data_7097 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7097 _Entry.Title ; DNA recognition by the Brinker nuclear repressor - an extreme case of the coupling between binding and folding ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-05-05 _Entry.Accession_date 2006-05-09 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 F. Cordier . . . 7097 2 B. Hartmann . . . 7097 3 M. Rogowski . . . 7097 4 M. Affolter . . . 7097 5 S. Grzesiek . . . 7097 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 3 7097 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 255 7097 '15N chemical shifts' 75 7097 '1H chemical shifts' 582 7097 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-07-14 2006-05-05 update BMRB 'update DNA residue label to two-letter code' 7097 1 . . 2006-09-22 2006-05-05 original author 'original release' 7097 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 7134 'protein brkDBD in free form' 7097 PDB 2GLO 'BMRB Entry Tracking System' 7097 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7097 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16876822 _Citation.Full_citation . _Citation.Title ; DNA recognition by the Brinker repressor - an extreme case of coupling between binding and folding ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 361 _Citation.Journal_issue 4 _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 659 _Citation.Page_last 672 _Citation.Year 2006 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 F. Cordier . . . 7097 1 2 B. Hartmann . . . 7097 1 3 M. Rogowski . . . 7097 1 4 M. Affolter . . . 7097 1 5 S. Grzesiek . . . 7097 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'HELIX-TURN-HELIX MOTIF' 7097 1 'PROTEIN-DNA COMPLEX' 7097 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Complex _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Complex _Assembly.Entry_ID 7097 _Assembly.ID 1 _Assembly.Name 'brinker CG9653-PA/DNA Complex' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID complex 7097 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'brinker CG9653-PA' 1 $brkDBD . . . native . . . . . 7097 1 2 5'-D(*TP*GP*AP*GP*GP*CP*GP*TP*CP*AP*AP*C)-3' 2 $DNA-chain-A . . . native . . . . . 7097 1 3 5'-D(*GP*TP*TP*GP*AP*CP*GP*CP*CP*TP*CP*A)-3' 3 $DNA-chain-B . . . native . . . . . 7097 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2GLO . . . . . . 7097 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'brinker CG9653-PA/DNA Complex' abbreviation 7097 1 'brinker CG9653-PA/DNA Complex' system 7097 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_brkDBD _Entity.Sf_category entity _Entity.Sf_framecode brkDBD _Entity.Entry_ID 7097 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'brinker CG9653-PA' _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 ; GSRRIFTPHFKLQVLESYRN DNDCKGNQRATARKYNIHRR QIQKWLQCESNLRSSVANN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 59 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 7134 . brkDBD . . . . . 100.00 59 100.00 100.00 5.49e-35 . . . . 7097 1 2 no PDB 2GLO . "Solution Structure Of The Brinker Dna Binding Domain In Complex With The Omb Enhancer" . . . . . 100.00 59 100.00 100.00 5.49e-35 . . . . 7097 1 3 no DBJ BAA76710 . "Brk [Drosophila melanogaster]" . . . . . 100.00 704 100.00 100.00 1.05e-33 . . . . 7097 1 4 no GB AAD22080 . "putative transcription factor [Drosophila melanogaster]" . . . . . 100.00 704 100.00 100.00 1.05e-33 . . . . 7097 1 5 no GB AAF46251 . "brinker [Drosophila melanogaster]" . . . . . 100.00 704 100.00 100.00 1.05e-33 . . . . 7097 1 6 no GB ACD81876 . "RE59351p [Drosophila melanogaster]" . . . . . 100.00 704 100.00 100.00 1.05e-33 . . . . 7097 1 7 no GB ACK77656 . "RE18244p [Drosophila melanogaster]" . . . . . 100.00 704 100.00 100.00 1.05e-33 . . . . 7097 1 8 no GB EDV34122 . "GF21139 [Drosophila ananassae]" . . . . . 100.00 641 98.31 98.31 2.05e-33 . . . . 7097 1 9 no REF NP_511069 . "brinker [Drosophila melanogaster]" . . . . . 100.00 704 100.00 100.00 1.05e-33 . . . . 7097 1 10 no REF XP_001963673 . "GF21139 [Drosophila ananassae]" . . . . . 100.00 641 98.31 98.31 2.05e-33 . . . . 7097 1 11 no REF XP_001978531 . "GG19638 [Drosophila erecta]" . . . . . 100.00 709 100.00 100.00 1.14e-33 . . . . 7097 1 12 no REF XP_002022676 . "GL14695 [Drosophila persimilis]" . . . . . 100.00 753 98.31 98.31 1.91e-28 . . . . 7097 1 13 no REF XP_002043219 . "GM17513 [Drosophila sechellia]" . . . . . 100.00 692 100.00 100.00 1.16e-33 . . . . 7097 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'brinker CG9653-PA' abbreviation 7097 1 'brinker CG9653-PA' common 7097 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 43 GLY . 7097 1 2 44 SER . 7097 1 3 45 ARG . 7097 1 4 46 ARG . 7097 1 5 47 ILE . 7097 1 6 48 PHE . 7097 1 7 49 THR . 7097 1 8 50 PRO . 7097 1 9 51 HIS . 7097 1 10 52 PHE . 7097 1 11 53 LYS . 7097 1 12 54 LEU . 7097 1 13 55 GLN . 7097 1 14 56 VAL . 7097 1 15 57 LEU . 7097 1 16 58 GLU . 7097 1 17 59 SER . 7097 1 18 60 TYR . 7097 1 19 61 ARG . 7097 1 20 62 ASN . 7097 1 21 63 ASP . 7097 1 22 64 ASN . 7097 1 23 65 ASP . 7097 1 24 66 CYS . 7097 1 25 67 LYS . 7097 1 26 68 GLY . 7097 1 27 69 ASN . 7097 1 28 70 GLN . 7097 1 29 71 ARG . 7097 1 30 72 ALA . 7097 1 31 73 THR . 7097 1 32 74 ALA . 7097 1 33 75 ARG . 7097 1 34 76 LYS . 7097 1 35 77 TYR . 7097 1 36 78 ASN . 7097 1 37 79 ILE . 7097 1 38 80 HIS . 7097 1 39 81 ARG . 7097 1 40 82 ARG . 7097 1 41 83 GLN . 7097 1 42 84 ILE . 7097 1 43 85 GLN . 7097 1 44 86 LYS . 7097 1 45 87 TRP . 7097 1 46 88 LEU . 7097 1 47 89 GLN . 7097 1 48 90 CYS . 7097 1 49 91 GLU . 7097 1 50 92 SER . 7097 1 51 93 ASN . 7097 1 52 94 LEU . 7097 1 53 95 ARG . 7097 1 54 96 SER . 7097 1 55 97 SER . 7097 1 56 98 VAL . 7097 1 57 99 ALA . 7097 1 58 100 ASN . 7097 1 59 101 ASN . 7097 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 7097 1 . SER 2 2 7097 1 . ARG 3 3 7097 1 . ARG 4 4 7097 1 . ILE 5 5 7097 1 . PHE 6 6 7097 1 . THR 7 7 7097 1 . PRO 8 8 7097 1 . HIS 9 9 7097 1 . PHE 10 10 7097 1 . LYS 11 11 7097 1 . LEU 12 12 7097 1 . GLN 13 13 7097 1 . VAL 14 14 7097 1 . LEU 15 15 7097 1 . GLU 16 16 7097 1 . SER 17 17 7097 1 . TYR 18 18 7097 1 . ARG 19 19 7097 1 . ASN 20 20 7097 1 . ASP 21 21 7097 1 . ASN 22 22 7097 1 . ASP 23 23 7097 1 . CYS 24 24 7097 1 . LYS 25 25 7097 1 . GLY 26 26 7097 1 . ASN 27 27 7097 1 . GLN 28 28 7097 1 . ARG 29 29 7097 1 . ALA 30 30 7097 1 . THR 31 31 7097 1 . ALA 32 32 7097 1 . ARG 33 33 7097 1 . LYS 34 34 7097 1 . TYR 35 35 7097 1 . ASN 36 36 7097 1 . ILE 37 37 7097 1 . HIS 38 38 7097 1 . ARG 39 39 7097 1 . ARG 40 40 7097 1 . GLN 41 41 7097 1 . ILE 42 42 7097 1 . GLN 43 43 7097 1 . LYS 44 44 7097 1 . TRP 45 45 7097 1 . LEU 46 46 7097 1 . GLN 47 47 7097 1 . CYS 48 48 7097 1 . GLU 49 49 7097 1 . SER 50 50 7097 1 . ASN 51 51 7097 1 . LEU 52 52 7097 1 . ARG 53 53 7097 1 . SER 54 54 7097 1 . SER 55 55 7097 1 . VAL 56 56 7097 1 . ALA 57 57 7097 1 . ASN 58 58 7097 1 . ASN 59 59 7097 1 stop_ save_ save_DNA-chain-A _Entity.Sf_category entity _Entity.Sf_framecode DNA-chain-A _Entity.Entry_ID 7097 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 5'-D(*TP*GP*AP*GP*GP*CP*GP*TP*CP*AP*AP*C)-3' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code TGAGGCGTCAAC _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 12 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 5'-D(*TP*GP*AP*GP*GP*CP*GP*TP*CP*AP*AP*C)-3' abbreviation 7097 2 5'-D(*TP*GP*AP*GP*GP*CP*GP*TP*CP*AP*AP*C)-3' common 7097 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . DT . 7097 2 2 . DG . 7097 2 3 . DA . 7097 2 4 . DG . 7097 2 5 . DG . 7097 2 6 . DC . 7097 2 7 . DG . 7097 2 8 . DT . 7097 2 9 . DC . 7097 2 10 . DA . 7097 2 11 . DA . 7097 2 12 . DC . 7097 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 . DT 1 1 7097 2 . DG 2 2 7097 2 . DA 3 3 7097 2 . DG 4 4 7097 2 . DG 5 5 7097 2 . DC 6 6 7097 2 . DG 7 7 7097 2 . DT 8 8 7097 2 . DC 9 9 7097 2 . DA 10 10 7097 2 . DA 11 11 7097 2 . DC 12 12 7097 2 stop_ save_ save_DNA-chain-B _Entity.Sf_category entity _Entity.Sf_framecode DNA-chain-B _Entity.Entry_ID 7097 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name 5'-D(*GP*TP*TP*GP*AP*CP*GP*CP*CP*TP*CP*A)-3' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code GTTGACGCCTCA _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 12 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 5'-D(*GP*TP*TP*GP*AP*CP*GP*CP*CP*TP*CP*A)-3' abbreviation 7097 3 5'-D(*GP*TP*TP*GP*AP*CP*GP*CP*CP*TP*CP*A)-3' common 7097 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 . DG . 7097 3 2 . DT . 7097 3 3 . DT . 7097 3 4 . DG . 7097 3 5 . DA . 7097 3 6 . DC . 7097 3 7 . DG . 7097 3 8 . DC . 7097 3 9 . DC . 7097 3 10 . DT . 7097 3 11 . DC . 7097 3 12 . DA . 7097 3 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . DG 1 1 7097 3 . DT 2 2 7097 3 . DT 3 3 7097 3 . DG 4 4 7097 3 . DA 5 5 7097 3 . DC 6 6 7097 3 . DG 7 7 7097 3 . DC 8 8 7097 3 . DC 9 9 7097 3 . DT 10 10 7097 3 . DC 11 11 7097 3 . DA 12 12 7097 3 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 7097 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $brkDBD . 7227 . . 'Drosophila melanogaster' 'Fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . . . . . . . . . . . 7097 1 2 2 $DNA-chain-A . 7227 . . 'Drosophila melanogaster' 'Fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . . . . . . . . . . . 7097 1 3 3 $DNA-chain-B . 7227 . . 'Drosophila melanogaster' 'Fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . . . . . . . . . . . 