data_4075 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4075 _Entry.Title ; Backbone NMR Assignments and Secondary Structure of the N Terminal Domain of DnaB Helicase from E. coli ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1997-11-25 _Entry.Accession_date 1997-11-28 _Entry.Last_release_date 1998-10-12 _Entry.Original_release_date 1998-10-12 _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 Johan Weigelt . . . 4075 2 Caroline Miles . S. . 4075 3 Nicholas Dixon . E. . 4075 4 Gottfried Otting . . . 4075 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4075 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 253 4075 '15N chemical shifts' 124 4075 '1H chemical shifts' 259 4075 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 1998-10-12 1997-11-25 original author . 4075 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4075 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 98344243 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Weigelt, J., Miles, C. S., Dixon, N. E., and Otting, G., "Backbone NMR Assignments and Secondary Structure of the N Terminal Domain of DnaB Helicase from E. coli," J. Biomol. NMR 11, 233-234 (1998). ; _Citation.Title ; Backbone NMR Assignments and Secondary Structure of the N Terminal Domain of DnaB Helicase from E. coli ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 11 _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 233 _Citation.Page_last 234 _Citation.Year 1998 _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 Johan Weigelt . . . 4075 1 2 Caroline Miles . S. . 4075 1 3 Nicholas Dixon . E. . 4075 1 4 Gottfried Otting . . . 4075 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'DnaB helicase' 4075 1 stop_ save_ save_citation_one _Citation.Sf_category citations _Citation.Sf_framecode citation_one _Citation.Entry_ID 4075 _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, J. H., 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. . 4075 2 2 'C G' Bigam C. G. . 4075 2 3 J Yao J. . . 4075 2 4 F Abildgaard F. . . 4075 2 5 'H J' Dyson H. J. . 4075 2 6 E Oldfield E. . . 4075 2 7 'J L' Markley J. L. . 4075 2 8 'B D' Sykes B. D. . 4075 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_DnaB-Nterm _Assembly.Sf_category assembly _Assembly.Sf_framecode system_DnaB-Nterm _Assembly.Entry_ID 4075 _Assembly.ID 1 _Assembly.Name 'DnaB helicase' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details 'N-terminal domain, residues 1-142' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4075 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 DnaB-Nterm 1 $DnaB-Nterm . . . native . . . . . 4075 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1JWE . 'A Chain A, Nmr Structure Of The N-Terminal Domain Of E. Coli Dnab Helicase' . . . . 4075 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'DnaB helicase' abbreviation 4075 1 'DnaB helicase' system 4075 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DnaB-Nterm _Entity.Sf_category entity _Entity.Sf_framecode DnaB-Nterm _Entity.Entry_ID 4075 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'DnaB helicase' _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 ; AGNKPFNKQQAEPRERDPQV AGLKVPPHSIEAEQSVLGGL MLDNERWDDVAERVVADDFY TRPHRHIFTEMARLQESGSP IDLITLAESLERQGQLDSVG GFAYLAELSKNTPSAANISA YADIVRERAVVREMISVANE IA ; _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 142 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 4297 . "DnaB helicase" . . . . . 80.28 114 99.12 100.00 1.26e-75 . . . . 4075 1 2 no PDB 1B79 . "N-Terminal Domain Of Dna Replication Protein Dnab" . . . . . 80.28 119 100.00 100.00 1.53e-76 . . . . 4075 1 3 no PDB 1JWE . "Nmr Structure Of The N-Terminal Domain Of E. Coli Dnab Helicase" . . . . . 80.28 114 99.12 100.00 1.26e-75 . . . . 4075 1 4 no DBJ BAB38457 . "replicative DNA helicase DnaB [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 471 99.30 100.00 1.58e-93 . . . . 4075 1 5 no DBJ BAE78054 . "replicative DNA helicase [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 471 100.00 100.00 5.68e-94 . . . . 4075 1 6 no DBJ BAG66812 . "replicative DNA helicase [Escherichia coli O111:H-]" . . . . . 100.00 471 100.00 100.00 5.68e-94 . . . . 4075 1 7 no DBJ BAG79869 . "replicative DNA helicase [Escherichia coli SE11]" . . . . . 100.00 471 100.00 100.00 5.68e-94 . . . . 4075 1 8 no DBJ BAH61192 . "replicative DNA helicase [Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044]" . . . . . 100.00 471 97.18 97.89 1.30e-90 . . . . 4075 1 9 no EMBL CAP78509 . "Replicative DNA helicase [Escherichia coli LF82]" . . . . . 100.00 471 100.00 100.00 5.68e-94 . . . . 4075 1 10 no EMBL CAQ34401 . "dnaB, subunit of replicative DNA helicase and primosome [Escherichia coli BL21(DE3)]" . . . . . 100.00 471 100.00 100.00 5.68e-94 . . . . 4075 1 11 no EMBL CAQ91563 . "replicative DNA helicase [Escherichia fergusonii ATCC 35469]" . . . . . 100.00 471 97.18 97.89 7.33e-91 . . . . 4075 1 12 no EMBL CAR01031 . "replicative DNA helicase [Escherichia coli IAI1]" . . . . . 100.00 471 100.00 100.00 5.68e-94 . . . . 4075 1 13 no EMBL CAR05689 . "replicative DNA helicase [Escherichia coli S88]" . . . . . 100.00 471 97.18 98.59 4.28e-91 . . . . 4075 1 14 no GB AAA23689 . "DnaB replication protein (dnaB) [Escherichia coli]" . . . . . 100.00 471 100.00 100.00 5.68e-94 . . . . 4075 1 15 no GB AAA23690 . "helicase, partial [Escherichia coli]" . . . . . 100.00 157 100.00 100.00 1.35e-97 . . . . 4075 1 16 no GB AAC43146 . "ORF_o471 [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 471 100.00 100.00 5.68e-94 . . . . 4075 1 17 no GB AAC77022 . "replicative DNA helicase [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 471 100.00 100.00 5.68e-94 . . . . 4075 1 18 no GB AAG59250 . "replicative DNA helicase; part of primosome [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 471 99.30 100.00 1.58e-93 . . . . 4075 1 19 no REF NP_313061 . "replicative DNA helicase [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 471 99.30 100.00 1.58e-93 . . . . 4075 1 20 no REF NP_418476 . "replicative DNA helicase [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 471 100.00 100.00 5.68e-94 . . . . 4075 1 21 no REF NP_709868 . "replicative DNA helicase [Shigella flexneri 2a str. 301]" . . . . . 100.00 471 100.00 100.00 5.68e-94 . . . . 4075 1 22 no REF WP_000918354 . "replicative DNA helicase [Shigella dysenteriae]" . . . . . 100.00 471 99.30 100.00 2.12e-93 . . . . 4075 1 23 no REF WP_000918355 . "MULTISPECIES: replicative DNA helicase [Escherichia]" . . . . . 100.00 471 99.30 100.00 2.12e-93 . . . . 4075 1 24 no SP P0ACB0 . "RecName: Full=Replicative DNA helicase" . . . . . 100.00 471 100.00 100.00 5.68e-94 . . . . 4075 1 25 no SP P0ACB1 . "RecName: Full=Replicative DNA helicase" . . . . . 100.00 471 100.00 100.00 5.68e-94 . . . . 4075 1 26 no SP Q8FB22 . "RecName: Full=Replicative DNA helicase" . . . . . 100.00 471 97.18 98.59 4.28e-91 . . . . 4075 1 27 no SP Q8X5V3 . "RecName: Full=Replicative DNA helicase" . . . . . 