data_19134 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19134 _Entry.Title ; Backbone assignments of 8M urea-denatured YbeA from Escherichia coli ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-04-02 _Entry.Accession_date 2013-04-02 _Entry.Last_release_date 2014-09-26 _Entry.Original_release_date 2014-09-26 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Characterisation of knotted proteins in chemically denatured states' _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 'Shu-Ju Micky' Hsieh . . . 19134 2 'Shang-Te Danny' Hsu . . . 19134 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19134 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 422 19134 '15N chemical shifts' 135 19134 '1H chemical shifts' 135 19134 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 . . 2014-09-26 2013-04-02 original author . 19134 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1ns5 . 19134 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19134 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1007/s12104-013-9501-7 _Citation.PubMed_ID 23821130 _Citation.Full_citation . _Citation.Title 'Backbone NMR assignments of a topologically knotted protein in urea-denatured state.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 8 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 283 _Citation.Page_last 285 _Citation.Year 2014 _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 'Shu-Ju Micky' Hsieh S. J. . 19134 1 2 Anna Mallam A. L. . 19134 1 3 Sophie Jackson S. E. . 19134 1 4 'Shang-Te Danny' Hsu S. T. . 19134 1 stop_ save_ save_entry_citation_2 _Citation.Sf_category citations _Citation.Sf_framecode entry_citation_2 _Citation.Entry_ID 19134 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Experimental detection of knotted conformations in denatured proteins.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full . _Citation.Journal_volume 107 _Citation.Journal_issue 18 _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 8189 _Citation.Page_last 8194 _Citation.Year 2010 _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 AL Mallam . . . 19134 2 2 JM Rogers . . . 19134 2 3 SE Jackson . . . 19134 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19134 _Assembly.ID 1 _Assembly.Name YbeA _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 . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 YbeA 1 $YbeA A . yes denatured no no . . . 19134 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_YbeA _Entity.Sf_category entity _Entity.Sf_framecode YbeA _Entity.Entry_ID 19134 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name YbeA _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 ; MKLQLVAVGTKMPDWVQTGF TEYLRRFPKDMPFELIEIPA GKRGKNADIKRILDKEGEQM LAAAGKNRIVTLDIPGKPWD TPQLAAELERWKLDGRDVSL LIGGPEGLSPACKAAAEQSW SLSALTLPHPLVRVLVAESL YRAWSITTNHPYHRE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 155 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 PDB 1NS5 . "X-Ray Structure Of Ybea From E.Coli. Northeast Structural Genomics Research Consortium (Nesg) Target Er45" . . . . . 99.35 155 98.05 98.05 3.33e-104 . . . . 19134 1 2 no DBJ BAA35283 . "conserved hypothetical protein [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 155 100.00 100.00 4.00e-108 . . . . 19134 1 3 no DBJ BAB34097 . "hypothetical protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 155 100.00 100.00 4.00e-108 . . . . 19134 1 4 no DBJ BAG76228 . "conserved hypothetical protein [Escherichia coli SE11]" . . . . . 100.00 155 100.00 100.00 4.00e-108 . . . . 19134 1 5 no DBJ BAI24039 . "conserved predicted protein [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 155 100.00 100.00 4.00e-108 . . . . 19134 1 6 no DBJ BAI29506 . "conserved predicted protein [Escherichia coli O103:H2 str. 12009]" . . . . . 100.00 155 99.35 99.35 1.58e-107 . . . . 19134 1 7 no EMBL CAA28200 . "unnamed protein product [Escherichia coli K-12]" . . . . . 100.00 155 100.00 100.00 4.00e-108 . . . . 19134 1 8 no EMBL CAD05118 . "conserved hypothetical protein [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 155 98.71 98.71 1.85e-106 . . . . 19134 1 9 no EMBL CAP75135 . "UPF0247 protein ybeA [Escherichia coli LF82]" . . . . . 100.00 155 100.00 100.00 4.00e-108 . . . . 19134 1 10 no EMBL CAQ31111 . "23S rRNA m[3]Psi1915 methyltransferase [Escherichia coli BL21(DE3)]" . . . . . 100.00 155 100.00 100.00 4.00e-108 . . . . 19134 1 11 no EMBL CAQ89966 . "conserved hypothetical protein [Escherichia fergusonii ATCC 35469]" . . . . . 100.00 155 97.42 99.35 9.54e-106 . . . . 19134 1 12 no GB AAB40836 . "hypothetical protein [Escherichia coli]" . . . . . 100.00 155 100.00 100.00 4.00e-108 . . . . 19134 1 13 no GB AAC73737 . "23S rRNA m(3)Psi1915 pseudouridine methyltransferase, SAM-dependent [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 155 100.00 100.00 4.00e-108 . . . . 19134 1 14 no GB AAG54970 . "orf, hypothetical protein [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 155 100.00 100.00 4.00e-108 . . . . 19134 1 15 no GB AAL19592 . "putative cytoplasmic protein [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 100.00 155 98.71 98.71 1.85e-106 . . . . 19134 1 16 no GB AAN42281 . "conserved hypothetical protein [Shigella flexneri 2a str. 301]" . . . . . 100.00 155 100.00 100.00 4.00e-108 . . . . 19134 1 17 no PIR AD0581 . "conserved hypothetical protein STY0692 [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" . . . . . 100.00 155 98.71 98.71 1.85e-106 . . . . 19134 1 18 no REF NP_308701 . "rRNA large subunit methyltransferase [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 155 100.00 100.00 4.00e-108 . . . . 19134 1 19 no REF NP_415169 . "23S rRNA m(3)Psi1915 pseudouridine methyltransferase, SAM-dependent [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 155 100.00 100.00 4.00e-108 . . . . 19134 1 20 no REF NP_455217 . "rRNA large subunit m3Psi methyltransferase RlmH [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 155 98.71 98.71 1.85e-106 . . . . 19134 1 21 no REF NP_459633 . "rRNA large subunit methyltransferase H [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 100.00 155 98.71 98.71 1.85e-106 . . . . 19134 1 22 no REF NP_706574 . "rRNA large subunit methyltransferase [Shigella flexneri 2a str. 301]" . . . . . 100.00 155 100.00 100.00 4.00e-108 . . . . 19134 1 23 no SP A1A8R1 . "RecName: Full=Ribosomal RNA large subunit methyltransferase H; AltName: Full=23S rRNA (pseudouridine1915-N3)-methyltransferase;" . . . . . 100.00 155 100.00 100.00 4.00e-108 . . . . 19134 1 24 no SP A4W822 . "RecName: Full=Ribosomal RNA large subunit methyltransferase H; AltName: Full=23S rRNA (pseudouridine1915-N3)-methyltransferase;" . . . . . 100.00 155 97.42 98.06 4.13e-105 . . . . 19134 1 25 no SP A7ZJ25 . "RecName: Full=Ribosomal RNA large subunit methyltransferase H; AltName: Full=23S rRNA (pseudouridine1915-N3)-methyltransferase;" . . . . . 100.00 155 100.00 100.00 4.00e-108 . . . . 19134 1 26 no SP A7ZXR2 . "RecName: Full=Ribosomal RNA large subunit methyltransferase H; AltName: Full=23S rRNA (pseudouridine1915-N3)-methyltransferase;" . . . . . 100.00 155 100.00 100.00 4.00e-108 . . . . 19134 1 27 no SP A8AJG7 . "RecName: Full=Ribosomal RNA large subunit methyltransferase H; AltName: Full=23S rRNA (pseudouridine1915-N3)-methyltransferase;" . . . . . 100.00 155 99.35 99.35 1.58e-107 . . . . 19134 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 . 19134 1 2 . LYS . 19134 1 3 . LEU . 19134 1 4 . GLN . 19134 1 5 . LEU . 19134 1 6 . VAL . 19134 1 7 . ALA . 19134 1 8 . VAL . 19134 1 9 . GLY . 19134 1 10 . THR . 19134 1 11 . LYS . 19134 1 12 . MET . 19134 1 13 . PRO . 19134 1 14 . ASP . 19134 1 15 . TRP . 19134 1 16 . VAL . 19134 1 17 . GLN . 19134 1 18 . THR . 19134 1 19 . GLY . 19134 1 20 . PHE . 19134 1 21 . THR . 19134 1 22 . GLU . 19134 1 23 . TYR . 19134 1 24 . LEU . 19134 1 25 . ARG . 19134 1 26 . ARG . 19134 1 27 . PHE . 19134 1 28 . PRO . 19134 1 29 . LYS . 19134 1 30 . ASP . 19134 1 31 . MET . 19134 1 32 . PRO . 19134 1 33 . PHE . 19134 1 34 . GLU . 19134 1 35 . LEU . 19134 1 36 . ILE . 19134 1 37 . GLU . 19134 1 38 . ILE . 19134 1 39 . PRO . 19134 1 40 . ALA . 19134 1 41 . GLY . 19134 1 42 . LYS . 