data_4165 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4165 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments for Tn916 N-terminal DNA Binding Domain complex with DNA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1998-07-16 _Entry.Accession_date 1998-07-16 _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 Jonathan Wojciak . M. . 4165 2 Kevin Connolly . M. . 4165 3 Robert Clubb . T. . 4165 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 3 4165 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 231 4165 '15N chemical shifts' 80 4165 '1H chemical shifts' 667 4165 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 1998-07-16 update BMRB 'update DNA residue label to two-letter code' 4165 1 . . 2000-03-16 1998-07-16 original author 'original release' 4165 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4165 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 99315213 _Citation.DOI . _Citation.PubMed_ID 10382314 _Citation.Full_citation . _Citation.Title ; Resonance assignments of the Tn916 integrase DNA-binding domain and the integrase:DNA complex ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 14 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 95 _Citation.Page_last 96 _Citation.Year 1999 _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 Kevin Connolly . M. . 4165 1 2 Jonathan Wojciak . M. . 4165 1 3 Robert Clubb . T. . 4165 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'DNA complex' 4165 1 NMR 4165 1 'nuclear magnetic resonance' 4165 1 'Tn916 Integrase' 4165 1 stop_ save_ save_citation_one _Citation.Sf_category citations _Citation.Sf_framecode citation_one _Citation.Entry_ID 4165 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 8589602 _Citation.Full_citation ; Wishart, D. S., Bigam, C. G., Yao, J., Abildgaard, F., Dyson, H. J., Oldfield, E., Markley, J. L., and Sykes, B. D. J. Biomol. NMR 6, 135-140 (1995). ; _Citation.Title '1H, 13C and 15N chemical shift referencing in biomolecular NMR.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 6 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0925-2738 _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 135 _Citation.Page_last 140 _Citation.Year 1995 _Citation.Details ; A considerable degree of variability exists in the way that 1H, 13C and 15N chemical shifts are reported and referenced for biomolecules. In this article we explore some of the reasons for this situation and propose guidelines for future chemical shift referencing and for conversion from many common 1H, 13C and 15N chemical shift standards, now used in biomolecular NMR, to those proposed here. ; 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 'D S' Wishart D. S. . 4165 2 2 'C G' Bigam C. G. . 4165 2 3 J Yao J. . . 4165 2 4 F Abildgaard F. . . 4165 2 5 'H J' Dyson H. J. . 4165 2 6 E Oldfield E. . . 4165 2 7 'J L' Markley J. L. . 4165 2 8 'B D' Sykes B. D. . 4165 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Tn916int-DNA-complex _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Tn916int-DNA-complex _Assembly.Entry_ID 4165 _Assembly.ID 1 _Assembly.Name 'Tn916 integrase 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 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4165 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 Tn916int 1 $Tn916int . . . native . . . . . 4165 1 2 'DNA 1' 2 $DNA_1 . . . native . . . . . 4165 1 3 'DNA 2' 3 $DNA_2 . . . native . . . . . 4165 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Tn916int DNA complex' abbreviation 4165 1 'Tn916 integrase DNA complex' system 4165 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Tn916int _Entity.Sf_category entity _Entity.Sf_framecode Tn916int _Entity.Entry_ID 4165 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Tn916 integrase' _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 ; MSEKRRDNRGRILKTGESQR KDGRYLYKYIDSFGEPQFVY SWKLVATDRVPAGKRDAISL REKIAELQKDIHDG ; _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 74 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 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 4160 . "Tn916 integrase subunit" . . . . . 100.00 81 98.65 98.65 1.19e-44 . . . . 4165 1 2 no PDB 1B69 . "The Solution Structure Of Tn916 Integrase N-Terminal DomainDNA COMPLEX" . . . . . 91.89 69 100.00 100.00 6.94e-40 . . . . 4165 1 3 no PDB 1BB8 . "N-Terminal Dna Binding Domain From Tn916 Integrase, Nmr, 25 Structures" . . . . . 94.59 71 98.57 98.57 2.00e-41 . . . . 4165 1 4 no PDB 1TN9 . "The Solution Structure Of Tn916 Integrase N-Terminal DomainDNA COMPLEX" . . . . . 91.89 69 100.00 100.00 6.94e-40 . . . . 4165 1 5 no PDB 2BB8 . "N-Terminal Dna Binding Domain From Tn916 Integrase, Nmr, Minimized Average Structure" . . . . . 94.59 71 98.57 98.57 2.00e-41 . . . . 4165 1 6 no DBJ BAG12510 . "Int-Tn protein [Streptococcus pneumoniae]" . . . . . 100.00 405 97.30 98.65 5.12e-42 . . . . 4165 1 7 no DBJ BAK28444 . "Tn916 ORF2 integrase [Streptococcus gallolyticus subsp. gallolyticus ATCC 43143]" . . . . . 100.00 405 97.30 98.65 5.12e-42 . . . . 4165 1 8 no DBJ BAN28951 . "Tn916, transposase [Staphylococcus aureus]" . . . . . 100.00 150 97.30 98.65 4.68e-44 . . . . 4165 1 9 no DBJ GAD37680 . "hypothetical protein ANG2_0008 [Streptococcus constellatus subsp. constellatus SK53]" . . . . . 100.00 405 97.30 98.65 5.12e-42 . . . . 4165 1 10 no EMBL CAA43360 . "integrase of Tn1545 [Streptococcus pneumoniae]" . . . . . 100.00 405 97.30 98.65 5.12e-42 . . . . 4165 1 11 no EMBL CAO82956 . "integrase of transposon Tn916 [Streptococcus pneumoniae]" . . . . . 100.00 405 97.30 98.65 5.12e-42 . . . . 4165 1 12 no EMBL CAQ49380 . "transposase from transposon (Integrase) [Staphylococcus aureus subsp. aureus ST398]" . . . . . 100.00 405 97.30 98.65 5.12e-42 . . . . 4165 1 13 no EMBL CAV31149 . "integrase [Streptococcus pneumoniae]" . . . . . 100.00 405 97.30 98.65 5.12e-42 . . . . 4165 1 14 no EMBL CAZ51601 . "integrase [Streptococcus suis SC84]" . . . . . 100.00 405 97.30 98.65 5.12e-42 . . . . 4165 1 15 no GB AAA19427 . "ORF2 [Enterococcus faecalis]" . . . . . 100.00 405 98.65 98.65 1.73e-42 . . . . 4165 1 16 no GB AAB60030 . "ORF2 [Enterococcus faecalis]" . . . . . 100.00 405 98.65 98.65 1.73e-42 . . . . 4165 1 17 no GB AAC36982 . "ORF2 [Enterococcus faecalis]" . . . . . 100.00 405 98.65 98.65 1.73e-42 . . . . 4165 1 18 no GB AAM99801 . "Tn916, transposase [Streptococcus agalactiae 2603V/R]" . . . . . 100.00 405 97.30 98.65 5.12e-42 . . . . 4165 1 19 no GB AAY63950 . "Int-Tn [Streptococcus cristatus]" . . . . . 100.00 405 97.30 98.65 5.12e-42 . . . . 4165 1 20 no PRF 2114402Y . "int-Tn gene" . . . . . 100.00 405 98.65 98.65 1.73e-42 . . . . 4165 1 21 no REF NP_687929 . "Tn916, transposase [Streptococcus agalactiae 2603V/R]" . . . . . 100.00 405 97.30 98.65 5.12e-42 . . . . 4165 1 22 no REF WP_001291559 . "integrase, partial [Streptococcus agalactiae]" . . . . . 100.00 266 97.30 98.65 6.83e-43 . . . . 4165 1 23 no REF WP_001291560 . "hypothetical protein [Streptococcus agalactiae]" . . . . . 100.00 405 97.30 98.65 4.57e-42 . . . . 4165 1 24 no REF WP_001291561 . "MULTISPECIES: transposase [Bacteria]" . . . . . 100.00 405 97.30 98.65 5.12e-42 . . . . 4165 1 25 no REF WP_001291562 . "integrase [Streptococcus pneumoniae]" . . . . . 100.00 405 97.30 98.65 5.57e-42 . . . . 4165 1 26 no SP P22886 . "RecName: Full=Transposase from transposon Tn916; AltName: Full=Integrase" . . . . . 100.00 405 98.65 98.65 1.73e-42 . . . . 4165 1 27 no SP P62904 . "RecName: Full=Transposase from transposon Tn1545; AltName: Full=Integrase" . . . . . 100.00 405 97.30 98.65 5.12e-42 . . . . 4165 1 28 no SP P62905 . "RecName: Full=Transposase from transposon Tn1545; AltName: Full=Integrase" . . . . . 100.00 405 97.30 98.65 5.12e-42 . . . . 4165 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Tn916int abbreviation 4165 1 'Tn916 integrase' common 4165 1 'Tn916 integrase C57A' variant 4165 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 . MET . 4165 1 2 . SER . 4165 1 3 . GLU . 4165 1 4 . LYS . 4165 1 5 . ARG . 4165 1 6 . ARG . 4165 1 7 . ASP . 4165 1 8 . ASN . 4165 1 9 . ARG . 4165 1 10 . GLY . 4165 1 11 . ARG . 4165 1 12 . ILE . 4165 1 13 . LEU . 4165 1 14 . LYS . 4165 1 15 . THR . 4165 1 16 . GLY . 4165 1 17 . GLU . 4165 1 18 . SER . 4165 1 19 . GLN . 4165 1 20 . ARG . 4165 1 21 . LYS . 4165 1 22 . ASP . 4165 1 23 . GLY . 4165 1 24 . ARG . 4165 1 25 . TYR . 4165 1 26 . LEU . 4165 1 27 . TYR . 4165 1 28 . LYS . 4165 1 29 . TYR . 4165 1 30 . ILE . 4165 1 31 . ASP . 4165 1 32 . SER . 4165 1 33 . PHE . 4165 1 34 . GLY . 4165 1 35 . GLU . 4165 1 36 . PRO . 4165 1 37 . GLN . 4165 1 38 . PHE . 4165 1 39 . VAL . 4165 1 40 . TYR . 4165 1 41 . SER . 4165 1 42 . TRP . 4165 1 43 . LYS . 4165 1 44 . LEU . 4165 1 45 . VAL . 4165 1 46 . ALA . 4165 1 47 . THR . 4165 1 48 . ASP . 4165 1 49 . ARG . 4165 1 50 . VAL . 4165 1 51 . PRO . 4165 1 52 . ALA . 4165 1 53 . GLY . 4165 1 54 . LYS . 4165 1 55 . ARG . 4165 1 56 . ASP . 4165 1 57 . ALA . 4165 1 58 . ILE . 4165 1 59 . SER . 4165 1 60 . LEU . 4165 1 61 . ARG . 4165 1 62 . GLU . 4165 1 63 . LYS . 4165 1 64 . ILE . 4165 1 65 . ALA . 4165 1 66 . GLU . 4165 1 67 . LEU . 4165 1 68 . GLN . 4165 1 69 . LYS . 4165 1 70 . ASP . 4165 1 71 . ILE . 4165 1 72 . HIS . 4165 1 73 . ASP . 4165 1 74 . GLY . 