7097 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 7097 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $brkDBD . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . plasmid . . pET-22b(+) . . . . . . 7097 1 2 2 $DNA-chain-A . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7097 1 3 3 $DNA-chain-B . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7097 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7097 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'brinker CG9653-PA' [U-15N] . . 1 $brkDBD . . 1 . . mM . . . . 7097 1 2 5'-D(*TP*GP*AP*GP*GP*CP*GP*TP*CP*AP*AP*C)-3' . . . 2 $DNA-chain-A . . 1 . . mM . . . . 7097 1 3 5'-D(*GP*TP*TP*GP*AP*CP*GP*CP*CP*TP*CP*A)-3' . . . 3 $DNA-chain-B . . 1 . . mM . . . . 7097 1 4 NaCl . . . . . . . 10 . . mM . . . . 7097 1 5 'potassium phosphate' . . . . . . . 5 . . mM . . . . 7097 1 6 TCEP . . . . . . . 5 . . mM . . . . 7097 1 7 NaN3 . . . . . . . 0.02 . . % . . . . 7097 1 8 H2O . . . . . . . 95 . . % . . . . 7097 1 9 D2O . . . . . . . 5 . . % . . . . 7097 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 7097 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'brinker CG9653-PA' '[U-13C; U-15N]' . . 1 $brkDBD . . 1 . . mM . . . . 7097 2 2 5'-D(*TP*GP*AP*GP*GP*CP*GP*TP*CP*AP*AP*C)-3' . . . 2 $DNA-chain-A . . 1 . . mM . . . . 7097 2 3 5'-D(*GP*TP*TP*GP*AP*CP*GP*CP*CP*TP*CP*A)-3' . . . 3 $DNA-chain-B . . 1 . . mM . . . . 7097 2 4 NaCl . . . . . . . 10 . . mM . . . . 7097 2 5 'potassium phosphate' . . . . . . . 5 . . mM . . . . 7097 2 6 TCEP . . . . . . . 5 . . mM . . . . 7097 2 7 NaN3 . . . . . . . 0.02 . . % . . . . 7097 2 8 H2O . . . . . . . 95 . . % . . . . 7097 2 9 D2O . . . . . . . 5 . . % . . . . 7097 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 7097 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'brinker CG9653-PA' '[U-13C; U-15N]' . . 1 $brkDBD . . 0.35 . . mM . . . . 7097 3 2 5'-D(*TP*GP*AP*GP*GP*CP*GP*TP*CP*AP*AP*C)-3' . . . 2 $DNA-chain-A . . 0.35 . . mM . . . . 7097 3 3 5'-D(*GP*TP*TP*GP*AP*CP*GP*CP*CP*TP*CP*A)-3' . . . 3 $DNA-chain-B . . 0.35 . . mM . . . . 7097 3 4 NaCl . . . . . . . 10 . . mM . . . . 7097 3 5 'potassium phosphate' . . . . . . . 20 . . mM . . . . 7097 3 6 DTT . . . . . . . 2 . . mM . . . . 7097 3 7 NaN3 . . . . . . . 0.02 . . % . . . . 7097 3 8 Pf1-phages . . . . . . . 25 . . mg/mL . . . . 7097 3 9 H2O . . . . . . . 95 . . % . . . . 7097 3 10 D2O . . . . . . . 5 . . % . . . . 7097 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 7097 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 10 . mM 7097 1 pH 5.8 . pH 7097 1 pressure 1 . atm 7097 1 temperature 298 . K 7097 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 7097 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details Bruker loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 7097 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 7097 _Software.ID 2 _Software.Name NMRPipe _Software.Version 2.2 _Software.Details Delaglio loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 7097 2 stop_ save_ save_PIPP _Software.Sf_category software _Software.Sf_framecode PIPP _Software.Entry_ID 7097 _Software.ID 3 _Software.Name PIPP _Software.Version 4.3.2 _Software.Details Garrett loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 7097 3 stop_ save_ save_HADDOCK _Software.Sf_category software _Software.Sf_framecode HADDOCK _Software.Entry_ID 7097 _Software.ID 4 _Software.Name HADDOCK _Software.Version 1.2 _Software.Details Bonvin loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 7097 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 7097 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 7097 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker DRX . 800 . . . 7097 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 7097 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 15N-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7097 1 2 '3D 13C-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7097 1 3 '3D dq-HNHA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7097 1 4 '3D dq-HAHB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7097 1 5 '2D HNCG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7097 1 6 '2D HN(CO)CG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7097 1 7 '2D 13C-selected/12C,14N-selected NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7097 1 8 DSSE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7097 1 9 J-modulated-13C-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7097 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 7097 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.251449530 . . . . . . . . . 7097 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 7097 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.101329118 . . . . . . . . . 7097 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 7097 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 7097 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.9000 0.005 . . . . . . . . . . 7097 1 2 . 1 1 1 1 GLY HA3 H 1 3.9000 0.005 . . . . . . . . . . 7097 1 3 . 1 1 1 1 GLY C C 13 179.3400 0.03 . . . . . . . . . . 7097 1 4 . 1 1 1 1 GLY CA C 13 43.3900 0.03 . . . . . . . . . . 7097 1 5 . 1 1 2 2 SER H H 1 8.5600 0.005 . . . . . . . . . . 7097 1 6 . 1 1 2 2 SER HA H 1 4.6500 0.005 . . . . . . . . . . 7097 1 7 . 1 1 2 2 SER HB2 H 1 3.8100 0.005 . . . . . . . . . . 7097 1 8 . 1 1 2 2 SER HB3 H 1 3.8500 0.005 . . . . . . . . . . 7097 1 9 . 1 1 2 2 SER C C 13 173.5300 0.03 . . . . . . . . . . 7097 1 10 . 1 1 2 2 SER CA C 13 58.1200 0.03 . . . . . . . . . . 7097 1 11 . 1 1 2 2 SER CB C 13 64.4900 0.03 . . . . . . . . . . 7097 1 12 . 1 1 2 2 SER N N 15 115.2400 0.03 . . . . . . . . . . 7097 1 13 . 1 1 3 3 ARG H H 1 8.5200 0.005 . . . . . . . . . . 7097 1 14 . 1 1 3 3 ARG HA H 1 4.6400 0.005 . . . . . . . . . . 7097 1 15 . 1 1 3 3 ARG HB2 H 1 1.7900 0.005 . . . . . . . . . . 7097 1 16 . 1 1 3 3 ARG HB3 H 1 1.7900 0.005 . . . . . . . . . . 7097 1 17 . 1 1 3 3 ARG HG2 H 1 1.6000 0.005 . . . . . . . . . . 7097 1 18 . 1 1 3 3 ARG HG3 H 1 1.6800 0.005 . . . . . . . . . . 7097 1 19 . 1 1 3 3 ARG HD2 H 1 3.1500 0.005 . . . . . . . . . . 7097 1 20 . 1 1 3 3 ARG HD3 H 1 3.2200 0.005 . . . . . . . . . . 7097 1 21 . 1 1 3 3 ARG HE H 1 7.2689 0.005 . . . . . . . . . . 7097 1 22 . 1 1 3 3 ARG C C 13 175.3600 0.03 . . . . . . . . . . 7097 1 23 . 1 1 3 3 ARG CA C 13 55.6300 0.03 . . . . . . . . . . 7097 1 24 . 1 1 3 3 ARG CB C 13 32.9600 0.03 . . . . . . . . . . 7097 1 25 . 1 1 3 3 ARG CG C 13 27.2300 0.03 . . . . . . . . . . 7097 1 26 . 1 1 3 3 ARG CD C 13 44.5200 0.03 . . . . . . . . . . 7097 1 27 . 1 1 3 3 ARG N N 15 122.1400 0.03 . . . . . . . . . . 7097 1 28 . 1 1 3 3 ARG NE N 15 86.1863 0.03 . . . . . . . . . . 7097 1 29 . 1 1 4 4 ARG H H 1 8.2300 0.005 . . . . . . . . . . 7097 1 30 . 1 1 4 4 ARG HA H 1 4.0200 0.005 . . . . . . . . . . 7097 1 31 . 1 1 4 4 ARG HB2 H 1 1.0200 0.005 . . . . . . . . . . 7097 1 32 . 1 1 4 4 ARG HB3 H 1 1.3600 0.005 . . . . . . . . . . 7097 1 33 . 1 1 4 4 ARG HG2 H 1 1.6600 0.005 . . . . . . . . . . 7097 1 34 . 1 1 4 4 ARG HG3 H 1 1.7200 0.005 . . . . . . . . . . 7097 1 35 . 1 1 4 4 ARG HD2 H 1 3.1100 0.005 . . . . . . . . . . 7097 1 36 . 1 1 4 4 ARG HD3 H 1 3.4100 0.005 . . . . . . . . . . 7097 1 37 . 1 1 4 4 ARG HE H 1 7.3798 0.005 . . . . . . . . . . 7097 1 38 . 1 1 4 4 ARG C C 13 174.2800 0.03 . . . . . . . . . . 7097 1 39 . 1 1 4 4 ARG CA C 13 56.5200 0.03 . . . . . . . . . . 7097 1 40 . 1 1 4 4 ARG CB C 13 32.2600 0.03 . . . . . . . . . . 7097 1 41 . 1 1 4 4 ARG CG C 13 27.2300 0.03 . . . . . . . . . . 7097 1 42 . 1 1 4 4 ARG CD C 13 43.6600 0.03 . . . . . . . . . . 7097 1 43 . 1 1 4 4 ARG N N 15 125.5200 0.03 . . . . . . . . . . 7097 1 44 . 1 1 4 4 ARG NE N 15 84.7929 0.03 . . . . . . . . . . 7097 1 45 . 1 1 5 5 ILE H H 1 7.6100 0.005 . . . . . . . . . . 7097 1 46 . 1 1 5 5 ILE HA H 1 4.0200 0.005 . . . . . . . . . . 7097 1 47 . 1 1 5 5 ILE HB H 1 1.4900 0.005 . . . . . . . . . . 7097 1 48 . 1 1 5 5 ILE HG12 H 1 0.9600 0.005 . . . . . . . . . . 7097 1 49 . 1 1 5 5 ILE HG13 H 1 1.4300 0.005 . . . . . . . . . . 7097 1 50 . 1 1 5 5 ILE HG21 H 1 0.7400 0.005 . . . . . . . . . . 7097 1 51 . 1 1 5 5 ILE HG22 H 1 0.7400 0.005 . . . . . . . . . . 7097 1 52 . 1 1 5 5 ILE HG23 H 1 0.7400 0.005 . . . . . . . . . . 7097 1 53 . 1 1 5 5 ILE HD11 H 1 0.7900 0.005 . . . . . . . . . . 7097 1 54 . 1 1 5 5 ILE HD12 H 1 0.7900 0.005 . . . . . . . . . . 7097 1 55 . 1 1 5 5 ILE HD13 H 1 0.7900 0.005 . . . . . . . . . . 7097 1 56 . 1 1 5 5 ILE C C 13 175.6500 0.03 . . . . . . . . . . 7097 1 57 . 1 1 5 5 ILE CA C 13 59.9700 0.03 . . . . . . . . . . 7097 1 58 . 1 1 5 5 ILE CB C 13 39.7000 0.03 . . . . . . . . . . 7097 1 59 . 1 1 5 5 ILE CG1 C 13 27.6600 0.03 . . . . . . . . . . 7097 1 60 . 1 1 5 5 ILE CG2 C 13 17.4300 0.03 . . . . . . . . . . 7097 1 61 . 1 1 5 5 ILE CD1 C 13 13.3600 0.03 . . . . . . . . . . 7097 1 62 . 1 1 5 5 ILE N N 15 117.4800 0.03 . . . . . . . . . . 7097 1 63 . 1 1 6 6 PHE H H 1 8.8800 0.005 . . . . . . . . . . 7097 1 64 . 1 1 6 6 PHE HA H 1 5.2400 0.005 . . . . . . . . . . 7097 1 65 . 1 1 6 6 PHE HB2 H 1 2.7100 0.005 . . . . . . . . . . 7097 1 66 . 1 1 6 6 PHE HB3 H 1 2.9700 0.005 . . . . . . . . . . 7097 1 67 . 1 1 6 6 PHE HD1 H 1 6.9532 0.005 . . . . . . . . . . 7097 1 68 . 1 1 6 6 PHE HE1 H 1 7.2158 0.005 . . . . . . . . . . 7097 1 69 . 1 1 6 6 PHE HZ H 1 7.3985 0.005 . . . . . . . . . . 7097 1 70 . 1 1 6 6 PHE C C 13 175.8200 0.03 . . . . . . . . . . 7097 1 71 . 