19134 1 43 . ARG . 19134 1 44 . GLY . 19134 1 45 . LYS . 19134 1 46 . ASN . 19134 1 47 . ALA . 19134 1 48 . ASP . 19134 1 49 . ILE . 19134 1 50 . LYS . 19134 1 51 . ARG . 19134 1 52 . ILE . 19134 1 53 . LEU . 19134 1 54 . ASP . 19134 1 55 . LYS . 19134 1 56 . GLU . 19134 1 57 . GLY . 19134 1 58 . GLU . 19134 1 59 . GLN . 19134 1 60 . MET . 19134 1 61 . LEU . 19134 1 62 . ALA . 19134 1 63 . ALA . 19134 1 64 . ALA . 19134 1 65 . GLY . 19134 1 66 . LYS . 19134 1 67 . ASN . 19134 1 68 . ARG . 19134 1 69 . ILE . 19134 1 70 . VAL . 19134 1 71 . THR . 19134 1 72 . LEU . 19134 1 73 . ASP . 19134 1 74 . ILE . 19134 1 75 . PRO . 19134 1 76 . GLY . 19134 1 77 . LYS . 19134 1 78 . PRO . 19134 1 79 . TRP . 19134 1 80 . ASP . 19134 1 81 . THR . 19134 1 82 . PRO . 19134 1 83 . GLN . 19134 1 84 . LEU . 19134 1 85 . ALA . 19134 1 86 . ALA . 19134 1 87 . GLU . 19134 1 88 . LEU . 19134 1 89 . GLU . 19134 1 90 . ARG . 19134 1 91 . TRP . 19134 1 92 . LYS . 19134 1 93 . LEU . 19134 1 94 . ASP . 19134 1 95 . GLY . 19134 1 96 . ARG . 19134 1 97 . ASP . 19134 1 98 . VAL . 19134 1 99 . SER . 19134 1 100 . LEU . 19134 1 101 . LEU . 19134 1 102 . ILE . 19134 1 103 . GLY . 19134 1 104 . GLY . 19134 1 105 . PRO . 19134 1 106 . GLU . 19134 1 107 . GLY . 19134 1 108 . LEU . 19134 1 109 . SER . 19134 1 110 . PRO . 19134 1 111 . ALA . 19134 1 112 . CYS . 19134 1 113 . LYS . 19134 1 114 . ALA . 19134 1 115 . ALA . 19134 1 116 . ALA . 19134 1 117 . GLU . 19134 1 118 . GLN . 19134 1 119 . SER . 19134 1 120 . TRP . 19134 1 121 . SER . 19134 1 122 . LEU . 19134 1 123 . SER . 19134 1 124 . ALA . 19134 1 125 . LEU . 19134 1 126 . THR . 19134 1 127 . LEU . 19134 1 128 . PRO . 19134 1 129 . HIS . 19134 1 130 . PRO . 19134 1 131 . LEU . 19134 1 132 . VAL . 19134 1 133 . ARG . 19134 1 134 . VAL . 19134 1 135 . LEU . 19134 1 136 . VAL . 19134 1 137 . ALA . 19134 1 138 . GLU . 19134 1 139 . SER . 19134 1 140 . LEU . 19134 1 141 . TYR . 19134 1 142 . ARG . 19134 1 143 . ALA . 19134 1 144 . TRP . 19134 1 145 . SER . 19134 1 146 . ILE . 19134 1 147 . THR . 19134 1 148 . THR . 19134 1 149 . ASN . 19134 1 150 . HIS . 19134 1 151 . PRO . 19134 1 152 . TYR . 19134 1 153 . HIS . 19134 1 154 . ARG . 19134 1 155 . GLU . 19134 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 19134 1 . LYS 2 2 19134 1 . LEU 3 3 19134 1 . GLN 4 4 19134 1 . LEU 5 5 19134 1 . VAL 6 6 19134 1 . ALA 7 7 19134 1 . VAL 8 8 19134 1 . GLY 9 9 19134 1 . THR 10 10 19134 1 . LYS 11 11 19134 1 . MET 12 12 19134 1 . PRO 13 13 19134 1 . ASP 14 14 19134 1 . TRP 15 15 19134 1 . VAL 16 16 19134 1 . GLN 17 17 19134 1 . THR 18 18 19134 1 . GLY 19 19 19134 1 . PHE 20 20 19134 1 . THR 21 21 19134 1 . GLU 22 22 19134 1 . TYR 23 23 19134 1 . LEU 24 24 19134 1 . ARG 25 25 19134 1 . ARG 26 26 19134 1 . PHE 27 27 19134 1 . PRO 28 28 19134 1 . LYS 29 29 19134 1 . ASP 30 30 19134 1 . MET 31 31 19134 1 . PRO 32 32 19134 1 . PHE 33 33 19134 1 . GLU 34 34 19134 1 . LEU 35 35 19134 1 . ILE 36 36 19134 1 . GLU 37 37 19134 1 . ILE 38 38 19134 1 . PRO 39 39 19134 1 . ALA 40 40 19134 1 . GLY 41 41 19134 1 . LYS 42 42 19134 1 . ARG 43 43 19134 1 . GLY 44 44 19134 1 . LYS 45 45 19134 1 . ASN 46 46 19134 1 . ALA 47 47 19134 1 . ASP 48 48 19134 1 . ILE 49 49 19134 1 . LYS 50 50 19134 1 . ARG 51 51 19134 1 . ILE 52 52 19134 1 . LEU 53 53 19134 1 . ASP 54 54 19134 1 . LYS 55 55 19134 1 . GLU 56 56 19134 1 . GLY 57 57 19134 1 . GLU 58 58 19134 1 . GLN 59 59 19134 1 . MET 60 60 19134 1 . LEU 61 61 19134 1 . ALA 62 62 19134 1 . ALA 63 63 19134 1 . ALA 64 64 19134 1 . GLY 65 65 19134 1 . LYS 66 66 19134 1 . ASN 67 67 19134 1 . ARG 68 68 19134 1 . ILE 69 69 19134 1 . VAL 70 70 19134 1 . THR 71 71 19134 1 . LEU 72 72 19134 1 . ASP 73 73 19134 1 . ILE 74 74 19134 1 . PRO 75 75 19134 1 . GLY 76 76 19134 1 . LYS 77 77 19134 1 . PRO 78 78 19134 1 . TRP 79 79 19134 1 . ASP 80 80 19134 1 . THR 81 81 19134 1 . PRO 82 82 19134 1 . GLN 83 83 19134 1 . LEU 84 84 19134 1 . ALA 85 85 19134 1 . ALA 86 86 19134 1 . GLU 87 87 19134 1 . LEU 88 88 19134 1 . GLU 89 89 19134 1 . ARG 90 90 19134 1 . TRP 91 91 19134 1 . LYS 92 92 19134 1 . LEU 93 93 19134 1 . ASP 94 94 19134 1 . GLY 95 95 19134 1 . ARG 96 96 19134 1 . ASP 97 97 19134 1 . VAL 98 98 19134 1 . SER 99 99 19134 1 . LEU 100 100 19134 1 . LEU 101 101 19134 1 . ILE 102 102 19134 1 . GLY 103 103 19134 1 . GLY 104 104 19134 1 . PRO 105 105 19134 1 . GLU 106 106 19134 1 . GLY 107 107 19134 1 . LEU 108 108 19134 1 . SER 109 109 19134 1 . PRO 110 110 19134 1 . ALA 111 111 19134 1 . CYS 112 112 19134 1 . LYS 113 113 19134 1 . ALA 114 114 19134 1 . ALA 115 115 19134 1 . ALA 116 116 19134 1 . GLU 117 117 19134 1 . GLN 118 118 19134 1 . SER 119 119 19134 1 . TRP 120 120 19134 1 . SER 121 121 19134 1 . LEU 122 122 19134 1 . SER 123 123 19134 1 . ALA 124 124 19134 1 . LEU 125 125 19134 1 . THR 126 126 19134 1 . LEU 127 127 19134 1 . PRO 128 128 19134 1 . HIS 129 129 19134 1 . PRO 130 130 19134 1 . LEU 131 131 19134 1 . VAL 132 132 19134 1 . ARG 133 133 19134 1 . VAL 134 134 19134 1 . LEU 135 135 19134 1 . VAL 136 136 19134 1 . ALA 137 137 19134 1 . GLU 138 138 19134 1 . SER 139 139 19134 1 . LEU 140 140 19134 1 . TYR 141 141 19134 1 . ARG 142 142 19134 1 . ALA 143 143 19134 1 . TRP 144 144 19134 1 . SER 145 145 19134 1 . ILE 146 146 19134 1 . THR 147 147 19134 1 . THR 148 148 19134 1 . ASN 149 149 19134 1 . HIS 150 150 19134 1 . PRO 151 151 19134 1 . TYR 152 152 19134 1 . HIS 153 153 19134 1 . ARG 154 154 19134 1 . GLU 155 155 19134 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 19134 _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 $YbeA . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 19134 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 19134 _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 $YbeA . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . 'Pet 17b' . . . . . . 19134 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19134 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 YbeA '[U-13C; U-15N]' . . 1 $YbeA . . 350 . . uM . . . . 19134 1 2 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19134 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19134 1 4 TRIS 'natural abundance' . . . . . . 50 . . mM . . . . 19134 1 5 'potassium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 19134 1 6 glycerol 'natural abundance' . . . . . . 10 . . % . . . . 19134 1 7 urea 'natural abundance' . . . . . . 7.2 . . M . . . . 19134 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19134 _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 7.5 . pH 19134 1 pressure 1 . atm 19134 1 temperature 278 . K 19134 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19134 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 19134 _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 Bruker Avance . 700 . . . 19134 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 19134 _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 '2D 1H-15N HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19134 1 2 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19134 1 3 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19134 1 4 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19134 1 5 '3D HNCA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19134 1 6 '3D HCACO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19134 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 19134 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19134 _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 water protons . . . . ppm 175.900 internal indirect 0.251449530 . . . . . . . . . 19134 1 H 1 water protons . . . . ppm 4.964 internal direct 1.000000000 . . . . . . . . . 19134 1 N 15 water protons . . . . ppm 118.472 internal indirect 0.101329118 . . . . . . . . . 19134 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19134 _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_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19134 1 2 '3D CBCA(CO)NH' . . . 19134 1 3 '3D HNCO' . . . 19134 1 4 '3D HNCACB' . . . 19134 1 5 '3D HNCA' . . . 19134 1 6 '3D HCACO' . . . 19134 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET C C 13 177.514 0.006 2 1 . . . . 1 M C . 19134 1 2 . 