4165 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 4165 1 . SER 2 2 4165 1 . GLU 3 3 4165 1 . LYS 4 4 4165 1 . ARG 5 5 4165 1 . ARG 6 6 4165 1 . ASP 7 7 4165 1 . ASN 8 8 4165 1 . ARG 9 9 4165 1 . GLY 10 10 4165 1 . ARG 11 11 4165 1 . ILE 12 12 4165 1 . LEU 13 13 4165 1 . LYS 14 14 4165 1 . THR 15 15 4165 1 . GLY 16 16 4165 1 . GLU 17 17 4165 1 . SER 18 18 4165 1 . GLN 19 19 4165 1 . ARG 20 20 4165 1 . LYS 21 21 4165 1 . ASP 22 22 4165 1 . GLY 23 23 4165 1 . ARG 24 24 4165 1 . TYR 25 25 4165 1 . LEU 26 26 4165 1 . TYR 27 27 4165 1 . LYS 28 28 4165 1 . TYR 29 29 4165 1 . ILE 30 30 4165 1 . ASP 31 31 4165 1 . SER 32 32 4165 1 . PHE 33 33 4165 1 . GLY 34 34 4165 1 . GLU 35 35 4165 1 . PRO 36 36 4165 1 . GLN 37 37 4165 1 . PHE 38 38 4165 1 . VAL 39 39 4165 1 . TYR 40 40 4165 1 . SER 41 41 4165 1 . TRP 42 42 4165 1 . LYS 43 43 4165 1 . LEU 44 44 4165 1 . VAL 45 45 4165 1 . ALA 46 46 4165 1 . THR 47 47 4165 1 . ASP 48 48 4165 1 . ARG 49 49 4165 1 . VAL 50 50 4165 1 . PRO 51 51 4165 1 . ALA 52 52 4165 1 . GLY 53 53 4165 1 . LYS 54 54 4165 1 . ARG 55 55 4165 1 . ASP 56 56 4165 1 . ALA 57 57 4165 1 . ILE 58 58 4165 1 . SER 59 59 4165 1 . LEU 60 60 4165 1 . ARG 61 61 4165 1 . GLU 62 62 4165 1 . LYS 63 63 4165 1 . ILE 64 64 4165 1 . ALA 65 65 4165 1 . GLU 66 66 4165 1 . LEU 67 67 4165 1 . GLN 68 68 4165 1 . LYS 69 69 4165 1 . ASP 70 70 4165 1 . ILE 71 71 4165 1 . HIS 72 72 4165 1 . ASP 73 73 4165 1 . GLY 74 74 4165 1 stop_ save_ save_DNA_1 _Entity.Sf_category entity _Entity.Sf_framecode DNA_1 _Entity.Entry_ID 4165 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'DNA binding site of Tn916 integrase' _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 GAGTAGTAAATTC _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 13 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID DNA abbreviation 4165 2 'DNA binding site of Tn916 integrase' common 4165 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 . DG . 4165 2 2 . DA . 4165 2 3 . DG . 4165 2 4 . DT . 4165 2 5 . DA . 4165 2 6 . DG . 4165 2 7 . DT . 4165 2 8 . DA . 4165 2 9 . DA . 4165 2 10 . DA . 4165 2 11 . DT . 4165 2 12 . DT . 4165 2 13 . DC . 4165 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 . DG 1 1 4165 2 . DA 2 2 4165 2 . DG 3 3 4165 2 . DT 4 4 4165 2 . DA 5 5 4165 2 . DG 6 6 4165 2 . DT 7 7 4165 2 . DA 8 8 4165 2 . DA 9 9 4165 2 . DA 10 10 4165 2 . DT 11 11 4165 2 . DT 12 12 4165 2 . DC 13 13 4165 2 stop_ save_ save_DNA_2 _Entity.Sf_category entity _Entity.Sf_framecode DNA_2 _Entity.Entry_ID 4165 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name 'DNA binding site of Tn916 integrase' _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 GAATTTACTACTC _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 13 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID DNA abbreviation 4165 3 'DNA binding site of Tn916 integrase' common 4165 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 . 4165 3 2 . DA . 4165 3 3 . DA . 4165 3 4 . DT . 4165 3 5 . DT . 4165 3 6 . DT . 4165 3 7 . DA . 4165 3 8 . DC . 4165 3 9 . DT . 4165 3 10 . DA . 4165 3 11 . DC . 4165 3 12 . DT . 4165 3 13 . DC . 4165 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 4165 3 . DA 2 2 4165 3 . DA 3 3 4165 3 . DT 4 4 4165 3 . DT 5 5 4165 3 . DT 6 6 4165 3 . DA 7 7 4165 3 . DC 8 8 4165 3 . DT 9 9 4165 3 . DA 10 10 4165 3 . DC 11 11 4165 3 . DT 12 12 4165 3 . DC 13 13 4165 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 4165 _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 $Tn916int . 1351 organism . 'Enterococcus faecalis' 'Enterococcus faecalis' . . Eubacteria . Enterococcus faecalis . . . . . . . . . . . . . . . . . . . . . 4165 1 2 2 $DNA_1 . 1351 organism . 'Enterococcus faecalis' 'Enterococcus faecalis' . . Eubacteria . Enterococcus faecalis . . . . . . . . . . . . . . . . . . . . . 4165 1 3 3 $DNA_2 . 1351 organism . 'Enterococcus faecalis' 'Enterococcus faecalis' . . Eubacteria . Enterococcus faecalis . . . . . . . . . . . . . . . . . . . . . 4165 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 4165 _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 $Tn916int . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21 . . . . . . . . . . . . plasmid . . pET11a . . . . . . 4165 1 2 2 $DNA_1 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21 . . . . . . . . . . . . plasmid . . pET11a . . . . . . 4165 1 3 3 $DNA_2 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21 . . . . . . . . . . . . plasmid . . pET11a . . . . . . 4165 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4165 _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 'Tn916 integrase' . . . 1 $Tn916int . . 1.0 . . mM . . . . 4165 1 2 'DNA binding site of Tn916 integrase' . . . 2 $DNA_1 . . 1.0 . . mM . . . . 4165 1 3 'DNA binding site of Tn916 integrase' . . . 3 $DNA_2 . . 1.0 . . mM . . . . 4165 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_one _Sample_condition_list.Entry_ID 4165 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 0.2 n/a 4165 1 temperature 300 1 K 4165 1 stop_ save_ ############################ # Computer software used # ############################ save_software_one _Software.Sf_category software _Software.Sf_framecode software_one _Software.Entry_ID 4165 _Software.ID 1 _Software.Name PIPP _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak assignment' 4165 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_one _NMR_spectrometer.Entry_ID 4165 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_two _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_two _NMR_spectrometer.Entry_ID 4165 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4165 _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_one Bruker DRX . 500 . . . 4165 1 2 NMR_spectrometer_two Bruker DRX . 600 . . . 4165 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 4165 _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 . . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 4165 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_one _Chem_shift_reference.Entry_ID 4165 _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 0.00 . indirect 0.251449530 . . . 2 $citation_one . . . . 4165 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 . direct 1.0 . . . 2 $citation_one . . . . 4165 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 2 $citation_one . . . . 4165 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_one _Assigned_chem_shift_list.Entry_ID 4165 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _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_one . 4165 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 GLU HA H 1 4.43 . . 1 . . . . . . . . 4165 1 2 . 1 1 3 3 GLU HB2 H 1 1.95 . . 2 . . . . . . . . 4165 1 3 . 1 1 3 3 GLU HB3 H 1 2.11 . . 2 . . . . . . . . 4165 1 4 . 1 1 3 3 GLU HG2 H 1 2.30 . . 2 . . . . . . . . 4165 1 5 . 1 1 3 3 GLU HG3 H 1 2.34 . . 2 . . . . . . . . 4165 1 6 . 1 1 3 3 GLU CA C 13 56.35 . . 1 . . . . . . . . 4165 1 7 . 1 1 3 3 GLU CB C 13 30.53 . . 1 . . . . . . . . 4165 1 8 . 1 1 3 3 GLU CG C 13 36.23 . . 1 . . . . . . . . 4165 1 9 . 1 1 4 4 LYS N N 15 122.21 . . 1 . . . . . . . . 4165 1 10 . 1 1 4 4 LYS H H 1 8.48 . . 1 . . . . . . . . 4165 1 11 . 1 1 4 4 LYS HA H 1 4.39 . . 1 . . . . . . . . 4165 1 12 . 1 1 4 4 LYS HB2 H 1 1.72 . . 2 . . . . . . . . 4165 1 13 . 1 1 4 4 LYS HB3 H 1 1.81 . . 2 . . . . . . . . 4165 1 14 . 1 1 4 4 LYS HD2 H 1 1.73 . . 2 . . . . . . . . 4165 1 15 . 1 1 4 4 LYS HE2 H 1 3.02 . . 2 . . . . . . . . 4165 1 16 . 1 1 4 4 LYS HG2 H 1 1.50 . . 2 . . . . . . . . 4165 1 17 . 1 1 4 4 LYS CA C 13 55.99 . . 1 . . . . . . . . 4165 1 18 . 1 1 4 4 LYS CB C 13 33.43 . . 1 . . . . . . . . 4165 1 19 . 1 1 4 4 LYS CD C 13 29.08 . . 1 . . . . . . . . 4165 1 20 . 1 1 4 4 LYS CE C 13 42.17 . . 1 . . . . . . . . 4165 1 21 . 1 1 4 4 LYS CG C 13 25.17 . . 1 . . . . . . . . 4165 1 22 . 1 1 5 5 ARG N N 15 124.06 . . 1 . . . . . . . . 4165 1 23 . 1 1 5 5 ARG NE N 15 107.81 . . 1 . . . . . . . . 4165 1 24 . 1 1 5 5 ARG H H 1 8.90 . . 1 . . . . . . . . 4165 1 25 . 1 1 5 5 ARG HA H 1 4.44 . . 1 . . . . . . . . 4165 1 26 . 1 1 5 5 ARG HB2 H 1 1.81 . . 2 . . . . . . . . 4165 1 27 . 1 1 5 5 ARG HD2 H 1 3.40 . . 2 . . . . . . . . 4165 1 28 . 1 1 5 5 ARG HD3 H 1 3.54 . . 2 . . . . . . . . 4165 1 29 . 1 1 5 5 ARG HE H 1 6.71 . . 1 . . . . . . . . 4165 1 30 . 1 1 5 5 ARG CA C 13 56.45 . . 1 . . . . . . . . 4165 1 31 . 1 1 6 6 ARG N N 15 119.46 . . 1 . . . . . . . . 4165 1 32 . 1 1 6 6 ARG H H 1 8.35 . . 1 . . . . . . . . 4165 1 33 . 1 1 6 6 ARG HA H 1 5.52 . . 1 . . . . . . . . 4165 1 34 . 1 1 6 6 ARG HB2 H 1 1.62 . . 2 . . . . . . . . 4165 1 35 . 1 1 6 6 ARG HB3 H 1 1.58 . . 2 . . . . . . . . 4165 1 36 . 1 1 6 6 ARG HD2 H 1 3.03 . . 2 . . . . . . . . 4165 1 37 . 1 1 6 6 ARG HG2 H 1 1.30 . . 2 . . . . . . . . 4165 1 38 . 1 1 6 6 ARG HG3 H 1 1.50 . . 2 . . . . . . . . 4165 1 39 . 1 1 6 6 ARG CA C 13 53.54 . . 1 . . . . . . . . 4165 1 40 . 1 1 6 6 ARG CB C 13 34.93 . . 1 . . . . . . . . 4165 1 41 . 1 1 6 6 ARG CD C 13 43.40 . . 1 . . . . . . . . 4165 1 42 . 1 1 6 6 ARG CG C 13 28.43 . . 1 . . . . . . . . 4165 1 43 . 1 1 7 7 ASP N N 15 120.80 . . 1 . . . . . . . . 4165 1 44 . 1 1 7 7 ASP H H 1 9.01 . . 1 . . . . . . . . 4165 1 45 . 1 1 7 7 ASP HA H 1 4.72 . . 1 . . . . . . . . 4165 1 46 . 1 1 7 7 ASP HB2 H 1 2.82 . . 2 . . . . . . . . 4165 1 47 . 1 1 7 7 ASP HB3 H 1 3.55 . . 2 . . . . . . . . 4165 1 48 . 1 1 7 7 ASP CA C 13 52.26 . . 1 . . . . . . . . 4165 1 49 . 1 1 7 7 ASP CB C 13 41.98 . . 1 . . . . . . . . 4165 1 50 . 1 1 8 8 ASN N N 15 117.21 . . 1 . . . . . . . . 4165 1 51 . 1 1 8 8 ASN ND2 N 15 111.31 . . 1 . . . . . . . . 4165 1 52 . 1 1 8 8 ASN H H 1 9.14 . . 1 . . . . . . . . 4165 1 53 . 1 1 8 8 ASN HA H 1 4.50 . . 1 . . . . . . . . 4165 1 54 . 1 1 8 8 ASN HB2 H 1 2.83 . . 1 . . . . . . . . 4165 1 55 . 1 1 8 8 ASN HB3 H 1 3.23 . . 1 . . . . . . . . 