1 1 6 6 PHE CA C 13 54.5200 0.03 . . . . . . . . . . 7097 1 72 . 1 1 6 6 PHE CB C 13 42.7300 0.03 . . . . . . . . . . 7097 1 73 . 1 1 6 6 PHE CD1 C 13 131.8808 0.03 . . . . . . . . . . 7097 1 74 . 1 1 6 6 PHE CE1 C 13 131.8573 0.03 . . . . . . . . . . 7097 1 75 . 1 1 6 6 PHE CZ C 13 130.8418 0.03 . . . . . . . . . . 7097 1 76 . 1 1 6 6 PHE N N 15 126.3500 0.03 . . . . . . . . . . 7097 1 77 . 1 1 7 7 THR H H 1 8.4800 0.005 . . . . . . . . . . 7097 1 78 . 1 1 7 7 THR HA H 1 4.6600 0.005 . . . . . . . . . . 7097 1 79 . 1 1 7 7 THR HB H 1 4.7600 0.005 . . . . . . . . . . 7097 1 80 . 1 1 7 7 THR HG21 H 1 1.4000 0.005 . . . . . . . . . . 7097 1 81 . 1 1 7 7 THR HG22 H 1 1.4000 0.005 . . . . . . . . . . 7097 1 82 . 1 1 7 7 THR HG23 H 1 1.4000 0.005 . . . . . . . . . . 7097 1 83 . 1 1 7 7 THR CA C 13 59.2600 0.03 . . . . . . . . . . 7097 1 84 . 1 1 7 7 THR CB C 13 68.8500 0.03 . . . . . . . . . . 7097 1 85 . 1 1 7 7 THR CG2 C 13 21.9200 0.03 . . . . . . . . . . 7097 1 86 . 1 1 7 7 THR N N 15 113.6600 0.03 . . . . . . . . . . 7097 1 87 . 1 1 8 8 PRO HA H 1 3.8900 0.005 . . . . . . . . . . 7097 1 88 . 1 1 8 8 PRO HB2 H 1 1.7800 0.005 . . . . . . . . . . 7097 1 89 . 1 1 8 8 PRO HB3 H 1 2.1800 0.005 . . . . . . . . . . 7097 1 90 . 1 1 8 8 PRO HG2 H 1 2.0000 0.005 . . . . . . . . . . 7097 1 91 . 1 1 8 8 PRO HG3 H 1 2.1100 0.005 . . . . . . . . . . 7097 1 92 . 1 1 8 8 PRO HD2 H 1 3.8400 0.005 . . . . . . . . . . 7097 1 93 . 1 1 8 8 PRO HD3 H 1 3.9100 0.005 . . . . . . . . . . 7097 1 94 . 1 1 8 8 PRO C C 13 177.6000 0.03 . . . . . . . . . . 7097 1 95 . 1 1 8 8 PRO CA C 13 65.7600 0.03 . . . . . . . . . . 7097 1 96 . 1 1 8 8 PRO CB C 13 31.5700 0.03 . . . . . . . . . . 7097 1 97 . 1 1 8 8 PRO CG C 13 27.9600 0.03 . . . . . . . . . . 7097 1 98 . 1 1 8 8 PRO CD C 13 50.2100 0.03 . . . . . . . . . . 7097 1 99 . 1 1 9 9 HIS H H 1 7.9400 0.005 . . . . . . . . . . 7097 1 100 . 1 1 9 9 HIS HA H 1 4.0400 0.005 . . . . . . . . . . 7097 1 101 . 1 1 9 9 HIS HB2 H 1 3.1300 0.005 . . . . . . . . . . 7097 1 102 . 1 1 9 9 HIS HB3 H 1 3.2200 0.005 . . . . . . . . . . 7097 1 103 . 1 1 9 9 HIS HD2 H 1 7.2662 0.005 . . . . . . . . . . 7097 1 104 . 1 1 9 9 HIS HE1 H 1 8.4219 0.005 . . . . . . . . . . 7097 1 105 . 1 1 9 9 HIS C C 13 177.2700 0.03 . . . . . . . . . . 7097 1 106 . 1 1 9 9 HIS CA C 13 59.7900 0.03 . . . . . . . . . . 7097 1 107 . 1 1 9 9 HIS CB C 13 28.8000 0.03 . . . . . . . . . . 7097 1 108 . 1 1 9 9 HIS CD2 C 13 119.8107 0.03 . . . . . . . . . . 7097 1 109 . 1 1 9 9 HIS CE1 C 13 137.3333 0.03 . . . . . . . . . . 7097 1 110 . 1 1 9 9 HIS N N 15 112.4700 0.03 . . . . . . . . . . 7097 1 111 . 1 1 10 10 PHE H H 1 7.9100 0.005 . . . . . . . . . . 7097 1 112 . 1 1 10 10 PHE HA H 1 4.1900 0.005 . . . . . . . . . . 7097 1 113 . 1 1 10 10 PHE HB2 H 1 3.1400 0.005 . . . . . . . . . . 7097 1 114 . 1 1 10 10 PHE HB3 H 1 3.2800 0.005 . . . . . . . . . . 7097 1 115 . 1 1 10 10 PHE HD1 H 1 6.9530 0.005 . . . . . . . . . . 7097 1 116 . 1 1 10 10 PHE HE1 H 1 7.0922 0.005 . . . . . . . . . . 7097 1 117 . 1 1 10 10 PHE HZ H 1 7.2886 0.005 . . . . . . . . . . 7097 1 118 . 1 1 10 10 PHE C C 13 176.3300 0.03 . . . . . . . . . . 7097 1 119 . 1 1 10 10 PHE CA C 13 61.1200 0.03 . . . . . . . . . . 7097 1 120 . 1 1 10 10 PHE CB C 13 39.5100 0.03 . . . . . . . . . . 7097 1 121 . 1 1 10 10 PHE CD1 C 13 131.6810 0.03 . . . . . . . . . . 7097 1 122 . 1 1 10 10 PHE CE1 C 13 131.6298 0.03 . . . . . . . . . . 7097 1 123 . 1 1 10 10 PHE CZ C 13 129.2313 0.03 . . . . . . . . . . 7097 1 124 . 1 1 10 10 PHE N N 15 121.5700 0.03 . . . . . . . . . . 7097 1 125 . 1 1 11 11 LYS H H 1 7.5100 0.005 . . . . . . . . . . 7097 1 126 . 1 1 11 11 LYS HA H 1 3.0300 0.005 . . . . . . . . . . 7097 1 127 . 1 1 11 11 LYS HB2 H 1 0.5400 0.005 . . . . . . . . . . 7097 1 128 . 1 1 11 11 LYS HB3 H 1 1.3600 0.005 . . . . . . . . . . 7097 1 129 . 1 1 11 11 LYS HG2 H 1 -0.3500 0.005 . . . . . . . . . . 7097 1 130 . 1 1 11 11 LYS HG3 H 1 0.7900 0.005 . . . . . . . . . . 7097 1 131 . 1 1 11 11 LYS HD2 H 1 -1.6800 0.005 . . . . . . . . . . 7097 1 132 . 1 1 11 11 LYS HD3 H 1 0.8800 0.005 . . . . . . . . . . 7097 1 133 . 1 1 11 11 LYS HE2 H 1 2.4400 0.005 . . . . . . . . . . 7097 1 134 . 1 1 11 11 LYS HE3 H 1 2.6500 0.005 . . . . . . . . . . 7097 1 135 . 1 1 11 11 LYS C C 13 178.4600 0.03 . . . . . . . . . . 7097 1 136 . 1 1 11 11 LYS CA C 13 59.7200 0.03 . . . . . . . . . . 7097 1 137 . 1 1 11 11 LYS CB C 13 32.8700 0.03 . . . . . . . . . . 7097 1 138 . 1 1 11 11 LYS CG C 13 29.8500 0.03 . . . . . . . . . . 7097 1 139 . 1 1 11 11 LYS CD C 13 24.5300 0.03 . . . . . . . . . . 7097 1 140 . 1 1 11 11 LYS CE C 13 43.1000 0.03 . . . . . . . . . . 7097 1 141 . 1 1 11 11 LYS N N 15 117.2100 0.03 . . . . . . . . . . 7097 1 142 . 1 1 12 12 LEU H H 1 7.8000 0.005 . . . . . . . . . . 7097 1 143 . 1 1 12 12 LEU HA H 1 3.8400 0.005 . . . . . . . . . . 7097 1 144 . 1 1 12 12 LEU HB2 H 1 1.3900 0.005 . . . . . . . . . . 7097 1 145 . 1 1 12 12 LEU HB3 H 1 1.6700 0.005 . . . . . . . . . . 7097 1 146 . 1 1 12 12 LEU HG H 1 1.6400 0.005 . . . . . . . . . . 7097 1 147 . 1 1 12 12 LEU HD11 H 1 0.7600 0.005 . . . . . . . . . . 7097 1 148 . 1 1 12 12 LEU HD12 H 1 0.7600 0.005 . . . . . . . . . . 7097 1 149 . 1 1 12 12 LEU HD13 H 1 0.7600 0.005 . . . . . . . . . . 7097 1 150 . 1 1 12 12 LEU HD21 H 1 0.7000 0.005 . . . . . . . . . . 7097 1 151 . 1 1 12 12 LEU HD22 H 1 0.7000 0.005 . . . . . . . . . . 7097 1 152 . 1 1 12 12 LEU HD23 H 1 0.7000 0.005 . . . . . . . . . . 7097 1 153 . 1 1 12 12 LEU C C 13 179.2500 0.03 . . . . . . . . . . 7097 1 154 . 1 1 12 12 LEU CA C 13 57.4000 0.03 . . . . . . . . . . 7097 1 155 . 1 1 12 12 LEU CB C 13 41.0800 0.03 . . . . . . . . . . 7097 1 156 . 1 1 12 12 LEU CG C 13 26.7600 0.03 . . . . . . . . . . 7097 1 157 . 1 1 12 12 LEU CD1 C 13 23.3300 0.03 . . . . . . . . . . 7097 1 158 . 1 1 12 12 LEU CD2 C 13 25.7100 0.03 . . . . . . . . . . 7097 1 159 . 1 1 12 12 LEU N N 15 114.7300 0.03 . . . . . . . . . . 7097 1 160 . 1 1 13 13 GLN H H 1 7.6500 0.005 . . . . . . . . . . 7097 1 161 . 1 1 13 13 GLN HA H 1 3.8700 0.005 . . . . . . . . . . 7097 1 162 . 1 1 13 13 GLN HB2 H 1 2.0200 0.005 . . . . . . . . . . 7097 1 163 . 1 1 13 13 GLN HB3 H 1 2.0200 0.005 . . . . . . . . . . 7097 1 164 . 1 1 13 13 GLN HG2 H 1 2.2300 0.005 . . . . . . . . . . 7097 1 165 . 1 1 13 13 GLN HG3 H 1 2.3100 0.005 . . . . . . . . . . 7097 1 166 . 1 1 13 13 GLN HE21 H 1 6.8922 0.005 . . . . . . . . . . 7097 1 167 . 1 1 13 13 GLN HE22 H 1 7.2007 0.005 . . . . . . . . . . 7097 1 168 . 1 1 13 13 GLN C C 13 178.7700 0.03 . . . . . . . . . . 7097 1 169 . 1 1 13 13 GLN CA C 13 58.8900 0.03 . . . . . . . . . . 7097 1 170 . 1 1 13 13 GLN CB C 13 27.9700 0.03 . . . . . . . . . . 7097 1 171 . 1 1 13 13 GLN CG C 13 33.7500 0.03 . . . . . . . . . . 7097 1 172 . 1 1 13 13 GLN N N 15 121.9600 0.03 . . . . . . . . . . 7097 1 173 . 1 1 13 13 GLN NE2 N 15 110.7349 0.03 . . . . . . . . . . 7097 1 174 . 1 1 14 14 VAL H H 1 7.5600 0.005 . . . . . . . . . . 7097 1 175 . 1 1 14 14 VAL HA H 1 2.7800 0.005 . . . . . . . . . . 7097 1 176 . 1 1 14 14 VAL HB H 1 1.9800 0.005 . . . . . . . . . . 7097 1 177 . 1 1 14 14 VAL HG11 H 1 -0.5000 0.005 . . . . . . . . . . 7097 1 178 . 1 1 14 14 VAL HG12 H 1 -0.5000 0.005 . . . . . . . . . . 7097 1 179 . 1 1 14 14 VAL HG13 H 1 -0.5000 0.005 . . . . . . . . . . 7097 1 180 . 1 1 14 14 VAL HG21 H 1 0.5100 0.005 . . . . . . . . . . 7097 1 181 . 1 1 14 14 VAL HG22 H 1 0.5100 0.005 . . . . . . . . . . 7097 1 182 . 1 1 14 14 VAL HG23 H 1 0.5100 0.005 . . . . . . . . . . 7097 1 183 . 1 1 14 14 VAL C C 13 178.2400 0.03 . . . . . . . . . . 7097 1 184 . 1 1 14 14 VAL CA C 13 66.5200 0.03 . . . . . . . . . . 7097 1 185 . 1 1 14 14 VAL CB C 13 30.3100 0.03 . . . . . . . . . . 7097 1 186 . 1 1 14 14 VAL CG1 C 13 21.3900 0.03 . . . . . . . . . . 7097 1 187 . 1 1 14 14 VAL CG2 C 13 21.5500 0.03 . . . . . . . . . . 7097 1 188 . 1 1 14 14 VAL N N 15 121.3300 0.03 . . . . . . . . . . 7097 1 189 . 1 1 15 15 LEU H H 1 7.8200 0.005 . . . . . . . . . . 7097 1 190 . 1 1 15 15 LEU HA H 1 3.9800 0.005 . . . . . . . . . . 7097 1 191 . 1 1 15 15 LEU HB2 H 1 1.3600 0.005 . . . . . . . . . . 7097 1 192 . 1 1 15 15 LEU HB3 H 1 1.8700 0.005 . . . . . . . . . . 7097 1 193 . 1 1 15 15 LEU HG H 1 2.0200 0.005 . . . . . . . . . . 7097 1 194 . 1 1 15 15 LEU HD11 H 1 0.7600 0.005 . . . . . . . . . . 7097 1 195 . 1 1 15 15 LEU HD12 H 1 0.7600 0.005 . . . . . . . . . . 7097 1 196 . 1 1 15 15 LEU HD13 H 1 0.7600 0.005 . . . . . . . . . . 7097 1 197 . 1 1 15 15 LEU HD21 H 1 0.7700 0.005 . . . . . . . . . . 7097 1 198 . 1 1 15 15 LEU HD22 H 1 0.7700 0.005 . . . . . . . . . . 7097 1 199 . 1 1 15 15 LEU HD23 H 1 0.7700 0.005 . . . . . . . . . . 7097 1 200 . 1 1 15 15 LEU C C 13 179.0900 0.03 . . . . . . . . . . 7097 1 201 . 1 1 15 15 LEU CA C 13 57.8800 0.03 . . . . . . . . . . 7097 1 202 . 1 1 15 15 LEU CB C 13 40.7900 0.03 . . . . . . . . . . 7097 1 203 . 1 1 15 15 LEU CG C 13 26.0100 0.03 . . . . . . . . . . 7097 1 204 . 1 1 15 15 LEU CD1 C 13 21.6300 0.03 . . . . . . . . . . 7097 1 205 . 1 1 15 15 LEU CD2 C 13 25.1800 0.03 . . . . . . . . . . 7097 1 206 . 1 1 15 15 LEU N N 15 117.8200 0.03 . . . . . . . . . . 7097 1 207 . 1 1 16 16 GLU H H 1 8.3100 0.005 . . . . . . . . . . 7097 1 208 . 1 1 16 16 GLU HA H 1 4.0700 0.005 . . . . . . . . . . 7097 1 209 . 1 1 16 16 GLU HB2 H 1 2.1300 0.005 . . . . . . . . . . 7097 1 210 . 1 1 16 16 GLU HB3 H 1 2.1300 0.005 . . . . . . . . . . 7097 1 211 . 1 1 16 16 GLU HG2 H 1 2.3100 0.005 . . . . . . . . . . 7097 1 212 . 