5 LYS HE3 H 1 3.056 . . 2 . . . . . 64 LYS HE3 . 53818 1 63 . 1 . 1 5 5 LYS CA C 13 53.450 . . 1 . . . . . 64 LYS CA . 53818 1 64 . 1 . 1 5 5 LYS CB C 13 32.913 . . 1 . . . . . 64 LYS CB . 53818 1 65 . 1 . 1 5 5 LYS CG C 13 24.655 . . 1 . . . . . 64 LYS CG . 53818 1 66 . 1 . 1 5 5 LYS CD C 13 29.186 . . 1 . . . . . 64 LYS CD . 53818 1 67 . 1 . 1 5 5 LYS CE C 13 42.225 . . 1 . . . . . 64 LYS CE . 53818 1 68 . 1 . 1 5 5 LYS N N 15 122.879 . . 1 . . . . . 64 LYS N . 53818 1 69 . 1 . 1 6 6 PRO HA H 1 4.136 . . 1 . . . . . 65 PRO HA . 53818 1 70 . 1 . 1 6 6 PRO HB2 H 1 2.268 . . 2 . . . . . 65 PRO HB2 . 53818 1 71 . 1 . 1 6 6 PRO HB3 H 1 1.810 . . 2 . . . . . 65 PRO HB3 . 53818 1 72 . 1 . 1 6 6 PRO HG2 H 1 1.995 . . 2 . . . . . 65 PRO HG2 . 53818 1 73 . 1 . 1 6 6 PRO HG3 H 1 2.204 . . 2 . . . . . 65 PRO HG3 . 53818 1 74 . 1 . 1 6 6 PRO HD2 H 1 3.884 . . 2 . . . . . 65 PRO HD2 . 53818 1 75 . 1 . 1 6 6 PRO HD3 H 1 4.091 . . 2 . . . . . 65 PRO HD3 . 53818 1 76 . 1 . 1 6 6 PRO C C 13 177.927 . . 1 . . . . . 65 PRO C . 53818 1 77 . 1 . 1 6 6 PRO CA C 13 62.401 . . 1 . . . . . 65 PRO CA . 53818 1 78 . 1 . 1 6 6 PRO CB C 13 32.258 . . 1 . . . . . 65 PRO CB . 53818 1 79 . 1 . 1 6 6 PRO CG C 13 26.900 . . 1 . . . . . 65 PRO CG . 53818 1 80 . 1 . 1 6 6 PRO CD C 13 50.698 . . 1 . . . . . 65 PRO CD . 53818 1 81 . 1 . 1 7 7 ALA H H 1 8.526 . . 1 . . . . . 66 ALA HN . 53818 1 82 . 1 . 1 7 7 ALA HA H 1 3.909 . . 1 . . . . . 66 ALA HA . 53818 1 83 . 1 . 1 7 7 ALA HB1 H 1 1.167 . . 1 . . . . . 66 ALA HB1 . 53818 1 84 . 1 . 1 7 7 ALA HB2 H 1 1.167 . . 1 . . . . . 66 ALA HB1 . 53818 1 85 . 1 . 1 7 7 ALA HB3 H 1 1.167 . . 1 . . . . . 66 ALA HB1 . 53818 1 86 . 1 . 1 7 7 ALA C C 13 177.669 . . 1 . . . . . 66 ALA C . 53818 1 87 . 1 . 1 7 7 ALA CA C 13 54.787 . . 1 . . . . . 66 ALA CA . 53818 1 88 . 1 . 1 7 7 ALA CB C 13 19.584 . . 1 . . . . . 66 ALA CB . 53818 1 89 . 1 . 1 7 7 ALA N N 15 121.892 . . 1 . . . . . 66 ALA N . 53818 1 90 . 1 . 1 8 8 VAL H H 1 7.030 . . 1 . . . . . 67 VAL HN . 53818 1 91 . 1 . 1 8 8 VAL HA H 1 4.283 . . 1 . . . . . 67 VAL HA . 53818 1 92 . 1 . 1 8 8 VAL HB H 1 2.070 . . 1 . . . . . 67 VAL HB . 53818 1 93 . 1 . 1 8 8 VAL HG11 H 1 0.557 . . 2 . . . . . 67 VAL HG11 . 53818 1 94 . 1 . 1 8 8 VAL HG12 H 1 0.557 . . 2 . . . . . 67 VAL HG11 . 53818 1 95 . 1 . 1 8 8 VAL HG13 H 1 0.557 . . 2 . . . . . 67 VAL HG11 . 53818 1 96 . 1 . 1 8 8 VAL HG21 H 1 0.788 . . 2 . . . . . 67 VAL HG21 . 53818 1 97 . 1 . 1 8 8 VAL HG22 H 1 0.788 . . 2 . . . . . 67 VAL HG21 . 53818 1 98 . 1 . 1 8 8 VAL HG23 H 1 0.788 . . 2 . . . . . 67 VAL HG21 . 53818 1 99 . 1 . 1 8 8 VAL C C 13 173.093 . . 1 . . . . . 67 VAL C . 53818 1 100 . 1 . 1 8 8 VAL CA C 13 57.979 . . 1 . . . . . 67 VAL CA . 53818 1 101 . 1 . 1 8 8 VAL CB C 13 35.690 . . 1 . . . . . 67 VAL CB . 53818 1 102 . 1 . 1 8 8 VAL CG1 C 13 18.947 . . 1 . . . . . 67 VAL CG1 . 53818 1 103 . 1 . 1 8 8 VAL CG2 C 13 21.781 . . 1 . . . . . 67 VAL CG2 . 53818 1 104 . 1 . 1 8 8 VAL N N 15 106.197 . . 1 . . . . . 67 VAL N . 53818 1 105 . 1 . 1 9 9 ASN H H 1 8.234 . . 1 . . . . . 68 ASN HN . 53818 1 106 . 1 . 1 9 9 ASN HA H 1 4.655 . . 1 . . . . . 68 ASN HA . 53818 1 107 . 1 . 1 9 9 ASN HB2 H 1 2.658 . . 2 . . . . . 68 ASN HB2 . 53818 1 108 . 1 . 1 9 9 ASN HB3 H 1 2.942 . . 2 . . . . . 68 ASN HB3 . 53818 1 109 . 1 . 1 9 9 ASN CA C 13 51.503 . . 1 . . . . . 68 ASN CA . 53818 1 110 . 1 . 1 9 9 ASN CB C 13 39.157 . . 1 . . . . . 68 ASN CB . 53818 1 111 . 1 . 1 9 9 ASN N N 15 119.684 . . 1 . . . . . 68 ASN N . 53818 1 112 . 1 . 1 10 10 PRO HA H 1 4.060 . . 1 . . . . . 69 PRO HA . 53818 1 113 . 1 . 1 10 10 PRO HB2 H 1 2.298 . . 2 . . . . . 69 PRO HB2 . 53818 1 114 . 1 . 1 10 10 PRO HB3 H 1 2.110 . . 2 . . . . . 69 PRO HB3 . 53818 1 115 . 1 . 1 10 10 PRO HG2 H 1 2.377 . . 2 . . . . . 69 PRO HG2 . 53818 1 116 . 1 . 1 10 10 PRO HG3 H 1 1.967 . . 2 . . . . . 69 PRO HG3 . 53818 1 117 . 1 . 1 10 10 PRO HD2 H 1 4.154 . . 2 . . . . . 69 PRO HD2 . 53818 1 118 . 1 . 1 10 10 PRO HD3 H 1 3.852 . . 2 . . . . . 69 PRO HD3 . 53818 1 119 . 1 . 1 10 10 PRO C C 13 180.323 . . 1 . . . . . 69 PRO C . 53818 1 120 . 1 . 1 10 10 PRO CA C 13 65.937 . . 1 . . . . . 69 PRO CA . 53818 1 121 . 1 . 1 10 10 PRO CB C 13 32.772 . . 1 . . . . . 69 PRO CB . 53818 1 122 . 1 . 1 10 10 PRO CG C 13 27.707 . . 1 . . . . . 69 PRO CG . 53818 1 123 . 1 . 1 10 10 PRO CD C 13 51.071 . . 1 . . . . . 69 PRO CD . 53818 1 124 . 1 . 1 11 11 LYS H H 1 8.421 . . 1 . . . . . 70 LYS HN . 53818 1 125 . 1 . 1 11 11 LYS HA H 1 4.366 . . 1 . . . . . 70 LYS HA . 53818 1 126 . 1 . 1 11 11 LYS HB2 H 1 2.027 . . 2 . . . . . 70 LYS HB2 . 53818 1 127 . 1 . 1 11 11 LYS HB3 H 1 1.794 . . 2 . . . . . 70 LYS HB3 . 53818 1 128 . 1 . 1 11 11 LYS HG2 H 1 1.558 . . 2 . . . . . 70 LYS HG2 . 53818 1 129 . 1 . 1 11 11 LYS HG3 H 1 1.640 . . 2 . . . . . 70 LYS HG3 . 53818 1 130 . 1 . 1 11 11 LYS HD2 H 1 1.794 . . 2 . . . . . 70 LYS HD2 . 53818 1 131 . 1 . 1 11 11 LYS HD3 H 1 1.794 . . 2 . . . . . 70 LYS HD3 . 53818 1 132 . 1 . 1 11 11 LYS HE2 H 1 3.102 . . 2 . . . . . 70 LYS HE2 . 53818 1 133 . 1 . 1 11 11 LYS HE3 H 1 3.102 . . 2 . . . . . 70 LYS HE3 . 53818 1 134 . 1 . 1 11 11 LYS C C 13 177.129 . . 1 . . . . . 70 LYS C . 53818 1 135 . 1 . 1 11 11 LYS CA C 13 58.193 . . 1 . . . . . 70 LYS CA . 53818 1 136 . 1 . 1 11 11 LYS CB C 13 32.052 . . 1 . . . . . 70 LYS CB . 53818 1 137 . 1 . 1 11 11 LYS CG C 13 25.736 . . 1 . . . . . 70 LYS CG . 53818 1 138 . 1 . 1 11 11 LYS CD C 13 29.045 . . 1 . . . . . 70 LYS CD . 53818 1 139 . 1 . 1 11 11 LYS CE C 13 42.231 . . 1 . . . . . 70 LYS CE . 53818 1 140 . 1 . 1 11 11 LYS N N 15 117.086 . . 1 . . . . . 70 LYS N . 53818 1 141 . 1 . 1 12 12 LYS H H 1 8.222 . . 1 . . . . . 71 LYS HN . 53818 1 142 . 1 . 1 12 12 LYS HA H 1 4.809 . . 1 . . . . . 71 LYS HA . 53818 1 143 . 1 . 1 12 12 LYS HB2 H 1 1.661 . . 2 . . . . . 71 LYS HB2 . 53818 1 144 . 1 . 1 12 12 LYS HB3 H 1 2.268 . . 2 . . . . . 71 LYS HB3 . 53818 1 145 . 1 . 1 12 12 LYS HG2 H 1 1.328 . . 2 . . . . . 71 LYS HG2 . 53818 1 146 . 1 . 1 12 12 LYS HG3 H 1 1.376 . . 2 . . . . . 71 LYS HG3 . 53818 1 147 . 1 . 1 12 12 LYS HD2 H 1 1.700 . . 2 . . . . . 71 LYS HD2 . 53818 1 148 . 1 . 1 12 12 LYS HD3 H 1 1.771 . . 2 . . . . . 71 LYS HD3 . 53818 1 149 . 1 . 1 12 12 LYS HE2 H 1 3.014 . . 2 . . . . . 71 LYS HE2 . 53818 1 150 . 1 . 1 12 12 LYS HE3 H 1 3.014 . . 2 . . . . . 71 LYS HE3 . 53818 1 151 . 1 . 1 12 12 LYS C C 13 176.104 . . 1 . . . . . 71 LYS C . 53818 1 152 . 1 . 1 12 12 LYS CA C 13 54.519 . . 1 . . . . . 71 LYS CA . 53818 1 153 . 1 . 1 12 12 LYS CB C 13 32.528 . . 1 . . . . . 71 LYS CB . 53818 1 154 . 1 . 1 12 12 LYS CG C 13 25.024 . . 1 . . . . . 71 LYS CG . 53818 1 155 . 1 . 1 12 12 LYS CD C 13 29.155 . . 1 . . . . . 71 LYS CD . 53818 1 156 . 1 . 1 12 12 LYS CE C 13 42.215 . . 1 . . . . . 71 LYS CE . 53818 1 157 . 1 . 1 12 12 LYS N N 15 119.377 . . 1 . . . . . 71 LYS N . 53818 1 158 . 1 . 1 13 13 SER H H 1 7.579 . . 1 . . . . . 72 SER HN . 53818 1 159 . 1 . 1 13 13 SER HA H 1 4.319 . . 1 . . . . . 72 SER HA . 53818 1 160 . 1 . 1 13 13 SER HB2 H 1 3.828 . . 2 . . . . . 72 SER HB2 . 53818 1 161 . 1 . 1 13 13 SER HB3 H 1 3.828 . . 2 . . . . . 72 SER HB3 . 53818 1 162 . 1 . 1 13 13 SER C C 13 172.607 . . 1 . . . . . 72 SER C . 53818 1 163 . 1 . 1 13 13 SER CA C 13 59.884 . . 1 . . . . . 72 SER CA . 53818 1 164 . 1 . 1 13 13 SER CB C 13 64.967 . . 1 . . . . . 72 SER CB . 53818 1 165 . 1 . 1 13 13 SER N N 15 112.487 . . 1 . . . . . 72 SER N . 53818 1 166 . 1 . 1 14 14 VAL H H 1 8.175 . . 1 . . . . . 73 VAL HN . 53818 1 167 . 1 . 1 14 14 VAL HA H 1 4.307 . . 1 . . . . . 73 VAL HA . 53818 1 168 . 1 . 1 14 14 VAL HB H 1 1.929 . . 1 . . . . . 73 VAL HB . 53818 1 169 . 1 . 1 14 14 VAL HG11 H 1 0.718 . . 2 . . . . . 73 VAL HG11 . 53818 1 170 . 1 . 1 14 14 VAL HG12 H 1 0.718 . . 2 . . . . . 73 VAL HG11 . 53818 1 171 . 1 . 1 14 14 VAL HG13 H 1 0.718 . . 2 . . . . . 73 VAL HG11 . 53818 1 172 . 1 . 1 14 14 VAL HG21 H 1 0.764 . . 2 . . . . . 73 VAL HG21 . 53818 1 173 . 1 . 1 14 14 VAL HG22 H 1 0.764 . . 2 . . . . . 73 VAL HG21 . 53818 1 174 . 1 . 1 14 14 VAL HG23 H 1 0.764 . . 2 . . . . . 73 VAL HG21 . 53818 1 175 . 1 . 1 14 14 VAL C C 13 174.899 . . 1 . . . . . 73 VAL C . 53818 1 176 . 1 . 1 14 14 VAL CA C 13 63.316 . . 1 . . . . . 73 VAL CA . 53818 1 177 . 1 . 1 14 14 VAL CB C 13 32.282 . . 1 . . . . . 73 VAL CB . 53818 1 178 . 1 . 1 14 14 VAL CG1 C 13 20.756 . . 1 . . . . . 73 VAL CG1 . 53818 1 179 . 1 . 1 14 14 VAL CG2 C 13 21.476 . . 1 . . . . . 73 VAL CG2 . 53818 1 180 . 1 . 1 14 14 VAL N N 15 123.096 . . 1 . . . . . 73 VAL N . 53818 1 181 . 1 . 1 15 15 HIS H H 1 8.713 . . 1 . . . . . 74 HIS HN . 53818 1 182 . 1 . 1 15 15 HIS HA H 1 4.540 . . 1 . . . . . 74 HIS HA . 53818 1 183 . 1 . 1 15 15 HIS HB2 H 1 2.600 . . 2 . . . . . 74 HIS HB2 . 53818 1 184 . 1 . 1 15 15 HIS HB3 H 1 2.174 . . 2 . . . . . 74 HIS HB3 . 53818 1 185 . 1 . 1 15 15 HIS HD2 H 1 6.670 . . 1 . . . . . 74 HIS HD2 . 53818 1 186 . 1 . 1 15 15 HIS HE1 H 1 7.998 . . 1 . . . . . 74 HIS HE1 . 53818 1 187 . 1 . 1 15 15 HIS C C 13 173.301 . . 1 . . . . . 74 HIS C . 53818 1 188 . 1 . 1 15 15 HIS CA C 13 54.128 . . 1 . . . . . 74 HIS CA . 53818 1 189 . 1 . 1 15 15 HIS CB C 13 31.320 . . 1 . . . . . 74 HIS CB . 53818 1 190 . 1 . 1 15 15 HIS CD2 C 13 118.748 . . 1 . . . . . 74 HIS CD2 . 53818 1 191 . 1 . 1 15 15 HIS CE1 C 13 136.980 . . 1 . . . . . 74 HIS CE1 . 53818 1 192 . 1 . 1 15 15 HIS N N 15 129.440 . . 1 . . . . . 74 HIS N . 53818 1 193 . 1 . 1 15 15 HIS ND1 N 15 217.681 . . 1 . . . . . 74 HIS ND1 . 53818 1 194 . 1 . 1 15 15 HIS NE2 N 15 173.425 . . 1 . . . . . 74 HIS NE2 . 53818 1 195 . 1 . 1 16 16 ASP H H 1 8.057 . . 1 . . . . . 75 ASP HN . 53818 1 196 . 1 . 1 16 16 ASP HA H 1 4.166 . . 1 . . . . . 75 ASP HA . 53818 1 197 . 1 . 1 16 16 ASP HB2 H 1 2.614 . . 2 . . . . . 75 ASP HB2 . 53818 1 198 . 1 . 1 16 16 ASP HB3 H 1 2.420 . . 2 . . . . . 75 ASP HB3 . 53818 1 199 . 1 . 1 16 16 ASP C C 13 177.256 . . 1 . . . . . 75 ASP C . 53818 1 200 . 1 . 1 16 16 ASP CA C 13 58.190 . . 1 . . . . . 75 ASP CA . 53818 1 201 . 1 . 1 16 16 ASP CB C 13 39.794 . . 1 . . . . . 75 ASP CB . 53818 1 202 . 1 . 1 16 16 ASP N N 15 119.104 . . 1 . . . . . 75 ASP N . 53818 1 203 . 1 . 1 17 17 ASP H H 1 9.017 . . 1 . . . . . 76 ASP HN . 53818 1 204 . 1 . 1 17 17 ASP HA H 1 4.920 . . 1 . . . . . 76 ASP HA . 53818 1 205 . 1 . 1 17 17 ASP HB2 H 1 2.808 . . 2 . . . . . 76 ASP HB2 . 53818 1 206 . 1 . 1 17 17 ASP HB3 H 1 2.629 . . 2 . . . . . 76 ASP HB3 . 53818 1 207 . 1 . 1 17 17 ASP C C 13 176.089 . . 1 . . . . . 76 ASP C . 53818 1 208 . 1 . 1 17 17 ASP CA C 13 54.559 . . 1 . . . . . 76 ASP CA . 53818 1 209 . 1 . 1 17 17 ASP CB C 13 42.975 . . 1 . . . . . 76 ASP CB . 53818 1 210 . 1 . 1 17 17 ASP N N 15 112.262 . . 1 . . . . . 76 ASP N . 53818 1 211 . 1 . 1 18 18 TYR H H 1 6.995 . . 1 . . . . . 77 TYR HN . 53818 1 212 . 1 . 1 18 18 TYR HA H 1 4.822 . . 1 . . . . . 77 TYR HA . 53818 1 213 . 1 . 1 18 18 TYR HB2 H 1 3.079 . . 2 . . . . . 77 TYR HB2 . 53818 1 214 . 1 . 1 18 18 TYR HB3 H 1 2.553 . . 2 . . . . . 77 TYR HB3 . 53818 1 215 . 1 . 1 18 18 TYR HD1 H 1 6.544 . . 3 . . . . . 77 TYR HD1 . 53818 1 216 . 1 . 1 18 18 TYR HD2 H 1 6.544 . . 3 . . . . . 77 TYR HD2 . 53818 1 217 . 1 . 1 18 18 TYR HE1 H 1 6.329 . . 3 . . . . . 77 TYR HE1 . 53818 1 218 . 1 . 1 18 18 TYR HE2 H 1 6.329 . . 3 . . . . . 77 TYR HE2 . 53818 1 219 . 1 . 1 18 18 TYR HH H 1 11.186 . . 1 . . . . . 77 TYR HH . 53818 1 220 . 1 . 1 18 18 TYR C C 13 170.950 . . 1 . . . . . 77 TYR C . 53818 1 221 . 1 . 1 18 18 TYR CA C 13 56.855 . . 1 . . . . . 77 TYR CA . 53818 1 222 . 1 . 1 18 18 TYR CB C 13 39.310 . . 1 . . . . . 77 TYR CB . 53818 1 223 . 1 . 1 18 18 TYR CD1 C 13 133.878 . . 3 . . . . . 77 TYR CD1 . 53818 1 224 . 1 . 1 18 18 TYR CD2 C 13 133.878 . . 3 . . . . . 77 TYR CD2 . 53818 1 225 . 1 . 1 18 18 TYR CE1 C 13 117.495 . . 3 . . . . . 77 TYR CE1 . 53818 1 226 . 1 . 1 18 18 TYR CE2 C 13 117.495 . . 3 . . . . . 77 TYR CE2 . 53818 1 227 . 1 . 1 18 18 TYR N N 15 113.634 . . 1 . . . . . 77 TYR N . 53818 1 228 . 1 . 1 19 19 ILE H H 1 9.730 . . 1 . . . . . 78 ILE HN . 53818 1 229 . 1 . 1 19 19 ILE HA H 1 4.916 . . 1 . . . . . 78 ILE HA . 53818 1 230 . 1 . 1 19 19 ILE HB H 1 1.611 . . 1 . . . . . 78 ILE HB . 53818 1 231 . 1 . 1 19 19 ILE HG12 H 1 1.523 . . 1 . . . . . 78 ILE HG11 . 53818 1 232 . 1 . 