100.00 471 99.30 100.00 1.58e-93 . . . . 4075 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID DnaB abbreviation 4075 1 DnaBDC(143-470) variant 4075 1 'DnaB helicase' common 4075 1 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'DnaB N-terminal domain' . 4075 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 1 ALA . 4075 1 2 2 GLY . 4075 1 3 3 ASN . 4075 1 4 4 LYS . 4075 1 5 5 PRO . 4075 1 6 6 PHE . 4075 1 7 7 ASN . 4075 1 8 8 LYS . 4075 1 9 9 GLN . 4075 1 10 10 GLN . 4075 1 11 11 ALA . 4075 1 12 12 GLU . 4075 1 13 13 PRO . 4075 1 14 14 ARG . 4075 1 15 15 GLU . 4075 1 16 16 ARG . 4075 1 17 17 ASP . 4075 1 18 18 PRO . 4075 1 19 19 GLN . 4075 1 20 20 VAL . 4075 1 21 21 ALA . 4075 1 22 22 GLY . 4075 1 23 23 LEU . 4075 1 24 24 LYS . 4075 1 25 25 VAL . 4075 1 26 26 PRO . 4075 1 27 27 PRO . 4075 1 28 28 HIS . 4075 1 29 29 SER . 4075 1 30 30 ILE . 4075 1 31 31 GLU . 4075 1 32 32 ALA . 4075 1 33 33 GLU . 4075 1 34 34 GLN . 4075 1 35 35 SER . 4075 1 36 36 VAL . 4075 1 37 37 LEU . 4075 1 38 38 GLY . 4075 1 39 39 GLY . 4075 1 40 40 LEU . 4075 1 41 41 MET . 4075 1 42 42 LEU . 4075 1 43 43 ASP . 4075 1 44 44 ASN . 4075 1 45 45 GLU . 4075 1 46 46 ARG . 4075 1 47 47 TRP . 4075 1 48 48 ASP . 4075 1 49 49 ASP . 4075 1 50 50 VAL . 4075 1 51 51 ALA . 4075 1 52 52 GLU . 4075 1 53 53 ARG . 4075 1 54 54 VAL . 4075 1 55 55 VAL . 4075 1 56 56 ALA . 4075 1 57 57 ASP . 4075 1 58 58 ASP . 4075 1 59 59 PHE . 4075 1 60 60 TYR . 4075 1 61 61 THR . 4075 1 62 62 ARG . 4075 1 63 63 PRO . 4075 1 64 64 HIS . 4075 1 65 65 ARG . 4075 1 66 66 HIS . 4075 1 67 67 ILE . 4075 1 68 68 PHE . 4075 1 69 69 THR . 4075 1 70 70 GLU . 4075 1 71 71 MET . 4075 1 72 72 ALA . 4075 1 73 73 ARG . 4075 1 74 74 LEU . 4075 1 75 75 GLN . 4075 1 76 76 GLU . 4075 1 77 77 SER . 4075 1 78 78 GLY . 4075 1 79 79 SER . 4075 1 80 80 PRO . 4075 1 81 81 ILE . 4075 1 82 82 ASP . 4075 1 83 83 LEU . 4075 1 84 84 ILE . 4075 1 85 85 THR . 4075 1 86 86 LEU . 4075 1 87 87 ALA . 4075 1 88 88 GLU . 4075 1 89 89 SER . 4075 1 90 90 LEU . 4075 1 91 91 GLU . 4075 1 92 92 ARG . 4075 1 93 93 GLN . 4075 1 94 94 GLY . 4075 1 95 95 GLN . 4075 1 96 96 LEU . 4075 1 97 97 ASP . 4075 1 98 98 SER . 4075 1 99 99 VAL . 4075 1 100 100 GLY . 4075 1 101 101 GLY . 4075 1 102 102 PHE . 4075 1 103 103 ALA . 4075 1 104 104 TYR . 4075 1 105 105 LEU . 4075 1 106 106 ALA . 4075 1 107 107 GLU . 4075 1 108 108 LEU . 4075 1 109 109 SER . 4075 1 110 110 LYS . 4075 1 111 111 ASN . 4075 1 112 112 THR . 4075 1 113 113 PRO . 4075 1 114 114 SER . 4075 1 115 115 ALA . 4075 1 116 116 ALA . 4075 1 117 117 ASN . 4075 1 118 118 ILE . 4075 1 119 119 SER . 4075 1 120 120 ALA . 4075 1 121 121 TYR . 4075 1 122 122 ALA . 4075 1 123 123 ASP . 4075 1 124 124 ILE . 4075 1 125 125 VAL . 4075 1 126 126 ARG . 4075 1 127 127 GLU . 4075 1 128 128 ARG . 4075 1 129 129 ALA . 4075 1 130 130 VAL . 4075 1 131 131 VAL . 4075 1 132 132 ARG . 4075 1 133 133 GLU . 4075 1 134 134 MET . 4075 1 135 135 ILE . 4075 1 136 136 SER . 4075 1 137 137 VAL . 4075 1 138 138 ALA . 4075 1 139 139 ASN . 4075 1 140 140 GLU . 4075 1 141 141 ILE . 4075 1 142 142 ALA . 4075 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 . ALA 1 1 4075 1 . GLY 2 2 4075 1 . ASN 3 3 4075 1 . LYS 4 4 4075 1 . PRO 5 5 4075 1 . PHE 6 6 4075 1 . ASN 7 7 4075 1 . LYS 8 8 4075 1 . GLN 9 9 4075 1 . GLN 10 10 4075 1 . ALA 11 11 4075 1 . GLU 12 12 4075 1 . PRO 13 13 4075 1 . ARG 14 14 4075 1 . GLU 15 15 4075 1 . ARG 16 16 4075 1 . ASP 17 17 4075 1 . PRO 18 18 4075 1 . GLN 19 19 4075 1 . VAL 20 20 4075 1 . ALA 21 21 4075 1 . GLY 22 22 4075 1 . LEU 23 23 4075 1 . LYS 24 24 4075 1 . VAL 25 25 4075 1 . PRO 26 26 4075 1 . PRO 27 27 4075 1 . HIS 28 28 4075 1 . SER 29 29 4075 1 . ILE 30 30 4075 1 . GLU 31 31 4075 1 . ALA 32 32 4075 1 . GLU 33 33 4075 1 . GLN 34 34 4075 1 . SER 35 35 4075 1 . VAL 36 36 4075 1 . LEU 37 37 4075 1 . GLY 38 38 4075 1 . GLY 39 39 4075 1 . LEU 40 40 4075 1 . MET 41 41 4075 1 . LEU 42 42 4075 1 . ASP 43 43 4075 1 . ASN 44 44 4075 1 . GLU 45 45 4075 1 . ARG 46 46 4075 1 . TRP 47 47 4075 1 . ASP 48 48 4075 1 . ASP 49 49 4075 1 . VAL 50 50 4075 1 . ALA 51 51 4075 1 . GLU 52 52 4075 1 . ARG 53 53 4075 1 . VAL 54 54 4075 1 . VAL 55 55 4075 1 . ALA 56 56 4075 1 . ASP 57 57 4075 1 . ASP 58 58 4075 1 . PHE 59 59 4075 1 . TYR 60 60 4075 1 . THR 61 61 4075 1 . ARG 62 62 4075 1 . PRO 63 63 4075 1 . HIS 64 64 4075 1 . ARG 65 65 4075 1 . HIS 66 66 4075 1 . ILE 67 67 4075 1 . PHE 68 68 4075 1 . THR 69 69 4075 1 . GLU 70 70 4075 1 . MET 71 71 4075 1 . ALA 72 72 4075 1 . ARG 73 73 4075 1 . LEU 74 74 4075 1 . GLN 75 75 4075 1 . GLU 76 76 4075 1 . SER 77 77 4075 1 . GLY 78 78 4075 1 . SER 79 79 4075 1 . PRO 80 80 4075 1 . ILE 81 81 4075 1 . ASP 82 82 4075 1 . LEU 83 83 4075 1 . ILE 84 84 4075 1 . THR 85 85 4075 1 . LEU 86 86 4075 1 . ALA 87 87 4075 1 . GLU 88 88 4075 1 . SER 89 89 4075 1 . LEU 90 90 4075 1 . GLU 91 91 4075 1 . ARG 92 92 4075 1 . GLN 93 93 4075 1 . GLY 94 94 4075 1 . GLN 95 95 4075 1 . LEU 96 96 4075 1 . ASP 97 97 4075 1 . SER 98 98 4075 1 . VAL 99 99 4075 1 . GLY 100 100 4075 1 . GLY 101 101 4075 1 . PHE 102 102 4075 1 . ALA 103 103 4075 1 . TYR 104 104 4075 1 . LEU 105 105 4075 1 . ALA 106 106 4075 1 . GLU 107 107 4075 1 . LEU 108 108 4075 1 . SER 109 109 4075 1 . LYS 110 110 4075 1 . ASN 111 111 4075 1 . THR 112 112 4075 1 . PRO 113 113 4075 1 . SER 114 114 4075 1 . ALA 115 115 4075 1 . ALA 116 116 4075 1 . ASN 117 117 4075 1 . ILE 118 118 4075 1 . SER 119 119 4075 1 . ALA 120 120 4075 1 . TYR 121 121 4075 1 . ALA 122 122 4075 1 . ASP 123 123 4075 1 . ILE 124 124 4075 1 . VAL 125 125 4075 1 . ARG 126 126 4075 1 . GLU 127 127 4075 1 . ARG 128 128 4075 1 . ALA 129 129 4075 1 . VAL 130 130 4075 1 . VAL 131 131 4075 1 . ARG 132 132 4075 1 . GLU 133 133 4075 1 . MET 134 134 4075 1 . ILE 135 135 4075 1 . SER 136 136 4075 1 . VAL 137 137 4075 1 . ALA 138 138 4075 1 . ASN 139 139 4075 1 . GLU 140 140 4075 1 . ILE 141 141 4075 1 . ALA 142 142 4075 1 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 4075 _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 $DnaB-Nterm . 562 . . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 4075 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 4075 _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 $DnaB-Nterm . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21DE3 . . . . . . . . . . . . plasmid . . pCM865 . . . 'natural source' . . 4075 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4075 _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 'DnaB helicase' [U-13C;U-15N] . . 1 $DnaB-Nterm . . 1.8 . . mM . . . . 4075 1 2 'sodium phosphate' . . . . . . . 20 . . mM . . . . 4075 1 3 pefabloc . . . . . . . 1 . . mM . . . . 4075 1 4 EDTA . . . . . . . 1 . . mM . . . . 4075 1 5 NaN3 . . . . . . . 0.02 . . '% w/v' . . . . 4075 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions _Sample_condition_list.Entry_ID 4075 _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 6.5 0.1 n/a 4075 1 temperature 305 0.1 K 4075 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 4075 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 4075 _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 spectrometer_1 unknown unknown . 