data_53993 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53993 _Entry.Title ; dGAE in complex with DC11 FAB ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2026-08-24 _Entry.Accession_date 2026-08-24 _Entry.Last_release_date 2026-08-24 _Entry.Original_release_date 2026-08-24 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details ; Funding: EU NextGenerationEU project n. 09I03-03-V04-00623. This entry contains 1H, 13C and 15N data from NMR monitored titration of the tau 2N4R fragment dGAE (297-391) with DC11 FAB. ; _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Leon Jenner . P. . 0000-0002-9657-4783 53993 2 Viliam Volko . . . 0009-0004-9669-1973 53993 3 Stefana Njemoga . . . 0000-0001-9440-4820 53993 4 Pavel Kaderavek . . . 0000-0002-3561-354X 53993 5 Jozef Hritz . . . 0000-0002-4512-9241 53993 6 Ondrej Cehlar . . . 0000-0002-1996-6812 53993 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Masaryk University - Central European Institute of Technology, National Centre for Biomolecular Research' . 53993 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 4 53993 spectral_peak_list 4 53993 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 360 53993 '15N chemical shifts' 360 53993 '1H chemical shifts' 360 53993 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2026-09-21 2026-08-24 update author 'add funding information' 53993 1 . . 2026-08-27 2026-08-24 original author 'original release' 53993 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 53992 'Backbone and aliphatic side-chain chemical shift assignment for dGAE(297-391) tau' 53993 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53993 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structure and epitope mapping of the conformational anti tau antibody DC11 Fab ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Stefana Njemoga . . . . 53993 1 2 Leon Jenner . P. . . 53993 1 3 Viliam Volko . . . . 53993 1 4 Adam Polak . . . . 53993 1 5 Lubica Fialova . . . . 53993 1 6 Tomas Augustin . . . . 53993 1 7 Jozef Hanes . . . . 53993 1 8 Rostislav Skrabana . . . . 53993 1 9 Aneta Kozelekova . . . . 53993 1 10 Lucia Ilkovicova . . . . 53993 1 11 Radek Crha . . . . 53993 1 12 Pavel Kaderavek . . . . 53993 1 13 Branislav Kovacech . . . . 53993 1 14 Jozef Hritz . . . . 53993 1 15 Ondrej Cehlar . . . . 53993 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53993 _Assembly.ID 1 _Assembly.Name 'dGAE:DC11 complex' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 dGAE 1 $entity_1 . . yes native no no . . . 53993 1 2 'DC11 FAB (Heavy Chain)' 2 $entity_2 . . no native no no . . . 53993 1 3 'DC11 FAB (Light Chain)' 3 $entity_3 . . no native no no . . . 53993 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53993 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MIKHVPGGGSVQIVYKPVDL SKVTSKCGSLGNIHHKPGGG QVEVKSEKLDFKDRVQSKIG SLDNITHVPGGGNKKIETHK LTFRENAKAKTDHGAE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'The dGAE sequence starts with M296 and ends with E391' _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 96 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'dGAE is a fragment of human Tau protein 2N4R spanning residues I297-E391' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 . 53993 1 2 . ILE . 53993 1 3 . LYS . 53993 1 4 . HIS . 53993 1 5 . VAL . 53993 1 6 . PRO . 53993 1 7 . GLY . 53993 1 8 . GLY . 53993 1 9 . GLY . 53993 1 10 . SER . 53993 1 11 . VAL . 53993 1 12 . GLN . 53993 1 13 . ILE . 53993 1 14 . VAL . 53993 1 15 . TYR . 53993 1 16 . LYS . 53993 1 17 . PRO . 53993 1 18 . VAL . 53993 1 19 . ASP . 53993 1 20 . LEU . 53993 1 21 . SER . 53993 1 22 . LYS . 53993 1 23 . VAL . 53993 1 24 . THR . 53993 1 25 . SER . 53993 1 26 . LYS . 53993 1 27 . CYS . 53993 1 28 . GLY . 53993 1 29 . SER . 53993 1 30 . LEU . 53993 1 31 . GLY . 53993 1 32 . ASN . 53993 1 33 . ILE . 53993 1 34 . HIS . 53993 1 35 . HIS . 53993 1 36 . LYS . 53993 1 37 . PRO . 53993 1 38 . GLY . 53993 1 39 . GLY . 53993 1 40 . GLY . 53993 1 41 . GLN . 53993 1 42 . VAL . 53993 1 43 . GLU . 53993 1 44 . VAL . 53993 1 45 . LYS . 53993 1 46 . SER . 53993 1 47 . GLU . 53993 1 48 . LYS . 53993 1 49 . LEU . 53993 1 50 . ASP . 53993 1 51 . PHE . 53993 1 52 . LYS . 53993 1 53 . ASP . 53993 1 54 . ARG . 53993 1 55 . VAL . 53993 1 56 . GLN . 53993 1 57 . SER . 53993 1 58 . LYS . 53993 1 59 . ILE . 53993 1 60 . GLY . 53993 1 61 . SER . 53993 1 62 . LEU . 53993 1 63 . ASP . 53993 1 64 . ASN . 53993 1 65 . ILE . 53993 1 66 . THR . 53993 1 67 . HIS . 53993 1 68 . VAL . 53993 1 69 . PRO . 53993 1 70 . GLY . 53993 1 71 . GLY . 53993 1 72 . GLY . 53993 1 73 . ASN . 53993 1 74 . LYS . 53993 1 75 . LYS . 53993 1 76 . ILE . 53993 1 77 . GLU . 53993 1 78 . THR . 53993 1 79 . HIS . 53993 1 80 . LYS . 53993 1 81 . LEU . 53993 1 82 . THR . 53993 1 83 . PHE . 53993 1 84 . ARG . 53993 1 85 . GLU . 53993 1 86 . ASN . 53993 1 87 . ALA . 53993 1 88 . LYS . 53993 1 89 . ALA . 53993 1 90 . LYS . 53993 1 91 . THR . 53993 1 92 . ASP . 53993 1 93 . HIS . 53993 1 94 . GLY . 53993 1 95 . ALA . 53993 1 96 . GLU . 53993 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 53993 1 . ILE 2 2 53993 1 . LYS 3 3 53993 1 . HIS 4 4 53993 1 . VAL 5 5 53993 1 . PRO 6 6 53993 1 . GLY 7 7 53993 1 . GLY 8 8 53993 1 . GLY 9 9 53993 1 . SER 10 10 53993 1 . VAL 11 11 53993 1 . GLN 12 12 53993 1 . ILE 13 13 53993 1 . VAL 14 14 53993 1 . TYR 15 15 53993 1 . LYS 16 16 53993 1 . PRO 17 17 53993 1 . VAL 18 18 53993 1 . ASP 19 19 53993 1 . LEU 20 20 53993 1 . SER 21 21 53993 1 . LYS 22 22 53993 1 . VAL 23 23 53993 1 . THR 24 24 53993 1 . SER 25 25 53993 1 . LYS 26 26 53993 1 . CYS 27 27 53993 1 . GLY 28 28 53993 1 . SER 29 29 53993 1 . LEU 30 30 53993 1 . GLY 31 31 53993 1 . ASN 32 32 53993 1 . ILE 33 33 53993 1 . HIS 34 34 53993 1 . HIS 35 35 53993 1 . LYS 36 36 53993 1 . PRO 37 37 53993 1 . GLY 38 38 53993 1 . GLY 39 39 53993 1 . GLY 40 40 53993 1 . GLN 41 41 53993 1 . VAL 42 42 53993 1 . GLU 43 43 53993 1 . VAL 44 44 53993 1 . LYS 45 45 53993 1 . SER 46 46 53993 1 . GLU 47 47 53993 1 . LYS 48 48 53993 1 . LEU 49 49 53993 1 . ASP 50 50 53993 1 . PHE 51 51 53993 1 . LYS 52 52 53993 1 . ASP 53 53 53993 1 . ARG 54 54 53993 1 . VAL 55 55 53993 1 . GLN 56 56 53993 1 . SER 57 57 53993 1 . LYS 58 58 53993 1 . ILE 59 59 53993 1 . GLY 60 60 53993 1 . SER 61 61 53993 1 . LEU 62 62 53993 1 . ASP 63 63 53993 1 . ASN 64 64 53993 1 . ILE 65 65 53993 1 . THR 66 66 53993 1 . HIS 67 67 53993 1 . VAL 68 68 53993 1 . PRO 69 69 53993 1 . GLY 70 70 53993 1 . GLY 71 71 53993 1 . GLY 72 72 53993 1 . ASN 73 73 53993 1 . LYS 74 74 53993 1 . LYS 75 75 53993 1 . ILE 76 76 53993 1 . GLU 77 77 53993 1 . THR 78 78 53993 1 . HIS 79 79 53993 1 . LYS 80 80 53993 1 . LEU 81 81 53993 1 . THR 82 82 53993 1 . PHE 83 83 53993 1 . ARG 84 84 53993 1 . GLU 85 85 53993 1 . ASN 86 86 53993 1 . ALA 87 87 53993 1 . LYS 88 88 53993 1 . ALA 89 89 53993 1 . LYS 90 90 53993 1 . THR 91 91 53993 1 . ASP 92 92 53993 1 . HIS 93 93 53993 1 . GLY 94 94 53993 1 . ALA 95 95 53993 1 . GLU 96 96 53993 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 53993 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _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 ; EVQLQQSGAELVRSGASVKL SCTASGFNIKDYYMHWVKQR PEQGLEWIGWIDPENADTEY APKFQGKATMTADTSSNTAY LQLSSLTSEDTAVYYCKTGD YWGQGTTLTVSSAKTTPPSV YPLAPGSAAQTNSMVTLGCL VKGYFPEPVTVTWNSGSLSS GVHTFPAVLQSDLYTLSSSV TVPSSTWPSETVTCNVAHPA SSTKVDKKIVPRDC ; _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 214 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 . GLU . 53993 2 2 . VAL . 53993 2 3 . GLN . 53993 2 4 . LEU . 53993 2 5 . GLN . 53993 2 6 . GLN . 53993 2 7 . SER . 53993 2 8 . GLY . 53993 2 9 . ALA . 53993 2 10 . GLU . 53993 2 11 . LEU . 53993 2 12 . VAL . 53993 2 13 . ARG . 53993 2 14 . SER . 53993 2 15 . GLY . 53993 2 16 . ALA . 53993 2 17 . SER . 53993 2 18 . VAL . 53993 2 19 . LYS . 53993 2 20 . LEU . 53993 2 21 . SER . 53993 2 22 . CYS . 53993 2 23 . THR . 53993 2 24 . ALA . 53993 2 25 . SER . 53993 2 26 . GLY . 53993 2 27 . PHE . 53993 2 28 . ASN . 53993 2 29 . ILE . 53993 2 30 . LYS . 53993 2 31 . ASP . 53993 2 32 . TYR . 53993 2 33 . TYR . 53993 2 34 . MET . 53993 2 35 . HIS . 53993 2 36 . TRP . 53993 2 37 . VAL . 53993 2 38 . LYS . 53993 2 39 . GLN . 53993 2 40 . ARG . 53993 2 41 . PRO . 53993 2 42 . GLU . 53993 2 43 . GLN . 53993 2 44 . GLY . 53993 2 45 . LEU . 53993 2 46 . GLU . 53993 2 47 . TRP . 53993 2 48 . ILE . 53993 2 49 . GLY . 53993 2 50 . TRP . 53993 2 51 . ILE . 53993 2 52 . ASP . 53993 2 53 . PRO . 53993 2 54 . GLU . 53993 2 55 . ASN . 53993 2 56 . ALA . 53993 2 57 . ASP . 53993 2 58 . THR . 53993 2 59 . GLU . 53993 2 60 . TYR . 53993 2 61 . ALA . 53993 2 62 . PRO . 53993 2 63 . LYS . 53993 2 64 . PHE . 53993 2 65 . GLN . 53993 2 66 . GLY . 53993 2 67 . LYS . 53993 2 68 . ALA . 53993 2 69 . THR . 53993 2 70 . MET . 53993 2 71 . THR . 53993 2 72 . ALA . 53993 2 73 . ASP . 53993 2 74 . THR . 53993 2 75 . SER . 53993 2 76 . SER . 53993 2 77 . ASN . 53993 2 78 . THR . 53993 2 79 . ALA . 53993 2 80 . TYR . 53993 2 81 . LEU . 53993 2 82 . GLN . 53993 2 83 . LEU . 53993 2 84 . SER . 53993 2 85 . SER . 53993 2 86 . LEU . 53993 2 87 . THR . 53993 2 88 . SER . 53993 2 89 . GLU . 53993 2 90 . ASP . 53993 2 91 . THR . 53993 2 92 . ALA . 53993 2 93 . VAL . 53993 2 94 . TYR . 53993 2 95 . TYR . 53993 2 96 . CYS . 53993 2 97 . LYS . 53993 2 98 . THR . 53993 2 99 . GLY . 53993 2 100 . ASP . 53993 2 101 . TYR . 53993 2 102 . TRP . 53993 2 103 . GLY . 53993 2 104 . GLN . 53993 2 105 . GLY . 53993 2 106 . THR . 53993 2 107 . THR . 53993 2 108 . LEU . 53993 2 109 . THR . 53993 2 110 . VAL . 53993 2 111 . SER . 53993 2 112 . SER . 53993 2 113 . ALA . 53993 2 114 . LYS . 53993 2 115 . THR . 53993 2 116 . THR . 53993 2 117 . PRO . 53993 2 118 . PRO . 53993 2 119 . SER . 53993 2 120 . VAL . 53993 2 121 . TYR . 53993 2 122 . PRO . 53993 2 123 . LEU . 53993 2 124 . ALA . 53993 2 125 . PRO . 53993 2 126 . GLY . 53993 2 127 . SER . 53993 2 128 . ALA . 53993 2 129 . ALA . 53993 2 130 . GLN . 53993 2 131 . THR . 53993 2 132 . ASN . 53993 2 133 . SER . 53993 2 134 . MET . 53993 2 135 . VAL . 53993 2 136 . THR . 53993 2 137 . LEU . 53993 2 138 . GLY . 53993 2 139 . CYS . 53993 2 140 . LEU . 53993 2 141 . VAL . 53993 2 142 . LYS . 53993 2 143 . GLY . 53993 2 144 . TYR . 53993 2 145 . PHE . 53993 2 146 . PRO . 53993 2 147 . GLU . 53993 2 148 . PRO . 53993 2 149 . VAL . 53993 2 150 . THR . 53993 2 151 . VAL . 53993 2 152 . THR . 53993 2 153 . TRP . 53993 2 154 . ASN . 53993 2 155 . SER . 