1 19 19 ILE HG13 H 1 1.131 . . 1 . . . . . 78 ILE HG12 . 53818 1 233 . 1 . 1 19 19 ILE HG21 H 1 1.192 . . 1 . . . . . 78 ILE HG21 . 53818 1 234 . 1 . 1 19 19 ILE HG22 H 1 1.192 . . 1 . . . . . 78 ILE HG21 . 53818 1 235 . 1 . 1 19 19 ILE HG23 H 1 1.192 . . 1 . . . . . 78 ILE HG21 . 53818 1 236 . 1 . 1 19 19 ILE HD11 H 1 0.683 . . 1 . . . . . 78 ILE HD11 . 53818 1 237 . 1 . 1 19 19 ILE HD12 H 1 0.683 . . 1 . . . . . 78 ILE HD11 . 53818 1 238 . 1 . 1 19 19 ILE HD13 H 1 0.683 . . 1 . . . . . 78 ILE HD11 . 53818 1 239 . 1 . 1 19 19 ILE C C 13 175.488 . . 1 . . . . . 78 ILE C . 53818 1 240 . 1 . 1 19 19 ILE CA C 13 59.598 . . 1 . . . . . 78 ILE CA . 53818 1 241 . 1 . 1 19 19 ILE CB C 13 41.489 . . 1 . . . . . 78 ILE CB . 53818 1 242 . 1 . 1 19 19 ILE CG1 C 13 28.769 . . 1 . . . . . 78 ILE CG1 . 53818 1 243 . 1 . 1 19 19 ILE CG2 C 13 19.360 . . 1 . . . . . 78 ILE CG2 . 53818 1 244 . 1 . 1 19 19 ILE CD1 C 13 13.410 . . 1 . . . . . 78 ILE CD1 . 53818 1 245 . 1 . 1 19 19 ILE N N 15 119.132 . . 1 . . . . . 78 ILE N . 53818 1 246 . 1 . 1 20 20 VAL H H 1 9.005 . . 1 . . . . . 79 VAL HN . 53818 1 247 . 1 . 1 20 20 VAL HA H 1 4.521 . . 1 . . . . . 79 VAL HA . 53818 1 248 . 1 . 1 20 20 VAL HB H 1 1.862 . . 1 . . . . . 79 VAL HB . 53818 1 249 . 1 . 1 20 20 VAL HG11 H 1 1.102 . . 2 . . . . . 79 VAL HG11 . 53818 1 250 . 1 . 1 20 20 VAL HG12 H 1 1.102 . . 2 . . . . . 79 VAL HG11 . 53818 1 251 . 1 . 1 20 20 VAL HG13 H 1 1.102 . . 2 . . . . . 79 VAL HG11 . 53818 1 252 . 1 . 1 20 20 VAL HG21 H 1 0.730 . . 2 . . . . . 79 VAL HG21 . 53818 1 253 . 1 . 1 20 20 VAL HG22 H 1 0.730 . . 2 . . . . . 79 VAL HG21 . 53818 1 254 . 1 . 1 20 20 VAL HG23 H 1 0.730 . . 2 . . . . . 79 VAL HG21 . 53818 1 255 . 1 . 1 20 20 VAL C C 13 175.960 . . 1 . . . . . 79 VAL C . 53818 1 256 . 1 . 1 20 20 VAL CA C 13 61.536 . . 1 . . . . . 79 VAL CA . 53818 1 257 . 1 . 1 20 20 VAL CB C 13 32.976 . . 1 . . . . . 79 VAL CB . 53818 1 258 . 1 . 1 20 20 VAL CG1 C 13 22.125 . . 1 . . . . . 79 VAL CG1 . 53818 1 259 . 1 . 1 20 20 VAL CG2 C 13 21.606 . . 1 . . . . . 79 VAL CG2 . 53818 1 260 . 1 . 1 20 20 VAL N N 15 126.811 . . 1 . . . . . 79 VAL N . 53818 1 261 . 1 . 1 21 21 CYS H H 1 9.339 . . 1 . . . . . 80 CYS HN . 53818 1 262 . 1 . 1 21 21 CYS HA H 1 4.388 . . 1 . . . . . 80 CYS HA . 53818 1 263 . 1 . 1 21 21 CYS HB2 H 1 2.916 . . 2 . . . . . 80 CYS HB2 . 53818 1 264 . 1 . 1 21 21 CYS HB3 H 1 3.980 . . 2 . . . . . 80 CYS HB3 . 53818 1 265 . 1 . 1 21 21 CYS C C 13 177.779 . . 1 . . . . . 80 CYS C . 53818 1 266 . 1 . 1 21 21 CYS CA C 13 60.032 . . 1 . . . . . 80 CYS CA . 53818 1 267 . 1 . 1 21 21 CYS CB C 13 29.192 . . 1 . . . . . 80 CYS CB . 53818 1 268 . 1 . 1 21 21 CYS N N 15 129.985 . . 1 . . . . . 80 CYS N . 53818 1 269 . 1 . 1 22 22 LEU H H 1 9.145 . . 1 . . . . . 81 LEU HN . 53818 1 270 . 1 . 1 22 22 LEU HA H 1 3.757 . . 1 . . . . . 81 LEU HA . 53818 1 271 . 1 . 1 22 22 LEU HB2 H 1 -0.089 . . 2 . . . . . 81 LEU HB2 . 53818 1 272 . 1 . 1 22 22 LEU HB3 H 1 0.255 . . 2 . . . . . 81 LEU HB3 . 53818 1 273 . 1 . 1 22 22 LEU HG H 1 1.846 . . 1 . . . . . 81 LEU HG . 53818 1 274 . 1 . 1 22 22 LEU HD11 H 1 0.419 . . 2 . . . . . 81 LEU HD11 . 53818 1 275 . 1 . 1 22 22 LEU HD12 H 1 0.419 . . 2 . . . . . 81 LEU HD11 . 53818 1 276 . 1 . 1 22 22 LEU HD13 H 1 0.419 . . 2 . . . . . 81 LEU HD11 . 53818 1 277 . 1 . 1 22 22 LEU HD21 H 1 0.613 . . 2 . . . . . 81 LEU HD21 . 53818 1 278 . 1 . 1 22 22 LEU HD22 H 1 0.613 . . 2 . . . . . 81 LEU HD21 . 53818 1 279 . 1 . 1 22 22 LEU HD23 H 1 0.613 . . 2 . . . . . 81 LEU HD21 . 53818 1 280 . 1 . 1 22 22 LEU C C 13 178.019 . . 1 . . . . . 81 LEU C . 53818 1 281 . 1 . 1 22 22 LEU CA C 13 56.755 . . 1 . . . . . 81 LEU CA . 53818 1 282 . 1 . 1 22 22 LEU CB C 13 38.930 . . 1 . . . . . 81 LEU CB . 53818 1 283 . 1 . 1 22 22 LEU CG C 13 26.108 . . 1 . . . . . 81 LEU CG . 53818 1 284 . 1 . 1 22 22 LEU CD1 C 13 25.787 . . 1 . . . . . 81 LEU CD1 . 53818 1 285 . 1 . 1 22 22 LEU CD2 C 13 23.270 . . 1 . . . . . 81 LEU CD2 . 53818 1 286 . 1 . 1 22 22 LEU N N 15 130.862 . . 1 . . . . . 81 LEU N . 53818 1 287 . 1 . 1 23 23 GLU H H 1 9.069 . . 1 . . . . . 82 GLU HN . 53818 1 288 . 1 . 1 23 23 GLU HA H 1 4.188 . . 1 . . . . . 82 GLU HA . 53818 1 289 . 1 . 1 23 23 GLU HB2 H 1 2.082 . . 2 . . . . . 82 GLU HB2 . 53818 1 290 . 1 . 1 23 23 GLU HB3 H 1 1.985 . . 2 . . . . . 82 GLU HB3 . 53818 1 291 . 1 . 1 23 23 GLU HG2 H 1 2.217 . . 2 . . . . . 82 GLU HG2 . 53818 1 292 . 1 . 1 23 23 GLU HG3 H 1 1.247 . . 2 . . . . . 82 GLU HG3 . 53818 1 293 . 1 . 1 23 23 GLU C C 13 178.342 . . 1 . . . . . 82 GLU C . 53818 1 294 . 1 . 1 23 23 GLU CA C 13 57.950 . . 1 . . . . . 82 GLU CA . 53818 1 295 . 1 . 1 23 23 GLU CB C 13 30.851 . . 1 . . . . . 82 GLU CB . 53818 1 296 . 1 . 1 23 23 GLU CG C 13 34.561 . . 1 . . . . . 82 GLU CG . 53818 1 297 . 1 . 1 23 23 GLU N N 15 117.355 . . 1 . . . . . 82 GLU N . 53818 1 298 . 1 . 1 24 24 ASP H H 1 6.773 . . 1 . . . . . 83 ASP HN . 53818 1 299 . 1 . 1 24 24 ASP HA H 1 5.022 . . 1 . . . . . 83 ASP HA . 53818 1 300 . 1 . 1 24 24 ASP HB2 H 1 3.128 . . 2 . . . . . 83 ASP HB2 . 53818 1 301 . 1 . 1 24 24 ASP HB3 H 1 2.998 . . 2 . . . . . 83 ASP HB3 . 53818 1 302 . 1 . 1 24 24 ASP C C 13 176.575 . . 1 . . . . . 83 ASP C . 53818 1 303 . 1 . 1 24 24 ASP CA C 13 54.564 . . 1 . . . . . 83 ASP CA . 53818 1 304 . 1 . 1 24 24 ASP CB C 13 43.411 . . 1 . . . . . 83 ASP CB . 53818 1 305 . 1 . 1 24 24 ASP N N 15 109.424 . . 1 . . . . . 83 ASP N . 53818 1 306 . 1 . 1 25 25 GLY H H 1 8.795 . . 1 . . . . . 84 GLY HN . 53818 1 307 . 1 . 1 25 25 GLY HA2 H 1 4.078 . . 2 . . . . . 84 GLY HA2 . 53818 1 308 . 1 . 1 25 25 GLY HA3 H 1 3.341 . . 2 . . . . . 84 GLY HA3 . 53818 1 309 . 1 . 1 25 25 GLY C C 13 173.614 . . 1 . . . . . 84 GLY C . 53818 1 310 . 1 . 1 25 25 GLY CA C 13 46.041 . . 1 . . . . . 84 GLY CA . 53818 1 311 . 1 . 1 25 25 GLY N N 15 111.338 . . 1 . . . . . 84 GLY N . 53818 1 312 . 1 . 1 26 26 LYS H H 1 8.725 . . 1 . . . . . 85 LYS HN . 53818 1 313 . 1 . 1 26 26 LYS HA H 1 4.060 . . 1 . . . . . 85 LYS HA . 53818 1 314 . 1 . 1 26 26 LYS HB2 H 1 1.816 . . 2 . . . . . 85 LYS HB2 . 53818 1 315 . 1 . 1 26 26 LYS HB3 H 1 1.426 . . 2 . . . . . 85 LYS HB3 . 53818 1 316 . 1 . 1 26 26 LYS HG2 H 1 1.286 . . 2 . . . . . 85 LYS HG2 . 53818 1 317 . 1 . 1 26 26 LYS HG3 H 1 1.286 . . 2 . . . . . 85 LYS HG3 . 53818 1 318 . 1 . 1 26 26 LYS HD2 H 1 1.618 . . 2 . . . . . 85 LYS HD2 . 53818 1 319 . 1 . 1 26 26 LYS HD3 H 1 1.750 . . 2 . . . . . 85 LYS HD3 . 53818 1 320 . 1 . 1 26 26 LYS HE2 H 1 3.009 . . 2 . . . . . 85 LYS HE2 . 53818 1 321 . 1 . 1 26 26 LYS HE3 H 1 3.009 . . 2 . . . . . 85 LYS HE3 . 53818 1 322 . 1 . 1 26 26 LYS C C 13 173.784 . . 1 . . . . . 85 LYS C . 53818 1 323 . 1 . 1 26 26 LYS CA C 13 56.969 . . 1 . . . . . 85 LYS CA . 53818 1 324 . 1 . 1 26 26 LYS CB C 13 33.744 . . 1 . . . . . 85 LYS CB . 53818 1 325 . 1 . 1 26 26 LYS CG C 13 26.491 . . 1 . . . . . 85 LYS CG . 53818 1 326 . 1 . 1 26 26 LYS CD C 13 29.871 . . 1 . . . . . 85 LYS CD . 53818 1 327 . 1 . 1 26 26 LYS CE C 13 42.232 . . 1 . . . . . 85 LYS CE . 53818 1 328 . 1 . 1 26 26 LYS N N 15 122.494 . . 1 . . . . . 85 LYS N . 53818 1 329 . 1 . 1 27 27 LYS H H 1 7.392 . . 1 . . . . . 86 LYS HN . 53818 1 330 . 1 . 1 27 27 LYS HA H 1 4.595 . . 1 . . . . . 86 LYS HA . 53818 1 331 . 1 . 1 27 27 LYS HB2 H 1 0.932 . . 2 . . . . . 86 LYS HB2 . 53818 1 332 . 1 . 1 27 27 LYS HB3 H 1 1.120 . . 2 . . . . . 86 LYS HB3 . 53818 1 333 . 1 . 1 27 27 LYS HG2 H 1 1.097 . . 2 . . . . . 86 LYS HG2 . 53818 1 334 . 1 . 1 27 27 LYS HG3 H 1 0.648 . . 2 . . . . . 86 LYS HG3 . 53818 1 335 . 1 . 1 27 27 LYS HD2 H 1 0.272 . . 2 . . . . . 86 LYS HD2 . 53818 1 336 . 1 . 1 27 27 LYS HD3 H 1 0.716 . . 2 . . . . . 86 LYS HD3 . 53818 1 337 . 1 . 1 27 27 LYS HE2 H 1 2.330 . . 2 . . . . . 86 LYS HE2 . 53818 1 338 . 1 . 1 27 27 LYS HE3 H 1 2.330 . . 2 . . . . . 86 LYS HE3 . 53818 1 339 . 1 . 1 27 27 LYS C C 13 175.872 . . 1 . . . . . 86 LYS C . 53818 1 340 . 1 . 1 27 27 LYS CA C 13 55.658 . . 1 . . . . . 86 LYS CA . 53818 1 341 . 1 . 1 27 27 LYS CB C 13 34.711 . . 1 . . . . . 86 LYS CB . 53818 1 342 . 1 . 1 27 27 LYS CG C 13 25.319 . . 1 . . . . . 86 LYS CG . 53818 1 343 . 1 . 1 27 27 LYS CD C 13 28.773 . . 1 . . . . . 86 LYS CD . 53818 1 344 . 1 . 1 27 27 LYS CE C 13 41.723 . . 1 . . . . . 86 LYS CE . 53818 1 345 . 1 . 1 27 27 LYS N N 15 117.899 . . 1 . . . . . 86 LYS N . 53818 1 346 . 1 . 1 28 28 PHE H H 1 9.005 . . 1 . . . . . 87 PHE HN . 53818 1 347 . 1 . 1 28 28 PHE HA H 1 4.673 . . 1 . . . . . 87 PHE HA . 53818 1 348 . 1 . 1 28 28 PHE HB2 H 1 2.179 . . 2 . . . . . 87 PHE HB2 . 53818 1 349 . 1 . 1 28 28 PHE HB3 H 1 3.313 . . 2 . . . . . 87 PHE HB3 . 53818 1 350 . 1 . 1 28 28 PHE HD1 H 1 7.099 . . 3 . . . . . 87 PHE HD1 . 53818 1 351 . 1 . 1 28 28 PHE HD2 H 1 7.099 . . 3 . . . . . 87 PHE HD2 . 53818 1 352 . 1 . 1 28 28 PHE HE1 H 1 6.798 . . 3 . . . . . 87 PHE HE1 . 53818 1 353 . 1 . 1 28 28 PHE HE2 H 1 6.798 . . 3 . . . . . 87 PHE HE2 . 53818 1 354 . 1 . 1 28 28 PHE HZ H 1 6.506 . . 1 . . . . . 87 PHE HZ . 53818 1 355 . 1 . 1 28 28 PHE C C 13 175.354 . . 1 . . . . . 87 PHE C . 53818 1 356 . 1 . 1 28 28 PHE CA C 13 58.502 . . 1 . . . . . 87 PHE CA . 53818 1 357 . 1 . 1 28 28 PHE CB C 13 43.043 . . 1 . . . . . 87 PHE CB . 53818 1 358 . 1 . 1 28 28 PHE CD1 C 13 131.376 . . 3 . . . . . 87 PHE CD1 . 53818 1 359 . 1 . 1 28 28 PHE CD2 C 13 131.376 . . 3 . . . . . 87 PHE CD2 . 53818 1 360 . 1 . 1 28 28 PHE CE1 C 13 130.644 . . 3 . . . . . 87 PHE CE1 . 53818 1 361 . 1 . 1 28 28 PHE CE2 C 13 130.644 . . 3 . . . . . 87 PHE CE2 . 53818 1 362 . 1 . 1 28 28 PHE CZ C 13 128.302 . . 1 . . . . . 87 PHE CZ . 53818 1 363 . 1 . 1 28 28 PHE N N 15 118.776 . . 1 . . . . . 87 PHE N . 53818 1 364 . 1 . 1 29 29 LYS H H 1 10.022 . . 1 . . . . . 88 LYS HN . 53818 1 365 . 1 . 1 29 29 LYS HA H 1 4.352 . . 1 . . . . . 88 LYS HA . 53818 1 366 . 1 . 1 29 29 LYS HB2 H 1 1.383 . . 2 . . . . . 88 LYS HB2 . 53818 1 367 . 1 . 1 29 29 LYS HB3 H 1 1.510 . . 2 . . . . . 88 LYS HB3 . 53818 1 368 . 1 . 1 29 29 LYS HG2 H 1 1.481 . . 2 . . . . . 88 LYS HG2 . 53818 1 369 . 1 . 1 29 29 LYS HG3 H 1 1.582 . . 2 . . . . . 88 LYS HG3 . 53818 1 370 . 1 . 1 29 29 LYS HD2 H 1 1.499 . . 2 . . . . . 88 LYS HD2 . 53818 1 371 . 1 . 1 29 29 LYS HD3 H 1 1.595 . . 2 . . . . . 88 LYS HD3 . 53818 1 372 . 1 . 1 29 29 LYS HE2 H 1 3.010 . . 2 . . . . . 88 LYS HE2 . 53818 1 373 . 1 . 1 29 29 LYS HE3 H 1 3.010 . . 2 . . . . . 88 LYS HE3 . 53818 1 374 . 1 . 1 29 29 LYS C C 13 176.739 . . 1 . . . . . 88 LYS C . 53818 1 375 . 1 . 1 29 29 LYS CA C 13 58.722 . . 1 . . . . . 88 LYS CA . 53818 1 376 . 1 . 1 29 29 LYS CB C 13 33.564 . . 1 . . . . . 88 LYS CB . 53818 1 377 . 1 . 1 29 29 LYS CG C 13 26.086 . . 1 . . . . . 88 LYS CG . 53818 1 378 . 1 . 1 29 29 LYS CD C 13 30.114 . . 1 . . . . . 88 LYS CD . 53818 1 379 . 1 . 1 29 29 LYS CE C 13 42.212 . . 1 . . . . . 88 LYS CE . 53818 1 380 . 1 . 1 29 29 LYS N N 15 121.980 . . 1 . . . . . 88 LYS N . 53818 1 381 . 1 . 1 30 30 SER H H 1 8.386 . . 1 . . . . . 89 SER HN . 53818 1 382 . 1 . 1 30 30 SER HA H 1 5.145 . . 1 . . . . . 89 SER HA . 53818 1 383 . 1 . 1 30 30 SER HB2 H 1 3.663 . . 2 . . . . . 89 SER HB2 . 53818 1 384 . 1 . 1 30 30 SER HB3 H 1 3.954 . . 2 . . . . . 89 SER HB3 . 53818 1 385 . 1 . 1 30 30 SER C C 13 174.586 . . 1 . . . . . 89 SER C . 53818 1 386 . 1 . 1 30 30 SER CA C 13 55.285 . . 1 . . . . . 89 SER CA . 53818 1 387 . 1 . 1 30 30 SER CB C 13 63.749 . . 1 . . . . . 89 SER CB . 53818 1 388 . 1 . 1 30 30 SER N N 15 112.432 . . 1 . . . . . 89 SER N . 53818 1 389 . 1 . 1 31 31 LEU H H 1 8.567 . . 1 . . . . . 90 LEU HN . 53818 1 390 . 1 . 1 31 31 LEU HA H 1 4.036 . . 1 . . . . . 90 LEU HA . 53818 1 391 . 1 . 1 31 31 LEU HB2 H 1 1.951 . . 2 . . . . . 90 LEU HB2 . 53818 1 392 . 1 . 1 31 31 LEU HB3 H 1 1.524 . . 2 . . . . . 90 LEU HB3 . 53818 1 393 . 1 . 1 31 31 LEU HG H 1 1.530 . . 1 . . . . . 90 LEU HG . 53818 1 394 . 1 . 1 31 31 LEU HD11 H 1 0.978 . . 2 . . . . . 90 LEU HD11 . 53818 1 395 . 1 . 1 31 31 LEU HD12 H 1 0.978 . . 2 . . . . . 90 LEU HD11 . 53818 1 396 . 1 . 1 31 31 LEU HD13 H 1 0.978 . . 2 . . . . . 90 LEU HD11 . 53818 1 397 . 1 . 1 31 31 LEU HD21 H 1 0.893 . . 2 . . . . . 90 LEU HD21 . 53818 1 398 . 1 . 1 31 31 LEU HD22 H 1 0.893 . . 2 . . . . . 90 LEU HD21 . 53818 1 399 . 1 . 1 31 31 LEU HD23 H 1 0.893 . . 2 . . . . . 90 LEU HD21 . 53818 1 400 . 