0 'spectrometer information not available' . . 4075 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 4075 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference _Chem_shift_reference.Entry_ID 4075 _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 . . . . . ppm 0.0 . indirect 0.251449530 . . . 2 $citation_one . . . . 4075 1 H 1 H2O . . . . . ppm 4.766 internal direct . . . . . . temperature -0.083 2 $citation_one 4075 1 N 15 DSS . . . . . ppm 0.0 . indirect 0.101329118 . . . 2 $citation_one . . . . 4075 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_assignment _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment _Assigned_chem_shift_list.Entry_ID 4075 _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 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 4075 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 ASN H H 1 8.41 0.01 . 1 . . . . . . . . 4075 1 2 . 1 1 3 3 ASN HA H 1 4.68 0.01 . 1 . . . . . . . . 4075 1 3 . 1 1 3 3 ASN C C 13 174.9 0.1 . 1 . . . . . . . . 4075 1 4 . 1 1 3 3 ASN CA C 13 53.1 0.1 . 1 . . . . . . . . 4075 1 5 . 1 1 3 3 ASN N N 15 118.5 0.1 . 1 . . . . . . . . 4075 1 6 . 1 1 4 4 LYS H H 1 8.23 0.01 . 1 . . . . . . . . 4075 1 7 . 1 1 4 4 LYS HA H 1 4.57 0.01 . 1 . . . . . . . . 4075 1 8 . 1 1 4 4 LYS CA C 13 54.2 0.1 . 1 . . . . . . . . 4075 1 9 . 1 1 4 4 LYS N N 15 122.4 0.1 . 1 . . . . . . . . 4075 1 10 . 1 1 5 5 PRO HA H 1 4.35 0.01 . 1 . . . . . . . . 4075 1 11 . 1 1 5 5 PRO C C 13 176.7 0.1 . 1 . . . . . . . . 4075 1 12 . 1 1 5 5 PRO CA C 13 63.2 0.1 . 1 . . . . . . . . 4075 1 13 . 1 1 6 6 PHE H H 1 8.2 0.01 . 1 . . . . . . . . 4075 1 14 . 1 1 6 6 PHE HA H 1 4.54 0.01 . 1 . . . . . . . . 4075 1 15 . 1 1 6 6 PHE CA C 13 57.7 0.1 . 1 . . . . . . . . 4075 1 16 . 1 1 6 6 PHE N N 15 120.1 0.1 . 1 . . . . . . . . 4075 1 17 . 1 1 7 7 ASN H H 1 8.19 0.01 . 1 . . . . . . . . 4075 1 18 . 1 1 7 7 ASN HA H 1 4.6 0.01 . 1 . . . . . . . . 4075 1 19 . 1 1 7 7 ASN C C 13 174.7 0.1 . 1 . . . . . . . . 4075 1 20 . 1 1 7 7 ASN CA C 13 52.9 0.1 . 1 . . . . . . . . 4075 1 21 . 1 1 7 7 ASN N N 15 120.9 0.1 . 1 . . . . . . . . 4075 1 22 . 1 1 8 8 LYS H H 1 8.14 0.01 . 1 . . . . . . . . 4075 1 23 . 1 1 8 8 LYS HA H 1 4.19 0.01 . 1 . . . . . . . . 4075 1 24 . 1 1 8 8 LYS CA C 13 56.7 0.1 . 1 . . . . . . . . 4075 1 25 . 1 1 8 8 LYS N N 15 121.9 0.1 . 1 . . . . . . . . 4075 1 26 . 1 1 9 9 GLN H H 1 8.29 0.01 . 1 . . . . . . . . 4075 1 27 . 1 1 9 9 GLN HA H 1 4.26 0.01 . 1 . . . . . . . . 4075 1 28 . 1 1 9 9 GLN CA C 13 56.1 0.1 . 1 . . . . . . . . 4075 1 29 . 1 1 9 9 GLN N N 15 120.9 0.1 . 1 . . . . . . . . 4075 1 30 . 1 1 10 10 GLN H H 1 8.21 0.01 . 1 . . . . . . . . 4075 1 31 . 1 1 10 10 GLN HA H 1 4.27 0.01 . 1 . . . . . . . . 4075 1 32 . 1 1 10 10 GLN C C 13 175.4 0.1 . 1 . . . . . . . . 4075 1 33 . 1 1 10 10 GLN CA C 13 55.7 0.1 . 1 . . . . . . . . 4075 1 34 . 1 1 10 10 GLN N N 15 121.1 0.1 . 1 . . . . . . . . 4075 1 35 . 1 1 11 11 ALA H H 1 8.22 0.01 . 1 . . . . . . . . 4075 1 36 . 1 1 11 11 ALA HA H 1 4.3 0.01 . 1 . . . . . . . . 4075 1 37 . 1 1 11 11 ALA C C 13 177.3 0.1 . 1 . . . . . . . . 4075 1 38 . 1 1 11 11 ALA CA C 13 52.3 0.1 . 1 . . . . . . . . 4075 1 39 . 1 1 11 11 ALA N N 15 125.1 0.1 . 1 . . . . . . . . 4075 1 40 . 1 1 12 12 GLU H H 1 8.28 0.01 . 1 . . . . . . . . 4075 1 41 . 1 1 12 12 GLU HA H 1 4.54 0.01 . 1 . . . . . . . . 4075 1 42 . 1 1 12 12 GLU CA C 13 54.4 0.1 . 1 . . . . . . . . 4075 1 43 . 1 1 12 12 GLU N N 15 121.5 0.1 . 1 . . . . . . . . 4075 1 44 . 1 1 13 13 PRO HA H 1 4.38 0.01 . 1 . . . . . . . . 4075 1 45 . 1 1 13 13 PRO C C 13 177.00 0.1 . 1 . . . . . . . . 4075 1 46 . 1 1 13 13 PRO CA C 13 63.3 0.1 . 1 . . . . . . . . 4075 1 47 . 1 1 14 14 ARG H H 1 8.35 0.01 . 1 . . . . . . . . 4075 1 48 . 1 1 14 14 ARG HA H 1 4.3 0.01 . 1 . . . . . . . . 4075 1 49 . 1 1 14 14 ARG C C 13 176.4 0.1 . 1 . . . . . . . . 4075 1 50 . 1 1 14 14 ARG CA C 13 56.2 0.1 . 1 . . . . . . . . 4075 1 51 . 1 1 14 14 ARG N N 15 120.9 0.1 . 1 . . . . . . . . 4075 1 52 . 1 1 15 15 GLU H H 1 8.36 0.01 . 1 . . . . . . . . 4075 1 53 . 1 1 15 15 GLU HA H 1 4.24 0.01 . 1 . . . . . . . . 4075 1 54 . 1 1 15 15 GLU C C 13 176.2 0.1 . 1 . . . . . . . . 4075 1 55 . 1 1 15 15 GLU CA C 13 56.6 0.1 . 1 . . . . . . . . 4075 1 56 . 1 1 15 15 GLU N N 15 121.3 0.1 . 1 . . . . . . . . 4075 1 57 . 1 1 16 16 ARG H H 1 8.23 0.01 . 1 . . . . . . . . 4075 1 58 . 1 1 16 16 ARG HA H 1 4.26 0.01 . 1 . . . . . . . . 4075 1 59 . 1 1 16 16 ARG C C 13 175.7 0.1 . 1 . . . . . . . . 4075 1 60 . 1 1 16 16 ARG CA C 13 55.9 0.1 . 1 . . . . . . . . 4075 1 61 . 1 1 16 16 ARG N N 15 121.3 0.1 . 1 . . . . . . . . 4075 1 62 . 1 1 17 17 ASP H H 1 8.28 0.01 . 1 . . . . . . . . 4075 1 63 . 1 1 17 17 ASP HA H 1 4.82 0.01 . 1 . . . . . . . . 4075 1 64 . 1 1 17 17 ASP CA C 13 52.4 0.1 . 1 . . . . . . . . 4075 1 65 . 1 1 17 17 ASP N N 15 122.8 0.1 . 1 . . . . . . . . 4075 1 66 . 1 1 18 18 PRO HA H 1 4.36 0.01 . 1 . . . . . . . . 4075 1 67 . 1 1 18 18 PRO C C 13 177.4 0.1 . 1 . . . . . . . . 4075 1 68 . 1 1 18 18 PRO CA C 13 63.7 0.1 . 1 . . . . . . . . 4075 1 69 . 1 1 19 19 GLN H H 1 8.47 0.01 . 1 . . . . . . . . 4075 1 70 . 1 1 19 19 GLN HA H 1 4.25 0.01 . 1 . . . . . . . . 4075 1 71 . 1 1 19 19 GLN C C 13 176.5 0.1 . 1 . . . . . . . . 4075 1 72 . 1 1 19 19 GLN CA C 13 56.4 0.1 . 1 . . . . . . . . 4075 1 73 . 1 1 19 19 GLN N N 15 119.00 0.1 . 1 . . . . . . . . 4075 1 74 . 1 1 20 20 VAL H H 1 7.86 0.01 . 1 . . . . . . . . 4075 1 75 . 1 1 20 20 VAL HA H 1 4.06 0.01 . 1 . . . . . . . . 4075 1 76 . 1 1 20 20 VAL C C 13 176.1 0.1 . 1 . . . . . . . . 4075 1 77 . 1 1 20 20 VAL CA C 13 62.5 0.1 . 1 . . . . . . . . 4075 1 78 . 1 1 20 20 VAL N N 15 119.7 0.1 . 1 . . . . . . . . 4075 1 79 . 1 1 21 21 ALA H H 1 8.2 0.01 . 1 . . . . . . . . 4075 1 80 . 1 1 21 21 ALA HA H 1 4.27 0.01 . 1 . . . . . . . . 4075 1 81 . 1 1 21 21 ALA C C 13 178.2 0.1 . 1 . . . . . . . . 4075 1 82 . 1 1 21 21 ALA CA C 13 52.9 0.1 . 1 . . . . . . . . 4075 1 83 . 1 1 21 21 ALA N N 15 126.4 0.1 . 1 . . . . . . . . 4075 1 84 . 1 1 22 22 GLY H H 1 8.19 0.01 . 1 . . . . . . . . 4075 1 85 . 1 1 22 22 GLY HA2 H 1 3.9 0.1 . 2 . . . . . . . . 4075 1 86 . 1 1 22 22 GLY C C 13 174.00 0.1 . 1 . . . . . . . . 4075 1 87 . 1 1 22 22 GLY CA C 13 45.3 0.1 . 1 . . . . . . . . 4075 1 88 . 1 1 22 22 GLY N N 15 107.3 0.1 . 1 . . . . . . . . 4075 1 89 . 1 1 23 23 LEU H H 1 7.87 0.01 . 1 . . . . . . . . 4075 1 90 . 1 1 23 23 LEU HA H 1 4.31 0.01 . 1 . . . . . . . . 4075 1 91 . 1 1 23 23 LEU C C 13 177.3 0.1 . 1 . . . . . . . . 4075 1 92 . 1 1 23 23 LEU CA C 13 55.2 0.1 . 1 . . . . . . . . 4075 1 93 . 1 1 23 23 LEU N N 15 121.2 0.1 . 1 . . . . . . . . 4075 1 94 . 1 1 24 24 LYS H H 1 8.29 0.01 . 1 . . . . . . . . 4075 1 95 . 1 1 24 24 LYS HA H 1 4.33 0.01 . 1 . . . . . . . . 4075 1 96 . 1 1 24 24 LYS C C 13 176.2 0.1 . 