1 1 16 16 GLU HG3 H 1 2.3100 0.005 . . . . . . . . . . 7097 1 213 . 1 1 16 16 GLU C C 13 180.1100 0.03 . . . . . . . . . . 7097 1 214 . 1 1 16 16 GLU CA C 13 59.4000 0.03 . . . . . . . . . . 7097 1 215 . 1 1 16 16 GLU CB C 13 28.7100 0.03 . . . . . . . . . . 7097 1 216 . 1 1 16 16 GLU CG C 13 36.0100 0.03 . . . . . . . . . . 7097 1 217 . 1 1 16 16 GLU N N 15 119.0800 0.03 . . . . . . . . . . 7097 1 218 . 1 1 17 17 SER H H 1 8.1600 0.005 . . . . . . . . . . 7097 1 219 . 1 1 17 17 SER HA H 1 4.2400 0.005 . . . . . . . . . . 7097 1 220 . 1 1 17 17 SER HB2 H 1 3.9300 0.005 . . . . . . . . . . 7097 1 221 . 1 1 17 17 SER HB3 H 1 4.3900 0.005 . . . . . . . . . . 7097 1 222 . 1 1 17 17 SER C C 13 175.4800 0.03 . . . . . . . . . . 7097 1 223 . 1 1 17 17 SER CA C 13 63.1500 0.03 . . . . . . . . . . 7097 1 224 . 1 1 17 17 SER CB C 13 63.1800 0.03 . . . . . . . . . . 7097 1 225 . 1 1 17 17 SER N N 15 118.5800 0.03 . . . . . . . . . . 7097 1 226 . 1 1 18 18 TYR H H 1 8.1800 0.005 . . . . . . . . . . 7097 1 227 . 1 1 18 18 TYR HA H 1 4.3000 0.005 . . . . . . . . . . 7097 1 228 . 1 1 18 18 TYR HB2 H 1 3.1600 0.005 . . . . . . . . . . 7097 1 229 . 1 1 18 18 TYR HB3 H 1 3.3900 0.005 . . . . . . . . . . 7097 1 230 . 1 1 18 18 TYR HD1 H 1 6.9620 0.005 . . . . . . . . . . 7097 1 231 . 1 1 18 18 TYR HE1 H 1 6.6492 0.005 . . . . . . . . . . 7097 1 232 . 1 1 18 18 TYR C C 13 176.0000 0.03 . . . . . . . . . . 7097 1 233 . 1 1 18 18 TYR CA C 13 60.1200 0.03 . . . . . . . . . . 7097 1 234 . 1 1 18 18 TYR CB C 13 38.1600 0.03 . . . . . . . . . . 7097 1 235 . 1 1 18 18 TYR CD1 C 13 132.4294 0.03 . . . . . . . . . . 7097 1 236 . 1 1 18 18 TYR CE1 C 13 118.2870 0.03 . . . . . . . . . . 7097 1 237 . 1 1 18 18 TYR N N 15 120.4000 0.03 . . . . . . . . . . 7097 1 238 . 1 1 19 19 ARG H H 1 7.5500 0.005 . . . . . . . . . . 7097 1 239 . 1 1 19 19 ARG HA H 1 4.1200 0.005 . . . . . . . . . . 7097 1 240 . 1 1 19 19 ARG HB2 H 1 1.7800 0.005 . . . . . . . . . . 7097 1 241 . 1 1 19 19 ARG HB3 H 1 1.7800 0.005 . . . . . . . . . . 7097 1 242 . 1 1 19 19 ARG HG2 H 1 1.6000 0.005 . . . . . . . . . . 7097 1 243 . 1 1 19 19 ARG HG3 H 1 1.8400 0.005 . . . . . . . . . . 7097 1 244 . 1 1 19 19 ARG HD2 H 1 3.0800 0.005 . . . . . . . . . . 7097 1 245 . 1 1 19 19 ARG HD3 H 1 3.2100 0.005 . . . . . . . . . . 7097 1 246 . 1 1 19 19 ARG HE H 1 7.3475 0.005 . . . . . . . . . . 7097 1 247 . 1 1 19 19 ARG C C 13 177.8600 0.03 . . . . . . . . . . 7097 1 248 . 1 1 19 19 ARG CA C 13 58.0100 0.03 . . . . . . . . . . 7097 1 249 . 1 1 19 19 ARG CB C 13 31.8600 0.03 . . . . . . . . . . 7097 1 250 . 1 1 19 19 ARG CG C 13 29.3300 0.03 . . . . . . . . . . 7097 1 251 . 1 1 19 19 ARG CD C 13 43.2400 0.03 . . . . . . . . . . 7097 1 252 . 1 1 19 19 ARG N N 15 115.0700 0.03 . . . . . . . . . . 7097 1 253 . 1 1 19 19 ARG NE N 15 83.7966 0.03 . . . . . . . . . . 7097 1 254 . 1 1 20 20 ASN H H 1 8.1300 0.005 . . . . . . . . . . 7097 1 255 . 1 1 20 20 ASN HA H 1 4.9500 0.005 . . . . . . . . . . 7097 1 256 . 1 1 20 20 ASN HB2 H 1 2.7300 0.005 . . . . . . . . . . 7097 1 257 . 1 1 20 20 ASN HB3 H 1 2.7300 0.005 . . . . . . . . . . 7097 1 258 . 1 1 20 20 ASN HD21 H 1 6.9312 0.005 . . . . . . . . . . 7097 1 259 . 1 1 20 20 ASN HD22 H 1 7.6958 0.005 . . . . . . . . . . 7097 1 260 . 1 1 20 20 ASN C C 13 175.6900 0.03 . . . . . . . . . . 7097 1 261 . 1 1 20 20 ASN CA C 13 54.6100 0.03 . . . . . . . . . . 7097 1 262 . 1 1 20 20 ASN CB C 13 42.8400 0.03 . . . . . . . . . . 7097 1 263 . 1 1 20 20 ASN N N 15 113.5800 0.03 . . . . . . . . . . 7097 1 264 . 1 1 20 20 ASN ND2 N 15 115.2804 0.03 . . . . . . . . . . 7097 1 265 . 1 1 21 21 ASP H H 1 9.0200 0.005 . . . . . . . . . . 7097 1 266 . 1 1 21 21 ASP HA H 1 4.6400 0.005 . . . . . . . . . . 7097 1 267 . 1 1 21 21 ASP HB2 H 1 3.0200 0.005 . . . . . . . . . . 7097 1 268 . 1 1 21 21 ASP HB3 H 1 3.2700 0.005 . . . . . . . . . . 7097 1 269 . 1 1 21 21 ASP C C 13 177.2900 0.03 . . . . . . . . . . 7097 1 270 . 1 1 21 21 ASP CA C 13 55.4200 0.03 . . . . . . . . . . 7097 1 271 . 1 1 21 21 ASP CB C 13 41.0300 0.03 . . . . . . . . . . 7097 1 272 . 1 1 21 21 ASP N N 15 123.7800 0.03 . . . . . . . . . . 7097 1 273 . 1 1 22 22 ASN H H 1 9.0200 0.005 . . . . . . . . . . 7097 1 274 . 1 1 22 22 ASN HA H 1 4.2400 0.005 . . . . . . . . . . 7097 1 275 . 1 1 22 22 ASN HB2 H 1 2.8000 0.005 . . . . . . . . . . 7097 1 276 . 1 1 22 22 ASN HB3 H 1 2.8000 0.005 . . . . . . . . . . 7097 1 277 . 1 1 22 22 ASN HD21 H 1 6.9580 0.005 . . . . . . . . . . 7097 1 278 . 1 1 22 22 ASN HD22 H 1 7.6355 0.005 . . . . . . . . . . 7097 1 279 . 1 1 22 22 ASN C C 13 175.9600 0.03 . . . . . . . . . . 7097 1 280 . 1 1 22 22 ASN CA C 13 56.5300 0.03 . . . . . . . . . . 7097 1 281 . 1 1 22 22 ASN CB C 13 38.5700 0.03 . . . . . . . . . . 7097 1 282 . 1 1 22 22 ASN N N 15 121.5500 0.03 . . . . . . . . . . 7097 1 283 . 1 1 22 22 ASN ND2 N 15 112.6510 0.03 . . . . . . . . . . 7097 1 284 . 1 1 23 23 ASP H H 1 8.8000 0.005 . . . . . . . . . . 7097 1 285 . 1 1 23 23 ASP HA H 1 4.4800 0.005 . . . . . . . . . . 7097 1 286 . 1 1 23 23 ASP HB2 H 1 2.6700 0.005 . . . . . . . . . . 7097 1 287 . 1 1 23 23 ASP HB3 H 1 2.7000 0.005 . . . . . . . . . . 7097 1 288 . 1 1 23 23 ASP C C 13 177.0400 0.03 . . . . . . . . . . 7097 1 289 . 1 1 23 23 ASP CA C 13 54.8700 0.03 . . . . . . . . . . 7097 1 290 . 1 1 23 23 ASP CB C 13 40.0000 0.03 . . . . . . . . . . 7097 1 291 . 1 1 23 23 ASP N N 15 113.8700 0.03 . . . . . . . . . . 7097 1 292 . 1 1 24 24 CYS H H 1 7.5600 0.005 . . . . . . . . . . 7097 1 293 . 1 1 24 24 CYS HA H 1 4.7300 0.005 . . . . . . . . . . 7097 1 294 . 1 1 24 24 CYS HB2 H 1 2.4500 0.005 . . . . . . . . . . 7097 1 295 . 1 1 24 24 CYS HB3 H 1 3.2900 0.005 . . . . . . . . . . 7097 1 296 . 1 1 24 24 CYS C C 13 172.8000 0.03 . . . . . . . . . . 7097 1 297 . 1 1 24 24 CYS CA C 13 57.4600 0.03 . . . . . . . . . . 7097 1 298 . 1 1 24 24 CYS CB C 13 29.8800 0.03 . . . . . . . . . . 7097 1 299 . 1 1 24 24 CYS N N 15 113.6100 0.03 . . . . . . . . . . 7097 1 300 . 1 1 25 25 LYS H H 1 7.9300 0.005 . . . . . . . . . . 7097 1 301 . 1 1 25 25 LYS HA H 1 4.0900 0.005 . . . . . . . . . . 7097 1 302 . 1 1 25 25 LYS HB2 H 1 1.5100 0.005 . . . . . . . . . . 7097 1 303 . 1 1 25 25 LYS HB3 H 1 1.6700 0.005 . . . . . . . . . . 7097 1 304 . 1 1 25 25 LYS HG2 H 1 1.0600 0.005 . . . . . . . . . . 7097 1 305 . 1 1 25 25 LYS HG3 H 1 1.1800 0.005 . . . . . . . . . . 7097 1 306 . 1 1 25 25 LYS HD2 H 1 1.3700 0.005 . . . . . . . . . . 7097 1 307 . 1 1 25 25 LYS HD3 H 1 1.4000 0.005 . . . . . . . . . . 7097 1 308 . 1 1 25 25 LYS HE2 H 1 2.8900 0.005 . . . . . . . . . . 7097 1 309 . 1 1 25 25 LYS HE3 H 1 2.8900 0.005 . . . . . . . . . . 7097 1 310 . 1 1 25 25 LYS C C 13 178.4400 0.03 . . . . . . . . . . 7097 1 311 . 1 1 25 25 LYS CA C 13 56.8600 0.03 . . . . . . . . . . 7097 1 312 . 1 1 25 25 LYS CB C 13 31.5200 0.03 . . . . . . . . . . 7097 1 313 . 1 1 25 25 LYS CG C 13 23.2900 0.03 . . . . . . . . . . 7097 1 314 . 1 1 25 25 LYS CD C 13 29.8800 0.03 . . . . . . . . . . 7097 1 315 . 1 1 25 25 LYS CE C 13 42.1700 0.03 . . . . . . . . . . 7097 1 316 . 1 1 25 25 LYS N N 15 121.3400 0.03 . . . . . . . . . . 7097 1 317 . 1 1 26 26 GLY H H 1 8.6600 0.005 . . . . . . . . . . 7097 1 318 . 1 1 26 26 GLY HA2 H 1 3.0400 0.005 . . . . . . . . . . 7097 1 319 . 1 1 26 26 GLY HA3 H 1 3.8100 0.005 . . . . . . . . . . 7097 1 320 . 1 1 26 26 GLY C C 13 172.7800 0.03 . . . . . . . . . . 7097 1 321 . 1 1 26 26 GLY CA C 13 45.7800 0.03 . . . . . . . . . . 7097 1 322 . 1 1 26 26 GLY N N 15 109.9800 0.03 . . . . . . . . . . 7097 1 323 . 1 1 27 27 ASN H H 1 7.9500 0.005 . . . . . . . . . . 7097 1 324 . 1 1 27 27 ASN HA H 1 5.3700 0.005 . . . . . . . . . . 7097 1 325 . 1 1 27 27 ASN HB2 H 1 2.4600 0.005 . . . . . . . . . . 7097 1 326 . 1 1 27 27 ASN HB3 H 1 3.0400 0.005 . . . . . . . . . . 7097 1 327 . 1 1 27 27 ASN C C 13 177.2800 0.03 . . . . . . . . . . 7097 1 328 . 1 1 27 27 ASN CA C 13 51.0500 0.03 . . . . . . . . . . 7097 1 329 . 1 1 27 27 ASN CB C 13 39.5100 0.03 . . . . . . . . . . 7097 1 330 . 1 1 27 27 ASN N N 15 117.5400 0.03 . . . . . . . . . . 7097 1 331 . 1 1 28 28 GLN H H 1 10.8700 0.005 . . . . . . . . . . 7097 1 332 . 1 1 28 28 GLN HA H 1 3.7700 0.005 . . . . . . . . . . 7097 1 333 . 1 1 28 28 GLN HB2 H 1 1.6200 0.005 . . . . . . . . . . 7097 1 334 . 1 1 28 28 GLN HB3 H 1 2.6200 0.005 . . . . . . . . . . 7097 1 335 . 1 1 28 28 GLN HG2 H 1 1.7100 0.005 . . . . . . . . . . 7097 1 336 . 1 1 28 28 GLN HG3 H 1 2.9200 0.005 . . . . . . . . . . 7097 1 337 . 1 1 28 28 GLN HE21 H 1 6.2176 0.005 . . . . . . . . . . 7097 1 338 . 1 1 28 28 GLN HE22 H 1 7.7603 0.005 . . . . . . . . . . 7097 1 339 . 1 1 28 28 GLN C C 13 178.3500 0.03 . . . . . . . . . . 7097 1 340 . 1 1 28 28 GLN CA C 13 59.7300 0.03 . . . . . . . . . . 7097 1 341 . 1 1 28 28 GLN CB C 13 28.3700 0.03 . . . . . . . . . . 7097 1 342 . 1 1 28 28 GLN CG C 13 33.2700 0.03 . . . . . . . . . . 7097 1 343 . 1 1 28 28 GLN N N 15 129.4400 0.03 . . . . . . . . . . 7097 1 344 . 1 1 28 28 GLN NE2 N 15 107.1964 0.03 . . . . . . . . . . 7097 1 345 . 1 1 29 29 ARG H H 1 8.5000 0.005 . . . . . . . . . . 7097 1 346 . 1 1 29 29 ARG HA H 1 3.7400 0.005 . . . . . . . . . . 7097 1 347 . 1 1 29 29 ARG HB2 H 1 1.9100 0.005 . . . . . . . . . . 7097 1 348 . 1 1 29 29 ARG HB3 H 1 2.0300 0.005 . . . . . . . . . . 7097 1 349 . 1 1 29 29 ARG HG2 H 1 1.6100 0.005 . . . . . . . . . . 7097 1 350 . 1 1 29 29 ARG HG3 H 1 1.9100 0.005 . . . . . . . . . . 7097 1 351 . 1 1 29 29 ARG HD2 H 1 3.0300 0.005 . . . . . . . . . . 