4165 1 56 . 1 1 8 8 ASN HD21 H 1 7.60 . . 2 . . . . . . . . 4165 1 57 . 1 1 8 8 ASN HD22 H 1 6.96 . . 2 . . . . . . . . 4165 1 58 . 1 1 8 8 ASN CA C 13 54.73 . . 1 . . . . . . . . 4165 1 59 . 1 1 8 8 ASN CB C 13 36.77 . . 1 . . . . . . . . 4165 1 60 . 1 1 9 9 ARG N N 15 119.41 . . 1 . . . . . . . . 4165 1 61 . 1 1 9 9 ARG H H 1 8.02 . . 1 . . . . . . . . 4165 1 62 . 1 1 9 9 ARG HA H 1 4.55 . . 1 . . . . . . . . 4165 1 63 . 1 1 9 9 ARG HB2 H 1 2.25 . . 1 . . . . . . . . 4165 1 64 . 1 1 9 9 ARG HB3 H 1 1.79 . . 1 . . . . . . . . 4165 1 65 . 1 1 9 9 ARG HD2 H 1 3.16 . . 2 . . . . . . . . 4165 1 66 . 1 1 9 9 ARG HD3 H 1 3.21 . . 2 . . . . . . . . 4165 1 67 . 1 1 9 9 ARG HG2 H 1 1.74 . . 2 . . . . . . . . 4165 1 68 . 1 1 9 9 ARG HG3 H 1 1.78 . . 2 . . . . . . . . 4165 1 69 . 1 1 9 9 ARG CA C 13 55.33 . . 1 . . . . . . . . 4165 1 70 . 1 1 9 9 ARG CB C 13 31.81 . . 1 . . . . . . . . 4165 1 71 . 1 1 9 9 ARG CD C 13 44.41 . . 1 . . . . . . . . 4165 1 72 . 1 1 9 9 ARG CG C 13 26.95 . . 1 . . . . . . . . 4165 1 73 . 1 1 10 10 GLY N N 15 109.01 . . 1 . . . . . . . . 4165 1 74 . 1 1 10 10 GLY H H 1 8.11 . . 1 . . . . . . . . 4165 1 75 . 1 1 10 10 GLY HA2 H 1 4.28 . . 2 . . . . . . . . 4165 1 76 . 1 1 10 10 GLY HA3 H 1 3.67 . . 2 . . . . . . . . 4165 1 77 . 1 1 10 10 GLY CA C 13 46.01 . . 1 . . . . . . . . 4165 1 78 . 1 1 11 11 ARG N N 15 123.44 . . 1 . . . . . . . . 4165 1 79 . 1 1 11 11 ARG NE N 15 107.58 . . 1 . . . . . . . . 4165 1 80 . 1 1 11 11 ARG H H 1 9.12 . . 1 . . . . . . . . 4165 1 81 . 1 1 11 11 ARG HA H 1 4.41 . . 1 . . . . . . . . 4165 1 82 . 1 1 11 11 ARG HB2 H 1 1.60 . . 2 . . . . . . . . 4165 1 83 . 1 1 11 11 ARG HB3 H 1 1.87 . . 2 . . . . . . . . 4165 1 84 . 1 1 11 11 ARG HD2 H 1 3.21 . . 2 . . . . . . . . 4165 1 85 . 1 1 11 11 ARG HE H 1 8.60 . . 1 . . . . . . . . 4165 1 86 . 1 1 11 11 ARG CA C 13 56.99 . . 1 . . . . . . . . 4165 1 87 . 1 1 11 11 ARG CB C 13 29.38 . . 1 . . . . . . . . 4165 1 88 . 1 1 12 12 ILE N N 15 121.35 . . 1 . . . . . . . . 4165 1 89 . 1 1 12 12 ILE H H 1 8.39 . . 1 . . . . . . . . 4165 1 90 . 1 1 12 12 ILE HA H 1 4.14 . . 1 . . . . . . . . 4165 1 91 . 1 1 12 12 ILE HB H 1 1.73 . . 1 . . . . . . . . 4165 1 92 . 1 1 12 12 ILE HD11 H 1 0.87 . . 1 . . . . . . . . 4165 1 93 . 1 1 12 12 ILE HD12 H 1 0.87 . . 1 . . . . . . . . 4165 1 94 . 1 1 12 12 ILE HD13 H 1 0.87 . . 1 . . . . . . . . 4165 1 95 . 1 1 12 12 ILE HG12 H 1 1.13 . . 2 . . . . . . . . 4165 1 96 . 1 1 12 12 ILE HG13 H 1 1.68 . . 2 . . . . . . . . 4165 1 97 . 1 1 12 12 ILE HG21 H 1 0.88 . . 1 . . . . . . . . 4165 1 98 . 1 1 12 12 ILE HG22 H 1 0.88 . . 1 . . . . . . . . 4165 1 99 . 1 1 12 12 ILE HG23 H 1 0.88 . . 1 . . . . . . . . 4165 1 100 . 1 1 12 12 ILE CA C 13 61.86 . . 1 . . . . . . . . 4165 1 101 . 1 1 12 12 ILE CB C 13 38.55 . . 1 . . . . . . . . 4165 1 102 . 1 1 12 12 ILE CD1 C 13 12.70 . . 1 . . . . . . . . 4165 1 103 . 1 1 12 12 ILE CG1 C 13 28.68 . . 1 . . . . . . . . 4165 1 104 . 1 1 12 12 ILE CG2 C 13 17.85 . . 1 . . . . . . . . 4165 1 105 . 1 1 13 13 LEU N N 15 128.22 . . 1 . . . . . . . . 4165 1 106 . 1 1 13 13 LEU H H 1 8.28 . . 1 . . . . . . . . 4165 1 107 . 1 1 13 13 LEU HA H 1 4.51 . . 1 . . . . . . . . 4165 1 108 . 1 1 13 13 LEU HB2 H 1 1.47 . . 2 . . . . . . . . 4165 1 109 . 1 1 13 13 LEU HB3 H 1 1.52 . . 2 . . . . . . . . 4165 1 110 . 1 1 13 13 LEU HD21 H 1 0.81 . . 2 . . . . . . . . 4165 1 111 . 1 1 13 13 LEU HD22 H 1 0.81 . . 2 . . . . . . . . 4165 1 112 . 1 1 13 13 LEU HD23 H 1 0.81 . . 2 . . . . . . . . 4165 1 113 . 1 1 13 13 LEU HD11 H 1 0.93 . . 2 . . . . . . . . 4165 1 114 . 1 1 13 13 LEU HD12 H 1 0.93 . . 2 . . . . . . . . 4165 1 115 . 1 1 13 13 LEU HD13 H 1 0.93 . . 2 . . . . . . . . 4165 1 116 . 1 1 13 13 LEU HG H 1 1.71 . . 1 . . . . . . . . 4165 1 117 . 1 1 13 13 LEU CA C 13 53.43 . . 1 . . . . . . . . 4165 1 118 . 1 1 13 13 LEU CB C 13 43.43 . . 1 . . . . . . . . 4165 1 119 . 1 1 13 13 LEU CD1 C 13 23.51 . . 2 . . . . . . . . 4165 1 120 . 1 1 13 13 LEU CD2 C 13 27.17 . . 2 . . . . . . . . 4165 1 121 . 1 1 13 13 LEU CG C 13 26.87 . . 1 . . . . . . . . 4165 1 122 . 1 1 14 14 LYS N N 15 123.48 . . 1 . . . . . . . . 4165 1 123 . 1 1 14 14 LYS H H 1 9.19 . . 1 . . . . . . . . 4165 1 124 . 1 1 14 14 LYS HA H 1 4.49 . . 1 . . . . . . . . 4165 1 125 . 1 1 14 14 LYS HB2 H 1 2.05 . . 2 . . . . . . . . 4165 1 126 . 1 1 14 14 LYS HB3 H 1 1.49 . . 2 . . . . . . . . 4165 1 127 . 1 1 14 14 LYS HD2 H 1 1.63 . . 2 . . . . . . . . 4165 1 128 . 1 1 14 14 LYS HE2 H 1 2.88 . . 2 . . . . . . . . 4165 1 129 . 1 1 14 14 LYS HG2 H 1 1.47 . . 2 . . . . . . . . 4165 1 130 . 1 1 14 14 LYS HG3 H 1 1.36 . . 2 . . . . . . . . 4165 1 131 . 1 1 14 14 LYS CA C 13 54.51 . . 1 . . . . . . . . 4165 1 132 . 1 1 14 14 LYS CB C 13 34.23 . . 1 . . . . . . . . 4165 1 133 . 1 1 14 14 LYS CD C 13 28.95 . . 1 . . . . . . . . 4165 1 134 . 1 1 14 14 LYS CE C 13 42.07 . . 1 . . . . . . . . 4165 1 135 . 1 1 14 14 LYS CG C 13 25.81 . . 1 . . . . . . . . 4165 1 136 . 1 1 15 15 THR N N 15 116.19 . . 1 . . . . . . . . 4165 1 137 . 1 1 15 15 THR H H 1 8.03 . . 1 . . . . . . . . 4165 1 138 . 1 1 15 15 THR HA H 1 4.22 . . 1 . . . . . . . . 4165 1 139 . 1 1 15 15 THR HB H 1 3.99 . . 1 . . . . . . . . 4165 1 140 . 1 1 15 15 THR HG21 H 1 1.40 . . 1 . . . . . . . . 4165 1 141 . 1 1 15 15 THR HG22 H 1 1.40 . . 1 . . . . . . . . 4165 1 142 . 1 1 15 15 THR HG23 H 1 1.40 . . 1 . . . . . . . . 4165 1 143 . 1 1 15 15 THR CA C 13 65.09 . . 1 . . . . . . . . 4165 1 144 . 1 1 15 15 THR CB C 13 69.32 . . 1 . . . . . . . . 4165 1 145 . 1 1 15 15 THR CG2 C 13 22.33 . . 1 . . . . . . . . 4165 1 146 . 1 1 16 16 GLY N N 15 118.37 . . 1 . . . . . . . . 4165 1 147 . 1 1 16 16 GLY H H 1 10.13 . . 1 . . . . . . . . 4165 1 148 . 1 1 16 16 GLY HA2 H 1 3.72 . . 2 . . . . . . . . 4165 1 149 . 1 1 16 16 GLY HA3 H 1 4.44 . . 2 . . . . . . . . 4165 1 150 . 1 1 16 16 GLY CA C 13 45.83 . . 1 . . . . . . . . 4165 1 151 . 1 1 17 17 GLU N N 15 120.36 . . 1 . . . . . . . . 4165 1 152 . 1 1 17 17 GLU H H 1 8.64 . . 1 . . . . . . . . 4165 1 153 . 1 1 17 17 GLU HA H 1 5.71 . . 1 . . . . . . . . 4165 1 154 . 1 1 17 17 GLU HB2 H 1 1.77 . . 2 . . . . . . . . 4165 1 155 . 1 1 17 17 GLU HB3 H 1 2.82 . . 2 . . . . . . . . 4165 1 156 . 1 1 17 17 GLU HG2 H 1 2.10 . . 2 . . . . . . . . 4165 1 157 . 1 1 17 17 GLU HG3 H 1 2.17 . . 2 . . . . . . . . 4165 1 158 . 1 1 17 17 GLU CA C 13 54.74 . . 1 . . . . . . . . 4165 1 159 . 1 1 17 17 GLU CB C 13 32.98 . . 1 . . . . . . . . 4165 1 160 . 1 1 17 17 GLU CG C 13 36.61 . . 1 . . . . . . . . 4165 1 161 . 1 1 18 18 SER N N 15 117.90 . . 1 . . . . . . . . 4165 1 162 . 1 1 18 18 SER H H 1 10.18 . . 1 . . . . . . . . 4165 1 163 . 1 1 18 18 SER HA H 1 4.64 . . 1 . . . . . . . . 4165 1 164 . 1 1 18 18 SER HB2 H 1 3.87 . . 2 . . . . . . . . 4165 1 165 . 1 1 18 18 SER HB3 H 1 3.91 . . 2 . . . . . . . . 4165 1 166 . 1 1 18 18 SER CA C 13 58.75 . . 1 . . . . . . . . 4165 1 167 . 1 1 18 18 SER CB C 13 65.23 . . 1 . . . . . . . . 4165 1 168 . 1 1 19 19 GLN N N 15 121.47 . . 1 . . . . . . . . 4165 1 169 . 1 1 19 19 GLN NE2 N 15 110.86 . . 1 . . . . . . . . 4165 1 170 . 1 1 19 19 GLN H H 1 9.42 . . 1 . . . . . . . . 4165 1 171 . 1 1 19 19 GLN HA H 1 4.91 . . 1 . . . . . . . . 4165 1 172 . 1 1 19 19 GLN HB2 H 1 1.44 . . 2 . . . . . . . . 4165 1 173 . 1 1 19 19 GLN HB3 H 1 2.18 . . 2 . . . . . . . . 4165 1 174 . 1 1 19 19 GLN HE21 H 1 6.79 . . 2 . . . . . . . . 4165 1 175 . 1 1 19 19 GLN HE22 H 1 7.08 . . 2 . . . . . . . . 4165 1 176 . 1 1 19 19 GLN HG2 H 1 1.46 . . 2 . . . . . . . . 4165 1 177 . 1 1 19 19 GLN HG3 H 1 2.33 . . 2 . . . . . . . . 4165 1 178 . 1 1 19 19 GLN CA C 13 54.88 . . 1 . . . . . . . . 4165 1 179 . 1 1 19 19 GLN CB C 13 31.30 . . 1 . . . . . . . . 4165 1 180 . 1 1 19 19 GLN CG C 13 33.37 . . 1 . . . . . . . . 4165 1 181 . 1 1 20 20 ARG N N 15 127.86 . . 1 . . . . . . . . 4165 1 182 . 1 1 20 20 ARG NE N 15 107.36 . . 1 . . . . . . . . 4165 1 183 . 1 1 20 20 ARG H H 1 9.19 . . 1 . . . . . . . . 4165 1 184 . 1 1 20 20 ARG HA H 1 4.48 . . 1 . . . . . . . . 4165 1 185 . 1 1 20 20 ARG HB2 H 1 2.03 . . 2 . . . . . . . . 4165 1 186 . 1 1 20 20 ARG HD2 H 1 3.05 . . 2 . . . . . . . . 4165 1 187 . 1 1 20 20 ARG HD3 H 1 3.53 . . 2 . . . . . . . . 4165 1 188 . 1 1 20 20 ARG HE H 1 7.93 . . 1 . . . . . . . . 4165 1 189 . 1 1 20 20 ARG CA C 13 55.24 . . 1 . . . . . . . . 4165 1 190 . 1 1 20 20 ARG CB C 13 31.62 . . 1 . . . . . . . . 4165 1 191 . 1 1 20 20 ARG CD C 13 43.39 . . 1 . . . . . . . . 4165 1 192 . 1 1 21 21 LYS N N 15 123.22 . . 1 . . . . . . . . 4165 1 193 . 1 1 21 21 LYS H H 1 9.43 . . 1 . . . . . . . . 4165 1 194 . 1 1 21 21 LYS HA H 1 4.01 . . 1 . . . . . . . . 4165 1 195 . 1 1 21 21 LYS HB2 H 1 1.85 . . 2 . . . . . . . . 4165 1 196 . 1 1 21 21 LYS HD2 H 1 1.79 . . 2 . . . . . . . . 4165 1 197 . 1 1 21 21 LYS HE2 H 1 3.05 . . 2 . . . . . . . . 4165 1 198 . 1 1 21 21 LYS HG2 H 1 1.54 . . 2 . . . . . . . . 4165 1 199 . 1 1 21 21 LYS HG3 H 1 1.73 . . 2 . . . . . . . . 4165 1 200 . 1 1 21 21 LYS CA C 13 59.44 . . 1 . . . . . . . . 4165 1 201 . 1 1 21 21 LYS CB C 13 32.27 . . 1 . . . . . . . . 4165 1 202 . 1 1 21 21 LYS CD C 13 29.33 . . 1 . . . . . . . . 4165 1 203 . 1 1 21 21 LYS CE C 13 41.86 . . 1 . . . . . . . . 4165 1 204 . 1 1 21 21 LYS CG C 13 25.42 . . 1 . . . . . . . . 4165 1 205 . 1 1 22 22 ASP N N 15 114.82 . . 1 . . . . . . . . 4165 1 206 . 1 1 22 22 ASP H H 1 7.92 . . 1 . . . . . . . . 4165 1 207 . 1 1 22 22 ASP HA H 1 4.48 . . 1 . . . . . . . . 4165 1 208 . 1 1 22 22 ASP HB2 H 1 2.63 . . 2 . . . . . . . . 4165 1 209 . 1 1 22 22 ASP HB3 H 1 3.17 . . 2 . . . . . . . . 4165 1 210 . 1 1 22 22 ASP CA C 13 53.81 . . 