1 . 1 31 31 LEU C C 13 179.200 . . 1 . . . . . 90 LEU C . 53818 1 401 . 1 . 1 31 31 LEU CA C 13 56.971 . . 1 . . . . . 90 LEU CA . 53818 1 402 . 1 . 1 31 31 LEU CB C 13 44.066 . . 1 . . . . . 90 LEU CB . 53818 1 403 . 1 . 1 31 31 LEU CG C 13 27.180 . . 1 . . . . . 90 LEU CG . 53818 1 404 . 1 . 1 31 31 LEU CD1 C 13 24.304 . . 1 . . . . . 90 LEU CD1 . 53818 1 405 . 1 . 1 31 31 LEU CD2 C 13 25.005 . . 1 . . . . . 90 LEU CD2 . 53818 1 406 . 1 . 1 31 31 LEU N N 15 126.075 . . 1 . . . . . 90 LEU N . 53818 1 407 . 1 . 1 32 32 LYS H H 1 8.514 . . 1 . . . . . 91 LYS HN . 53818 1 408 . 1 . 1 32 32 LYS HA H 1 3.722 . . 1 . . . . . 91 LYS HA . 53818 1 409 . 1 . 1 32 32 LYS HB2 H 1 1.875 . . 2 . . . . . 91 LYS HB2 . 53818 1 410 . 1 . 1 32 32 LYS HB3 H 1 1.770 . . 2 . . . . . 91 LYS HB3 . 53818 1 411 . 1 . 1 32 32 LYS HG2 H 1 1.408 . . 2 . . . . . 91 LYS HG2 . 53818 1 412 . 1 . 1 32 32 LYS HG3 H 1 1.468 . . 2 . . . . . 91 LYS HG3 . 53818 1 413 . 1 . 1 32 32 LYS HD2 H 1 1.781 . . 2 . . . . . 91 LYS HD2 . 53818 1 414 . 1 . 1 32 32 LYS HD3 H 1 1.781 . . 2 . . . . . 91 LYS HD3 . 53818 1 415 . 1 . 1 32 32 LYS HE2 H 1 3.009 . . 2 . . . . . 91 LYS HE2 . 53818 1 416 . 1 . 1 32 32 LYS HE3 H 1 3.009 . . 2 . . . . . 91 LYS HE3 . 53818 1 417 . 1 . 1 32 32 LYS C C 13 178.500 . . 1 . . . . . 91 LYS C . 53818 1 418 . 1 . 1 32 32 LYS CA C 13 62.005 . . 1 . . . . . 91 LYS CA . 53818 1 419 . 1 . 1 32 32 LYS CB C 13 32.913 . . 1 . . . . . 91 LYS CB . 53818 1 420 . 1 . 1 32 32 LYS CG C 13 25.998 . . 1 . . . . . 91 LYS CG . 53818 1 421 . 1 . 1 32 32 LYS CD C 13 29.631 . . 1 . . . . . 91 LYS CD . 53818 1 422 . 1 . 1 32 32 LYS CE C 13 42.222 . . 1 . . . . . 91 LYS CE . 53818 1 423 . 1 . 1 32 32 LYS N N 15 117.670 . . 1 . . . . . 91 LYS N . 53818 1 424 . 1 . 1 33 33 ARG H H 1 8.186 . . 1 . . . . . 92 ARG HN . 53818 1 425 . 1 . 1 33 33 ARG HA H 1 4.212 . . 1 . . . . . 92 ARG HA . 53818 1 426 . 1 . 1 33 33 ARG HB2 H 1 1.858 . . 2 . . . . . 92 ARG HB2 . 53818 1 427 . 1 . 1 33 33 ARG HB3 H 1 1.817 . . 2 . . . . . 92 ARG HB3 . 53818 1 428 . 1 . 1 33 33 ARG HG2 H 1 1.682 . . 2 . . . . . 92 ARG HG2 . 53818 1 429 . 1 . 1 33 33 ARG HG3 H 1 1.919 . . 2 . . . . . 92 ARG HG3 . 53818 1 430 . 1 . 1 33 33 ARG HD2 H 1 3.255 . . 2 . . . . . 92 ARG HD2 . 53818 1 431 . 1 . 1 33 33 ARG HD3 H 1 3.397 . . 2 . . . . . 92 ARG HD3 . 53818 1 432 . 1 . 1 33 33 ARG C C 13 177.731 . . 1 . . . . . 92 ARG C . 53818 1 433 . 1 . 1 33 33 ARG CA C 13 57.706 . . 1 . . . . . 92 ARG CA . 53818 1 434 . 1 . 1 33 33 ARG CB C 13 29.650 . . 1 . . . . . 92 ARG CB . 53818 1 435 . 1 . 1 33 33 ARG CG C 13 27.597 . . 1 . . . . . 92 ARG CG . 53818 1 436 . 1 . 1 33 33 ARG CD C 13 42.941 . . 1 . . . . . 92 ARG CD . 53818 1 437 . 1 . 1 33 33 ARG N N 15 115.877 . . 1 . . . . . 92 ARG N . 53818 1 438 . 1 . 1 34 34 HIS H H 1 7.264 . . 1 . . . . . 93 HIS HN . 53818 1 439 . 1 . 1 34 34 HIS HA H 1 4.499 . . 1 . . . . . 93 HIS HA . 53818 1 440 . 1 . 1 34 34 HIS HB2 H 1 2.214 . . 2 . . . . . 93 HIS HB2 . 53818 1 441 . 1 . 1 34 34 HIS HB3 H 1 2.694 . . 2 . . . . . 93 HIS HB3 . 53818 1 442 . 1 . 1 34 34 HIS HD2 H 1 6.379 . . 1 . . . . . 93 HIS HD2 . 53818 1 443 . 1 . 1 34 34 HIS HE1 H 1 7.741 . . 1 . . . . . 93 HIS HE1 . 53818 1 444 . 1 . 1 34 34 HIS C C 13 177.333 . . 1 . . . . . 93 HIS C . 53818 1 445 . 1 . 1 34 34 HIS CA C 13 57.580 . . 1 . . . . . 93 HIS CA . 53818 1 446 . 1 . 1 34 34 HIS CB C 13 27.656 . . 1 . . . . . 93 HIS CB . 53818 1 447 . 1 . 1 34 34 HIS CD2 C 13 125.632 . . 1 . . . . . 93 HIS CD2 . 53818 1 448 . 1 . 1 34 34 HIS CE1 C 13 138.261 . . 1 . . . . . 93 HIS CE1 . 53818 1 449 . 1 . 1 34 34 HIS N N 15 116.316 . . 1 . . . . . 93 HIS N . 53818 1 450 . 1 . 1 34 34 HIS ND1 N 15 179.364 . . 1 . . . . . 93 HIS ND1 . 53818 1 451 . 1 . 1 34 34 HIS NE2 N 15 209.708 . . 1 . . . . . 93 HIS NE2 . 53818 1 452 . 1 . 1 35 35 LEU H H 1 8.164 . . 1 . . . . . 94 LEU HN . 53818 1 453 . 1 . 1 35 35 LEU HA H 1 3.580 . . 1 . . . . . 94 LEU HA . 53818 1 454 . 1 . 1 35 35 LEU HB2 H 1 1.765 . . 2 . . . . . 94 LEU HB2 . 53818 1 455 . 1 . 1 35 35 LEU HB3 H 1 1.448 . . 2 . . . . . 94 LEU HB3 . 53818 1 456 . 1 . 1 35 35 LEU HG H 1 1.782 . . 1 . . . . . 94 LEU HG . 53818 1 457 . 1 . 1 35 35 LEU HD11 H 1 0.544 . . 2 . . . . . 94 LEU HD11 . 53818 1 458 . 1 . 1 35 35 LEU HD12 H 1 0.544 . . 2 . . . . . 94 LEU HD11 . 53818 1 459 . 1 . 1 35 35 LEU HD13 H 1 0.544 . . 2 . . . . . 94 LEU HD11 . 53818 1 460 . 1 . 1 35 35 LEU HD21 H 1 0.496 . . 2 . . . . . 94 LEU HD21 . 53818 1 461 . 1 . 1 35 35 LEU HD22 H 1 0.496 . . 2 . . . . . 94 LEU HD21 . 53818 1 462 . 1 . 1 35 35 LEU HD23 H 1 0.496 . . 2 . . . . . 94 LEU HD21 . 53818 1 463 . 1 . 1 35 35 LEU C C 13 177.700 . . 1 . . . . . 94 LEU C . 53818 1 464 . 1 . 1 35 35 LEU CA C 13 58.270 . . 1 . . . . . 94 LEU CA . 53818 1 465 . 1 . 1 35 35 LEU CB C 13 41.226 . . 1 . . . . . 94 LEU CB . 53818 1 466 . 1 . 1 35 35 LEU CG C 13 25.760 . . 1 . . . . . 94 LEU CG . 53818 1 467 . 1 . 1 35 35 LEU CD1 C 13 22.851 . . 1 . . . . . 94 LEU CD1 . 53818 1 468 . 1 . 1 35 35 LEU CD2 C 13 25.630 . . 1 . . . . . 94 LEU CD2 . 53818 1 469 . 1 . 1 35 35 LEU N N 15 119.486 . . 1 . . . . . 94 LEU N . 53818 1 470 . 1 . 1 36 36 VAL H H 1 6.784 . . 1 . . . . . 95 VAL HN . 53818 1 471 . 1 . 1 36 36 VAL HA H 1 3.768 . . 1 . . . . . 95 VAL HA . 53818 1 472 . 1 . 1 36 36 VAL HB H 1 2.136 . . 1 . . . . . 95 VAL HB . 53818 1 473 . 1 . 1 36 36 VAL HG11 H 1 0.995 . . 2 . . . . . 95 VAL HG11 . 53818 1 474 . 1 . 1 36 36 VAL HG12 H 1 0.995 . . 2 . . . . . 95 VAL HG11 . 53818 1 475 . 1 . 1 36 36 VAL HG13 H 1 0.995 . . 2 . . . . . 95 VAL HG11 . 53818 1 476 . 1 . 1 36 36 VAL HG21 H 1 1.070 . . 2 . . . . . 95 VAL HG21 . 53818 1 477 . 1 . 1 36 36 VAL HG22 H 1 1.070 . . 2 . . . . . 95 VAL HG21 . 53818 1 478 . 1 . 1 36 36 VAL HG23 H 1 1.070 . . 2 . . . . . 95 VAL HG21 . 53818 1 479 . 1 . 1 36 36 VAL C C 13 177.973 . . 1 . . . . . 95 VAL C . 53818 1 480 . 1 . 1 36 36 VAL CA C 13 65.090 . . 1 . . . . . 95 VAL CA . 53818 1 481 . 1 . 1 36 36 VAL CB C 13 31.822 . . 1 . . . . . 95 VAL CB . 53818 1 482 . 1 . 1 36 36 VAL CG1 C 13 21.230 . . 1 . . . . . 95 VAL CG1 . 53818 1 483 . 1 . 1 36 36 VAL CG2 C 13 21.691 . . 1 . . . . . 95 VAL CG2 . 53818 1 484 . 1 . 1 36 36 VAL N N 15 114.263 . . 1 . . . . . 95 VAL N . 53818 1 485 . 1 . 1 37 37 THR H H 1 7.579 . . 1 . . . . . 96 THR HN . 53818 1 486 . 1 . 1 37 37 THR HA H 1 4.096 . . 1 . . . . . 96 THR HA . 53818 1 487 . 1 . 1 37 37 THR HB H 1 4.030 . . 1 . . . . . 96 THR HB . 53818 1 488 . 1 . 1 37 37 THR HG21 H 1 1.191 . . 1 . . . . . 96 THR HG21 . 53818 1 489 . 1 . 1 37 37 THR HG22 H 1 1.191 . . 1 . . . . . 96 THR HG21 . 53818 1 490 . 1 . 1 37 37 THR HG23 H 1 1.191 . . 1 . . . . . 96 THR HG21 . 53818 1 491 . 1 . 1 37 37 THR C C 13 175.039 . . 1 . . . . . 96 THR C . 53818 1 492 . 1 . 1 37 37 THR CA C 13 63.714 . . 1 . . . . . 96 THR CA . 53818 1 493 . 1 . 1 37 37 THR CB C 13 68.850 . . 1 . . . . . 96 THR CB . 53818 1 494 . 1 . 1 37 37 THR CG2 C 13 21.639 . . 1 . . . . . 96 THR CG2 . 53818 1 495 . 1 . 1 37 37 THR N N 15 111.246 . . 1 . . . . . 96 THR N . 53818 1 496 . 1 . 1 38 38 HIS H H 1 7.579 . . 1 . . . . . 97 HIS HN . 53818 1 497 . 1 . 1 38 38 HIS HA H 1 4.807 . . 1 . . . . . 97 HIS HA . 53818 1 498 . 1 . 1 38 38 HIS HB2 H 1 3.243 . . 2 . . . . . 97 HIS HB2 . 53818 1 499 . 1 . 1 38 38 HIS HB3 H 1 3.067 . . 2 . . . . . 97 HIS HB3 . 53818 1 500 . 1 . 1 38 38 HIS HD2 H 1 6.297 . . 1 . . . . . 97 HIS HD2 . 53818 1 501 . 1 . 1 38 38 HIS HE1 H 1 8.081 . . 1 . . . . . 97 HIS HE1 . 53818 1 502 . 1 . 1 38 38 HIS C C 13 174.102 . . 1 . . . . . 97 HIS C . 53818 1 503 . 1 . 1 38 38 HIS CA C 13 53.348 . . 1 . . . . . 97 HIS CA . 53818 1 504 . 1 . 1 38 38 HIS CB C 13 27.002 . . 1 . . . . . 97 HIS CB . 53818 1 505 . 1 . 1 38 38 HIS CD2 C 13 126.375 . . 1 . . . . . 97 HIS CD2 . 53818 1 506 . 1 . 1 38 38 HIS CE1 C 13 140.378 . . 1 . . . . . 97 HIS CE1 . 53818 1 507 . 1 . 1 38 38 HIS N N 15 122.825 . . 1 . . . . . 97 HIS N . 53818 1 508 . 1 . 1 38 38 HIS ND1 N 15 170.281 . . 1 . . . . . 97 HIS ND1 . 53818 1 509 . 1 . 1 38 38 HIS NE2 N 15 214.700 . . 1 . . . . . 97 HIS NE2 . 53818 1 510 . 1 . 1 39 39 TYR H H 1 7.661 . . 1 . . . . . 98 TYR HN . 53818 1 511 . 1 . 1 39 39 TYR HA H 1 4.131 . . 1 . . . . . 98 TYR HA . 53818 1 512 . 1 . 1 39 39 TYR HB2 H 1 3.104 . . 2 . . . . . 98 TYR HB2 . 53818 1 513 . 1 . 1 39 39 TYR HB3 H 1 3.172 . . 2 . . . . . 98 TYR HB3 . 53818 1 514 . 1 . 1 39 39 TYR HD1 H 1 7.146 . . 3 . . . . . 98 TYR HD1 . 53818 1 515 . 1 . 1 39 39 TYR HD2 H 1 7.146 . . 3 . . . . . 98 TYR HD2 . 53818 1 516 . 1 . 1 39 39 TYR HE1 H 1 6.912 . . 3 . . . . . 98 TYR HE1 . 53818 1 517 . 1 . 1 39 39 TYR HE2 H 1 6.912 . . 3 . . . . . 98 TYR HE2 . 53818 1 518 . 1 . 1 39 39 TYR C C 13 175.426 . . 1 . . . . . 98 TYR C . 53818 1 519 . 1 . 1 39 39 TYR CA C 13 58.725 . . 1 . . . . . 98 TYR CA . 53818 1 520 . 1 . 1 39 39 TYR CB C 13 35.680 . . 1 . . . . . 98 TYR CB . 53818 1 521 . 1 . 1 39 39 TYR CD1 C 13 133.394 . . 3 . . . . . 98 TYR CD1 . 53818 1 522 . 1 . 1 39 39 TYR CD2 C 13 133.394 . . 3 . . . . . 98 TYR CD2 . 53818 1 523 . 1 . 1 39 39 TYR CE1 C 13 118.366 . . 3 . . . . . 98 TYR CE1 . 53818 1 524 . 1 . 1 39 39 TYR CE2 C 13 118.366 . . 3 . . . . . 98 TYR CE2 . 53818 1 525 . 1 . 1 39 39 TYR N N 15 115.440 . . 1 . . . . . 98 TYR N . 53818 1 526 . 1 . 1 40 40 ASN H H 1 7.977 . . 1 . . . . . 99 ASN HN . 53818 1 527 . 1 . 1 40 40 ASN HA H 1 4.377 . . 1 . . . . . 99 ASN HA . 53818 1 528 . 1 . 1 40 40 ASN HB2 H 1 3.111 . . 2 . . . . . 99 ASN HB2 . 53818 1 529 . 1 . 1 40 40 ASN HB3 H 1 2.775 . . 2 . . . . . 99 ASN HB3 . 53818 1 530 . 1 . 1 40 40 ASN HD21 H 1 6.785 . . 2 . . . . . 99 ASN HD21 . 53818 1 531 . 1 . 1 40 40 ASN HD22 H 1 7.485 . . 2 . . . . . 99 ASN HD22 . 53818 1 532 . 1 . 1 40 40 ASN C C 13 174.150 . . 1 . . . . . 99 ASN C . 53818 1 533 . 1 . 1 40 40 ASN CA C 13 54.789 . . 1 . . . . . 99 ASN CA . 53818 1 534 . 1 . 1 40 40 ASN CB C 13 37.287 . . 1 . . . . . 99 ASN CB . 53818 1 535 . 1 . 1 40 40 ASN N N 15 111.886 . . 1 . . . . . 99 ASN N . 53818 1 536 . 1 . 1 40 40 ASN ND2 N 15 111.828 . . 1 . . . . . 99 ASN ND2 . 53818 1 537 . 1 . 1 41 41 MET H H 1 7.077 . . 1 . . . . . 100 MET HN . 53818 1 538 . 1 . 1 41 41 MET HA H 1 4.388 . . 1 . . . . . 100 MET HA . 53818 1 539 . 1 . 1 41 41 MET HB2 H 1 2.506 . . 2 . . . . . 100 MET HB2 . 53818 1 540 . 1 . 1 41 41 MET HB3 H 1 2.069 . . 2 . . . . . 100 MET HB3 . 53818 1 541 . 1 . 1 41 41 MET HG2 H 1 2.787 . . 2 . . . . . 100 MET HG2 . 53818 1 542 . 1 . 1 41 41 MET HG3 H 1 2.787 . . 2 . . . . . 100 MET HG3 . 53818 1 543 . 1 . 1 41 41 MET HE1 H 1 2.220 . . 1 . . . . . 100 MET HE1 . 53818 1 544 . 1 . 1 41 41 MET HE2 H 1 2.220 . . 1 . . . . . 100 MET HE1 . 53818 1 545 . 1 . 1 41 41 MET HE3 H 1 2.220 . . 1 . . . . . 100 MET HE1 . 53818 1 546 . 1 . 1 41 41 MET C C 13 175.453 . . 1 . . . . . 100 MET C . 53818 1 547 . 1 . 1 41 41 MET CA C 13 57.568 . . 1 . . . . . 100 MET CA . 53818 1 548 . 1 . 1 41 41 MET CB C 13 34.707 . . 1 . . . . . 100 MET CB . 53818 1 549 . 1 . 1 41 41 MET CG C 13 32.226 . . 1 . . . . . 100 MET CG . 53818 1 550 . 1 . 1 41 41 MET CE C 13 16.558 . . 1 . . . . . 100 MET CE . 53818 1 551 . 1 . 1 41 41 MET N N 15 120.417 . . 1 . . . . . 100 MET N . 53818 1 552 . 1 . 1 42 42 THR H H 1 7.848 . . 1 . . . . . 101 THR HN . 53818 1 553 . 1 . 1 42 42 THR HA H 1 4.793 . . 1 . . . . . 101 THR HA . 53818 1 554 . 1 . 1 42 42 THR HB H 1 4.828 . . 1 . . . . . 101 THR HB . 53818 1 555 . 1 . 1 42 42 THR HG1 H 1 5.650 . . 1 . . . . . 101 THR HG1 . 53818 1 556 . 1 . 1 42 42 THR HG21 H 1 1.393 . . 1 . . . . . 101 THR HG21 . 53818 1 557 . 1 . 1 42 42 THR HG22 H 1 1.393 . . 1 . . . . . 101 THR HG21 . 53818 1 558 . 1 . 1 42 42 THR HG23 H 1 1.393 . . 1 . . . . . 101 THR HG21 . 53818 1 559 . 1 . 1 42 42 THR CA C 13 59.159 . . 1 . . . . . 101 THR CA . 53818 1 560 . 1 . 1 42 42 THR CB C 13 69.007 . . 1 . . . . . 101 THR CB . 53818 1 561 . 1 . 1 42 42 THR CG2 C 13 22.136 . . 1 . . . . . 101 THR CG2 . 53818 1 562 . 1 . 1 42 42 THR N N 15 113.142 . . 1 . . . . . 101 THR N . 53818 1 563 . 1 . 1 43 43 PRO HA H 1 4.096 . . 1 . . . . . 102 PRO HA . 53818 1 564 . 1 . 1 43 43 PRO HB2 H 1 2.075 . . 2 . . . . . 102 PRO HB2 . 53818 1 565 . 1 . 1 43 43 PRO HB3 H 1 2.542 . . 2 . . . . . 102 PRO HB3 . 53818 1 566 . 1 . 1 43 43 PRO HG2 H 1 1.901 . . 2 . . . . . 102 PRO HG2 . 53818 1 567 . 1 . 