7097 1 352 . 1 1 29 29 ARG HD3 H 1 3.3500 0.005 . . . . . . . . . . 7097 1 353 . 1 1 29 29 ARG C C 13 179.7100 0.03 . . . . . . . . . . 7097 1 354 . 1 1 29 29 ARG CA C 13 60.9800 0.03 . . . . . . . . . . 7097 1 355 . 1 1 29 29 ARG CB C 13 29.8100 0.03 . . . . . . . . . . 7097 1 356 . 1 1 29 29 ARG CG C 13 31.2500 0.03 . . . . . . . . . . 7097 1 357 . 1 1 29 29 ARG CD C 13 43.4200 0.03 . . . . . . . . . . 7097 1 358 . 1 1 29 29 ARG N N 15 120.7200 0.03 . . . . . . . . . . 7097 1 359 . 1 1 30 30 ALA H H 1 8.4000 0.005 . . . . . . . . . . 7097 1 360 . 1 1 30 30 ALA HA H 1 3.9700 0.005 . . . . . . . . . . 7097 1 361 . 1 1 30 30 ALA HB1 H 1 1.4600 0.005 . . . . . . . . . . 7097 1 362 . 1 1 30 30 ALA HB2 H 1 1.4600 0.005 . . . . . . . . . . 7097 1 363 . 1 1 30 30 ALA HB3 H 1 1.4600 0.005 . . . . . . . . . . 7097 1 364 . 1 1 30 30 ALA C C 13 181.0500 0.03 . . . . . . . . . . 7097 1 365 . 1 1 30 30 ALA CA C 13 54.3400 0.03 . . . . . . . . . . 7097 1 366 . 1 1 30 30 ALA CB C 13 18.8200 0.03 . . . . . . . . . . 7097 1 367 . 1 1 30 30 ALA N N 15 121.4100 0.03 . . . . . . . . . . 7097 1 368 . 1 1 31 31 THR H H 1 8.4300 0.005 . . . . . . . . . . 7097 1 369 . 1 1 31 31 THR HA H 1 4.0600 0.005 . . . . . . . . . . 7097 1 370 . 1 1 31 31 THR HB H 1 4.2900 0.005 . . . . . . . . . . 7097 1 371 . 1 1 31 31 THR HG21 H 1 1.3100 0.005 . . . . . . . . . . 7097 1 372 . 1 1 31 31 THR HG22 H 1 1.3100 0.005 . . . . . . . . . . 7097 1 373 . 1 1 31 31 THR HG23 H 1 1.3100 0.005 . . . . . . . . . . 7097 1 374 . 1 1 31 31 THR C C 13 175.7000 0.03 . . . . . . . . . . 7097 1 375 . 1 1 31 31 THR CA C 13 67.7900 0.03 . . . . . . . . . . 7097 1 376 . 1 1 31 31 THR CB C 13 67.7300 0.03 . . . . . . . . . . 7097 1 377 . 1 1 31 31 THR CG2 C 13 22.6700 0.03 . . . . . . . . . . 7097 1 378 . 1 1 31 31 THR N N 15 119.0100 0.03 . . . . . . . . . . 7097 1 379 . 1 1 32 32 ALA H H 1 8.4300 0.005 . . . . . . . . . . 7097 1 380 . 1 1 32 32 ALA HA H 1 3.8100 0.005 . . . . . . . . . . 7097 1 381 . 1 1 32 32 ALA HB1 H 1 1.3200 0.005 . . . . . . . . . . 7097 1 382 . 1 1 32 32 ALA HB2 H 1 1.3200 0.005 . . . . . . . . . . 7097 1 383 . 1 1 32 32 ALA HB3 H 1 1.3200 0.005 . . . . . . . . . . 7097 1 384 . 1 1 32 32 ALA C C 13 179.8600 0.03 . . . . . . . . . . 7097 1 385 . 1 1 32 32 ALA CA C 13 55.2300 0.03 . . . . . . . . . . 7097 1 386 . 1 1 32 32 ALA CB C 13 16.5000 0.03 . . . . . . . . . . 7097 1 387 . 1 1 32 32 ALA N N 15 123.7000 0.03 . . . . . . . . . . 7097 1 388 . 1 1 33 33 ARG H H 1 7.9000 0.005 . . . . . . . . . . 7097 1 389 . 1 1 33 33 ARG HA H 1 4.1600 0.005 . . . . . . . . . . 7097 1 390 . 1 1 33 33 ARG HB2 H 1 1.7600 0.005 . . . . . . . . . . 7097 1 391 . 1 1 33 33 ARG HB3 H 1 2.0300 0.005 . . . . . . . . . . 7097 1 392 . 1 1 33 33 ARG HG2 H 1 1.5200 0.005 . . . . . . . . . . 7097 1 393 . 1 1 33 33 ARG HG3 H 1 1.9900 0.005 . . . . . . . . . . 7097 1 394 . 1 1 33 33 ARG HD2 H 1 3.1200 0.005 . . . . . . . . . . 7097 1 395 . 1 1 33 33 ARG HD3 H 1 3.4200 0.005 . . . . . . . . . . 7097 1 396 . 1 1 33 33 ARG HE H 1 7.4102 0.005 . . . . . . . . . . 7097 1 397 . 1 1 33 33 ARG C C 13 179.8800 0.03 . . . . . . . . . . 7097 1 398 . 1 1 33 33 ARG CA C 13 59.8800 0.03 . . . . . . . . . . 7097 1 399 . 1 1 33 33 ARG CB C 13 31.2400 0.03 . . . . . . . . . . 7097 1 400 . 1 1 33 33 ARG CG C 13 28.8800 0.03 . . . . . . . . . . 7097 1 401 . 1 1 33 33 ARG CD C 13 44.0600 0.03 . . . . . . . . . . 7097 1 402 . 1 1 33 33 ARG N N 15 115.7400 0.03 . . . . . . . . . . 7097 1 403 . 1 1 33 33 ARG NE N 15 81.7416 0.03 . . . . . . . . . . 7097 1 404 . 1 1 34 34 LYS H H 1 7.7700 0.005 . . . . . . . . . . 7097 1 405 . 1 1 34 34 LYS HA H 1 3.9000 0.005 . . . . . . . . . . 7097 1 406 . 1 1 34 34 LYS HB2 H 1 1.7700 0.005 . . . . . . . . . . 7097 1 407 . 1 1 34 34 LYS HB3 H 1 2.1000 0.005 . . . . . . . . . . 7097 1 408 . 1 1 34 34 LYS HG2 H 1 0.5600 0.005 . . . . . . . . . . 7097 1 409 . 1 1 34 34 LYS HG3 H 1 1.1300 0.005 . . . . . . . . . . 7097 1 410 . 1 1 34 34 LYS HD2 H 1 1.5800 0.005 . . . . . . . . . . 7097 1 411 . 1 1 34 34 LYS HD3 H 1 1.5800 0.005 . . . . . . . . . . 7097 1 412 . 1 1 34 34 LYS HE2 H 1 2.7500 0.005 . . . . . . . . . . 7097 1 413 . 1 1 34 34 LYS HE3 H 1 2.8400 0.005 . . . . . . . . . . 7097 1 414 . 1 1 34 34 LYS C C 13 177.5800 0.03 . . . . . . . . . . 7097 1 415 . 1 1 34 34 LYS CA C 13 59.4900 0.03 . . . . . . . . . . 7097 1 416 . 1 1 34 34 LYS CB C 13 32.3300 0.03 . . . . . . . . . . 7097 1 417 . 1 1 34 34 LYS CG C 13 25.1900 0.03 . . . . . . . . . . 7097 1 418 . 1 1 34 34 LYS CD C 13 30.9700 0.03 . . . . . . . . . . 7097 1 419 . 1 1 34 34 LYS CE C 13 42.0400 0.03 . . . . . . . . . . 7097 1 420 . 1 1 34 34 LYS N N 15 119.8600 0.03 . . . . . . . . . . 7097 1 421 . 1 1 35 35 TYR H H 1 7.3500 0.005 . . . . . . . . . . 7097 1 422 . 1 1 35 35 TYR HA H 1 4.4500 0.005 . . . . . . . . . . 7097 1 423 . 1 1 35 35 TYR HB2 H 1 2.4400 0.005 . . . . . . . . . . 7097 1 424 . 1 1 35 35 TYR HB3 H 1 3.4800 0.005 . . . . . . . . . . 7097 1 425 . 1 1 35 35 TYR HD1 H 1 7.4368 0.005 . . . . . . . . . . 7097 1 426 . 1 1 35 35 TYR HE1 H 1 6.6532 0.005 . . . . . . . . . . 7097 1 427 . 1 1 35 35 TYR C C 13 174.0300 0.03 . . . . . . . . . . 7097 1 428 . 1 1 35 35 TYR CA C 13 59.4800 0.03 . . . . . . . . . . 7097 1 429 . 1 1 35 35 TYR CB C 13 39.7200 0.03 . . . . . . . . . . 7097 1 430 . 1 1 35 35 TYR CD1 C 13 133.7910 0.03 . . . . . . . . . . 7097 1 431 . 1 1 35 35 TYR CE1 C 13 116.9318 0.03 . . . . . . . . . . 7097 1 432 . 1 1 35 35 TYR N N 15 113.2400 0.03 . . . . . . . . . . 7097 1 433 . 1 1 36 36 ASN H H 1 8.0800 0.005 . . . . . . . . . . 7097 1 434 . 1 1 36 36 ASN HA H 1 4.4800 0.005 . . . . . . . . . . 7097 1 435 . 1 1 36 36 ASN HB2 H 1 2.7700 0.005 . . . . . . . . . . 7097 1 436 . 1 1 36 36 ASN HB3 H 1 3.3500 0.005 . . . . . . . . . . 7097 1 437 . 1 1 36 36 ASN HD21 H 1 6.8629 0.005 . . . . . . . . . . 7097 1 438 . 1 1 36 36 ASN HD22 H 1 7.6114 0.005 . . . . . . . . . . 7097 1 439 . 1 1 36 36 ASN C C 13 174.4400 0.03 . . . . . . . . . . 7097 1 440 . 1 1 36 36 ASN CA C 13 54.4500 0.03 . . . . . . . . . . 7097 1 441 . 1 1 36 36 ASN CB C 13 37.4200 0.03 . . . . . . . . . . 7097 1 442 . 1 1 36 36 ASN N N 15 118.1700 0.03 . . . . . . . . . . 7097 1 443 . 1 1 36 36 ASN ND2 N 15 111.3104 0.03 . . . . . . . . . . 7097 1 444 . 1 1 37 37 ILE H H 1 8.0400 0.005 . . . . . . . . . . 7097 1 445 . 1 1 37 37 ILE HA H 1 4.7400 0.005 . . . . . . . . . . 7097 1 446 . 1 1 37 37 ILE HB H 1 2.2200 0.005 . . . . . . . . . . 7097 1 447 . 1 1 37 37 ILE HG12 H 1 0.9800 0.005 . . . . . . . . . . 7097 1 448 . 1 1 37 37 ILE HG13 H 1 1.0800 0.005 . . . . . . . . . . 7097 1 449 . 1 1 37 37 ILE HG21 H 1 1.0300 0.005 . . . . . . . . . . 7097 1 450 . 1 1 37 37 ILE HG22 H 1 1.0300 0.005 . . . . . . . . . . 7097 1 451 . 1 1 37 37 ILE HG23 H 1 1.0300 0.005 . . . . . . . . . . 7097 1 452 . 1 1 37 37 ILE HD11 H 1 0.5100 0.005 . . . . . . . . . . 7097 1 453 . 1 1 37 37 ILE HD12 H 1 0.5100 0.005 . . . . . . . . . . 7097 1 454 . 1 1 37 37 ILE HD13 H 1 0.5100 0.005 . . . . . . . . . . 7097 1 455 . 1 1 37 37 ILE C C 13 173.7900 0.03 . . . . . . . . . . 7097 1 456 . 1 1 37 37 ILE CA C 13 59.5400 0.03 . . . . . . . . . . 7097 1 457 . 1 1 37 37 ILE CB C 13 41.1200 0.03 . . . . . . . . . . 7097 1 458 . 1 1 37 37 ILE CG1 C 13 25.3300 0.03 . . . . . . . . . . 7097 1 459 . 1 1 37 37 ILE CG2 C 13 18.0300 0.03 . . . . . . . . . . 7097 1 460 . 1 1 37 37 ILE CD1 C 13 15.2700 0.03 . . . . . . . . . . 7097 1 461 . 1 1 37 37 ILE N N 15 111.0900 0.03 . . . . . . . . . . 7097 1 462 . 1 1 38 38 HIS H H 1 9.7100 0.005 . . . . . . . . . . 7097 1 463 . 1 1 38 38 HIS HA H 1 4.3900 0.005 . . . . . . . . . . 7097 1 464 . 1 1 38 38 HIS HB2 H 1 3.2600 0.005 . . . . . . . . . . 7097 1 465 . 1 1 38 38 HIS HB3 H 1 3.2600 0.005 . . . . . . . . . . 7097 1 466 . 1 1 38 38 HIS HD2 H 1 7.4131 0.005 . . . . . . . . . . 7097 1 467 . 1 1 38 38 HIS HE1 H 1 8.1006 0.005 . . . . . . . . . . 7097 1 468 . 1 1 38 38 HIS C C 13 177.3500 0.03 . . . . . . . . . . 7097 1 469 . 1 1 38 38 HIS CA C 13 57.8500 0.03 . . . . . . . . . . 7097 1 470 . 1 1 38 38 HIS CB C 13 30.9700 0.03 . . . . . . . . . . 7097 1 471 . 1 1 38 38 HIS CD2 C 13 118.5733 0.03 . . . . . . . . . . 7097 1 472 . 1 1 38 38 HIS CE1 C 13 138.5244 0.03 . . . . . . . . . . 7097 1 473 . 1 1 38 38 HIS N N 15 121.8300 0.03 . . . . . . . . . . 7097 1 474 . 1 1 39 39 ARG H H 1 8.0400 0.005 . . . . . . . . . . 7097 1 475 . 1 1 39 39 ARG HA H 1 3.5900 0.005 . . . . . . . . . . 7097 1 476 . 1 1 39 39 ARG HB2 H 1 1.3800 0.005 . . . . . . . . . . 7097 1 477 . 1 1 39 39 ARG HB3 H 1 1.5300 0.005 . . . . . . . . . . 7097 1 478 . 1 1 39 39 ARG HG2 H 1 0.9300 0.005 . . . . . . . . . . 7097 1 479 . 1 1 39 39 ARG HG3 H 1 1.2500 0.005 . . . . . . . . . . 7097 1 480 . 1 1 39 39 ARG HD2 H 1 2.6700 0.005 . . . . . . . . . . 7097 1 481 . 1 1 39 39 ARG HD3 H 1 3.2100 0.005 . . . . . . . . . . 7097 1 482 . 1 1 39 39 ARG HE H 1 7.0897 0.005 . . . . . . . . . . 7097 1 483 . 1 1 39 39 ARG CA C 13 58.8500 0.03 . . . . . . . . . . 7097 1 484 . 1 1 39 39 ARG CB C 13 29.7900 0.03 . . . . . . . . . . 7097 1 485 . 1 1 39 39 ARG CG C 13 26.9500 0.03 . . . . . . . . . . 7097 1 486 . 1 1 39 39 ARG CD C 13 42.5300 0.03 . . . . . . . . . . 7097 1 487 . 1 1 39 39 ARG N N 15 123.9400 0.03 . . . . . . . . . . 7097 1 488 . 1 1 39 39 ARG NE N 15 80.7943 0.03 . . . . . . . . . . 7097 1 489 . 1 1 40 40 ARG HA H 1 3.9400 0.005 . . . . . . . . . . 7097 1 490 . 1 1 40 40 ARG HB2 H 1 1.3600 0.005 . . . . . . . . . . 7097 1 491 . 