53993 2 156 . GLY . 53993 2 157 . SER . 53993 2 158 . LEU . 53993 2 159 . SER . 53993 2 160 . SER . 53993 2 161 . GLY . 53993 2 162 . VAL . 53993 2 163 . HIS . 53993 2 164 . THR . 53993 2 165 . PHE . 53993 2 166 . PRO . 53993 2 167 . ALA . 53993 2 168 . VAL . 53993 2 169 . LEU . 53993 2 170 . GLN . 53993 2 171 . SER . 53993 2 172 . ASP . 53993 2 173 . LEU . 53993 2 174 . TYR . 53993 2 175 . THR . 53993 2 176 . LEU . 53993 2 177 . SER . 53993 2 178 . SER . 53993 2 179 . SER . 53993 2 180 . VAL . 53993 2 181 . THR . 53993 2 182 . VAL . 53993 2 183 . PRO . 53993 2 184 . SER . 53993 2 185 . SER . 53993 2 186 . THR . 53993 2 187 . TRP . 53993 2 188 . PRO . 53993 2 189 . SER . 53993 2 190 . GLU . 53993 2 191 . THR . 53993 2 192 . VAL . 53993 2 193 . THR . 53993 2 194 . CYS . 53993 2 195 . ASN . 53993 2 196 . VAL . 53993 2 197 . ALA . 53993 2 198 . HIS . 53993 2 199 . PRO . 53993 2 200 . ALA . 53993 2 201 . SER . 53993 2 202 . SER . 53993 2 203 . THR . 53993 2 204 . LYS . 53993 2 205 . VAL . 53993 2 206 . ASP . 53993 2 207 . LYS . 53993 2 208 . LYS . 53993 2 209 . ILE . 53993 2 210 . VAL . 53993 2 211 . PRO . 53993 2 212 . ARG . 53993 2 213 . ASP . 53993 2 214 . CYS . 53993 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLU 1 1 53993 2 . VAL 2 2 53993 2 . GLN 3 3 53993 2 . LEU 4 4 53993 2 . GLN 5 5 53993 2 . GLN 6 6 53993 2 . SER 7 7 53993 2 . GLY 8 8 53993 2 . ALA 9 9 53993 2 . GLU 10 10 53993 2 . LEU 11 11 53993 2 . VAL 12 12 53993 2 . ARG 13 13 53993 2 . SER 14 14 53993 2 . GLY 15 15 53993 2 . ALA 16 16 53993 2 . SER 17 17 53993 2 . VAL 18 18 53993 2 . LYS 19 19 53993 2 . LEU 20 20 53993 2 . SER 21 21 53993 2 . CYS 22 22 53993 2 . THR 23 23 53993 2 . ALA 24 24 53993 2 . SER 25 25 53993 2 . GLY 26 26 53993 2 . PHE 27 27 53993 2 . ASN 28 28 53993 2 . ILE 29 29 53993 2 . LYS 30 30 53993 2 . ASP 31 31 53993 2 . TYR 32 32 53993 2 . TYR 33 33 53993 2 . MET 34 34 53993 2 . HIS 35 35 53993 2 . TRP 36 36 53993 2 . VAL 37 37 53993 2 . LYS 38 38 53993 2 . GLN 39 39 53993 2 . ARG 40 40 53993 2 . PRO 41 41 53993 2 . GLU 42 42 53993 2 . GLN 43 43 53993 2 . GLY 44 44 53993 2 . LEU 45 45 53993 2 . GLU 46 46 53993 2 . TRP 47 47 53993 2 . ILE 48 48 53993 2 . GLY 49 49 53993 2 . TRP 50 50 53993 2 . ILE 51 51 53993 2 . ASP 52 52 53993 2 . PRO 53 53 53993 2 . GLU 54 54 53993 2 . ASN 55 55 53993 2 . ALA 56 56 53993 2 . ASP 57 57 53993 2 . THR 58 58 53993 2 . GLU 59 59 53993 2 . TYR 60 60 53993 2 . ALA 61 61 53993 2 . PRO 62 62 53993 2 . LYS 63 63 53993 2 . PHE 64 64 53993 2 . GLN 65 65 53993 2 . GLY 66 66 53993 2 . LYS 67 67 53993 2 . ALA 68 68 53993 2 . THR 69 69 53993 2 . MET 70 70 53993 2 . THR 71 71 53993 2 . ALA 72 72 53993 2 . ASP 73 73 53993 2 . THR 74 74 53993 2 . SER 75 75 53993 2 . SER 76 76 53993 2 . ASN 77 77 53993 2 . THR 78 78 53993 2 . ALA 79 79 53993 2 . TYR 80 80 53993 2 . LEU 81 81 53993 2 . GLN 82 82 53993 2 . LEU 83 83 53993 2 . SER 84 84 53993 2 . SER 85 85 53993 2 . LEU 86 86 53993 2 . THR 87 87 53993 2 . SER 88 88 53993 2 . GLU 89 89 53993 2 . ASP 90 90 53993 2 . THR 91 91 53993 2 . ALA 92 92 53993 2 . VAL 93 93 53993 2 . TYR 94 94 53993 2 . TYR 95 95 53993 2 . CYS 96 96 53993 2 . LYS 97 97 53993 2 . THR 98 98 53993 2 . GLY 99 99 53993 2 . ASP 100 100 53993 2 . TYR 101 101 53993 2 . TRP 102 102 53993 2 . GLY 103 103 53993 2 . GLN 104 104 53993 2 . GLY 105 105 53993 2 . THR 106 106 53993 2 . THR 107 107 53993 2 . LEU 108 108 53993 2 . THR 109 109 53993 2 . VAL 110 110 53993 2 . SER 111 111 53993 2 . SER 112 112 53993 2 . ALA 113 113 53993 2 . LYS 114 114 53993 2 . THR 115 115 53993 2 . THR 116 116 53993 2 . PRO 117 117 53993 2 . PRO 118 118 53993 2 . SER 119 119 53993 2 . VAL 120 120 53993 2 . TYR 121 121 53993 2 . PRO 122 122 53993 2 . LEU 123 123 53993 2 . ALA 124 124 53993 2 . PRO 125 125 53993 2 . GLY 126 126 53993 2 . SER 127 127 53993 2 . ALA 128 128 53993 2 . ALA 129 129 53993 2 . GLN 130 130 53993 2 . THR 131 131 53993 2 . ASN 132 132 53993 2 . SER 133 133 53993 2 . MET 134 134 53993 2 . VAL 135 135 53993 2 . THR 136 136 53993 2 . LEU 137 137 53993 2 . GLY 138 138 53993 2 . CYS 139 139 53993 2 . LEU 140 140 53993 2 . VAL 141 141 53993 2 . LYS 142 142 53993 2 . GLY 143 143 53993 2 . TYR 144 144 53993 2 . PHE 145 145 53993 2 . PRO 146 146 53993 2 . GLU 147 147 53993 2 . PRO 148 148 53993 2 . VAL 149 149 53993 2 . THR 150 150 53993 2 . VAL 151 151 53993 2 . THR 152 152 53993 2 . TRP 153 153 53993 2 . ASN 154 154 53993 2 . SER 155 155 53993 2 . GLY 156 156 53993 2 . SER 157 157 53993 2 . LEU 158 158 53993 2 . SER 159 159 53993 2 . SER 160 160 53993 2 . GLY 161 161 53993 2 . VAL 162 162 53993 2 . HIS 163 163 53993 2 . THR 164 164 53993 2 . PHE 165 165 53993 2 . PRO 166 166 53993 2 . ALA 167 167 53993 2 . VAL 168 168 53993 2 . LEU 169 169 53993 2 . GLN 170 170 53993 2 . SER 171 171 53993 2 . ASP 172 172 53993 2 . LEU 173 173 53993 2 . TYR 174 174 53993 2 . THR 175 175 53993 2 . LEU 176 176 53993 2 . SER 177 177 53993 2 . SER 178 178 53993 2 . SER 179 179 53993 2 . VAL 180 180 53993 2 . THR 181 181 53993 2 . VAL 182 182 53993 2 . PRO 183 183 53993 2 . SER 184 184 53993 2 . SER 185 185 53993 2 . THR 186 186 53993 2 . TRP 187 187 53993 2 . PRO 188 188 53993 2 . SER 189 189 53993 2 . GLU 190 190 53993 2 . THR 191 191 53993 2 . VAL 192 192 53993 2 . THR 193 193 53993 2 . CYS 194 194 53993 2 . ASN 195 195 53993 2 . VAL 196 196 53993 2 . ALA 197 197 53993 2 . HIS 198 198 53993 2 . PRO 199 199 53993 2 . ALA 200 200 53993 2 . SER 201 201 53993 2 . SER 202 202 53993 2 . THR 203 203 53993 2 . LYS 204 204 53993 2 . VAL 205 205 53993 2 . ASP 206 206 53993 2 . LYS 207 207 53993 2 . LYS 208 208 53993 2 . ILE 209 209 53993 2 . VAL 210 210 53993 2 . PRO 211 211 53993 2 . ARG 212 212 53993 2 . ASP 213 213 53993 2 . CYS 214 214 53993 2 stop_ save_ save_entity_3 _Entity.Sf_category entity _Entity.Sf_framecode entity_3 _Entity.Entry_ID 53993 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name entity_3 _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 ; DVVMTQTPLTLSVTIGQPAS ISCKSSQSLLDSDGKTYLNW LLQRPGQSPKRLIFLVSKLD SGVPDRFTGSGSGTDFTLKI SRVEAEDLGVYYCWQKTHFP QTFGGGTNLEIKRADAAPTV SIFPPSSEQLTSGGASVVCF LNNFYPKDINVKWKIDGSER QNGVLNSWTDQDSKDSTYSM SSTLTLTKDEYERHNSYTCE ATHKTSTSPIVKSFNRNEC ; _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 219 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 . ASP . 53993 3 2 . VAL . 53993 3 3 . VAL . 53993 3 4 . MET . 53993 3 5 . THR . 53993 3 6 . GLN . 53993 3 7 . THR . 53993 3 8 . PRO . 53993 3 9 . LEU . 53993 3 10 . THR . 53993 3 11 . LEU . 53993 3 12 . SER . 53993 3 13 . VAL . 53993 3 14 . THR . 53993 3 15 . ILE . 53993 3 16 . GLY . 53993 3 17 . GLN . 53993 3 18 . PRO . 53993 3 19 . ALA . 53993 3 20 . SER . 53993 3 21 . ILE . 53993 3 22 . SER . 53993 3 23 . CYS . 53993 3 24 . LYS . 53993 3 25 . SER . 53993 3 26 . SER . 53993 3 27 . GLN . 53993 3 28 . SER . 53993 3 29 . LEU . 53993 3 30 . LEU . 53993 3 31 . ASP . 53993 3 32 . SER . 53993 3 33 . ASP . 53993 3 34 . GLY . 53993 3 35 . LYS . 53993 3 36 . THR . 53993 3 37 . TYR . 53993 3 38 . LEU . 53993 3 39 . ASN . 53993 3 40 . TRP . 53993 3 41 . LEU . 53993 3 42 . LEU . 53993 3 43 . GLN . 53993 3 44 . ARG . 53993 3 45 . PRO . 53993 3 46 . GLY . 53993 3 47 . GLN . 53993 3 48 . SER . 53993 3 49 . PRO . 53993 3 50 . LYS . 53993 3 51 . ARG . 53993 3 52 . LEU . 53993 3 53 . ILE . 53993 3 54 . PHE . 53993 3 55 . LEU . 53993 3 56 . VAL . 53993 3 57 . SER . 53993 3 58 . LYS . 53993 3 59 . LEU . 53993 3 60 . ASP . 53993 3 61 . SER . 53993 3 62 . GLY . 53993 3 63 . VAL . 53993 3 64 . PRO . 53993 3 65 . ASP . 53993 3 66 . ARG . 53993 3 67 . PHE . 53993 3 68 . THR . 53993 3 69 . GLY . 53993 3 70 . SER . 53993 3 71 . GLY . 53993 3 72 . SER . 53993 3 73 . GLY . 53993 3 74 . THR . 53993 3 75 . ASP . 53993 3 76 . PHE . 53993 3 77 . THR . 53993 3 78 . LEU . 53993 3 79 . LYS . 53993 3 80 . ILE . 53993 3 81 . SER . 53993 3 82 . ARG . 53993 3 83 . VAL . 53993 3 84 . GLU . 53993 3 85 . ALA . 53993 3 86 . GLU . 53993 3 87 . ASP . 53993 3 88 . LEU . 53993 3 89 . GLY . 53993 3 90 . VAL . 53993 3 91 . TYR . 53993 3 92 . TYR . 53993 3 93 . CYS . 53993 3 94 . TRP . 53993 3 95 . GLN . 53993 3 96 . LYS . 53993 3 97 . THR . 53993 3 98 . HIS . 53993 3 99 . PHE . 53993 3 100 . PRO . 53993 3 101 . GLN . 53993 3 102 . THR . 53993 3 103 . PHE . 53993 3 104 . GLY . 53993 3 105 . GLY . 53993 3 106 . GLY . 53993 3 107 . THR . 53993 3 108 . ASN . 53993 3 109 . LEU . 53993 3 110 . GLU . 53993 3 111 . ILE . 53993 3 112 . LYS . 53993 3 113 . ARG . 53993 3 114 . ALA . 53993 3 115 . ASP . 53993 3 116 . ALA . 53993 3 117 . ALA . 53993 3 118 . PRO . 53993 3 119 . THR . 53993 3 120 . VAL . 53993 3 121 . SER . 53993 3 122 . ILE . 53993 3 123 . PHE . 53993 3 124 . PRO . 53993 3 125 . PRO . 53993 3 126 . SER . 53993 3 127 . SER . 53993 3 128 . GLU . 53993 3 129 . GLN . 53993 3 130 . LEU . 53993 3 131 . THR . 53993 3 132 . SER . 53993 3 133 . GLY . 53993 3 134 . GLY . 53993 3 135 . ALA . 53993 3 136 . SER . 53993 3 137 . VAL . 53993 3 138 . VAL . 53993 3 139 . CYS . 53993 3 140 . PHE . 53993 3 141 . LEU . 53993 3 142 . ASN . 53993 3 143 . ASN . 53993 3 144 . PHE . 53993 3 145 . TYR . 53993 3 146 . PRO . 53993 3 147 . LYS . 53993 3 148 . ASP . 53993 3 149 . ILE . 53993 3 150 . ASN . 53993 3 151 . VAL . 53993 3 152 . LYS . 53993 3 153 . TRP . 53993 3 154 . LYS . 53993 3 155 . ILE . 53993 3 156 . ASP . 53993 3 157 . GLY . 53993 3 158 . SER . 53993 3 159 . GLU . 53993 3 160 . ARG . 53993 3 161 . GLN . 53993 3 162 . ASN . 53993 3 163 . GLY . 53993 3 164 . VAL . 53993 3 165 . LEU . 53993 3 166 . ASN . 53993 3 167 . SER . 53993 3 168 . TRP . 53993 3 169 . THR . 53993 3 170 . ASP . 53993 3 171 . GLN . 53993 3 172 . ASP . 53993 3 173 . SER . 53993 3 174 . LYS . 53993 3 175 . ASP . 53993 3 176 . SER . 53993 3 177 . THR . 53993 3 178 . TYR . 53993 3 179 . SER . 53993 3 180 . MET . 53993 3 181 . SER . 53993 3 182 . SER . 53993 3 183 . THR . 53993 3 184 . LEU . 53993 3 185 . THR . 53993 3 186 . LEU . 53993 3 187 . THR . 53993 3 188 . LYS . 53993 3 189 . ASP . 53993 3 190 . GLU . 53993 3 191 . TYR . 53993 3 192 . GLU . 53993 3 193 . ARG . 53993 3 194 . HIS . 53993 3 195 . ASN . 53993 3 196 . SER . 53993 3 197 . TYR . 53993 3 198 . THR . 53993 3 199 . CYS . 53993 3 200 . GLU . 53993 3 201 . ALA . 53993 3 202 . THR . 53993 3 203 . HIS . 53993 3 204 . LYS . 53993 3 205 . THR . 53993 3 206 . SER . 53993 3 207 . THR . 53993 3 208 . SER . 53993 3 209 . PRO . 53993 3 210 . ILE . 53993 3 211 . VAL . 53993 3 212 . LYS . 53993 3 213 . SER . 53993 3 214 . PHE . 53993 3 215 . ASN . 