1 . . . . . . . . 4165 1 211 . 1 1 22 22 ASP CB C 13 39.33 . . 1 . . . . . . . . 4165 1 212 . 1 1 23 23 GLY N N 15 107.86 . . 1 . . . . . . . . 4165 1 213 . 1 1 23 23 GLY H H 1 8.06 . . 1 . . . . . . . . 4165 1 214 . 1 1 23 23 GLY HA2 H 1 3.44 . . 2 . . . . . . . . 4165 1 215 . 1 1 23 23 GLY HA3 H 1 4.62 . . 2 . . . . . . . . 4165 1 216 . 1 1 23 23 GLY CA C 13 44.42 . . 1 . . . . . . . . 4165 1 217 . 1 1 24 24 ARG N N 15 125.41 . . 1 . . . . . . . . 4165 1 218 . 1 1 24 24 ARG NE N 15 108.52 . . 1 . . . . . . . . 4165 1 219 . 1 1 24 24 ARG H H 1 7.28 . . 1 . . . . . . . . 4165 1 220 . 1 1 24 24 ARG HA H 1 3.50 . . 1 . . . . . . . . 4165 1 221 . 1 1 24 24 ARG HB2 H 1 0.42 . . 2 . . . . . . . . 4165 1 222 . 1 1 24 24 ARG HB3 H 1 0.62 . . 2 . . . . . . . . 4165 1 223 . 1 1 24 24 ARG HD2 H 1 2.90 . . 2 . . . . . . . . 4165 1 224 . 1 1 24 24 ARG HD3 H 1 2.60 . . 2 . . . . . . . . 4165 1 225 . 1 1 24 24 ARG HE H 1 7.50 . . 1 . . . . . . . . 4165 1 226 . 1 1 24 24 ARG HG2 H 1 0.57 . . 2 . . . . . . . . 4165 1 227 . 1 1 24 24 ARG HG3 H 1 1.41 . . 2 . . . . . . . . 4165 1 228 . 1 1 24 24 ARG CA C 13 56.23 . . 1 . . . . . . . . 4165 1 229 . 1 1 24 24 ARG CB C 13 30.33 . . 1 . . . . . . . . 4165 1 230 . 1 1 24 24 ARG CD C 13 42.91 . . 1 . . . . . . . . 4165 1 231 . 1 1 24 24 ARG CG C 13 25.26 . . 1 . . . . . . . . 4165 1 232 . 1 1 25 25 TYR N N 15 120.73 . . 1 . . . . . . . . 4165 1 233 . 1 1 25 25 TYR H H 1 8.61 . . 1 . . . . . . . . 4165 1 234 . 1 1 25 25 TYR HA H 1 5.10 . . 1 . . . . . . . . 4165 1 235 . 1 1 25 25 TYR HB2 H 1 3.14 . . 2 . . . . . . . . 4165 1 236 . 1 1 25 25 TYR HD1 H 1 7.01 . . 3 . . . . . . . . 4165 1 237 . 1 1 25 25 TYR HE1 H 1 6.88 . . 3 . . . . . . . . 4165 1 238 . 1 1 25 25 TYR HH H 1 11.03 . . 1 . . . . . . . . 4165 1 239 . 1 1 25 25 TYR CA C 13 58.93 . . 1 . . . . . . . . 4165 1 240 . 1 1 25 25 TYR CB C 13 41.43 . . 1 . . . . . . . . 4165 1 241 . 1 1 25 25 TYR CD1 C 13 133.10 . . 3 . . . . . . . . 4165 1 242 . 1 1 25 25 TYR CE1 C 13 118.43 . . 3 . . . . . . . . 4165 1 243 . 1 1 26 26 LEU N N 15 122.29 . . 1 . . . . . . . . 4165 1 244 . 1 1 26 26 LEU H H 1 9.12 . . 1 . . . . . . . . 4165 1 245 . 1 1 26 26 LEU HA H 1 5.26 . . 1 . . . . . . . . 4165 1 246 . 1 1 26 26 LEU HB2 H 1 1.70 . . 2 . . . . . . . . 4165 1 247 . 1 1 26 26 LEU HB3 H 1 1.11 . . 2 . . . . . . . . 4165 1 248 . 1 1 26 26 LEU HD11 H 1 0.56 . . 2 . . . . . . . . 4165 1 249 . 1 1 26 26 LEU HD12 H 1 0.56 . . 2 . . . . . . . . 4165 1 250 . 1 1 26 26 LEU HD13 H 1 0.56 . . 2 . . . . . . . . 4165 1 251 . 1 1 26 26 LEU HD21 H 1 0.88 . . 2 . . . . . . . . 4165 1 252 . 1 1 26 26 LEU HD22 H 1 0.88 . . 2 . . . . . . . . 4165 1 253 . 1 1 26 26 LEU HD23 H 1 0.88 . . 2 . . . . . . . . 4165 1 254 . 1 1 26 26 LEU HG H 1 1.43 . . 1 . . . . . . . . 4165 1 255 . 1 1 26 26 LEU CA C 13 53.09 . . 1 . . . . . . . . 4165 1 256 . 1 1 26 26 LEU CB C 13 46.33 . . 1 . . . . . . . . 4165 1 257 . 1 1 26 26 LEU CD1 C 13 24.59 . . 2 . . . . . . . . 4165 1 258 . 1 1 26 26 LEU CD2 C 13 28.20 . . 2 . . . . . . . . 4165 1 259 . 1 1 26 26 LEU CG C 13 27.33 . . 1 . . . . . . . . 4165 1 260 . 1 1 27 27 TYR N N 15 125.44 . . 1 . . . . . . . . 4165 1 261 . 1 1 27 27 TYR H H 1 9.66 . . 1 . . . . . . . . 4165 1 262 . 1 1 27 27 TYR HA H 1 5.56 . . 1 . . . . . . . . 4165 1 263 . 1 1 27 27 TYR HB2 H 1 2.73 . . 2 . . . . . . . . 4165 1 264 . 1 1 27 27 TYR HD1 H 1 6.72 . . 3 . . . . . . . . 4165 1 265 . 1 1 27 27 TYR HE1 H 1 6.61 . . 3 . . . . . . . . 4165 1 266 . 1 1 27 27 TYR CA C 13 55.83 . . 1 . . . . . . . . 4165 1 267 . 1 1 27 27 TYR CB C 13 41.73 . . 1 . . . . . . . . 4165 1 268 . 1 1 27 27 TYR CD1 C 13 133.01 . . 3 . . . . . . . . 4165 1 269 . 1 1 27 27 TYR CE1 C 13 118.23 . . 3 . . . . . . . . 4165 1 270 . 1 1 28 28 LYS N N 15 128.89 . . 1 . . . . . . . . 4165 1 271 . 1 1 28 28 LYS H H 1 7.97 . . 1 . . . . . . . . 4165 1 272 . 1 1 28 28 LYS HA H 1 5.15 . . 1 . . . . . . . . 4165 1 273 . 1 1 28 28 LYS HB2 H 1 1.40 . . 2 . . . . . . . . 4165 1 274 . 1 1 28 28 LYS HD2 H 1 1.21 . . 2 . . . . . . . . 4165 1 275 . 1 1 28 28 LYS HD3 H 1 1.39 . . 2 . . . . . . . . 4165 1 276 . 1 1 28 28 LYS HE2 H 1 2.64 . . 2 . . . . . . . . 4165 1 277 . 1 1 28 28 LYS HE3 H 1 2.70 . . 2 . . . . . . . . 4165 1 278 . 1 1 28 28 LYS HG2 H 1 0.37 . . 2 . . . . . . . . 4165 1 279 . 1 1 28 28 LYS CA C 13 53.03 . . 1 . . . . . . . . 4165 1 280 . 1 1 28 28 LYS CB C 13 35.34 . . 1 . . . . . . . . 4165 1 281 . 1 1 28 28 LYS CD C 13 31.11 . . 1 . . . . . . . . 4165 1 282 . 1 1 28 28 LYS CE C 13 41.58 . . 1 . . . . . . . . 4165 1 283 . 1 1 28 28 LYS CG C 13 24.28 . . 1 . . . . . . . . 4165 1 284 . 1 1 29 29 TYR N N 15 124.32 . . 1 . . . . . . . . 4165 1 285 . 1 1 29 29 TYR H H 1 8.14 . . 1 . . . . . . . . 4165 1 286 . 1 1 29 29 TYR HA H 1 4.72 . . 1 . . . . . . . . 4165 1 287 . 1 1 29 29 TYR HB2 H 1 2.47 . . 2 . . . . . . . . 4165 1 288 . 1 1 29 29 TYR HB3 H 1 2.87 . . 2 . . . . . . . . 4165 1 289 . 1 1 29 29 TYR HD1 H 1 6.71 . . 3 . . . . . . . . 4165 1 290 . 1 1 29 29 TYR HE1 H 1 6.63 . . 3 . . . . . . . . 4165 1 291 . 1 1 29 29 TYR CA C 13 54.81 . . 1 . . . . . . . . 4165 1 292 . 1 1 29 29 TYR CB C 13 40.16 . . 1 . . . . . . . . 4165 1 293 . 1 1 29 29 TYR CD1 C 13 133.98 . . 3 . . . . . . . . 4165 1 294 . 1 1 29 29 TYR CE1 C 13 117.63 . . 3 . . . . . . . . 4165 1 295 . 1 1 30 30 ILE N N 15 120.77 . . 1 . . . . . . . . 4165 1 296 . 1 1 30 30 ILE H H 1 8.61 . . 1 . . . . . . . . 4165 1 297 . 1 1 30 30 ILE HA H 1 4.25 . . 1 . . . . . . . . 4165 1 298 . 1 1 30 30 ILE HB H 1 1.91 . . 1 . . . . . . . . 4165 1 299 . 1 1 30 30 ILE HD11 H 1 0.66 . . 1 . . . . . . . . 4165 1 300 . 1 1 30 30 ILE HD12 H 1 0.66 . . 1 . . . . . . . . 4165 1 301 . 1 1 30 30 ILE HD13 H 1 0.66 . . 1 . . . . . . . . 4165 1 302 . 1 1 30 30 ILE HG21 H 1 1.39 . . 1 . . . . . . . . 4165 1 303 . 1 1 30 30 ILE HG22 H 1 1.39 . . 1 . . . . . . . . 4165 1 304 . 1 1 30 30 ILE HG23 H 1 1.39 . . 1 . . . . . . . . 4165 1 305 . 1 1 30 30 ILE HG12 H 1 1.32 . . 2 . . . . . . . . 4165 1 306 . 1 1 30 30 ILE HG13 H 1 0.88 . . 2 . . . . . . . . 4165 1 307 . 1 1 30 30 ILE CA C 13 58.62 . . 1 . . . . . . . . 4165 1 308 . 1 1 30 30 ILE CB C 13 36.89 . . 1 . . . . . . . . 4165 1 309 . 1 1 30 30 ILE CD1 C 13 10.57 . . 1 . . . . . . . . 4165 1 310 . 1 1 30 30 ILE CG1 C 13 27.13 . . 1 . . . . . . . . 4165 1 311 . 1 1 30 30 ILE CG2 C 13 17.53 . . 1 . . . . . . . . 4165 1 312 . 1 1 31 31 ASP N N 15 128.46 . . 1 . . . . . . . . 4165 1 313 . 1 1 31 31 ASP H H 1 8.65 . . 1 . . . . . . . . 4165 1 314 . 1 1 31 31 ASP HA H 1 4.71 . . 1 . . . . . . . . 4165 1 315 . 1 1 31 31 ASP HB2 H 1 2.67 . . 2 . . . . . . . . 4165 1 316 . 1 1 31 31 ASP HB3 H 1 3.61 . . 2 . . . . . . . . 4165 1 317 . 1 1 31 31 ASP CA C 13 53.23 . . 1 . . . . . . . . 4165 1 318 . 1 1 31 31 ASP CB C 13 41.70 . . 1 . . . . . . . . 4165 1 319 . 1 1 32 32 SER N N 15 112.84 . . 1 . . . . . . . . 4165 1 320 . 1 1 32 32 SER H H 1 8.32 . . 1 . . . . . . . . 4165 1 321 . 1 1 32 32 SER HA H 1 4.11 . . 1 . . . . . . . . 4165 1 322 . 1 1 32 32 SER HB2 H 1 3.56 . . 2 . . . . . . . . 4165 1 323 . 1 1 32 32 SER HB3 H 1 3.69 . . 2 . . . . . . . . 4165 1 324 . 1 1 32 32 SER CA C 13 61.03 . . 1 . . . . . . . . 4165 1 325 . 1 1 32 32 SER CB C 13 62.71 . . 1 . . . . . . . . 4165 1 326 . 1 1 33 33 PHE N N 15 121.06 . . 1 . . . . . . . . 4165 1 327 . 1 1 33 33 PHE H H 1 8.42 . . 1 . . . . . . . . 4165 1 328 . 1 1 33 33 PHE HA H 1 4.63 . . 1 . . . . . . . . 4165 1 329 . 1 1 33 33 PHE HB2 H 1 3.46 . . 1 . . . . . . . . 4165 1 330 . 1 1 33 33 PHE HB3 H 1 3.16 . . 1 . . . . . . . . 4165 1 331 . 1 1 33 33 PHE HD1 H 1 7.28 . . 3 . . . . . . . . 4165 1 332 . 1 1 33 33 PHE CA C 13 57.48 . . 1 . . . . . . . . 4165 1 333 . 1 1 33 33 PHE CB C 13 38.87 . . 1 . . . . . . . . 4165 1 334 . 1 1 33 33 PHE CD1 C 13 132.23 . . 3 . . . . . . . . 4165 1 335 . 1 1 34 34 GLY N N 15 108.75 . . 1 . . . . . . . . 4165 1 336 . 1 1 34 34 GLY H H 1 8.20 . . 1 . . . . . . . . 4165 1 337 . 1 1 34 34 GLY HA2 H 1 3.55 . . 2 . . . . . . . . 4165 1 338 . 1 1 34 34 GLY HA3 H 1 4.26 . . 2 . . . . . . . . 4165 1 339 . 1 1 34 34 GLY CA C 13 45.34 . . 1 . . . . . . . . 4165 1 340 . 1 1 35 35 GLU N N 15 123.38 . . 1 . . . . . . . . 4165 1 341 . 1 1 35 35 GLU H H 1 8.62 . . 1 . . . . . . . . 4165 1 342 . 1 1 35 35 GLU HA H 1 4.87 . . 1 . . . . . . . . 4165 1 343 . 1 1 35 35 GLU HB2 H 1 2.03 . . 2 . . . . . . . . 4165 1 344 . 1 1 35 35 GLU HB3 H 1 2.10 . . 2 . . . . . . . . 4165 1 345 . 1 1 35 35 GLU HG2 H 1 2.16 . . 2 . . . . . . . . 4165 1 346 . 1 1 35 35 GLU HG3 H 1 2.38 . . 2 . . . . . . . . 4165 1 347 . 1 1 35 35 GLU CA C 13 53.27 . . 1 . . . . . . . . 4165 1 348 . 1 1 35 35 GLU CB C 13 30.03 . . 1 . . . . . . . . 4165 1 349 . 1 1 35 35 GLU CG C 13 35.33 . . 1 . . . . . . . . 4165 1 350 . 1 1 36 36 PRO HA H 1 4.68 . . 1 . . . . . . . . 4165 1 351 . 1 1 36 36 PRO HB2 H 1 1.85 . . 2 . . . . . . . . 4165 1 352 . 1 1 36 36 PRO HB3 H 1 1.68 . . 2 . . . . . . . . 4165 1 353 . 1 1 36 36 PRO HD2 H 1 3.88 . . 2 . . . . . . . . 4165 1 354 . 1 1 36 36 PRO HG2 H 1 2.08 . . 2 . . . . . . . . 4165 1 355 . 1 1 36 36 PRO HG3 H 1 2.24 . . 2 . . . . . . . . 4165 1 356 . 1 1 36 36 PRO CA C 13 62.27 . . 1 . . . . . . . . 4165 1 357 . 1 1 36 36 PRO CB C 13 31.93 . . 1 . . . . . . . . 4165 1 358 . 1 1 36 36 PRO CD C 13 50.63 . . 1 . . . . . . . . 4165 1 359 . 1 1 36 36 PRO CG C 13 27.38 . . 1 . . . . . . . . 4165 1 360 . 1 1 37 37 GLN N N 15 121.24 . . 1 . . . . . . . . 4165 1 361 . 1 1 37 37 GLN NE2 N 15 113.36 . . 1 . . . . . . . . 4165 1 362 . 1 1 37 37 GLN H H 1 8.62 . . 1 . . . . . . . . 4165 1 363 . 1 1 37 37 GLN HA H 1 4.59 . . 