1 1 40 40 ARG HB3 H 1 1.5900 0.005 . . . . . . . . . . 7097 1 492 . 1 1 40 40 ARG HG2 H 1 1.2900 0.005 . . . . . . . . . . 7097 1 493 . 1 1 40 40 ARG HG3 H 1 1.4300 0.005 . . . . . . . . . . 7097 1 494 . 1 1 40 40 ARG HD2 H 1 2.4600 0.005 . . . . . . . . . . 7097 1 495 . 1 1 40 40 ARG HD3 H 1 3.3700 0.005 . . . . . . . . . . 7097 1 496 . 1 1 40 40 ARG HE H 1 8.0586 0.005 . . . . . . . . . . 7097 1 497 . 1 1 40 40 ARG C C 13 178.0000 0.03 . . . . . . . . . . 7097 1 498 . 1 1 40 40 ARG CA C 13 56.4700 0.03 . . . . . . . . . . 7097 1 499 . 1 1 40 40 ARG CB C 13 31.2000 0.03 . . . . . . . . . . 7097 1 500 . 1 1 40 40 ARG CG C 13 25.8100 0.03 . . . . . . . . . . 7097 1 501 . 1 1 40 40 ARG CD C 13 43.8600 0.03 . . . . . . . . . . 7097 1 502 . 1 1 40 40 ARG NE N 15 86.8481 0.03 . . . . . . . . . . 7097 1 503 . 1 1 41 41 GLN H H 1 7.3000 0.005 . . . . . . . . . . 7097 1 504 . 1 1 41 41 GLN HA H 1 3.3200 0.005 . . . . . . . . . . 7097 1 505 . 1 1 41 41 GLN HB2 H 1 -0.1200 0.005 . . . . . . . . . . 7097 1 506 . 1 1 41 41 GLN HB3 H 1 1.7800 0.005 . . . . . . . . . . 7097 1 507 . 1 1 41 41 GLN HG2 H 1 2.2900 0.005 . . . . . . . . . . 7097 1 508 . 1 1 41 41 GLN HG3 H 1 2.5900 0.005 . . . . . . . . . . 7097 1 509 . 1 1 41 41 GLN HE21 H 1 7.6496 0.005 . . . . . . . . . . 7097 1 510 . 1 1 41 41 GLN HE22 H 1 7.7819 0.005 . . . . . . . . . . 7097 1 511 . 1 1 41 41 GLN C C 13 176.2500 0.03 . . . . . . . . . . 7097 1 512 . 1 1 41 41 GLN CA C 13 58.9300 0.03 . . . . . . . . . . 7097 1 513 . 1 1 41 41 GLN CB C 13 27.8200 0.03 . . . . . . . . . . 7097 1 514 . 1 1 41 41 GLN CG C 13 38.5700 0.03 . . . . . . . . . . 7097 1 515 . 1 1 41 41 GLN N N 15 115.2200 0.03 . . . . . . . . . . 7097 1 516 . 1 1 41 41 GLN NE2 N 15 115.7251 0.03 . . . . . . . . . . 7097 1 517 . 1 1 42 42 ILE H H 1 6.1800 0.005 . . . . . . . . . . 7097 1 518 . 1 1 42 42 ILE HA H 1 3.0400 0.005 . . . . . . . . . . 7097 1 519 . 1 1 42 42 ILE HB H 1 1.5600 0.005 . . . . . . . . . . 7097 1 520 . 1 1 42 42 ILE HG12 H 1 0.8600 0.005 . . . . . . . . . . 7097 1 521 . 1 1 42 42 ILE HG13 H 1 1.2400 0.005 . . . . . . . . . . 7097 1 522 . 1 1 42 42 ILE HG21 H 1 0.3800 0.005 . . . . . . . . . . 7097 1 523 . 1 1 42 42 ILE HG22 H 1 0.3800 0.005 . . . . . . . . . . 7097 1 524 . 1 1 42 42 ILE HG23 H 1 0.3800 0.005 . . . . . . . . . . 7097 1 525 . 1 1 42 42 ILE HD11 H 1 0.4900 0.005 . . . . . . . . . . 7097 1 526 . 1 1 42 42 ILE HD12 H 1 0.4900 0.005 . . . . . . . . . . 7097 1 527 . 1 1 42 42 ILE HD13 H 1 0.4900 0.005 . . . . . . . . . . 7097 1 528 . 1 1 42 42 ILE C C 13 176.5100 0.03 . . . . . . . . . . 7097 1 529 . 1 1 42 42 ILE CA C 13 64.4200 0.03 . . . . . . . . . . 7097 1 530 . 1 1 42 42 ILE CB C 13 36.3200 0.03 . . . . . . . . . . 7097 1 531 . 1 1 42 42 ILE CG1 C 13 29.1100 0.03 . . . . . . . . . . 7097 1 532 . 1 1 42 42 ILE CG2 C 13 16.8800 0.03 . . . . . . . . . . 7097 1 533 . 1 1 42 42 ILE CD1 C 13 13.3400 0.03 . . . . . . . . . . 7097 1 534 . 1 1 42 42 ILE N N 15 114.0100 0.03 . . . . . . . . . . 7097 1 535 . 1 1 43 43 GLN H H 1 6.8300 0.005 . . . . . . . . . . 7097 1 536 . 1 1 43 43 GLN HA H 1 3.6500 0.005 . . . . . . . . . . 7097 1 537 . 1 1 43 43 GLN HB2 H 1 1.7800 0.005 . . . . . . . . . . 7097 1 538 . 1 1 43 43 GLN HB3 H 1 2.1500 0.005 . . . . . . . . . . 7097 1 539 . 1 1 43 43 GLN HG2 H 1 2.1500 0.005 . . . . . . . . . . 7097 1 540 . 1 1 43 43 GLN HG3 H 1 2.1900 0.005 . . . . . . . . . . 7097 1 541 . 1 1 43 43 GLN HE21 H 1 5.6686 0.005 . . . . . . . . . . 7097 1 542 . 1 1 43 43 GLN HE22 H 1 7.7766 0.005 . . . . . . . . . . 7097 1 543 . 1 1 43 43 GLN C C 13 179.3300 0.03 . . . . . . . . . . 7097 1 544 . 1 1 43 43 GLN CA C 13 59.0800 0.03 . . . . . . . . . . 7097 1 545 . 1 1 43 43 GLN CB C 13 28.1100 0.03 . . . . . . . . . . 7097 1 546 . 1 1 43 43 GLN CG C 13 33.8800 0.03 . . . . . . . . . . 7097 1 547 . 1 1 43 43 GLN N N 15 114.5600 0.03 . . . . . . . . . . 7097 1 548 . 1 1 43 43 GLN NE2 N 15 109.8371 0.03 . . . . . . . . . . 7097 1 549 . 1 1 44 44 LYS H H 1 7.9800 0.005 . . . . . . . . . . 7097 1 550 . 1 1 44 44 LYS HA H 1 4.0100 0.005 . . . . . . . . . . 7097 1 551 . 1 1 44 44 LYS HB2 H 1 1.9000 0.005 . . . . . . . . . . 7097 1 552 . 1 1 44 44 LYS HB3 H 1 1.9700 0.005 . . . . . . . . . . 7097 1 553 . 1 1 44 44 LYS HG2 H 1 1.4000 0.005 . . . . . . . . . . 7097 1 554 . 1 1 44 44 LYS HG3 H 1 1.5500 0.005 . . . . . . . . . . 7097 1 555 . 1 1 44 44 LYS HD2 H 1 1.5400 0.005 . . . . . . . . . . 7097 1 556 . 1 1 44 44 LYS HD3 H 1 1.6300 0.005 . . . . . . . . . . 7097 1 557 . 1 1 44 44 LYS HE2 H 1 2.7600 0.005 . . . . . . . . . . 7097 1 558 . 1 1 44 44 LYS HE3 H 1 2.8500 0.005 . . . . . . . . . . 7097 1 559 . 1 1 44 44 LYS C C 13 180.1800 0.03 . . . . . . . . . . 7097 1 560 . 1 1 44 44 LYS CA C 13 57.6200 0.03 . . . . . . . . . . 7097 1 561 . 1 1 44 44 LYS CB C 13 31.5900 0.03 . . . . . . . . . . 7097 1 562 . 1 1 44 44 LYS CG C 13 24.4300 0.03 . . . . . . . . . . 7097 1 563 . 1 1 44 44 LYS CD C 13 27.9500 0.03 . . . . . . . . . . 7097 1 564 . 1 1 44 44 LYS CE C 13 41.7600 0.03 . . . . . . . . . . 7097 1 565 . 1 1 44 44 LYS N N 15 117.1200 0.03 . . . . . . . . . . 7097 1 566 . 1 1 45 45 TRP H H 1 9.0500 0.005 . . . . . . . . . . 7097 1 567 . 1 1 45 45 TRP HA H 1 4.9300 0.005 . . . . . . . . . . 7097 1 568 . 1 1 45 45 TRP HB2 H 1 2.8900 0.005 . . . . . . . . . . 7097 1 569 . 1 1 45 45 TRP HB3 H 1 3.1000 0.005 . . . . . . . . . . 7097 1 570 . 1 1 45 45 TRP HD1 H 1 6.9367 0.005 . . . . . . . . . . 7097 1 571 . 1 1 45 45 TRP HE1 H 1 11.0890 0.005 . . . . . . . . . . 7097 1 572 . 1 1 45 45 TRP HE3 H 1 6.9634 0.005 . . . . . . . . . . 7097 1 573 . 1 1 45 45 TRP HZ2 H 1 7.4552 0.005 . . . . . . . . . . 7097 1 574 . 1 1 45 45 TRP HZ3 H 1 6.3774 0.005 . . . . . . . . . . 7097 1 575 . 1 1 45 45 TRP HH2 H 1 6.1221 0.005 . . . . . . . . . . 7097 1 576 . 1 1 45 45 TRP C C 13 178.6400 0.03 . . . . . . . . . . 7097 1 577 . 1 1 45 45 TRP CA C 13 57.5400 0.03 . . . . . . . . . . 7097 1 578 . 1 1 45 45 TRP CB C 13 27.9200 0.03 . . . . . . . . . . 7097 1 579 . 1 1 45 45 TRP CD1 C 13 125.3845 0.03 . . . . . . . . . . 7097 1 580 . 1 1 45 45 TRP CE3 C 13 119.5691 0.03 . . . . . . . . . . 7097 1 581 . 1 1 45 45 TRP CZ2 C 13 114.8036 0.03 . . . . . . . . . . 7097 1 582 . 1 1 45 45 TRP CZ3 C 13 121.0010 0.03 . . . . . . . . . . 7097 1 583 . 1 1 45 45 TRP CH2 C 13 122.7255 0.03 . . . . . . . . . . 7097 1 584 . 1 1 45 45 TRP N N 15 123.2200 0.03 . . . . . . . . . . 7097 1 585 . 1 1 45 45 TRP NE1 N 15 128.6320 0.03 . . . . . . . . . . 7097 1 586 . 1 1 46 46 LEU H H 1 8.0900 0.005 . . . . . . . . . . 7097 1 587 . 1 1 46 46 LEU HA H 1 4.0300 0.005 . . . . . . . . . . 7097 1 588 . 1 1 46 46 LEU HB2 H 1 1.4000 0.005 . . . . . . . . . . 7097 1 589 . 1 1 46 46 LEU HB3 H 1 1.9000 0.005 . . . . . . . . . . 7097 1 590 . 1 1 46 46 LEU HG H 1 1.6200 0.005 . . . . . . . . . . 7097 1 591 . 1 1 46 46 LEU HD11 H 1 0.8500 0.005 . . . . . . . . . . 7097 1 592 . 1 1 46 46 LEU HD12 H 1 0.8500 0.005 . . . . . . . . . . 7097 1 593 . 1 1 46 46 LEU HD13 H 1 0.8500 0.005 . . . . . . . . . . 7097 1 594 . 1 1 46 46 LEU HD21 H 1 0.4900 0.005 . . . . . . . . . . 7097 1 595 . 1 1 46 46 LEU HD22 H 1 0.4900 0.005 . . . . . . . . . . 7097 1 596 . 1 1 46 46 LEU HD23 H 1 0.4900 0.005 . . . . . . . . . . 7097 1 597 . 1 1 46 46 LEU C C 13 180.8700 0.03 . . . . . . . . . . 7097 1 598 . 1 1 46 46 LEU CA C 13 58.0300 0.03 . . . . . . . . . . 7097 1 599 . 1 1 46 46 LEU CB C 13 42.3300 0.03 . . . . . . . . . . 7097 1 600 . 1 1 46 46 LEU CG C 13 26.8600 0.03 . . . . . . . . . . 7097 1 601 . 1 1 46 46 LEU CD1 C 13 23.8400 0.03 . . . . . . . . . . 7097 1 602 . 1 1 46 46 LEU CD2 C 13 25.3100 0.03 . . . . . . . . . . 7097 1 603 . 1 1 46 46 LEU N N 15 118.0000 0.03 . . . . . . . . . . 7097 1 604 . 1 1 47 47 GLN H H 1 7.4000 0.005 . . . . . . . . . . 7097 1 605 . 1 1 47 47 GLN HA H 1 4.2400 0.005 . . . . . . . . . . 7097 1 606 . 1 1 47 47 GLN HB2 H 1 2.2800 0.005 . . . . . . . . . . 7097 1 607 . 1 1 47 47 GLN HB3 H 1 2.3300 0.005 . . . . . . . . . . 7097 1 608 . 1 1 47 47 GLN HG2 H 1 2.4900 0.005 . . . . . . . . . . 7097 1 609 . 1 1 47 47 GLN HG3 H 1 2.7100 0.005 . . . . . . . . . . 7097 1 610 . 1 1 47 47 GLN HE21 H 1 6.8289 0.005 . . . . . . . . . . 7097 1 611 . 1 1 47 47 GLN HE22 H 1 7.3627 0.005 . . . . . . . . . . 7097 1 612 . 1 1 47 47 GLN C C 13 177.6800 0.03 . . . . . . . . . . 7097 1 613 . 1 1 47 47 GLN CA C 13 58.0900 0.03 . . . . . . . . . . 7097 1 614 . 1 1 47 47 GLN CB C 13 28.4700 0.03 . . . . . . . . . . 7097 1 615 . 1 1 47 47 GLN CG C 13 33.9700 0.03 . . . . . . . . . . 7097 1 616 . 1 1 47 47 GLN N N 15 116.4300 0.03 . . . . . . . . . . 7097 1 617 . 1 1 47 47 GLN NE2 N 15 110.9574 0.03 . . . . . . . . . . 7097 1 618 . 1 1 48 48 CYS H H 1 7.8900 0.005 . . . . . . . . . . 7097 1 619 . 1 1 48 48 CYS HA H 1 5.1800 0.005 . . . . . . . . . . 7097 1 620 . 1 1 48 48 CYS HB2 H 1 3.0800 0.005 . . . . . . . . . . 7097 1 621 . 1 1 48 48 CYS HB3 H 1 3.2700 0.005 . . . . . . . . . . 7097 1 622 . 1 1 48 48 CYS C C 13 175.1300 0.03 . . . . . . . . . . 7097 1 623 . 1 1 48 48 CYS CA C 13 57.0600 0.03 . . . . . . . . . . 7097 1 624 . 1 1 48 48 CYS CB C 13 28.2000 0.03 . . . . . . . . . . 7097 1 625 . 1 1 48 48 CYS N N 15 114.2300 0.03 . . . . . . . . . . 7097 1 626 . 1 1 49 49 GLU H H 1 7.2800 0.005 . . . . . . . . . . 7097 1 627 . 1 1 49 49 GLU HA H 1 3.7200 0.005 . . . . . . . . . . 7097 1 628 . 1 1 49 49 GLU HB2 H 1 2.0000 0.005 . . . . . . . . . . 7097 1 629 . 1 1 49 49 GLU HB3 H 1 2.3200 0.005 . . . . . . . . . . 7097 1 630 . 