53993 3 216 . ARG . 53993 3 217 . ASN . 53993 3 218 . GLU . 53993 3 219 . CYS . 53993 3 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ASP 1 1 53993 3 . VAL 2 2 53993 3 . VAL 3 3 53993 3 . MET 4 4 53993 3 . THR 5 5 53993 3 . GLN 6 6 53993 3 . THR 7 7 53993 3 . PRO 8 8 53993 3 . LEU 9 9 53993 3 . THR 10 10 53993 3 . LEU 11 11 53993 3 . SER 12 12 53993 3 . VAL 13 13 53993 3 . THR 14 14 53993 3 . ILE 15 15 53993 3 . GLY 16 16 53993 3 . GLN 17 17 53993 3 . PRO 18 18 53993 3 . ALA 19 19 53993 3 . SER 20 20 53993 3 . ILE 21 21 53993 3 . SER 22 22 53993 3 . CYS 23 23 53993 3 . LYS 24 24 53993 3 . SER 25 25 53993 3 . SER 26 26 53993 3 . GLN 27 27 53993 3 . SER 28 28 53993 3 . LEU 29 29 53993 3 . LEU 30 30 53993 3 . ASP 31 31 53993 3 . SER 32 32 53993 3 . ASP 33 33 53993 3 . GLY 34 34 53993 3 . LYS 35 35 53993 3 . THR 36 36 53993 3 . TYR 37 37 53993 3 . LEU 38 38 53993 3 . ASN 39 39 53993 3 . TRP 40 40 53993 3 . LEU 41 41 53993 3 . LEU 42 42 53993 3 . GLN 43 43 53993 3 . ARG 44 44 53993 3 . PRO 45 45 53993 3 . GLY 46 46 53993 3 . GLN 47 47 53993 3 . SER 48 48 53993 3 . PRO 49 49 53993 3 . LYS 50 50 53993 3 . ARG 51 51 53993 3 . LEU 52 52 53993 3 . ILE 53 53 53993 3 . PHE 54 54 53993 3 . LEU 55 55 53993 3 . VAL 56 56 53993 3 . SER 57 57 53993 3 . LYS 58 58 53993 3 . LEU 59 59 53993 3 . ASP 60 60 53993 3 . SER 61 61 53993 3 . GLY 62 62 53993 3 . VAL 63 63 53993 3 . PRO 64 64 53993 3 . ASP 65 65 53993 3 . ARG 66 66 53993 3 . PHE 67 67 53993 3 . THR 68 68 53993 3 . GLY 69 69 53993 3 . SER 70 70 53993 3 . GLY 71 71 53993 3 . SER 72 72 53993 3 . GLY 73 73 53993 3 . THR 74 74 53993 3 . ASP 75 75 53993 3 . PHE 76 76 53993 3 . THR 77 77 53993 3 . LEU 78 78 53993 3 . LYS 79 79 53993 3 . ILE 80 80 53993 3 . SER 81 81 53993 3 . ARG 82 82 53993 3 . VAL 83 83 53993 3 . GLU 84 84 53993 3 . ALA 85 85 53993 3 . GLU 86 86 53993 3 . ASP 87 87 53993 3 . LEU 88 88 53993 3 . GLY 89 89 53993 3 . VAL 90 90 53993 3 . TYR 91 91 53993 3 . TYR 92 92 53993 3 . CYS 93 93 53993 3 . TRP 94 94 53993 3 . GLN 95 95 53993 3 . LYS 96 96 53993 3 . THR 97 97 53993 3 . HIS 98 98 53993 3 . PHE 99 99 53993 3 . PRO 100 100 53993 3 . GLN 101 101 53993 3 . THR 102 102 53993 3 . PHE 103 103 53993 3 . GLY 104 104 53993 3 . GLY 105 105 53993 3 . GLY 106 106 53993 3 . THR 107 107 53993 3 . ASN 108 108 53993 3 . LEU 109 109 53993 3 . GLU 110 110 53993 3 . ILE 111 111 53993 3 . LYS 112 112 53993 3 . ARG 113 113 53993 3 . ALA 114 114 53993 3 . ASP 115 115 53993 3 . ALA 116 116 53993 3 . ALA 117 117 53993 3 . PRO 118 118 53993 3 . THR 119 119 53993 3 . VAL 120 120 53993 3 . SER 121 121 53993 3 . ILE 122 122 53993 3 . PHE 123 123 53993 3 . PRO 124 124 53993 3 . PRO 125 125 53993 3 . SER 126 126 53993 3 . SER 127 127 53993 3 . GLU 128 128 53993 3 . GLN 129 129 53993 3 . LEU 130 130 53993 3 . THR 131 131 53993 3 . SER 132 132 53993 3 . GLY 133 133 53993 3 . GLY 134 134 53993 3 . ALA 135 135 53993 3 . SER 136 136 53993 3 . VAL 137 137 53993 3 . VAL 138 138 53993 3 . CYS 139 139 53993 3 . PHE 140 140 53993 3 . LEU 141 141 53993 3 . ASN 142 142 53993 3 . ASN 143 143 53993 3 . PHE 144 144 53993 3 . TYR 145 145 53993 3 . PRO 146 146 53993 3 . LYS 147 147 53993 3 . ASP 148 148 53993 3 . ILE 149 149 53993 3 . ASN 150 150 53993 3 . VAL 151 151 53993 3 . LYS 152 152 53993 3 . TRP 153 153 53993 3 . LYS 154 154 53993 3 . ILE 155 155 53993 3 . ASP 156 156 53993 3 . GLY 157 157 53993 3 . SER 158 158 53993 3 . GLU 159 159 53993 3 . ARG 160 160 53993 3 . GLN 161 161 53993 3 . ASN 162 162 53993 3 . GLY 163 163 53993 3 . VAL 164 164 53993 3 . LEU 165 165 53993 3 . ASN 166 166 53993 3 . SER 167 167 53993 3 . TRP 168 168 53993 3 . THR 169 169 53993 3 . ASP 170 170 53993 3 . GLN 171 171 53993 3 . ASP 172 172 53993 3 . SER 173 173 53993 3 . LYS 174 174 53993 3 . ASP 175 175 53993 3 . SER 176 176 53993 3 . THR 177 177 53993 3 . TYR 178 178 53993 3 . SER 179 179 53993 3 . MET 180 180 53993 3 . SER 181 181 53993 3 . SER 182 182 53993 3 . THR 183 183 53993 3 . LEU 184 184 53993 3 . THR 185 185 53993 3 . LEU 186 186 53993 3 . THR 187 187 53993 3 . LYS 188 188 53993 3 . ASP 189 189 53993 3 . GLU 190 190 53993 3 . TYR 191 191 53993 3 . GLU 192 192 53993 3 . ARG 193 193 53993 3 . HIS 194 194 53993 3 . ASN 195 195 53993 3 . SER 196 196 53993 3 . TYR 197 197 53993 3 . THR 198 198 53993 3 . CYS 199 199 53993 3 . GLU 200 200 53993 3 . ALA 201 201 53993 3 . THR 202 202 53993 3 . HIS 203 203 53993 3 . LYS 204 204 53993 3 . THR 205 205 53993 3 . SER 206 206 53993 3 . THR 207 207 53993 3 . SER 208 208 53993 3 . PRO 209 209 53993 3 . ILE 210 210 53993 3 . VAL 211 211 53993 3 . LYS 212 212 53993 3 . SER 213 213 53993 3 . PHE 214 214 53993 3 . ASN 215 215 53993 3 . ARG 216 216 53993 3 . ASN 217 217 53993 3 . GLU 218 218 53993 3 . CYS 219 219 53993 3 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 53993 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 53993 1 2 2 $entity_2 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . 53993 1 3 3 $entity_3 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . 53993 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 53993 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET-17b . . . 53993 1 2 2 $entity_2 . 'recombinant technology' 'Cricetulus griseus' . . . Cricetulus griseus . . . plasmid . . pCMV_3'UTR . . . 53993 1 3 3 $entity_3 . 'recombinant technology' 'Cricetulus griseus' . . . Cricetulus griseus . . . plasmid . . pCMV_3'UTR . . . 53993 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53993 _Sample.ID 1 _Sample.Name sample_clean _Sample.Type solution _Sample.Sub_type . _Sample.Details 'free dGAE' _Sample.Aggregate_sample_number 1 _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 dGAE '[U-13C; U-15N]' . . 1 $entity_1 . . 590 . . uM . . . . 53993 1 2 D2O [U-2H] . . . . . . 10 . . % . . . . 53993 1 3 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 53993 1 4 'potassium phosphate' 'natural abundance' . . . . . . 1.8 . . mM . . . . 53993 1 5 'sodium chloride' 'natural abundance' . . . . . . 137 . . mM . . . . 53993 1 6 'potassium chloride' 'natural abundance' . . . . . . 2.7 . . mM . . . . 53993 1 7 'protease inhibitor cocktail' 'natural abundance' . . . . . . 1.6 . . tablet/100mL . . . . 53993 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 53993 _Sample.ID 2 _Sample.Name sample_1to1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'DC11 FAB and dGAE in 1:1 molar ratio' _Sample.Aggregate_sample_number 1 _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 dGAE '[U-13C; U-15N]' . . 1 $entity_1 . . 250 . . uM . . . . 53993 2 2 D2O [U-2H] . . . . . . 10 . . % . . . . 53993 2 3 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 53993 2 4 'potassium phosphate' 'natural abundance' . . . . . . 1.8 . . mM . . . . 53993 2 5 'sodium chloride' 'natural abundance' . . . . . . 137 . . mM . . . . 53993 2 6 'potassium chloride' 'natural abundance' . . . . . . 2.7 . . mM . . . . 53993 2 7 'protease inhibitor cocktail' 'natural abundance' . . . . . . 1.6 . . tablet/100mL . . . . 53993 2 8 'DC11 FAB (Heavy Chain)' 'natural abundance' . . 2 $entity_2 . . 250 . . uM . . . . 53993 2 9 'DC11 FAB (Light Chain)' 'natural abundance' . . 3 $entity_3 . . 250 . . uM . . . . 53993 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 53993 _Sample.ID 3 _Sample.Name sample_2to1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'DC11 FAB and dGAE in 2:1 molar ratio' _Sample.Aggregate_sample_number 1 _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 dGAE '[U-13C; U-15N]' . . 1 $entity_1 . . 160 . . uM . . . . 53993 3 2 D2O [U-2H] . . . . . . 10 . . % . . . . 53993 3 3 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 53993 3 4 'potassium phosphate' 'natural abundance' . . . . . . 1.8 . . mM . . . . 53993 3 5 'sodium chloride' 'natural abundance' . . . . . . 137 . . mM . . . . 53993 3 6 'potassium chloride' 'natural abundance' . . . . . . 2.7 . . mM . . . . 53993 3 7 'protease inhibitor cocktail' 'natural abundance' . . . . . . 1.6 . . tablet/100mL . . . . 53993 3 8 'DC11 FAB (Heavy Chain)' 'natural abundance' . . 2 $entity_2 . . 320 . . uM . . . . 53993 3 9 'DC11 FAB (Light Chain)' 'natural abundance' . . 3 $entity_3 . . 320 . . uM . . . . 53993 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 53993 _Sample.ID 4 _Sample.Name sample_4to1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'DC11 FAB and dGAE in 4:1 molar ratio' _Sample.Aggregate_sample_number 1 _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 dGAE '[U-13C; U-15N]' . . 1 $entity_1 . . 80 . . uM . . . . 53993 4 2 D2O [U-2H] . . . . . . 10 . . % . . . . 53993 4 3 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 53993 4 4 'potassium phosphate' 'natural abundance' . . . . . . 1.8 . . mM . . . . 53993 4 5 'sodium chloride' 'natural abundance' . . . . . . 137 . . mM . . . . 53993 4 6 'potassium chloride' 'natural abundance' . . . . . . 2.7 . . mM . . . . 53993 4 7 'protease inhibitor cocktail' 'natural abundance' . . . . . . 1.6 . . tablet/100mL . . . . 53993 4 8 'DC11 FAB (Heavy Chain)' 'natural abundance' . . 2 $entity_2 . . 320 . . uM . . . . 53993 4 9 'DC11 FAB (Light Chain)' 'natural abundance' . . 3 $entity_3 . . 320 . . uM . . . . 53993 4 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 53993 _Sample_condition_list.ID 1 _Sample_condition_list.Name conditions_1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 53993 1 pH 7.4 . pH 53993 1 pressure 1 . atm 53993 1 temperature 278 . K 53993 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53993 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.1 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 53993 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 53993 _Software.ID 2 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 53993 2 'peak picking' . 53993 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 53993 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 53993 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 53993 _Software.ID 4 _Software.Type . _Software.Name SMILE _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 53993 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 53993 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name spectrometer_1 _NMR_spectrometer.Details '5 mm TCI triple-resonance 1H/13C/15N inverse cryoprobe for 1H detection' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 53993 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53993 1 2 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53993 1 3 '2D 1H-15N HSQC' no no . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53993 1 4 '3D HNCO' no yes . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53993 1 5 '2D 1H-15N HSQC' no no . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53993 1 6 '3D HNCO' no yes . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53993 1 7 '2D 1H-15N HSQC' no no . . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53993 1 8 '3D HNCO' no yes . . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53993 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 53993 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name chem_shift-reference_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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 na 'carbonyl carbons' . . . . ppm 174.967 na indirect . . . . . . 53993 1 H 1 water protons . . . . ppm 5.004 internal direct 1 . . . . . 53993 1 N 15 na na . . . . ppm 117.332 na indirect . . . . . . 53993 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 53993 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name assigned_chemical_shifts_clean _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _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' . . . 53993 1 2 '3D HNCO' . . . 53993 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 53993 1 2 $software_2 . . 53993 1 3 $software_3 . . 53993 1 4 $software_4 . . 53993 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 ILE C C 13 175.693 0.000 . 1 . . . . . 297 I C . 53993 1 2 . 1 . 1 3 3 LYS H H 1 8.573 0.004 . 1 . . . . . 298 K H . 53993 1 3 . 1 . 1 3 3 LYS C C 13 175.866 0.000 . 1 . . . . . 298 K C . 53993 1 4 . 1 . 1 3 3 LYS N N 15 126.860 0.020 . 1 . . . . . 298 K N . 53993 1 5 . 1 . 1 4 4 HIS H H 1 8.566 0.004 . 1 . . . . . 299 H H . 53993 1 6 . 1 . 1 4 4 HIS C C 13 174.846 0.000 . 1 . . . . . 299 H C . 53993 1 7 . 1 . 1 4 4 HIS N N 15 123.362 0.026 . 1 . . . . . 299 H N . 53993 1 8 . 1 . 1 5 5 VAL H H 1 8.284 0.002 . 1 . . . . . 300 V H . 53993 1 9 . 1 . 1 5 5 VAL N N 15 124.771 0.039 . 1 . . . . . 300 V N . 53993 1 10 . 1 . 1 6 6 PRO C C 13 177.732 0.000 . 1 . . . . . 301 P C . 53993 1 11 . 1 . 1 7 7 GLY H H 1 8.782 0.003 . 1 . . . . . 302 G H . 53993 1 12 . 1 . 1 7 7 GLY C C 13 174.971 0.000 . 1 . . . . . 302 G C . 53993 1 13 . 1 . 1 7 7 GLY N N 15 110.849 0.001 . 1 . . . . . 302 G N . 53993 1 14 . 1 . 1 8 8 GLY H H 1 8.448 0.003 . 1 . . . . . 303 G H . 53993 1 15 . 1 . 1 8 8 GLY C C 13 175.024 0.000 . 1 . . . . . 303 G C . 53993 1 16 . 1 . 1 8 8 GLY N N 15 108.918 0.013 . 1 . . . . . 303 G N . 53993 1 17 . 1 . 1 9 9 GLY H H 1 8.486 0.001 . 1 . . . . . 304 G H . 53993 1 18 . 1 . 1 9 9 GLY C C 13 174.155 0.000 . 1 . . . . . 304 G C . 53993 1 19 . 1 . 1 9 9 GLY N N 15 109.006 0.007 . 1 . . . . . 304 G N . 53993 1 20 . 1 . 1 10 10 SER H H 1 8.365 0.003 . 1 . . . . . 305 S H . 53993 1 21 . 1 . 1 10 10 SER C C 13 174.556 0.000 . 1 . . . . . 305 S C . 53993 1 22 . 1 . 1 10 10 SER N N 15 115.832 0.004 . 1 . . . . . 305 S N . 53993 1 23 . 1 . 1 11 11 VAL H H 1 8.326 0.003 . 1 . . . . . 306 V H . 53993 1 24 . 1 . 1 11 11 VAL C C 13 175.992 0.000 . 1 . . . . . 306 V C . 53993 1 25 . 1 . 1 11 11 VAL N N 15 122.196 0.078 . 1 . . . . . 306 V N . 53993 1 26 . 1 . 1 12 12 GLN H H 1 8.590 0.003 . 1 . . . . . 307 Q H . 53993 1 27 . 1 . 1 12 12 GLN C C 13 175.642 0.000 . 1 . . . . . 307 Q C . 53993 1 28 . 1 . 1 12 12 GLN N N 15 125.346 0.018 . 1 . . . . . 307 Q N . 53993 1 29 . 1 . 1 13 13 ILE H H 1 8.381 0.000 . 1 . . . . . 308 I H . 53993 1 30 . 1 . 1 13 13 ILE C C 13 175.050 0.000 . 1 . . . . . 308 I C . 53993 1 31 . 1 . 1 13 13 ILE N N 15 124.203 0.183 . 1 . . . . . 308 I N . 53993 1 32 . 1 . 1 14 14 VAL H H 1 8.304 0.004 . 1 . . . . . 309 V H . 53993 1 33 . 1 . 1 14 14 VAL C C 13 175.495 0.000 . 1 . . . . . 309 V C . 53993 1 34 . 1 . 1 14 14 VAL N N 15 125.338 0.036 . 1 . . . . . 309 V N . 53993 1 35 . 1 . 1 15 15 TYR H H 1 8.620 0.002 . 1 . . . . . 310 Y H . 53993 1 36 . 1 . 1 15 15 TYR C C 13 175.780 0.000 . 1 . . . . . 310 Y C . 53993 1 37 . 1 . 1 15 15 TYR N N 15 126.809 0.017 . 1 . . . . . 310 Y N . 53993 1 38 . 1 . 1 16 16 LYS H H 1 8.363 0.002 . 1 . . . . . 311 K H . 53993 1 39 . 1 . 1 16 16 LYS N N 15 126.460 0.026 . 1 . . . . . 311 K N . 53993 1 40 . 1 . 1 17 17 PRO C C 13 176.848 0.000 . 1 . . . . . 312 P C . 53993 1 41 . 1 . 1 18 18 VAL H H 1 8.295 0.004 . 1 . . . . . 313 V H . 53993 1 42 . 1 . 1 18 18 VAL C C 13 175.657 0.000 . 1 . . . . . 313 V C . 53993 1 43 . 1 . 1 18 18 VAL N N 15 121.036 0.016 . 1 . . . . . 313 V N . 53993 1 44 . 1 . 1 19 19 ASP H H 1 8.535 0.003 . 1 . . . . . 314 D H . 53993 1 45 . 1 . 1 19 19 ASP C C 13 176.744 0.000 . 1 . . . . . 314 D C . 53993 1 46 . 1 . 1 19 19 ASP N N 15 124.811 0.017 . 1 . . . . . 314 D N . 53993 1 47 . 1 . 1 20 20 LEU H H 1 8.715 0.002 . 1 . . . . . 315 L H . 53993 1 48 . 1 . 1 20 20 LEU C C 13 178.145 0.000 . 1 . . . . . 315 L C . 53993 1 49 . 1 . 1 20 20 LEU N N 15 125.922 0.009 . 1 . . . . . 315 L N . 53993 1 50 . 1 . 1 21 21 SER H H 1 8.526 0.004 . 1 . . . . . 316 S H . 53993 1 51 . 1 . 1 21 21 SER C C 13 175.050 0.000 . 1 . . . . . 316 S C . 53993 1 52 . 1 . 1 21 21 SER N N 15 116.374 0.017 . 1 . . . . . 316 S N . 53993 1 53 . 1 . 1 22 22 LYS H H 1 8.043 0.003 . 1 . . . . . 317 K H . 53993 1 54 . 1 . 1 22 22 LYS C C 13 176.712 0.000 . 1 . . . . . 317 K C . 53993 1 55 . 1 . 1 22 22 LYS N N 15 122.154 0.009 . 1 . . . . . 317 K N . 53993 1 56 . 1 . 1 23 23 VAL H H 1 8.009 0.003 . 1 . . . . . 318 V H . 53993 1 57 . 1 . 1 23 23 VAL C C 13 176.628 0.000 . 1 . . . . . 318 V C . 53993 1 58 . 1 . 1 23 23 VAL N N 15 121.214 0.027 . 1 . . . . . 318 V N . 53993 1 59 . 1 . 1 24 24 THR H H 1 8.381 0.003 . 1 . . . . . 319 T H . 53993 1 60 . 1 . 1 24 24 THR C C 13 175.940 0.000 . 1 . . . . . 319 T C . 53993 1 61 . 1 . 1 24 24 THR N N 15 118.124 0.024 . 1 . . . . . 319 T N . 53993 1 62 . 1 . 1 25 25 SER H H 1 8.384 0.004 . 1 . . . . . 320 S H . 53993 1 63 . 1 . 1 25 25 SER C C 13 174.707 0.000 . 1 . . . . . 320 S C . 53993 1 64 . 1 . 1 25 25 SER N N 15 118.746 0.002 . 1 . . . . . 320 S N . 53993 1 65 . 1 . 1 26 26 LYS H H 1 8.582 0.002 . 1 . . . . . 321 K H . 53993 1 66 . 1 . 1 26 26 LYS C C 13 176.111 0.000 . 1 . . . . . 321 K C . 53993 1 67 . 1 . 1 26 26 LYS N N 15 123.631 0.008 . 1 . . . . . 321 K N . 53993 1 68 . 1 . 1 27 27 CYS H H 1 8.454 0.005 . 1 . . . . . 322 C H . 53993 1 69 . 1 . 1 27 27 CYS C C 13 175.376 0.000 . 1 . . . . . 322 C C . 53993 1 70 . 1 . 1 27 27 CYS N N 15 120.227 0.013 . 1 . . . . . 322 C N . 53993 1 71 . 1 . 1 28 28 GLY H H 1 8.606 0.003 . 1 . . . . . 323 G H . 53993 1 72 . 1 . 1 28 28 GLY C C 13 176.615 0.000 . 1 . . . . . 323 G C . 53993 1 73 . 1 . 1 28 28 GLY N N 15 111.165 0.007 . 1 . . . . . 323 G N . 53993 1 74 . 1 . 1 29 29 SER H H 1 8.384 0.003 . 1 . . . . . 324 S H . 53993 1 75 . 1 . 1 29 29 SER C C 13 176.186 0.000 . 1 . . . . . 324 S C . 53993 1 76 . 1 . 1 29 29 SER N N 15 116.197 0.005 . 1 . . . . . 324 S N . 53993 1 77 . 1 . 1 30 30 LEU H H 1 8.520 0.002 . 1 . . . . . 325 L H . 53993 1 78 . 1 . 1 30 30 LEU C C 13 178.015 0.000 . 1 . . . . . 325 L C . 53993 1 79 . 1 . 1 30 30 LEU N N 15 124.099 0.008 . 1 . . . . . 325 L N . 53993 1 80 . 1 . 1 31 31 GLY H H 1 8.438 0.001 . 1 . . . . . 326 G H . 53993 1 81 . 1 . 1 31 31 GLY C C 13 176.493 0.000 . 1 . . . . . 326 G C . 53993 1 82 . 1 . 1 31 31 GLY N N 15 108.959 0.006 . 1 . . . . . 326 G N . 53993 1 83 . 1 . 1 32 32 ASN H H 1 8.375 0.002 . 1 . . . . . 327 N H . 53993 1 84 . 1 . 1 32 32 ASN C C 13 175.428 0.000 . 1 . . . . . 327 N C . 53993 1 85 . 1 . 1 32 32 ASN N N 15 118.936 0.028 . 1 . . . . . 327 N N . 53993 1 86 . 1 . 1 33 33 ILE H H 1 8.132 0.003 . 1 . . . . . 328 I H . 53993 1 87 . 1 . 1 33 33 ILE C C 13 175.913 0.000 . 1 . . . . . 328 I C . 53993 1 88 . 1 . 1 33 33 ILE N N 15 120.802 0.010 . 1 . . . . . 328 I N . 53993 1 89 . 1 . 1 34 34 HIS H H 1 8.419 0.004 . 1 . . . . . 329 H H . 53993 1 90 . 1 . 1 34 34 HIS C C 13 176.893 0.000 . 1 . . . . . 329 H C . 53993 1 91 . 1 . 1 34 34 HIS N N 15 123.272 0.017 . 1 . . . . . 329 H N . 53993 1 92 . 1 . 1 35 35 HIS H H 1 8.340 0.003 . 1 . . . . . 330 H H . 53993 1 93 . 1 . 1 35 35 HIS C C 13 175.600 0.000 . 1 . . . . . 330 H C . 53993 1 94 . 1 . 1 35 35 HIS N N 15 121.140 0.021 . 1 . . . . . 330 H N . 53993 1 95 . 1 . 1 36 36 LYS H H 1 8.446 0.002 . 1 . . . . . 331 K H . 53993 1 96 . 1 . 1 36 36 LYS N N 15 124.874 0.014 . 1 . . . . . 331 K N . 53993 1 97 . 1 . 1 37 37 PRO C C 13 177.734 0.000 . 1 . . . . . 332 P C . 53993 1 98 . 1 . 1 38 38 GLY H H 1 8.785 0.001 . 1 . . . . . 333 G H . 53993 1 99 . 1 . 1 38 38 GLY C C 13 174.889 0.000 . 1 . . . . . 333 G C . 53993 1 100 . 1 . 1 38 38 GLY N N 15 110.855 0.020 . 1 . . . . . 333 G N . 53993 1 101 . 1 . 1 39 39 GLY H H 1 8.485 0.005 . 1 . . . . . 334 G H . 53993 1 102 . 1 . 1 39 39 GLY C C 13 174.869 0.000 . 1 . . . . . 334 G C . 53993 1 103 . 1 . 1 39 39 GLY N N 15 109.044 0.019 . 1 . . . . . 334 G N . 53993 1 104 . 1 . 1 40 40 GLY H H 1 8.488 0.003 . 1 . . . . . 335 G H . 53993 1 105 . 1 . 1 40 40 GLY C C 13 174.045 0.000 . 1 . . . . . 335 G C . 53993 1 106 . 1 . 1 40 40 GLY N N 15 108.997 0.001 . 1 . . . . . 335 G N . 53993 1 107 . 1 . 1 41 41 GLN H H 1 8.392 0.003 . 1 . . . . . 336 Q H . 53993 1 108 . 1 . 1 41 41 GLN C C 13 176.028 0.000 . 1 . . . . . 336 Q C . 53993 1 109 . 1 . 1 41 41 GLN N N 15 120.073 0.002 . 1 . . . . . 336 Q N . 53993 1 110 . 1 . 1 42 42 VAL H H 1 8.370 0.003 . 1 . . . . . 337 V H . 53993 1 111 . 1 . 1 42 42 VAL C C 13 176.021 0.000 . 1 . . . . . 337 V C . 53993 1 112 . 1 . 1 42 42 VAL N N 15 122.316 0.013 . 1 . . . . . 337 V N . 53993 1 113 . 1 . 1 43 43 GLU H H 1 8.652 0.003 . 1 . . . . . 338 E H . 53993 1 114 . 1 . 1 43 43 GLU C C 13 176.542 0.000 . 1 . . . . . 338 E C . 53993 1 115 . 1 . 1 43 43 GLU N N 15 126.053 0.017 . 1 . . . . . 338 E N . 53993 1 116 . 1 . 1 44 44 VAL H H 1 8.442 0.003 . 1 . . . . . 339 V H . 53993 1 117 . 1 . 1 44 44 VAL C C 13 176.173 0.000 . 1 . . . . . 339 V C . 53993 1 118 . 1 . 1 44 44 VAL N N 15 123.709 0.014 . 1 . . . . . 339 V N . 53993 1 119 . 1 . 1 45 45 LYS H H 1 8.658 0.003 . 1 . . . . . 340 K H . 53993 1 120 . 1 . 1 45 45 LYS C C 13 176.507 0.000 . 1 . . . . . 340 K C . 53993 1 121 . 1 . 1 45 45 LYS N N 15 126.867 0.013 . 1 . . . . . 340 K N . 53993 1 122 . 1 . 1 46 46 SER H H 1 8.540 0.002 . 1 . . . . . 341 S H . 53993 1 123 . 1 . 1 46 46 SER C C 13 174.590 0.000 . 1 . . . . . 341 S C . 53993 1 124 . 1 . 1 46 46 SER N N 15 118.128 0.024 . 1 . . . . . 341 S N . 53993 1 125 . 1 . 1 47 47 GLU H H 1 8.667 0.003 . 