1 43 43 PRO HG3 H 1 2.396 . . 2 . . . . . 102 PRO HG3 . 53818 1 568 . 1 . 1 43 43 PRO HD2 H 1 4.179 . . 2 . . . . . 102 PRO HD2 . 53818 1 569 . 1 . 1 43 43 PRO HD3 H 1 4.018 . . 2 . . . . . 102 PRO HD3 . 53818 1 570 . 1 . 1 43 43 PRO C C 13 178.008 . . 1 . . . . . 102 PRO C . 53818 1 571 . 1 . 1 43 43 PRO CA C 13 66.475 . . 1 . . . . . 102 PRO CA . 53818 1 572 . 1 . 1 43 43 PRO CB C 13 32.291 . . 1 . . . . . 102 PRO CB . 53818 1 573 . 1 . 1 43 43 PRO CG C 13 28.660 . . 1 . . . . . 102 PRO CG . 53818 1 574 . 1 . 1 43 43 PRO CD C 13 50.003 . . 1 . . . . . 102 PRO CD . 53818 1 575 . 1 . 1 44 44 GLU H H 1 8.888 . . 1 . . . . . 103 GLU HN . 53818 1 576 . 1 . 1 44 44 GLU HA H 1 4.119 . . 1 . . . . . 103 GLU HA . 53818 1 577 . 1 . 1 44 44 GLU HB2 H 1 2.132 . . 2 . . . . . 103 GLU HB2 . 53818 1 578 . 1 . 1 44 44 GLU HB3 H 1 2.014 . . 2 . . . . . 103 GLU HB3 . 53818 1 579 . 1 . 1 44 44 GLU HG2 H 1 2.366 . . 2 . . . . . 103 GLU HG2 . 53818 1 580 . 1 . 1 44 44 GLU HG3 H 1 2.549 . . 2 . . . . . 103 GLU HG3 . 53818 1 581 . 1 . 1 44 44 GLU C C 13 179.635 . . 1 . . . . . 103 GLU C . 53818 1 582 . 1 . 1 44 44 GLU CA C 13 60.731 . . 1 . . . . . 103 GLU CA . 53818 1 583 . 1 . 1 44 44 GLU CB C 13 28.915 . . 1 . . . . . 103 GLU CB . 53818 1 584 . 1 . 1 44 44 GLU CG C 13 37.271 . . 1 . . . . . 103 GLU CG . 53818 1 585 . 1 . 1 44 44 GLU N N 15 115.494 . . 1 . . . . . 103 GLU N . 53818 1 586 . 1 . 1 45 45 GLN H H 1 7.860 . . 1 . . . . . 104 GLN HN . 53818 1 587 . 1 . 1 45 45 GLN HA H 1 4.084 . . 1 . . . . . 104 GLN HA . 53818 1 588 . 1 . 1 45 45 GLN HB2 H 1 2.424 . . 2 . . . . . 104 GLN HB2 . 53818 1 589 . 1 . 1 45 45 GLN HB3 H 1 2.027 . . 2 . . . . . 104 GLN HB3 . 53818 1 590 . 1 . 1 45 45 GLN HG2 H 1 2.513 . . 2 . . . . . 104 GLN HG2 . 53818 1 591 . 1 . 1 45 45 GLN HG3 H 1 2.513 . . 2 . . . . . 104 GLN HG3 . 53818 1 592 . 1 . 1 45 45 GLN HE21 H 1 7.474 . . 2 . . . . . 104 GLN HE21 . 53818 1 593 . 1 . 1 45 45 GLN HE22 H 1 6.802 . . 2 . . . . . 104 GLN HE22 . 53818 1 594 . 1 . 1 45 45 GLN C C 13 175.827 . . 1 . . . . . 104 GLN C . 53818 1 595 . 1 . 1 45 45 GLN CA C 13 58.810 . . 1 . . . . . 104 GLN CA . 53818 1 596 . 1 . 1 45 45 GLN CB C 13 29.199 . . 1 . . . . . 104 GLN CB . 53818 1 597 . 1 . 1 45 45 GLN CG C 13 34.478 . . 1 . . . . . 104 GLN CG . 53818 1 598 . 1 . 1 45 45 GLN N N 15 119.925 . . 1 . . . . . 104 GLN N . 53818 1 599 . 1 . 1 45 45 GLN NE2 N 15 110.189 . . 1 . . . . . 104 GLN NE2 . 53818 1 600 . 1 . 1 46 46 TYR H H 1 8.549 . . 1 . . . . . 105 TYR HN . 53818 1 601 . 1 . 1 46 46 TYR HA H 1 4.262 . . 1 . . . . . 105 TYR HA . 53818 1 602 . 1 . 1 46 46 TYR HB2 H 1 3.125 . . 2 . . . . . 105 TYR HB2 . 53818 1 603 . 1 . 1 46 46 TYR HB3 H 1 3.207 . . 2 . . . . . 105 TYR HB3 . 53818 1 604 . 1 . 1 46 46 TYR HD1 H 1 6.770 . . 3 . . . . . 105 TYR HD1 . 53818 1 605 . 1 . 1 46 46 TYR HD2 H 1 6.770 . . 3 . . . . . 105 TYR HD2 . 53818 1 606 . 1 . 1 46 46 TYR HE1 H 1 6.600 . . 3 . . . . . 105 TYR HE1 . 53818 1 607 . 1 . 1 46 46 TYR HE2 H 1 6.600 . . 3 . . . . . 105 TYR HE2 . 53818 1 608 . 1 . 1 46 46 TYR HH H 1 11.302 . . 1 . . . . . 105 TYR HH . 53818 1 609 . 1 . 1 46 46 TYR C C 13 176.721 . . 1 . . . . . 105 TYR C . 53818 1 610 . 1 . 1 46 46 TYR CA C 13 62.420 . . 1 . . . . . 105 TYR CA . 53818 1 611 . 1 . 1 46 46 TYR CB C 13 39.430 . . 1 . . . . . 105 TYR CB . 53818 1 612 . 1 . 1 46 46 TYR CE1 C 13 121.382 . . 3 . . . . . 105 TYR CE1 . 53818 1 613 . 1 . 1 46 46 TYR CE2 C 13 121.382 . . 3 . . . . . 105 TYR CE2 . 53818 1 614 . 1 . 1 46 46 TYR N N 15 122.878 . . 1 . . . . . 105 TYR N . 53818 1 615 . 1 . 1 47 47 ARG H H 1 8.596 . . 1 . . . . . 106 ARG HN . 53818 1 616 . 1 . 1 47 47 ARG HA H 1 3.781 . . 1 . . . . . 106 ARG HA . 53818 1 617 . 1 . 1 47 47 ARG HB2 H 1 1.701 . . 2 . . . . . 106 ARG HB2 . 53818 1 618 . 1 . 1 47 47 ARG HB3 H 1 1.914 . . 2 . . . . . 106 ARG HB3 . 53818 1 619 . 1 . 1 47 47 ARG HG2 H 1 1.359 . . 2 . . . . . 106 ARG HG2 . 53818 1 620 . 1 . 1 47 47 ARG HG3 H 1 2.271 . . 2 . . . . . 106 ARG HG3 . 53818 1 621 . 1 . 1 47 47 ARG HD2 H 1 3.328 . . 2 . . . . . 106 ARG HD2 . 53818 1 622 . 1 . 1 47 47 ARG HD3 H 1 3.667 . . 2 . . . . . 106 ARG HD3 . 53818 1 623 . 1 . 1 47 47 ARG HE H 1 7.761 . . 1 . . . . . 106 ARG HE . 53818 1 624 . 1 . 1 47 47 ARG C C 13 178.596 . . 1 . . . . . 106 ARG C . 53818 1 625 . 1 . 1 47 47 ARG CA C 13 59.996 . . 1 . . . . . 106 ARG CA . 53818 1 626 . 1 . 1 47 47 ARG CB C 13 30.057 . . 1 . . . . . 106 ARG CB . 53818 1 627 . 1 . 1 47 47 ARG CG C 13 29.150 . . 1 . . . . . 106 ARG CG . 53818 1 628 . 1 . 1 47 47 ARG CD C 13 43.700 . . 1 . . . . . 106 ARG CD . 53818 1 629 . 1 . 1 47 47 ARG N N 15 115.876 . . 1 . . . . . 106 ARG N . 53818 1 630 . 1 . 1 47 47 ARG NE N 15 86.964 . . 1 . . . . . 106 ARG NE . 53818 1 631 . 1 . 1 48 48 GLU H H 1 7.813 . . 1 . . . . . 107 GLU HN . 53818 1 632 . 1 . 1 48 48 GLU HA H 1 4.070 . . 1 . . . . . 107 GLU HA . 53818 1 633 . 1 . 1 48 48 GLU HB2 H 1 2.097 . . 2 . . . . . 107 GLU HB2 . 53818 1 634 . 1 . 1 48 48 GLU HB3 H 1 2.014 . . 2 . . . . . 107 GLU HB3 . 53818 1 635 . 1 . 1 48 48 GLU HG2 H 1 2.157 . . 2 . . . . . 107 GLU HG2 . 53818 1 636 . 1 . 1 48 48 GLU HG3 H 1 2.351 . . 2 . . . . . 107 GLU HG3 . 53818 1 637 . 1 . 1 48 48 GLU C C 13 179.381 . . 1 . . . . . 107 GLU C . 53818 1 638 . 1 . 1 48 48 GLU CA C 13 58.909 . . 1 . . . . . 107 GLU CA . 53818 1 639 . 1 . 1 48 48 GLU CB C 13 29.853 . . 1 . . . . . 107 GLU CB . 53818 1 640 . 1 . 1 48 48 GLU CG C 13 36.406 . . 1 . . . . . 107 GLU CG . 53818 1 641 . 1 . 1 48 48 GLU N N 15 116.940 . . 1 . . . . . 107 GLU N . 53818 1 642 . 1 . 1 49 49 LYS H H 1 8.163 . . 1 . . . . . 108 LYS HN . 53818 1 643 . 1 . 1 49 49 LYS HA H 1 3.657 . . 1 . . . . . 108 LYS HA . 53818 1 644 . 1 . 1 49 49 LYS HB2 H 1 1.630 . . 2 . . . . . 108 LYS HB2 . 53818 1 645 . 1 . 1 49 49 LYS HB3 H 1 1.418 . . 2 . . . . . 108 LYS HB3 . 53818 1 646 . 1 . 1 49 49 LYS HG2 H 1 -0.313 . . 2 . . . . . 108 LYS HG2 . 53818 1 647 . 1 . 1 49 49 LYS HG3 H 1 0.506 . . 2 . . . . . 108 LYS HG3 . 53818 1 648 . 1 . 1 49 49 LYS HD2 H 1 1.307 . . 2 . . . . . 108 LYS HD2 . 53818 1 649 . 1 . 1 49 49 LYS HD3 H 1 1.195 . . 2 . . . . . 108 LYS HD3 . 53818 1 650 . 1 . 1 49 49 LYS HE2 H 1 2.491 . . 2 . . . . . 108 LYS HE2 . 53818 1 651 . 1 . 1 49 49 LYS HE3 H 1 1.927 . . 2 . . . . . 108 LYS HE3 . 53818 1 652 . 1 . 1 49 49 LYS C C 13 177.786 . . 1 . . . . . 108 LYS C . 53818 1 653 . 1 . 1 49 49 LYS CA C 13 59.206 . . 1 . . . . . 108 LYS CA . 53818 1 654 . 1 . 1 49 49 LYS CB C 13 32.291 . . 1 . . . . . 108 LYS CB . 53818 1 655 . 1 . 1 49 49 LYS CG C 13 24.257 . . 1 . . . . . 108 LYS CG . 53818 1 656 . 1 . 1 49 49 LYS CD C 13 30.370 . . 1 . . . . . 108 LYS CD . 53818 1 657 . 1 . 1 49 49 LYS CE C 13 41.749 . . 1 . . . . . 108 LYS CE . 53818 1 658 . 1 . 1 49 49 LYS N N 15 120.691 . . 1 . . . . . 108 LYS N . 53818 1 659 . 1 . 1 50 50 TRP H H 1 7.088 . . 1 . . . . . 109 TRP HN . 53818 1 660 . 1 . 1 50 50 TRP HA H 1 4.654 . . 1 . . . . . 109 TRP HA . 53818 1 661 . 1 . 1 50 50 TRP HB2 H 1 2.272 . . 2 . . . . . 109 TRP HB2 . 53818 1 662 . 1 . 1 50 50 TRP HB3 H 1 3.243 . . 2 . . . . . 109 TRP HB3 . 53818 1 663 . 1 . 1 50 50 TRP HD1 H 1 5.974 . . 1 . . . . . 109 TRP HD1 . 53818 1 664 . 1 . 1 50 50 TRP HE1 H 1 9.823 . . 1 . . . . . 109 TRP HE1 . 53818 1 665 . 1 . 1 50 50 TRP HE3 H 1 7.534 . . 1 . . . . . 109 TRP HE3 . 53818 1 666 . 1 . 1 50 50 TRP HZ2 H 1 7.047 . . 1 . . . . . 109 TRP HZ2 . 53818 1 667 . 1 . 1 50 50 TRP HZ3 H 1 6.600 . . 1 . . . . . 109 TRP HZ3 . 53818 1 668 . 1 . 1 50 50 TRP HH2 H 1 6.813 . . 1 . . . . . 109 TRP HH2 . 53818 1 669 . 1 . 1 50 50 TRP C C 13 173.593 . . 1 . . . . . 109 TRP C . 53818 1 670 . 1 . 1 50 50 TRP CA C 13 55.662 . . 1 . . . . . 109 TRP CA . 53818 1 671 . 1 . 1 50 50 TRP CB C 13 29.630 . . 1 . . . . . 109 TRP CB . 53818 1 672 . 1 . 1 50 50 TRP CD1 C 13 128.622 . . 1 . . . . . 109 TRP CD1 . 53818 1 673 . 1 . 1 50 50 TRP CE3 C 13 120.089 . . 1 . . . . . 109 TRP CE3 . 53818 1 674 . 1 . 1 50 50 TRP CZ2 C 13 113.731 . . 1 . . . . . 109 TRP CZ2 . 53818 1 675 . 1 . 1 50 50 TRP CZ3 C 13 121.382 . . 1 . . . . . 109 TRP CZ3 . 53818 1 676 . 1 . 1 50 50 TRP CH2 C 13 123.840 . . 1 . . . . . 109 TRP CH2 . 53818 1 677 . 1 . 1 50 50 TRP N N 15 115.142 . . 1 . . . . . 109 TRP N . 53818 1 678 . 1 . 1 50 50 TRP NE1 N 15 127.449 . . 1 . . . . . 109 TRP NE1 . 53818 1 679 . 1 . 1 51 51 ASP H H 1 7.597 . . 1 . . . . . 110 ASP HN . 53818 1 680 . 1 . 1 51 51 ASP HA H 1 4.307 . . 1 . . . . . 110 ASP HA . 53818 1 681 . 1 . 1 51 51 ASP HB2 H 1 3.075 . . 2 . . . . . 110 ASP HB2 . 53818 1 682 . 1 . 1 51 51 ASP HB3 H 1 2.609 . . 2 . . . . . 110 ASP HB3 . 53818 1 683 . 1 . 1 51 51 ASP C C 13 175.080 . . 1 . . . . . 110 ASP C . 53818 1 684 . 1 . 1 51 51 ASP CA C 13 55.285 . . 1 . . . . . 110 ASP CA . 53818 1 685 . 1 . 1 51 51 ASP CB C 13 39.258 . . 1 . . . . . 110 ASP CB . 53818 1 686 . 1 . 1 51 51 ASP N N 15 118.254 . . 1 . . . . . 110 ASP N . 53818 1 687 . 1 . 1 52 52 LEU H H 1 8.619 . . 1 . . . . . 111 LEU HN . 53818 1 688 . 1 . 1 52 52 LEU HA H 1 4.505 . . 1 . . . . . 111 LEU HA . 53818 1 689 . 1 . 1 52 52 LEU HB2 H 1 1.307 . . 2 . . . . . 111 LEU HB2 . 53818 1 690 . 1 . 1 52 52 LEU HB3 H 1 1.307 . . 2 . . . . . 111 LEU HB3 . 53818 1 691 . 1 . 1 52 52 LEU HG H 1 1.335 . . 1 . . . . . 111 LEU HG . 53818 1 692 . 1 . 1 52 52 LEU HD11 H 1 -0.146 . . 2 . . . . . 111 LEU HD11 . 53818 1 693 . 1 . 1 52 52 LEU HD12 H 1 -0.146 . . 2 . . . . . 111 LEU HD11 . 53818 1 694 . 1 . 1 52 52 LEU HD13 H 1 -0.146 . . 2 . . . . . 111 LEU HD11 . 53818 1 695 . 1 . 1 52 52 LEU HD21 H 1 0.519 . . 2 . . . . . 111 LEU HD21 . 53818 1 696 . 1 . 1 52 52 LEU HD22 H 1 0.519 . . 2 . . . . . 111 LEU HD21 . 53818 1 697 . 1 . 1 52 52 LEU HD23 H 1 0.519 . . 2 . . . . . 111 LEU HD21 . 53818 1 698 . 1 . 1 52 52 LEU C C 13 176.767 . . 1 . . . . . 111 LEU C . 53818 1 699 . 1 . 1 52 52 LEU CA C 13 53.035 . . 1 . . . . . 111 LEU CA . 53818 1 700 . 1 . 1 52 52 LEU CB C 13 42.317 . . 1 . . . . . 111 LEU CB . 53818 1 701 . 1 . 1 52 52 LEU CG C 13 25.965 . . 1 . . . . . 111 LEU CG . 53818 1 702 . 1 . 1 52 52 LEU CD1 C 13 23.992 . . 1 . . . . . 111 LEU CD1 . 53818 1 703 . 1 . 1 52 52 LEU CD2 C 13 20.917 . . 1 . . . . . 111 LEU CD2 . 53818 1 704 . 1 . 1 52 52 LEU N N 15 117.025 . . 1 . . . . . 111 LEU N . 53818 1 705 . 1 . 1 53 53 ASP H H 1 8.526 . . 1 . . . . . 112 ASP HN . 53818 1 706 . 1 . 1 53 53 ASP HA H 1 4.860 . . 1 . . . . . 112 ASP HA . 53818 1 707 . 1 . 1 53 53 ASP HB2 H 1 2.707 . . 2 . . . . . 112 ASP HB2 . 53818 1 708 . 1 . 1 53 53 ASP HB3 H 1 2.822 . . 2 . . . . . 112 ASP HB3 . 53818 1 709 . 1 . 1 53 53 ASP CA C 13 53.256 . . 1 . . . . . 112 ASP CA . 53818 1 710 . 1 . 1 53 53 ASP CB C 13 42.033 . . 1 . . . . . 112 ASP CB . 53818 1 711 . 1 . 1 53 53 ASP N N 15 122.386 . . 1 . . . . . 112 ASP N . 53818 1 712 . 1 . 1 54 54 PRO HA H 1 4.318 . . 1 . . . . . 113 PRO HA . 53818 1 713 . 1 . 1 54 54 PRO HB2 H 1 1.898 . . 2 . . . . . 113 PRO HB2 . 53818 1 714 . 1 . 1 54 54 PRO HB3 H 1 2.425 . . 2 . . . . . 113 PRO HB3 . 53818 1 715 . 1 . 1 54 54 PRO HG2 H 1 2.063 . . 2 . . . . . 113 PRO HG2 . 53818 1 716 . 1 . 1 54 54 PRO HG3 H 1 2.063 . . 2 . . . . . 113 PRO HG3 . 53818 1 717 . 1 . 1 54 54 PRO HD2 H 1 3.767 . . 2 . . . . . 113 PRO HD2 . 53818 1 718 . 1 . 1 54 54 PRO HD3 H 1 3.872 . . 2 . . . . . 113 PRO HD3 . 53818 1 719 . 1 . 1 54 54 PRO C C 13 176.538 . . 1 . . . . . 113 PRO C . 53818 1 720 . 1 . 1 54 54 PRO CA C 13 65.209 . . 1 . . . . . 113 PRO CA . 53818 1 721 . 1 . 1 54 54 PRO CB C 13 32.154 . . 1 . . . . . 113 PRO CB . 53818 1 722 . 1 . 1 54 54 PRO CG C 13 27.444 . . 1 . . . . . 113 PRO CG . 53818 1 723 . 1 . 1 54 54 PRO CD C 13 50.805 . . 1 . . . . . 113 PRO CD . 53818 1 724 . 1 . 1 55 55 ASN H H 1 8.485 . . 1 . . . . . 114 ASN HN . 53818 1 725 . 1 . 1 55 55 ASN HA H 1 4.803 . . 1 . . . . . 114 ASN HA . 53818 1 726 . 1 . 1 55 55 ASN HB2 H 1 2.887 . . 2 . . . . . 114 ASN HB2 . 53818 1 727 . 1 . 1 55 55 ASN HB3 H 1 2.760 . . 2 . . . . . 114 ASN HB3 . 53818 1 728 . 1 . 1 55 55 ASN HD21 H 1 7.708 . . 2 . . . . . 114 ASN HD21 . 53818 1 729 . 1 . 1 55 55 ASN HD22 H 1 6.889 . . 2 . . . . . 114 ASN HD22 . 53818 1 730 . 1 . 1 55 55 ASN C C 13 175.360 . . 1 . . . . . 114 ASN C . 53818 1 731 . 1 . 1 55 55 ASN CA C 13 52.376 . . 1 . . . . . 114 ASN CA . 53818 1 732 . 1 . 1 55 55 ASN CB C 13 38.584 . . 1 . . . . . 114 ASN CB . 53818 1 733 . 