1 1 49 49 GLU HG2 H 1 2.0900 0.005 . . . . . . . . . . 7097 1 631 . 1 1 49 49 GLU HG3 H 1 2.2200 0.005 . . . . . . . . . . 7097 1 632 . 1 1 49 49 GLU C C 13 177.5200 0.03 . . . . . . . . . . 7097 1 633 . 1 1 49 49 GLU CA C 13 60.9300 0.03 . . . . . . . . . . 7097 1 634 . 1 1 49 49 GLU CB C 13 29.5800 0.03 . . . . . . . . . . 7097 1 635 . 1 1 49 49 GLU CG C 13 36.0200 0.03 . . . . . . . . . . 7097 1 636 . 1 1 49 49 GLU N N 15 124.4100 0.03 . . . . . . . . . . 7097 1 637 . 1 1 50 50 SER H H 1 8.8100 0.005 . . . . . . . . . . 7097 1 638 . 1 1 50 50 SER HA H 1 4.1200 0.005 . . . . . . . . . . 7097 1 639 . 1 1 50 50 SER HB2 H 1 3.9000 0.005 . . . . . . . . . . 7097 1 640 . 1 1 50 50 SER HB3 H 1 3.9000 0.005 . . . . . . . . . . 7097 1 641 . 1 1 50 50 SER C C 13 177.0700 0.03 . . . . . . . . . . 7097 1 642 . 1 1 50 50 SER CA C 13 62.1200 0.03 . . . . . . . . . . 7097 1 643 . 1 1 50 50 SER CB C 13 62.1400 0.03 . . . . . . . . . . 7097 1 644 . 1 1 50 50 SER N N 15 112.6600 0.03 . . . . . . . . . . 7097 1 645 . 1 1 51 51 ASN H H 1 7.8000 0.005 . . . . . . . . . . 7097 1 646 . 1 1 51 51 ASN HA H 1 4.5300 0.005 . . . . . . . . . . 7097 1 647 . 1 1 51 51 ASN HB2 H 1 2.8900 0.005 . . . . . . . . . . 7097 1 648 . 1 1 51 51 ASN HB3 H 1 2.8900 0.005 . . . . . . . . . . 7097 1 649 . 1 1 51 51 ASN HD21 H 1 6.9673 0.005 . . . . . . . . . . 7097 1 650 . 1 1 51 51 ASN HD22 H 1 7.6807 0.005 . . . . . . . . . . 7097 1 651 . 1 1 51 51 ASN C C 13 178.1600 0.03 . . . . . . . . . . 7097 1 652 . 1 1 51 51 ASN CA C 13 55.7800 0.03 . . . . . . . . . . 7097 1 653 . 1 1 51 51 ASN CB C 13 38.3100 0.03 . . . . . . . . . . 7097 1 654 . 1 1 51 51 ASN N N 15 120.7300 0.03 . . . . . . . . . . 7097 1 655 . 1 1 51 51 ASN ND2 N 15 111.9416 0.03 . . . . . . . . . . 7097 1 656 . 1 1 52 52 LEU H H 1 8.1200 0.005 . . . . . . . . . . 7097 1 657 . 1 1 52 52 LEU HA H 1 4.0300 0.005 . . . . . . . . . . 7097 1 658 . 1 1 52 52 LEU HB2 H 1 1.1200 0.005 . . . . . . . . . . 7097 1 659 . 1 1 52 52 LEU HB3 H 1 2.0600 0.005 . . . . . . . . . . 7097 1 660 . 1 1 52 52 LEU HG H 1 1.8300 0.005 . . . . . . . . . . 7097 1 661 . 1 1 52 52 LEU HD11 H 1 0.7200 0.005 . . . . . . . . . . 7097 1 662 . 1 1 52 52 LEU HD12 H 1 0.7200 0.005 . . . . . . . . . . 7097 1 663 . 1 1 52 52 LEU HD13 H 1 0.7200 0.005 . . . . . . . . . . 7097 1 664 . 1 1 52 52 LEU HD21 H 1 0.6600 0.005 . . . . . . . . . . 7097 1 665 . 1 1 52 52 LEU HD22 H 1 0.6600 0.005 . . . . . . . . . . 7097 1 666 . 1 1 52 52 LEU HD23 H 1 0.6600 0.005 . . . . . . . . . . 7097 1 667 . 1 1 52 52 LEU C C 13 179.2100 0.03 . . . . . . . . . . 7097 1 668 . 1 1 52 52 LEU CA C 13 57.7100 0.03 . . . . . . . . . . 7097 1 669 . 1 1 52 52 LEU CB C 13 42.1300 0.03 . . . . . . . . . . 7097 1 670 . 1 1 52 52 LEU CG C 13 26.4900 0.03 . . . . . . . . . . 7097 1 671 . 1 1 52 52 LEU CD1 C 13 23.2300 0.03 . . . . . . . . . . 7097 1 672 . 1 1 52 52 LEU CD2 C 13 26.0000 0.03 . . . . . . . . . . 7097 1 673 . 1 1 52 52 LEU N N 15 120.9700 0.03 . . . . . . . . . . 7097 1 674 . 1 1 53 53 ARG H H 1 8.4600 0.005 . . . . . . . . . . 7097 1 675 . 1 1 53 53 ARG HA H 1 3.9500 0.005 . . . . . . . . . . 7097 1 676 . 1 1 53 53 ARG HB2 H 1 1.8500 0.005 . . . . . . . . . . 7097 1 677 . 1 1 53 53 ARG HB3 H 1 1.8500 0.005 . . . . . . . . . . 7097 1 678 . 1 1 53 53 ARG HG2 H 1 1.6200 0.005 . . . . . . . . . . 7097 1 679 . 1 1 53 53 ARG HG3 H 1 1.8200 0.005 . . . . . . . . . . 7097 1 680 . 1 1 53 53 ARG HD2 H 1 3.1300 0.005 . . . . . . . . . . 7097 1 681 . 1 1 53 53 ARG HD3 H 1 3.1800 0.005 . . . . . . . . . . 7097 1 682 . 1 1 53 53 ARG HE H 1 7.6330 0.005 . . . . . . . . . . 7097 1 683 . 1 1 53 53 ARG C C 13 178.6900 0.03 . . . . . . . . . . 7097 1 684 . 1 1 53 53 ARG CA C 13 59.1400 0.03 . . . . . . . . . . 7097 1 685 . 1 1 53 53 ARG CB C 13 29.8100 0.03 . . . . . . . . . . 7097 1 686 . 1 1 53 53 ARG CG C 13 29.0800 0.03 . . . . . . . . . . 7097 1 687 . 1 1 53 53 ARG CD C 13 42.9700 0.03 . . . . . . . . . . 7097 1 688 . 1 1 53 53 ARG N N 15 117.1100 0.03 . . . . . . . . . . 7097 1 689 . 1 1 53 53 ARG NE N 15 84.4050 0.03 . . . . . . . . . . 7097 1 690 . 1 1 54 54 SER H H 1 7.8900 0.005 . . . . . . . . . . 7097 1 691 . 1 1 54 54 SER HA H 1 4.3400 0.005 . . . . . . . . . . 7097 1 692 . 1 1 54 54 SER HB2 H 1 3.9700 0.005 . . . . . . . . . . 7097 1 693 . 1 1 54 54 SER HB3 H 1 4.0100 0.005 . . . . . . . . . . 7097 1 694 . 1 1 54 54 SER C C 13 175.8000 0.03 . . . . . . . . . . 7097 1 695 . 1 1 54 54 SER CA C 13 60.4300 0.03 . . . . . . . . . . 7097 1 696 . 1 1 54 54 SER CB C 13 63.1000 0.03 . . . . . . . . . . 7097 1 697 . 1 1 54 54 SER N N 15 114.0500 0.03 . . . . . . . . . . 7097 1 698 . 1 1 55 55 SER H H 1 7.8500 0.005 . . . . . . . . . . 7097 1 699 . 1 1 55 55 SER HA H 1 4.3900 0.005 . . . . . . . . . . 7097 1 700 . 1 1 55 55 SER HB2 H 1 3.9500 0.005 . . . . . . . . . . 7097 1 701 . 1 1 55 55 SER HB3 H 1 3.9900 0.005 . . . . . . . . . . 7097 1 702 . 1 1 55 55 SER C C 13 175.3700 0.03 . . . . . . . . . . 7097 1 703 . 1 1 55 55 SER CA C 13 60.2100 0.03 . . . . . . . . . . 7097 1 704 . 1 1 55 55 SER CB C 13 63.5300 0.03 . . . . . . . . . . 7097 1 705 . 1 1 55 55 SER N N 15 116.2600 0.03 . . . . . . . . . . 7097 1 706 . 1 1 56 56 VAL H H 1 7.4800 0.005 . . . . . . . . . . 7097 1 707 . 1 1 56 56 VAL HA H 1 4.1600 0.005 . . . . . . . . . . 7097 1 708 . 1 1 56 56 VAL HB H 1 2.1200 0.005 . . . . . . . . . . 7097 1 709 . 1 1 56 56 VAL HG11 H 1 0.8300 0.005 . . . . . . . . . . 7097 1 710 . 1 1 56 56 VAL HG12 H 1 0.8300 0.005 . . . . . . . . . . 7097 1 711 . 1 1 56 56 VAL HG13 H 1 0.8300 0.005 . . . . . . . . . . 7097 1 712 . 1 1 56 56 VAL HG21 H 1 0.7800 0.005 . . . . . . . . . . 7097 1 713 . 1 1 56 56 VAL HG22 H 1 0.7800 0.005 . . . . . . . . . . 7097 1 714 . 1 1 56 56 VAL HG23 H 1 0.7800 0.005 . . . . . . . . . . 7097 1 715 . 1 1 56 56 VAL C C 13 175.9600 0.03 . . . . . . . . . . 7097 1 716 . 1 1 56 56 VAL CA C 13 62.4500 0.03 . . . . . . . . . . 7097 1 717 . 1 1 56 56 VAL CB C 13 32.1200 0.03 . . . . . . . . . . 7097 1 718 . 1 1 56 56 VAL CG1 C 13 20.2700 0.03 . . . . . . . . . . 7097 1 719 . 1 1 56 56 VAL CG2 C 13 21.0400 0.03 . . . . . . . . . . 7097 1 720 . 1 1 56 56 VAL N N 15 117.2200 0.03 . . . . . . . . . . 7097 1 721 . 1 1 57 57 ALA H H 1 7.7900 0.005 . . . . . . . . . . 7097 1 722 . 1 1 57 57 ALA HA H 1 4.2900 0.005 . . . . . . . . . . 7097 1 723 . 1 1 57 57 ALA HB1 H 1 1.4100 0.005 . . . . . . . . . . 7097 1 724 . 1 1 57 57 ALA HB2 H 1 1.4100 0.005 . . . . . . . . . . 7097 1 725 . 1 1 57 57 ALA HB3 H 1 1.4100 0.005 . . . . . . . . . . 7097 1 726 . 1 1 57 57 ALA C C 13 177.4300 0.03 . . . . . . . . . . 7097 1 727 . 1 1 57 57 ALA CA C 13 52.9500 0.03 . . . . . . . . . . 7097 1 728 . 1 1 57 57 ALA CB C 13 19.1600 0.03 . . . . . . . . . . 7097 1 729 . 1 1 57 57 ALA N N 15 124.6300 0.03 . . . . . . . . . . 7097 1 730 . 1 1 58 58 ASN H H 1 8.1800 0.005 . . . . . . . . . . 7097 1 731 . 1 1 58 58 ASN HA H 1 4.7300 0.005 . . . . . . . . . . 7097 1 732 . 1 1 58 58 ASN HB2 H 1 2.7100 0.005 . . . . . . . . . . 7097 1 733 . 1 1 58 58 ASN HB3 H 1 2.8500 0.005 . . . . . . . . . . 7097 1 734 . 1 1 58 58 ASN HD21 H 1 6.8465 0.005 . . . . . . . . . . 7097 1 735 . 1 1 58 58 ASN HD22 H 1 7.5638 0.005 . . . . . . . . . . 7097 1 736 . 1 1 58 58 ASN C C 13 174.0500 0.03 . . . . . . . . . . 7097 1 737 . 1 1 58 58 ASN CA C 13 53.1500 0.03 . . . . . . . . . . 7097 1 738 . 1 1 58 58 ASN CB C 13 39.1600 0.03 . . . . . . . . . . 7097 1 739 . 1 1 58 58 ASN N N 15 116.9900 0.03 . . . . . . . . . . 7097 1 740 . 1 1 58 58 ASN ND2 N 15 112.6073 0.03 . . . . . . . . . . 7097 1 741 . 1 1 59 59 ASN H H 1 7.8800 0.005 . . . . . . . . . . 7097 1 742 . 1 1 59 59 ASN HA H 1 4.4600 0.005 . . . . . . . . . . 7097 1 743 . 1 1 59 59 ASN HB2 H 1 2.6600 0.005 . . . . . . . . . . 7097 1 744 . 1 1 59 59 ASN HB3 H 1 2.7500 0.005 . . . . . . . . . . 7097 1 745 . 1 1 59 59 ASN HD21 H 1 6.7744 0.005 . . . . . . . . . . 7097 1 746 . 1 1 59 59 ASN HD22 H 1 7.4654 0.005 . . . . . . . . . . 7097 1 747 . 1 1 59 59 ASN CA C 13 54.7900 0.03 . . . . . . . . . . 7097 1 748 . 1 1 59 59 ASN CB C 13 40.4900 0.03 . . . . . . . . . . 7097 1 749 . 1 1 59 59 ASN N N 15 123.7200 0.03 . . . . . . . . . . 7097 1 750 . 1 1 59 59 ASN ND2 N 15 112.1918 0.03 . . . . . . . . . . 7097 1 stop_ save_ save_chemical_shift_set_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_2 _Assigned_chem_shift_list.Entry_ID 7097 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 7097 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 2 2 1 1 DT H6 H 1 7.509 0.005 . . . . . . . . . . 7097 2 2 . 2 2 1 1 DT H71 H 1 1.752 0.005 . . . . . . . . . . 7097 2 3 . 2 2 1 1 DT H72 H 1 1.752 0.005 . . . . . . . . . . 7097 2 4 . 2 2 1 1 DT H73 H 1 1.752 0.005 . . . . . . . . . . 7097 2 5 . 2 2 1 1 DT H1' H 1 6.053 0.005 . . . . . . . . . . 7097 2 6 . 2 2 1 1 DT H2' H 1 2.203 0.005 . . . . . . . . . . 7097 2 7 . 2 2 1 1 DT H2'' H 1 2.473 0.005 . . . . . . . . . . 7097 2 8 . 2 2 2 2 DG H1 H 1 12.155 0.005 . . . . . . . . . . 7097 2 9 . 2 2 2 2 DG H8 H 1 7.960 0.005 . . . . . . . . . . 7097 2 10 . 2 2 2 2 DG H1' H 1 5.921 0.005 . . . . . . . . . . 7097 2 11 . 2 2 2 2 DG H2' H 1 2.700 0.005 . . . . . . . . . . 7097 2 12 . 2 2 2 2 DG H2'' H 1 2.972 0.005 . . . . . . . . . . 7097 2 13 . 2 2 2 2 DG H3' H 1 4.787 0.005 . . . . . . . . . . 7097 2 14 . 2 2 3 3 DA H2 H 1 7.487 0.005 . . . . . . . . . . 7097 2 15 . 2 2 3 3 DA H8 H 1 7.813 0.005 . . . . . . . . . . 7097 2 16 . 2 2 3 3 DA H1' H 1 6.206 0.005 . . . . . . . . . . 7097 2 17 . 2 2 3 3 DA H2' H 1 2.632 0.005 . . . . . . . . . . 