1 . . . . . 342 E H . 53993 1 126 . 1 . 1 47 47 GLU C C 13 176.355 0.000 . 1 . . . . . 342 E C . 53993 1 127 . 1 . 1 47 47 GLU N N 15 123.766 0.002 . 1 . . . . . 342 E N . 53993 1 128 . 1 . 1 48 48 LYS H H 1 8.465 0.003 . 1 . . . . . 343 K H . 53993 1 129 . 1 . 1 48 48 LYS C C 13 176.525 0.000 . 1 . . . . . 343 K C . 53993 1 130 . 1 . 1 48 48 LYS N N 15 122.684 0.011 . 1 . . . . . 343 K N . 53993 1 131 . 1 . 1 49 49 LEU H H 1 8.381 0.003 . 1 . . . . . 344 L H . 53993 1 132 . 1 . 1 49 49 LEU C C 13 176.889 0.000 . 1 . . . . . 344 L C . 53993 1 133 . 1 . 1 49 49 LEU N N 15 123.909 0.005 . 1 . . . . . 344 L N . 53993 1 134 . 1 . 1 50 50 ASP H H 1 8.445 0.003 . 1 . . . . . 345 D H . 53993 1 135 . 1 . 1 50 50 ASP C C 13 176.132 0.000 . 1 . . . . . 345 D C . 53993 1 136 . 1 . 1 50 50 ASP N N 15 121.529 0.021 . 1 . . . . . 345 D N . 53993 1 137 . 1 . 1 51 51 PHE H H 1 8.333 0.003 . 1 . . . . . 346 F H . 53993 1 138 . 1 . 1 51 51 PHE C C 13 175.348 0.000 . 1 . . . . . 346 F C . 53993 1 139 . 1 . 1 51 51 PHE N N 15 121.532 0.005 . 1 . . . . . 346 F N . 53993 1 140 . 1 . 1 52 52 LYS H H 1 8.329 0.007 . 1 . . . . . 347 K H . 53993 1 141 . 1 . 1 52 52 LYS C C 13 176.345 0.000 . 1 . . . . . 347 K C . 53993 1 142 . 1 . 1 52 52 LYS N N 15 122.249 0.030 . 1 . . . . . 347 K N . 53993 1 143 . 1 . 1 53 53 ASP H H 1 8.254 0.004 . 1 . . . . . 348 D H . 53993 1 144 . 1 . 1 53 53 ASP C C 13 176.182 0.000 . 1 . . . . . 348 D C . 53993 1 145 . 1 . 1 53 53 ASP N N 15 120.344 0.016 . 1 . . . . . 348 D N . 53993 1 146 . 1 . 1 54 54 ARG H H 1 8.132 0.004 . 1 . . . . . 349 R H . 53993 1 147 . 1 . 1 54 54 ARG C C 13 174.991 0.000 . 1 . . . . . 349 R C . 53993 1 148 . 1 . 1 54 54 ARG N N 15 121.151 0.005 . 1 . . . . . 349 R N . 53993 1 149 . 1 . 1 55 55 VAL H H 1 8.238 0.006 . 1 . . . . . 350 V H . 53993 1 150 . 1 . 1 55 55 VAL C C 13 176.483 0.000 . 1 . . . . . 350 V C . 53993 1 151 . 1 . 1 55 55 VAL N N 15 121.816 0.024 . 1 . . . . . 350 V N . 53993 1 152 . 1 . 1 56 56 GLN H H 1 8.643 0.002 . 1 . . . . . 351 Q H . 53993 1 153 . 1 . 1 56 56 GLN C C 13 176.101 0.000 . 1 . . . . . 351 Q C . 53993 1 154 . 1 . 1 56 56 GLN N N 15 124.850 0.017 . 1 . . . . . 351 Q N . 53993 1 155 . 1 . 1 57 57 SER H H 1 8.498 0.002 . 1 . . . . . 352 S H . 53993 1 156 . 1 . 1 57 57 SER C C 13 174.535 0.000 . 1 . . . . . 352 S C . 53993 1 157 . 1 . 1 57 57 SER N N 15 117.989 0.012 . 1 . . . . . 352 S N . 53993 1 158 . 1 . 1 58 58 LYS H H 1 8.523 0.004 . 1 . . . . . 353 K H . 53993 1 159 . 1 . 1 58 58 LYS C C 13 176.501 0.000 . 1 . . . . . 353 K C . 53993 1 160 . 1 . 1 58 58 LYS N N 15 123.741 0.007 . 1 . . . . . 353 K N . 53993 1 161 . 1 . 1 59 59 ILE H H 1 8.311 0.002 . 1 . . . . . 354 I H . 53993 1 162 . 1 . 1 59 59 ILE C C 13 176.969 0.000 . 1 . . . . . 354 I C . 53993 1 163 . 1 . 1 59 59 ILE N N 15 122.181 0.035 . 1 . . . . . 354 I N . 53993 1 164 . 1 . 1 60 60 GLY H H 1 8.675 0.003 . 1 . . . . . 355 G H . 53993 1 165 . 1 . 1 60 60 GLY C C 13 174.191 0.000 . 1 . . . . . 355 G C . 53993 1 166 . 1 . 1 60 60 GLY N N 15 113.918 0.021 . 1 . . . . . 355 G N . 53993 1 167 . 1 . 1 61 61 SER H H 1 8.279 0.004 . 1 . . . . . 356 S H . 53993 1 168 . 1 . 1 61 61 SER C C 13 175.024 0.000 . 1 . . . . . 356 S C . 53993 1 169 . 1 . 1 61 61 SER N N 15 115.753 0.004 . 1 . . . . . 356 S N . 53993 1 170 . 1 . 1 62 62 LEU H H 1 8.553 0.003 . 1 . . . . . 357 L H . 53993 1 171 . 1 . 1 62 62 LEU C C 13 177.329 0.000 . 1 . . . . . 357 L C . 53993 1 172 . 1 . 1 62 62 LEU N N 15 124.229 0.003 . 1 . . . . . 357 L N . 53993 1 173 . 1 . 1 63 63 ASP H H 1 8.293 0.004 . 1 . . . . . 358 D H . 53993 1 174 . 1 . 1 63 63 ASP C C 13 173.771 0.000 . 1 . . . . . 358 D C . 53993 1 175 . 1 . 1 63 63 ASP N N 15 120.399 0.017 . 1 . . . . . 358 D N . 53993 1 176 . 1 . 1 64 64 ASN H H 1 8.360 0.002 . 1 . . . . . 359 N H . 53993 1 177 . 1 . 1 64 64 ASN C C 13 175.159 0.000 . 1 . . . . . 359 N C . 53993 1 178 . 1 . 1 64 64 ASN N N 15 118.810 0.004 . 1 . . . . . 359 N N . 53993 1 179 . 1 . 1 65 65 ILE H H 1 8.173 0.003 . 1 . . . . . 360 I H . 53993 1 180 . 1 . 1 65 65 ILE C C 13 176.539 0.000 . 1 . . . . . 360 I C . 53993 1 181 . 1 . 1 65 65 ILE N N 15 121.084 0.013 . 1 . . . . . 360 I N . 53993 1 182 . 1 . 1 66 66 THR H H 1 8.372 0.002 . 1 . . . . . 361 T H . 53993 1 183 . 1 . 1 66 66 THR C C 13 174.089 0.000 . 1 . . . . . 361 T C . 53993 1 184 . 1 . 1 66 66 THR N N 15 118.363 0.022 . 1 . . . . . 361 T N . 53993 1 185 . 1 . 1 67 67 HIS H H 1 8.473 0.002 . 1 . . . . . 362 H H . 53993 1 186 . 1 . 1 67 67 HIS C C 13 173.732 0.000 . 1 . . . . . 362 H C . 53993 1 187 . 1 . 1 67 67 HIS N N 15 123.613 0.038 . 1 . . . . . 362 H N . 53993 1 188 . 1 . 1 68 68 VAL H H 1 8.268 0.005 . 1 . . . . . 363 V H . 53993 1 189 . 1 . 1 68 68 VAL N N 15 124.386 0.000 . 1 . . . . . 363 V N . 53993 1 190 . 1 . 1 69 69 PRO C C 13 177.737 0.000 . 1 . . . . . 364 P C . 53993 1 191 . 1 . 1 70 70 GLY H H 1 8.758 0.002 . 1 . . . . . 365 G H . 53993 1 192 . 1 . 1 70 70 GLY C C 13 174.738 0.000 . 1 . . . . . 365 G C . 53993 1 193 . 1 . 1 70 70 GLY N N 15 110.511 0.012 . 1 . . . . . 365 G N . 53993 1 194 . 1 . 1 71 71 GLY H H 1 8.503 0.019 . 1 . . . . . 366 G H . 53993 1 195 . 1 . 1 71 71 GLY C C 13 174.560 0.000 . 1 . . . . . 366 G C . 53993 1 196 . 1 . 1 71 71 GLY N N 15 109.037 0.039 . 1 . . . . . 366 G N . 53993 1 197 . 1 . 1 72 72 GLY H H 1 8.489 0.005 . 1 . . . . . 367 G H . 53993 1 198 . 1 . 1 72 72 GLY C C 13 173.976 0.000 . 1 . . . . . 367 G C . 53993 1 199 . 1 . 1 72 72 GLY N N 15 108.977 0.021 . 1 . . . . . 367 G N . 53993 1 200 . 1 . 1 73 73 ASN H H 1 8.468 0.004 . 1 . . . . . 368 N H . 53993 1 201 . 1 . 1 73 73 ASN C C 13 175.331 0.000 . 1 . . . . . 368 N C . 53993 1 202 . 1 . 1 73 73 ASN N N 15 118.685 0.002 . 1 . . . . . 368 N N . 53993 1 203 . 1 . 1 74 74 LYS H H 1 8.424 0.003 . 1 . . . . . 369 K H . 53993 1 204 . 1 . 1 74 74 LYS C C 13 176.514 0.000 . 1 . . . . . 369 K C . 53993 1 205 . 1 . 1 74 74 LYS N N 15 122.178 0.010 . 1 . . . . . 369 K N . 53993 1 206 . 1 . 1 75 75 LYS H H 1 8.482 0.004 . 1 . . . . . 370 K H . 53993 1 207 . 1 . 1 75 75 LYS C C 13 175.070 0.000 . 1 . . . . . 370 K C . 53993 1 208 . 1 . 1 75 75 LYS N N 15 123.683 0.011 . 1 . . . . . 370 K N . 53993 1 209 . 1 . 1 76 76 ILE H H 1 8.341 0.005 . 1 . . . . . 371 I H . 53993 1 210 . 1 . 1 76 76 ILE C C 13 176.327 0.000 . 1 . . . . . 371 I C . 53993 1 211 . 1 . 1 76 76 ILE N N 15 123.537 0.001 . 1 . . . . . 371 I N . 53993 1 212 . 1 . 1 77 77 GLU H H 1 8.691 0.003 . 1 . . . . . 372 E H . 53993 1 213 . 1 . 1 77 77 GLU C C 13 175.730 0.000 . 1 . . . . . 372 E C . 53993 1 214 . 1 . 1 77 77 GLU N N 15 126.352 0.019 . 1 . . . . . 372 E N . 53993 1 215 . 1 . 1 78 78 THR H H 1 8.344 0.004 . 1 . . . . . 373 T H . 53993 1 216 . 1 . 1 78 78 THR C C 13 174.541 0.000 . 1 . . . . . 373 T C . 53993 1 217 . 1 . 1 78 78 THR N N 15 115.838 0.015 . 1 . . . . . 373 T N . 53993 1 218 . 1 . 1 79 79 HIS H H 1 8.474 0.005 . 1 . . . . . 374 H H . 53993 1 219 . 1 . 1 79 79 HIS C C 13 176.744 0.000 . 1 . . . . . 374 H C . 53993 1 220 . 1 . 1 79 79 HIS N N 15 122.167 0.016 . 1 . . . . . 374 H N . 53993 1 221 . 1 . 1 80 80 LYS H H 1 8.303 0.002 . 1 . . . . . 375 K H . 53993 1 222 . 1 . 1 80 80 LYS C C 13 176.816 0.000 . 1 . . . . . 375 K C . 53993 1 223 . 1 . 1 80 80 LYS N N 15 122.803 0.024 . 1 . . . . . 375 K N . 53993 1 224 . 1 . 1 81 81 LEU H H 1 8.433 0.001 . 1 . . . . . 376 L H . 53993 1 225 . 1 . 1 81 81 LEU C C 13 177.555 0.000 . 1 . . . . . 376 L C . 53993 1 226 . 1 . 1 81 81 LEU N N 15 123.653 0.082 . 1 . . . . . 376 L N . 53993 1 227 . 1 . 1 82 82 THR H H 1 8.190 0.003 . 1 . . . . . 377 T H . 53993 1 228 . 1 . 1 82 82 THR C C 13 174.184 0.000 . 1 . . . . . 377 T C . 53993 1 229 . 1 . 1 82 82 THR N N 15 115.031 0.018 . 1 . . . . . 377 T N . 53993 1 230 . 1 . 1 83 83 PHE H H 1 8.416 0.003 . 1 . . . . . 378 F H . 53993 1 231 . 1 . 1 83 83 PHE C C 13 175.650 0.000 . 1 . . . . . 378 F C . 53993 1 232 . 1 . 1 83 83 PHE N N 15 123.078 0.009 . 1 . . . . . 378 F N . 53993 1 233 . 1 . 1 84 84 ARG H H 1 8.280 0.003 . 1 . . . . . 379 R H . 53993 1 234 . 1 . 1 84 84 ARG C C 13 176.028 0.000 . 1 . . . . . 379 R C . 53993 1 235 . 1 . 1 84 84 ARG N N 15 123.476 0.022 . 1 . . . . . 379 R N . 53993 1 236 . 1 . 1 85 85 GLU H H 1 8.491 0.004 . 1 . . . . . 380 E H . 53993 1 237 . 1 . 1 85 85 GLU C C 13 176.510 0.000 . 1 . . . . . 380 E C . 53993 1 238 . 1 . 1 85 85 GLU N N 15 122.413 0.019 . 1 . . . . . 380 E N . 53993 1 239 . 1 . 1 86 86 ASN H H 1 8.609 0.003 . 1 . . . . . 381 N H . 53993 1 240 . 1 . 1 86 86 ASN C C 13 175.203 0.000 . 1 . . . . . 381 N C . 53993 1 241 . 1 . 1 86 86 ASN N N 15 120.014 0.002 . 1 . . . . . 381 N N . 53993 1 242 . 1 . 1 87 87 ALA H H 1 8.347 0.004 . 1 . . . . . 382 A H . 53993 1 243 . 1 . 1 87 87 ALA C C 13 177.921 0.000 . 1 . . . . . 382 A C . 53993 1 244 . 1 . 1 87 87 ALA N N 15 124.556 0.002 . 1 . . . . . 382 A N . 53993 1 245 . 1 . 1 88 88 LYS H H 1 8.313 0.003 . 1 . . . . . 383 K H . 53993 1 246 . 1 . 1 88 88 LYS C C 13 176.545 0.000 . 1 . . . . . 383 K C . 53993 1 247 . 1 . 1 88 88 LYS N N 15 120.595 0.010 . 1 . . . . . 383 K N . 53993 1 248 . 1 . 1 89 89 ALA H H 1 8.349 0.003 . 1 . . . . . 384 A H . 53993 1 249 . 1 . 1 89 89 ALA C C 13 177.912 0.000 . 1 . . . . . 384 A C . 53993 1 250 . 1 . 1 89 89 ALA N N 15 125.425 0.020 . 1 . . . . . 384 A N . 53993 1 251 . 1 . 1 90 90 LYS H H 1 8.471 0.003 . 1 . . . . . 385 K H . 53993 1 252 . 1 . 1 90 90 LYS C C 13 176.984 0.000 . 1 . . . . . 385 K C . 53993 1 253 . 1 . 1 90 90 LYS N N 15 121.291 0.012 . 1 . . . . . 385 K N . 53993 1 254 . 1 . 1 91 91 THR H H 1 8.273 0.003 . 1 . . . . . 386 T H . 53993 1 255 . 1 . 1 91 91 THR C C 13 174.218 0.000 . 1 . . . . . 386 T C . 53993 1 256 . 1 . 1 91 91 THR N N 15 115.101 0.020 . 1 . . . . . 386 T N . 53993 1 257 . 1 . 1 92 92 ASP H H 1 8.425 0.003 . 1 . . . . . 387 D H . 53993 1 258 . 1 . 1 92 92 ASP C C 13 176.850 0.000 . 1 . . . . . 387 D C . 53993 1 259 . 1 . 1 92 92 ASP N N 15 122.763 0.006 . 1 . . . . . 387 D N . 53993 1 260 . 1 . 1 93 93 HIS H H 1 8.594 0.003 . 1 . . . . . 388 H H . 53993 1 261 . 1 . 1 93 93 HIS C C 13 175.875 0.000 . 1 . . . . . 388 H C . 53993 1 262 . 1 . 1 93 93 HIS N N 15 119.520 0.015 . 1 . . . . . 388 H N . 53993 1 263 . 1 . 1 94 94 GLY H H 1 8.530 0.005 . 1 . . . . . 389 G H . 53993 1 264 . 1 . 1 94 94 GLY C C 13 173.958 0.000 . 1 . . . . . 389 G C . 53993 1 265 . 1 . 1 94 94 GLY N N 15 110.393 0.016 . 1 . . . . . 389 G N . 53993 1 266 . 1 . 1 95 95 ALA H H 1 8.274 0.000 . 1 . . . . . 390 A H . 53993 1 267 . 1 . 