1 . . . . . . . . 4165 1 364 . 1 1 37 37 GLN HB2 H 1 2.11 . . 2 . . . . . . . . 4165 1 365 . 1 1 37 37 GLN HE21 H 1 7.07 . . 2 . . . . . . . . 4165 1 366 . 1 1 37 37 GLN HE22 H 1 6.90 . . 2 . . . . . . . . 4165 1 367 . 1 1 37 37 GLN HG2 H 1 0.55 . . 2 . . . . . . . . 4165 1 368 . 1 1 37 37 GLN HG3 H 1 1.80 . . 2 . . . . . . . . 4165 1 369 . 1 1 37 37 GLN CA C 13 53.28 . . 1 . . . . . . . . 4165 1 370 . 1 1 37 37 GLN CB C 13 32.73 . . 1 . . . . . . . . 4165 1 371 . 1 1 37 37 GLN CG C 13 30.93 . . 1 . . . . . . . . 4165 1 372 . 1 1 38 38 PHE N N 15 118.81 . . 1 . . . . . . . . 4165 1 373 . 1 1 38 38 PHE H H 1 8.73 . . 1 . . . . . . . . 4165 1 374 . 1 1 38 38 PHE HA H 1 4.79 . . 1 . . . . . . . . 4165 1 375 . 1 1 38 38 PHE HB2 H 1 2.43 . . 2 . . . . . . . . 4165 1 376 . 1 1 38 38 PHE HB3 H 1 2.98 . . 2 . . . . . . . . 4165 1 377 . 1 1 38 38 PHE HD1 H 1 7.28 . . 3 . . . . . . . . 4165 1 378 . 1 1 38 38 PHE HE1 H 1 7.11 . . 3 . . . . . . . . 4165 1 379 . 1 1 38 38 PHE CA C 13 57.05 . . 1 . . . . . . . . 4165 1 380 . 1 1 38 38 PHE CB C 13 40.28 . . 1 . . . . . . . . 4165 1 381 . 1 1 38 38 PHE CD1 C 13 132.40 . . 3 . . . . . . . . 4165 1 382 . 1 1 38 38 PHE CE1 C 13 131.09 . . 3 . . . . . . . . 4165 1 383 . 1 1 39 39 VAL N N 15 125.25 . . 1 . . . . . . . . 4165 1 384 . 1 1 39 39 VAL H H 1 9.00 . . 1 . . . . . . . . 4165 1 385 . 1 1 39 39 VAL HA H 1 4.33 . . 1 . . . . . . . . 4165 1 386 . 1 1 39 39 VAL HB H 1 2.35 . . 1 . . . . . . . . 4165 1 387 . 1 1 39 39 VAL HG11 H 1 1.21 . . 2 . . . . . . . . 4165 1 388 . 1 1 39 39 VAL HG12 H 1 1.21 . . 2 . . . . . . . . 4165 1 389 . 1 1 39 39 VAL HG13 H 1 1.21 . . 2 . . . . . . . . 4165 1 390 . 1 1 39 39 VAL HG21 H 1 1.12 . . 2 . . . . . . . . 4165 1 391 . 1 1 39 39 VAL HG22 H 1 1.12 . . 2 . . . . . . . . 4165 1 392 . 1 1 39 39 VAL HG23 H 1 1.12 . . 2 . . . . . . . . 4165 1 393 . 1 1 39 39 VAL CA C 13 61.65 . . 1 . . . . . . . . 4165 1 394 . 1 1 39 39 VAL CB C 13 34.93 . . 1 . . . . . . . . 4165 1 395 . 1 1 39 39 VAL CG1 C 13 22.53 . . 2 . . . . . . . . 4165 1 396 . 1 1 39 39 VAL CG2 C 13 21.40 . . 2 . . . . . . . . 4165 1 397 . 1 1 40 40 TYR N N 15 122.41 . . 1 . . . . . . . . 4165 1 398 . 1 1 40 40 TYR H H 1 9.27 . . 1 . . . . . . . . 4165 1 399 . 1 1 40 40 TYR HA H 1 5.87 . . 1 . . . . . . . . 4165 1 400 . 1 1 40 40 TYR HB2 H 1 2.79 . . 2 . . . . . . . . 4165 1 401 . 1 1 40 40 TYR HB3 H 1 3.16 . . 2 . . . . . . . . 4165 1 402 . 1 1 40 40 TYR HD1 H 1 7.07 . . 3 . . . . . . . . 4165 1 403 . 1 1 40 40 TYR HE1 H 1 6.59 . . 3 . . . . . . . . 4165 1 404 . 1 1 40 40 TYR HH H 1 10.80 . . 1 . . . . . . . . 4165 1 405 . 1 1 40 40 TYR CA C 13 56.45 . . 1 . . . . . . . . 4165 1 406 . 1 1 40 40 TYR CB C 13 42.63 . . 1 . . . . . . . . 4165 1 407 . 1 1 40 40 TYR CD1 C 13 133.38 . . 3 . . . . . . . . 4165 1 408 . 1 1 40 40 TYR CE1 C 13 117.65 . . 3 . . . . . . . . 4165 1 409 . 1 1 41 41 SER N N 15 109.90 . . 1 . . . . . . . . 4165 1 410 . 1 1 41 41 SER H H 1 8.53 . . 1 . . . . . . . . 4165 1 411 . 1 1 41 41 SER HA H 1 4.63 . . 1 . . . . . . . . 4165 1 412 . 1 1 41 41 SER HB2 H 1 4.18 . . 2 . . . . . . . . 4165 1 413 . 1 1 41 41 SER HB3 H 1 3.77 . . 2 . . . . . . . . 4165 1 414 . 1 1 41 41 SER HG H 1 5.72 . . 1 . . . . . . . . 4165 1 415 . 1 1 41 41 SER CA C 13 59.23 . . 1 . . . . . . . . 4165 1 416 . 1 1 41 41 SER CB C 13 64.23 . . 1 . . . . . . . . 4165 1 417 . 1 1 42 42 TRP N N 15 125.09 . . 1 . . . . . . . . 4165 1 418 . 1 1 42 42 TRP NE1 N 15 107.96 . . 1 . . . . . . . . 4165 1 419 . 1 1 42 42 TRP H H 1 8.70 . . 1 . . . . . . . . 4165 1 420 . 1 1 42 42 TRP HA H 1 4.81 . . 1 . . . . . . . . 4165 1 421 . 1 1 42 42 TRP HB2 H 1 3.62 . . 2 . . . . . . . . 4165 1 422 . 1 1 42 42 TRP HB3 H 1 3.14 . . 2 . . . . . . . . 4165 1 423 . 1 1 42 42 TRP HD1 H 1 7.61 . . 1 . . . . . . . . 4165 1 424 . 1 1 42 42 TRP HE1 H 1 11.38 . . 1 . . . . . . . . 4165 1 425 . 1 1 42 42 TRP HE3 H 1 7.82 . . 1 . . . . . . . . 4165 1 426 . 1 1 42 42 TRP HH2 H 1 7.15 . . 1 . . . . . . . . 4165 1 427 . 1 1 42 42 TRP HZ2 H 1 7.43 . . 1 . . . . . . . . 4165 1 428 . 1 1 42 42 TRP HZ3 H 1 6.98 . . 1 . . . . . . . . 4165 1 429 . 1 1 42 42 TRP CA C 13 60.61 . . 1 . . . . . . . . 4165 1 430 . 1 1 42 42 TRP CB C 13 33.03 . . 1 . . . . . . . . 4165 1 431 . 1 1 42 42 TRP CD1 C 13 126.30 . . 1 . . . . . . . . 4165 1 432 . 1 1 42 42 TRP CE3 C 13 119.84 . . 1 . . . . . . . . 4165 1 433 . 1 1 42 42 TRP CH2 C 13 125.06 . . 1 . . . . . . . . 4165 1 434 . 1 1 42 42 TRP CZ2 C 13 114.28 . . 1 . . . . . . . . 4165 1 435 . 1 1 42 42 TRP CZ3 C 13 122.71 . . 1 . . . . . . . . 4165 1 436 . 1 1 43 43 LYS N N 15 117.93 . . 1 . . . . . . . . 4165 1 437 . 1 1 43 43 LYS H H 1 8.63 . . 1 . . . . . . . . 4165 1 438 . 1 1 43 43 LYS HA H 1 4.70 . . 1 . . . . . . . . 4165 1 439 . 1 1 43 43 LYS HB2 H 1 2.08 . . 2 . . . . . . . . 4165 1 440 . 1 1 43 43 LYS HB3 H 1 1.30 . . 2 . . . . . . . . 4165 1 441 . 1 1 43 43 LYS HD2 H 1 1.57 . . 2 . . . . . . . . 4165 1 442 . 1 1 43 43 LYS HD3 H 1 1.79 . . 2 . . . . . . . . 4165 1 443 . 1 1 43 43 LYS HE2 H 1 2.99 . . 2 . . . . . . . . 4165 1 444 . 1 1 43 43 LYS HE3 H 1 3.12 . . 2 . . . . . . . . 4165 1 445 . 1 1 43 43 LYS HG2 H 1 1.11 . . 2 . . . . . . . . 4165 1 446 . 1 1 43 43 LYS CA C 13 54.97 . . 1 . . . . . . . . 4165 1 447 . 1 1 44 44 LEU N N 15 105.49 . . 1 . . . . . . . . 4165 1 448 . 1 1 44 44 LEU H H 1 9.70 . . 1 . . . . . . . . 4165 1 449 . 1 1 44 44 LEU HA H 1 3.90 . . 1 . . . . . . . . 4165 1 450 . 1 1 44 44 LEU HB2 H 1 -0.06 . . 2 . . . . . . . . 4165 1 451 . 1 1 44 44 LEU HB3 H 1 1.58 . . 2 . . . . . . . . 4165 1 452 . 1 1 44 44 LEU HD11 H 1 0.57 . . 2 . . . . . . . . 4165 1 453 . 1 1 44 44 LEU HD12 H 1 0.57 . . 2 . . . . . . . . 4165 1 454 . 1 1 44 44 LEU HD13 H 1 0.57 . . 2 . . . . . . . . 4165 1 455 . 1 1 44 44 LEU HD21 H 1 0.49 . . 2 . . . . . . . . 4165 1 456 . 1 1 44 44 LEU HD22 H 1 0.49 . . 2 . . . . . . . . 4165 1 457 . 1 1 44 44 LEU HD23 H 1 0.49 . . 2 . . . . . . . . 4165 1 458 . 1 1 44 44 LEU HG H 1 1.12 . . 1 . . . . . . . . 4165 1 459 . 1 1 44 44 LEU CA C 13 57.31 . . 1 . . . . . . . . 4165 1 460 . 1 1 44 44 LEU CB C 13 42.93 . . 1 . . . . . . . . 4165 1 461 . 1 1 44 44 LEU CD1 C 13 24.64 . . 2 . . . . . . . . 4165 1 462 . 1 1 44 44 LEU CD2 C 13 21.85 . . 2 . . . . . . . . 4165 1 463 . 1 1 44 44 LEU CG C 13 26.94 . . 1 . . . . . . . . 4165 1 464 . 1 1 45 45 VAL N N 15 106.46 . . 1 . . . . . . . . 4165 1 465 . 1 1 45 45 VAL H H 1 7.15 . . 1 . . . . . . . . 4165 1 466 . 1 1 45 45 VAL HA H 1 4.74 . . 1 . . . . . . . . 4165 1 467 . 1 1 45 45 VAL HB H 1 2.34 . . 1 . . . . . . . . 4165 1 468 . 1 1 45 45 VAL HG11 H 1 0.85 . . 2 . . . . . . . . 4165 1 469 . 1 1 45 45 VAL HG12 H 1 0.85 . . 2 . . . . . . . . 4165 1 470 . 1 1 45 45 VAL HG13 H 1 0.85 . . 2 . . . . . . . . 4165 1 471 . 1 1 45 45 VAL HG21 H 1 0.75 . . 2 . . . . . . . . 4165 1 472 . 1 1 45 45 VAL HG22 H 1 0.75 . . 2 . . . . . . . . 4165 1 473 . 1 1 45 45 VAL HG23 H 1 0.75 . . 2 . . . . . . . . 4165 1 474 . 1 1 45 45 VAL CA C 13 58.41 . . 1 . . . . . . . . 4165 1 475 . 1 1 45 45 VAL CB C 13 34.99 . . 1 . . . . . . . . 4165 1 476 . 1 1 45 45 VAL CG1 C 13 22.70 . . 2 . . . . . . . . 4165 1 477 . 1 1 45 45 VAL CG2 C 13 18.87 . . 2 . . . . . . . . 4165 1 478 . 1 1 46 46 ALA N N 15 122.74 . . 1 . . . . . . . . 4165 1 479 . 1 1 46 46 ALA H H 1 8.62 . . 1 . . . . . . . . 4165 1 480 . 1 1 46 46 ALA HA H 1 3.97 . . 1 . . . . . . . . 4165 1 481 . 1 1 46 46 ALA HB1 H 1 1.45 . . 1 . . . . . . . . 4165 1 482 . 1 1 46 46 ALA HB2 H 1 1.45 . . 1 . . . . . . . . 4165 1 483 . 1 1 46 46 ALA HB3 H 1 1.45 . . 1 . . . . . . . . 4165 1 484 . 1 1 46 46 ALA CA C 13 55.92 . . 1 . . . . . . . . 4165 1 485 . 1 1 46 46 ALA CB C 13 19.43 . . 1 . . . . . . . . 4165 1 486 . 1 1 47 47 THR N N 15 125.63 . . 1 . . . . . . . . 4165 1 487 . 1 1 47 47 THR H H 1 7.08 . . 1 . . . . . . . . 4165 1 488 . 1 1 47 47 THR HA H 1 4.20 . . 1 . . . . . . . . 4165 1 489 . 1 1 47 47 THR HB H 1 4.53 . . 1 . . . . . . . . 4165 1 490 . 1 1 47 47 THR HG21 H 1 1.23 . . 1 . . . . . . . . 4165 1 491 . 1 1 47 47 THR HG22 H 1 1.23 . . 1 . . . . . . . . 4165 1 492 . 1 1 47 47 THR HG23 H 1 1.23 . . 1 . . . . . . . . 4165 1 493 . 1 1 47 47 THR CA C 13 61.63 . . 1 . . . . . . . . 4165 1 494 . 1 1 47 47 THR CB C 13 68.83 . . 1 . . . . . . . . 4165 1 495 . 1 1 47 47 THR CG2 C 13 21.88 . . 1 . . . . . . . . 4165 1 496 . 1 1 48 48 ASP N N 15 123.69 . . 1 . . . . . . . . 4165 1 497 . 1 1 48 48 ASP H H 1 7.59 . . 1 . . . . . . . . 4165 1 498 . 1 1 48 48 ASP HA H 1 4.68 . . 1 . . . . . . . . 4165 1 499 . 1 1 48 48 ASP HB2 H 1 3.30 . . 1 . . . . . . . . 4165 1 500 . 1 1 48 48 ASP HB3 H 1 2.88 . . 1 . . . . . . . . 4165 1 501 . 1 1 48 48 ASP CB C 13 41.74 . . 1 . . . . . . . . 4165 1 502 . 1 1 49 49 ARG N N 15 118.10 . . 1 . . . . . . . . 4165 1 503 . 1 1 49 49 ARG H H 1 8.63 . . 1 . . . . . . . . 4165 1 504 . 1 1 49 49 ARG HA H 1 4.73 . . 1 . . . . . . . . 4165 1 505 . 1 1 49 49 ARG HB2 H 1 1.81 . . 2 . . . . . . . . 4165 1 506 . 1 1 49 49 ARG HB3 H 1 1.67 . . 2 . . . . . . . . 4165 1 507 . 1 1 49 49 ARG HD2 H 1 3.21 . . 2 . . . . . . . . 4165 1 508 . 1 1 49 49 ARG HG2 H 1 1.68 . . 2 . . . . . . . . 4165 1 509 . 1 1 49 49 ARG CA C 13 54.20 . . 1 . . . . . . . . 4165 1 510 . 1 1 49 49 ARG CB C 13 32.28 . . 1 . . . . . . . . 4165 1 511 . 1 1 49 49 ARG CD C 13 43.23 . . 1 . . . . . . . . 4165 1 512 . 1 1 49 49 ARG CG C 13 27.22 . . 1 . . . . . . . . 4165 1 513 . 1 1 50 50 VAL N N 15 120.92 . . 1 . . . . . . . . 4165 1 514 . 1 1 50 50 VAL H H 1 8.69 . . 1 . . . . . . . . 4165 1 515 . 1 1 50 50 VAL HA H 1 4.26 . . 1 . . . . . . . . 4165 1 516 . 1 1 50 50 VAL HB H 1 1.93 . . 1 . . . . . . . . 