1 . . . . . . . . 4075 1 97 . 1 1 24 24 LYS CA C 13 56.1 0.1 . 1 . . . . . . . . 4075 1 98 . 1 1 24 24 LYS N N 15 122.3 0.1 . 1 . . . . . . . . 4075 1 99 . 1 1 25 25 VAL H H 1 7.95 0.01 . 1 . . . . . . . . 4075 1 100 . 1 1 25 25 VAL HA H 1 4.41 0.01 . 1 . . . . . . . . 4075 1 101 . 1 1 25 25 VAL C C 13 173.9 0.1 . 1 . . . . . . . . 4075 1 102 . 1 1 25 25 VAL CA C 13 59.5 0.1 . 1 . . . . . . . . 4075 1 103 . 1 1 25 25 VAL N N 15 122.00 0.1 . 1 . . . . . . . . 4075 1 104 . 1 1 29 29 SER HA H 1 4.7 0.01 . 1 . . . . . . . . 4075 1 105 . 1 1 29 29 SER C C 13 174.6 0.1 . 1 . . . . . . . . 4075 1 106 . 1 1 30 30 ILE H H 1 9.16 0.01 . 1 . . . . . . . . 4075 1 107 . 1 1 30 30 ILE HA H 1 4.01 0.01 . 1 . . . . . . . . 4075 1 108 . 1 1 30 30 ILE C C 13 178.00 0.1 . 1 . . . . . . . . 4075 1 109 . 1 1 30 30 ILE CA C 13 64.2 0.1 . 1 . . . . . . . . 4075 1 110 . 1 1 30 30 ILE N N 15 129.9 0.1 . 1 . . . . . . . . 4075 1 111 . 1 1 31 31 GLU H H 1 8.93 0.01 . 1 . . . . . . . . 4075 1 112 . 1 1 31 31 GLU HA H 1 4.12 0.01 . 1 . . . . . . . . 4075 1 113 . 1 1 31 31 GLU C C 13 179.4 0.1 . 1 . . . . . . . . 4075 1 114 . 1 1 31 31 GLU CA C 13 60.00 0.1 . 1 . . . . . . . . 4075 1 115 . 1 1 31 31 GLU N N 15 120.1 0.1 . 1 . . . . . . . . 4075 1 116 . 1 1 32 32 ALA H H 1 8.02 0.01 . 1 . . . . . . . . 4075 1 117 . 1 1 32 32 ALA HA H 1 3.81 0.01 . 1 . . . . . . . . 4075 1 118 . 1 1 32 32 ALA C C 13 179.2 0.1 . 1 . . . . . . . . 4075 1 119 . 1 1 32 32 ALA CA C 13 55.5 0.1 . 1 . . . . . . . . 4075 1 120 . 1 1 32 32 ALA N N 15 122.7 0.1 . 1 . . . . . . . . 4075 1 121 . 1 1 33 33 GLU H H 1 7.9 0.01 . 1 . . . . . . . . 4075 1 122 . 1 1 33 33 GLU HA H 1 3.79 0.01 . 1 . . . . . . . . 4075 1 123 . 1 1 33 33 GLU C C 13 178.9 0.1 . 1 . . . . . . . . 4075 1 124 . 1 1 33 33 GLU CA C 13 60.9 0.1 . 1 . . . . . . . . 4075 1 125 . 1 1 33 33 GLU N N 15 115.8 0.1 . 1 . . . . . . . . 4075 1 126 . 1 1 34 34 GLN H H 1 8.65 0.01 . 1 . . . . . . . . 4075 1 127 . 1 1 34 34 GLN HA H 1 3.56 0.01 . 1 . . . . . . . . 4075 1 128 . 1 1 34 34 GLN C C 13 178.7 0.1 . 1 . . . . . . . . 4075 1 129 . 1 1 34 34 GLN CA C 13 59.6 0.1 . 1 . . . . . . . . 4075 1 130 . 1 1 34 34 GLN N N 15 115.2 0.1 . 1 . . . . . . . . 4075 1 131 . 1 1 35 35 SER H H 1 7.87 0.01 . 1 . . . . . . . . 4075 1 132 . 1 1 35 35 SER HA H 1 4.15 0.01 . 1 . . . . . . . . 4075 1 133 . 1 1 35 35 SER C C 13 176.9 0.1 . 1 . . . . . . . . 4075 1 134 . 1 1 35 35 SER CA C 13 62.4 0.1 . 1 . . . . . . . . 4075 1 135 . 1 1 35 35 SER N N 15 114.8 0.1 . 1 . . . . . . . . 4075 1 136 . 1 1 36 36 VAL H H 1 7.99 0.01 . 1 . . . . . . . . 4075 1 137 . 1 1 36 36 VAL HA H 1 3.67 0.01 . 1 . . . . . . . . 4075 1 138 . 1 1 36 36 VAL C C 13 176.4 0.1 . 1 . . . . . . . . 4075 1 139 . 1 1 36 36 VAL CA C 13 66.9 0.1 . 1 . . . . . . . . 4075 1 140 . 1 1 36 36 VAL N N 15 121.7 0.1 . 1 . . . . . . . . 4075 1 141 . 1 1 37 37 LEU H H 1 7.7 0.01 . 1 . . . . . . . . 4075 1 142 . 1 1 37 37 LEU HA H 1 4.05 0.01 . 1 . . . . . . . . 4075 1 143 . 1 1 37 37 LEU C C 13 179.00 0.1 . 1 . . . . . . . . 4075 1 144 . 1 1 37 37 LEU CA C 13 58.2 0.1 . 1 . . . . . . . . 4075 1 145 . 1 1 37 37 LEU N N 15 116.2 0.1 . 1 . . . . . . . . 4075 1 146 . 1 1 38 38 GLY H H 1 8.81 0.01 . 1 . . . . . . . . 4075 1 147 . 1 1 38 38 GLY HA2 H 1 3.88 0.1 . 2 . . . . . . . . 4075 1 148 . 1 1 38 38 GLY HA3 H 1 3.5 0.1 . 2 . . . . . . . . 4075 1 149 . 1 1 38 38 GLY C C 13 176.6 0.1 . 1 . . . . . . . . 4075 1 150 . 1 1 38 38 GLY CA C 13 47.4 0.1 . 1 . . . . . . . . 4075 1 151 . 1 1 38 38 GLY N N 15 104.6 0.1 . 1 . . . . . . . . 4075 1 152 . 1 1 39 39 GLY H H 1 8.06 0.01 . 1 . . . . . . . . 4075 1 153 . 1 1 39 39 GLY HA2 H 1 3.75 0.1 . 2 . . . . . . . . 4075 1 154 . 1 1 39 39 GLY C C 13 175.8 0.1 . 1 . . . . . . . . 4075 1 155 . 1 1 39 39 GLY CA C 13 47.6 0.1 . 1 . . . . . . . . 4075 1 156 . 1 1 39 39 GLY N N 15 108.6 0.1 . 1 . . . . . . . . 4075 1 157 . 1 1 40 40 LEU H H 1 7.93 0.01 . 1 . . . . . . . . 4075 1 158 . 1 1 40 40 LEU HA H 1 4.14 0.01 . 1 . . . . . . . . 4075 1 159 . 1 1 40 40 LEU C C 13 178.3 0.1 . 1 . . . . . . . . 4075 1 160 . 1 1 40 40 LEU CA C 13 56.9 0.1 . 1 . . . . . . . . 4075 1 161 . 1 1 40 40 LEU N N 15 122.1 0.1 . 1 . . . . . . . . 4075 1 162 . 1 1 41 41 MET H H 1 7.29 0.01 . 1 . . . . . . . . 4075 1 163 . 1 1 41 41 MET HA H 1 4.2 0.01 . 1 . . . . . . . . 4075 1 164 . 1 1 41 41 MET C C 13 178.6 0.1 . 1 . . . . . . . . 4075 1 165 . 1 1 41 41 MET CA C 13 58.9 0.1 . 1 . . . . . . . . 4075 1 166 . 1 1 41 41 MET N N 15 115.5 0.1 . 1 . . . . . . . . 4075 1 167 . 1 1 42 42 LEU H H 1 7.29 0.01 . 1 . . . . . . . . 4075 1 168 . 1 1 42 42 LEU HA H 1 4.23 0.01 . 1 . . . . . . . . 4075 1 169 . 1 1 42 42 LEU C C 13 177.2 0.1 . 1 . . . . . . . . 4075 1 170 . 1 1 42 42 LEU CA C 13 56.5 0.1 . 1 . . . . . . . . 4075 1 171 . 1 1 42 42 LEU N N 15 118.1 0.1 . 1 . . . . . . . . 4075 1 172 . 1 1 43 43 ASP H H 1 8.1 0.01 . 1 . . . . . . . . 4075 1 173 . 1 1 43 43 ASP HA H 1 4.93 0.01 . 1 . . . . . . . . 4075 1 174 . 1 1 43 43 ASP C C 13 175.3 0.1 . 1 . . . . . . . . 4075 1 175 . 1 1 43 43 ASP CA C 13 52.5 0.1 . 1 . . . . . . . . 4075 1 176 . 1 1 43 43 ASP N N 15 119.4 0.1 . 1 . . . . . . . . 4075 1 177 . 1 1 44 44 ASN H H 1 9.1 0.01 . 1 . . . . . . . . 4075 1 178 . 1 1 44 44 ASN HA H 1 4.55 0.01 . 1 . . . . . . . . 4075 1 179 . 1 1 44 44 ASN C C 13 177.4 0.1 . 1 . . . . . . . . 4075 1 180 . 1 1 44 44 ASN CA C 13 55.1 0.1 . 1 . . . . . . . . 4075 1 181 . 1 1 44 44 ASN N N 15 120.6 0.1 . 1 . . . . . . . . 4075 1 182 . 1 1 45 45 GLU H H 1 8.35 0.01 . 1 . . . . . . . . 4075 1 183 . 1 1 45 45 GLU HA H 1 4.26 0.01 . 1 . . . . . . . . 4075 1 184 . 1 1 45 45 GLU C C 13 177.6 0.1 . 1 . . . . . . . . 4075 1 185 . 1 1 45 45 GLU CA C 13 58.1 0.1 . 1 . . . . . . . . 4075 1 186 . 1 1 45 45 GLU N N 15 116.6 0.1 . 1 . . . . . . . . 4075 1 187 . 1 1 46 46 ARG H H 1 7.59 0.01 . 1 . . . . . . . . 4075 1 188 . 1 1 46 46 ARG HA H 1 4.52 0.01 . 1 . . . . . . . . 4075 1 189 . 1 1 46 46 ARG C C 13 175.4 0.1 . 1 . . . . . . . . 4075 1 190 . 1 1 46 46 ARG CA C 13 55.2 0.1 . 1 . . . . . . . . 4075 1 191 . 1 1 46 46 ARG N N 15 116.8 0.1 . 1 . . . . . . . . 4075 1 192 . 1 1 47 47 TRP H H 1 7.71 0.01 . 1 . . . . . . . . 4075 1 193 . 1 1 47 47 TRP HA H 1 4.00 0.01 . 1 . . . . . . . . 4075 1 194 . 1 1 47 47 TRP C C 13 176.3 0.1 . 1 . . . . . . . . 4075 1 195 . 1 1 47 47 TRP CA C 13 61.5 0.1 . 1 . . . . . . . . 4075 1 196 . 1 1 47 47 TRP N N 15 119.4 0.1 . 1 . . . . . . . . 4075 1 197 . 1 1 48 48 ASP H H 1 8.34 0.01 . 1 . . . . . . . . 4075 1 198 . 1 1 48 48 ASP HA H 1 4.06 0.01 . 1 . . . . . . . . 4075 1 199 . 1 1 48 48 ASP C C 13 178.3 0.1 . 1 . . . . . . . . 4075 1 200 . 1 1 48 48 ASP CA C 13 58.00 0.1 . 1 . . . . . . . . 4075 1 201 . 1 1 48 48 ASP N N 15 115.6 0.1 . 1 . . . . . . . . 4075 1 202 . 1 1 49 49 ASP H H 1 7.77 0.01 . 1 . . . . . . . . 4075 1 203 . 1 1 49 49 ASP HA H 1 4.24 0.01 . 1 . . . . . . . . 4075 1 204 . 1 1 49 49 ASP C C 13 178.3 0.1 . 1 . . . . . . . . 4075 1 205 . 1 1 49 49 ASP CA C 13 56.9 0.1 . 1 . . . . . . . . 4075 1 206 . 