1 . 1 55 55 ASN N N 15 112.979 . . 1 . . . . . 114 ASN N . 53818 1 734 . 1 . 1 55 55 ASN ND2 N 15 113.415 . . 1 . . . . . 114 ASN ND2 . 53818 1 735 . 1 . 1 56 56 TYR H H 1 8.280 . . 1 . . . . . 115 TYR HN . 53818 1 736 . 1 . 1 56 56 TYR HA H 1 4.529 . . 1 . . . . . 115 TYR HA . 53818 1 737 . 1 . 1 56 56 TYR HB2 H 1 2.739 . . 2 . . . . . 115 TYR HB2 . 53818 1 738 . 1 . 1 56 56 TYR HB3 H 1 3.406 . . 2 . . . . . 115 TYR HB3 . 53818 1 739 . 1 . 1 56 56 TYR HD1 H 1 7.148 . . 3 . . . . . 115 TYR HD1 . 53818 1 740 . 1 . 1 56 56 TYR HD2 H 1 7.148 . . 3 . . . . . 115 TYR HD2 . 53818 1 741 . 1 . 1 56 56 TYR HE1 H 1 6.807 . . 3 . . . . . 115 TYR HE1 . 53818 1 742 . 1 . 1 56 56 TYR HE2 H 1 6.807 . . 3 . . . . . 115 TYR HE2 . 53818 1 743 . 1 . 1 56 56 TYR HH H 1 11.359 . . 1 . . . . . 115 TYR HH . 53818 1 744 . 1 . 1 56 56 TYR CA C 13 57.336 . . 1 . . . . . 115 TYR CA . 53818 1 745 . 1 . 1 56 56 TYR CB C 13 39.693 . . 1 . . . . . 115 TYR CB . 53818 1 746 . 1 . 1 56 56 TYR CD1 C 13 134.384 . . 3 . . . . . 115 TYR CD1 . 53818 1 747 . 1 . 1 56 56 TYR CD2 C 13 134.384 . . 3 . . . . . 115 TYR CD2 . 53818 1 748 . 1 . 1 56 56 TYR CE1 C 13 118.126 . . 3 . . . . . 115 TYR CE1 . 53818 1 749 . 1 . 1 56 56 TYR CE2 C 13 118.126 . . 3 . . . . . 115 TYR CE2 . 53818 1 750 . 1 . 1 56 56 TYR N N 15 126.380 . . 1 . . . . . 115 TYR N . 53818 1 751 . 1 . 1 57 57 PRO HA H 1 4.447 . . 1 . . . . . 116 PRO HA . 53818 1 752 . 1 . 1 57 57 PRO HB2 H 1 2.103 . . 2 . . . . . 116 PRO HB2 . 53818 1 753 . 1 . 1 57 57 PRO HB3 H 1 2.214 . . 2 . . . . . 116 PRO HB3 . 53818 1 754 . 1 . 1 57 57 PRO HG2 H 1 1.678 . . 2 . . . . . 116 PRO HG2 . 53818 1 755 . 1 . 1 57 57 PRO HG3 H 1 1.868 . . 2 . . . . . 116 PRO HG3 . 53818 1 756 . 1 . 1 57 57 PRO HD2 H 1 2.484 . . 2 . . . . . 116 PRO HD2 . 53818 1 757 . 1 . 1 57 57 PRO HD3 H 1 3.511 . . 2 . . . . . 116 PRO HD3 . 53818 1 758 . 1 . 1 57 57 PRO C C 13 173.791 . . 1 . . . . . 116 PRO C . 53818 1 759 . 1 . 1 57 57 PRO CA C 13 63.273 . . 1 . . . . . 116 PRO CA . 53818 1 760 . 1 . 1 57 57 PRO CB C 13 33.017 . . 1 . . . . . 116 PRO CB . 53818 1 761 . 1 . 1 57 57 PRO CG C 13 26.960 . . 1 . . . . . 116 PRO CG . 53818 1 762 . 1 . 1 57 57 PRO CD C 13 50.196 . . 1 . . . . . 116 PRO CD . 53818 1 763 . 1 . 1 58 58 MET H H 1 8.198 . . 1 . . . . . 117 MET HN . 53818 1 764 . 1 . 1 58 58 MET HA H 1 5.057 . . 1 . . . . . 117 MET HA . 53818 1 765 . 1 . 1 58 58 MET HB2 H 1 2.087 . . 2 . . . . . 117 MET HB2 . 53818 1 766 . 1 . 1 58 58 MET HB3 H 1 2.087 . . 2 . . . . . 117 MET HB3 . 53818 1 767 . 1 . 1 58 58 MET HG2 H 1 2.349 . . 2 . . . . . 117 MET HG2 . 53818 1 768 . 1 . 1 58 58 MET HG3 H 1 3.032 . . 2 . . . . . 117 MET HG3 . 53818 1 769 . 1 . 1 58 58 MET HE1 H 1 2.215 . . 1 . . . . . 117 MET HE1 . 53818 1 770 . 1 . 1 58 58 MET HE2 H 1 2.215 . . 1 . . . . . 117 MET HE1 . 53818 1 771 . 1 . 1 58 58 MET HE3 H 1 2.215 . . 1 . . . . . 117 MET HE1 . 53818 1 772 . 1 . 1 58 58 MET C C 13 176.537 . . 1 . . . . . 117 MET C . 53818 1 773 . 1 . 1 58 58 MET CA C 13 52.815 . . 1 . . . . . 117 MET CA . 53818 1 774 . 1 . 1 58 58 MET CB C 13 36.409 . . 1 . . . . . 117 MET CB . 53818 1 775 . 1 . 1 58 58 MET CG C 13 34.077 . . 1 . . . . . 117 MET CG . 53818 1 776 . 1 . 1 58 58 MET CE C 13 20.189 . . 1 . . . . . 117 MET CE . 53818 1 777 . 1 . 1 58 58 MET N N 15 109.151 . . 1 . . . . . 117 MET N . 53818 1 778 . 1 . 1 59 59 VAL H H 1 7.427 . . 1 . . . . . 118 VAL HN . 53818 1 779 . 1 . 1 59 59 VAL HA H 1 5.063 . . 1 . . . . . 118 VAL HA . 53818 1 780 . 1 . 1 59 59 VAL HB H 1 2.151 . . 1 . . . . . 118 VAL HB . 53818 1 781 . 1 . 1 59 59 VAL HG11 H 1 1.159 . . 2 . . . . . 118 VAL HG11 . 53818 1 782 . 1 . 1 59 59 VAL HG12 H 1 1.159 . . 2 . . . . . 118 VAL HG11 . 53818 1 783 . 1 . 1 59 59 VAL HG13 H 1 1.159 . . 2 . . . . . 118 VAL HG11 . 53818 1 784 . 1 . 1 59 59 VAL HG21 H 1 1.092 . . 2 . . . . . 118 VAL HG21 . 53818 1 785 . 1 . 1 59 59 VAL HG22 H 1 1.092 . . 2 . . . . . 118 VAL HG21 . 53818 1 786 . 1 . 1 59 59 VAL HG23 H 1 1.092 . . 2 . . . . . 118 VAL HG21 . 53818 1 787 . 1 . 1 59 59 VAL C C 13 174.597 . . 1 . . . . . 118 VAL C . 53818 1 788 . 1 . 1 59 59 VAL CA C 13 58.977 . . 1 . . . . . 118 VAL CA . 53818 1 789 . 1 . 1 59 59 VAL CB C 13 35.437 . . 1 . . . . . 118 VAL CB . 53818 1 790 . 1 . 1 59 59 VAL CG1 C 13 22.268 . . 1 . . . . . 118 VAL CG1 . 53818 1 791 . 1 . 1 59 59 VAL CG2 C 13 21.362 . . 1 . . . . . 118 VAL CG2 . 53818 1 792 . 1 . 1 59 59 VAL N N 15 117.407 . . 1 . . . . . 118 VAL N . 53818 1 793 . 1 . 1 60 60 ALA H H 1 8.958 . . 1 . . . . . 119 ALA HN . 53818 1 794 . 1 . 1 60 60 ALA HA H 1 4.341 . . 1 . . . . . 119 ALA HA . 53818 1 795 . 1 . 1 60 60 ALA HB1 H 1 1.501 . . 1 . . . . . 119 ALA HB1 . 53818 1 796 . 1 . 1 60 60 ALA HB2 H 1 1.501 . . 1 . . . . . 119 ALA HB1 . 53818 1 797 . 1 . 1 60 60 ALA HB3 H 1 1.501 . . 1 . . . . . 119 ALA HB1 . 53818 1 798 . 1 . 1 60 60 ALA CA C 13 50.849 . . 1 . . . . . 119 ALA CA . 53818 1 799 . 1 . 1 60 60 ALA CB C 13 17.242 . . 1 . . . . . 119 ALA CB . 53818 1 800 . 1 . 1 60 60 ALA N N 15 129.548 . . 1 . . . . . 119 ALA N . 53818 1 801 . 1 . 1 61 61 PRO HA H 1 4.330 . . 1 . . . . . 120 PRO HA . 53818 1 802 . 1 . 1 61 61 PRO HB2 H 1 2.403 . . 2 . . . . . 120 PRO HB2 . 53818 1 803 . 1 . 1 61 61 PRO HB3 H 1 2.040 . . 2 . . . . . 120 PRO HB3 . 53818 1 804 . 1 . 1 61 61 PRO HG2 H 1 2.016 . . 2 . . . . . 120 PRO HG2 . 53818 1 805 . 1 . 1 61 61 PRO HG3 H 1 2.170 . . 2 . . . . . 120 PRO HG3 . 53818 1 806 . 1 . 1 61 61 PRO HD2 H 1 3.606 . . 2 . . . . . 120 PRO HD2 . 53818 1 807 . 1 . 1 61 61 PRO HD3 H 1 4.320 . . 2 . . . . . 120 PRO HD3 . 53818 1 808 . 1 . 1 61 61 PRO C C 13 179.238 . . 1 . . . . . 120 PRO C . 53818 1 809 . 1 . 1 61 61 PRO CA C 13 66.244 . . 1 . . . . . 120 PRO CA . 53818 1 810 . 1 . 1 61 61 PRO CB C 13 32.694 . . 1 . . . . . 120 PRO CB . 53818 1 811 . 1 . 1 61 61 PRO CG C 13 27.058 . . 1 . . . . . 120 PRO CG . 53818 1 812 . 1 . 1 61 61 PRO CD C 13 50.199 . . 1 . . . . . 120 PRO CD . 53818 1 813 . 1 . 1 62 62 ASN H H 1 9.256 . . 1 . . . . . 121 ASN HN . 53818 1 814 . 1 . 1 62 62 ASN HA H 1 4.671 . . 1 . . . . . 121 ASN HA . 53818 1 815 . 1 . 1 62 62 ASN HB2 H 1 3.011 . . 2 . . . . . 121 ASN HB2 . 53818 1 816 . 1 . 1 62 62 ASN HB3 H 1 2.834 . . 2 . . . . . 121 ASN HB3 . 53818 1 817 . 1 . 1 62 62 ASN HD21 H 1 7.848 . . 2 . . . . . 121 ASN HD21 . 53818 1 818 . 1 . 1 62 62 ASN HD22 H 1 6.936 . . 2 . . . . . 121 ASN HD22 . 53818 1 819 . 1 . 1 62 62 ASN C C 13 178.205 . . 1 . . . . . 121 ASN C . 53818 1 820 . 1 . 1 62 62 ASN CA C 13 55.117 . . 1 . . . . . 121 ASN CA . 53818 1 821 . 1 . 1 62 62 ASN CB C 13 37.069 . . 1 . . . . . 121 ASN CB . 53818 1 822 . 1 . 1 62 62 ASN N N 15 114.621 . . 1 . . . . . 121 ASN N . 53818 1 823 . 1 . 1 62 62 ASN ND2 N 15 111.010 . . 1 . . . . . 121 ASN ND2 . 53818 1 824 . 1 . 1 63 63 TYR H H 1 7.895 . . 1 . . . . . 122 TYR HN . 53818 1 825 . 1 . 1 63 63 TYR HA H 1 4.762 . . 1 . . . . . 122 TYR HA . 53818 1 826 . 1 . 1 63 63 TYR HB2 H 1 3.231 . . 2 . . . . . 122 TYR HB2 . 53818 1 827 . 1 . 1 63 63 TYR HB3 H 1 3.231 . . 2 . . . . . 122 TYR HB3 . 53818 1 828 . 1 . 1 63 63 TYR HD1 H 1 7.258 . . 3 . . . . . 122 TYR HD1 . 53818 1 829 . 1 . 1 63 63 TYR HD2 H 1 7.258 . . 3 . . . . . 122 TYR HD2 . 53818 1 830 . 1 . 1 63 63 TYR HE1 H 1 6.878 . . 3 . . . . . 122 TYR HE1 . 53818 1 831 . 1 . 1 63 63 TYR HE2 H 1 6.878 . . 3 . . . . . 122 TYR HE2 . 53818 1 832 . 1 . 1 63 63 TYR C C 13 176.639 . . 1 . . . . . 122 TYR C . 53818 1 833 . 1 . 1 63 63 TYR CA C 13 59.816 . . 1 . . . . . 122 TYR CA . 53818 1 834 . 1 . 1 63 63 TYR CB C 13 38.342 . . 1 . . . . . 122 TYR CB . 53818 1 835 . 1 . 1 63 63 TYR CD1 C 13 133.386 . . 3 . . . . . 122 TYR CD1 . 53818 1 836 . 1 . 1 63 63 TYR CD2 C 13 133.386 . . 3 . . . . . 122 TYR CD2 . 53818 1 837 . 1 . 1 63 63 TYR CE1 C 13 118.220 . . 3 . . . . . 122 TYR CE1 . 53818 1 838 . 1 . 1 63 63 TYR CE2 C 13 118.220 . . 3 . . . . . 122 TYR CE2 . 53818 1 839 . 1 . 1 63 63 TYR N N 15 123.042 . . 1 . . . . . 122 TYR N . 53818 1 840 . 1 . 1 64 64 ALA H H 1 8.234 . . 1 . . . . . 123 ALA HN . 53818 1 841 . 1 . 1 64 64 ALA HA H 1 3.816 . . 1 . . . . . 123 ALA HA . 53818 1 842 . 1 . 1 64 64 ALA HB1 H 1 1.454 . . 1 . . . . . 123 ALA HB1 . 53818 1 843 . 1 . 1 64 64 ALA HB2 H 1 1.454 . . 1 . . . . . 123 ALA HB1 . 53818 1 844 . 1 . 1 64 64 ALA HB3 H 1 1.454 . . 1 . . . . . 123 ALA HB1 . 53818 1 845 . 1 . 1 64 64 ALA C C 13 180.018 . . 1 . . . . . 123 ALA C . 53818 1 846 . 1 . 1 64 64 ALA CA C 13 55.164 . . 1 . . . . . 123 ALA CA . 53818 1 847 . 1 . 1 64 64 ALA CB C 13 18.256 . . 1 . . . . . 123 ALA CB . 53818 1 848 . 1 . 1 64 64 ALA N N 15 123.480 . . 1 . . . . . 123 ALA N . 53818 1 849 . 1 . 1 65 65 ALA H H 1 8.005 . . 1 . . . . . 124 ALA HN . 53818 1 850 . 1 . 1 65 65 ALA HA H 1 4.162 . . 1 . . . . . 124 ALA HA . 53818 1 851 . 1 . 1 65 65 ALA HB1 H 1 1.501 . . 1 . . . . . 124 ALA HB1 . 53818 1 852 . 1 . 1 65 65 ALA HB2 H 1 1.501 . . 1 . . . . . 124 ALA HB1 . 53818 1 853 . 1 . 1 65 65 ALA HB3 H 1 1.501 . . 1 . . . . . 124 ALA HB1 . 53818 1 854 . 1 . 1 65 65 ALA C C 13 179.872 . . 1 . . . . . 124 ALA C . 53818 1 855 . 1 . 1 65 65 ALA CA C 13 54.430 . . 1 . . . . . 124 ALA CA . 53818 1 856 . 1 . 1 65 65 ALA CB C 13 18.256 . . 1 . . . . . 124 ALA CB . 53818 1 857 . 1 . 1 65 65 ALA N N 15 119.106 . . 1 . . . . . 124 ALA N . 53818 1 858 . 1 . 1 66 66 ALA H H 1 7.825 . . 1 . . . . . 125 ALA HN . 53818 1 859 . 1 . 1 66 66 ALA HA H 1 4.122 . . 1 . . . . . 125 ALA HA . 53818 1 860 . 1 . 1 66 66 ALA HB1 H 1 1.590 . . 1 . . . . . 125 ALA HB1 . 53818 1 861 . 1 . 1 66 66 ALA HB2 H 1 1.590 . . 1 . . . . . 125 ALA HB1 . 53818 1 862 . 1 . 1 66 66 ALA HB3 H 1 1.590 . . 1 . . . . . 125 ALA HB1 . 53818 1 863 . 1 . 1 66 66 ALA C C 13 180.464 . . 1 . . . . . 125 ALA C . 53818 1 864 . 1 . 1 66 66 ALA CA C 13 54.787 . . 1 . . . . . 125 ALA CA . 53818 1 865 . 1 . 1 66 66 ALA CB C 13 18.143 . . 1 . . . . . 125 ALA CB . 53818 1 866 . 1 . 1 66 66 ALA N N 15 122.001 . . 1 . . . . . 125 ALA N . 53818 1 867 . 1 . 1 67 67 ARG H H 1 8.245 . . 1 . . . . . 126 ARG HN . 53818 1 868 . 1 . 1 67 67 ARG HA H 1 4.038 . . 1 . . . . . 126 ARG HA . 53818 1 869 . 1 . 1 67 67 ARG HB2 H 1 1.832 . . 2 . . . . . 126 ARG HB2 . 53818 1 870 . 1 . 1 67 67 ARG HB3 H 1 1.832 . . 2 . . . . . 126 ARG HB3 . 53818 1 871 . 1 . 1 67 67 ARG HG2 H 1 1.350 . . 2 . . . . . 126 ARG HG2 . 53818 1 872 . 1 . 1 67 67 ARG HG3 H 1 1.350 . . 2 . . . . . 126 ARG HG3 . 53818 1 873 . 1 . 1 67 67 ARG HD2 H 1 3.050 . . 2 . . . . . 126 ARG HD2 . 53818 1 874 . 1 . 1 67 67 ARG HD3 H 1 3.190 . . 2 . . . . . 126 ARG HD3 . 53818 1 875 . 1 . 1 67 67 ARG C C 13 178.675 . . 1 . . . . . 126 ARG C . 53818 1 876 . 1 . 1 67 67 ARG CA C 13 57.466 . . 1 . . . . . 126 ARG CA . 53818 1 877 . 1 . 1 67 67 ARG CB C 13 29.260 . . 1 . . . . . 126 ARG CB . 53818 1 878 . 1 . 1 67 67 ARG CG C 13 26.231 . . 1 . . . . . 126 ARG CG . 53818 1 879 . 1 . 1 67 67 ARG CD C 13 42.218 . . 1 . . . . . 126 ARG CD . 53818 1 880 . 1 . 1 67 67 ARG N N 15 117.409 . . 1 . . . . . 126 ARG N . 53818 1 881 . 1 . 1 68 68 SER H H 1 8.117 . . 1 . . . . . 127 SER HN . 53818 1 882 . 1 . 1 68 68 SER HA H 1 4.264 . . 1 . . . . . 127 SER HA . 53818 1 883 . 1 . 1 68 68 SER HB2 H 1 3.990 . . 2 . . . . . 127 SER HB2 . 53818 1 884 . 1 . 1 68 68 SER HB3 H 1 3.990 . . 2 . . . . . 127 SER HB3 . 53818 1 885 . 1 . 1 68 68 SER C C 13 176.095 . . 1 . . . . . 127 SER C . 53818 1 886 . 1 . 1 68 68 SER CA C 13 60.980 . . 1 . . . . . 127 SER CA . 53818 1 887 . 1 . 1 68 68 SER CB C 13 63.103 . . 1 . . . . . 127 SER CB . 53818 1 888 . 1 . 1 68 68 SER N N 15 115.932 . . 1 . . . . . 127 SER N . 53818 1 889 . 1 . 1 69 69 ARG H H 1 8.001 . . 1 . . . . . 128 ARG HN . 53818 1 890 . 1 . 1 69 69 ARG HA H 1 4.084 . . 1 . . . . . 128 ARG HA . 53818 1 891 . 1 . 1 69 69 ARG HB2 H 1 1.912 . . 2 . . . . . 128 ARG HB2 . 53818 1 892 . 1 . 1 69 69 ARG HB3 H 1 1.912 . . 2 . . . . . 128 ARG HB3 . 53818 1 893 . 1 . 1 69 69 ARG HG2 H 1 1.611 . . 2 . . . . . 128 ARG HG2 . 53818 1 894 . 1 . 1 69 69 ARG HG3 H 1 1.822 . . 2 . . . . . 128 ARG HG3 . 53818 1 895 . 1 . 1 69 69 ARG HD2 H 1 3.212 . . 2 . . . . . 128 ARG HD2 . 53818 1 896 . 1 . 1 69 69 ARG HD3 H 1 3.278 . . 2 . . . . . 128 ARG HD3 . 53818 1 897 . 1 . 1 69 69 ARG C C 13 178.790 . . 1 . . . . . 128 ARG C . 53818 1 898 . 1 . 1 69 69 ARG CA C 13 58.972 . . 1 . . . . . 128 ARG CA . 53818 1 899 . 