1 95 95 ALA C C 13 176.993 0.000 . 1 . . . . . 390 A C . 53993 1 268 . 1 . 1 95 95 ALA N N 15 124.892 0.087 . 1 . . . . . 390 A N . 53993 1 269 . 1 . 1 96 96 GLU H H 1 8.140 0.003 . 1 . . . . . 391 E H . 53993 1 270 . 1 . 1 96 96 GLU N N 15 125.592 0.010 . 1 . . . . . 391 E N . 53993 1 stop_ save_ save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 53993 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name assigned_chemical_shifts_1to1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _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 3 '2D 1H-15N HSQC' . . . 53993 2 4 '3D HNCO' . . . 53993 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 53993 2 2 $software_2 . . 53993 2 3 $software_3 . . 53993 2 4 $software_4 . . 53993 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 ILE C C 13 175.645 0.000 . 1 . . . . . 297 I C . 53993 2 2 . 1 . 1 3 3 LYS H H 1 8.581 0.001 . 1 . . . . . 298 K H . 53993 2 3 . 1 . 1 3 3 LYS C C 13 175.874 0.000 . 1 . . . . . 298 K C . 53993 2 4 . 1 . 1 3 3 LYS N N 15 126.866 0.020 . 1 . . . . . 298 K N . 53993 2 5 . 1 . 1 4 4 HIS H H 1 8.595 0.003 . 1 . . . . . 299 H H . 53993 2 6 . 1 . 1 4 4 HIS C C 13 174.753 0.000 . 1 . . . . . 299 H C . 53993 2 7 . 1 . 1 4 4 HIS N N 15 123.231 0.009 . 1 . . . . . 299 H N . 53993 2 8 . 1 . 1 5 5 VAL H H 1 8.305 0.003 . 1 . . . . . 300 V H . 53993 2 9 . 1 . 1 5 5 VAL N N 15 124.643 0.004 . 1 . . . . . 300 V N . 53993 2 10 . 1 . 1 6 6 PRO C C 13 177.730 0.000 . 1 . . . . . 301 P C . 53993 2 11 . 1 . 1 7 7 GLY H H 1 8.781 0.004 . 1 . . . . . 302 G H . 53993 2 12 . 1 . 1 7 7 GLY C C 13 174.973 0.000 . 1 . . . . . 302 G C . 53993 2 13 . 1 . 1 7 7 GLY N N 15 110.850 0.011 . 1 . . . . . 302 G N . 53993 2 14 . 1 . 1 8 8 GLY H H 1 8.450 0.002 . 1 . . . . . 303 G H . 53993 2 15 . 1 . 1 8 8 GLY C C 13 175.029 0.000 . 1 . . . . . 303 G C . 53993 2 16 . 1 . 1 8 8 GLY N N 15 108.919 0.013 . 1 . . . . . 303 G N . 53993 2 17 . 1 . 1 9 9 GLY H H 1 8.487 0.000 . 1 . . . . . 304 G H . 53993 2 18 . 1 . 1 9 9 GLY C C 13 174.158 0.000 . 1 . . . . . 304 G C . 53993 2 19 . 1 . 1 9 9 GLY N N 15 108.999 0.004 . 1 . . . . . 304 G N . 53993 2 20 . 1 . 1 10 10 SER H H 1 8.367 0.003 . 1 . . . . . 305 S H . 53993 2 21 . 1 . 1 10 10 SER C C 13 174.559 0.000 . 1 . . . . . 305 S C . 53993 2 22 . 1 . 1 10 10 SER N N 15 115.840 0.005 . 1 . . . . . 305 S N . 53993 2 23 . 1 . 1 11 11 VAL H H 1 8.328 0.001 . 1 . . . . . 306 V H . 53993 2 24 . 1 . 1 11 11 VAL C C 13 175.995 0.000 . 1 . . . . . 306 V C . 53993 2 25 . 1 . 1 11 11 VAL N N 15 122.191 0.084 . 1 . . . . . 306 V N . 53993 2 26 . 1 . 1 12 12 GLN H H 1 8.590 0.003 . 1 . . . . . 307 Q H . 53993 2 27 . 1 . 1 12 12 GLN C C 13 175.633 0.000 . 1 . . . . . 307 Q C . 53993 2 28 . 1 . 1 12 12 GLN N N 15 125.347 0.021 . 1 . . . . . 307 Q N . 53993 2 29 . 1 . 1 13 13 ILE H H 1 8.384 0.003 . 1 . . . . . 308 I H . 53993 2 30 . 1 . 1 13 13 ILE C C 13 174.975 0.000 . 1 . . . . . 308 I C . 53993 2 31 . 1 . 1 13 13 ILE N N 15 124.207 0.181 . 1 . . . . . 308 I N . 53993 2 32 . 1 . 1 14 14 VAL H H 1 8.325 0.001 . 1 . . . . . 309 V H . 53993 2 33 . 1 . 1 14 14 VAL C C 13 175.502 0.000 . 1 . . . . . 309 V C . 53993 2 34 . 1 . 1 14 14 VAL N N 15 125.268 0.016 . 1 . . . . . 309 V N . 53993 2 35 . 1 . 1 15 15 TYR H H 1 8.620 0.002 . 1 . . . . . 310 Y H . 53993 2 36 . 1 . 1 15 15 TYR C C 13 175.785 0.000 . 1 . . . . . 310 Y C . 53993 2 37 . 1 . 1 15 15 TYR N N 15 126.828 0.020 . 1 . . . . . 310 Y N . 53993 2 38 . 1 . 1 16 16 LYS H H 1 8.362 0.002 . 1 . . . . . 311 K H . 53993 2 39 . 1 . 1 16 16 LYS N N 15 126.466 0.032 . 1 . . . . . 311 K N . 53993 2 40 . 1 . 1 17 17 PRO C C 13 176.895 0.000 . 1 . . . . . 312 P C . 53993 2 41 . 1 . 1 18 18 VAL H H 1 8.325 0.018 . 1 . . . . . 313 V H . 53993 2 42 . 1 . 1 18 18 VAL C C 13 175.662 0.000 . 1 . . . . . 313 V C . 53993 2 43 . 1 . 1 18 18 VAL N N 15 120.847 0.270 . 1 . . . . . 313 V N . 53993 2 44 . 1 . 1 19 19 ASP H H 1 8.535 0.003 . 1 . . . . . 314 D H . 53993 2 45 . 1 . 1 19 19 ASP C C 13 176.742 0.000 . 1 . . . . . 314 D C . 53993 2 46 . 1 . 1 19 19 ASP N N 15 124.811 0.019 . 1 . . . . . 314 D N . 53993 2 47 . 1 . 1 20 20 LEU H H 1 8.713 0.001 . 1 . . . . . 315 L H . 53993 2 48 . 1 . 1 20 20 LEU C C 13 178.145 0.000 . 1 . . . . . 315 L C . 53993 2 49 . 1 . 1 20 20 LEU N N 15 125.915 0.013 . 1 . . . . . 315 L N . 53993 2 50 . 1 . 1 21 21 SER H H 1 8.527 0.004 . 1 . . . . . 316 S H . 53993 2 51 . 1 . 1 21 21 SER C C 13 175.046 0.000 . 1 . . . . . 316 S C . 53993 2 52 . 1 . 1 21 21 SER N N 15 116.379 0.019 . 1 . . . . . 316 S N . 53993 2 53 . 1 . 1 22 22 LYS H H 1 8.044 0.003 . 1 . . . . . 317 K H . 53993 2 54 . 1 . 1 22 22 LYS C C 13 176.711 0.000 . 1 . . . . . 317 K C . 53993 2 55 . 1 . 1 22 22 LYS N N 15 122.168 0.008 . 1 . . . . . 317 K N . 53993 2 56 . 1 . 1 23 23 VAL H H 1 8.009 0.004 . 1 . . . . . 318 V H . 53993 2 57 . 1 . 1 23 23 VAL C C 13 176.626 0.000 . 1 . . . . . 318 V C . 53993 2 58 . 1 . 1 23 23 VAL N N 15 121.219 0.028 . 1 . . . . . 318 V N . 53993 2 59 . 1 . 1 24 24 THR H H 1 8.383 0.003 . 1 . . . . . 319 T H . 53993 2 60 . 1 . 1 24 24 THR C C 13 175.949 0.000 . 1 . . . . . 319 T C . 53993 2 61 . 1 . 1 24 24 THR N N 15 118.121 0.020 . 1 . . . . . 319 T N . 53993 2 62 . 1 . 1 25 25 SER H H 1 8.386 0.004 . 1 . . . . . 320 S H . 53993 2 63 . 1 . 1 25 25 SER C C 13 174.709 0.000 . 1 . . . . . 320 S C . 53993 2 64 . 1 . 1 25 25 SER N N 15 118.770 0.011 . 1 . . . . . 320 S N . 53993 2 65 . 1 . 1 26 26 LYS H H 1 8.582 0.002 . 1 . . . . . 321 K H . 53993 2 66 . 1 . 1 26 26 LYS C C 13 176.114 0.000 . 1 . . . . . 321 K C . 53993 2 67 . 1 . 1 26 26 LYS N N 15 123.642 0.019 . 1 . . . . . 321 K N . 53993 2 68 . 1 . 1 27 27 CYS H H 1 8.497 0.004 . 1 . . . . . 322 C H . 53993 2 69 . 1 . 1 27 27 CYS C C 13 175.382 0.000 . 1 . . . . . 322 C C . 53993 2 70 . 1 . 1 27 27 CYS N N 15 120.001 0.042 . 1 . . . . . 322 C N . 53993 2 71 . 1 . 1 28 28 GLY H H 1 8.607 0.003 . 1 . . . . . 323 G H . 53993 2 72 . 1 . 1 28 28 GLY C C 13 176.580 0.000 . 1 . . . . . 323 G C . 53993 2 73 . 1 . 1 28 28 GLY N N 15 111.167 0.008 . 1 . . . . . 323 G N . 53993 2 74 . 1 . 1 29 29 SER H H 1 8.386 0.002 . 1 . . . . . 324 S H . 53993 2 75 . 1 . 1 29 29 SER C C 13 176.187 0.000 . 1 . . . . . 324 S C . 53993 2 76 . 1 . 1 29 29 SER N N 15 116.242 0.022 . 1 . . . . . 324 S N . 53993 2 77 . 1 . 1 30 30 LEU H H 1 8.518 0.003 . 1 . . . . . 325 L H . 53993 2 78 . 1 . 1 30 30 LEU C C 13 178.021 0.000 . 1 . . . . . 325 L C . 53993 2 79 . 1 . 1 30 30 LEU N N 15 124.087 0.007 . 1 . . . . . 325 L N . 53993 2 80 . 1 . 1 31 31 GLY H H 1 8.438 0.001 . 1 . . . . . 326 G H . 53993 2 81 . 1 . 1 31 31 GLY C C 13 176.497 0.000 . 1 . . . . . 326 G C . 53993 2 82 . 1 . 1 31 31 GLY N N 15 108.951 0.007 . 1 . . . . . 326 G N . 53993 2 83 . 1 . 1 32 32 ASN H H 1 8.375 0.000 . 1 . . . . . 327 N H . 53993 2 84 . 1 . 1 32 32 ASN C C 13 175.420 0.000 . 1 . . . . . 327 N C . 53993 2 85 . 1 . 1 32 32 ASN N N 15 118.903 0.060 . 1 . . . . . 327 N N . 53993 2 86 . 1 . 1 33 33 ILE H H 1 8.130 0.003 . 1 . . . . . 328 I H . 53993 2 87 . 1 . 1 33 33 ILE C C 13 175.937 0.000 . 1 . . . . . 328 I C . 53993 2 88 . 1 . 1 33 33 ILE N N 15 120.814 0.013 . 1 . . . . . 328 I N . 53993 2 89 . 1 . 1 34 34 HIS H H 1 8.424 0.029 . 1 . . . . . 329 H H . 53993 2 90 . 1 . 1 34 34 HIS C C 13 176.895 0.000 . 1 . . . . . 329 H C . 53993 2 91 . 1 . 1 34 34 HIS N N 15 123.178 0.014 . 1 . . . . . 329 H N . 53993 2 92 . 1 . 1 35 35 HIS H H 1 8.336 0.007 . 1 . . . . . 330 H H . 53993 2 93 . 1 . 1 35 35 HIS C C 13 175.606 0.000 . 1 . . . . . 330 H C . 53993 2 94 . 1 . 1 35 35 HIS N N 15 121.326 0.208 . 1 . . . . . 330 H N . 53993 2 95 . 1 . 1 36 36 LYS H H 1 8.445 0.003 . 1 . . . . . 331 K H . 53993 2 96 . 1 . 1 36 36 LYS N N 15 124.874 0.015 . 1 . . . . . 331 K N . 53993 2 97 . 1 . 1 37 37 PRO C C 13 177.731 0.000 . 1 . . . . . 332 P C . 53993 2 98 . 1 . 1 38 38 GLY H H 1 8.785 0.001 . 1 . . . . . 333 G H . 53993 2 99 . 1 . 1 38 38 GLY C C 13 174.917 0.000 . 1 . . . . . 333 G C . 53993 2 100 . 1 . 1 38 38 GLY N N 15 110.859 0.021 . 1 . . . . . 333 G N . 53993 2 101 . 1 . 1 39 39 GLY H H 1 8.487 0.004 . 1 . . . . . 334 G H . 53993 2 102 . 1 . 1 39 39 GLY C C 13 174.917 0.000 . 1 . . . . . 334 G C . 53993 2 103 . 1 . 1 39 39 GLY N N 15 109.032 0.031 . 1 . . . . . 334 G N . 53993 2 104 . 1 . 1 40 40 GLY H H 1 8.489 0.002 . 1 . . . . . 335 G H . 53993 2 105 . 1 . 1 40 40 GLY C C 13 174.052 0.000 . 1 . . . . . 335 G C . 53993 2 106 . 1 . 1 40 40 GLY N N 15 109.002 0.001 . 1 . . . . . 335 G N . 53993 2 107 . 1 . 1 41 41 GLN H H 1 8.393 0.003 . 1 . . . . . 336 Q H . 53993 2 108 . 1 . 1 41 41 GLN C C 13 176.031 0.000 . 1 . . . . . 336 Q C . 53993 2 109 . 1 . 1 41 41 GLN N N 15 120.078 0.003 . 1 . . . . . 336 Q N . 53993 2 110 . 1 . 1 42 42 VAL H H 1 8.370 0.003 . 1 . . . . . 337 V H . 53993 2 111 . 1 . 1 42 42 VAL C C 13 176.024 0.000 . 1 . . . . . 337 V C . 53993 2 112 . 1 . 1 42 42 VAL N N 15 122.310 0.013 . 1 . . . . . 337 V N . 53993 2 113 . 1 . 1 43 43 GLU H H 1 8.652 0.002 . 1 . . . . . 338 E H . 53993 2 114 . 1 . 1 43 43 GLU C C 13 176.542 0.000 . 1 . . . . . 338 E C . 53993 2 115 . 1 . 1 43 43 GLU N N 15 126.050 0.018 . 1 . . . . . 338 E N . 53993 2 116 . 1 . 1 44 44 VAL H H 1 8.489 0.031 . 1 . . . . . 339 V H . 53993 2 117 . 1 . 1 44 44 VAL C C 13 176.175 0.000 . 1 . . . . . 339 V C . 53993 2 118 . 1 . 1 44 44 VAL N N 15 123.764 0.016 . 1 . . . . . 339 V N . 53993 2 119 . 1 . 1 45 45 LYS H H 1 8.658 0.003 . 1 . . . . . 340 K H . 53993 2 120 . 1 . 1 45 45 LYS C C 13 176.510 0.000 . 1 . . . . . 340 K C . 53993 2 121 . 1 . 1 45 45 LYS N N 15 126.858 0.015 . 1 . . . . . 340 K N . 53993 2 122 . 1 . 1 46 46 SER H H 1 8.538 0.003 . 1 . . . . . 341 S H . 53993 2 123 . 1 . 1 46 46 SER C C 13 174.594 0.000 . 1 . . . . . 341 S C . 53993 2 124 . 1 . 1 46 46 SER N N 15 118.121 0.023 . 1 . . . . . 341 S N . 53993 2 125 . 1 . 1 47 47 GLU H H 1 8.666 0.004 . 1 . . . . . 342 E H . 53993 2 126 . 1 . 1 47 47 GLU C C 13 176.356 0.000 . 1 . . . . . 342 E C . 53993 2 127 . 1 . 1 47 47 GLU N N 15 123.760 0.002 . 1 . . . . . 342 E N . 53993 2 128 . 1 . 1 48 48 LYS H H 1 8.463 0.003 . 1 . . . . . 343 K H . 53993 2 129 . 1 . 1 48 48 LYS C C 13 176.526 0.000 . 1 . . . . . 343 K C . 53993 2 130 . 1 . 1 48 48 LYS N N 15 122.674 0.010 . 1 . . . . . 343 K N . 53993 2 131 . 1 . 1 49 49 LEU H H 1 8.382 0.003 . 1 . . . . . 344 L H . 53993 2 132 . 1 . 1 49 49 LEU C C 13 176.893 0.000 . 1 . . . . . 344 L C . 53993 2 133 . 1 . 1 49 49 LEU N N 15 123.947 0.007 . 1 . . . . . 344 L N . 53993 2 134 . 1 . 