1 1 1 1 MET CA C 13 54.886 0.000 1 1 . . . . 1 M CA . 19134 1 3 . 1 1 2 2 LYS H H 1 8.455 0.002 13 1 . . . . 2 K H . 19134 1 4 . 1 1 2 2 LYS C C 13 176.014 0.004 3 1 . . . . 2 K C . 19134 1 5 . 1 1 2 2 LYS CA C 13 61.830 0.178 4 1 . . . . 2 K CA . 19134 1 6 . 1 1 2 2 LYS CB C 13 32.120 0.096 2 1 . . . . 2 K CB . 19134 1 7 . 1 1 2 2 LYS N N 15 122.250 0.037 14 1 . . . . 2 K N . 19134 1 8 . 1 1 3 3 LEU H H 1 8.686 0.004 12 1 . . . . 3 L H . 19134 1 9 . 1 1 3 3 LEU C C 13 176.073 0.000 1 1 . . . . 3 L C . 19134 1 10 . 1 1 3 3 LEU CA C 13 55.657 0.128 2 1 . . . . 3 L CA . 19134 1 11 . 1 1 3 3 LEU CB C 13 30.120 0.054 2 1 . . . . 3 L CB . 19134 1 12 . 1 1 3 3 LEU N N 15 126.050 0.052 14 1 . . . . 3 L N . 19134 1 13 . 1 1 4 4 GLN H H 1 8.565 0.001 10 1 . . . . 4 Q H . 19134 1 14 . 1 1 4 4 GLN C C 13 175.963 0.010 2 1 . . . . 4 Q C . 19134 1 15 . 1 1 4 4 GLN CA C 13 61.900 0.143 4 1 . . . . 4 Q CA . 19134 1 16 . 1 1 4 4 GLN CB C 13 32.057 0.075 3 1 . . . . 4 Q CB . 19134 1 17 . 1 1 4 4 GLN N N 15 123.333 0.037 12 1 . . . . 4 Q N . 19134 1 18 . 1 1 5 5 LEU H H 1 8.654 0.005 16 1 . . . . 5 L H . 19134 1 19 . 1 1 5 5 LEU C C 13 177.134 0.006 3 1 . . . . 5 L C . 19134 1 20 . 1 1 5 5 LEU CA C 13 54.663 0.151 4 1 . . . . 5 L CA . 19134 1 21 . 1 1 5 5 LEU CB C 13 41.453 0.050 4 1 . . . . 5 L CB . 19134 1 22 . 1 1 5 5 LEU N N 15 127.228 0.022 18 1 . . . . 5 L N . 19134 1 23 . 1 1 6 6 VAL H H 1 8.524 0.002 14 1 . . . . 6 V H . 19134 1 24 . 1 1 6 6 VAL C C 13 175.911 0.048 3 1 . . . . 6 V C . 19134 1 25 . 1 1 6 6 VAL CA C 13 61.909 0.000 1 1 . . . . 6 V CA . 19134 1 26 . 1 1 6 6 VAL CB C 13 32.144 0.000 1 1 . . . . 6 V CB . 19134 1 27 . 1 1 6 6 VAL N N 15 122.404 0.025 16 1 . . . . 6 V N . 19134 1 28 . 1 1 7 7 ALA H H 1 8.633 0.002 8 1 . . . . 7 A H . 19134 1 29 . 1 1 7 7 ALA C C 13 177.691 0.007 3 1 . . . . 7 A C . 19134 1 30 . 1 1 7 7 ALA CA C 13 52.046 0.053 2 1 . . . . 7 A CA . 19134 1 31 . 1 1 7 7 ALA CB C 13 18.600 0.104 2 1 . . . . 7 A CB . 19134 1 32 . 1 1 7 7 ALA N N 15 128.188 0.068 10 1 . . . . 7 A N . 19134 1 33 . 1 1 8 8 VAL H H 1 8.428 0.001 14 1 . . . . 8 V H . 19134 1 34 . 1 1 8 8 VAL C C 13 176.828 0.005 3 1 . . . . 8 V C . 19134 1 35 . 1 1 8 8 VAL CA C 13 62.274 0.051 3 1 . . . . 8 V CA . 19134 1 36 . 1 1 8 8 VAL CB C 13 32.193 0.029 3 1 . . . . 8 V CB . 19134 1 37 . 1 1 8 8 VAL N N 15 120.550 0.094 16 1 . . . . 8 V N . 19134 1 38 . 1 1 9 9 GLY H H 1 8.680 0.001 13 1 . . . . 9 G H . 19134 1 39 . 1 1 9 9 GLY C C 13 174.251 0.005 3 1 . . . . 9 G C . 19134 1 40 . 1 1 9 9 GLY CA C 13 44.927 0.011 3 1 . . . . 9 G CA . 19134 1 41 . 1 1 9 9 GLY N N 15 112.583 0.052 15 1 . . . . 9 G N . 19134 1 42 . 1 1 10 10 THR H H 1 8.254 0.002 12 1 . . . . 10 T H . 19134 1 43 . 1 1 10 10 THR C C 13 174.574 0.014 3 1 . . . . 10 T C . 19134 1 44 . 1 1 10 10 THR CA C 13 61.760 0.032 3 1 . . . . 10 T CA . 19134 1 45 . 1 1 10 10 THR CB C 13 69.651 0.042 3 1 . . . . 10 T CB . 19134 1 46 . 1 1 10 10 THR N N 15 114.315 0.023 14 1 . . . . 10 T N . 19134 1 47 . 1 1 11 11 LYS H H 1 8.639 0.001 13 1 . . . . 11 K H . 19134 1 48 . 1 1 11 11 LYS C C 13 176.555 0.008 3 1 . . . . 11 K C . 19134 1 49 . 1 1 11 11 LYS CA C 13 56.098 0.119 3 1 . . . . 11 K CA . 19134 1 50 . 1 1 11 11 LYS CB C 13 32.468 0.073 3 1 . . . . 11 K CB . 19134 1 51 . 1 1 11 11 LYS N N 15 124.524 0.021 15 1 . . . . 11 K N . 19134 1 52 . 1 1 12 12 MET H H 1 8.822 0.002 12 1 . . . . 12 M H . 19134 1 53 . 1 1 12 12 MET C C 13 174.397 0.000 1 1 . . . . 12 M C . 19134 1 54 . 1 1 12 12 MET CA C 13 53.252 0.000 1 1 . . . . 12 M CA . 19134 1 55 . 1 1 12 12 MET CB C 13 32.084 0.000 1 1 . . . . 12 M CB . 19134 1 56 . 1 1 12 12 MET N N 15 124.289 0.026 12 1 . . . . 12 M N . 19134 1 57 . 1 1 13 13 PRO C C 13 176.563 0.000 2 1 . . . . 13 P C . 19134 1 58 . 1 1 13 13 PRO CA C 13 62.683 0.119 2 1 . . . . 13 P CA . 19134 1 59 . 1 1 13 13 PRO CB C 13 31.293 0.120 2 1 . . . . 13 P CB . 19134 1 60 . 1 1 14 14 ASP H H 1 8.633 0.002 13 1 . . . . 14 D H . 19134 1 61 . 1 1 14 14 ASP C C 13 176.172 0.009 3 1 . . . . 14 D C . 19134 1 62 . 1 1 14 14 ASP CA C 13 54.657 0.084 3 1 . . . . 14 D CA . 19134 1 63 . 1 1 14 14 ASP CB C 13 40.492 0.043 3 1 . . . . 14 D CB . 19134 1 64 . 1 1 14 14 ASP N N 15 120.627 0.030 14 1 . . . . 14 D N . 19134 1 65 . 1 1 15 15 TRP H H 1 7.986 0.001 14 1 . . . . 15 W H . 19134 1 66 . 1 1 15 15 TRP C C 13 176.173 0.004 3 1 . . . . 15 W C . 19134 1 67 . 1 1 15 15 TRP CA C 13 56.829 0.131 3 1 . . . . 15 W CA . 19134 1 68 . 1 1 15 15 TRP CB C 13 28.682 0.103 3 1 . . . . 15 W CB . 19134 1 69 . 1 1 15 15 TRP N N 15 119.611 0.025 16 1 . . . . 15 W N . 19134 1 70 . 1 1 16 16 VAL H H 1 7.959 0.001 13 1 . . . . 16 V H . 19134 1 71 . 1 1 16 16 VAL C C 13 175.751 0.019 3 1 . . . . 16 V C . 19134 1 72 . 1 1 16 16 VAL CA C 13 62.070 0.120 3 1 . . . . 16 V CA . 19134 1 73 . 1 1 16 16 VAL N N 15 122.799 0.018 15 1 . . . . 16 V N . 19134 1 74 . 1 1 17 17 GLN H H 1 8.553 0.002 12 1 . . . . 17 Q H . 19134 1 75 . 1 1 17 17 GLN C C 13 176.226 0.003 3 1 . . . . 17 Q C . 19134 1 76 . 1 1 17 17 GLN CA C 13 55.443 0.191 3 1 . . . . 17 Q CA . 19134 1 77 . 1 1 17 17 GLN CB C 13 28.796 0.015 3 1 . . . . 17 Q CB . 19134 1 78 . 1 1 17 17 GLN N N 15 124.445 0.104 14 1 . . . . 17 Q N . 19134 1 79 . 1 1 18 18 THR H H 1 8.439 0.001 14 1 . . . . 18 T H . 19134 1 80 . 1 1 18 18 THR C C 13 175.153 0.012 3 1 . . . . 18 T C . 19134 1 81 . 1 1 18 18 THR CA C 13 61.816 0.051 4 1 . . . . 18 T CA . 19134 1 82 . 1 1 18 18 THR CB C 13 69.617 0.072 2 1 . . . . 18 T CB . 19134 1 83 . 1 1 18 18 THR N N 15 115.675 0.022 16 1 . . . . 18 T N . 19134 1 84 . 1 1 19 19 GLY H H 1 8.584 0.001 14 1 . . . . 19 G H . 19134 1 85 . 1 1 19 19 GLY C C 13 173.752 0.006 3 1 . . . . 19 G C . 19134 1 86 . 1 1 19 19 GLY CA C 13 45.016 0.094 5 1 . . . . 19 G CA . 19134 1 87 . 1 1 19 19 GLY N N 15 110.738 0.023 17 1 . . . . 19 G N . 19134 1 88 . 1 1 20 20 PHE H H 1 8.391 0.007 14 1 . . . . 20 F H . 19134 1 89 . 1 1 20 20 PHE C C 13 175.974 0.006 3 1 . . . . 20 F C . 19134 1 90 . 1 1 20 20 PHE CA C 13 57.778 0.133 3 1 . . . . 20 F CA . 19134 1 91 . 1 1 20 20 PHE CB C 13 39.266 0.005 3 1 . . . . 20 F CB . 19134 1 92 . 1 1 20 20 PHE N N 15 120.517 0.077 16 1 . . . . 20 F N . 19134 1 93 . 1 1 21 21 THR H H 1 8.395 0.002 14 1 . . . . 21 T H . 19134 1 94 . 1 1 21 21 THR C C 13 174.069 0.014 3 1 . . . . 21 T C . 19134 1 95 . 1 1 21 21 THR CA C 13 61.753 0.000 1 1 . . . . 21 T CA . 19134 1 96 . 1 1 21 21 THR CB C 13 69.584 0.065 3 1 . . . . 21 T CB . 19134 1 97 . 1 1 21 21 THR N N 15 117.323 0.030 16 1 . . . . 21 T N . 19134 1 98 . 1 1 22 22 GLU H H 1 8.555 0.001 13 1 . . . . 22 E H . 19134 1 99 . 1 1 22 22 GLU C C 13 176.046 0.012 3 1 . . . . 22 E C . 19134 1 100 . 1 1 22 22 GLU CA C 13 56.202 0.038 3 1 . . . . 22 E CA . 19134 1 101 . 1 1 22 22 GLU CB C 13 29.748 0.016 3 1 . . . . 22 E CB . 19134 1 102 . 1 1 22 22 GLU N N 15 123.957 0.047 16 1 . . . . 22 E N . 19134 1 103 . 1 1 23 23 TYR H H 1 8.448 0.001 12 1 . . . . 23 Y H . 19134 1 104 . 1 1 23 23 TYR C C 13 175.676 0.009 3 1 . . . . 23 Y C . 19134 1 105 . 1 1 23 23 TYR CA C 13 57.806 0.023 2 1 . . . . 23 Y CA . 19134 1 106 . 1 1 23 23 TYR CB C 13 38.064 0.000 1 1 . . . . 23 Y CB . 19134 1 107 . 1 1 23 23 TYR N N 15 121.875 0.028 12 1 . . . . 23 Y N . 19134 1 108 . 1 1 24 24 LEU H H 1 8.437 0.002 5 1 . . . . 24 L H . 19134 1 109 . 1 1 24 24 LEU C C 13 174.805 0.012 3 1 . . . . 24 L C . 19134 1 110 . 1 1 24 24 LEU N N 15 122.441 0.055 5 1 . . . . 24 L N . 19134 1 111 . 1 1 25 25 ARG H H 1 8.420 0.005 4 1 . . . . 25 R H . 19134 1 112 . 1 1 25 25 ARG C C 13 175.104 0.000 1 1 . . . . 25 R C . 19134 1 113 . 1 1 25 25 ARG N N 15 124.210 0.034 4 1 . . . . 25 R N . 19134 1 114 . 1 1 28 28 PRO C C 13 176.866 0.002 2 1 . . . . 28 P C . 19134 1 115 . 1 1 28 28 PRO CA C 13 63.085 0.000 1 1 . . . . 28 P CA . 19134 1 116 . 1 1 28 28 PRO CB C 13 31.572 0.000 1 1 . . . . 28 P CB . 19134 1 117 . 1 1 29 29 LYS H H 1 8.638 0.002 10 1 . . . . 29 K H . 19134 1 118 . 1 1 29 29 LYS C C 13 176.426 0.016 3 1 . . . . 29 K C . 19134 1 119 . 1 1 29 29 LYS CA C 13 56.362 0.133 3 1 . . . . 29 K CA . 19134 1 120 . 1 1 29 29 LYS CB C 13 32.465 0.000 1 1 . . . . 29 K CB . 19134 1 121 . 1 1 29 29 LYS N N 15 121.326 0.092 10 1 . . . . 29 K N . 19134 1 122 . 