1 . 1 69 69 ARG CB C 13 30.361 . . 1 . . . . . 128 ARG CB . 53818 1 900 . 1 . 1 69 69 ARG CG C 13 27.706 . . 1 . . . . . 128 ARG CG . 53818 1 901 . 1 . 1 69 69 ARG CD C 13 43.474 . . 1 . . . . . 128 ARG CD . 53818 1 902 . 1 . 1 69 69 ARG N N 15 119.761 . . 1 . . . . . 128 ARG N . 53818 1 903 . 1 . 1 70 70 LEU H H 1 7.965 . . 1 . . . . . 129 LEU HN . 53818 1 904 . 1 . 1 70 70 LEU HA H 1 4.159 . . 1 . . . . . 129 LEU HA . 53818 1 905 . 1 . 1 70 70 LEU HB2 H 1 1.676 . . 2 . . . . . 129 LEU HB2 . 53818 1 906 . 1 . 1 70 70 LEU HB3 H 1 1.752 . . 2 . . . . . 129 LEU HB3 . 53818 1 907 . 1 . 1 70 70 LEU HG H 1 1.724 . . 1 . . . . . 129 LEU HG . 53818 1 908 . 1 . 1 70 70 LEU HD11 H 1 0.934 . . 2 . . . . . 129 LEU HD11 . 53818 1 909 . 1 . 1 70 70 LEU HD12 H 1 0.934 . . 2 . . . . . 129 LEU HD11 . 53818 1 910 . 1 . 1 70 70 LEU HD13 H 1 0.934 . . 2 . . . . . 129 LEU HD11 . 53818 1 911 . 1 . 1 70 70 LEU HD21 H 1 0.951 . . 2 . . . . . 129 LEU HD21 . 53818 1 912 . 1 . 1 70 70 LEU HD22 H 1 0.951 . . 2 . . . . . 129 LEU HD21 . 53818 1 913 . 1 . 1 70 70 LEU HD23 H 1 0.951 . . 2 . . . . . 129 LEU HD21 . 53818 1 914 . 1 . 1 70 70 LEU C C 13 178.215 . . 1 . . . . . 129 LEU C . 53818 1 915 . 1 . 1 70 70 LEU CA C 13 56.964 . . 1 . . . . . 129 LEU CA . 53818 1 916 . 1 . 1 70 70 LEU CB C 13 42.286 . . 1 . . . . . 129 LEU CB . 53818 1 917 . 1 . 1 70 70 LEU CG C 13 26.990 . . 1 . . . . . 129 LEU CG . 53818 1 918 . 1 . 1 70 70 LEU CD1 C 13 24.339 . . 1 . . . . . 129 LEU CD1 . 53818 1 919 . 1 . 1 70 70 LEU CD2 C 13 24.648 . . 1 . . . . . 129 LEU CD2 . 53818 1 920 . 1 . 1 70 70 LEU N N 15 120.389 . . 1 . . . . . 129 LEU N . 53818 1 921 . 1 . 1 71 71 ALA H H 1 7.942 . . 1 . . . . . 130 ALA HN . 53818 1 922 . 1 . 1 71 71 ALA HA H 1 4.166 . . 1 . . . . . 130 ALA HA . 53818 1 923 . 1 . 1 71 71 ALA HB1 H 1 1.501 . . 1 . . . . . 130 ALA HB1 . 53818 1 924 . 1 . 1 71 71 ALA HB2 H 1 1.501 . . 1 . . . . . 130 ALA HB1 . 53818 1 925 . 1 . 1 71 71 ALA HB3 H 1 1.501 . . 1 . . . . . 130 ALA HB1 . 53818 1 926 . 1 . 1 71 71 ALA C C 13 179.502 . . 1 . . . . . 130 ALA C . 53818 1 927 . 1 . 1 71 71 ALA CA C 13 54.084 . . 1 . . . . . 130 ALA CA . 53818 1 928 . 1 . 1 71 71 ALA CB C 13 19.030 . . 1 . . . . . 130 ALA CB . 53818 1 929 . 1 . 1 71 71 ALA N N 15 121.865 . . 1 . . . . . 130 ALA N . 53818 1 930 . 1 . 1 72 72 LYS H H 1 7.965 . . 1 . . . . . 131 LYS HN . 53818 1 931 . 1 . 1 72 72 LYS HA H 1 4.166 . . 1 . . . . . 131 LYS HA . 53818 1 932 . 1 . 1 72 72 LYS HB2 H 1 1.892 . . 2 . . . . . 131 LYS HB2 . 53818 1 933 . 1 . 1 72 72 LYS HB3 H 1 1.827 . . 2 . . . . . 131 LYS HB3 . 53818 1 934 . 1 . 1 72 72 LYS HG2 H 1 1.569 . . 2 . . . . . 131 LYS HG2 . 53818 1 935 . 1 . 1 72 72 LYS HG3 H 1 1.432 . . 2 . . . . . 131 LYS HG3 . 53818 1 936 . 1 . 1 72 72 LYS HD2 H 1 1.677 . . 2 . . . . . 131 LYS HD2 . 53818 1 937 . 1 . 1 72 72 LYS HD3 H 1 1.677 . . 2 . . . . . 131 LYS HD3 . 53818 1 938 . 1 . 1 72 72 LYS HE2 H 1 2.974 . . 2 . . . . . 131 LYS HE2 . 53818 1 939 . 1 . 1 72 72 LYS HE3 H 1 2.974 . . 2 . . . . . 131 LYS HE3 . 53818 1 940 . 1 . 1 72 72 LYS C C 13 177.832 . . 1 . . . . . 131 LYS C . 53818 1 941 . 1 . 1 72 72 LYS CA C 13 57.849 . . 1 . . . . . 131 LYS CA . 53818 1 942 . 1 . 1 72 72 LYS CB C 13 32.569 . . 1 . . . . . 131 LYS CB . 53818 1 943 . 1 . 1 72 72 LYS CG C 13 25.264 . . 1 . . . . . 131 LYS CG . 53818 1 944 . 1 . 1 72 72 LYS CD C 13 29.170 . . 1 . . . . . 131 LYS CD . 53818 1 945 . 1 . 1 72 72 LYS CE C 13 42.308 . . 1 . . . . . 131 LYS CE . 53818 1 946 . 1 . 1 72 72 LYS N N 15 118.393 . . 1 . . . . . 131 LYS N . 53818 1 947 . 1 . 1 73 73 LYS H H 1 7.965 . . 1 . . . . . 132 LYS HN . 53818 1 948 . 1 . 1 73 73 LYS HA H 1 4.166 . . 1 . . . . . 132 LYS HA . 53818 1 949 . 1 . 1 73 73 LYS HB2 H 1 1.893 . . 2 . . . . . 132 LYS HB2 . 53818 1 950 . 1 . 1 73 73 LYS HB3 H 1 1.827 . . 2 . . . . . 132 LYS HB3 . 53818 1 951 . 1 . 1 73 73 LYS HG2 H 1 1.509 . . 2 . . . . . 132 LYS HG2 . 53818 1 952 . 1 . 1 73 73 LYS HG3 H 1 1.430 . . 2 . . . . . 132 LYS HG3 . 53818 1 953 . 1 . 1 73 73 LYS HD2 H 1 1.675 . . 2 . . . . . 132 LYS HD2 . 53818 1 954 . 1 . 1 73 73 LYS HD3 H 1 1.675 . . 2 . . . . . 132 LYS HD3 . 53818 1 955 . 1 . 1 73 73 LYS HE2 H 1 2.994 . . 2 . . . . . 132 LYS HE2 . 53818 1 956 . 1 . 1 73 73 LYS HE3 H 1 2.994 . . 2 . . . . . 132 LYS HE3 . 53818 1 957 . 1 . 1 73 73 LYS C C 13 177.599 . . 1 . . . . . 132 LYS C . 53818 1 958 . 1 . 1 73 73 LYS CA C 13 57.883 . . 1 . . . . . 132 LYS CA . 53818 1 959 . 1 . 1 73 73 LYS CB C 13 32.569 . . 1 . . . . . 132 LYS CB . 53818 1 960 . 1 . 1 73 73 LYS CG C 13 24.794 . . 1 . . . . . 132 LYS CG . 53818 1 961 . 1 . 1 73 73 LYS CD C 13 29.142 . . 1 . . . . . 132 LYS CD . 53818 1 962 . 1 . 1 73 73 LYS CE C 13 42.226 . . 1 . . . . . 132 LYS CE . 53818 1 963 . 1 . 1 73 73 LYS N N 15 120.617 . . 1 . . . . . 132 LYS N . 53818 1 964 . 1 . 1 74 74 MET H H 1 8.140 . . 1 . . . . . 133 MET HN . 53818 1 965 . 1 . 1 74 74 MET HA H 1 4.366 . . 1 . . . . . 133 MET HA . 53818 1 966 . 1 . 1 74 74 MET HB2 H 1 2.049 . . 2 . . . . . 133 MET HB2 . 53818 1 967 . 1 . 1 74 74 MET HB3 H 1 2.087 . . 2 . . . . . 133 MET HB3 . 53818 1 968 . 1 . 1 74 74 MET HG2 H 1 2.529 . . 2 . . . . . 133 MET HG2 . 53818 1 969 . 1 . 1 74 74 MET HG3 H 1 2.622 . . 2 . . . . . 133 MET HG3 . 53818 1 970 . 1 . 1 74 74 MET HE1 H 1 2.016 . . 1 . . . . . 133 MET HE1 . 53818 1 971 . 1 . 1 74 74 MET HE2 H 1 2.016 . . 1 . . . . . 133 MET HE1 . 53818 1 972 . 1 . 1 74 74 MET HE3 H 1 2.016 . . 1 . . . . . 133 MET HE1 . 53818 1 973 . 1 . 1 74 74 MET C C 13 177.226 . . 1 . . . . . 133 MET C . 53818 1 974 . 1 . 1 74 74 MET CA C 13 56.370 . . 1 . . . . . 133 MET CA . 53818 1 975 . 1 . 1 74 74 MET CB C 13 32.775 . . 1 . . . . . 133 MET CB . 53818 1 976 . 1 . 1 74 74 MET CG C 13 32.026 . . 1 . . . . . 133 MET CG . 53818 1 977 . 1 . 1 74 74 MET CE C 13 16.800 . . 1 . . . . . 133 MET CE . 53818 1 978 . 1 . 1 74 74 MET N N 15 118.610 . . 1 . . . . . 133 MET N . 53818 1 979 . 1 . 1 75 75 GLY H H 1 8.163 . . 1 . . . . . 134 GLY HN . 53818 1 980 . 1 . 1 75 75 GLY HA2 H 1 3.950 . . 2 . . . . . 134 GLY HA2 . 53818 1 981 . 1 . 1 75 75 GLY HA3 H 1 3.950 . . 2 . . . . . 134 GLY HA3 . 53818 1 982 . 1 . 1 75 75 GLY C C 13 174.702 . . 1 . . . . . 134 GLY C . 53818 1 983 . 1 . 1 75 75 GLY CA C 13 45.845 . . 1 . . . . . 134 GLY CA . 53818 1 984 . 1 . 1 75 75 GLY N N 15 108.577 . . 1 . . . . . 134 GLY N . 53818 1 985 . 1 . 1 76 76 LEU H H 1 7.906 . . 1 . . . . . 135 LEU HN . 53818 1 986 . 1 . 1 76 76 LEU HA H 1 4.236 . . 1 . . . . . 135 LEU HA . 53818 1 987 . 1 . 1 76 76 LEU HB2 H 1 1.604 . . 2 . . . . . 135 LEU HB2 . 53818 1 988 . 1 . 1 76 76 LEU HB3 H 1 1.526 . . 2 . . . . . 135 LEU HB3 . 53818 1 989 . 1 . 1 76 76 LEU HG H 1 1.593 . . 1 . . . . . 135 LEU HG . 53818 1 990 . 1 . 1 76 76 LEU HD11 H 1 0.840 . . 2 . . . . . 135 LEU HD11 . 53818 1 991 . 1 . 1 76 76 LEU HD12 H 1 0.840 . . 2 . . . . . 135 LEU HD11 . 53818 1 992 . 1 . 1 76 76 LEU HD13 H 1 0.840 . . 2 . . . . . 135 LEU HD11 . 53818 1 993 . 1 . 1 76 76 LEU HD21 H 1 0.776 . . 2 . . . . . 135 LEU HD21 . 53818 1 994 . 1 . 1 76 76 LEU HD22 H 1 0.776 . . 2 . . . . . 135 LEU HD21 . 53818 1 995 . 1 . 1 76 76 LEU HD23 H 1 0.776 . . 2 . . . . . 135 LEU HD21 . 53818 1 996 . 1 . 1 76 76 LEU C C 13 177.745 . . 1 . . . . . 135 LEU C . 53818 1 997 . 1 . 1 76 76 LEU CA C 13 55.690 . . 1 . . . . . 135 LEU CA . 53818 1 998 . 1 . 1 76 76 LEU CB C 13 42.397 . . 1 . . . . . 135 LEU CB . 53818 1 999 . 1 . 1 76 76 LEU CG C 13 26.912 . . 1 . . . . . 135 LEU CG . 53818 1 1000 . 1 . 1 76 76 LEU CD1 C 13 24.909 . . 1 . . . . . 135 LEU CD1 . 53818 1 1001 . 1 . 1 76 76 LEU CD2 C 13 23.335 . . 1 . . . . . 135 LEU CD2 . 53818 1 1002 . 1 . 1 76 76 LEU N N 15 120.799 . . 1 . . . . . 135 LEU N . 53818 1 1003 . 1 . 1 77 77 GLU H H 1 8.327 . . 1 . . . . . 136 GLU HN . 53818 1 1004 . 1 . 1 77 77 GLU HA H 1 4.178 . . 1 . . . . . 136 GLU HA . 53818 1 1005 . 1 . 1 77 77 GLU HB2 H 1 1.851 . . 2 . . . . . 136 GLU HB2 . 53818 1 1006 . 1 . 1 77 77 GLU HB3 H 1 1.910 . . 2 . . . . . 136 GLU HB3 . 53818 1 1007 . 1 . 1 77 77 GLU HG2 H 1 2.094 . . 2 . . . . . 136 GLU HG2 . 53818 1 1008 . 1 . 1 77 77 GLU HG3 H 1 2.189 . . 2 . . . . . 136 GLU HG3 . 53818 1 1009 . 1 . 1 77 77 GLU CA C 13 56.881 . . 1 . . . . . 136 GLU CA . 53818 1 1010 . 1 . 1 77 77 GLU CB C 13 30.067 . . 1 . . . . . 136 GLU CB . 53818 1 1011 . 1 . 1 77 77 GLU CG C 13 36.164 . . 1 . . . . . 136 GLU CG . 53818 1 1012 . 1 . 1 77 77 GLU N N 15 119.981 . . 1 . . . . . 136 GLU N . 53818 1 1013 . 1 . 1 78 78 HIS HD2 H 1 7.037 . . 1 . . . . . 137 HIS HD2 . 53818 1 1014 . 1 . 1 78 78 HIS HE1 H 1 8.138 . . 1 . . . . . 137 HIS HE1 . 53818 1 1015 . 1 . 1 78 78 HIS ND1 N 15 194.872 . . 1 . . . . . 137 HIS ND1 . 53818 1 1016 . 1 . 1 78 78 HIS NE2 N 15 180.907 . . 1 . . . . . 137 HIS NE2 . 53818 1 1017 . 1 . 1 82 82 HIS H H 1 7.995 . . 1 . . . . . 141 HIS HN . 53818 1 1018 . 1 . 1 82 82 HIS HA H 1 4.559 . . 1 . . . . . 141 HIS HA . 53818 1 1019 . 1 . 1 82 82 HIS HB2 H 1 3.009 . . 2 . . . . . 141 HIS HB2 . 53818 1 1020 . 1 . 1 82 82 HIS HB3 H 1 3.009 . . 2 . . . . . 141 HIS HB3 . 53818 1 1021 . 1 . 1 82 82 HIS HD2 H 1 6.918 . . 1 . . . . . 141 HIS HD2 . 53818 1 1022 . 1 . 1 82 82 HIS C C 13 173.969 . . 1 . . . . . 142 HIS C . 53818 1 1023 . 1 . 1 82 82 HIS CA C 13 56.135 . . 1 . . . . . 141 HIS CA . 53818 1 1024 . 1 . 1 82 82 HIS CB C 13 30.450 . . 1 . . . . . 141 HIS CB . 53818 1 1025 . 1 . 1 82 82 HIS CD2 C 13 119.622 . . 1 . . . . . 141 HIS CD2 . 53818 1 1026 . 1 . 1 82 82 HIS N N 15 125.441 . . 1 . . . . . 141 HIS N . 53818 1 1027 . 1 . 1 82 82 HIS NE2 N 15 178.356 . . 1 . . . . . 141 HIS NE2 . 53818 1 1028 . 1 . 1 83 83 HIS H H 1 7.953 . . 1 . . . . . 142 HIS HN . 53818 1 1029 . 1 . 1 83 83 HIS HA H 1 4.387 . . 1 . . . . . 142 HIS HA . 53818 1 1030 . 1 . 1 83 83 HIS HB2 H 1 3.030 . . 2 . . . . . 142 HIS HB2 . 53818 1 1031 . 1 . 1 83 83 HIS HB3 H 1 3.161 . . 2 . . . . . 142 HIS HB3 . 53818 1 1032 . 1 . 1 83 83 HIS HD2 H 1 7.012 . . 1 . . . . . 142 HIS HD2 . 53818 1 1033 . 1 . 1 83 83 HIS HE1 H 1 8.011 . . 1 . . . . . 142 HIS HE1 . 53818 1 1034 . 1 . 1 83 83 HIS CA C 13 57.408 . . 1 . . . . . 142 HIS CA . 53818 1 1035 . 1 . 1 83 83 HIS CB C 13 30.593 . . 1 . . . . . 142 HIS CB . 53818 1 1036 . 1 . 1 83 83 HIS CD2 C 13 120.174 . . 1 . . . . . 142 HIS CD2 . 53818 1 1037 . 1 . 1 83 83 HIS CE1 C 13 136.858 . . 1 . . . . . 142 HIS CE1 . 53818 1 1038 . 1 . 1 83 83 HIS N N 15 125.418 . . 1 . . . . . 142 HIS N . 53818 1 1039 . 1 . 1 83 83 HIS ND1 N 15 205.001 . . 1 . . . . . 142 HIS ND1 . 53818 1 1040 . 1 . 1 83 83 HIS NE2 N 15 180.269 . . 1 . . . . . 142 HIS NE2 . 53818 1 1041 . 2 . 2 1 1 DC H1' H 1 5.773 . . 1 . . . . . 1 DC H1' . 53818 1 1042 . 2 . 2 1 1 DC H2' H 1 1.933 . . 1 . . . . . 1 DC H2' . 53818 1 1043 . 2 . 2 1 1 DC H2'' H 1 2.381 . . 1 . . . . . 1 DC H2'' . 53818 1 1044 . 2 . 2 1 1 DC H3' H 1 4.688 . . 1 . . . . . 1 DC H3' . 53818 1 1045 . 2 . 2 1 1 DC H4' H 1 4.052 . . 1 . . . . . 1 DC H4' . 53818 1 1046 . 2 . 2 1 1 DC H5 H 1 5.902 . . 2 . . . . . 1 DC H5 . 53818 1 1047 . 2 . 2 1 1 DC H5' H 1 3.727 . . 1 . . . . . 1 DC H5' . 53818 1 1048 . 2 . 2 1 1 DC H5'' H 1 3.710 . . 1 . . . . . 1 DC H5'' . 53818 1 1049 . 2 . 2 1 1 DC H6 H 1 7.611 . . 2 . . . . . 1 DC H6 . 53818 1 1050 . 2 . 2 1 1 DC C1' C 13 88.298 . . 1 . . . . . 1 DC C1' . 53818 1 1051 . 2 . 2 1 1 DC C2' C 13 40.021 . . 1 . . . . . 1 DC C2' . 53818 1 1052 . 2 . 2 1 1 DC C4' C 13 88.298 . . 1 . . . . . 1 DC C4' . 53818 1 1053 . 2 . 2 1 1 DC C5 C 13 99.734 . . 1 . . . . . 1 DC C5 . 53818 1 1054 . 2 . 2 1 1 DC C5' C 13 63.971 . . 1 . . . . . 1 DC C5' . 53818 1 1055 . 2 . 2 2 2 DG H1 H 1 13.000 . . 2 . . . . . 2 DG H1 . 53818 1 1056 . 2 . 2 2 2 DG H1' H 1 5.861 . . 1 . . . . . 2 DG H1' . 53818 1 1057 . 2 . 2 2 2 DG H2' H 1 2.622 . . 1 . . . . . 2 DG H2' . 53818 1 1058 . 2 . 2 2 2 DG H2'' H 1 2.698 . . 1 . . . . . 2 DG H2'' . 53818 1 1059 . 2 . 2 2 2 DG H3' H 1 4.949 . . 1 . . . . . 2 DG H3' . 53818 1 1060 . 2 . 2 2 2 DG H4' H 1 4.321 . . 1 . . . . . 2 DG H4' . 53818 1 1061 . 2 . 2 2 2 DG H5' H 1 4.073 . . 1 . . . . . 2 DG H5' . 53818 1 1062 . 2 . 2 2 2 DG H5'' H 1 3.964 . . 1 . . . . . 2 DG H5'' . 53818 1 1063 . 2 . 2 2 2 DG H8 H 1 7.918 . . 2 . . . . . 2 DG H8 . 53818 1 1064 . 2 . 2 2 2 DG C1' C 13 84.612 . . 1 . . . . . 2 DG C1' . 53818 1 1065 . 2 . 2 2 2 DG C2' C 13 39.770 . . 