1 50 50 ASP H H 1 8.446 0.003 . 1 . . . . . 345 D H . 53993 2 135 . 1 . 1 50 50 ASP C C 13 176.133 0.000 . 1 . . . . . 345 D C . 53993 2 136 . 1 . 1 50 50 ASP N N 15 121.523 0.021 . 1 . . . . . 345 D N . 53993 2 137 . 1 . 1 51 51 PHE H H 1 8.336 0.002 . 1 . . . . . 346 F H . 53993 2 138 . 1 . 1 51 51 PHE C C 13 175.369 0.000 . 1 . . . . . 346 F C . 53993 2 139 . 1 . 1 51 51 PHE N N 15 121.341 0.176 . 1 . . . . . 346 F N . 53993 2 140 . 1 . 1 52 52 LYS H H 1 8.329 0.006 . 1 . . . . . 347 K H . 53993 2 141 . 1 . 1 52 52 LYS C C 13 176.345 0.000 . 1 . . . . . 347 K C . 53993 2 142 . 1 . 1 52 52 LYS N N 15 122.271 0.023 . 1 . . . . . 347 K N . 53993 2 143 . 1 . 1 53 53 ASP H H 1 8.253 0.004 . 1 . . . . . 348 D H . 53993 2 144 . 1 . 1 53 53 ASP C C 13 176.179 0.000 . 1 . . . . . 348 D C . 53993 2 145 . 1 . 1 53 53 ASP N N 15 120.343 0.017 . 1 . . . . . 348 D N . 53993 2 146 . 1 . 1 54 54 ARG H H 1 8.131 0.005 . 1 . . . . . 349 R H . 53993 2 147 . 1 . 1 54 54 ARG C C 13 174.914 0.000 . 1 . . . . . 349 R C . 53993 2 148 . 1 . 1 54 54 ARG N N 15 121.154 0.003 . 1 . . . . . 349 R N . 53993 2 149 . 1 . 1 55 55 VAL H H 1 8.283 0.007 . 1 . . . . . 350 V H . 53993 2 150 . 1 . 1 55 55 VAL C C 13 176.485 0.000 . 1 . . . . . 350 V C . 53993 2 151 . 1 . 1 55 55 VAL N N 15 121.672 0.023 . 1 . . . . . 350 V N . 53993 2 152 . 1 . 1 56 56 GLN H H 1 8.643 0.002 . 1 . . . . . 351 Q H . 53993 2 153 . 1 . 1 56 56 GLN C C 13 176.103 0.000 . 1 . . . . . 351 Q C . 53993 2 154 . 1 . 1 56 56 GLN N N 15 124.851 0.020 . 1 . . . . . 351 Q N . 53993 2 155 . 1 . 1 57 57 SER H H 1 8.498 0.002 . 1 . . . . . 352 S H . 53993 2 156 . 1 . 1 57 57 SER C C 13 174.538 0.000 . 1 . . . . . 352 S C . 53993 2 157 . 1 . 1 57 57 SER N N 15 117.986 0.013 . 1 . . . . . 352 S N . 53993 2 158 . 1 . 1 58 58 LYS H H 1 8.501 0.026 . 1 . . . . . 353 K H . 53993 2 159 . 1 . 1 58 58 LYS C C 13 176.503 0.000 . 1 . . . . . 353 K C . 53993 2 160 . 1 . 1 58 58 LYS N N 15 123.860 0.124 . 1 . . . . . 353 K N . 53993 2 161 . 1 . 1 59 59 ILE H H 1 8.310 0.001 . 1 . . . . . 354 I H . 53993 2 162 . 1 . 1 59 59 ILE C C 13 176.971 0.000 . 1 . . . . . 354 I C . 53993 2 163 . 1 . 1 59 59 ILE N N 15 122.186 0.032 . 1 . . . . . 354 I N . 53993 2 164 . 1 . 1 60 60 GLY H H 1 8.675 0.003 . 1 . . . . . 355 G H . 53993 2 165 . 1 . 1 60 60 GLY C C 13 174.195 0.000 . 1 . . . . . 355 G C . 53993 2 166 . 1 . 1 60 60 GLY N N 15 113.916 0.019 . 1 . . . . . 355 G N . 53993 2 167 . 1 . 1 61 61 SER H H 1 8.280 0.003 . 1 . . . . . 356 S H . 53993 2 168 . 1 . 1 61 61 SER C C 13 175.027 0.000 . 1 . . . . . 356 S C . 53993 2 169 . 1 . 1 61 61 SER N N 15 115.756 0.005 . 1 . . . . . 356 S N . 53993 2 170 . 1 . 1 62 62 LEU H H 1 8.554 0.003 . 1 . . . . . 357 L H . 53993 2 171 . 1 . 1 62 62 LEU C C 13 177.334 0.000 . 1 . . . . . 357 L C . 53993 2 172 . 1 . 1 62 62 LEU N N 15 124.236 0.003 . 1 . . . . . 357 L N . 53993 2 173 . 1 . 1 63 63 ASP H H 1 8.296 0.003 . 1 . . . . . 358 D H . 53993 2 174 . 1 . 1 63 63 ASP C C 13 173.778 0.000 . 1 . . . . . 358 D C . 53993 2 175 . 1 . 1 63 63 ASP N N 15 120.414 0.020 . 1 . . . . . 358 D N . 53993 2 176 . 1 . 1 64 64 ASN H H 1 8.364 0.002 . 1 . . . . . 359 N H . 53993 2 177 . 1 . 1 64 64 ASN C C 13 175.168 0.000 . 1 . . . . . 359 N C . 53993 2 178 . 1 . 1 64 64 ASN N N 15 118.829 0.014 . 1 . . . . . 359 N N . 53993 2 179 . 1 . 1 65 65 ILE H H 1 8.168 0.004 . 1 . . . . . 360 I H . 53993 2 180 . 1 . 1 65 65 ILE C C 13 176.543 0.000 . 1 . . . . . 360 I C . 53993 2 181 . 1 . 1 65 65 ILE N N 15 121.050 0.003 . 1 . . . . . 360 I N . 53993 2 182 . 1 . 1 66 66 THR H H 1 8.372 0.003 . 1 . . . . . 361 T H . 53993 2 183 . 1 . 1 66 66 THR C C 13 174.106 0.000 . 1 . . . . . 361 T C . 53993 2 184 . 1 . 1 66 66 THR N N 15 118.374 0.025 . 1 . . . . . 361 T N . 53993 2 185 . 1 . 1 67 67 HIS H H 1 8.486 0.007 . 1 . . . . . 362 H H . 53993 2 186 . 1 . 1 67 67 HIS C C 13 173.732 0.000 . 1 . . . . . 362 H C . 53993 2 187 . 1 . 1 67 67 HIS N N 15 123.498 0.099 . 1 . . . . . 362 H N . 53993 2 188 . 1 . 1 68 68 VAL H H 1 8.293 0.000 . 1 . . . . . 363 V H . 53993 2 189 . 1 . 1 68 68 VAL N N 15 124.422 0.006 . 1 . . . . . 363 V N . 53993 2 190 . 1 . 1 69 69 PRO C C 13 177.733 0.000 . 1 . . . . . 364 P C . 53993 2 191 . 1 . 1 70 70 GLY H H 1 8.758 0.003 . 1 . . . . . 365 G H . 53993 2 192 . 1 . 1 70 70 GLY C C 13 174.737 0.000 . 1 . . . . . 365 G C . 53993 2 193 . 1 . 1 70 70 GLY N N 15 110.522 0.013 . 1 . . . . . 365 G N . 53993 2 194 . 1 . 1 71 71 GLY H H 1 8.505 0.018 . 1 . . . . . 366 G H . 53993 2 195 . 1 . 1 71 71 GLY C C 13 174.562 0.000 . 1 . . . . . 366 G C . 53993 2 196 . 1 . 1 71 71 GLY N N 15 109.037 0.035 . 1 . . . . . 366 G N . 53993 2 197 . 1 . 1 72 72 GLY H H 1 8.492 0.004 . 1 . . . . . 367 G H . 53993 2 198 . 1 . 1 72 72 GLY C C 13 173.975 0.000 . 1 . . . . . 367 G C . 53993 2 199 . 1 . 1 72 72 GLY N N 15 108.986 0.017 . 1 . . . . . 367 G N . 53993 2 200 . 1 . 1 73 73 ASN H H 1 8.470 0.003 . 1 . . . . . 368 N H . 53993 2 201 . 1 . 1 73 73 ASN C C 13 175.325 0.000 . 1 . . . . . 368 N C . 53993 2 202 . 1 . 1 73 73 ASN N N 15 118.691 0.002 . 1 . . . . . 368 N N . 53993 2 203 . 1 . 1 74 74 LYS H H 1 8.425 0.003 . 1 . . . . . 369 K H . 53993 2 204 . 1 . 1 74 74 LYS C C 13 176.508 0.000 . 1 . . . . . 369 K C . 53993 2 205 . 1 . 1 74 74 LYS N N 15 122.188 0.010 . 1 . . . . . 369 K N . 53993 2 206 . 1 . 1 75 75 LYS H H 1 8.484 0.003 . 1 . . . . . 370 K H . 53993 2 207 . 1 . 1 75 75 LYS C C 13 175.081 0.000 . 1 . . . . . 370 K C . 53993 2 208 . 1 . 1 75 75 LYS N N 15 123.704 0.019 . 1 . . . . . 370 K N . 53993 2 209 . 1 . 1 76 76 ILE H H 1 8.341 0.005 . 1 . . . . . 371 I H . 53993 2 210 . 1 . 1 76 76 ILE C C 13 176.310 0.000 . 1 . . . . . 371 I C . 53993 2 211 . 1 . 1 76 76 ILE N N 15 123.538 0.002 . 1 . . . . . 371 I N . 53993 2 212 . 1 . 1 77 77 GLU H H 1 8.688 0.003 . 1 . . . . . 372 E H . 53993 2 213 . 1 . 1 77 77 GLU C C 13 175.733 0.000 . 1 . . . . . 372 E C . 53993 2 214 . 1 . 1 77 77 GLU N N 15 126.409 0.033 . 1 . . . . . 372 E N . 53993 2 215 . 1 . 1 78 78 THR H H 1 8.350 0.008 . 1 . . . . . 373 T H . 53993 2 216 . 1 . 1 78 78 THR C C 13 174.510 0.000 . 1 . . . . . 373 T C . 53993 2 217 . 1 . 1 78 78 THR N N 15 115.846 0.025 . 1 . . . . . 373 T N . 53993 2 218 . 1 . 1 79 79 HIS H H 1 8.513 0.005 . 1 . . . . . 374 H H . 53993 2 219 . 1 . 1 79 79 HIS C C 13 176.748 0.000 . 1 . . . . . 374 H C . 53993 2 220 . 1 . 1 79 79 HIS N N 15 122.021 0.018 . 1 . . . . . 374 H N . 53993 2 221 . 1 . 1 80 80 LYS H H 1 8.303 0.002 . 1 . . . . . 375 K H . 53993 2 222 . 1 . 1 80 80 LYS C C 13 176.771 0.000 . 1 . . . . . 375 K C . 53993 2 223 . 1 . 1 80 80 LYS N N 15 122.799 0.026 . 1 . . . . . 375 K N . 53993 2 224 . 1 . 1 81 81 LEU H H 1 8.447 0.016 . 1 . . . . . 376 L H . 53993 2 225 . 1 . 1 81 81 LEU C C 13 177.551 0.000 . 1 . . . . . 376 L C . 53993 2 226 . 1 . 1 81 81 LEU N N 15 123.713 0.173 . 1 . . . . . 376 L N . 53993 2 227 . 1 . 1 82 82 THR H H 1 8.200 0.000 . 1 . . . . . 377 T H . 53993 2 228 . 1 . 1 82 82 THR C C 13 174.186 0.000 . 1 . . . . . 377 T C . 53993 2 229 . 1 . 1 82 82 THR N N 15 115.062 0.025 . 1 . . . . . 377 T N . 53993 2 230 . 1 . 1 83 83 PHE H H 1 8.422 0.001 . 1 . . . . . 378 F H . 53993 2 231 . 1 . 1 83 83 PHE C C 13 175.669 0.000 . 1 . . . . . 378 F C . 53993 2 232 . 1 . 1 83 83 PHE N N 15 123.085 0.008 . 1 . . . . . 378 F N . 53993 2 233 . 1 . 1 84 84 ARG H H 1 8.284 0.001 . 1 . . . . . 379 R H . 53993 2 234 . 1 . 1 84 84 ARG C C 13 176.043 0.000 . 1 . . . . . 379 R C . 53993 2 235 . 1 . 1 84 84 ARG N N 15 123.455 0.019 . 1 . . . . . 379 R N . 53993 2 236 . 1 . 1 85 85 GLU H H 1 8.486 0.005 . 1 . . . . . 380 E H . 53993 2 237 . 1 . 1 85 85 GLU C C 13 176.520 0.000 . 1 . . . . . 380 E C . 53993 2 238 . 1 . 1 85 85 GLU N N 15 122.406 0.019 . 1 . . . . . 380 E N . 53993 2 239 . 1 . 1 86 86 ASN H H 1 8.610 0.003 . 1 . . . . . 381 N H . 53993 2 240 . 1 . 1 86 86 ASN C C 13 175.213 0.000 . 1 . . . . . 381 N C . 53993 2 241 . 1 . 1 86 86 ASN N N 15 120.019 0.004 . 1 . . . . . 381 N N . 53993 2 242 . 1 . 1 87 87 ALA H H 1 8.347 0.004 . 1 . . . . . 382 A H . 53993 2 243 . 1 . 1 87 87 ALA C C 13 177.936 0.000 . 1 . . . . . 382 A C . 53993 2 244 . 1 . 1 87 87 ALA N N 15 124.551 0.003 . 1 . . . . . 382 A N . 53993 2 245 . 1 . 1 88 88 LYS H H 1 8.314 0.000 . 1 . . . . . 383 K H . 53993 2 246 . 1 . 1 88 88 LYS C C 13 176.554 0.000 . 1 . . . . . 383 K C . 53993 2 247 . 1 . 1 88 88 LYS N N 15 120.566 0.000 . 1 . . . . . 383 K N . 53993 2 248 . 1 . 1 89 89 ALA H H 1 8.343 0.004 . 1 . . . . . 384 A H . 53993 2 249 . 1 . 1 89 89 ALA C C 13 177.928 0.000 . 1 . . . . . 384 A C . 53993 2 250 . 1 . 1 89 89 ALA N N 15 125.368 0.001 . 1 . . . . . 384 A N . 53993 2 251 . 1 . 1 90 90 LYS H H 1 8.468 0.003 . 1 . . . . . 385 K H . 53993 2 252 . 1 . 1 90 90 LYS C C 13 176.995 0.000 . 1 . . . . . 385 K C . 53993 2 253 . 1 . 1 90 90 LYS N N 15 121.259 0.005 . 1 . . . . . 385 K N . 53993 2 254 . 1 . 1 91 91 THR H H 1 8.266 0.004 . 1 . . . . . 386 T H . 53993 2 255 . 1 . 1 91 91 THR C C 13 174.223 0.000 . 1 . . . . . 386 T C . 53993 2 256 . 1 . 1 91 91 THR N N 15 115.041 0.005 . 1 . . . . . 386 T N . 53993 2 257 . 1 . 1 92 92 ASP H H 1 8.422 0.004 . 1 . . . . . 387 D H . 53993 2 258 . 1 . 1 92 92 ASP C C 13 176.881 0.000 . 1 . . . . . 387 D C . 53993 2 259 . 1 . 1 92 92 ASP N N 15 122.757 0.005 . 1 . . . . . 387 D N . 53993 2 260 . 1 . 1 93 93 HIS H H 1 8.595 0.000 . 1 . . . . . 388 H H . 53993 2 261 . 1 . 1 93 93 HIS C C 13 175.724 0.000 . 1 . . . . . 388 H C . 53993 2 262 . 1 . 1 93 93 HIS N N 15 119.520 0.018 . 1 . . . . . 388 H N . 53993 2 263 . 1 . 1 94 94 GLY H H 1 8.546 0.000 . 1 . . . . . 389 G H . 53993 2 264 . 1 . 1 94 94 GLY C C 13 173.961 0.000 . 1 . . . . . 389 G C . 53993 2 265 . 1 . 1 94 94 GLY N N 15 110.351 0.003 . 1 . . . . . 389 G N . 53993 2 266 . 1 . 1 95 95 ALA H H 1 8.291 0.009 . 1 . . . . . 390 A H . 53993 2 267 . 1 . 1 95 95 ALA C C 13 177.001 0.000 . 1 . . . . . 390 A C . 53993 2 268 . 1 . 1 95 95 ALA N N 15 124.808 0.186 . 1 . . . . . 390 A N . 53993 2 269 . 1 . 1 96 96 GLU H H 1 8.137 0.003 . 1 . . . . . 391 E H . 53993 2 270 . 1 . 1 96 96 GLU N N 15 125.591 0.010 . 1 . . . . . 391 E N . 53993 2 stop_ save_ save_assigned_chemical_shifts_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_3 _Assigned_chem_shift_list.Entry_ID 53993 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Name assigned_chemical_shifts_2to1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _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 5 '2D 1H-15N HSQC' . . . 