1 1 49 49 ASP N N 15 117.7 0.1 . 1 . . . . . . . . 4075 1 207 . 1 1 50 50 VAL H H 1 7.58 0.01 . 1 . . . . . . . . 4075 1 208 . 1 1 50 50 VAL HA H 1 3.35 0.01 . 1 . . . . . . . . 4075 1 209 . 1 1 50 50 VAL C C 13 177.7 0.1 . 1 . . . . . . . . 4075 1 210 . 1 1 50 50 VAL CA C 13 66.7 0.1 . 1 . . . . . . . . 4075 1 211 . 1 1 50 50 VAL N N 15 118.3 0.1 . 1 . . . . . . . . 4075 1 212 . 1 1 51 51 ALA H H 1 8.79 0.01 . 1 . . . . . . . . 4075 1 213 . 1 1 51 51 ALA HA H 1 4.04 0.01 . 1 . . . . . . . . 4075 1 214 . 1 1 51 51 ALA C C 13 178.8 0.1 . 1 . . . . . . . . 4075 1 215 . 1 1 51 51 ALA CA C 13 53.9 0.1 . 1 . . . . . . . . 4075 1 216 . 1 1 51 51 ALA N N 15 121.9 0.1 . 1 . . . . . . . . 4075 1 217 . 1 1 52 52 GLU H H 1 7.18 0.01 . 1 . . . . . . . . 4075 1 218 . 1 1 52 52 GLU HA H 1 4.22 0.01 . 1 . . . . . . . . 4075 1 219 . 1 1 52 52 GLU C C 13 177.00 0.1 . 1 . . . . . . . . 4075 1 220 . 1 1 52 52 GLU CA C 13 57.00 0.1 . 1 . . . . . . . . 4075 1 221 . 1 1 52 52 GLU N N 15 113.7 0.1 . 1 . . . . . . . . 4075 1 222 . 1 1 53 53 ARG H H 1 7.82 0.01 . 1 . . . . . . . . 4075 1 223 . 1 1 53 53 ARG HA H 1 4.28 0.01 . 1 . . . . . . . . 4075 1 224 . 1 1 53 53 ARG C C 13 175.3 0.1 . 1 . . . . . . . . 4075 1 225 . 1 1 53 53 ARG CA C 13 57.1 0.1 . 1 . . . . . . . . 4075 1 226 . 1 1 53 53 ARG N N 15 118.3 0.1 . 1 . . . . . . . . 4075 1 227 . 1 1 54 54 VAL H H 1 7.63 0.01 . 1 . . . . . . . . 4075 1 228 . 1 1 54 54 VAL HA H 1 4.79 0.01 . 1 . . . . . . . . 4075 1 229 . 1 1 54 54 VAL C C 13 173.6 0.1 . 1 . . . . . . . . 4075 1 230 . 1 1 54 54 VAL CA C 13 59.00 0.1 . 1 . . . . . . . . 4075 1 231 . 1 1 54 54 VAL N N 15 112.5 0.1 . 1 . . . . . . . . 4075 1 232 . 1 1 55 55 VAL H H 1 8.29 0.01 . 1 . . . . . . . . 4075 1 233 . 1 1 55 55 VAL HA H 1 4.66 0.01 . 1 . . . . . . . . 4075 1 234 . 1 1 55 55 VAL C C 13 177.6 0.1 . 1 . . . . . . . . 4075 1 235 . 1 1 55 55 VAL CA C 13 58.8 0.1 . 1 . . . . . . . . 4075 1 236 . 1 1 55 55 VAL N N 15 113.1 0.1 . 1 . . . . . . . . 4075 1 237 . 1 1 56 56 ALA H H 1 8.99 0.01 . 1 . . . . . . . . 4075 1 238 . 1 1 56 56 ALA HA H 1 3.94 0.01 . 1 . . . . . . . . 4075 1 239 . 1 1 56 56 ALA C C 13 179.2 0.1 . 1 . . . . . . . . 4075 1 240 . 1 1 56 56 ALA CA C 13 56.5 0.1 . 1 . . . . . . . . 4075 1 241 . 1 1 56 56 ALA N N 15 123.6 0.1 . 1 . . . . . . . . 4075 1 242 . 1 1 57 57 ASP H H 1 8.04 0.01 . 1 . . . . . . . . 4075 1 243 . 1 1 57 57 ASP HA H 1 4.34 0.01 . 1 . . . . . . . . 4075 1 244 . 1 1 57 57 ASP C C 13 176.1 0.1 . 1 . . . . . . . . 4075 1 245 . 1 1 57 57 ASP CA C 13 56.00 0.1 . 1 . . . . . . . . 4075 1 246 . 1 1 57 57 ASP N N 15 110.7 0.1 . 1 . . . . . . . . 4075 1 247 . 1 1 58 58 ASP H H 1 7.94 0.01 . 1 . . . . . . . . 4075 1 248 . 1 1 58 58 ASP HA H 1 4.28 0.01 . 1 . . . . . . . . 4075 1 249 . 1 1 58 58 ASP CA C 13 56.3 0.1 . 1 . . . . . . . . 4075 1 250 . 1 1 58 58 ASP N N 15 117.4 0.1 . 1 . . . . . . . . 4075 1 251 . 1 1 63 63 PRO HA H 1 4.25 0.01 . 1 . . . . . . . . 4075 1 252 . 1 1 63 63 PRO C C 13 178.2 0.1 . 1 . . . . . . . . 4075 1 253 . 1 1 63 63 PRO CA C 13 66.4 0.1 . 1 . . . . . . . . 4075 1 254 . 1 1 64 64 HIS H H 1 7.2 0.01 . 1 . . . . . . . . 4075 1 255 . 1 1 64 64 HIS HA H 1 4.33 0.01 . 1 . . . . . . . . 4075 1 256 . 1 1 64 64 HIS C C 13 176.8 0.1 . 1 . . . . . . . . 4075 1 257 . 1 1 64 64 HIS CA C 13 57.1 0.1 . 1 . . . . . . . . 4075 1 258 . 1 1 64 64 HIS N N 15 114.00 0.1 . 1 . . . . . . . . 4075 1 259 . 1 1 65 65 ARG H H 1 8.03 0.01 . 1 . . . . . . . . 4075 1 260 . 1 1 65 65 ARG HA H 1 3.89 0.01 . 1 . . . . . . . . 4075 1 261 . 1 1 65 65 ARG CA C 13 60.7 0.1 . 1 . . . . . . . . 4075 1 262 . 1 1 65 65 ARG N N 15 119.00 0.1 . 1 . . . . . . . . 4075 1 263 . 1 1 66 66 HIS H H 1 8.18 0.01 . 1 . . . . . . . . 4075 1 264 . 1 1 66 66 HIS HA H 1 4.3 0.01 . 1 . . . . . . . . 4075 1 265 . 1 1 66 66 HIS C C 13 178.8 0.1 . 1 . . . . . . . . 4075 1 266 . 1 1 66 66 HIS CA C 13 58.9 0.1 . 1 . . . . . . . . 4075 1 267 . 1 1 66 66 HIS N N 15 119.3 0.1 . 1 . . . . . . . . 4075 1 268 . 1 1 67 67 ILE H H 1 8.66 0.01 . 1 . . . . . . . . 4075 1 269 . 1 1 67 67 ILE HA H 1 3.46 0.01 . 1 . . . . . . . . 4075 1 270 . 1 1 67 67 ILE C C 13 176.8 0.1 . 1 . . . . . . . . 4075 1 271 . 1 1 67 67 ILE CA C 13 66.9 0.1 . 1 . . . . . . . . 4075 1 272 . 1 1 67 67 ILE N N 15 120.2 0.1 . 1 . . . . . . . . 4075 1 273 . 1 1 68 68 PHE H H 1 8.41 0.01 . 1 . . . . . . . . 4075 1 274 . 1 1 68 68 PHE HA H 1 4.02 0.01 . 1 . . . . . . . . 4075 1 275 . 1 1 68 68 PHE C C 13 177.1 0.1 . 1 . . . . . . . . 4075 1 276 . 1 1 68 68 PHE CA C 13 62.7 0.1 . 1 . . . . . . . . 4075 1 277 . 1 1 68 68 PHE N N 15 120.00 0.1 . 1 . . . . . . . . 4075 1 278 . 1 1 69 69 THR H H 1 8.21 0.01 . 1 . . . . . . . . 4075 1 279 . 1 1 69 69 THR HA H 1 3.94 0.01 . 1 . . . . . . . . 4075 1 280 . 1 1 69 69 THR C C 13 176.4 0.1 . 1 . . . . . . . . 4075 1 281 . 1 1 69 69 THR CA C 13 67.1 0.1 . 1 . . . . . . . . 4075 1 282 . 1 1 69 69 THR N N 15 113.4 0.1 . 1 . . . . . . . . 4075 1 283 . 1 1 70 70 GLU H H 1 7.92 0.01 . 1 . . . . . . . . 4075 1 284 . 1 1 70 70 GLU HA H 1 4.31 0.01 . 1 . . . . . . . . 4075 1 285 . 1 1 70 70 GLU C C 13 178.3 0.1 . 1 . . . . . . . . 4075 1 286 . 1 1 70 70 GLU CA C 13 58.2 0.1 . 1 . . . . . . . . 4075 1 287 . 1 1 70 70 GLU N N 15 123.3 0.1 . 1 . . . . . . . . 4075 1 288 . 1 1 71 71 MET H H 1 8.47 0.01 . 1 . . . . . . . . 4075 1 289 . 1 1 71 71 MET HA H 1 3.57 0.01 . 1 . . . . . . . . 4075 1 290 . 1 1 71 71 MET C C 13 176.7 0.1 . 1 . . . . . . . . 4075 1 291 . 1 1 71 71 MET CA C 13 60.3 0.1 . 1 . . . . . . . . 4075 1 292 . 1 1 71 71 MET N N 15 119.4 0.1 . 1 . . . . . . . . 4075 1 293 . 1 1 72 72 ALA H H 1 7.94 0.01 . 1 . . . . . . . . 4075 1 294 . 1 1 72 72 ALA HA H 1 3.34 0.01 . 1 . . . . . . . . 4075 1 295 . 1 1 72 72 ALA C C 13 180.3 0.1 . 1 . . . . . . . . 4075 1 296 . 1 1 72 72 ALA CA C 13 54.9 0.1 . 1 . . . . . . . . 4075 1 297 . 1 1 72 72 ALA N N 15 119.8 0.1 . 1 . . . . . . . . 4075 1 298 . 1 1 73 73 ARG H H 1 7.71 0.01 . 1 . . . . . . . . 4075 1 299 . 1 1 73 73 ARG HA H 1 3.88 0.01 . 1 . . . . . . . . 4075 1 300 . 1 1 73 73 ARG C C 13 180.2 0.1 . 1 . . . . . . . . 4075 1 301 . 1 1 73 73 ARG CA C 13 59.1 0.1 . 1 . . . . . . . . 4075 1 302 . 1 1 73 73 ARG N N 15 120.2 0.1 . 1 . . . . . . . . 4075 1 303 . 1 1 74 74 LEU H H 1 8.38 0.01 . 1 . . . . . . . . 4075 1 304 . 1 1 74 74 LEU HA H 1 3.75 0.01 . 1 . . . . . . . . 4075 1 305 . 1 1 74 74 LEU C C 13 179.8 0.1 . 1 . . . . . . . . 4075 1 306 . 1 1 74 74 LEU CA C 13 58.00 0.1 . 1 . . . . . . . . 4075 1 307 . 1 1 74 74 LEU N N 15 122.2 0.1 . 1 . . . . . . . . 4075 1 308 . 1 1 75 75 GLN H H 1 8.38 0.01 . 1 . . . . . . . . 4075 1 309 . 1 1 75 75 GLN HA H 1 3.73 0.01 . 1 . . . . . . . . 4075 1 310 . 1 1 75 75 GLN C C 13 180.4 0.1 . 1 . . . . . . . . 4075 1 311 . 1 1 75 75 GLN CA C 13 59.2 0.1 . 1 . . . . . . . . 4075 1 312 . 1 1 75 75 GLN N N 15 120.4 0.1 . 1 . . . . . . . . 4075 1 313 . 1 1 76 76 GLU H H 1 7.89 0.01 . 1 . . . . . . . . 4075 1 314 . 1 1 76 76 GLU HA H 1 3.92 0.01 . 1 . . . . . . . . 4075 1 315 . 1 1 76 76 GLU C C 13 177.6 0.1 . 