1 1 30 30 ASP H H 1 8.593 0.001 13 1 . . . . 30 D H . 19134 1 123 . 1 1 30 30 ASP C C 13 175.886 0.005 3 1 . . . . 30 D C . 19134 1 124 . 1 1 30 30 ASP CA C 13 54.022 0.313 2 1 . . . . 30 D CA . 19134 1 125 . 1 1 30 30 ASP CB C 13 40.685 0.182 2 1 . . . . 30 D CB . 19134 1 126 . 1 1 30 30 ASP N N 15 120.797 0.090 15 1 . . . . 30 D N . 19134 1 127 . 1 1 31 31 MET H H 1 8.447 0.003 11 1 . . . . 31 M H . 19134 1 128 . 1 1 31 31 MET C C 13 174.224 0.000 1 1 . . . . 31 M C . 19134 1 129 . 1 1 31 31 MET CA C 13 53.262 0.000 1 1 . . . . 31 M CA . 19134 1 130 . 1 1 31 31 MET CB C 13 32.141 0.000 1 1 . . . . 31 M CB . 19134 1 131 . 1 1 31 31 MET N N 15 121.367 0.052 12 1 . . . . 31 M N . 19134 1 132 . 1 1 32 32 PRO C C 13 176.633 0.005 2 1 . . . . 32 P C . 19134 1 133 . 1 1 32 32 PRO CA C 13 62.828 0.089 2 1 . . . . 32 P CA . 19134 1 134 . 1 1 32 32 PRO CB C 13 31.285 0.103 2 1 . . . . 32 P CB . 19134 1 135 . 1 1 33 33 PHE H H 1 8.482 0.001 13 1 . . . . 33 F H . 19134 1 136 . 1 1 33 33 PHE C C 13 175.745 0.012 3 1 . . . . 33 F C . 19134 1 137 . 1 1 33 33 PHE CA C 13 57.807 0.094 3 1 . . . . 33 F CA . 19134 1 138 . 1 1 33 33 PHE CB C 13 38.931 0.068 3 1 . . . . 33 F CB . 19134 1 139 . 1 1 33 33 PHE N N 15 120.933 0.024 13 1 . . . . 33 F N . 19134 1 140 . 1 1 34 34 GLU H H 1 8.629 0.002 13 1 . . . . 34 E H . 19134 1 141 . 1 1 34 34 GLU C C 13 175.721 0.023 3 1 . . . . 34 E C . 19134 1 142 . 1 1 34 34 GLU CA C 13 55.890 0.120 2 1 . . . . 34 E CA . 19134 1 143 . 1 1 34 34 GLU CB C 13 30.044 0.054 3 1 . . . . 34 E CB . 19134 1 144 . 1 1 34 34 GLU N N 15 122.528 0.043 15 1 . . . . 34 E N . 19134 1 145 . 1 1 35 35 LEU H H 1 8.472 0.002 11 1 . . . . 35 L H . 19134 1 146 . 1 1 35 35 LEU C C 13 176.957 0.015 4 1 . . . . 35 L C . 19134 1 147 . 1 1 35 35 LEU CA C 13 54.529 0.000 1 1 . . . . 35 L CA . 19134 1 148 . 1 1 35 35 LEU CB C 13 41.465 0.050 2 1 . . . . 35 L CB . 19134 1 149 . 1 1 35 35 LEU N N 15 124.080 0.041 13 1 . . . . 35 L N . 19134 1 150 . 1 1 36 36 ILE H H 1 8.488 0.002 11 1 . . . . 36 I H . 19134 1 151 . 1 1 36 36 ILE C C 13 176.073 0.003 3 1 . . . . 36 I C . 19134 1 152 . 1 1 36 36 ILE CA C 13 60.931 0.204 3 1 . . . . 36 I CA . 19134 1 153 . 1 1 36 36 ILE CB C 13 37.975 0.000 1 1 . . . . 36 I CB . 19134 1 154 . 1 1 36 36 ILE N N 15 123.456 0.093 11 1 . . . . 36 I N . 19134 1 155 . 1 1 37 37 GLU H H 1 8.675 0.003 9 1 . . . . 37 E H . 19134 1 156 . 1 1 37 37 GLU C C 13 176.211 0.187 3 1 . . . . 37 E C . 19134 1 157 . 1 1 37 37 GLU CA C 13 55.978 0.000 1 1 . . . . 37 E CA . 19134 1 158 . 1 1 37 37 GLU CB C 13 29.560 0.000 1 1 . . . . 37 E CB . 19134 1 159 . 1 1 37 37 GLU N N 15 125.885 0.056 9 1 . . . . 37 E N . 19134 1 160 . 1 1 38 38 ILE H H 1 8.602 0.001 8 1 . . . . 38 I H . 19134 1 161 . 1 1 38 38 ILE C C 13 174.694 0.000 1 1 . . . . 38 I C . 19134 1 162 . 1 1 38 38 ILE CA C 13 58.453 0.000 1 1 . . . . 38 I CA . 19134 1 163 . 1 1 38 38 ILE CB C 13 37.920 0.000 1 1 . . . . 38 I CB . 19134 1 164 . 1 1 38 38 ILE N N 15 124.700 0.016 8 1 . . . . 38 I N . 19134 1 165 . 1 1 39 39 PRO C C 13 176.663 0.003 2 1 . . . . 39 P C . 19134 1 166 . 1 1 39 39 PRO CA C 13 62.862 0.068 2 1 . . . . 39 P CA . 19134 1 167 . 1 1 39 39 PRO CB C 13 31.452 0.036 2 1 . . . . 39 P CB . 19134 1 168 . 1 1 40 40 ALA H H 1 8.667 0.001 12 1 . . . . 40 A H . 19134 1 169 . 1 1 40 40 ALA C C 13 178.493 0.006 3 1 . . . . 40 A C . 19134 1 170 . 1 1 40 40 ALA CA C 13 52.596 0.122 3 1 . . . . 40 A CA . 19134 1 171 . 1 1 40 40 ALA CB C 13 18.644 0.120 3 1 . . . . 40 A CB . 19134 1 172 . 1 1 40 40 ALA N N 15 124.756 0.022 12 1 . . . . 40 A N . 19134 1 173 . 1 1 41 41 GLY H H 1 8.566 0.001 12 1 . . . . 41 G H . 19134 1 174 . 1 1 41 41 GLY C C 13 174.115 0.016 3 1 . . . . 41 G C . 19134 1 175 . 1 1 41 41 GLY CA C 13 44.853 0.072 2 1 . . . . 41 G CA . 19134 1 176 . 1 1 41 41 GLY N N 15 108.035 0.028 12 1 . . . . 41 G N . 19134 1 177 . 1 1 42 42 LYS H H 1 8.429 0.002 7 1 . . . . 42 K H . 19134 1 178 . 1 1 42 42 LYS C C 13 176.844 0.008 3 1 . . . . 42 K C . 19134 1 179 . 1 1 42 42 LYS CA C 13 55.948 0.000 1 1 . . . . 42 K CA . 19134 1 180 . 1 1 42 42 LYS CB C 13 32.604 0.000 1 1 . . . . 42 K CB . 19134 1 181 . 1 1 42 42 LYS N N 15 120.955 0.032 7 1 . . . . 42 K N . 19134 1 182 . 1 1 43 43 ARG H H 1 8.679 0.001 8 1 . . . . 43 R H . 19134 1 183 . 1 1 43 43 ARG C C 13 176.953 0.014 3 1 . . . . 43 R C . 19134 1 184 . 1 1 43 43 ARG CA C 13 55.971 0.106 2 1 . . . . 43 R CA . 19134 1 185 . 1 1 43 43 ARG CB C 13 30.289 0.022 3 1 . . . . 43 R CB . 19134 1 186 . 1 1 43 43 ARG N N 15 122.641 0.029 8 1 . . . . 43 R N . 19134 1 187 . 1 1 44 44 GLY H H 1 8.682 0.002 11 1 . . . . 44 G H . 19134 1 188 . 1 1 44 44 GLY C C 13 173.923 0.007 3 1 . . . . 44 G C . 19134 1 189 . 1 1 44 44 GLY CA C 13 44.743 0.033 3 1 . . . . 44 G CA . 19134 1 190 . 1 1 44 44 GLY N N 15 110.474 0.030 11 1 . . . . 44 G N . 19134 1 191 . 1 1 45 45 LYS H H 1 8.533 0.002 10 1 . . . . 45 K H . 19134 1 192 . 1 1 45 45 LYS C C 13 176.742 0.005 3 1 . . . . 45 K C . 19134 1 193 . 1 1 45 45 LYS CA C 13 56.155 0.055 3 1 . . . . 45 K CA . 19134 1 194 . 1 1 45 45 LYS CB C 13 32.533 0.042 3 1 . . . . 45 K CB . 19134 1 195 . 1 1 45 45 LYS N N 15 121.138 0.019 10 1 . . . . 45 K N . 19134 1 196 . 1 1 46 46 ASN H H 1 8.823 0.002 12 1 . . . . 46 N H . 19134 1 197 . 1 1 46 46 ASN C C 13 175.195 0.009 3 1 . . . . 46 N C . 19134 1 198 . 1 1 46 46 ASN CA C 13 53.176 0.082 3 1 . . . . 46 N CA . 19134 1 199 . 1 1 46 46 ASN CB C 13 38.394 0.044 3 1 . . . . 46 N CB . 19134 1 200 . 1 1 46 46 ASN N N 15 120.304 0.068 12 1 . . . . 46 N N . 19134 1 201 . 1 1 47 47 ALA H H 1 8.522 0.002 12 1 . . . . 47 A H . 19134 1 202 . 1 1 47 47 ALA C C 13 177.306 0.006 3 1 . . . . 47 A C . 19134 1 203 . 1 1 47 47 ALA CA C 13 52.438 0.092 3 1 . . . . 47 A CA . 19134 1 204 . 1 1 47 47 ALA CB C 13 18.748 0.140 3 1 . . . . 47 A CB . 19134 1 205 . 1 1 47 47 ALA N N 15 124.348 0.029 12 1 . . . . 47 A N . 19134 1 206 . 1 1 48 48 ASP H H 1 8.543 0.001 12 1 . . . . 48 D H . 19134 1 207 . 1 1 48 48 ASP C C 13 176.215 0.013 3 1 . . . . 48 D C . 19134 1 208 . 1 1 48 48 ASP CA C 13 54.115 0.145 3 1 . . . . 48 D CA . 19134 1 209 . 1 1 48 48 ASP CB C 13 40.572 0.027 3 1 . . . . 48 D CB . 19134 1 210 . 1 1 48 48 ASP N N 15 119.940 0.028 12 1 . . . . 48 D N . 19134 1 211 . 1 1 49 49 ILE H H 1 8.218 0.002 12 1 . . . . 49 I H . 19134 1 212 . 1 1 49 49 ILE C C 13 176.244 0.004 3 1 . . . . 49 I C . 19134 1 213 . 1 1 49 49 ILE CA C 13 60.897 0.111 3 1 . . . . 49 I CA . 19134 1 214 . 1 1 49 49 ILE CB C 13 37.957 0.020 4 1 . . . . 49 I CB . 19134 1 215 . 1 1 49 49 ILE N N 15 121.365 0.021 12 1 . . . . 49 I N . 19134 1 216 . 1 1 50 50 LYS H H 1 8.649 0.007 13 1 . . . . 50 K H . 19134 1 217 . 1 1 50 50 LYS C C 13 176.460 0.021 3 1 . . . . 50 K C . 19134 1 218 . 1 1 50 50 LYS CA C 13 55.912 0.000 1 1 . . . . 50 K CA . 19134 1 219 . 1 1 50 50 LYS CB C 13 32.244 0.033 4 1 . . . . 50 K CB . 19134 1 220 . 1 1 50 50 LYS N N 15 126.163 0.022 13 1 . . . . 50 K N . 19134 1 221 . 1 1 51 51 ARG H H 1 8.671 0.002 11 1 . . . . 51 R H . 19134 1 222 . 1 1 51 51 ARG C C 13 176.184 0.008 3 1 . . . . 51 R C . 19134 1 223 . 1 1 51 51 ARG CA C 13 55.823 0.177 2 1 . . . . 51 R CA . 19134 1 224 . 1 1 51 51 ARG CB C 13 30.233 0.047 2 1 . . . . 51 R CB . 19134 1 225 . 1 1 51 51 ARG N N 15 123.768 0.029 11 1 . . . . 51 R N . 19134 1 226 . 1 1 52 52 ILE H H 1 8.648 0.002 9 1 . . . . 52 I H . 19134 1 227 . 1 1 52 52 ILE C C 13 176.241 0.008 3 1 . . . . 52 I C . 19134 1 228 . 1 1 52 52 ILE CA C 13 60.926 0.052 3 1 . . . . 52 I CA . 19134 1 229 . 1 1 52 52 ILE CB C 13 37.728 0.000 1 1 . . . . 52 I CB . 19134 1 230 . 1 1 52 52 ILE N N 15 123.995 0.031 9 1 . . . . 52 I N . 19134 1 231 . 1 1 53 53 LEU H H 1 8.679 0.002 10 1 . . . . 53 L H . 19134 1 232 . 1 1 53 53 LEU C C 13 177.101 0.013 3 1 . . . . 53 L C . 19134 1 233 . 1 1 53 53 LEU CA C 13 54.637 0.108 2 1 . . . . 53 L CA . 19134 1 234 . 1 1 53 53 LEU CB C 13 41.428 0.000 1 1 . . . . 53 L CB . 19134 1 235 . 1 1 53 53 LEU N N 15 127.206 0.037 10 1 . . . . 53 L N . 19134 1 236 . 1 1 54 54 ASP H H 1 8.626 0.002 9 1 . . . . 54 D H . 19134 1 237 . 1 1 54 54 ASP C C 13 176.436 0.049 4 1 . . . . 54 D C . 19134 1 238 . 1 1 54 54 ASP CA C 13 53.967 0.000 1 1 . . . . 54 D CA . 19134 1 239 . 