4165 1 517 . 1 1 50 50 VAL HG11 H 1 0.84 . . 2 . . . . . . . . 4165 1 518 . 1 1 50 50 VAL HG12 H 1 0.84 . . 2 . . . . . . . . 4165 1 519 . 1 1 50 50 VAL HG13 H 1 0.84 . . 2 . . . . . . . . 4165 1 520 . 1 1 50 50 VAL HG21 H 1 1.13 . . 2 . . . . . . . . 4165 1 521 . 1 1 50 50 VAL HG22 H 1 1.13 . . 2 . . . . . . . . 4165 1 522 . 1 1 50 50 VAL HG23 H 1 1.13 . . 2 . . . . . . . . 4165 1 523 . 1 1 50 50 VAL CA C 13 60.40 . . 1 . . . . . . . . 4165 1 524 . 1 1 50 50 VAL CB C 13 31.11 . . 1 . . . . . . . . 4165 1 525 . 1 1 50 50 VAL CG1 C 13 19.79 . . 2 . . . . . . . . 4165 1 526 . 1 1 50 50 VAL CG2 C 13 22.53 . . 2 . . . . . . . . 4165 1 527 . 1 1 51 51 PRO HA H 1 4.20 . . 1 . . . . . . . . 4165 1 528 . 1 1 51 51 PRO HB2 H 1 1.17 . . 2 . . . . . . . . 4165 1 529 . 1 1 51 51 PRO HB3 H 1 2.04 . . 2 . . . . . . . . 4165 1 530 . 1 1 51 51 PRO HD2 H 1 3.58 . . 2 . . . . . . . . 4165 1 531 . 1 1 51 51 PRO HD3 H 1 2.27 . . 2 . . . . . . . . 4165 1 532 . 1 1 51 51 PRO HG2 H 1 0.55 . . 2 . . . . . . . . 4165 1 533 . 1 1 51 51 PRO HG3 H 1 1.42 . . 2 . . . . . . . . 4165 1 534 . 1 1 51 51 PRO CA C 13 62.41 . . 1 . . . . . . . . 4165 1 535 . 1 1 51 51 PRO CB C 13 31.57 . . 1 . . . . . . . . 4165 1 536 . 1 1 51 51 PRO CD C 13 50.31 . . 1 . . . . . . . . 4165 1 537 . 1 1 51 51 PRO CG C 13 27.23 . . 1 . . . . . . . . 4165 1 538 . 1 1 52 52 ALA N N 15 122.83 . . 1 . . . . . . . . 4165 1 539 . 1 1 52 52 ALA H H 1 8.11 . . 1 . . . . . . . . 4165 1 540 . 1 1 52 52 ALA HA H 1 4.02 . . 1 . . . . . . . . 4165 1 541 . 1 1 52 52 ALA HB1 H 1 1.28 . . 1 . . . . . . . . 4165 1 542 . 1 1 52 52 ALA HB2 H 1 1.28 . . 1 . . . . . . . . 4165 1 543 . 1 1 52 52 ALA HB3 H 1 1.28 . . 1 . . . . . . . . 4165 1 544 . 1 1 52 52 ALA CA C 13 53.53 . . 1 . . . . . . . . 4165 1 545 . 1 1 52 52 ALA CB C 13 18.11 . . 1 . . . . . . . . 4165 1 546 . 1 1 53 53 GLY N N 15 111.06 . . 1 . . . . . . . . 4165 1 547 . 1 1 53 53 GLY H H 1 8.61 . . 1 . . . . . . . . 4165 1 548 . 1 1 53 53 GLY HA2 H 1 3.63 . . 2 . . . . . . . . 4165 1 549 . 1 1 53 53 GLY HA3 H 1 4.20 . . 2 . . . . . . . . 4165 1 550 . 1 1 53 53 GLY CA C 13 45.18 . . 1 . . . . . . . . 4165 1 551 . 1 1 54 54 LYS N N 15 117.90 . . 1 . . . . . . . . 4165 1 552 . 1 1 54 54 LYS H H 1 7.43 . . 1 . . . . . . . . 4165 1 553 . 1 1 54 54 LYS HA H 1 4.52 . . 1 . . . . . . . . 4165 1 554 . 1 1 54 54 LYS HB2 H 1 2.10 . . 1 . . . . . . . . 4165 1 555 . 1 1 54 54 LYS HB3 H 1 1.35 . . 1 . . . . . . . . 4165 1 556 . 1 1 54 54 LYS HD2 H 1 1.87 . . 2 . . . . . . . . 4165 1 557 . 1 1 54 54 LYS HD3 H 1 1.21 . . 2 . . . . . . . . 4165 1 558 . 1 1 54 54 LYS HE2 H 1 2.87 . . 2 . . . . . . . . 4165 1 559 . 1 1 54 54 LYS HE3 H 1 2.58 . . 2 . . . . . . . . 4165 1 560 . 1 1 54 54 LYS HG2 H 1 0.21 . . 2 . . . . . . . . 4165 1 561 . 1 1 54 54 LYS HG3 H 1 0.78 . . 2 . . . . . . . . 4165 1 562 . 1 1 54 54 LYS CA C 13 52.93 . . 1 . . . . . . . . 4165 1 563 . 1 1 54 54 LYS CB C 13 29.98 . . 1 . . . . . . . . 4165 1 564 . 1 1 54 54 LYS CD C 13 26.28 . . 1 . . . . . . . . 4165 1 565 . 1 1 54 54 LYS CE C 13 42.78 . . 1 . . . . . . . . 4165 1 566 . 1 1 54 54 LYS CG C 13 25.83 . . 1 . . . . . . . . 4165 1 567 . 1 1 55 55 ARG N N 15 120.36 . . 1 . . . . . . . . 4165 1 568 . 1 1 55 55 ARG NE N 15 110.90 . . 1 . . . . . . . . 4165 1 569 . 1 1 55 55 ARG H H 1 8.86 . . 1 . . . . . . . . 4165 1 570 . 1 1 55 55 ARG HA H 1 4.36 . . 1 . . . . . . . . 4165 1 571 . 1 1 55 55 ARG HB2 H 1 1.94 . . 2 . . . . . . . . 4165 1 572 . 1 1 55 55 ARG HD2 H 1 3.40 . . 2 . . . . . . . . 4165 1 573 . 1 1 55 55 ARG HD3 H 1 3.23 . . 2 . . . . . . . . 4165 1 574 . 1 1 55 55 ARG HE H 1 7.90 . . 1 . . . . . . . . 4165 1 575 . 1 1 55 55 ARG HG2 H 1 1.84 . . 2 . . . . . . . . 4165 1 576 . 1 1 55 55 ARG HG3 H 1 1.76 . . 2 . . . . . . . . 4165 1 577 . 1 1 55 55 ARG CA C 13 56.50 . . 1 . . . . . . . . 4165 1 578 . 1 1 55 55 ARG CB C 13 30.63 . . 1 . . . . . . . . 4165 1 579 . 1 1 55 55 ARG CD C 13 44.37 . . 1 . . . . . . . . 4165 1 580 . 1 1 55 55 ARG CG C 13 28.33 . . 1 . . . . . . . . 4165 1 581 . 1 1 56 56 ASP N N 15 123.22 . . 1 . . . . . . . . 4165 1 582 . 1 1 56 56 ASP H H 1 8.65 . . 1 . . . . . . . . 4165 1 583 . 1 1 56 56 ASP HA H 1 4.57 . . 1 . . . . . . . . 4165 1 584 . 1 1 56 56 ASP HB2 H 1 2.62 . . 2 . . . . . . . . 4165 1 585 . 1 1 56 56 ASP CA C 13 55.53 . . 1 . . . . . . . . 4165 1 586 . 1 1 56 56 ASP CB C 13 41.53 . . 1 . . . . . . . . 4165 1 587 . 1 1 57 57 ALA N N 15 124.60 . . 1 . . . . . . . . 4165 1 588 . 1 1 57 57 ALA H H 1 7.75 . . 1 . . . . . . . . 4165 1 589 . 1 1 57 57 ALA HA H 1 4.70 . . 1 . . . . . . . . 4165 1 590 . 1 1 57 57 ALA HB1 H 1 1.57 . . 1 . . . . . . . . 4165 1 591 . 1 1 57 57 ALA HB2 H 1 1.57 . . 1 . . . . . . . . 4165 1 592 . 1 1 57 57 ALA HB3 H 1 1.57 . . 1 . . . . . . . . 4165 1 593 . 1 1 57 57 ALA CA C 13 51.47 . . 1 . . . . . . . . 4165 1 594 . 1 1 57 57 ALA CB C 13 23.68 . . 1 . . . . . . . . 4165 1 595 . 1 1 58 58 ILE N N 15 117.02 . . 1 . . . . . . . . 4165 1 596 . 1 1 58 58 ILE H H 1 8.14 . . 1 . . . . . . . . 4165 1 597 . 1 1 58 58 ILE HA H 1 4.39 . . 1 . . . . . . . . 4165 1 598 . 1 1 58 58 ILE HB H 1 1.80 . . 1 . . . . . . . . 4165 1 599 . 1 1 58 58 ILE HD11 H 1 0.83 . . 1 . . . . . . . . 4165 1 600 . 1 1 58 58 ILE HD12 H 1 0.83 . . 1 . . . . . . . . 4165 1 601 . 1 1 58 58 ILE HD13 H 1 0.83 . . 1 . . . . . . . . 4165 1 602 . 1 1 58 58 ILE HG12 H 1 1.23 . . 2 . . . . . . . . 4165 1 603 . 1 1 58 58 ILE HG13 H 1 1.47 . . 2 . . . . . . . . 4165 1 604 . 1 1 58 58 ILE HG21 H 1 1.05 . . 1 . . . . . . . . 4165 1 605 . 1 1 58 58 ILE HG22 H 1 1.05 . . 1 . . . . . . . . 4165 1 606 . 1 1 58 58 ILE HG23 H 1 1.05 . . 1 . . . . . . . . 4165 1 607 . 1 1 58 58 ILE CA C 13 61.60 . . 1 . . . . . . . . 4165 1 608 . 1 1 58 58 ILE CB C 13 38.67 . . 1 . . . . . . . . 4165 1 609 . 1 1 58 58 ILE CD1 C 13 13.33 . . 1 . . . . . . . . 4165 1 610 . 1 1 58 58 ILE CG1 C 13 26.74 . . 1 . . . . . . . . 4165 1 611 . 1 1 58 58 ILE CG2 C 13 17.99 . . 1 . . . . . . . . 4165 1 612 . 1 1 59 59 SER N N 15 118.34 . . 1 . . . . . . . . 4165 1 613 . 1 1 59 59 SER H H 1 8.20 . . 1 . . . . . . . . 4165 1 614 . 1 1 59 59 SER HA H 1 4.36 . . 1 . . . . . . . . 4165 1 615 . 1 1 59 59 SER HB2 H 1 3.33 . . 2 . . . . . . . . 4165 1 616 . 1 1 59 59 SER HB3 H 1 3.42 . . 2 . . . . . . . . 4165 1 617 . 1 1 59 59 SER CA C 13 58.76 . . 1 . . . . . . . . 4165 1 618 . 1 1 59 59 SER CB C 13 66.04 . . 1 . . . . . . . . 4165 1 619 . 1 1 60 60 LEU N N 15 122.01 . . 1 . . . . . . . . 4165 1 620 . 1 1 60 60 LEU H H 1 9.24 . . 1 . . . . . . . . 4165 1 621 . 1 1 60 60 LEU HA H 1 3.73 . . 1 . . . . . . . . 4165 1 622 . 1 1 60 60 LEU HB2 H 1 1.95 . . 2 . . . . . . . . 4165 1 623 . 1 1 60 60 LEU HB3 H 1 1.69 . . 2 . . . . . . . . 4165 1 624 . 1 1 60 60 LEU HD11 H 1 0.88 . . 2 . . . . . . . . 4165 1 625 . 1 1 60 60 LEU HD12 H 1 0.88 . . 2 . . . . . . . . 4165 1 626 . 1 1 60 60 LEU HD13 H 1 0.88 . . 2 . . . . . . . . 4165 1 627 . 1 1 60 60 LEU HD21 H 1 0.97 . . 2 . . . . . . . . 4165 1 628 . 1 1 60 60 LEU HD22 H 1 0.97 . . 2 . . . . . . . . 4165 1 629 . 1 1 60 60 LEU HD23 H 1 0.97 . . 2 . . . . . . . . 4165 1 630 . 1 1 60 60 LEU HG H 1 1.54 . . 1 . . . . . . . . 4165 1 631 . 1 1 60 60 LEU CA C 13 58.81 . . 1 . . . . . . . . 4165 1 632 . 1 1 60 60 LEU CB C 13 44.09 . . 1 . . . . . . . . 4165 1 633 . 1 1 60 60 LEU CD1 C 13 23.83 . . 2 . . . . . . . . 4165 1 634 . 1 1 60 60 LEU CD2 C 13 25.77 . . 2 . . . . . . . . 4165 1 635 . 1 1 60 60 LEU CG C 13 26.42 . . 1 . . . . . . . . 4165 1 636 . 1 1 61 61 ARG N N 15 112.83 . . 1 . . . . . . . . 4165 1 637 . 1 1 61 61 ARG NE N 15 111.71 . . 1 . . . . . . . . 4165 1 638 . 1 1 61 61 ARG H H 1 8.18 . . 1 . . . . . . . . 4165 1 639 . 1 1 61 61 ARG HA H 1 3.90 . . 1 . . . . . . . . 4165 1 640 . 1 1 61 61 ARG HB2 H 1 1.75 . . 2 . . . . . . . . 4165 1 641 . 1 1 61 61 ARG HB3 H 1 1.84 . . 2 . . . . . . . . 4165 1 642 . 1 1 61 61 ARG HD2 H 1 2.94 . . 2 . . . . . . . . 4165 1 643 . 1 1 61 61 ARG HE H 1 10.08 . . 1 . . . . . . . . 4165 1 644 . 1 1 61 61 ARG HG2 H 1 1.47 . . 2 . . . . . . . . 4165 1 645 . 1 1 61 61 ARG HG3 H 1 1.82 . . 2 . . . . . . . . 4165 1 646 . 1 1 61 61 ARG CA C 13 60.95 . . 1 . . . . . . . . 4165 1 647 . 1 1 61 61 ARG CB C 13 28.60 . . 1 . . . . . . . . 4165 1 648 . 1 1 61 61 ARG CD C 13 43.20 . . 1 . . . . . . . . 4165 1 649 . 1 1 61 61 ARG CG C 13 30.53 . . 1 . . . . . . . . 4165 1 650 . 1 1 62 62 GLU N N 15 121.16 . . 1 . . . . . . . . 4165 1 651 . 1 1 62 62 GLU H H 1 7.54 . . 1 . . . . . . . . 4165 1 652 . 1 1 62 62 GLU HA H 1 4.04 . . 1 . . . . . . . . 4165 1 653 . 1 1 62 62 GLU HB2 H 1 2.05 . . 2 . . . . . . . . 4165 1 654 . 1 1 62 62 GLU HB3 H 1 2.21 . . 2 . . . . . . . . 4165 1 655 . 1 1 62 62 GLU HG2 H 1 2.11 . . 2 . . . . . . . . 4165 1 656 . 1 1 62 62 GLU HG3 H 1 2.19 . . 2 . . . . . . . . 4165 1 657 . 1 1 62 62 GLU CA C 13 59.61 . . 1 . . . . . . . . 4165 1 658 . 1 1 62 62 GLU CB C 13 30.78 . . 1 . . . . . . . . 4165 1 659 . 1 1 62 62 GLU CG C 13 38.47 . . 1 . . . . . . . . 4165 1 660 . 1 1 63 63 LYS N N 15 121.62 . . 1 . . . . . . . . 4165 1 661 . 1 1 63 63 LYS H H 1 8.31 . . 1 . . . . . . . . 4165 1 662 . 1 1 63 63 LYS HA H 1 3.97 . . 1 . . . . . . . . 4165 1 663 . 1 1 63 63 LYS HB2 H 1 1.73 . . 2 . . . . . . . . 4165 1 664 . 1 1 63 63 LYS HB3 H 1 2.08 . . 2 . . . . . . . . 4165 1 665 . 1 1 63 63 LYS HD2 H 1 1.68 . . 2 . . . . . . . . 4165 1 666 . 1 1 63 63 LYS HD3 H 1 1.49 . . 2 . . . . . . . . 4165 1 667 . 1 1 63 63 LYS HE2 H 1 3.04 . . 2 . . . . . . . . 4165 1 668 . 1 1 63 63 LYS HE3 H 1 3.16 . . 2 . . . . . . . . 4165 1 669 . 1 1 63 63 LYS HG2 H 1 1.70 . . 2 . . . . . . . . 4165 1 670 . 