1 . . . . . 2 DG C2' . 53818 1 1066 . 2 . 2 2 2 DG C3' C 13 79.914 . . 1 . . . . . 2 DG C3' . 53818 1 1067 . 2 . 2 2 2 DG C4' C 13 87.411 . . 1 . . . . . 2 DG C4' . 53818 1 1068 . 2 . 2 2 2 DG C5' C 13 68.347 . . 1 . . . . . 2 DG C5' . 53818 1 1069 . 2 . 2 3 3 DC H1' H 1 5.426 . . 1 . . . . . 3 DC H1' . 53818 1 1070 . 2 . 2 3 3 DC H2' H 1 1.828 . . 1 . . . . . 3 DC H2' . 53818 1 1071 . 2 . 2 3 3 DC H2'' H 1 2.204 . . 1 . . . . . 3 DC H2'' . 53818 1 1072 . 2 . 2 3 3 DC H3' H 1 4.776 . . 1 . . . . . 3 DC H3' . 53818 1 1073 . 2 . 2 3 3 DC H4' H 1 4.095 . . 1 . . . . . 3 DC H4' . 53818 1 1074 . 2 . 2 3 3 DC H5 H 1 5.417 . . 2 . . . . . 3 DC H5 . 53818 1 1075 . 2 . 2 3 3 DC H5' H 1 4.095 . . 1 . . . . . 3 DC H5' . 53818 1 1076 . 2 . 2 3 3 DC H5'' H 1 4.151 . . 1 . . . . . 3 DC H5'' . 53818 1 1077 . 2 . 2 3 3 DC H6 H 1 7.288 . . 2 . . . . . 3 DC H6 . 53818 1 1078 . 2 . 2 3 3 DC H41 H 1 8.373 . . 2 . . . . . 3 DC H41 . 53818 1 1079 . 2 . 2 3 3 DC H42 H 1 6.302 . . 2 . . . . . 3 DC H42 . 53818 1 1080 . 2 . 2 3 3 DC C1' C 13 86.139 . . 1 . . . . . 3 DC C1' . 53818 1 1081 . 2 . 2 3 3 DC C2' C 13 39.578 . . 1 . . . . . 3 DC C2' . 53818 1 1082 . 2 . 2 3 3 DC C3' C 13 76.859 . . 1 . . . . . 3 DC C3' . 53818 1 1083 . 2 . 2 3 3 DC C4' C 13 85.631 . . 1 . . . . . 3 DC C4' . 53818 1 1084 . 2 . 2 3 3 DC C5 C 13 98.592 . . 1 . . . . . 3 DC C5 . 53818 1 1085 . 2 . 2 3 3 DC C5' C 13 67.424 . . 1 . . . . . 3 DC C5' . 53818 1 1086 . 2 . 2 4 4 DA H1' H 1 5.803 . . 1 . . . . . 4 DA H1' . 53818 1 1087 . 2 . 2 4 4 DA H2 H 1 7.192 . . 2 . . . . . 4 DA H2 . 53818 1 1088 . 2 . 2 4 4 DA H2' H 1 2.712 . . 1 . . . . . 4 DA H2' . 53818 1 1089 . 2 . 2 4 4 DA H2'' H 1 2.858 . . 1 . . . . . 4 DA H2'' . 53818 1 1090 . 2 . 2 4 4 DA H3' H 1 5.029 . . 1 . . . . . 4 DA H3' . 53818 1 1091 . 2 . 2 4 4 DA H4' H 1 4.358 . . 1 . . . . . 4 DA H4' . 53818 1 1092 . 2 . 2 4 4 DA H5' H 1 4.094 . . 1 . . . . . 4 DA H5' . 53818 1 1093 . 2 . 2 4 4 DA H5'' H 1 3.986 . . 1 . . . . . 4 DA H5'' . 53818 1 1094 . 2 . 2 4 4 DA H8 H 1 8.178 . . 2 . . . . . 4 DA H8 . 53818 1 1095 . 2 . 2 4 4 DA C1' C 13 84.553 . . 1 . . . . . 4 DA C1' . 53818 1 1096 . 2 . 2 4 4 DA C2' C 13 40.276 . . 1 . . . . . 4 DA C2' . 53818 1 1097 . 2 . 2 4 4 DA C3' C 13 79.906 . . 1 . . . . . 4 DA C3' . 53818 1 1098 . 2 . 2 4 4 DA C4' C 13 87.666 . . 1 . . . . . 4 DA C4' . 53818 1 1099 . 2 . 2 4 4 DA C5' C 13 68.231 . . 1 . . . . . 4 DA C5' . 53818 1 1100 . 2 . 2 5 5 DA H1' H 1 5.881 . . 1 . . . . . 5 DA H1' . 53818 1 1101 . 2 . 2 5 5 DA H2 H 1 7.045 . . 2 . . . . . 5 DA H2 . 53818 1 1102 . 2 . 2 5 5 DA H2' H 1 2.630 . . 1 . . . . . 5 DA H2' . 53818 1 1103 . 2 . 2 5 5 DA H2'' H 1 2.868 . . 1 . . . . . 5 DA H2'' . 53818 1 1104 . 2 . 2 5 5 DA H3' H 1 5.039 . . 1 . . . . . 5 DA H3' . 53818 1 1105 . 2 . 2 5 5 DA H4' H 1 4.433 . . 1 . . . . . 5 DA H4' . 53818 1 1106 . 2 . 2 5 5 DA H5' H 1 4.206 . . 1 . . . . . 5 DA H5' . 53818 1 1107 . 2 . 2 5 5 DA H5'' H 1 4.206 . . 1 . . . . . 5 DA H5'' . 53818 1 1108 . 2 . 2 5 5 DA H8 H 1 8.077 . . 2 . . . . . 5 DA H8 . 53818 1 1109 . 2 . 2 5 5 DA C1' C 13 84.114 . . 1 . . . . . 5 DA C1' . 53818 1 1110 . 2 . 2 5 5 DA C2' C 13 41.167 . . 1 . . . . . 5 DA C2' . 53818 1 1111 . 2 . 2 5 5 DA C3' C 13 79.019 . . 1 . . . . . 5 DA C3' . 53818 1 1112 . 2 . 2 5 5 DA C4' C 13 87.156 . . 1 . . . . . 5 DA C4' . 53818 1 1113 . 2 . 2 5 5 DA C5' C 13 68.225 . . 1 . . . . . 5 DA C5' . 53818 1 1114 . 2 . 2 6 6 DA H1' H 1 6.115 . . 1 . . . . . 6 DA H1' . 53818 1 1115 . 2 . 2 6 6 DA H2 H 1 7.550 . . 2 . . . . . 6 DA H2 . 53818 1 1116 . 2 . 2 6 6 DA H2' H 1 2.526 . . 1 . . . . . 6 DA H2' . 53818 1 1117 . 2 . 2 6 6 DA H2'' H 1 2.904 . . 1 . . . . . 6 DA H2'' . 53818 1 1118 . 2 . 2 6 6 DA H3' H 1 4.973 . . 1 . . . . . 6 DA H3' . 53818 1 1119 . 2 . 2 6 6 DA H4' H 1 4.443 . . 1 . . . . . 6 DA H4' . 53818 1 1120 . 2 . 2 6 6 DA H5' H 1 4.266 . . 1 . . . . . 6 DA H5' . 53818 1 1121 . 2 . 2 6 6 DA H5'' H 1 4.238 . . 1 . . . . . 6 DA H5'' . 53818 1 1122 . 2 . 2 6 6 DA H8 H 1 8.054 . . 2 . . . . . 6 DA H8 . 53818 1 1123 . 2 . 2 6 6 DA C1' C 13 84.864 . . 1 . . . . . 6 DA C1' . 53818 1 1124 . 2 . 2 6 6 DA C2' C 13 41.681 . . 1 . . . . . 6 DA C2' . 53818 1 1125 . 2 . 2 6 6 DA C3' C 13 78.907 . . 1 . . . . . 6 DA C3' . 53818 1 1126 . 2 . 2 6 6 DA C4' C 13 87.156 . . 1 . . . . . 6 DA C4' . 53818 1 1127 . 2 . 2 6 6 DA C5' C 13 68.225 . . 1 . . . . . 6 DA C5' . 53818 1 1128 . 2 . 2 7 7 DT H1' H 1 5.890 . . 1 . . . . . 7 DT H1' . 53818 1 1129 . 2 . 2 7 7 DT H2' H 1 1.998 . . 1 . . . . . 7 DT H2' . 53818 1 1130 . 2 . 2 7 7 DT H2'' H 1 2.560 . . 1 . . . . . 7 DT H2'' . 53818 1 1131 . 2 . 2 7 7 DT H3 H 1 13.566 . . 2 . . . . . 7 DT H3 . 53818 1 1132 . 2 . 2 7 7 DT H3' H 1 4.830 . . 1 . . . . . 7 DT H3' . 53818 1 1133 . 2 . 2 7 7 DT H4' H 1 4.199 . . 1 . . . . . 7 DT H4' . 53818 1 1134 . 2 . 2 7 7 DT H5' H 1 4.297 . . 1 . . . . . 7 DT H5' . 53818 1 1135 . 2 . 2 7 7 DT H5'' H 1 4.147 . . 1 . . . . . 7 DT H5'' . 53818 1 1136 . 2 . 2 7 7 DT H6 H 1 7.068 . . 2 . . . . . 7 DT H6 . 53818 1 1137 . 2 . 2 7 7 DT H71 H 1 1.246 . . 1 . . . . . 7 DT H71 . 53818 1 1138 . 2 . 2 7 7 DT H72 H 1 1.246 . . 1 . . . . . 7 DT H72 . 53818 1 1139 . 2 . 2 7 7 DT H73 H 1 1.246 . . 1 . . . . . 7 DT H73 . 53818 1 1140 . 2 . 2 7 7 DT C1' C 13 85.122 . . 1 . . . . . 7 DT C1' . 53818 1 1141 . 2 . 2 7 7 DT C2' C 13 39.258 . . 1 . . . . . 7 DT C2' . 53818 1 1142 . 2 . 2 7 7 DT C3' C 13 77.370 . . 1 . . . . . 7 DT C3' . 53818 1 1143 . 2 . 2 7 7 DT C4' C 13 85.409 . . 1 . . . . . 7 DT C4' . 53818 1 1144 . 2 . 2 7 7 DT C5' C 13 66.708 . . 1 . . . . . 7 DT C5' . 53818 1 1145 . 2 . 2 7 7 DT C7 C 13 13.893 . . 1 . . . . . 7 DT C7 . 53818 1 1146 . 2 . 2 8 8 DT H1' H 1 6.095 . . 1 . . . . . 8 DT H1' . 53818 1 1147 . 2 . 2 8 8 DT H2' H 1 2.155 . . 1 . . . . . 8 DT H2' . 53818 1 1148 . 2 . 2 8 8 DT H2'' H 1 2.605 . . 1 . . . . . 8 DT H2'' . 53818 1 1149 . 2 . 2 8 8 DT H3 H 1 13.810 . . 2 . . . . . 8 DT H3 . 53818 1 1150 . 2 . 2 8 8 DT H3' H 1 4.890 . . 1 . . . . . 8 DT H3' . 53818 1 1151 . 2 . 2 8 8 DT H4' H 1 4.198 . . 1 . . . . . 8 DT H4' . 53818 1 1152 . 2 . 2 8 8 DT H5' H 1 4.197 . . 1 . . . . . 8 DT H5' . 53818 1 1153 . 2 . 2 8 8 DT H5'' H 1 4.113 . . 1 . . . . . 8 DT H5'' . 53818 1 1154 . 2 . 2 8 8 DT H6 H 1 7.386 . . 2 . . . . . 8 DT H6 . 53818 1 1155 . 2 . 2 8 8 DT H71 H 1 1.530 . . 1 . . . . . 8 DT H71 . 53818 1 1156 . 2 . 2 8 8 DT H72 H 1 1.530 . . 1 . . . . . 8 DT H72 . 53818 1 1157 . 2 . 2 8 8 DT H73 H 1 1.530 . . 1 . . . . . 8 DT H73 . 53818 1 1158 . 2 . 2 8 8 DT C1' C 13 85.501 . . 1 . . . . . 8 DT C1' . 53818 1 1159 . 2 . 2 8 8 DT C2' C 13 39.002 . . 1 . . . . . 8 DT C2' . 53818 1 1160 . 2 . 2 8 8 DT C3' C 13 78.516 . . 1 . . . . . 8 DT C3' . 53818 1 1161 . 2 . 2 8 8 DT C4' C 13 85.896 . . 1 . . . . . 8 DT C4' . 53818 1 1162 . 2 . 2 8 8 DT C5' C 13 66.832 . . 1 . . . . . 8 DT C5' . 53818 1 1163 . 2 . 2 8 8 DT C7 C 13 14.363 . . 1 . . . . . 8 DT C7 . 53818 1 1164 . 2 . 2 9 9 DT H1' H 1 5.851 . . 1 . . . . . 9 DT H1' . 53818 1 1165 . 2 . 2 9 9 DT H2' H 1 2.056 . . 1 . . . . . 9 DT H2' . 53818 1 1166 . 2 . 2 9 9 DT H2'' H 1 2.441 . . 1 . . . . . 9 DT H2'' . 53818 1 1167 . 2 . 2 9 9 DT H3 H 1 13.680 . . 2 . . . . . 9 DT H3 . 53818 1 1168 . 2 . 2 9 9 DT H3' H 1 4.900 . . 1 . . . . . 9 DT H3' . 53818 1 1169 . 2 . 2 9 9 DT H4' H 1 4.134 . . 1 . . . . . 9 DT H4' . 53818 1 1170 . 2 . 2 9 9 DT H5' H 1 4.198 . . 1 . . . . . 9 DT H5' . 53818 1 1171 . 2 . 2 9 9 DT H5'' H 1 4.104 . . 1 . . . . . 9 DT H5'' . 53818 1 1172 . 2 . 2 9 9 DT H6 H 1 7.268 . . 2 . . . . . 9 DT H6 . 53818 1 1173 . 2 . 2 9 9 DT H71 H 1 1.662 . . 1 . . . . . 9 DT H71 . 53818 1 1174 . 2 . 2 9 9 DT H72 H 1 1.662 . . 1 . . . . . 9 DT H72 . 53818 1 1175 . 2 . 2 9 9 DT H73 H 1 1.662 . . 1 . . . . . 9 DT H73 . 53818 1 1176 . 2 . 2 9 9 DT C1' C 13 85.124 . . 1 . . . . . 9 DT C1' . 53818 1 1177 . 2 . 2 9 9 DT C2' C 13 39.256 . . 1 . . . . . 9 DT C2' . 53818 1 1178 . 2 . 2 9 9 DT C3' C 13 77.249 . . 1 . . . . . 9 DT C3' . 53818 1 1179 . 2 . 2 9 9 DT C4' C 13 85.384 . . 1 . . . . . 9 DT C4' . 53818 1 1180 . 2 . 2 9 9 DT C5' C 13 66.704 . . 1 . . . . . 9 DT C5' . 53818 1 1181 . 2 . 2 9 9 DT C7 C 13 14.672 . . 1 . . . . . 9 DT C7 . 53818 1 1182 . 2 . 2 10 10 DG H1 H 1 12.653 . . 2 . . . . . 10 DG H1 . 53818 1 1183 . 2 . 2 10 10 DG H1' H 1 5.807 . . 1 . . . . . 10 DG H1' . 53818 1 1184 . 2 . 2 10 10 DG H2' H 1 2.633 . . 1 . . . . . 10 DG H2' . 53818 1 1185 . 2 . 2 10 10 DG H2'' H 1 2.664 . . 1 . . . . . 10 DG H2'' . 53818 1 1186 . 2 . 2 10 10 DG H3' H 1 4.981 . . 1 . . . . . 10 DG H3' . 53818 1 1187 . 2 . 2 10 10 DG H4' H 1 4.357 . . 1 . . . . . 10 DG H4' . 53818 1 1188 . 2 . 2 10 10 DG H5' H 1 4.140 . . 1 . . . . . 10 DG H5' . 53818 1 1189 . 2 . 2 10 10 DG H5'' H 1 4.090 . . 1 . . . . . 10 DG H5'' . 53818 1 1190 . 2 . 2 10 10 DG H8 H 1 7.894 . . 2 . . . . . 10 DG H8 . 53818 1 1191 . 2 . 2 10 10 DG C1' C 13 84.241 . . 1 . . . . . 10 DG C1' . 53818 1 1192 . 2 . 2 10 10 DG C2' C 13 40.276 . . 1 . . . . . 10 DG C2' . 53818 1 1193 . 2 . 2 10 10 DG C3' C 13 79.150 . . 1 . . . . . 10 DG C3' . 53818 1 1194 . 2 . 2 10 10 DG C4' C 13 87.154 . . 1 . . . . . 10 DG C4' . 53818 1 1195 . 2 . 2 10 10 DG C5' C 13 68.104 . . 1 . . . . . 10 DG C5' . 53818 1 1196 . 2 . 2 11 11 DC H1' H 1 5.792 . . 1 . . . . . 11 DC H1' . 53818 1 1197 . 2 . 2 11 11 DC H2' H 1 1.874 . . 1 . . . . . 11 DC H2' . 53818 1 1198 . 2 . 2 11 11 DC H2'' H 1 2.320 . . 1 . . . . . 11 DC H2'' . 53818 1 1199 . 2 . 2 11 11 DC H3' H 1 4.788 . . 1 . . . . . 11 DC H3' . 53818 1 1200 . 2 . 2 11 11 DC H4' H 1 4.144 . . 1 . . . . . 11 DC H4' . 53818 1 1201 . 2 . 2 11 11 DC H5 H 1 5.414 . . 2 . . . . . 11 DC H5 . 53818 1 1202 . 2 . 2 11 11 DC H5' H 1 4.205 . . 1 . . . . . 11 DC H5' . 53818 1 1203 . 2 . 2 11 11 DC H5'' H 1 4.105 . . 1 . . . . . 11 DC H5'' . 53818 1 1204 . 2 . 2 11 11 DC H6 H 1 7.327 . . 2 . . . . . 11 DC H6 . 53818 1 1205 . 2 . 2 11 11 DC H41 H 1 8.403 . . 2 . . . . . 11 DC H41 . 53818 1 1206 . 2 . 2 11 11 DC H42 H 1 6.496 . . 2 . . . . . 11 DC H42 . 53818 1 1207 . 2 . 2 11 11 DC C1' C 13 86.521 . . 1 . . . . . 11 DC C1' . 53818 1 1208 . 2 . 2 11 11 DC C2' C 13 39.893 . . 1 . . . . . 11 DC C2' . 53818 1 1209 . 2 . 2 11 11 DC C3' C 13 76.752 . . 1 . . . . . 11 DC C3' . 53818 1 1210 . 2 . 2 11 11 DC C4' C 13 85.722 . . 1 . . . . . 11 DC C4' . 53818 1 1211 . 2 . 2 11 11 DC C5 C 13 98.593 . . 1 . . . . . 11 DC C5 . 53818 1 1212 . 2 . 2 11 11 DC C5' C 13 67.331 . . 1 . . . . . 11 DC C5' . 53818 1 1213 . 2 . 2 12 12 DG H1 H 1 13.000 . . 2 . . . . . 12 DG H1 . 53818 1 1214 . 2 . 2 12 12 DG H1' H 1 6.137 . . 1 . . . . . 12 DG H1' . 53818 1 1215 . 2 . 2 12 12 DG H2' H 1 2.363 . . 1 . . . . . 12 DG H2' . 53818 1 1216 . 2 . 2 12 12 DG H2'' H 1 2.595 . . 1 . . . . . 12 DG H2'' . 53818 1 1217 . 2 . 2 12 12 DG H3' H 1 4.665 . . 1 . . . . . 12 DG H3' . 53818 1 1218 . 2 . 2 12 12 DG H4' H 1 4.146 . . 1 . . . . . 12 DG H4' . 53818 1 1219 . 2 . 2 12 12 DG H5' H 1 4.063 . . 1 . . . . . 12 DG H5' . 53818 1 1220 . 2 . 2 12 12 DG H5'' H 1 4.063 . . 1 . . . . . 12 DG H5'' . 53818 1 1221 . 2 . 2 12 12 DG H8 H 1 7.924 . . 2 . . . . . 12 DG H8 . 53818 1 1222 . 2 . 2 12 12 DG C1' C 13 84.870 . . 1 . . . . . 12 DG C1' . 53818 1 1223 . 2 . 2 12 12 DG C2' C 13 41.931 . . 1 . . . . . 12 DG C2' . 53818 1 1224 . 2 . 2 12 12 DG C4' C 13 87.921 . . 1 . . . . . 12 DG C4' . 53818 1 1225 . 2 . 2 12 12 DG C5' C 13 67.593 . . 1 . . . . . 12 DG C5' . 53818 1 1226 . 3 . 2 1 1 DC H1' H 1 5.773 . . 1 . . . . . 13 DC H1' . 53818 1 1227 . 3 . 2 1 1 DC H2' H 1 1.933 . . 1 . . . . . 13 DC H2' . 53818 1 1228 . 3 . 2 1 1 DC H2'' H 1 2.381 . . 1 . . . . . 13 DC H2'' . 53818 1 1229 . 3 . 2 1 1 DC H3' H 1 4.688 . . 1 . . . . . 13 DC H3' . 53818 1 1230 . 3 . 2 1 1 DC H4' H 1 4.052 . . 1 . . . . . 13 DC H4' . 53818 1 1231 . 3 . 2 1 1 DC H5 H 1 5.902 . . 2 . . . . . 13 DC H5 . 53818 1 1232 . 3 . 2 1 1 DC H5' H 1 3.727 . . 1 . . . . . 13 DC H5' . 53818 1 1233 . 3 . 2 1 1 DC H5'' H 1 3.710 . . 1 . . . . . 13 DC H5'' . 53818 1 1234 . 3 . 2 1 1 DC H6 H 1 7.611 . . 2 . . . . . 13 DC H6 . 53818 1 1235 . 3 . 2 1 1 DC C1' C 13 88.298 . . 1 . . . . . 13 DC C1' . 53818 1 1236 . 3 . 2 1 1 DC C2' C 13 40.021 . . 1 . . . . . 13 DC C2' . 53818 1 1237 . 3 . 2 1 1 DC C4' C 13 88.298 . . 1 . . . . . 13 DC C4' . 53818 1 1238 . 3 . 2 1 1 DC C5 C 13 99.734 . . 1 . . . . . 13 DC C5 . 53818 1 1239 . 3 . 