1 1 54 54 ASP CB C 13 40.882 0.100 2 1 . . . . 54 D CB . 19134 1 240 . 1 1 54 54 ASP N N 15 121.825 0.038 9 1 . . . . 54 D N . 19134 1 241 . 1 1 55 55 LYS H H 1 8.598 0.010 10 1 . . . . 55 K H . 19134 1 242 . 1 1 55 55 LYS C C 13 176.952 0.007 3 1 . . . . 55 K C . 19134 1 243 . 1 1 55 55 LYS CA C 13 56.548 0.000 1 1 . . . . 55 K CA . 19134 1 244 . 1 1 55 55 LYS CB C 13 32.247 0.000 1 1 . . . . 55 K CB . 19134 1 245 . 1 1 55 55 LYS N N 15 121.695 0.065 10 1 . . . . 55 K N . 19134 1 246 . 1 1 56 56 GLU H H 1 8.691 0.002 9 1 . . . . 56 E H . 19134 1 247 . 1 1 56 56 GLU C C 13 177.310 0.006 3 1 . . . . 56 E C . 19134 1 248 . 1 1 56 56 GLU CA C 13 56.615 0.072 3 1 . . . . 56 E CA . 19134 1 249 . 1 1 56 56 GLU CB C 13 29.527 0.010 3 1 . . . . 56 E CB . 19134 1 250 . 1 1 56 56 GLU N N 15 121.649 0.026 9 1 . . . . 56 E N . 19134 1 251 . 1 1 57 57 GLY H H 1 8.554 0.002 11 1 . . . . 57 G H . 19134 1 252 . 1 1 57 57 GLY C C 13 174.253 0.003 3 1 . . . . 57 G C . 19134 1 253 . 1 1 57 57 GLY CA C 13 45.089 0.084 2 1 . . . . 57 G CA . 19134 1 254 . 1 1 57 57 GLY N N 15 109.615 0.035 11 1 . . . . 57 G N . 19134 1 255 . 1 1 58 58 GLU H H 1 8.445 0.003 9 1 . . . . 58 E H . 19134 1 256 . 1 1 58 58 GLU C C 13 176.897 0.007 3 1 . . . . 58 E C . 19134 1 257 . 1 1 58 58 GLU CA C 13 56.428 0.179 2 1 . . . . 58 E CA . 19134 1 258 . 1 1 58 58 GLU CB C 13 29.811 0.028 2 1 . . . . 58 E CB . 19134 1 259 . 1 1 58 58 GLU N N 15 120.699 0.061 9 1 . . . . 58 E N . 19134 1 260 . 1 1 59 59 GLN H H 1 8.724 0.003 10 1 . . . . 59 Q H . 19134 1 261 . 1 1 59 59 GLN C C 13 176.281 0.007 3 1 . . . . 59 Q C . 19134 1 262 . 1 1 59 59 GLN CA C 13 55.866 0.193 3 1 . . . . 59 Q CA . 19134 1 263 . 1 1 59 59 GLN CB C 13 28.849 0.019 3 1 . . . . 59 Q CB . 19134 1 264 . 1 1 59 59 GLN N N 15 121.499 0.023 10 1 . . . . 59 Q N . 19134 1 265 . 1 1 60 60 MET H H 1 8.686 0.002 12 1 . . . . 60 M H . 19134 1 266 . 1 1 60 60 MET C C 13 176.372 0.005 3 1 . . . . 60 M C . 19134 1 267 . 1 1 60 60 MET CA C 13 55.414 0.000 1 1 . . . . 60 M CA . 19134 1 268 . 1 1 60 60 MET CB C 13 32.247 0.000 1 1 . . . . 60 M CB . 19134 1 269 . 1 1 60 60 MET N N 15 122.282 0.071 12 1 . . . . 60 M N . 19134 1 270 . 1 1 61 61 LEU H H 1 8.558 0.001 7 1 . . . . 61 L H . 19134 1 271 . 1 1 61 61 LEU C C 13 177.330 0.021 3 1 . . . . 61 L C . 19134 1 272 . 1 1 61 61 LEU CA C 13 54.755 0.067 2 1 . . . . 61 L CA . 19134 1 273 . 1 1 61 61 LEU CB C 13 41.545 0.072 3 1 . . . . 61 L CB . 19134 1 274 . 1 1 61 61 LEU N N 15 124.080 0.080 7 1 . . . . 61 L N . 19134 1 275 . 1 1 62 62 ALA H H 1 8.576 0.001 12 1 . . . . 62 A H . 19134 1 276 . 1 1 62 62 ALA C C 13 177.720 0.029 3 1 . . . . 62 A C . 19134 1 277 . 1 1 62 62 ALA CA C 13 52.214 0.049 2 1 . . . . 62 A CA . 19134 1 278 . 1 1 62 62 ALA CB C 13 18.619 0.108 2 1 . . . . 62 A CB . 19134 1 279 . 1 1 62 62 ALA N N 15 125.163 0.028 12 1 . . . . 62 A N . 19134 1 280 . 1 1 63 63 ALA H H 1 8.472 0.002 10 5 . . . . 63 A H . 19134 1 281 . 1 1 63 63 ALA C C 13 177.638 0.005 3 5 . . . . 63 A C . 19134 1 282 . 1 1 63 63 ALA CA C 13 52.334 0.000 1 5 . . . . 63 A CA . 19134 1 283 . 1 1 63 63 ALA CB C 13 18.509 0.000 1 5 . . . . 63 A CB . 19134 1 284 . 1 1 63 63 ALA N N 15 123.505 0.022 10 5 . . . . 63 A N . 19134 1 285 . 1 1 64 64 ALA H H 1 8.454 0.004 6 1 . . . . 64 A H . 19134 1 286 . 1 1 64 64 ALA C C 13 178.318 0.004 3 1 . . . . 64 A C . 19134 1 287 . 1 1 64 64 ALA CA C 13 52.393 0.028 2 1 . . . . 64 A CA . 19134 1 288 . 1 1 64 64 ALA CB C 13 18.770 0.144 2 1 . . . . 64 A CB . 19134 1 289 . 1 1 64 64 ALA N N 15 123.287 0.069 6 1 . . . . 64 A N . 19134 1 290 . 1 1 65 65 GLY H H 1 8.498 0.001 11 1 . . . . 65 G H . 19134 1 291 . 1 1 65 65 GLY C C 13 174.197 0.007 3 1 . . . . 65 G C . 19134 1 292 . 1 1 65 65 GLY CA C 13 44.958 0.054 2 1 . . . . 65 G CA . 19134 1 293 . 1 1 65 65 GLY N N 15 108.065 0.025 11 1 . . . . 65 G N . 19134 1 294 . 1 1 66 66 LYS H H 1 8.402 0.023 8 1 . . . . 66 K H . 19134 1 295 . 1 1 66 66 LYS C C 13 176.613 0.018 3 1 . . . . 66 K C . 19134 1 296 . 1 1 66 66 LYS CA C 13 56.176 0.101 3 1 . . . . 66 K CA . 19134 1 297 . 1 1 66 66 LYS CB C 13 32.447 0.075 2 1 . . . . 66 K CB . 19134 1 298 . 1 1 66 66 LYS N N 15 120.757 0.083 8 1 . . . . 66 K N . 19134 1 299 . 1 1 67 67 ASN H H 1 8.739 0.002 12 1 . . . . 67 N H . 19134 1 300 . 1 1 67 67 ASN C C 13 175.185 0.004 3 1 . . . . 67 N C . 19134 1 301 . 1 1 67 67 ASN CA C 13 53.198 0.140 3 1 . . . . 67 N CA . 19134 1 302 . 1 1 67 67 ASN CB C 13 38.425 0.062 3 1 . . . . 67 N CB . 19134 1 303 . 1 1 67 67 ASN N N 15 119.767 0.022 12 1 . . . . 67 N N . 19134 1 304 . 1 1 68 68 ARG H H 1 8.578 0.001 12 1 . . . . 68 R H . 19134 1 305 . 1 1 68 68 ARG C C 13 176.089 0.001 3 1 . . . . 68 R C . 19134 1 306 . 1 1 68 68 ARG CA C 13 55.805 0.072 2 1 . . . . 68 R CA . 19134 1 307 . 1 1 68 68 ARG CB C 13 30.107 0.047 3 1 . . . . 68 R CB . 19134 1 308 . 1 1 68 68 ARG N N 15 122.061 0.039 12 1 . . . . 68 R N . 19134 1 309 . 1 1 69 69 ILE H H 1 8.609 0.001 11 1 . . . . 69 I H . 19134 1 310 . 1 1 69 69 ILE C C 13 176.247 0.030 3 1 . . . . 69 I C . 19134 1 311 . 1 1 69 69 ILE CA C 13 60.820 0.077 2 1 . . . . 69 I CA . 19134 1 312 . 1 1 69 69 ILE CB C 13 37.851 0.029 3 1 . . . . 69 I CB . 19134 1 313 . 1 1 69 69 ILE N N 15 123.831 0.028 11 1 . . . . 69 I N . 19134 1 314 . 1 1 70 70 VAL H H 1 8.626 0.001 10 1 . . . . 70 V H . 19134 1 315 . 1 1 70 70 VAL C C 13 176.183 0.018 3 1 . . . . 70 V C . 19134 1 316 . 1 1 70 70 VAL CA C 13 61.706 0.063 3 1 . . . . 70 V CA . 19134 1 317 . 1 1 70 70 VAL CB C 13 32.260 0.056 2 1 . . . . 70 V CB . 19134 1 318 . 1 1 70 70 VAL N N 15 126.089 0.039 10 1 . . . . 70 V N . 19134 1 319 . 1 1 71 71 THR H H 1 8.539 0.001 11 1 . . . . 71 T H . 19134 1 320 . 1 1 71 71 THR C C 13 174.268 0.013 3 1 . . . . 71 T C . 19134 1 321 . 1 1 71 71 THR CA C 13 61.296 0.000 1 1 . . . . 71 T CA . 19134 1 322 . 1 1 71 71 THR CB C 13 69.543 0.009 2 1 . . . . 71 T CB . 19134 1 323 . 1 1 71 71 THR N N 15 119.605 0.037 11 1 . . . . 71 T N . 19134 1 324 . 1 1 72 72 LEU H H 1 8.598 0.001 8 1 . . . . 72 L H . 19134 1 325 . 1 1 72 72 LEU C C 13 176.877 0.010 3 1 . . . . 72 L C . 19134 1 326 . 1 1 72 72 LEU CA C 13 54.672 0.000 1 1 . . . . 72 L CA . 19134 1 327 . 1 1 72 72 LEU CB C 13 41.866 0.000 1 1 . . . . 72 L CB . 19134 1 328 . 1 1 72 72 LEU N N 15 125.051 0.021 8 1 . . . . 72 L N . 19134 1 329 . 1 1 73 73 ASP H H 1 8.664 0.001 11 1 . . . . 73 D H . 19134 1 330 . 1 1 73 73 ASP C C 13 175.733 0.014 3 1 . . . . 73 D C . 19134 1 331 . 1 1 73 73 ASP CA C 13 53.939 0.302 3 1 . . . . 73 D CA . 19134 1 332 . 1 1 73 73 ASP CB C 13 40.626 0.083 2 1 . . . . 73 D CB . 19134 1 333 . 1 1 73 73 ASP N N 15 121.988 0.027 11 1 . . . . 73 D N . 19134 1 334 . 1 1 74 74 ILE H H 1 8.351 0.001 10 1 . . . . 74 I H . 19134 1 335 . 1 1 74 74 ILE C C 13 174.599 0.000 1 1 . . . . 74 I C . 19134 1 336 . 1 1 74 74 ILE CA C 13 58.396 0.000 1 1 . . . . 74 I CA . 19134 1 337 . 1 1 74 74 ILE CB C 13 38.223 0.000 1 1 . . . . 74 I CB . 19134 1 338 . 1 1 74 74 ILE N N 15 122.354 0.019 10 1 . . . . 74 I N . 19134 1 339 . 1 1 75 75 PRO C C 13 177.391 0.001 2 1 . . . . 75 P C . 19134 1 340 . 1 1 75 75 PRO CA C 13 63.005 0.157 2 1 . . . . 75 P CA . 19134 1 341 . 1 1 75 75 PRO CB C 13 31.544 0.085 2 1 . . . . 75 P CB . 19134 1 342 . 1 1 76 76 GLY H H 1 8.596 0.001 11 1 . . . . 76 G H . 19134 1 343 . 1 1 76 76 GLY C C 13 173.642 0.004 2 1 . . . . 76 G C . 19134 1 344 . 1 1 76 76 GLY CA C 13 44.645 0.038 3 1 . . . . 76 G CA . 19134 1 345 . 1 1 76 76 GLY N N 15 109.187 0.026 11 1 . . . . 76 G N . 19134 1 346 . 1 1 77 77 LYS H H 1 8.420 0.001 10 1 . . . . 77 K H . 19134 1 347 . 1 1 77 77 LYS C C 13 175.060 0.000 1 1 . . . . 77 K C . 19134 1 348 . 1 1 77 77 LYS CA C 13 53.675 0.003 2 1 . . . . 77 K CA . 19134 1 349 . 1 1 77 77 LYS CB C 13 31.565 0.000 1 1 . . . . 77 K CB . 19134 1 350 . 1 1 77 77 LYS N N 15 121.723 0.022 10 1 . . . . 77 K N . 19134 1 351 . 1 1 78 78 PRO C C 13 176.796 0.003 2 1 . . . . 78 P C . 19134 1 352 . 1 1 78 78 PRO CA C 13 63.065 0.207 2 1 . . . . 78 P CA . 19134 1 353 . 1 1 78 78 PRO CB C 13 31.293 0.080 2 1 . . . . 78 P CB . 19134 1 354 . 1 1 79 79 TRP H H 1 8.138 0.001 12 1 . . . . 79 W H . 19134 1 355 . 1 1 79 79 TRP C C 13 176.081 0.004 3 1 . . . . 79 W C . 19134 1 356 . 