1 1 63 63 LYS HG3 H 1 1.44 . . 2 . . . . . . . . 4165 1 671 . 1 1 63 63 LYS CA C 13 60.55 . . 1 . . . . . . . . 4165 1 672 . 1 1 63 63 LYS CB C 13 32.93 . . 1 . . . . . . . . 4165 1 673 . 1 1 63 63 LYS CD C 13 31.27 . . 1 . . . . . . . . 4165 1 674 . 1 1 63 63 LYS CE C 13 42.27 . . 1 . . . . . . . . 4165 1 675 . 1 1 63 63 LYS CG C 13 26.58 . . 1 . . . . . . . . 4165 1 676 . 1 1 64 64 ILE N N 15 119.65 . . 1 . . . . . . . . 4165 1 677 . 1 1 64 64 ILE H H 1 8.51 . . 1 . . . . . . . . 4165 1 678 . 1 1 64 64 ILE HA H 1 3.16 . . 1 . . . . . . . . 4165 1 679 . 1 1 64 64 ILE HB H 1 1.35 . . 1 . . . . . . . . 4165 1 680 . 1 1 64 64 ILE HD11 H 1 0.38 . . 1 . . . . . . . . 4165 1 681 . 1 1 64 64 ILE HD12 H 1 0.38 . . 1 . . . . . . . . 4165 1 682 . 1 1 64 64 ILE HD13 H 1 0.38 . . 1 . . . . . . . . 4165 1 683 . 1 1 64 64 ILE HG12 H 1 -0.53 . . 2 . . . . . . . . 4165 1 684 . 1 1 64 64 ILE HG13 H 1 1.15 . . 2 . . . . . . . . 4165 1 685 . 1 1 64 64 ILE HG21 H 1 0.38 . . 1 . . . . . . . . 4165 1 686 . 1 1 64 64 ILE HG22 H 1 0.38 . . 1 . . . . . . . . 4165 1 687 . 1 1 64 64 ILE HG23 H 1 0.38 . . 1 . . . . . . . . 4165 1 688 . 1 1 64 64 ILE CA C 13 65.05 . . 1 . . . . . . . . 4165 1 689 . 1 1 64 64 ILE CB C 13 38.38 . . 1 . . . . . . . . 4165 1 690 . 1 1 64 64 ILE CD1 C 13 16.33 . . 1 . . . . . . . . 4165 1 691 . 1 1 64 64 ILE CG1 C 13 28.23 . . 1 . . . . . . . . 4165 1 692 . 1 1 64 64 ILE CG2 C 13 17.08 . . 1 . . . . . . . . 4165 1 693 . 1 1 65 65 ALA N N 15 121.14 . . 1 . . . . . . . . 4165 1 694 . 1 1 65 65 ALA H H 1 7.27 . . 1 . . . . . . . . 4165 1 695 . 1 1 65 65 ALA HA H 1 4.03 . . 1 . . . . . . . . 4165 1 696 . 1 1 65 65 ALA HB1 H 1 1.43 . . 1 . . . . . . . . 4165 1 697 . 1 1 65 65 ALA HB2 H 1 1.43 . . 1 . . . . . . . . 4165 1 698 . 1 1 65 65 ALA HB3 H 1 1.43 . . 1 . . . . . . . . 4165 1 699 . 1 1 65 65 ALA CA C 13 54.87 . . 1 . . . . . . . . 4165 1 700 . 1 1 65 65 ALA CB C 13 17.72 . . 1 . . . . . . . . 4165 1 701 . 1 1 66 66 GLU N N 15 116.76 . . 1 . . . . . . . . 4165 1 702 . 1 1 66 66 GLU H H 1 7.48 . . 1 . . . . . . . . 4165 1 703 . 1 1 66 66 GLU HA H 1 4.08 . . 1 . . . . . . . . 4165 1 704 . 1 1 66 66 GLU HB2 H 1 2.09 . . 2 . . . . . . . . 4165 1 705 . 1 1 66 66 GLU HB3 H 1 2.11 . . 2 . . . . . . . . 4165 1 706 . 1 1 66 66 GLU HG2 H 1 2.27 . . 2 . . . . . . . . 4165 1 707 . 1 1 66 66 GLU HG3 H 1 2.38 . . 2 . . . . . . . . 4165 1 708 . 1 1 66 66 GLU CA C 13 58.27 . . 1 . . . . . . . . 4165 1 709 . 1 1 66 66 GLU CB C 13 29.70 . . 1 . . . . . . . . 4165 1 710 . 1 1 66 66 GLU CG C 13 36.08 . . 1 . . . . . . . . 4165 1 711 . 1 1 67 67 LEU N N 15 119.80 . . 1 . . . . . . . . 4165 1 712 . 1 1 67 67 LEU H H 1 7.67 . . 1 . . . . . . . . 4165 1 713 . 1 1 67 67 LEU HA H 1 4.15 . . 1 . . . . . . . . 4165 1 714 . 1 1 67 67 LEU HB2 H 1 1.37 . . 1 . . . . . . . . 4165 1 715 . 1 1 67 67 LEU HB3 H 1 1.76 . . 1 . . . . . . . . 4165 1 716 . 1 1 67 67 LEU HD11 H 1 0.70 . . 2 . . . . . . . . 4165 1 717 . 1 1 67 67 LEU HD12 H 1 0.70 . . 2 . . . . . . . . 4165 1 718 . 1 1 67 67 LEU HD13 H 1 0.70 . . 2 . . . . . . . . 4165 1 719 . 1 1 67 67 LEU HD21 H 1 0.83 . . 2 . . . . . . . . 4165 1 720 . 1 1 67 67 LEU HD22 H 1 0.83 . . 2 . . . . . . . . 4165 1 721 . 1 1 67 67 LEU HD23 H 1 0.83 . . 2 . . . . . . . . 4165 1 722 . 1 1 67 67 LEU HG H 1 1.79 . . 1 . . . . . . . . 4165 1 723 . 1 1 67 67 LEU CA C 13 56.50 . . 1 . . . . . . . . 4165 1 724 . 1 1 67 67 LEU CB C 13 42.47 . . 1 . . . . . . . . 4165 1 725 . 1 1 67 67 LEU CD1 C 13 25.77 . . 2 . . . . . . . . 4165 1 726 . 1 1 67 67 LEU CD2 C 13 23.35 . . 2 . . . . . . . . 4165 1 727 . 1 1 67 67 LEU CG C 13 26.58 . . 1 . . . . . . . . 4165 1 728 . 1 1 68 68 GLN N N 15 116.78 . . 1 . . . . . . . . 4165 1 729 . 1 1 68 68 GLN NE2 N 15 111.53 . . 1 . . . . . . . . 4165 1 730 . 1 1 68 68 GLN H H 1 7.80 . . 1 . . . . . . . . 4165 1 731 . 1 1 68 68 GLN HA H 1 4.16 . . 1 . . . . . . . . 4165 1 732 . 1 1 68 68 GLN HB2 H 1 2.11 . . 2 . . . . . . . . 4165 1 733 . 1 1 68 68 GLN HB3 H 1 1.95 . . 2 . . . . . . . . 4165 1 734 . 1 1 68 68 GLN HE21 H 1 6.73 . . 2 . . . . . . . . 4165 1 735 . 1 1 68 68 GLN HE22 H 1 7.17 . . 2 . . . . . . . . 4165 1 736 . 1 1 68 68 GLN HG2 H 1 2.29 . . 2 . . . . . . . . 4165 1 737 . 1 1 68 68 GLN HG3 H 1 2.39 . . 2 . . . . . . . . 4165 1 738 . 1 1 68 68 GLN CA C 13 56.30 . . 1 . . . . . . . . 4165 1 739 . 1 1 68 68 GLN CB C 13 28.35 . . 1 . . . . . . . . 4165 1 740 . 1 1 68 68 GLN CG C 13 33.84 . . 1 . . . . . . . . 4165 1 741 . 1 1 69 69 LYS N N 15 120.16 . . 1 . . . . . . . . 4165 1 742 . 1 1 69 69 LYS H H 1 7.57 . . 1 . . . . . . . . 4165 1 743 . 1 1 69 69 LYS HA H 1 4.17 . . 1 . . . . . . . . 4165 1 744 . 1 1 69 69 LYS HB2 H 1 1.84 . . 2 . . . . . . . . 4165 1 745 . 1 1 69 69 LYS HD2 H 1 1.67 . . 2 . . . . . . . . 4165 1 746 . 1 1 69 69 LYS HG2 H 1 1.42 . . 2 . . . . . . . . 4165 1 747 . 1 1 69 69 LYS HG3 H 1 1.46 . . 2 . . . . . . . . 4165 1 748 . 1 1 69 69 LYS CA C 13 57.33 . . 1 . . . . . . . . 4165 1 749 . 1 1 69 69 LYS CB C 13 32.78 . . 1 . . . . . . . . 4165 1 750 . 1 1 69 69 LYS CD C 13 29.11 . . 1 . . . . . . . . 4165 1 751 . 1 1 69 69 LYS CE C 13 42.40 . . 1 . . . . . . . . 4165 1 752 . 1 1 69 69 LYS CG C 13 24.63 . . 1 . . . . . . . . 4165 1 753 . 1 1 70 70 ASP N N 15 120.34 . . 1 . . . . . . . . 4165 1 754 . 1 1 70 70 ASP H H 1 8.20 . . 1 . . . . . . . . 4165 1 755 . 1 1 70 70 ASP HA H 1 4.65 . . 1 . . . . . . . . 4165 1 756 . 1 1 70 70 ASP HB2 H 1 2.76 . . 2 . . . . . . . . 4165 1 757 . 1 1 70 70 ASP HB3 H 1 2.58 . . 2 . . . . . . . . 4165 1 758 . 1 1 70 70 ASP CB C 13 41.40 . . 1 . . . . . . . . 4165 1 759 . 1 1 71 71 ILE N N 15 120.35 . . 1 . . . . . . . . 4165 1 760 . 1 1 71 71 ILE H H 1 7.81 . . 1 . . . . . . . . 4165 1 761 . 1 1 71 71 ILE HA H 1 4.12 . . 1 . . . . . . . . 4165 1 762 . 1 1 71 71 ILE HB H 1 1.81 . . 1 . . . . . . . . 4165 1 763 . 1 1 71 71 ILE HD11 H 1 0.78 . . 1 . . . . . . . . 4165 1 764 . 1 1 71 71 ILE HD12 H 1 0.78 . . 1 . . . . . . . . 4165 1 765 . 1 1 71 71 ILE HD13 H 1 0.78 . . 1 . . . . . . . . 4165 1 766 . 1 1 71 71 ILE HG12 H 1 1.10 . . 2 . . . . . . . . 4165 1 767 . 1 1 71 71 ILE HG13 H 1 1.34 . . 2 . . . . . . . . 4165 1 768 . 1 1 71 71 ILE HG21 H 1 0.82 . . 1 . . . . . . . . 4165 1 769 . 1 1 71 71 ILE HG22 H 1 0.82 . . 1 . . . . . . . . 4165 1 770 . 1 1 71 71 ILE HG23 H 1 0.82 . . 1 . . . . . . . . 4165 1 771 . 1 1 71 71 ILE CA C 13 61.30 . . 1 . . . . . . . . 4165 1 772 . 1 1 71 71 ILE CB C 13 38.64 . . 1 . . . . . . . . 4165 1 773 . 1 1 71 71 ILE CD1 C 13 13.00 . . 1 . . . . . . . . 4165 1 774 . 1 1 71 71 ILE CG1 C 13 27.07 . . 1 . . . . . . . . 4165 1 775 . 1 1 71 71 ILE CG2 C 13 17.43 . . 1 . . . . . . . . 4165 1 776 . 1 1 72 72 HIS N N 15 122.82 . . 1 . . . . . . . . 4165 1 777 . 1 1 72 72 HIS H H 1 8.45 . . 1 . . . . . . . . 4165 1 778 . 1 1 72 72 HIS HD2 H 1 7.23 . . 1 . . . . . . . . 4165 1 779 . 1 1 72 72 HIS HE1 H 1 8.52 . . 1 . . . . . . . . 4165 1 780 . 1 1 72 72 HIS CD2 C 13 120.13 . . 1 . . . . . . . . 4165 1 781 . 1 1 72 72 HIS CE1 C 13 136.33 . . 1 . . . . . . . . 4165 1 782 . 1 1 73 73 ASP N N 15 121.47 . . 1 . . . . . . . . 4165 1 783 . 1 1 73 73 ASP H H 1 8.32 . . 1 . . . . . . . . 4165 1 784 . 1 1 74 74 GLY N N 15 115.84 . . 1 . . . . . . . . 4165 1 785 . 1 1 74 74 GLY H H 1 7.90 . . 1 . . . . . . . . 4165 1 786 . 1 1 74 74 GLY HA2 H 1 3.73 . . 2 . . . . . . . . 4165 1 stop_ save_ save_assigned_chemical_shifts_two _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_two _Assigned_chem_shift_list.Entry_ID 4165 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _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_one . 4165 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 DG H8 H 1 7.79 . . 1 . . . . . . . . 4165 2 2 . 2 2 1 1 DG H1' H 1 5.50 . . 1 . . . . . . . . 4165 2 3 . 2 2 1 1 DG H2' H 1 2.39 . . 1 . . . . . . . . 4165 2 4 . 2 2 1 1 DG H2'' H 1 2.63 . . 1 . . . . . . . . 4165 2 5 . 2 2 1 1 DG H3' H 1 4.73 . . 1 . . . . . . . . 4165 2 6 . 2 2 1 1 DG H4' H 1 4.13 . . 1 . . . . . . . . 4165 2 7 . 2 2 2 2 DA H2 H 1 7.81 . . 1 . . . . . . . . 4165 2 8 . 2 2 2 2 DA H8 H 1 8.10 . . 1 . . . . . . . . 4165 2 9 . 2 2 2 2 DA H1' H 1 6.17 . . 1 . . . . . . . . 4165 2 10 . 2 2 2 2 DA H2' H 1 2.53 . . 1 . . . . . . . . 4165 2 11 . 2 2 2 2 DA H2'' H 1 2.93 . . 1 . . . . . . . . 4165 2 12 . 2 2 2 2 DA H3' H 1 5.00 . . 1 . . . . . . . . 4165 2 13 . 2 2 2 2 DA H4' H 1 4.38 . . 1 . . . . . . . . 4165 2 14 . 2 2 3 3 DG H1 H 1 13.00 . . 1 . . . . . . . . 4165 2 15 . 2 2 3 3 DG H8 H 1 7.72 . . 1 . . . . . . . . 4165 2 16 . 2 2 3 3 DG H1' H 1 5.76 . . 1 . . . . . . . . 4165 2 17 . 2 2 3 3 DG H2' H 1 2.29 . . 1 . . . . . . . . 4165 2 18 . 2 2 3 3 DG H2'' H 1 2.62 . . 1 . . . . . . . . 4165 2 19 . 2 2 3 3 DG H3' H 1 4.86 . . 1 . . . . . . . . 4165 2 20 . 2 2 3 3 DG H4' H 1 4.32 . . 1 . . . . . . . . 4165 2 21 . 2 2 4 4 DT H3 H 1 13.54 . . 1 . . . . . . . . 4165 2 22 . 2 2 4 4 DT H6 H 1 6.75 . . 1 . . . . . . . . 4165 2 23 . 2 2 4 4 DT H71 H 1 1.32 . . 1 . . . . . . . . 4165 2 24 . 2 2 4 4 DT H72 H 1 1.32 . . 1 . . . . . . . . 4165 2 25 . 2 2 4 4 DT H73 H 1 1.32 . . 1 . . . . . . . . 4165 2 26 . 2 2 4 4 DT H1' H 1 5.58 . . 1 . . . . . . . . 4165 2 27 . 2 2 4 4 DT H2' H 1 2.00 . . 1 . . . . . . . . 4165 2 28 . 2 2 4 4 DT H2'' H 1 2.50 . . 1 . . . . . . . . 4165 2 29 . 2 2 4 4 DT H3' H 1 4.79 . . 1 . . . . . . . . 4165 2 30 . 2 2 4 4 DT H4' H 1 4.10 . . 1 . . . . . . . . 4165 2 31 . 2 2 5 5 DA H2 H 1 7.01 . . 1 . . . . . . . . 4165 2 32 . 2 2 5 5 DA H8 H 1 8.02 . . 1 . . . . . . . . 4165 2 33 . 2 2 5 5 DA H1' H 1 6.10 . . 1 . . . . . . . . 4165 2 34 . 2 2 5 5 DA H2' H 1 2.38 . . 1 . . . . . . . . 4165 2 35 . 