7097 2 18 . 2 2 3 3 DA H2'' H 1 2.756 0.005 . . . . . . . . . . 7097 2 19 . 2 2 3 3 DA H3' H 1 4.797 0.005 . . . . . . . . . . 7097 2 20 . 2 2 4 4 DG H1 H 1 12.892 0.005 . . . . . . . . . . 7097 2 21 . 2 2 4 4 DG H8 H 1 7.643 0.005 . . . . . . . . . . 7097 2 22 . 2 2 4 4 DG H1' H 1 5.943 0.005 . . . . . . . . . . 7097 2 23 . 2 2 4 4 DG H2' H 1 2.447 0.005 . . . . . . . . . . 7097 2 24 . 2 2 5 5 DG H1 H 1 13.221 0.005 . . . . . . . . . . 7097 2 25 . 2 2 5 5 DG H8 H 1 7.455 0.005 . . . . . . . . . . 7097 2 26 . 2 2 5 5 DG H1' H 1 6.051 0.005 . . . . . . . . . . 7097 2 27 . 2 2 5 5 DG H2' H 1 2.279 0.005 . . . . . . . . . . 7097 2 28 . 2 2 5 5 DG H2'' H 1 2.754 0.005 . . . . . . . . . . 7097 2 29 . 2 2 6 6 DC H5 H 1 5.052 0.005 . . . . . . . . . . 7097 2 30 . 2 2 6 6 DC H6 H 1 7.259 0.005 . . . . . . . . . . 7097 2 31 . 2 2 6 6 DC H41 H 1 7.151 0.005 . . . . . . . . . . 7097 2 32 . 2 2 6 6 DC H42 H 1 8.035 0.005 . . . . . . . . . . 7097 2 33 . 2 2 6 6 DC H1' H 1 5.786 0.005 . . . . . . . . . . 7097 2 34 . 2 2 6 6 DC H2' H 1 1.907 0.005 . . . . . . . . . . 7097 2 35 . 2 2 6 6 DC H2'' H 1 2.345 0.005 . . . . . . . . . . 7097 2 36 . 2 2 6 6 DC H3' H 1 4.710 0.005 . . . . . . . . . . 7097 2 37 . 2 2 7 7 DG H1 H 1 12.400 0.005 . . . . . . . . . . 7097 2 38 . 2 2 7 7 DG H8 H 1 7.774 0.005 . . . . . . . . . . 7097 2 39 . 2 2 7 7 DG H1' H 1 6.036 0.005 . . . . . . . . . . 7097 2 40 . 2 2 7 7 DG H2' H 1 2.436 0.005 . . . . . . . . . . 7097 2 41 . 2 2 7 7 DG H2'' H 1 2.760 0.005 . . . . . . . . . . 7097 2 42 . 2 2 7 7 DG H3' H 1 4.892 0.005 . . . . . . . . . . 7097 2 43 . 2 2 8 8 DT H3 H 1 13.686 0.005 . . . . . . . . . . 7097 2 44 . 2 2 8 8 DT H6 H 1 7.254 0.005 . . . . . . . . . . 7097 2 45 . 2 2 8 8 DT H71 H 1 1.455 0.005 . . . . . . . . . . 7097 2 46 . 2 2 8 8 DT H72 H 1 1.455 0.005 . . . . . . . . . . 7097 2 47 . 2 2 8 8 DT H73 H 1 1.455 0.005 . . . . . . . . . . 7097 2 48 . 2 2 8 8 DT H1' H 1 5.883 0.005 . . . . . . . . . . 7097 2 49 . 2 2 8 8 DT H2' H 1 2.029 0.005 . . . . . . . . . . 7097 2 50 . 2 2 8 8 DT H2'' H 1 2.361 0.005 . . . . . . . . . . 7097 2 51 . 2 2 8 8 DT H3' H 1 4.823 0.005 . . . . . . . . . . 7097 2 52 . 2 2 9 9 DC H5 H 1 5.597 0.005 . . . . . . . . . . 7097 2 53 . 2 2 9 9 DC H6 H 1 7.396 0.005 . . . . . . . . . . 7097 2 54 . 2 2 9 9 DC H41 H 1 6.692 0.005 . . . . . . . . . . 7097 2 55 . 2 2 9 9 DC H42 H 1 8.190 0.005 . . . . . . . . . . 7097 2 56 . 2 2 9 9 DC H1' H 1 5.559 0.005 . . . . . . . . . . 7097 2 57 . 2 2 9 9 DC H2' H 1 1.969 0.005 . . . . . . . . . . 7097 2 58 . 2 2 9 9 DC H2'' H 1 2.308 0.005 . . . . . . . . . . 7097 2 59 . 2 2 9 9 DC H3' H 1 4.813 0.005 . . . . . . . . . . 7097 2 60 . 2 2 10 10 DA H2 H 1 6.929 0.005 . . . . . . . . . . 7097 2 61 . 2 2 10 10 DA H8 H 1 8.378 0.005 . . . . . . . . . . 7097 2 62 . 2 2 10 10 DA H1' H 1 5.489 0.005 . . . . . . . . . . 7097 2 63 . 2 2 10 10 DA H2' H 1 2.750 0.005 . . . . . . . . . . 7097 2 64 . 2 2 10 10 DA H2'' H 1 2.808 0.005 . . . . . . . . . . 7097 2 65 . 2 2 10 10 DA H3' H 1 4.992 0.005 . . . . . . . . . . 7097 2 66 . 2 2 11 11 DA H2 H 1 7.813 0.005 . . . . . . . . . . 7097 2 67 . 2 2 11 11 DA H8 H 1 8.227 0.005 . . . . . . . . . . 7097 2 68 . 2 2 11 11 DA H1' H 1 6.211 0.005 . . . . . . . . . . 7097 2 69 . 2 2 11 11 DA H2' H 1 2.683 0.005 . . . . . . . . . . 7097 2 70 . 2 2 11 11 DA H2'' H 1 2.820 0.005 . . . . . . . . . . 7097 2 71 . 2 2 11 11 DA H3' H 1 5.036 0.005 . . . . . . . . . . 7097 2 72 . 2 2 12 12 DC H5 H 1 5.203 0.005 . . . . . . . . . . 7097 2 73 . 2 2 12 12 DC H6 H 1 7.239 0.005 . . . . . . . . . . 7097 2 74 . 2 2 12 12 DC H41 H 1 6.618 0.005 . . . . . . . . . . 7097 2 75 . 2 2 12 12 DC H42 H 1 7.974 0.005 . . . . . . . . . . 7097 2 76 . 2 2 12 12 DC H1' H 1 5.946 0.005 . . . . . . . . . . 7097 2 77 . 2 2 12 12 DC H2' H 1 2.026 0.005 . . . . . . . . . . 7097 2 78 . 2 2 12 12 DC H2'' H 1 2.056 0.005 . . . . . . . . . . 7097 2 79 . 2 2 12 12 DC H3' H 1 4.383 0.005 . . . . . . . . . . 7097 2 stop_ save_ save_chemical_shift_set_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_3 _Assigned_chem_shift_list.Entry_ID 7097 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 7097 3 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 3 3 1 1 DG H8 H 1 7.900 0.005 . . . . . . . . . . 7097 3 2 . 3 3 1 1 DG H1' H 1 5.957 0.005 . . . . . . . . . . 7097 3 3 . 3 3 1 1 DG H2' H 1 2.603 0.005 . . . . . . . . . . 7097 3 4 . 3 3 1 1 DG H2'' H 1 2.752 0.005 . . . . . . . . . . 7097 3 5 . 3 3 1 1 DG H3' H 1 4.781 0.005 . . . . . . . . . . 7097 3 6 . 3 3 2 2 DT H3 H 1 14.152 0.005 . . . . . . . . . . 7097 3 7 . 3 3 2 2 DT H6 H 1 7.347 0.005 . . . . . . . . . . 7097 3 8 . 3 3 2 2 DT H71 H 1 1.328 0.005 . . . . . . . . . . 7097 3 9 . 3 3 2 2 DT H72 H 1 1.328 0.005 . . . . . . . . . . 7097 3 10 . 3 3 2 2 DT H73 H 1 1.328 0.005 . . . . . . . . . . 7097 3 11 . 3 3 2 2 DT H1' H 1 6.120 0.005 . . . . . . . . . . 7097 3 12 . 3 3 2 2 DT H2' H 1 2.069 0.005 . . . . . . . . . . 7097 3 13 . 3 3 2 2 DT H2'' H 1 2.532 0.005 . . . . . . . . . . 7097 3 14 . 3 3 2 2 DT H3' H 1 4.865 0.005 . . . . . . . . . . 7097 3 15 . 3 3 3 3 DT H3 H 1 14.376 0.005 . . . . . . . . . . 7097 3 16 . 3 3 3 3 DT H6 H 1 7.597 0.005 . . . . . . . . . . 7097 3 17 . 3 3 3 3 DT H71 H 1 1.668 0.005 . . . . . . . . . . 7097 3 18 . 3 3 3 3 DT H72 H 1 1.668 0.005 . . . . . . . . . . 7097 3 19 . 3 3 3 3 DT H73 H 1 1.668 0.005 . . . . . . . . . . 7097 3 20 . 3 3 3 3 DT H1' H 1 5.222 0.005 . . . . . . . . . . 7097 3 21 . 3 3 3 3 DT H2' H 1 2.486 0.005 . . . . . . . . . . 7097 3 22 . 3 3 3 3 DT H2'' H 1 2.515 0.005 . . . . . . . . . . 7097 3 23 . 3 3 3 3 DT H3' H 1 5.031 0.005 . . . . . . . . . . 7097 3 24 . 3 3 4 4 DG H1 H 1 12.517 0.005 . . . . . . . . . . 7097 3 25 . 3 3 4 4 DG H8 H 1 7.897 0.005 . . . . . . . . . . 7097 3 26 . 3 3 4 4 DG H1' H 1 5.864 0.005 . . . . . . . . . . 7097 3 27 . 3 3 4 4 DG H2' H 1 2.294 0.005 . . . . . . . . . . 7097 3 28 . 3 3 4 4 DG H2'' H 1 2.800 0.005 . . . . . . . . . . 7097 3 29 . 3 3 4 4 DG H3' H 1 5.323 0.005 . . . . . . . . . . 7097 3 30 . 3 3 5 5 DA H2 H 1 7.707 0.005 . . . . . . . . . . 7097 3 31 . 3 3 5 5 DA H8 H 1 8.293 0.005 . . . . . . . . . . 7097 3 32 . 3 3 5 5 DA H1' H 1 5.645 0.005 . . . . . . . . . . 7097 3 33 . 3 3 5 5 DA H2' H 1 2.166 0.005 . . . . . . . . . . 7097 3 34 . 3 3 5 5 DA H2'' H 1 2.259 0.005 . . . . . . . . . . 7097 3 35 . 3 3 5 5 DA H3' H 1 4.971 0.005 . . . . . . . . . . 7097 3 36 . 3 3 6 6 DC H5 H 1 5.036 0.005 . . . . . . . . . . 7097 3 37 . 3 3 6 6 DC H6 H 1 7.218 0.005 . . . . . . . . . . 7097 3 38 . 3 3 6 6 DC H1' H 1 6.054 0.005 . . . . . . . . . . 7097 3 39 . 3 3 6 6 DC H2' H 1 2.465 0.005 . . . . . . . . . . 7097 3 40 . 3 3 6 6 DC H2'' H 1 2.687 0.005 . . . . . . . . . . 7097 3 41 . 3 3 7 7 DG H1 H 1 12.496 0.005 . . . . . . . . . . 7097 3 42 . 3 3 7 7 DG H8 H 1 7.560 0.005 . . . . . . . . . . 7097 3 43 . 3 3 7 7 DG H1' H 1 5.615 0.005 . . . . . . . . . . 7097 3 44 . 3 3 7 7 DG H2' H 1 2.408 0.005 . . . . . . . . . . 7097 3 45 . 3 3 7 7 DG H2'' H 1 2.532 0.005 . . . . . . . . . . 7097 3 46 . 3 3 8 8 DC H5 H 1 5.241 0.005 . . . . . . . . . . 7097 3 47 . 3 3 8 8 DC H6 H 1 7.688 0.005 . . . . . . . . . . 7097 3 48 . 3 3 8 8 DC H41 H 1 6.426 0.005 . . . . . . . . . . 7097 3 49 . 3 3 8 8 DC H42 H 1 8.373 0.005 . . . . . . . . . . 7097 3 50 . 3 3 8 8 DC H1' H 1 6.003 0.005 . . . . . . . . . . 7097 3 51 . 3 3 8 8 DC H2' H 1 2.363 0.005 . . . . . . . . . . 7097 3 52 . 3 3 8 8 DC H2'' H 1 2.541 0.005 . . . . . . . . . . 7097 3 53 . 3 3 8 8 DC H3' H 1 4.683 0.005 . . . . . . . . . . 7097 3 54 . 3 3 9 9 DC H5 H 1 5.544 0.005 . . . . . . . . . . 7097 3 55 . 3 3 9 9 DC H6 H 1 7.454 0.005 . . . . . . . . . . 7097 3 56 . 3 3 9 9 DC H41 H 1 6.835 0.005 . . . . . . . . . . 7097 3 57 . 3 3 9 9 DC H42 H 1 8.299 0.005 . . . . . . . . . . 7097 3 58 . 3 3 9 9 DC H1' H 1 5.723 0.005 . . . . . . . . . . 7097 3 59 . 3 3 9 9 DC H2' H 1 2.181 0.005 . . . . . . . . . . 7097 3 60 . 3 3 9 9 DC H2'' H 1 2.487 0.005 . . . . . . . . . . 7097 3 61 . 3 3 9 9 DC H3' H 1 4.530 0.005 . . . . . . . . . . 7097 3 62 . 3 3 10 10 DT H3 H 1 14.060 0.005 . . . . . . . . . . 7097 3 63 . 3 3 10 10 DT H6 H 1 7.592 0.005 . . . . . . . . . . 7097 3 64 . 3 3 10 10 DT H71 H 1 1.566 0.005 . . . . . . . . . . 7097 3 65 . 3 3 10 10 DT H72 H 1 1.566 0.005 . . . . . . . . . . 7097 3 66 . 3 3 10 10 DT H73 H 1 1.566 0.005 . . . . . . . . . . 7097 3 67 . 3 3 10 10 DT H1' H 1 5.908 0.005 . . . . . . . . . . 7097 3 68 . 3 3 10 10 DT H2' H 1 2.191 0.005 . . . . . . . . . . 7097 3 69 . 3 3 10 10 DT H2'' H 1 2.469 0.005 . . . . . . . . . . 7097 3 70 . 3 3 10 10 DT H3' H 1 4.787 0.005 . . . . . . . . . . 7097 3 71 . 3 3 11 11 DC H5 H 1 5.585 0.005 . . . . . . . . . . 7097 3 72 . 3 3 11 11 DC H6 H 1 7.495 0.005 . . . . . . . . . . 7097 3 73 . 3 3 11 11 DC H41 H 1 6.879 0.005 . . . . . . . . . . 7097 3 74 . 3 3 11 11 DC H42 H 1 8.313 0.005 . . . . . . . . . . 7097 3 75 . 3 3 11 11 DC H1' H 1 5.885 0.005 . . . . . . . . . . 7097 3 76 . 3 3 11 11 DC H2' H 1 1.995 0.005 . . . . . . . . . . 7097 3 77 . 3 3 11 11 DC H2'' H 1 2.358 0.005 . . . . . . . . . . 7097 3 78 . 3 3 12 12 DA H2 H 1 7.558 0.005 . . . . . . . . . . 7097 3 79 . 3 3 12 12 DA H8 H 1 8.151 0.005 . . . . . . . . . . 7097 3 80 . 3 3 12 12 DA H1' H 1 6.243 0.005 . . . . . . . . . . 7097 3 81 . 3 3 12 12 DA H2' H 1 2.379 0.005 . . . . . . . . . . 7097 3 82 . 3 3 12 12 DA H2'' H 1 2.516 0.005 . . . . . . . . . . 7097 3 83 . 3 3 12 12 DA H3' H 1 4.619 0.005 . . . . . . . . . . 7097 3 stop_ save_