1 1 79 79 TRP CA C 13 56.875 0.173 3 1 . . . . 79 W CA . 19134 1 357 . 1 1 79 79 TRP CB C 13 28.643 0.153 3 1 . . . . 79 W CB . 19134 1 358 . 1 1 79 79 TRP N N 15 119.747 0.022 12 1 . . . . 79 W N . 19134 1 359 . 1 1 80 80 ASP H H 1 8.306 0.002 12 1 . . . . 80 D H . 19134 1 360 . 1 1 80 80 ASP C C 13 175.820 0.015 3 1 . . . . 80 D C . 19134 1 361 . 1 1 80 80 ASP CA C 13 53.849 0.157 3 1 . . . . 80 D CA . 19134 1 362 . 1 1 80 80 ASP CB C 13 40.709 0.048 3 1 . . . . 80 D CB . 19134 1 363 . 1 1 80 80 ASP N N 15 121.956 0.035 12 1 . . . . 80 D N . 19134 1 364 . 1 1 81 81 THR H H 1 8.188 0.002 12 1 . . . . 81 T H . 19134 1 365 . 1 1 81 81 THR C C 13 172.889 0.000 1 1 . . . . 81 T C . 19134 1 366 . 1 1 81 81 THR CA C 13 59.817 0.000 1 1 . . . . 81 T CA . 19134 1 367 . 1 1 81 81 THR CB C 13 69.331 0.000 1 1 . . . . 81 T CB . 19134 1 368 . 1 1 81 81 THR N N 15 115.981 0.022 12 1 . . . . 81 T N . 19134 1 369 . 1 1 84 84 LEU C C 13 177.301 0.004 2 1 . . . . 84 L C . 19134 1 370 . 1 1 84 84 LEU CA C 13 54.655 0.003 2 1 . . . . 84 L CA . 19134 1 371 . 1 1 84 84 LEU CB C 13 41.550 0.001 2 1 . . . . 84 L CB . 19134 1 372 . 1 1 85 85 ALA H H 1 8.620 0.002 10 1 . . . . 85 A H . 19134 1 373 . 1 1 85 85 ALA C C 13 177.746 0.007 3 1 . . . . 85 A C . 19134 1 374 . 1 1 85 85 ALA CA C 13 52.265 0.033 3 1 . . . . 85 A CA . 19134 1 375 . 1 1 85 85 ALA CB C 13 18.474 0.000 3 1 . . . . 85 A CB . 19134 1 376 . 1 1 85 85 ALA N N 15 125.392 0.063 10 1 . . . . 85 A N . 19134 1 377 . 1 1 86 86 ALA H H 1 8.490 0.006 11 1 . . . . 86 A H . 19134 1 378 . 1 1 86 86 ALA C C 13 178.182 0.007 3 1 . . . . 86 A C . 19134 1 379 . 1 1 86 86 ALA CA C 13 52.569 0.026 3 1 . . . . 86 A CA . 19134 1 380 . 1 1 86 86 ALA CB C 13 18.632 0.095 3 1 . . . . 86 A CB . 19134 1 381 . 1 1 86 86 ALA N N 15 123.415 0.058 11 1 . . . . 86 A N . 19134 1 382 . 1 1 87 87 GLU H H 1 8.579 0.001 12 1 . . . . 87 E H . 19134 1 383 . 1 1 87 87 GLU C C 13 176.792 0.011 3 1 . . . . 87 E C . 19134 1 384 . 1 1 87 87 GLU CA C 13 56.530 0.000 1 1 . . . . 87 E CA . 19134 1 385 . 1 1 87 87 GLU CB C 13 29.480 0.000 1 1 . . . . 87 E CB . 19134 1 386 . 1 1 87 87 GLU N N 15 119.854 0.034 12 1 . . . . 87 E N . 19134 1 387 . 1 1 88 88 LEU H H 1 8.381 0.001 4 1 . . . . 88 L H . 19134 1 388 . 1 1 88 88 LEU C C 13 177.635 0.018 3 1 . . . . 88 L C . 19134 1 389 . 1 1 88 88 LEU N N 15 122.744 0.063 4 1 . . . . 88 L N . 19134 1 390 . 1 1 89 89 GLU H H 1 8.628 0.002 5 1 . . . . 89 E H . 19134 1 391 . 1 1 89 89 GLU C C 13 176.904 0.008 3 1 . . . . 89 E C . 19134 1 392 . 1 1 89 89 GLU CA C 13 56.407 0.213 3 1 . . . . 89 E CA . 19134 1 393 . 1 1 89 89 GLU CB C 13 29.452 0.007 2 1 . . . . 89 E CB . 19134 1 394 . 1 1 89 89 GLU N N 15 121.719 0.031 5 1 . . . . 89 E N . 19134 1 395 . 1 1 90 90 ARG H H 1 8.498 0.002 11 1 . . . . 90 R H . 19134 1 396 . 1 1 90 90 ARG C C 13 176.473 0.009 3 1 . . . . 90 R C . 19134 1 397 . 1 1 90 90 ARG CA C 13 56.273 0.000 1 1 . . . . 90 R CA . 19134 1 398 . 1 1 90 90 ARG CB C 13 29.777 0.040 2 1 . . . . 90 R CB . 19134 1 399 . 1 1 90 90 ARG N N 15 122.124 0.046 11 1 . . . . 90 R N . 19134 1 400 . 1 1 91 91 TRP H H 1 8.273 0.002 10 1 . . . . 91 W H . 19134 1 401 . 1 1 91 91 TRP C C 13 176.381 0.013 3 1 . . . . 91 W C . 19134 1 402 . 1 1 91 91 TRP CA C 13 56.648 0.213 2 1 . . . . 91 W CA . 19134 1 403 . 1 1 91 91 TRP CB C 13 28.812 0.181 2 1 . . . . 91 W CB . 19134 1 404 . 1 1 91 91 TRP N N 15 120.944 0.027 10 1 . . . . 91 W N . 19134 1 405 . 1 1 92 92 LYS H H 1 8.269 0.003 9 1 . . . . 92 K H . 19134 1 406 . 1 1 92 92 LYS C C 13 176.567 0.004 3 1 . . . . 92 K C . 19134 1 407 . 1 1 92 92 LYS CA C 13 56.117 0.000 1 1 . . . . 92 K CA . 19134 1 408 . 1 1 92 92 LYS CB C 13 32.359 0.028 3 1 . . . . 92 K CB . 19134 1 409 . 1 1 92 92 LYS N N 15 122.811 0.023 9 1 . . . . 92 K N . 19134 1 410 . 1 1 93 93 LEU H H 1 8.377 0.002 11 1 . . . . 93 L H . 19134 1 411 . 1 1 93 93 LEU C C 13 177.254 0.015 3 1 . . . . 93 L C . 19134 1 412 . 1 1 93 93 LEU CA C 13 54.924 0.074 2 1 . . . . 93 L CA . 19134 1 413 . 1 1 93 93 LEU CB C 13 41.547 0.154 2 1 . . . . 93 L CB . 19134 1 414 . 1 1 93 93 LEU N N 15 123.289 0.056 11 1 . . . . 93 L N . 19134 1 415 . 1 1 94 94 ASP H H 1 8.595 0.001 9 1 . . . . 94 D H . 19134 1 416 . 1 1 94 94 ASP C C 13 176.841 0.007 3 1 . . . . 94 D C . 19134 1 417 . 1 1 94 94 ASP CA C 13 54.054 0.188 2 1 . . . . 94 D CA . 19134 1 418 . 1 1 94 94 ASP CB C 13 40.985 0.064 2 1 . . . . 94 D CB . 19134 1 419 . 1 1 94 94 ASP N N 15 121.080 0.056 9 1 . . . . 94 D N . 19134 1 420 . 1 1 95 95 GLY H H 1 8.544 0.003 10 1 . . . . 95 G H . 19134 1 421 . 1 1 95 95 GLY C C 13 174.358 0.044 3 1 . . . . 95 G C . 19134 1 422 . 1 1 95 95 GLY CA C 13 45.092 0.000 1 1 . . . . 95 G CA . 19134 1 423 . 1 1 95 95 GLY N N 15 109.361 0.055 10 1 . . . . 95 G N . 19134 1 424 . 1 1 96 96 ARG H H 1 8.363 0.001 8 1 . . . . 96 R H . 19134 1 425 . 1 1 96 96 ARG C C 13 176.166 0.001 3 1 . . . . 96 R C . 19134 1 426 . 1 1 96 96 ARG CA C 13 56.210 0.013 2 1 . . . . 96 R CA . 19134 1 427 . 1 1 96 96 ARG CB C 13 30.133 0.030 2 1 . . . . 96 R CB . 19134 1 428 . 1 1 96 96 ARG N N 15 120.269 0.026 8 1 . . . . 96 R N . 19134 1 429 . 1 1 97 97 ASP H H 1 8.682 0.002 9 1 . . . . 97 D H . 19134 1 430 . 1 1 97 97 ASP C C 13 176.693 0.013 3 1 . . . . 97 D C . 19134 1 431 . 1 1 97 97 ASP CA C 13 53.889 0.000 1 1 . . . . 97 D CA . 19134 1 432 . 1 1 97 97 ASP CB C 13 40.635 0.040 3 1 . . . . 97 D CB . 19134 1 433 . 1 1 97 97 ASP N N 15 121.306 0.071 9 1 . . . . 97 D N . 19134 1 434 . 1 1 98 98 VAL H H 1 8.315 0.001 11 1 . . . . 98 V H . 19134 1 435 . 1 1 98 98 VAL C C 13 176.435 0.001 3 1 . . . . 98 V C . 19134 1 436 . 1 1 98 98 VAL CA C 13 61.932 0.194 3 1 . . . . 98 V CA . 19134 1 437 . 1 1 98 98 VAL CB C 13 31.812 0.021 3 1 . . . . 98 V CB . 19134 1 438 . 1 1 98 98 VAL N N 15 120.398 0.026 11 1 . . . . 98 V N . 19134 1 439 . 1 1 99 99 SER H H 1 8.639 0.001 12 1 . . . . 99 S H . 19134 1 440 . 1 1 99 99 SER C C 13 174.726 0.002 2 1 . . . . 99 S C . 19134 1 441 . 1 1 99 99 SER CA C 13 58.638 0.134 3 1 . . . . 99 S CA . 19134 1 442 . 1 1 99 99 SER CB C 13 63.076 0.059 3 1 . . . . 99 S CB . 19134 1 443 . 1 1 99 99 SER N N 15 119.076 0.028 12 1 . . . . 99 S N . 19134 1 444 . 1 1 100 100 LEU H H 1 8.329 0.001 11 1 . . . . 100 L H . 19134 1 445 . 1 1 100 100 LEU C C 13 177.127 0.008 3 1 . . . . 100 L C . 19134 1 446 . 1 1 100 100 LEU CA C 13 54.799 0.135 2 1 . . . . 100 L CA . 19134 1 447 . 1 1 100 100 LEU CB C 13 41.608 0.164 2 1 . . . . 100 L CB . 19134 1 448 . 1 1 100 100 LEU N N 15 123.970 0.026 11 1 . . . . 100 L N . 19134 1 449 . 1 1 101 101 LEU H H 1 8.414 0.003 11 1 . . . . 101 L H . 19134 1 450 . 1 1 101 101 LEU C C 13 177.297 0.002 3 1 . . . . 101 L C . 19134 1 451 . 1 1 101 101 LEU CA C 13 54.710 0.125 3 1 . . . . 101 L CA . 19134 1 452 . 1 1 101 101 LEU CB C 13 41.260 0.022 3 1 . . . . 101 L CB . 19134 1 453 . 1 1 101 101 LEU N N 15 123.076 0.037 11 1 . . . . 101 L N . 19134 1 454 . 1 1 102 102 ILE H H 1 8.493 0.001 12 1 . . . . 102 I H . 19134 1 455 . 1 1 102 102 ILE C C 13 176.852 0.013 3 1 . . . . 102 I C . 19134 1 456 . 1 1 102 102 ILE CA C 13 61.053 0.100 3 1 . . . . 102 I CA . 19134 1 457 . 1 1 102 102 ILE CB C 13 38.063 0.066 3 1 . . . . 102 I CB . 19134 1 458 . 1 1 102 102 ILE N N 15 122.684 0.021 12 1 . . . . 102 I N . 19134 1 459 . 1 1 103 103 GLY H H 1 8.683 0.002 11 1 . . . . 103 G H . 19134 1 460 . 1 1 103 103 GLY C C 13 174.232 0.004 3 1 . . . . 103 G C . 19134 1 461 . 1 1 103 103 GLY CA C 13 44.730 0.035 2 1 . . . . 103 G CA . 19134 1 462 . 1 1 103 103 GLY N N 15 113.164 0.025 11 1 . . . . 103 G N . 19134 1 463 . 1 1 104 104 GLY H H 1 8.327 0.001 9 1 . . . . 104 G H . 19134 1 464 . 1 1 104 104 GLY C C 13 172.029 0.000 1 1 . . . . 104 G C . 19134 1 465 . 1 1 104 104 GLY CA C 13 44.364 0.086 2 1 . . . . 104 G CA . 19134 1 466 . 1 1 104 104 GLY N N 15 108.501 0.029 9 1 . . . . 104 G N . 19134 1 467 . 1 1 105 105 PRO C C 13 177.325 0.006 2 1 . . . . 105 P C . 19134 1 468 . 1 1 105 105 PRO CA C 13 63.213 0.080 2 1 . . . . 105 P CA . 19134 1 469 . 1 1 105 105 PRO CB C 13 31.523 0.162 2 1 . . . . 105 P CB . 19134 1 470 . 1 1 106 106 GLU H H 1 8.876 0.001 11 1 . . . . 106 E H . 19134 1 471 . 1 1 106 106 GLU C C 13 177.170 0.028 3 1 . . . . 