1 . . . . . . . . 4075 1 316 . 1 1 76 76 GLU CA C 13 58.9 0.1 . 1 . . . . . . . . 4075 1 317 . 1 1 76 76 GLU N N 15 120.6 0.1 . 1 . . . . . . . . 4075 1 318 . 1 1 77 77 SER H H 1 7.41 0.01 . 1 . . . . . . . . 4075 1 319 . 1 1 77 77 SER HA H 1 4.5 0.01 . 1 . . . . . . . . 4075 1 320 . 1 1 77 77 SER C C 13 174.6 0.1 . 1 . . . . . . . . 4075 1 321 . 1 1 77 77 SER CA C 13 58.4 0.1 . 1 . . . . . . . . 4075 1 322 . 1 1 77 77 SER N N 15 111.9 0.1 . 1 . . . . . . . . 4075 1 323 . 1 1 78 78 GLY H H 1 7.77 0.01 . 1 . . . . . . . . 4075 1 324 . 1 1 78 78 GLY HA2 H 1 4.1 0.1 . 2 . . . . . . . . 4075 1 325 . 1 1 78 78 GLY HA3 H 1 3.76 0.1 . 2 . . . . . . . . 4075 1 326 . 1 1 78 78 GLY C C 13 174.6 0.1 . 1 . . . . . . . . 4075 1 327 . 1 1 78 78 GLY CA C 13 45.7 0.1 . 1 . . . . . . . . 4075 1 328 . 1 1 78 78 GLY N N 15 109.9 0.1 . 1 . . . . . . . . 4075 1 329 . 1 1 79 79 SER H H 1 7.84 0.01 . 1 . . . . . . . . 4075 1 330 . 1 1 79 79 SER HA H 1 4.83 0.01 . 1 . . . . . . . . 4075 1 331 . 1 1 79 79 SER CA C 13 56.00 0.1 . 1 . . . . . . . . 4075 1 332 . 1 1 79 79 SER N N 15 117.1 0.1 . 1 . . . . . . . . 4075 1 333 . 1 1 80 80 PRO HA H 1 4.43 0.01 . 1 . . . . . . . . 4075 1 334 . 1 1 80 80 PRO C C 13 174.5 0.1 . 1 . . . . . . . . 4075 1 335 . 1 1 80 80 PRO CA C 13 62.8 0.1 . 1 . . . . . . . . 4075 1 336 . 1 1 81 81 ILE H H 1 7.06 0.01 . 1 . . . . . . . . 4075 1 337 . 1 1 81 81 ILE HA H 1 4.33 0.01 . 1 . . . . . . . . 4075 1 338 . 1 1 81 81 ILE C C 13 173.4 0.1 . 1 . . . . . . . . 4075 1 339 . 1 1 81 81 ILE CA C 13 60.1 0.1 . 1 . . . . . . . . 4075 1 340 . 1 1 81 81 ILE N N 15 108.8 0.1 . 1 . . . . . . . . 4075 1 341 . 1 1 82 82 ASP H H 1 7.4 0.01 . 1 . . . . . . . . 4075 1 342 . 1 1 82 82 ASP HA H 1 4.81 0.01 . 1 . . . . . . . . 4075 1 343 . 1 1 82 82 ASP C C 13 173.6 0.1 . 1 . . . . . . . . 4075 1 344 . 1 1 82 82 ASP CA C 13 52.8 0.1 . 1 . . . . . . . . 4075 1 345 . 1 1 82 82 ASP N N 15 113.9 0.1 . 1 . . . . . . . . 4075 1 346 . 1 1 83 83 LEU H H 1 8.37 0.01 . 1 . . . . . . . . 4075 1 347 . 1 1 83 83 LEU HA H 1 3.94 0.01 . 1 . . . . . . . . 4075 1 348 . 1 1 83 83 LEU C C 13 177.00 0.1 . 1 . . . . . . . . 4075 1 349 . 1 1 83 83 LEU CA C 13 59.2 0.1 . 1 . . . . . . . . 4075 1 350 . 1 1 83 83 LEU N N 15 118.3 0.1 . 1 . . . . . . . . 4075 1 351 . 1 1 84 84 ILE H H 1 7.59 0.01 . 1 . . . . . . . . 4075 1 352 . 1 1 84 84 ILE HA H 1 3.8 0.01 . 1 . . . . . . . . 4075 1 353 . 1 1 84 84 ILE C C 13 178.4 0.1 . 1 . . . . . . . . 4075 1 354 . 1 1 84 84 ILE CA C 13 64.2 0.1 . 1 . . . . . . . . 4075 1 355 . 1 1 84 84 ILE N N 15 115.3 0.1 . 1 . . . . . . . . 4075 1 356 . 1 1 85 85 THR H H 1 7.95 0.01 . 1 . . . . . . . . 4075 1 357 . 1 1 85 85 THR HA H 1 3.76 0.01 . 1 . . . . . . . . 4075 1 358 . 1 1 85 85 THR C C 13 177.9 0.1 . 1 . . . . . . . . 4075 1 359 . 1 1 85 85 THR CA C 13 66.8 0.1 . 1 . . . . . . . . 4075 1 360 . 1 1 85 85 THR N N 15 119.1 0.1 . 1 . . . . . . . . 4075 1 361 . 1 1 86 86 LEU H H 1 8.58 0.01 . 1 . . . . . . . . 4075 1 362 . 1 1 86 86 LEU HA H 1 3.86 0.01 . 1 . . . . . . . . 4075 1 363 . 1 1 86 86 LEU C C 13 178.00 0.1 . 1 . . . . . . . . 4075 1 364 . 1 1 86 86 LEU CA C 13 58.2 0.1 . 1 . . . . . . . . 4075 1 365 . 1 1 86 86 LEU N N 15 122.1 0.1 . 1 . . . . . . . . 4075 1 366 . 1 1 87 87 ALA H H 1 8.59 0.01 . 1 . . . . . . . . 4075 1 367 . 1 1 87 87 ALA HA H 1 3.81 0.01 . 1 . . . . . . . . 4075 1 368 . 1 1 87 87 ALA C C 13 179.8 0.1 . 1 . . . . . . . . 4075 1 369 . 1 1 87 87 ALA CA C 13 55.8 0.1 . 1 . . . . . . . . 4075 1 370 . 1 1 87 87 ALA N N 15 120.2 0.1 . 1 . . . . . . . . 4075 1 371 . 1 1 88 88 GLU H H 1 8.45 0.01 . 1 . . . . . . . . 4075 1 372 . 1 1 88 88 GLU HA H 1 4.01 0.01 . 1 . . . . . . . . 4075 1 373 . 1 1 88 88 GLU C C 13 179.1 0.1 . 1 . . . . . . . . 4075 1 374 . 1 1 88 88 GLU CA C 13 60.1 0.1 . 1 . . . . . . . . 4075 1 375 . 1 1 88 88 GLU N N 15 116.7 0.1 . 1 . . . . . . . . 4075 1 376 . 1 1 89 89 SER H H 1 8.02 0.01 . 1 . . . . . . . . 4075 1 377 . 1 1 89 89 SER HA H 1 4.12 0.01 . 1 . . . . . . . . 4075 1 378 . 1 1 89 89 SER C C 13 179.00 0.1 . 1 . . . . . . . . 4075 1 379 . 1 1 89 89 SER CA C 13 61.3 0.1 . 1 . . . . . . . . 4075 1 380 . 1 1 89 89 SER N N 15 114.2 0.1 . 1 . . . . . . . . 4075 1 381 . 1 1 90 90 LEU H H 1 8.4 0.01 . 1 . . . . . . . . 4075 1 382 . 1 1 90 90 LEU HA H 1 3.89 0.01 . 1 . . . . . . . . 4075 1 383 . 1 1 90 90 LEU C C 13 179.6 0.1 . 1 . . . . . . . . 4075 1 384 . 1 1 90 90 LEU CA C 13 58.1 0.1 . 1 . . . . . . . . 4075 1 385 . 1 1 90 90 LEU N N 15 118.4 0.1 . 1 . . . . . . . . 4075 1 386 . 1 1 91 91 GLU H H 1 8.84 0.01 . 1 . . . . . . . . 4075 1 387 . 1 1 91 91 GLU HA H 1 4.14 0.01 . 1 . . . . . . . . 4075 1 388 . 1 1 91 91 GLU C C 13 180.6 0.1 . 1 . . . . . . . . 4075 1 389 . 1 1 91 91 GLU CA C 13 59.9 0.1 . 1 . . . . . . . . 4075 1 390 . 1 1 91 91 GLU N N 15 122.2 0.1 . 1 . . . . . . . . 4075 1 391 . 1 1 92 92 ARG H H 1 8.42 0.01 . 1 . . . . . . . . 4075 1 392 . 1 1 92 92 ARG HA H 1 4.13 0.01 . 1 . . . . . . . . 4075 1 393 . 1 1 92 92 ARG C C 13 178.3 0.1 . 1 . . . . . . . . 4075 1 394 . 1 1 92 92 ARG CA C 13 59.4 0.1 . 1 . . . . . . . . 4075 1 395 . 1 1 92 92 ARG N N 15 121.5 0.1 . 1 . . . . . . . . 4075 1 396 . 1 1 93 93 GLN H H 1 7.33 0.01 . 1 . . . . . . . . 4075 1 397 . 1 1 93 93 GLN HA H 1 4.38 0.01 . 1 . . . . . . . . 4075 1 398 . 1 1 93 93 GLN C C 13 176.3 0.1 . 1 . . . . . . . . 4075 1 399 . 1 1 93 93 GLN CA C 13 55.7 0.1 . 1 . . . . . . . . 4075 1 400 . 1 1 93 93 GLN N N 15 114.2 0.1 . 1 . . . . . . . . 4075 1 401 . 1 1 94 94 GLY H H 1 8.16 0.01 . 1 . . . . . . . . 4075 1 402 . 1 1 94 94 GLY HA2 H 1 4.08 0.1 . 2 . . . . . . . . 4075 1 403 . 1 1 94 94 GLY C C 13 176.2 0.1 . 1 . . . . . . . . 4075 1 404 . 1 1 94 94 GLY CA C 13 46.5 0.1 . 1 . . . . . . . . 4075 1 405 . 1 1 94 94 GLY N N 15 109.5 0.1 . 1 . . . . . . . . 4075 1 406 . 1 1 95 95 GLN H H 1 8.18 0.01 . 1 . . . . . . . . 4075 1 407 . 1 1 95 95 GLN HA H 1 4.63 0.01 . 1 . . . . . . . . 4075 1 408 . 1 1 95 95 GLN C C 13 176.4 0.1 . 1 . . . . . . . . 4075 1 409 . 1 1 95 95 GLN CA C 13 55.00 0.1 . 1 . . . . . . . . 4075 1 410 . 1 1 95 95 GLN N N 15 115.2 0.1 . 1 . . . . . . . . 4075 1 411 . 1 1 96 96 LEU H H 1 7.74 0.01 . 1 . . . . . . . . 4075 1 412 . 1 1 96 96 LEU HA H 1 3.98 0.01 . 1 . . . . . . . . 4075 1 413 . 1 1 96 96 LEU C C 13 178.9 0.1 . 1 . . . . . . . . 4075 1 414 . 1 1 96 96 LEU CA C 13 58.2 0.1 . 1 . . . . . . . . 4075 1 415 . 1 1 96 96 LEU N N 15 122.9 0.1 . 1 . . . . . . . . 4075 1 416 . 1 1 97 97 ASP H H 1 8.54 0.01 . 1 . . . . . . . . 4075 1 417 . 1 1 97 97 ASP HA H 1 4.29 0.01 . 1 . . . . . . . . 4075 1 418 . 1 1 97 97 ASP C C 13 179.8 0.1 . 1 . . . . . . . . 4075 1 419 . 1 1 97 97 ASP CA C 13 57.6 0.1 . 1 . . . . . . . . 4075 1 420 . 1 1 97 97 ASP N N 15 118.7 0.1 . 1 . . . . . . . . 4075 1 421 . 1 1 98 98 SER H H 1 7.82 0.01 . 1 . . . . . . . . 4075 1 422 . 1 1 98 98 SER HA H 1 4.23 0.01 . 1 . . . . . . . . 4075 1 423 . 1 1 98 98 SER C C 13 175.8 0.1 . 1 . . . . . . . . 4075 1 424 . 1 1 98 98 SER CA C 13 61.00 0.1 . 1 . . . . . . . . 