2 1 1 DC C5' C 13 63.971 . . 1 . . . . . 13 DC C5' . 53818 1 1240 . 3 . 2 2 2 DG H1 H 1 13.000 . . 2 . . . . . 14 DG H1 . 53818 1 1241 . 3 . 2 2 2 DG H1' H 1 5.861 . . 1 . . . . . 14 DG H1' . 53818 1 1242 . 3 . 2 2 2 DG H2' H 1 2.622 . . 1 . . . . . 14 DG H2' . 53818 1 1243 . 3 . 2 2 2 DG H2'' H 1 2.698 . . 1 . . . . . 14 DG H2'' . 53818 1 1244 . 3 . 2 2 2 DG H3' H 1 4.949 . . 1 . . . . . 14 DG H3' . 53818 1 1245 . 3 . 2 2 2 DG H4' H 1 4.321 . . 1 . . . . . 14 DG H4' . 53818 1 1246 . 3 . 2 2 2 DG H5' H 1 4.073 . . 1 . . . . . 14 DG H5' . 53818 1 1247 . 3 . 2 2 2 DG H5'' H 1 3.964 . . 1 . . . . . 14 DG H5'' . 53818 1 1248 . 3 . 2 2 2 DG H8 H 1 7.918 . . 2 . . . . . 14 DG H8 . 53818 1 1249 . 3 . 2 2 2 DG C1' C 13 84.612 . . 1 . . . . . 14 DG C1' . 53818 1 1250 . 3 . 2 2 2 DG C2' C 13 39.770 . . 1 . . . . . 14 DG C2' . 53818 1 1251 . 3 . 2 2 2 DG C3' C 13 79.914 . . 1 . . . . . 14 DG C3' . 53818 1 1252 . 3 . 2 2 2 DG C4' C 13 87.411 . . 1 . . . . . 14 DG C4' . 53818 1 1253 . 3 . 2 2 2 DG C5' C 13 68.347 . . 1 . . . . . 14 DG C5' . 53818 1 1254 . 3 . 2 3 3 DC H1' H 1 5.426 . . 1 . . . . . 15 DC H1' . 53818 1 1255 . 3 . 2 3 3 DC H2' H 1 1.828 . . 1 . . . . . 15 DC H2' . 53818 1 1256 . 3 . 2 3 3 DC H2'' H 1 2.204 . . 1 . . . . . 15 DC H2'' . 53818 1 1257 . 3 . 2 3 3 DC H3' H 1 4.776 . . 1 . . . . . 15 DC H3' . 53818 1 1258 . 3 . 2 3 3 DC H4' H 1 4.095 . . 1 . . . . . 15 DC H4' . 53818 1 1259 . 3 . 2 3 3 DC H5 H 1 5.417 . . 2 . . . . . 15 DC H5 . 53818 1 1260 . 3 . 2 3 3 DC H5' H 1 4.095 . . 1 . . . . . 15 DC H5' . 53818 1 1261 . 3 . 2 3 3 DC H5'' H 1 4.151 . . 1 . . . . . 15 DC H5'' . 53818 1 1262 . 3 . 2 3 3 DC H6 H 1 7.288 . . 2 . . . . . 15 DC H6 . 53818 1 1263 . 3 . 2 3 3 DC H41 H 1 8.373 . . 2 . . . . . 15 DC H41 . 53818 1 1264 . 3 . 2 3 3 DC H42 H 1 6.302 . . 2 . . . . . 15 DC H42 . 53818 1 1265 . 3 . 2 3 3 DC C1' C 13 86.139 . . 1 . . . . . 15 DC C1' . 53818 1 1266 . 3 . 2 3 3 DC C2' C 13 39.578 . . 1 . . . . . 15 DC C2' . 53818 1 1267 . 3 . 2 3 3 DC C3' C 13 76.859 . . 1 . . . . . 15 DC C3' . 53818 1 1268 . 3 . 2 3 3 DC C4' C 13 85.631 . . 1 . . . . . 15 DC C4' . 53818 1 1269 . 3 . 2 3 3 DC C5 C 13 98.592 . . 1 . . . . . 15 DC C5 . 53818 1 1270 . 3 . 2 3 3 DC C5' C 13 67.424 . . 1 . . . . . 15 DC C5' . 53818 1 1271 . 3 . 2 4 4 DA H1' H 1 5.803 . . 1 . . . . . 16 DA H1' . 53818 1 1272 . 3 . 2 4 4 DA H2 H 1 7.192 . . 2 . . . . . 16 DA H2 . 53818 1 1273 . 3 . 2 4 4 DA H2' H 1 2.712 . . 1 . . . . . 16 DA H2' . 53818 1 1274 . 3 . 2 4 4 DA H2'' H 1 2.858 . . 1 . . . . . 16 DA H2'' . 53818 1 1275 . 3 . 2 4 4 DA H3' H 1 5.029 . . 1 . . . . . 16 DA H3' . 53818 1 1276 . 3 . 2 4 4 DA H4' H 1 4.358 . . 1 . . . . . 16 DA H4' . 53818 1 1277 . 3 . 2 4 4 DA H5' H 1 4.094 . . 1 . . . . . 16 DA H5' . 53818 1 1278 . 3 . 2 4 4 DA H5'' H 1 3.986 . . 1 . . . . . 16 DA H5'' . 53818 1 1279 . 3 . 2 4 4 DA H8 H 1 8.178 . . 2 . . . . . 16 DA H8 . 53818 1 1280 . 3 . 2 4 4 DA C1' C 13 84.553 . . 1 . . . . . 16 DA C1' . 53818 1 1281 . 3 . 2 4 4 DA C2' C 13 40.276 . . 1 . . . . . 16 DA C2' . 53818 1 1282 . 3 . 2 4 4 DA C3' C 13 79.906 . . 1 . . . . . 16 DA C3' . 53818 1 1283 . 3 . 2 4 4 DA C4' C 13 87.666 . . 1 . . . . . 16 DA C4' . 53818 1 1284 . 3 . 2 4 4 DA C5' C 13 68.231 . . 1 . . . . . 16 DA C5' . 53818 1 1285 . 3 . 2 5 5 DA H1' H 1 5.881 . . 1 . . . . . 17 DA H1' . 53818 1 1286 . 3 . 2 5 5 DA H2 H 1 7.045 . . 2 . . . . . 17 DA H2 . 53818 1 1287 . 3 . 2 5 5 DA H2' H 1 2.630 . . 1 . . . . . 17 DA H2' . 53818 1 1288 . 3 . 2 5 5 DA H2'' H 1 2.868 . . 1 . . . . . 17 DA H2'' . 53818 1 1289 . 3 . 2 5 5 DA H3' H 1 5.039 . . 1 . . . . . 17 DA H3' . 53818 1 1290 . 3 . 2 5 5 DA H4' H 1 4.433 . . 1 . . . . . 17 DA H4' . 53818 1 1291 . 3 . 2 5 5 DA H5' H 1 4.206 . . 1 . . . . . 17 DA H5' . 53818 1 1292 . 3 . 2 5 5 DA H5'' H 1 4.206 . . 1 . . . . . 17 DA H5'' . 53818 1 1293 . 3 . 2 5 5 DA H8 H 1 8.077 . . 2 . . . . . 17 DA H8 . 53818 1 1294 . 3 . 2 5 5 DA C1' C 13 84.114 . . 1 . . . . . 17 DA C1' . 53818 1 1295 . 3 . 2 5 5 DA C2' C 13 41.167 . . 1 . . . . . 17 DA C2' . 53818 1 1296 . 3 . 2 5 5 DA C3' C 13 79.019 . . 1 . . . . . 17 DA C3' . 53818 1 1297 . 3 . 2 5 5 DA C4' C 13 87.156 . . 1 . . . . . 17 DA C4' . 53818 1 1298 . 3 . 2 5 5 DA C5' C 13 68.225 . . 1 . . . . . 17 DA C5' . 53818 1 1299 . 3 . 2 6 6 DA H1' H 1 6.115 . . 1 . . . . . 18 DA H1' . 53818 1 1300 . 3 . 2 6 6 DA H2 H 1 7.550 . . 2 . . . . . 18 DA H2 . 53818 1 1301 . 3 . 2 6 6 DA H2' H 1 2.526 . . 1 . . . . . 18 DA H2' . 53818 1 1302 . 3 . 2 6 6 DA H2'' H 1 2.904 . . 1 . . . . . 18 DA H2'' . 53818 1 1303 . 3 . 2 6 6 DA H3' H 1 4.973 . . 1 . . . . . 18 DA H3' . 53818 1 1304 . 3 . 2 6 6 DA H4' H 1 4.443 . . 1 . . . . . 18 DA H4' . 53818 1 1305 . 3 . 2 6 6 DA H5' H 1 4.266 . . 1 . . . . . 18 DA H5' . 53818 1 1306 . 3 . 2 6 6 DA H5'' H 1 4.238 . . 1 . . . . . 18 DA H5'' . 53818 1 1307 . 3 . 2 6 6 DA H8 H 1 8.054 . . 2 . . . . . 18 DA H8 . 53818 1 1308 . 3 . 2 6 6 DA C1' C 13 84.864 . . 1 . . . . . 18 DA C1' . 53818 1 1309 . 3 . 2 6 6 DA C2' C 13 41.681 . . 1 . . . . . 18 DA C2' . 53818 1 1310 . 3 . 2 6 6 DA C3' C 13 78.907 . . 1 . . . . . 18 DA C3' . 53818 1 1311 . 3 . 2 6 6 DA C4' C 13 87.156 . . 1 . . . . . 18 DA C4' . 53818 1 1312 . 3 . 2 6 6 DA C5' C 13 68.225 . . 1 . . . . . 18 DA C5' . 53818 1 1313 . 3 . 2 7 7 DT H1' H 1 5.890 . . 1 . . . . . 19 DT H1' . 53818 1 1314 . 3 . 2 7 7 DT H2' H 1 1.998 . . 1 . . . . . 19 DT H2' . 53818 1 1315 . 3 . 2 7 7 DT H2'' H 1 2.560 . . 1 . . . . . 19 DT H2'' . 53818 1 1316 . 3 . 2 7 7 DT H3 H 1 13.566 . . 2 . . . . . 19 DT H3 . 53818 1 1317 . 3 . 2 7 7 DT H3' H 1 4.830 . . 1 . . . . . 19 DT H3' . 53818 1 1318 . 3 . 2 7 7 DT H4' H 1 4.199 . . 1 . . . . . 19 DT H4' . 53818 1 1319 . 3 . 2 7 7 DT H5' H 1 4.297 . . 1 . . . . . 19 DT H5' . 53818 1 1320 . 3 . 2 7 7 DT H5'' H 1 4.147 . . 1 . . . . . 19 DT H5'' . 53818 1 1321 . 3 . 2 7 7 DT H6 H 1 7.068 . . 2 . . . . . 19 DT H6 . 53818 1 1322 . 3 . 2 7 7 DT H71 H 1 1.246 . . 1 . . . . . 19 DT H71 . 53818 1 1323 . 3 . 2 7 7 DT H72 H 1 1.246 . . 1 . . . . . 19 DT H72 . 53818 1 1324 . 3 . 2 7 7 DT H73 H 1 1.246 . . 1 . . . . . 19 DT H73 . 53818 1 1325 . 3 . 2 7 7 DT C1' C 13 85.122 . . 1 . . . . . 19 DT C1' . 53818 1 1326 . 3 . 2 7 7 DT C2' C 13 39.258 . . 1 . . . . . 19 DT C2' . 53818 1 1327 . 3 . 2 7 7 DT C3' C 13 77.370 . . 1 . . . . . 19 DT C3' . 53818 1 1328 . 3 . 2 7 7 DT C4' C 13 85.409 . . 1 . . . . . 19 DT C4' . 53818 1 1329 . 3 . 2 7 7 DT C5' C 13 66.708 . . 1 . . . . . 19 DT C5' . 53818 1 1330 . 3 . 2 7 7 DT C7 C 13 13.893 . . 1 . . . . . 19 DT C7 . 53818 1 1331 . 3 . 2 8 8 DT H1' H 1 6.095 . . 1 . . . . . 20 DT H1' . 53818 1 1332 . 3 . 2 8 8 DT H2' H 1 2.155 . . 1 . . . . . 20 DT H2' . 53818 1 1333 . 3 . 2 8 8 DT H2'' H 1 2.605 . . 1 . . . . . 20 DT H2'' . 53818 1 1334 . 3 . 2 8 8 DT H3 H 1 13.810 . . 2 . . . . . 20 DT H3 . 53818 1 1335 . 3 . 2 8 8 DT H3' H 1 4.890 . . 1 . . . . . 20 DT H3' . 53818 1 1336 . 3 . 2 8 8 DT H4' H 1 4.198 . . 1 . . . . . 20 DT H4' . 53818 1 1337 . 3 . 2 8 8 DT H5' H 1 4.197 . . 1 . . . . . 20 DT H5' . 53818 1 1338 . 3 . 2 8 8 DT H5'' H 1 4.113 . . 1 . . . . . 20 DT H5'' . 53818 1 1339 . 3 . 2 8 8 DT H6 H 1 7.386 . . 2 . . . . . 20 DT H6 . 53818 1 1340 . 3 . 2 8 8 DT H71 H 1 1.530 . . 1 . . . . . 20 DT H71 . 53818 1 1341 . 3 . 2 8 8 DT H72 H 1 1.530 . . 1 . . . . . 20 DT H72 . 53818 1 1342 . 3 . 2 8 8 DT H73 H 1 1.530 . . 1 . . . . . 20 DT H73 . 53818 1 1343 . 3 . 2 8 8 DT C1' C 13 85.501 . . 1 . . . . . 20 DT C1' . 53818 1 1344 . 3 . 2 8 8 DT C2' C 13 39.002 . . 1 . . . . . 20 DT C2' . 53818 1 1345 . 3 . 2 8 8 DT C3' C 13 78.516 . . 1 . . . . . 20 DT C3' . 53818 1 1346 . 3 . 2 8 8 DT C4' C 13 85.896 . . 1 . . . . . 20 DT C4' . 53818 1 1347 . 3 . 2 8 8 DT C5' C 13 66.832 . . 1 . . . . . 20 DT C5' . 53818 1 1348 . 3 . 2 8 8 DT C7 C 13 14.363 . . 1 . . . . . 20 DT C7 . 53818 1 1349 . 3 . 2 9 9 DT H1' H 1 5.851 . . 1 . . . . . 21 DT H1' . 53818 1 1350 . 3 . 2 9 9 DT H2' H 1 2.056 . . 1 . . . . . 21 DT H2' . 53818 1 1351 . 3 . 2 9 9 DT H2'' H 1 2.441 . . 1 . . . . . 21 DT H2'' . 53818 1 1352 . 3 . 2 9 9 DT H3 H 1 13.680 . . 2 . . . . . 21 DT H3 . 53818 1 1353 . 3 . 2 9 9 DT H3' H 1 4.900 . . 1 . . . . . 21 DT H3' . 53818 1 1354 . 3 . 2 9 9 DT H4' H 1 4.134 . . 1 . . . . . 21 DT H4' . 53818 1 1355 . 3 . 2 9 9 DT H5' H 1 4.198 . . 1 . . . . . 21 DT H5' . 53818 1 1356 . 3 . 2 9 9 DT H5'' H 1 4.104 . . 1 . . . . . 21 DT H5'' . 53818 1 1357 . 3 . 2 9 9 DT H6 H 1 7.268 . . 2 . . . . . 21 DT H6 . 53818 1 1358 . 3 . 2 9 9 DT H71 H 1 1.662 . . 1 . . . . . 21 DT H71 . 53818 1 1359 . 3 . 2 9 9 DT H72 H 1 1.662 . . 1 . . . . . 21 DT H72 . 53818 1 1360 . 3 . 2 9 9 DT H73 H 1 1.662 . . 1 . . . . . 21 DT H73 . 53818 1 1361 . 3 . 2 9 9 DT C1' C 13 85.124 . . 1 . . . . . 21 DT C1' . 53818 1 1362 . 3 . 2 9 9 DT C2' C 13 39.256 . . 1 . . . . . 21 DT C2' . 53818 1 1363 . 3 . 2 9 9 DT C3' C 13 77.249 . . 1 . . . . . 21 DT C3' . 53818 1 1364 . 3 . 2 9 9 DT C4' C 13 85.384 . . 1 . . . . . 21 DT C4' . 53818 1 1365 . 3 . 2 9 9 DT C5' C 13 66.704 . . 1 . . . . . 21 DT C5' . 53818 1 1366 . 3 . 2 9 9 DT C7 C 13 14.672 . . 1 . . . . . 21 DT C7 . 53818 1 1367 . 3 . 2 10 10 DG H1 H 1 12.653 . . 2 . . . . . 22 DG H1 . 53818 1 1368 . 3 . 2 10 10 DG H1' H 1 5.807 . . 1 . . . . . 22 DG H1' . 53818 1 1369 . 3 . 2 10 10 DG H2' H 1 2.633 . . 1 . . . . . 22 DG H2' . 53818 1 1370 . 3 . 2 10 10 DG H2'' H 1 2.664 . . 1 . . . . . 22 DG H2'' . 53818 1 1371 . 3 . 2 10 10 DG H3' H 1 4.981 . . 1 . . . . . 22 DG H3' . 53818 1 1372 . 3 . 2 10 10 DG H4' H 1 4.357 . . 1 . . . . . 22 DG H4' . 53818 1 1373 . 3 . 2 10 10 DG H5' H 1 4.140 . . 1 . . . . . 22 DG H5' . 53818 1 1374 . 3 . 2 10 10 DG H5'' H 1 4.090 . . 1 . . . . . 22 DG H5'' . 53818 1 1375 . 3 . 2 10 10 DG H8 H 1 7.894 . . 2 . . . . . 22 DG H8 . 53818 1 1376 . 3 . 2 10 10 DG C1' C 13 84.241 . . 1 . . . . . 22 DG C1' . 53818 1 1377 . 3 . 2 10 10 DG C2' C 13 40.276 . . 1 . . . . . 22 DG C2' . 53818 1 1378 . 3 . 2 10 10 DG C3' C 13 79.150 . . 1 . . . . . 22 DG C3' . 53818 1 1379 . 3 . 2 10 10 DG C4' C 13 87.154 . . 1 . . . . . 22 DG C4' . 53818 1 1380 . 3 . 2 10 10 DG C5' C 13 68.104 . . 1 . . . . . 22 DG C5' . 53818 1 1381 . 3 . 2 11 11 DC H1' H 1 5.792 . . 1 . . . . . 23 DC H1' . 53818 1 1382 . 3 . 2 11 11 DC H2' H 1 1.874 . . 1 . . . . . 23 DC H2' . 53818 1 1383 . 3 . 2 11 11 DC H2'' H 1 2.320 . . 1 . . . . . 23 DC H2'' . 53818 1 1384 . 3 . 2 11 11 DC H3' H 1 4.788 . . 1 . . . . . 23 DC H3' . 53818 1 1385 . 3 . 2 11 11 DC H4' H 1 4.144 . . 1 . . . . . 23 DC H4' . 53818 1 1386 . 3 . 2 11 11 DC H5 H 1 5.414 . . 2 . . . . . 23 DC H5 . 53818 1 1387 . 3 . 2 11 11 DC H5' H 1 4.205 . . 1 . . . . . 23 DC H5' . 53818 1 1388 . 3 . 2 11 11 DC H5'' H 1 4.105 . . 1 . . . . . 23 DC H5'' . 53818 1 1389 . 3 . 2 11 11 DC H6 H 1 7.327 . . 2 . . . . . 23 DC H6 . 53818 1 1390 . 3 . 2 11 11 DC H41 H 1 8.403 . . 2 . . . . . 23 DC H41 . 53818 1 1391 . 3 . 2 11 11 DC H42 H 1 6.496 . . 2 . . . . . 23 DC H42 . 53818 1 1392 . 3 . 2 11 11 DC C1' C 13 86.521 . . 1 . . . . . 23 DC C1' . 53818 1 1393 . 3 . 2 11 11 DC C2' C 13 39.893 . . 1 . . . . . 23 DC C2' . 53818 1 1394 . 3 . 2 11 11 DC C3' C 13 76.752 . . 1 . . . . . 23 DC C3' . 53818 1 1395 . 3 . 2 11 11 DC C4' C 13 85.722 . . 1 . . . . . 23 DC C4' . 53818 1 1396 . 3 . 2 11 11 DC C5 C 13 98.593 . . 1 . . . . . 23 DC C5 . 53818 1 1397 . 3 . 2 11 11 DC C5' C 13 67.331 . . 1 . . . . . 23 DC C5' . 53818 1 1398 . 3 . 2 12 12 DG H1 H 1 13.000 . . 2 . . . . . 24 DG H1 . 53818 1 1399 . 3 . 2 12 12 DG H1' H 1 6.137 . . 1 . . . . . 24 DG H1' . 53818 1 1400 . 3 . 2 12 12 DG H2' H 1 2.363 . . 1 . . . . . 24 DG H2' . 53818 1 1401 . 3 . 2 12 12 DG H2'' H 1 2.595 . . 1 . . . . . 24 DG H2'' . 53818 1 1402 . 3 . 2 12 12 DG H3' H 1 4.665 . . 1 . . . . . 24 DG H3' . 53818 1 1403 . 3 . 2 12 12 DG H4' H 1 4.146 . . 1 . . . . . 24 DG H4' . 53818 1 1404 . 3 . 2 12 12 DG H5' H 1 4.063 . . 1 . . . . . 24 DG H5' . 53818 1 1405 . 3 . 2 12 12 DG H5'' H 1 4.063 . . 1 . . . . . 24 DG H5'' . 53818 1 1406 . 3 . 2 12 12 DG H8 H 1 7.924 . . 2 . . . . . 24 DG H8 . 53818 1 1407 . 3 . 2 12 12 DG C1' C 13 84.870 . . 1 . . . . . 24 DG C1' . 53818 1 1408 . 3 . 2 12 12 DG C2' C 13 41.931 . . 1 . . . . . 24 DG C2' . 53818 1 1409 . 3 . 2 12 12 DG C4' C 13 87.921 . . 1 . . . . . 24 DG C4' . 53818 1 1410 . 3 . 2 12 12 DG C5' C 13 67.593 . . 1 . . . . . 24 DG C5' . 53818 1 stop_ save_