106 E C . 19134 1 472 . 1 1 106 106 GLU CA C 13 56.563 0.076 3 1 . . . . 106 E CA . 19134 1 473 . 1 1 106 106 GLU CB C 13 29.578 0.081 3 1 . . . . 106 E CB . 19134 1 474 . 1 1 106 106 GLU N N 15 120.732 0.025 11 1 . . . . 106 E N . 19134 1 475 . 1 1 107 107 GLY H H 1 8.463 0.001 11 1 . . . . 107 G H . 19134 1 476 . 1 1 107 107 GLY C C 13 173.918 0.003 3 1 . . . . 107 G C . 19134 1 477 . 1 1 107 107 GLY CA C 13 44.964 0.031 3 1 . . . . 107 G CA . 19134 1 478 . 1 1 107 107 GLY N N 15 109.404 0.027 11 1 . . . . 107 G N . 19134 1 479 . 1 1 108 108 LEU H H 1 8.308 0.002 10 1 . . . . 108 L H . 19134 1 480 . 1 1 108 108 LEU C C 13 177.547 0.002 3 1 . . . . 108 L C . 19134 1 481 . 1 1 108 108 LEU CA C 13 54.627 0.066 3 1 . . . . 108 L CA . 19134 1 482 . 1 1 108 108 LEU CB C 13 41.863 0.034 3 1 . . . . 108 L CB . 19134 1 483 . 1 1 108 108 LEU N N 15 121.385 0.025 10 1 . . . . 108 L N . 19134 1 484 . 1 1 109 109 SER H H 1 8.736 0.002 13 1 . . . . 109 S H . 19134 1 485 . 1 1 109 109 SER C C 13 172.839 0.000 1 1 . . . . 109 S C . 19134 1 486 . 1 1 109 109 SER CA C 13 56.498 0.084 2 1 . . . . 109 S CA . 19134 1 487 . 1 1 109 109 SER CB C 13 62.609 0.000 1 1 . . . . 109 S CB . 19134 1 488 . 1 1 109 109 SER N N 15 118.916 0.024 13 1 . . . . 109 S N . 19134 1 489 . 1 1 110 110 PRO C C 13 176.823 0.022 2 1 . . . . 110 P C . 19134 1 490 . 1 1 110 110 PRO CA C 13 55.390 3.739 2 1 . . . . 110 P CA . 19134 1 491 . 1 1 110 110 PRO CB C 13 31.712 0.000 1 1 . . . . 110 P CB . 19134 1 492 . 1 1 111 111 ALA H H 1 8.555 0.002 11 1 . . . . 111 A H . 19134 1 493 . 1 1 111 111 ALA C C 13 177.925 0.008 3 1 . . . . 111 A C . 19134 1 494 . 1 1 111 111 ALA CA C 13 52.582 0.098 3 1 . . . . 111 A CA . 19134 1 495 . 1 1 111 111 ALA CB C 13 18.576 0.075 3 1 . . . . 111 A CB . 19134 1 496 . 1 1 111 111 ALA N N 15 123.857 0.102 11 1 . . . . 111 A N . 19134 1 497 . 1 1 112 112 CYS H H 1 8.428 0.002 12 1 . . . . 112 C H . 19134 1 498 . 1 1 112 112 CYS C C 13 175.192 0.025 3 1 . . . . 112 C C . 19134 1 499 . 1 1 112 112 CYS CA C 13 58.931 0.058 2 1 . . . . 112 C CA . 19134 1 500 . 1 1 112 112 CYS CB C 13 27.948 0.123 2 1 . . . . 112 C CB . 19134 1 501 . 1 1 112 112 CYS N N 15 119.369 0.028 12 1 . . . . 112 C N . 19134 1 502 . 1 1 113 113 LYS H H 1 8.645 0.002 7 1 . . . . 113 K H . 19134 1 503 . 1 1 113 113 LYS C C 13 176.531 0.023 3 1 . . . . 113 K C . 19134 1 504 . 1 1 113 113 LYS CA C 13 56.390 0.190 2 1 . . . . 113 K CA . 19134 1 505 . 1 1 113 113 LYS CB C 13 32.468 0.111 2 1 . . . . 113 K CB . 19134 1 506 . 1 1 113 113 LYS N N 15 124.556 0.045 7 1 . . . . 113 K N . 19134 1 507 . 1 1 114 114 ALA H H 1 8.619 0.001 12 1 . . . . 114 A H . 19134 1 508 . 1 1 114 114 ALA C C 13 177.780 0.004 3 1 . . . . 114 A C . 19134 1 509 . 1 1 114 114 ALA CA C 13 52.478 0.000 1 1 . . . . 114 A CA . 19134 1 510 . 1 1 114 114 ALA CB C 13 18.477 0.000 1 1 . . . . 114 A CB . 19134 1 511 . 1 1 114 114 ALA N N 15 125.459 0.069 12 1 . . . . 114 A N . 19134 1 512 . 1 1 115 115 ALA H H 1 8.485 0.001 6 5 . . . . 115 A H . 19134 1 513 . 1 1 115 115 ALA C C 13 177.853 0.007 3 5 . . . . 115 A C . 19134 1 514 . 1 1 115 115 ALA CA C 13 52.379 0.000 1 5 . . . . 115 A CA . 19134 1 515 . 1 1 115 115 ALA CB C 13 18.666 0.000 1 5 . . . . 115 A CB . 19134 1 516 . 1 1 115 115 ALA N N 15 123.487 0.016 6 5 . . . . 115 A N . 19134 1 517 . 1 1 116 116 ALA H H 1 8.433 0.004 8 1 . . . . 116 A H . 19134 1 518 . 1 1 116 116 ALA C C 13 178.021 0.036 3 1 . . . . 116 A C . 19134 1 519 . 1 1 116 116 ALA CA C 13 52.387 0.036 2 1 . . . . 116 A CA . 19134 1 520 . 1 1 116 116 ALA CB C 13 18.636 0.115 2 1 . . . . 116 A CB . 19134 1 521 . 1 1 116 116 ALA N N 15 123.058 0.020 8 1 . . . . 116 A N . 19134 1 522 . 1 1 117 117 GLU H H 1 8.503 0.001 11 1 . . . . 117 E H . 19134 1 523 . 1 1 117 117 GLU C C 13 176.737 0.005 3 1 . . . . 117 E C . 19134 1 524 . 1 1 117 117 GLU CA C 13 56.211 0.000 1 1 . . . . 117 E CA . 19134 1 525 . 1 1 117 117 GLU CB C 13 29.613 0.001 2 1 . . . . 117 E CB . 19134 1 526 . 1 1 117 117 GLU N N 15 119.983 0.022 11 1 . . . . 117 E N . 19134 1 527 . 1 1 118 118 GLN H H 1 8.538 0.003 9 1 . . . . 118 Q H . 19134 1 528 . 1 1 118 118 GLN C C 13 176.115 0.017 3 1 . . . . 118 Q C . 19134 1 529 . 1 1 118 118 GLN CA C 13 55.522 0.164 2 1 . . . . 118 Q CA . 19134 1 530 . 1 1 118 118 GLN CB C 13 28.854 0.059 3 1 . . . . 118 Q CB . 19134 1 531 . 1 1 118 118 GLN N N 15 121.150 0.032 9 1 . . . . 118 Q N . 19134 1 532 . 1 1 119 119 SER H H 1 8.534 0.001 12 1 . . . . 119 S H . 19134 1 533 . 1 1 119 119 SER C C 13 174.486 0.003 2 1 . . . . 119 S C . 19134 1 534 . 1 1 119 119 SER CA C 13 58.162 0.105 2 1 . . . . 119 S CA . 19134 1 535 . 1 1 119 119 SER CB C 13 63.179 0.098 3 1 . . . . 119 S CB . 19134 1 536 . 1 1 119 119 SER N N 15 116.985 0.024 12 1 . . . . 119 S N . 19134 1 537 . 1 1 120 120 TRP H H 1 8.365 0.003 10 1 . . . . 120 W H . 19134 1 538 . 1 1 120 120 TRP C C 13 176.293 0.014 3 1 . . . . 120 W C . 19134 1 539 . 1 1 120 120 TRP CA C 13 57.083 0.000 1 1 . . . . 120 W CA . 19134 1 540 . 1 1 120 120 TRP CB C 13 29.218 0.000 1 1 . . . . 120 W CB . 19134 1 541 . 1 1 120 120 TRP N N 15 123.126 0.018 10 1 . . . . 120 W N . 19134 1 542 . 1 1 121 121 SER H H 1 8.361 0.002 8 1 . . . . 121 S H . 19134 1 543 . 1 1 121 121 SER C C 13 174.655 0.017 3 1 . . . . 121 S C . 19134 1 544 . 1 1 121 121 SER CA C 13 57.797 0.000 1 1 . . . . 121 S CA . 19134 1 545 . 1 1 121 121 SER CB C 13 63.380 0.000 1 1 . . . . 121 S CB . 19134 1 546 . 1 1 121 121 SER N N 15 116.987 0.083 8 1 . . . . 121 S N . 19134 1 547 . 1 1 122 122 LEU H H 1 8.436 0.001 6 1 . . . . 122 L H . 19134 1 548 . 1 1 122 122 LEU C C 13 177.738 0.002 3 1 . . . . 122 L C . 19134 1 549 . 1 1 122 122 LEU CA C 13 54.933 0.000 1 1 . . . . 122 L CA . 19134 1 550 . 1 1 122 122 LEU CB C 13 41.389 0.056 2 1 . . . . 122 L CB . 19134 1 551 . 1 1 122 122 LEU N N 15 124.354 0.021 6 1 . . . . 122 L N . 19134 1 552 . 1 1 123 123 SER H H 1 8.473 0.002 11 1 . . . . 123 S H . 19134 1 553 . 1 1 123 123 SER C C 13 174.479 0.007 3 1 . . . . 123 S C . 19134 1 554 . 1 1 123 123 SER CA C 13 58.180 0.109 3 1 . . . . 123 S CA . 19134 1 555 . 1 1 123 123 SER CB C 13 63.255 0.064 3 1 . . . . 123 S CB . 19134 1 556 . 1 1 123 123 SER N N 15 116.260 0.023 11 1 . . . . 123 S N . 19134 1 557 . 1 1 124 124 ALA H H 1 8.452 0.001 12 1 . . . . 124 A H . 19134 1 558 . 1 1 124 124 ALA C C 13 177.681 0.003 3 1 . . . . 124 A C . 19134 1 559 . 1 1 124 124 ALA CA C 13 52.444 0.073 3 1 . . . . 124 A CA . 19134 1 560 . 1 1 124 124 ALA CB C 13 18.599 0.084 3 1 . . . . 124 A CB . 19134 1 561 . 1 1 124 124 ALA N N 15 125.776 0.020 12 1 . . . . 124 A N . 19134 1 562 . 1 1 125 125 LEU H H 1 8.351 0.001 12 1 . . . . 125 L H . 19134 1 563 . 1 1 125 125 LEU C C 13 177.638 0.007 3 1 . . . . 125 L C . 19134 1 564 . 1 1 125 125 LEU CA C 13 54.939 0.166 3 1 . . . . 125 L CA . 19134 1 565 . 1 1 125 125 LEU CB C 13 41.570 0.062 3 1 . . . . 125 L CB . 19134 1 566 . 1 1 125 125 LEU N N 15 120.912 0.029 12 1 . . . . 125 L N . 19134 1 567 . 1 1 126 126 THR H H 1 8.343 0.002 12 1 . . . . 126 T H . 19134 1 568 . 1 1 126 126 THR C C 13 174.394 0.013 3 1 . . . . 126 T C . 19134 1 569 . 1 1 126 126 THR CA C 13 61.407 0.055 3 1 . . . . 126 T CA . 19134 1 570 . 1 1 126 126 THR CB C 13 69.642 0.089 3 1 . . . . 126 T CB . 19134 1 571 . 1 1 126 126 THR N N 15 115.428 0.033 12 1 . . . . 126 T N . 19134 1 572 . 1 1 127 127 LEU H H 1 8.541 0.001 12 1 . . . . 127 L H . 19134 1 573 . 1 1 127 127 LEU C C 13 175.250 0.000 1 1 . . . . 127 L C . 19134 1 574 . 1 1 127 127 LEU CA C 13 52.907 0.000 1 1 . . . . 127 L CA . 19134 1 575 . 1 1 127 127 LEU CB C 13 40.990 0.000 1 1 . . . . 127 L CB . 19134 1 576 . 1 1 127 127 LEU N N 15 125.833 0.019 12 1 . . . . 127 L N . 19134 1 577 . 1 1 132 132 VAL C C 13 176.488 0.001 2 1 . . . . 132 V C . 19134 1 578 . 1 1 132 132 VAL CA C 13 55.841 0.048 2 1 . . . . 132 V CA . 19134 1 579 . 1 1 132 132 VAL CB C 13 32.380 0.015 2 1 . . . . 132 V CB . 19134 1 580 . 1 1 133 133 ARG H H 1 8.705 0.001 12 1 . . . . 133 R H . 19134 1 581 . 1 1 133 133 ARG C C 13 177.300 0.009 3 1 . . . . 133 R C . 19134 1 582 . 1 1 133 133 ARG CA C 13 54.656 0.057 4 1 . . . . 133 R CA . 19134 1 583 . 1 1 133 133 ARG CB C 13 41.674 0.098 3 1 . . . . 