4075 1 425 . 1 1 98 98 SER N N 15 115.2 0.1 . 1 . . . . . . . . 4075 1 426 . 1 1 99 99 VAL H H 1 7.11 0.01 . 1 . . . . . . . . 4075 1 427 . 1 1 99 99 VAL HA H 1 4.47 0.01 . 1 . . . . . . . . 4075 1 428 . 1 1 99 99 VAL C C 13 173.6 0.1 . 1 . . . . . . . . 4075 1 429 . 1 1 99 99 VAL CA C 13 60.4 0.1 . 1 . . . . . . . . 4075 1 430 . 1 1 99 99 VAL N N 15 111.2 0.1 . 1 . . . . . . . . 4075 1 431 . 1 1 100 100 GLY H H 1 7.39 0.01 . 1 . . . . . . . . 4075 1 432 . 1 1 100 100 GLY HA2 H 1 4.35 0.1 . 2 . . . . . . . . 4075 1 433 . 1 1 100 100 GLY HA3 H 1 3.55 0.1 . 2 . . . . . . . . 4075 1 434 . 1 1 100 100 GLY C C 13 175.4 0.1 . 1 . . . . . . . . 4075 1 435 . 1 1 100 100 GLY CA C 13 44.4 0.1 . 1 . . . . . . . . 4075 1 436 . 1 1 100 100 GLY N N 15 104.9 0.1 . 1 . . . . . . . . 4075 1 437 . 1 1 101 101 GLY H H 1 7.92 0.01 . 1 . . . . . . . . 4075 1 438 . 1 1 101 101 GLY HA2 H 1 3.68 0.01 . 2 . . . . . . . . 4075 1 439 . 1 1 101 101 GLY C C 13 172.9 0.1 . 1 . . . . . . . . 4075 1 440 . 1 1 101 101 GLY CA C 13 44.2 0.1 . 1 . . . . . . . . 4075 1 441 . 1 1 101 101 GLY N N 15 107.4 0.1 . 1 . . . . . . . . 4075 1 442 . 1 1 103 103 ALA HA H 1 3.94 0.01 . 1 . . . . . . . . 4075 1 443 . 1 1 103 103 ALA C C 13 180.2 0.1 . 1 . . . . . . . . 4075 1 444 . 1 1 103 103 ALA CA C 13 55.2 0.1 . 1 . . . . . . . . 4075 1 445 . 1 1 104 104 TYR H H 1 7.13 0.01 . 1 . . . . . . . . 4075 1 446 . 1 1 104 104 TYR HA H 1 4.36 0.01 . 1 . . . . . . . . 4075 1 447 . 1 1 104 104 TYR C C 13 177.2 0.1 . 1 . . . . . . . . 4075 1 448 . 1 1 104 104 TYR CA C 13 61.4 0.1 . 1 . . . . . . . . 4075 1 449 . 1 1 104 104 TYR N N 15 117.3 0.1 . 1 . . . . . . . . 4075 1 450 . 1 1 105 105 LEU H H 1 7.02 0.01 . 1 . . . . . . . . 4075 1 451 . 1 1 105 105 LEU HA H 1 3.56 0.01 . 1 . . . . . . . . 4075 1 452 . 1 1 105 105 LEU C C 13 178.6 0.1 . 1 . . . . . . . . 4075 1 453 . 1 1 105 105 LEU CA C 13 57.9 0.1 . 1 . . . . . . . . 4075 1 454 . 1 1 105 105 LEU N N 15 116.6 0.1 . 1 . . . . . . . . 4075 1 455 . 1 1 106 106 ALA H H 1 8.43 0.01 . 1 . . . . . . . . 4075 1 456 . 1 1 106 106 ALA HA H 1 3.67 0.01 . 1 . . . . . . . . 4075 1 457 . 1 1 106 106 ALA C C 13 180.7 0.1 . 1 . . . . . . . . 4075 1 458 . 1 1 106 106 ALA CA C 13 54.5 0.1 . 1 . . . . . . . . 4075 1 459 . 1 1 106 106 ALA N N 15 119.1 0.1 . 1 . . . . . . . . 4075 1 460 . 1 1 107 107 GLU H H 1 7.68 0.01 . 1 . . . . . . . . 4075 1 461 . 1 1 107 107 GLU HA H 1 3.82 0.01 . 1 . . . . . . . . 4075 1 462 . 1 1 107 107 GLU C C 13 179.1 0.1 . 1 . . . . . . . . 4075 1 463 . 1 1 107 107 GLU CA C 13 59.4 0.1 . 1 . . . . . . . . 4075 1 464 . 1 1 107 107 GLU N N 15 121.00 0.1 . 1 . . . . . . . . 4075 1 465 . 1 1 108 108 LEU H H 1 7.77 0.01 . 1 . . . . . . . . 4075 1 466 . 1 1 108 108 LEU HA H 1 3.69 0.01 . 1 . . . . . . . . 4075 1 467 . 1 1 108 108 LEU C C 13 179.4 0.1 . 1 . . . . . . . . 4075 1 468 . 1 1 108 108 LEU CA C 13 57.7 0.1 . 1 . . . . . . . . 4075 1 469 . 1 1 108 108 LEU N N 15 118.6 0.1 . 1 . . . . . . . . 4075 1 470 . 1 1 109 109 SER H H 1 7.53 0.01 . 1 . . . . . . . . 4075 1 471 . 1 1 109 109 SER HA H 1 4.18 0.01 . 1 . . . . . . . . 4075 1 472 . 1 1 109 109 SER C C 13 175.4 0.1 . 1 . . . . . . . . 4075 1 473 . 1 1 109 109 SER CA C 13 60.5 0.1 . 1 . . . . . . . . 4075 1 474 . 1 1 109 109 SER N N 15 111.7 0.1 . 1 . . . . . . . . 4075 1 475 . 1 1 110 110 LYS H H 1 7.66 0.01 . 1 . . . . . . . . 4075 1 476 . 1 1 110 110 LYS HA H 1 4.11 0.01 . 1 . . . . . . . . 4075 1 477 . 1 1 110 110 LYS C C 13 177.6 0.1 . 1 . . . . . . . . 4075 1 478 . 1 1 110 110 LYS CA C 13 57.9 0.1 . 1 . . . . . . . . 4075 1 479 . 1 1 110 110 LYS N N 15 120.2 0.1 . 1 . . . . . . . . 4075 1 480 . 1 1 111 111 ASN H H 1 7.75 0.01 . 1 . . . . . . . . 4075 1 481 . 1 1 111 111 ASN HA H 1 4.66 0.01 . 1 . . . . . . . . 4075 1 482 . 1 1 111 111 ASN C C 13 174.2 0.1 . 1 . . . . . . . . 4075 1 483 . 1 1 111 111 ASN CA C 13 53.4 0.1 . 1 . . . . . . . . 4075 1 484 . 1 1 111 111 ASN N N 15 116.5 0.1 . 1 . . . . . . . . 4075 1 485 . 1 1 112 112 THR H H 1 7.48 0.01 . 1 . . . . . . . . 4075 1 486 . 1 1 112 112 THR HA H 1 4.55 0.01 . 1 . . . . . . . . 4075 1 487 . 1 1 112 112 THR C C 13 172.8 0.1 . 1 . . . . . . . . 4075 1 488 . 1 1 112 112 THR CA C 13 59.5 0.1 . 1 . . . . . . . . 4075 1 489 . 1 1 112 112 THR N N 15 114.6 0.1 . 1 . . . . . . . . 4075 1 490 . 1 1 113 113 PRO HA H 1 4.53 0.01 . 1 . . . . . . . . 4075 1 491 . 1 1 113 113 PRO C C 13 176.6 0.1 . 1 . . . . . . . . 4075 1 492 . 1 1 113 113 PRO CA C 13 63.1 0.1 . 1 . . . . . . . . 4075 1 493 . 1 1 114 114 SER H H 1 7.97 0.01 . 1 . . . . . . . . 4075 1 494 . 1 1 114 114 SER HA H 1 4.42 0.01 . 1 . . . . . . . . 4075 1 495 . 1 1 114 114 SER C C 13 174.4 0.1 . 1 . . . . . . . . 4075 1 496 . 1 1 114 114 SER CA C 13 57.8 0.1 . 1 . . . . . . . . 4075 1 497 . 1 1 114 114 SER N N 15 113.2 0.1 . 1 . . . . . . . . 4075 1 498 . 1 1 115 115 ALA H H 1 8.81 0.01 . 1 . . . . . . . . 4075 1 499 . 1 1 115 115 ALA HA H 1 4.4 0.01 . 1 . . . . . . . . 4075 1 500 . 1 1 115 115 ALA C C 13 178.00 0.1 . 1 . . . . . . . . 4075 1 501 . 1 1 115 115 ALA CA C 13 53.00 0.1 . 1 . . . . . . . . 4075 1 502 . 1 1 115 115 ALA N N 15 125.4 0.1 . 1 . . . . . . . . 4075 1 503 . 1 1 116 116 ALA H H 1 8.1 0.01 . 1 . . . . . . . . 4075 1 504 . 1 1 116 116 ALA HA H 1 4.12 0.01 . 1 . . . . . . . . 4075 1 505 . 1 1 116 116 ALA C C 13 178.8 0.1 . 1 . . . . . . . . 4075 1 506 . 1 1 116 116 ALA CA C 13 54.2 0.1 . 1 . . . . . . . . 4075 1 507 . 1 1 116 116 ALA N N 15 120.4 0.1 . 1 . . . . . . . . 4075 1 508 . 1 1 117 117 ASN H H 1 8.26 0.01 . 1 . . . . . . . . 4075 1 509 . 1 1 117 117 ASN HA H 1 4.8 0.01 . 1 . . . . . . . . 4075 1 510 . 1 1 117 117 ASN C C 13 176.2 0.1 . 1 . . . . . . . . 4075 1 511 . 1 1 117 117 ASN CA C 13 52.9 0.1 . 1 . . . . . . . . 4075 1 512 . 1 1 117 117 ASN N N 15 116.1 0.1 . 1 . . . . . . . . 4075 1 513 . 1 1 118 118 ILE H H 1 8.00 0.01 . 1 . . . . . . . . 4075 1 514 . 1 1 118 118 ILE HA H 1 3.91 0.01 . 1 . . . . . . . . 4075 1 515 . 1 1 118 118 ILE C C 13 176.9 0.1 . 1 . . . . . . . . 4075 1 516 . 1 1 118 118 ILE CA C 13 66.1 0.1 . 1 . . . . . . . . 4075 1 517 . 1 1 118 118 ILE N N 15 121.00 0.1 . 1 . . . . . . . . 4075 1 518 . 1 1 119 119 SER H H 1 8.13 0.01 . 1 . . . . . . . . 4075 1 519 . 1 1 119 119 SER HA H 1 3.81 0.01 . 1 . . . . . . . . 4075 1 520 . 1 1 119 119 SER C C 13 174.9 0.1 . 1 . . . . . . . . 4075 1 521 . 1 1 119 119 SER CA C 13 62.5 0.1 . 1 . . . . . . . . 4075 1 522 . 1 1 119 119 SER N N 15 117.2 0.1 . 1 . . . . . . . . 4075 1 523 . 1 1 120 120 ALA H H 1 7.21 0.01 . 1 . . . . . . . . 4075 1 524 . 1 1 120 120 ALA HA H 1 4.12 0.01 . 1 . . . . . . . . 4075 1 525 . 1 1 120 120 ALA C C 13 181.5 0.1 . 1 . . . . . . . . 4075 1 526 . 1 1 120 120 ALA CA C 13 54.5 0.1 . 1 . . . . . . . . 4075 1 527 . 1 1 120 120 ALA N N 15 123.1 0.1 . 1 . . . . . . . . 4075 1 528 . 1 1 121 121 TYR H H 1 7.71 0.01 . 1 . . . . . . . . 4075 1 529 . 1 1 121 121 TYR HA H 1 4.4 0.01 . 1 . . . . . . . . 4075 1 530 . 1 1 121 121 TYR C C 13 177.8 0.1 . 1 . . . . . . . . 4075 1 531 . 