2 2 5 5 DA H2'' H 1 2.85 . . 1 . . . . . . . . 4165 2 36 . 2 2 5 5 DA H3' H 1 4.90 . . 1 . . . . . . . . 4165 2 37 . 2 2 5 5 DA H4' H 1 4.37 . . 1 . . . . . . . . 4165 2 38 . 2 2 6 6 DG H1 H 1 12.55 . . 1 . . . . . . . . 4165 2 39 . 2 2 6 6 DG H8 H 1 7.42 . . 1 . . . . . . . . 4165 2 40 . 2 2 6 6 DG H1' H 1 5.73 . . 1 . . . . . . . . 4165 2 41 . 2 2 6 6 DG H2' H 1 2.13 . . 1 . . . . . . . . 4165 2 42 . 2 2 6 6 DG H2'' H 1 2.59 . . 1 . . . . . . . . 4165 2 43 . 2 2 6 6 DG H3' H 1 4.80 . . 1 . . . . . . . . 4165 2 44 . 2 2 6 6 DG H4' H 1 4.25 . . 1 . . . . . . . . 4165 2 45 . 2 2 7 7 DT H3 H 1 13.12 . . 1 . . . . . . . . 4165 2 46 . 2 2 7 7 DT H6 H 1 6.99 . . 1 . . . . . . . . 4165 2 47 . 2 2 7 7 DT H71 H 1 1.06 . . 1 . . . . . . . . 4165 2 48 . 2 2 7 7 DT H72 H 1 1.06 . . 1 . . . . . . . . 4165 2 49 . 2 2 7 7 DT H73 H 1 1.06 . . 1 . . . . . . . . 4165 2 50 . 2 2 7 7 DT H1' H 1 5.32 . . 1 . . . . . . . . 4165 2 51 . 2 2 7 7 DT H2' H 1 1.80 . . 1 . . . . . . . . 4165 2 52 . 2 2 7 7 DT H2'' H 1 2.11 . . 1 . . . . . . . . 4165 2 53 . 2 2 7 7 DT H3' H 1 4.75 . . 1 . . . . . . . . 4165 2 54 . 2 2 7 7 DT H4' H 1 4.02 . . 1 . . . . . . . . 4165 2 55 . 2 2 8 8 DA H2 H 1 6.68 . . 1 . . . . . . . . 4165 2 56 . 2 2 8 8 DA H8 H 1 8.20 . . 1 . . . . . . . . 4165 2 57 . 2 2 8 8 DA H1' H 1 5.35 . . 1 . . . . . . . . 4165 2 58 . 2 2 8 8 DA H2' H 1 2.65 . . 1 . . . . . . . . 4165 2 59 . 2 2 8 8 DA H2'' H 1 2.72 . . 1 . . . . . . . . 4165 2 60 . 2 2 8 8 DA H3' H 1 4.96 . . 1 . . . . . . . . 4165 2 61 . 2 2 8 8 DA H4' H 1 4.27 . . 1 . . . . . . . . 4165 2 62 . 2 2 9 9 DA H2 H 1 7.00 . . 1 . . . . . . . . 4165 2 63 . 2 2 9 9 DA H8 H 1 8.15 . . 1 . . . . . . . . 4165 2 64 . 2 2 9 9 DA H1' H 1 5.98 . . 1 . . . . . . . . 4165 2 65 . 2 2 9 9 DA H3' H 1 5.09 . . 1 . . . . . . . . 4165 2 66 . 2 2 9 9 DA H4' H 1 4.47 . . 1 . . . . . . . . 4165 2 67 . 2 2 10 10 DA H2 H 1 7.46 . . 1 . . . . . . . . 4165 2 68 . 2 2 10 10 DA H8 H 1 8.17 . . 1 . . . . . . . . 4165 2 69 . 2 2 10 10 DA H1' H 1 6.09 . . 1 . . . . . . . . 4165 2 70 . 2 2 10 10 DA H2' H 1 2.55 . . 1 . . . . . . . . 4165 2 71 . 2 2 10 10 DA H2'' H 1 2.92 . . 1 . . . . . . . . 4165 2 72 . 2 2 10 10 DA H3' H 1 5.01 . . 1 . . . . . . . . 4165 2 73 . 2 2 10 10 DA H4' H 1 4.48 . . 1 . . . . . . . . 4165 2 74 . 2 2 11 11 DT H3 H 1 13.58 . . 1 . . . . . . . . 4165 2 75 . 2 2 11 11 DT H6 H 1 7.05 . . 1 . . . . . . . . 4165 2 76 . 2 2 11 11 DT H71 H 1 1.27 . . 1 . . . . . . . . 4165 2 77 . 2 2 11 11 DT H72 H 1 1.27 . . 1 . . . . . . . . 4165 2 78 . 2 2 11 11 DT H73 H 1 1.27 . . 1 . . . . . . . . 4165 2 79 . 2 2 11 11 DT H1' H 1 5.79 . . 1 . . . . . . . . 4165 2 80 . 2 2 11 11 DT H2' H 1 1.95 . . 1 . . . . . . . . 4165 2 81 . 2 2 11 11 DT H2'' H 1 2.50 . . 1 . . . . . . . . 4165 2 82 . 2 2 11 11 DT H3' H 1 4.80 . . 1 . . . . . . . . 4165 2 83 . 2 2 11 11 DT H4' H 1 4.20 . . 1 . . . . . . . . 4165 2 84 . 2 2 12 12 DT H3 H 1 13.79 . . 1 . . . . . . . . 4165 2 85 . 2 2 12 12 DT H6 H 1 7.38 . . 1 . . . . . . . . 4165 2 86 . 2 2 12 12 DT H71 H 1 1.55 . . 1 . . . . . . . . 4165 2 87 . 2 2 12 12 DT H72 H 1 1.55 . . 1 . . . . . . . . 4165 2 88 . 2 2 12 12 DT H73 H 1 1.55 . . 1 . . . . . . . . 4165 2 89 . 2 2 12 12 DT H1' H 1 6.12 . . 1 . . . . . . . . 4165 2 90 . 2 2 12 12 DT H3' H 1 4.88 . . 1 . . . . . . . . 4165 2 91 . 2 2 12 12 DT H4' H 1 4.12 . . 1 . . . . . . . . 4165 2 92 . 2 2 13 13 DC H5 H 1 5.76 . . 1 . . . . . . . . 4165 2 93 . 2 2 13 13 DC H6 H 1 7.59 . . 1 . . . . . . . . 4165 2 94 . 2 2 13 13 DC H1' H 1 6.24 . . 1 . . . . . . . . 4165 2 95 . 2 2 13 13 DC H3' H 1 4.56 . . 1 . . . . . . . . 4165 2 96 . 2 2 13 13 DC H4' H 1 3.99 . . 1 . . . . . . . . 4165 2 stop_ save_ save_assigned_chemical_shifts_three _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_three _Assigned_chem_shift_list.Entry_ID 4165 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _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_one . 4165 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 7.80 . . 1 . . . . . . . . 4165 3 2 . 3 3 1 1 DG H1' H 1 5.50 . . 1 . . . . . . . . 4165 3 3 . 3 3 1 1 DG H2' H 1 2.40 . . 1 . . . . . . . . 4165 3 4 . 3 3 1 1 DG H2'' H 1 2.64 . . 1 . . . . . . . . 4165 3 5 . 3 3 1 1 DG H3' H 1 4.77 . . 1 . . . . . . . . 4165 3 6 . 3 3 1 1 DG H4' H 1 4.12 . . 1 . . . . . . . . 4165 3 7 . 3 3 2 2 DA H2 H 1 7.42 . . 1 . . . . . . . . 4165 3 8 . 3 3 2 2 DA H8 H 1 8.13 . . 1 . . . . . . . . 4165 3 9 . 3 3 2 2 DA H1' H 1 5.89 . . 1 . . . . . . . . 4165 3 10 . 3 3 2 2 DA H3' H 1 5.04 . . 1 . . . . . . . . 4165 3 11 . 3 3 2 2 DA H4' H 1 4.39 . . 1 . . . . . . . . 4165 3 12 . 3 3 3 3 DA H2 H 1 7.61 . . 1 . . . . . . . . 4165 3 13 . 3 3 3 3 DA H8 H 1 8.12 . . 1 . . . . . . . . 4165 3 14 . 3 3 3 3 DA H1' H 1 6.20 . . 1 . . . . . . . . 4165 3 15 . 3 3 3 3 DA H2' H 1 2.59 . . 1 . . . . . . . . 4165 3 16 . 3 3 3 3 DA H2'' H 1 2.96 . . 1 . . . . . . . . 4165 3 17 . 3 3 3 3 DA H3' H 1 5.02 . . 1 . . . . . . . . 4165 3 18 . 3 3 3 3 DA H4' H 1 4.48 . . 1 . . . . . . . . 4165 3 19 . 3 3 4 4 DT H3 H 1 13.96 . . 1 . . . . . . . . 4165 3 20 . 3 3 4 4 DT H6 H 1 7.18 . . 1 . . . . . . . . 4165 3 21 . 3 3 4 4 DT H71 H 1 1.16 . . 1 . . . . . . . . 4165 3 22 . 3 3 4 4 DT H72 H 1 1.16 . . 1 . . . . . . . . 4165 3 23 . 3 3 4 4 DT H73 H 1 1.16 . . 1 . . . . . . . . 4165 3 24 . 3 3 4 4 DT H1' H 1 5.91 . . 1 . . . . . . . . 4165 3 25 . 3 3 4 4 DT H2' H 1 2.16 . . 1 . . . . . . . . 4165 3 26 . 3 3 4 4 DT H2'' H 1 2.52 . . 1 . . . . . . . . 4165 3 27 . 3 3 4 4 DT H3' H 1 4.93 . . 1 . . . . . . . . 4165 3 28 . 3 3 4 4 DT H4' H 1 4.28 . . 1 . . . . . . . . 4165 3 29 . 3 3 5 5 DT H3 H 1 13.94 . . 1 . . . . . . . . 4165 3 30 . 3 3 5 5 DT H6 H 1 6.71 . . 1 . . . . . . . . 4165 3 31 . 3 3 5 5 DT H71 H 1 1.38 . . 1 . . . . . . . . 4165 3 32 . 3 3 5 5 DT H72 H 1 1.38 . . 1 . . . . . . . . 4165 3 33 . 3 3 5 5 DT H73 H 1 1.38 . . 1 . . . . . . . . 4165 3 34 . 3 3 5 5 DT H1' H 1 6.15 . . 1 . . . . . . . . 4165 3 35 . 3 3 5 5 DT H3' H 1 4.89 . . 1 . . . . . . . . 4165 3 36 . 3 3 5 5 DT H4' H 1 4.22 . . 1 . . . . . . . . 4165 3 37 . 3 3 6 6 DT H3 H 1 13.55 . . 1 . . . . . . . . 4165 3 38 . 3 3 6 6 DT H6 H 1 6.57 . . 1 . . . . . . . . 4165 3 39 . 3 3 6 6 DT H71 H 1 0.42 . . 1 . . . . . . . . 4165 3 40 . 3 3 6 6 DT H72 H 1 0.42 . . 1 . . . . . . . . 4165 3 41 . 3 3 6 6 DT H73 H 1 0.42 . . 1 . . . . . . . . 4165 3 42 . 3 3 6 6 DT H1' H 1 5.90 . . 1 . . . . . . . . 4165 3 43 . 3 3 6 6 DT H2' H 1 1.92 . . 1 . . . . . . . . 4165 3 44 . 3 3 6 6 DT H2'' H 1 2.68 . . 1 . . . . . . . . 4165 3 45 . 3 3 6 6 DT H3' H 1 5.10 . . 1 . . . . . . . . 4165 3 46 . 3 3 6 6 DT H4' H 1 4.21 . . 1 . . . . . . . . 4165 3 47 . 3 3 7 7 DA H2 H 1 7.27 . . 1 . . . . . . . . 4165 3 48 . 3 3 7 7 DA H8 H 1 8.97 . . 1 . . . . . . . . 4165 3 49 . 3 3 7 7 DA H1' H 1 6.11 . . 1 . . . . . . . . 4165 3 50 . 3 3 7 7 DA H2' H 1 2.80 . . 1 . . . . . . . . 4165 3 51 . 3 3 7 7 DA H2'' H 1 2.96 . . 1 . . . . . . . . 4165 3 52 . 3 3 7 7 DA H3' H 1 5.15 . . 1 . . . . . . . . 4165 3 53 . 3 3 7 7 DA H4' H 1 4.52 . . 1 . . . . . . . . 4165 3 54 . 3 3 8 8 DC H5 H 1 3.42 . . 1 . . . . . . . . 4165 3 55 . 3 3 8 8 DC H6 H 1 6.39 . . 1 . . . . . . . . 4165 3 56 . 3 3 8 8 DC H1' H 1 5.54 . . 1 . . . . . . . . 4165 3 57 . 3 3 8 8 DC H2' H 1 1.87 . . 1 . . . . . . . . 4165 3 58 . 3 3 8 8 DC H2'' H 1 2.38 . . 1 . . . . . . . . 4165 3 59 . 3 3 8 8 DC H4' H 1 4.23 . . 1 . . . . . . . . 4165 3 60 . 3 3 9 9 DT H3 H 1 12.88 . . 1 . . . . . . . . 4165 3 61 . 3 3 9 9 DT H6 H 1 7.25 . . 1 . . . . . . . . 4165 3 62 . 3 3 9 9 DT H71 H 1 1.50 . . 1 . . . . . . . . 4165 3 63 . 3 3 9 9 DT H72 H 1 1.50 . . 1 . . . . . . . . 4165 3 64 . 3 3 9 9 DT H73 H 1 1.50 . . 1 . . . . . . . . 4165 3 65 . 3 3 9 9 DT H1' H 1 5.89 . . 1 . . . . . . . . 4165 3 66 . 3 3 9 9 DT H2' H 1 2.18 . . 1 . . . . . . . . 4165 3 67 . 3 3 9 9 DT H2'' H 1 2.68 . . 1 . . . . . . . . 4165 3 68 . 3 3 9 9 DT H3' H 1 4.81 . . 1 . . . . . . . . 4165 3 69 . 3 3 9 9 DT H4' H 1 4.11 . . 1 . . . . . . . . 4165 3 70 . 3 3 10 10 DA H2 H 1 6.89 . . 1 . . . . . . . . 4165 3 71 . 3 3 10 10 DA H8 H 1 8.11 . . 1 . . . . . . . . 4165 3 72 . 3 3 10 10 DA H1' H 1 5.60 . . 1 . . . . . . . . 4165 3 73 . 3 3 10 10 DA H3' H 1 4.92 . . 1 . . . . . . . . 4165 3 74 . 3 3 10 10 DA H4' H 1 4.28 . . 1 . . . . . . . . 4165 3 75 . 3 3 11 11 DC H5 H 1 5.06 . . 1 . . . . . . . . 4165 3 76 . 3 3 11 11 DC H6 H 1 7.38 . . 1 . . . . . . . . 4165 3 77 . 3 3 11 11 DC H1' H 1 5.81 . . 1 . . . . . . . . 4165 3 78 . 3 3 11 11 DC H2' H 1 1.97 . . 1 . . . . . . . . 4165 3 79 . 3 3 11 11 DC H2'' H 1 2.40 . . 1 . . . . . . . . 4165 3 80 . 3 3 11 11 DC H3' H 1 4.58 . . 1 . . . . . . . . 4165 3 81 . 3 3 11 11 DC H4' H 1 4.12 . . 1 . . . . . . . . 4165 3 82 . 3 3 12 12 DT H3 H 1 13.98 . . 1 . . . . . . . . 4165 3 83 . 3 3 12 12 DT H6 H 1 7.47 . . 1 . . . . . . . . 4165 3 84 . 3 3 12 12 DT H71 H 1 1.55 . . 1 . . . . . . . . 4165 3 85 . 3 3 12 12 DT H72 H 1 1.55 . . 1 . . . . . . . . 4165 3 86 . 3 3 12 12 DT H73 H 1 1.55 . . 1 . . . . . . . . 4165 3 87 . 3 3 12 12 DT H1' H 1 6.11 . . 1 . . . . . . . . 4165 3 88 . 3 3 12 12 DT H2' H 1 2.16 . . 1 . . . . . . . . 4165 3 89 . 3 3 12 12 DT H2'' H 1 2.50 . . 1 . . . . . . . . 4165 3 90 . 3 3 12 12 DT H3' H 1 4.90 . . 1 . . . . . . . . 4165 3 91 . 3 3 12 12 DT H4' H 1 4.12 . . 1 . . . . . . . . 4165 3 92 . 3 3 13 13 DC H5 H 1 5.76 . . 1 . . . . . . . . 4165 3 93 . 3 3 13 13 DC H6 H 1 7.61 . . 1 . . . . . . . . 4165 3 94 . 3 3 13 13 DC H1' H 1 6.24 . . 1 . . . . . . . . 4165 3 95 . 3 3 13 13 DC H3' H 1 4.55 . . 1 . . . . . . . . 4165 3 96 . 3 3 13 13 DC H4' H 1 3.99 . . 1 . . . . . . . . 4165 3 stop_ save_