133 R CB . 19134 1 584 . 1 1 133 133 ARG N N 15 125.040 0.018 12 1 . . . . 133 R N . 19134 1 585 . 1 1 134 134 VAL H H 1 8.858 0.001 12 1 . . . . 134 V H . 19134 1 586 . 1 1 134 134 VAL C C 13 175.826 0.019 3 1 . . . . 134 V C . 19134 1 587 . 1 1 134 134 VAL CA C 13 55.180 0.130 4 1 . . . . 134 V CA . 19134 1 588 . 1 1 134 134 VAL CB C 13 28.786 0.047 3 1 . . . . 134 V CB . 19134 1 589 . 1 1 134 134 VAL N N 15 122.631 0.020 12 1 . . . . 134 V N . 19134 1 590 . 1 1 135 135 LEU H H 1 8.619 0.001 13 1 . . . . 135 L H . 19134 1 591 . 1 1 135 135 LEU C C 13 177.295 0.004 3 1 . . . . 135 L C . 19134 1 592 . 1 1 135 135 LEU CA C 13 54.916 0.180 2 1 . . . . 135 L CA . 19134 1 593 . 1 1 135 135 LEU CB C 13 41.463 0.000 1 1 . . . . 135 L CB . 19134 1 594 . 1 1 135 135 LEU N N 15 124.838 0.036 13 1 . . . . 135 L N . 19134 1 595 . 1 1 136 136 VAL H H 1 8.515 0.001 9 1 . . . . 136 V H . 19134 1 596 . 1 1 136 136 VAL C C 13 175.812 0.000 3 1 . . . . 136 V C . 19134 1 597 . 1 1 136 136 VAL CA C 13 61.645 0.080 4 1 . . . . 136 V CA . 19134 1 598 . 1 1 136 136 VAL CB C 13 32.264 0.023 3 1 . . . . 136 V CB . 19134 1 599 . 1 1 136 136 VAL N N 15 121.842 0.033 9 1 . . . . 136 V N . 19134 1 600 . 1 1 137 137 ALA H H 1 8.634 0.002 12 1 . . . . 137 A H . 19134 1 601 . 1 1 137 137 ALA C C 13 177.700 0.010 3 1 . . . . 137 A C . 19134 1 602 . 1 1 137 137 ALA CA C 13 52.310 0.179 3 1 . . . . 137 A CA . 19134 1 603 . 1 1 137 137 ALA CB C 13 18.546 0.083 3 1 . . . . 137 A CB . 19134 1 604 . 1 1 137 137 ALA N N 15 128.339 0.028 12 1 . . . . 137 A N . 19134 1 605 . 1 1 138 138 GLU H H 1 8.650 0.002 12 1 . . . . 138 E H . 19134 1 606 . 1 1 138 138 GLU C C 13 176.691 0.025 3 1 . . . . 138 E C . 19134 1 607 . 1 1 138 138 GLU CA C 13 56.291 0.188 3 1 . . . . 138 E CA . 19134 1 608 . 1 1 138 138 GLU CB C 13 29.772 0.024 3 1 . . . . 138 E CB . 19134 1 609 . 1 1 138 138 GLU N N 15 120.818 0.043 12 1 . . . . 138 E N . 19134 1 610 . 1 1 139 139 SER H H 1 8.587 0.001 11 1 . . . . 139 S H . 19134 1 611 . 1 1 139 139 SER C C 13 174.695 0.000 2 1 . . . . 139 S C . 19134 1 612 . 1 1 139 139 SER CA C 13 58.016 0.115 3 1 . . . . 139 S CA . 19134 1 613 . 1 1 139 139 SER CB C 13 63.201 0.055 3 1 . . . . 139 S CB . 19134 1 614 . 1 1 139 139 SER N N 15 116.760 0.025 11 1 . . . . 139 S N . 19134 1 615 . 1 1 140 140 LEU H H 1 8.446 0.003 12 1 . . . . 140 L H . 19134 1 616 . 1 1 140 140 LEU C C 13 177.078 0.007 3 1 . . . . 140 L C . 19134 1 617 . 1 1 140 140 LEU CA C 13 55.082 0.159 2 1 . . . . 140 L CA . 19134 1 618 . 1 1 140 140 LEU CB C 13 41.542 0.055 2 1 . . . . 140 L CB . 19134 1 619 . 1 1 140 140 LEU N N 15 124.446 0.033 12 1 . . . . 140 L N . 19134 1 620 . 1 1 141 141 TYR H H 1 8.382 0.002 9 1 . . . . 141 Y H . 19134 1 621 . 1 1 141 141 TYR C C 13 175.678 0.008 3 1 . . . . 141 Y C . 19134 1 622 . 1 1 141 141 TYR CA C 13 57.764 0.141 2 1 . . . . 141 Y CA . 19134 1 623 . 1 1 141 141 TYR CB C 13 38.099 0.032 3 1 . . . . 141 Y CB . 19134 1 624 . 1 1 141 141 TYR N N 15 121.031 0.029 9 1 . . . . 141 Y N . 19134 1 625 . 1 1 142 142 ARG H H 1 8.379 0.002 12 1 . . . . 142 R H . 19134 1 626 . 1 1 142 142 ARG C C 13 175.493 0.004 3 1 . . . . 142 R C . 19134 1 627 . 1 1 142 142 ARG CA C 13 55.169 0.163 3 1 . . . . 142 R CA . 19134 1 628 . 1 1 142 142 ARG CB C 13 30.207 0.039 3 1 . . . . 142 R CB . 19134 1 629 . 1 1 142 142 ARG N N 15 124.225 0.024 12 1 . . . . 142 R N . 19134 1 630 . 1 1 143 143 ALA H H 1 8.431 0.002 12 1 . . . . 143 A H . 19134 1 631 . 1 1 143 143 ALA C C 13 177.415 0.008 3 1 . . . . 143 A C . 19134 1 632 . 1 1 143 143 ALA CA C 13 52.212 0.085 3 1 . . . . 143 A CA . 19134 1 633 . 1 1 143 143 ALA CB C 13 18.554 0.108 3 1 . . . . 143 A CB . 19134 1 634 . 1 1 143 143 ALA N N 15 125.742 0.021 12 1 . . . . 143 A N . 19134 1 635 . 1 1 144 144 TRP H H 1 8.297 0.004 12 1 . . . . 144 W H . 19134 1 636 . 1 1 144 144 TRP C C 13 176.237 0.009 3 1 . . . . 144 W C . 19134 1 637 . 1 1 144 144 TRP CA C 13 56.817 0.133 3 1 . . . . 144 W CA . 19134 1 638 . 1 1 144 144 TRP CB C 13 29.135 0.109 3 1 . . . . 144 W CB . 19134 1 639 . 1 1 144 144 TRP N N 15 120.361 0.014 12 1 . . . . 144 W N . 19134 1 640 . 1 1 145 145 SER H H 1 8.364 0.002 12 1 . . . . 145 S H . 19134 1 641 . 1 1 145 145 SER C C 13 174.224 0.015 3 1 . . . . 145 S C . 19134 1 642 . 1 1 145 145 SER CA C 13 57.712 0.097 3 1 . . . . 145 S CA . 19134 1 643 . 1 1 145 145 SER CB C 13 63.411 0.040 3 1 . . . . 145 S CB . 19134 1 644 . 1 1 145 145 SER N N 15 117.292 0.078 12 1 . . . . 145 S N . 19134 1 645 . 1 1 146 146 ILE H H 1 8.391 0.001 12 1 . . . . 146 I H . 19134 1 646 . 1 1 146 146 ILE C C 13 176.502 0.008 3 1 . . . . 146 I C . 19134 1 647 . 1 1 146 146 ILE CA C 13 61.118 0.142 2 1 . . . . 146 I CA . 19134 1 648 . 1 1 146 146 ILE CB C 13 38.255 0.037 3 1 . . . . 146 I CB . 19134 1 649 . 1 1 146 146 ILE N N 15 122.567 0.019 12 1 . . . . 146 I N . 19134 1 650 . 1 1 147 147 THR H H 1 8.432 0.001 10 1 . . . . 147 T H . 19134 1 651 . 1 1 147 147 THR C C 13 174.726 0.023 3 1 . . . . 147 T C . 19134 1 652 . 1 1 147 147 THR CA C 13 61.384 0.051 3 1 . . . . 147 T CA . 19134 1 653 . 1 1 147 147 THR CB C 13 69.562 0.074 2 1 . . . . 147 T CB . 19134 1 654 . 1 1 147 147 THR N N 15 117.619 0.017 10 1 . . . . 147 T N . 19134 1 655 . 1 1 148 148 THR H H 1 8.352 0.002 10 1 . . . . 148 T H . 19134 1 656 . 1 1 148 148 THR C C 13 174.146 0.015 3 1 . . . . 148 T C . 19134 1 657 . 1 1 148 148 THR CA C 13 61.310 0.000 1 1 . . . . 148 T CA . 19134 1 658 . 1 1 148 148 THR CB C 13 69.556 0.057 2 1 . . . . 148 T CB . 19134 1 659 . 1 1 148 148 THR N N 15 116.013 0.023 10 1 . . . . 148 T N . 19134 1 660 . 1 1 149 149 ASN H H 1 8.635 0.002 11 1 . . . . 149 N H . 19134 1 661 . 1 1 149 149 ASN C C 13 174.583 0.004 3 1 . . . . 149 N C . 19134 1 662 . 1 1 149 149 ASN CA C 13 52.733 0.038 2 1 . . . . 149 N CA . 19134 1 663 . 1 1 149 149 ASN CB C 13 38.459 0.061 3 1 . . . . 149 N CB . 19134 1 664 . 1 1 149 149 ASN N N 15 121.038 0.087 11 1 . . . . 149 N N . 19134 1 665 . 1 1 150 150 HIS H H 1 8.481 0.002 11 1 . . . . 150 H H . 19134 1 666 . 1 1 150 150 HIS C C 13 174.062 0.000 1 1 . . . . 150 H C . 19134 1 667 . 1 1 150 150 HIS CA C 13 54.813 0.000 1 1 . . . . 150 H CA . 19134 1 668 . 1 1 150 150 HIS CB C 13 30.392 0.000 1 1 . . . . 150 H CB . 19134 1 669 . 1 1 150 150 HIS N N 15 121.874 0.022 11 1 . . . . 150 H N . 19134 1 670 . 1 1 151 151 PRO C C 13 176.526 0.007 2 1 . . . . 151 P C . 19134 1 671 . 1 1 151 151 PRO CA C 13 63.133 0.058 2 1 . . . . 151 P CA . 19134 1 672 . 1 1 151 151 PRO CB C 13 31.252 0.083 3 1 . . . . 151 P CB . 19134 1 673 . 1 1 152 152 TYR H H 1 8.716 0.003 13 1 . . . . 152 Y H . 19134 1 674 . 1 1 152 152 TYR C C 13 175.620 0.008 3 1 . . . . 152 Y C . 19134 1 675 . 1 1 152 152 TYR CA C 13 57.653 0.042 2 1 . . . . 152 Y CA . 19134 1 676 . 1 1 152 152 TYR CB C 13 38.192 0.009 2 1 . . . . 152 Y CB . 19134 1 677 . 1 1 152 152 TYR N N 15 120.703 0.086 13 1 . . . . 152 Y N . 19134 1 678 . 1 1 153 153 HIS H H 1 8.436 0.001 11 1 . . . . 153 H H . 19134 1 679 . 1 1 153 153 HIS C C 13 174.876 0.007 3 1 . . . . 153 H C . 19134 1 680 . 1 1 153 153 HIS CA C 13 56.334 0.149 2 1 . . . . 153 H CA . 19134 1 681 . 1 1 153 153 HIS CB C 13 30.982 0.015 3 1 . . . . 153 H CB . 19134 1 682 . 1 1 153 153 HIS N N 15 122.511 0.024 11 1 . . . . 153 H N . 19134 1 683 . 1 1 154 154 ARG H H 1 8.416 0.001 11 1 . . . . 154 R H . 19134 1 684 . 1 1 154 154 ARG C C 13 175.196 0.007 4 1 . . . . 154 R C . 19134 1 685 . 1 1 154 154 ARG CA C 13 55.673 0.084 3 1 . . . . 154 R CA . 19134 1 686 . 1 1 154 154 ARG CB C 13 30.533 0.098 2 1 . . . . 154 R CB . 19134 1 687 . 1 1 154 154 ARG N N 15 124.229 0.025 11 1 . . . . 154 R N . 19134 1 688 . 1 1 155 155 GLU H H 1 8.392 0.001 11 1 . . . . 155 E H . 19134 1 689 . 1 1 155 155 GLU C C 13 181.353 0.000 1 1 . . . . 155 E C . 19134 1 690 . 1 1 155 155 GLU CA C 13 58.016 0.000 1 1 . . . . 155 E CA . 19134 1 691 . 1 1 155 155 GLU CB C 13 30.299 0.000 1 1 . . . . 155 E CB . 19134 1 692 . 1 1 155 155 GLU N N 15 127.922 0.022 11 1 . . . . 155 E N . 19134 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 280 19134 1 1 512 19134 1 2 281 19134 1 2 513 19134 1 3 282 19134 1 3 514 19134 1 4 283 19134 1 4 515 19134 1 5 284 19134 1 5 516 19134 1 stop_ save_