1 1 121 121 TYR CA C 13 60.8 0.1 . 1 . . . . . . . . 4075 1 532 . 1 1 121 121 TYR N N 15 116.8 0.1 . 1 . . . . . . . . 4075 1 533 . 1 1 122 122 ALA H H 1 8.3 0.01 . 1 . . . . . . . . 4075 1 534 . 1 1 122 122 ALA HA H 1 3.73 0.01 . 1 . . . . . . . . 4075 1 535 . 1 1 122 122 ALA C C 13 177.9 0.1 . 1 . . . . . . . . 4075 1 536 . 1 1 122 122 ALA CA C 13 55.7 0.1 . 1 . . . . . . . . 4075 1 537 . 1 1 122 122 ALA N N 15 122.9 0.1 . 1 . . . . . . . . 4075 1 538 . 1 1 123 123 ASP H H 1 8.01 0.01 . 1 . . . . . . . . 4075 1 539 . 1 1 123 123 ASP HA H 1 4.37 0.01 . 1 . . . . . . . . 4075 1 540 . 1 1 123 123 ASP C C 13 179.1 0.1 . 1 . . . . . . . . 4075 1 541 . 1 1 123 123 ASP CA C 13 57.5 0.1 . 1 . . . . . . . . 4075 1 542 . 1 1 123 123 ASP N N 15 117.2 0.1 . 1 . . . . . . . . 4075 1 543 . 1 1 124 124 ILE H H 1 7.42 0.01 . 1 . . . . . . . . 4075 1 544 . 1 1 124 124 ILE HA H 1 3.76 0.01 . 1 . . . . . . . . 4075 1 545 . 1 1 124 124 ILE C C 13 177.4 0.1 . 1 . . . . . . . . 4075 1 546 . 1 1 124 124 ILE CA C 13 65.3 0.1 . 1 . . . . . . . . 4075 1 547 . 1 1 124 124 ILE N N 15 121.1 0.1 . 1 . . . . . . . . 4075 1 548 . 1 1 125 125 VAL H H 1 7.75 0.01 . 1 . . . . . . . . 4075 1 549 . 1 1 125 125 VAL HA H 1 3.37 0.01 . 1 . . . . . . . . 4075 1 550 . 1 1 125 125 VAL C C 13 179.7 0.1 . 1 . . . . . . . . 4075 1 551 . 1 1 125 125 VAL CA C 13 67.00 0.1 . 1 . . . . . . . . 4075 1 552 . 1 1 125 125 VAL N N 15 120.3 0.1 . 1 . . . . . . . . 4075 1 553 . 1 1 126 126 ARG H H 1 8.06 0.01 . 1 . . . . . . . . 4075 1 554 . 1 1 126 126 ARG HA H 1 3.82 0.01 . 1 . . . . . . . . 4075 1 555 . 1 1 126 126 ARG C C 13 177.4 0.1 . 1 . . . . . . . . 4075 1 556 . 1 1 126 126 ARG CA C 13 59.4 0.1 . 1 . . . . . . . . 4075 1 557 . 1 1 126 126 ARG N N 15 120.9 0.1 . 1 . . . . . . . . 4075 1 558 . 1 1 127 127 GLU H H 1 8.53 0.01 . 1 . . . . . . . . 4075 1 559 . 1 1 127 127 GLU HA H 1 3.92 0.01 . 1 . . . . . . . . 4075 1 560 . 1 1 127 127 GLU C C 13 180.00 0.1 . 1 . . . . . . . . 4075 1 561 . 1 1 127 127 GLU CA C 13 59.8 0.1 . 1 . . . . . . . . 4075 1 562 . 1 1 127 127 GLU N N 15 119.6 0.1 . 1 . . . . . . . . 4075 1 563 . 1 1 128 128 ARG H H 1 8.62 0.01 . 1 . . . . . . . . 4075 1 564 . 1 1 128 128 ARG HA H 1 3.99 0.01 . 1 . . . . . . . . 4075 1 565 . 1 1 128 128 ARG C C 13 177.5 0.1 . 1 . . . . . . . . 4075 1 566 . 1 1 128 128 ARG CA C 13 57.7 0.1 . 1 . . . . . . . . 4075 1 567 . 1 1 128 128 ARG N N 15 115.9 0.1 . 1 . . . . . . . . 4075 1 568 . 1 1 129 129 ALA H H 1 7.6 0.01 . 1 . . . . . . . . 4075 1 569 . 1 1 129 129 ALA HA H 1 3.98 0.01 . 1 . . . . . . . . 4075 1 570 . 1 1 129 129 ALA C C 13 180.4 0.1 . 1 . . . . . . . . 4075 1 571 . 1 1 129 129 ALA CA C 13 55.4 0.1 . 1 . . . . . . . . 4075 1 572 . 1 1 129 129 ALA N N 15 121.8 0.1 . 1 . . . . . . . . 4075 1 573 . 1 1 130 130 VAL H H 1 8.08 0.01 . 1 . . . . . . . . 4075 1 574 . 1 1 130 130 VAL HA H 1 3.67 0.01 . 1 . . . . . . . . 4075 1 575 . 1 1 130 130 VAL C C 13 179.00 0.1 . 1 . . . . . . . . 4075 1 576 . 1 1 130 130 VAL CA C 13 66.3 0.1 . 1 . . . . . . . . 4075 1 577 . 1 1 130 130 VAL N N 15 120.2 0.1 . 1 . . . . . . . . 4075 1 578 . 1 1 131 131 VAL H H 1 7.57 0.01 . 1 . . . . . . . . 4075 1 579 . 1 1 131 131 VAL HA H 1 3.75 0.01 . 1 . . . . . . . . 4075 1 580 . 1 1 131 131 VAL C C 13 178.3 0.1 . 1 . . . . . . . . 4075 1 581 . 1 1 131 131 VAL CA C 13 66.1 0.1 . 1 . . . . . . . . 4075 1 582 . 1 1 131 131 VAL N N 15 119.1 0.1 . 1 . . . . . . . . 4075 1 583 . 1 1 132 132 ARG H H 1 8.29 0.01 . 1 . . . . . . . . 4075 1 584 . 1 1 132 132 ARG HA H 1 3.97 0.01 . 1 . . . . . . . . 4075 1 585 . 1 1 132 132 ARG C C 13 178.5 0.1 . 1 . . . . . . . . 4075 1 586 . 1 1 132 132 ARG CA C 13 60.3 0.1 . 1 . . . . . . . . 4075 1 587 . 1 1 132 132 ARG N N 15 119.5 0.1 . 1 . . . . . . . . 4075 1 588 . 1 1 133 133 GLU H H 1 7.97 0.01 . 1 . . . . . . . . 4075 1 589 . 1 1 133 133 GLU HA H 1 4.18 0.01 . 1 . . . . . . . . 4075 1 590 . 1 1 133 133 GLU C C 13 178.00 0.1 . 1 . . . . . . . . 4075 1 591 . 1 1 133 133 GLU CA C 13 58.3 0.1 . 1 . . . . . . . . 4075 1 592 . 1 1 133 133 GLU N N 15 118.5 0.1 . 1 . . . . . . . . 4075 1 593 . 1 1 134 134 MET H H 1 7.89 0.01 . 1 . . . . . . . . 4075 1 594 . 1 1 134 134 MET HA H 1 4.29 0.01 . 1 . . . . . . . . 4075 1 595 . 1 1 134 134 MET C C 13 177.9 0.1 . 1 . . . . . . . . 4075 1 596 . 1 1 134 134 MET CA C 13 57.7 0.1 . 1 . . . . . . . . 4075 1 597 . 1 1 134 134 MET N N 15 118.5 0.1 . 1 . . . . . . . . 4075 1 598 . 1 1 135 135 ILE H H 1 7.97 0.01 . 1 . . . . . . . . 4075 1 599 . 1 1 135 135 ILE HA H 1 4.12 0.01 . 1 . . . . . . . . 4075 1 600 . 1 1 135 135 ILE C C 13 176.9 0.1 . 1 . . . . . . . . 4075 1 601 . 1 1 135 135 ILE CA C 13 62.6 0.1 . 1 . . . . . . . . 4075 1 602 . 1 1 135 135 ILE N N 15 118.3 0.1 . 1 . . . . . . . . 4075 1 603 . 1 1 136 136 SER H H 1 7.97 0.01 . 1 . . . . . . . . 4075 1 604 . 1 1 136 136 SER HA H 1 4.41 0.01 . 1 . . . . . . . . 4075 1 605 . 1 1 136 136 SER C C 13 175.2 0.1 . 1 . . . . . . . . 4075 1 606 . 1 1 136 136 SER CA C 13 59.4 0.1 . 1 . . . . . . . . 4075 1 607 . 1 1 136 136 SER N N 15 117.6 0.1 . 1 . . . . . . . . 4075 1 608 . 1 1 137 137 VAL H H 1 7.94 0.01 . 1 . . . . . . . . 4075 1 609 . 1 1 137 137 VAL HA H 1 4.13 0.01 . 1 . . . . . . . . 4075 1 610 . 1 1 137 137 VAL C C 13 176.3 0.1 . 1 . . . . . . . . 4075 1 611 . 1 1 137 137 VAL CA C 13 62.7 0.1 . 1 . . . . . . . . 4075 1 612 . 1 1 137 137 VAL N N 15 120.3 0.1 . 1 . . . . . . . . 4075 1 613 . 1 1 138 138 ALA H H 1 8.07 0.01 . 1 . . . . . . . . 4075 1 614 . 1 1 138 138 ALA HA H 1 4.3 0.01 . 1 . . . . . . . . 4075 1 615 . 1 1 138 138 ALA C C 13 177.6 0.1 . 1 . . . . . . . . 4075 1 616 . 1 1 138 138 ALA CA C 13 52.8 0.1 . 1 . . . . . . . . 4075 1 617 . 1 1 138 138 ALA N N 15 125.8 0.1 . 1 . . . . . . . . 4075 1 618 . 1 1 139 139 ASN H H 1 8.18 0.01 . 1 . . . . . . . . 4075 1 619 . 1 1 139 139 ASN HA H 1 4.68 0.01 . 1 . . . . . . . . 4075 1 620 . 1 1 139 139 ASN C C 13 175.1 0.1 . 1 . . . . . . . . 4075 1 621 . 1 1 139 139 ASN CA C 13 53.4 0.1 . 1 . . . . . . . . 4075 1 622 . 1 1 139 139 ASN N N 15 117.2 0.1 . 1 . . . . . . . . 4075 1 623 . 1 1 140 140 GLU H H 1 8.15 0.01 . 1 . . . . . . . . 4075 1 624 . 1 1 140 140 GLU HA H 1 4.28 0.01 . 1 . . . . . . . . 4075 1 625 . 1 1 140 140 GLU C C 13 176.2 0.1 . 1 . . . . . . . . 4075 1 626 . 1 1 140 140 GLU CA C 13 56.7 0.1 . 1 . . . . . . . . 4075 1 627 . 1 1 140 140 GLU N N 15 120.7 0.1 . 1 . . . . . . . . 4075 1 628 . 1 1 141 141 ILE H H 1 8.05 0.01 . 1 . . . . . . . . 4075 1 629 . 1 1 141 141 ILE HA H 1 4.16 0.01 . 1 . . . . . . . . 4075 1 630 . 1 1 141 141 ILE C C 13 174.9 0.1 . 1 . . . . . . . . 4075 1 631 . 1 1 141 141 ILE CA C 13 61.1 0.1 . 1 . . . . . . . . 4075 1 632 . 1 1 141 141 ILE N N 15 121.5 0.1 . 1 . . . . . . . . 4075 1 633 . 1 1 142 142 ALA H H 1 7.84 0.01 . 1 . . . . . . . . 4075 1 634 . 1 1 142 142 ALA HA H 1 4.13 0.01 . 1 . . . . . . . . 4075 1 635 . 1 1 142 142 ALA CA C 13 53.8 0.1 . 1 . . . . . . . . 4075 1 636 . 1 1 142 142 ALA N N 15 133.6 0.1 . 1 . . . . . . . . 4075 1 stop_ save_