53993 3 6 '3D HNCO' . . . 53993 3 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 53993 3 2 $software_2 . . 53993 3 3 $software_3 . . 53993 3 4 $software_4 . . 53993 3 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 ILE C C 13 175.681 0.000 . 1 . . . . . 297 I C . 53993 3 2 . 1 . 1 3 3 LYS H H 1 8.576 0.002 . 1 . . . . . 298 K H . 53993 3 3 . 1 . 1 3 3 LYS C C 13 175.867 0.000 . 1 . . . . . 298 K C . 53993 3 4 . 1 . 1 3 3 LYS N N 15 126.859 0.025 . 1 . . . . . 298 K N . 53993 3 5 . 1 . 1 4 4 HIS H H 1 8.574 0.000 . 1 . . . . . 299 H H . 53993 3 6 . 1 . 1 4 4 HIS C C 13 174.825 0.000 . 1 . . . . . 299 H C . 53993 3 7 . 1 . 1 4 4 HIS N N 15 123.324 0.014 . 1 . . . . . 299 H N . 53993 3 8 . 1 . 1 5 5 VAL H H 1 8.293 0.002 . 1 . . . . . 300 V H . 53993 3 9 . 1 . 1 5 5 VAL N N 15 124.729 0.010 . 1 . . . . . 300 V N . 53993 3 10 . 1 . 1 6 6 PRO C C 13 177.728 0.000 . 1 . . . . . 301 P C . 53993 3 11 . 1 . 1 7 7 GLY H H 1 8.782 0.003 . 1 . . . . . 302 G H . 53993 3 12 . 1 . 1 7 7 GLY C C 13 174.973 0.000 . 1 . . . . . 302 G C . 53993 3 13 . 1 . 1 7 7 GLY N N 15 110.855 0.021 . 1 . . . . . 302 G N . 53993 3 14 . 1 . 1 8 8 GLY H H 1 8.449 0.002 . 1 . . . . . 303 G H . 53993 3 15 . 1 . 1 8 8 GLY C C 13 175.028 0.000 . 1 . . . . . 303 G C . 53993 3 16 . 1 . 1 8 8 GLY N N 15 108.922 0.015 . 1 . . . . . 303 G N . 53993 3 17 . 1 . 1 9 9 GLY H H 1 8.487 0.000 . 1 . . . . . 304 G H . 53993 3 18 . 1 . 1 9 9 GLY C C 13 174.156 0.000 . 1 . . . . . 304 G C . 53993 3 19 . 1 . 1 9 9 GLY N N 15 109.000 0.001 . 1 . . . . . 304 G N . 53993 3 20 . 1 . 1 10 10 SER H H 1 8.366 0.003 . 1 . . . . . 305 S H . 53993 3 21 . 1 . 1 10 10 SER C C 13 174.559 0.000 . 1 . . . . . 305 S C . 53993 3 22 . 1 . 1 10 10 SER N N 15 115.835 0.005 . 1 . . . . . 305 S N . 53993 3 23 . 1 . 1 11 11 VAL H H 1 8.327 0.001 . 1 . . . . . 306 V H . 53993 3 24 . 1 . 1 11 11 VAL C C 13 175.993 0.000 . 1 . . . . . 306 V C . 53993 3 25 . 1 . 1 11 11 VAL N N 15 122.196 0.073 . 1 . . . . . 306 V N . 53993 3 26 . 1 . 1 12 12 GLN H H 1 8.590 0.003 . 1 . . . . . 307 Q H . 53993 3 27 . 1 . 1 12 12 GLN C C 13 175.693 0.000 . 1 . . . . . 307 Q C . 53993 3 28 . 1 . 1 12 12 GLN N N 15 125.338 0.018 . 1 . . . . . 307 Q N . 53993 3 29 . 1 . 1 13 13 ILE H H 1 8.373 0.007 . 1 . . . . . 308 I H . 53993 3 30 . 1 . 1 13 13 ILE C C 13 175.032 0.000 . 1 . . . . . 308 I C . 53993 3 31 . 1 . 1 13 13 ILE N N 15 124.208 0.181 . 1 . . . . . 308 I N . 53993 3 32 . 1 . 1 14 14 VAL H H 1 8.309 0.002 . 1 . . . . . 309 V H . 53993 3 33 . 1 . 1 14 14 VAL C C 13 175.498 0.000 . 1 . . . . . 309 V C . 53993 3 34 . 1 . 1 14 14 VAL N N 15 125.307 0.026 . 1 . . . . . 309 V N . 53993 3 35 . 1 . 1 15 15 TYR H H 1 8.619 0.002 . 1 . . . . . 310 Y H . 53993 3 36 . 1 . 1 15 15 TYR C C 13 175.783 0.000 . 1 . . . . . 310 Y C . 53993 3 37 . 1 . 1 15 15 TYR N N 15 126.812 0.019 . 1 . . . . . 310 Y N . 53993 3 38 . 1 . 1 16 16 LYS H H 1 8.361 0.002 . 1 . . . . . 311 K H . 53993 3 39 . 1 . 1 16 16 LYS N N 15 126.454 0.031 . 1 . . . . . 311 K N . 53993 3 40 . 1 . 1 17 17 PRO C C 13 176.894 0.000 . 1 . . . . . 312 P C . 53993 3 41 . 1 . 1 18 18 VAL H H 1 8.317 0.025 . 1 . . . . . 313 V H . 53993 3 42 . 1 . 1 18 18 VAL C C 13 175.659 0.000 . 1 . . . . . 313 V C . 53993 3 43 . 1 . 1 18 18 VAL N N 15 121.091 0.021 . 1 . . . . . 313 V N . 53993 3 44 . 1 . 1 19 19 ASP H H 1 8.535 0.002 . 1 . . . . . 314 D H . 53993 3 45 . 1 . 1 19 19 ASP C C 13 176.743 0.000 . 1 . . . . . 314 D C . 53993 3 46 . 1 . 1 19 19 ASP N N 15 124.802 0.014 . 1 . . . . . 314 D N . 53993 3 47 . 1 . 1 20 20 LEU H H 1 8.713 0.001 . 1 . . . . . 315 L H . 53993 3 48 . 1 . 1 20 20 LEU C C 13 178.145 0.000 . 1 . . . . . 315 L C . 53993 3 49 . 1 . 1 20 20 LEU N N 15 125.907 0.012 . 1 . . . . . 315 L N . 53993 3 50 . 1 . 1 21 21 SER H H 1 8.525 0.003 . 1 . . . . . 316 S H . 53993 3 51 . 1 . 1 21 21 SER C C 13 175.048 0.000 . 1 . . . . . 316 S C . 53993 3 52 . 1 . 1 21 21 SER N N 15 116.373 0.018 . 1 . . . . . 316 S N . 53993 3 53 . 1 . 1 22 22 LYS H H 1 8.043 0.003 . 1 . . . . . 317 K H . 53993 3 54 . 1 . 1 22 22 LYS C C 13 176.712 0.000 . 1 . . . . . 317 K C . 53993 3 55 . 1 . 1 22 22 LYS N N 15 122.156 0.011 . 1 . . . . . 317 K N . 53993 3 56 . 1 . 1 23 23 VAL H H 1 8.008 0.003 . 1 . . . . . 318 V H . 53993 3 57 . 1 . 1 23 23 VAL C C 13 176.627 0.000 . 1 . . . . . 318 V C . 53993 3 58 . 1 . 1 23 23 VAL N N 15 121.198 0.027 . 1 . . . . . 318 V N . 53993 3 59 . 1 . 1 24 24 THR H H 1 8.381 0.003 . 1 . . . . . 319 T H . 53993 3 60 . 1 . 1 24 24 THR C C 13 175.944 0.000 . 1 . . . . . 319 T C . 53993 3 61 . 1 . 1 24 24 THR N N 15 118.117 0.015 . 1 . . . . . 319 T N . 53993 3 62 . 1 . 1 25 25 SER H H 1 8.386 0.004 . 1 . . . . . 320 S H . 53993 3 63 . 1 . 1 25 25 SER C C 13 174.710 0.000 . 1 . . . . . 320 S C . 53993 3 64 . 1 . 1 25 25 SER N N 15 118.751 0.006 . 1 . . . . . 320 S N . 53993 3 65 . 1 . 1 26 26 LYS H H 1 8.579 0.004 . 1 . . . . . 321 K H . 53993 3 66 . 1 . 1 26 26 LYS C C 13 176.113 0.000 . 1 . . . . . 321 K C . 53993 3 67 . 1 . 1 26 26 LYS N N 15 123.633 0.009 . 1 . . . . . 321 K N . 53993 3 68 . 1 . 1 27 27 CYS H H 1 8.466 0.000 . 1 . . . . . 322 C H . 53993 3 69 . 1 . 1 27 27 CYS C C 13 175.378 0.000 . 1 . . . . . 322 C C . 53993 3 70 . 1 . 1 27 27 CYS N N 15 120.172 0.015 . 1 . . . . . 322 C N . 53993 3 71 . 1 . 1 28 28 GLY H H 1 8.605 0.002 . 1 . . . . . 323 G H . 53993 3 72 . 1 . 1 28 28 GLY C C 13 176.604 0.000 . 1 . . . . . 323 G C . 53993 3 73 . 1 . 1 28 28 GLY N N 15 111.159 0.005 . 1 . . . . . 323 G N . 53993 3 74 . 1 . 1 29 29 SER H H 1 8.383 0.002 . 1 . . . . . 324 S H . 53993 3 75 . 1 . 1 29 29 SER C C 13 176.186 0.000 . 1 . . . . . 324 S C . 53993 3 76 . 1 . 1 29 29 SER N N 15 116.201 0.011 . 1 . . . . . 324 S N . 53993 3 77 . 1 . 1 30 30 LEU H H 1 8.518 0.002 . 1 . . . . . 325 L H . 53993 3 78 . 1 . 1 30 30 LEU C C 13 178.014 0.000 . 1 . . . . . 325 L C . 53993 3 79 . 1 . 1 30 30 LEU N N 15 124.085 0.008 . 1 . . . . . 325 L N . 53993 3 80 . 1 . 1 31 31 GLY H H 1 8.439 0.001 . 1 . . . . . 326 G H . 53993 3 81 . 1 . 1 31 31 GLY C C 13 176.495 0.000 . 1 . . . . . 326 G C . 53993 3 82 . 1 . 1 31 31 GLY N N 15 108.951 0.006 . 1 . . . . . 326 G N . 53993 3 83 . 1 . 1 32 32 ASN H H 1 8.375 0.002 . 1 . . . . . 327 N H . 53993 3 84 . 1 . 1 32 32 ASN C C 13 175.429 0.000 . 1 . . . . . 327 N C . 53993 3 85 . 1 . 1 32 32 ASN N N 15 118.917 0.017 . 1 . . . . . 327 N N . 53993 3 86 . 1 . 1 33 33 ILE H H 1 8.131 0.003 . 1 . . . . . 328 I H . 53993 3 87 . 1 . 1 33 33 ILE C C 13 175.912 0.000 . 1 . . . . . 328 I C . 53993 3 88 . 1 . 1 33 33 ILE N N 15 120.801 0.011 . 1 . . . . . 328 I N . 53993 3 89 . 1 . 1 34 34 HIS H H 1 8.428 0.001 . 1 . . . . . 329 H H . 53993 3 90 . 1 . 1 34 34 HIS C C 13 176.894 0.000 . 1 . . . . . 329 H C . 53993 3 91 . 1 . 1 34 34 HIS N N 15 123.243 0.015 . 1 . . . . . 329 H N . 53993 3 92 . 1 . 1 35 35 HIS H H 1 8.335 0.007 . 1 . . . . . 330 H H . 53993 3 93 . 1 . 1 35 35 HIS C C 13 175.605 0.000 . 1 . . . . . 330 H C . 53993 3 94 . 1 . 1 35 35 HIS N N 15 121.320 0.208 . 1 . . . . . 330 H N . 53993 3 95 . 1 . 1 36 36 LYS H H 1 8.445 0.002 . 1 . . . . . 331 K H . 53993 3 96 . 1 . 1 36 36 LYS N N 15 124.864 0.013 . 1 . . . . . 331 K N . 53993 3 97 . 1 . 1 37 37 PRO C C 13 177.730 0.000 . 1 . . . . . 332 P C . 53993 3 98 . 1 . 1 38 38 GLY H H 1 8.785 0.000 . 1 . . . . . 333 G H . 53993 3 99 . 1 . 1 38 38 GLY C C 13 174.895 0.000 . 1 . . . . . 333 G C . 53993 3 100 . 1 . 1 38 38 GLY N N 15 110.859 0.024 . 1 . . . . . 333 G N . 53993 3 101 . 1 . 1 39 39 GLY H H 1 8.486 0.005 . 1 . . . . . 334 G H . 53993 3 102 . 1 . 1 39 39 GLY C C 13 174.895 0.000 . 1 . . . . . 334 G C . 53993 3 103 . 1 . 1 39 39 GLY N N 15 109.043 0.036 . 1 . . . . . 334 G N . 53993 3 104 . 1 . 1 40 40 GLY H H 1 8.489 0.002 . 1 . . . . . 335 G H . 53993 3 105 . 1 . 1 40 40 GLY C C 13 174.048 0.000 . 1 . . . . . 335 G C . 53993 3 106 . 1 . 1 40 40 GLY N N 15 109.003 0.004 . 1 . . . . . 335 G N . 53993 3 107 . 1 . 1 41 41 GLN H H 1 8.392 0.003 . 1 . . . . . 336 Q H . 53993 3 108 . 1 . 1 41 41 GLN C C 13 176.030 0.000 . 1 . . . . . 336 Q C . 53993 3 109 . 1 . 1 41 41 GLN N N 15 120.075 0.003 . 1 . . . . . 336 Q N . 53993 3 110 . 1 . 1 42 42 VAL H H 1 8.370 0.002 . 1 . . . . . 337 V H . 53993 3 111 . 1 . 1 42 42 VAL C C 13 176.022 0.000 . 1 . . . . . 337 V C . 53993 3 112 . 1 . 1 42 42 VAL N N 15 122.308 0.013 . 1 . . . . . 337 V N . 53993 3 113 . 1 . 1 43 43 GLU H H 1 8.652 0.003 . 1 . . . . . 338 E H . 53993 3 114 . 1 . 1 43 43 GLU C C 13 176.548 0.000 . 1 . . . . . 338 E C . 53993 3 115 . 1 . 1 43 43 GLU N N 15 126.045 0.018 . 1 . . . . . 338 E N . 53993 3 116 . 1 . 1 44 44 VAL H H 1 8.483 0.037 . 1 . . . . . 339 V H . 53993 3 117 . 1 . 1 44 44 VAL C C 13 176.172 0.000 . 1 . . . . . 339 V C . 53993 3 118 . 1 . 1 44 44 VAL N N 15 123.720 0.026 . 1 . . . . . 339 V N . 53993 3 119 . 1 . 1 45 45 LYS H H 1 8.658 0.003 . 1 . . . . . 340 K H . 53993 3 120 . 1 . 1 45 45 LYS C C 13 176.508 0.000 . 1 . . . . . 340 K C . 53993 3 121 . 1 . 1 45 45 LYS N N 15 126.858 0.015 . 1 . . . . . 340 K N . 53993 3 122 . 1 . 1 46 46 SER H H 1 8.540 0.002 . 1 . . . . . 341 S H . 53993 3 123 . 1 . 1 46 46 SER C C 13 174.593 0.000 . 1 . . . . . 341 S C . 53993 3 124 . 1 . 1 46 46 SER N N 15 118.122 0.022 . 1 . . . . . 341 S N . 53993 3 125 . 1 . 1 47 47 GLU H H 1 8.666 0.004 . 1 . . . . . 342 E H . 53993 3 126 . 1 . 1 47 47 GLU C C 13 176.356 0.000 . 1 . . . . . 342 E C . 53993 3 127 . 1 . 1 47 47 GLU N N 15 123.760 0.003 . 1 . . . . . 342 E N . 53993 3 128 . 1 . 1 48 48 LYS H H 1 8.463 0.002 . 1 . . . . . 343 K H . 53993 3 129 . 1 . 1 48 48 LYS C C 13 176.533 0.000 . 1 . . . . . 343 K C . 53993 3 130 . 1 . 1 48 48 LYS N N 15 122.677 0.012 . 1 . . . . . 343 K N . 53993 3 131 . 1 . 1 49 49 LEU H H 1 8.381 0.003 . 1 . . . . . 344 L H . 53993 3 132 . 1 . 1 49 49 LEU C C 13 176.892 0.000 . 1 . . . . . 344 L C . 53993 3 133 . 1 . 1 49 49 LEU N N 15 123.948 0.034 . 1 . . . . . 344 L N . 53993 3 134 . 1 . 1 50 50 ASP H H 1 8.445 0.003 . 1 . . . . . 345 D H . 53993 3 135 . 1 . 1 50 50 ASP C C 13 176.134 0.000 . 1 . . . . . 345 D C . 53993 3 136 . 1 . 1 50 50 ASP N N 15 121.523 0.020 . 1 . . . . . 345 D N . 53993 3 137 . 1 . 1 51 51 PHE H H 1 8.335 0.001 . 1 . . . . . 346 F H . 53993 3 138 . 1 . 1 51 51 PHE C C 13 175.351 0.000 . 1 . . . . . 346 F C . 53993 3 139 . 1 . 1 51 51 PHE N N 15 121.333 0.180 . 1 . . . . . 346 F N . 53993 3 140 . 1 . 1 52 52 LYS H H 1 8.329 0.008 . 1 . . . . . 347 K H . 53993 3 141 . 1 . 1 52 52 LYS C C 13 176.346 0.000 . 1 . . . . . 347 K C . 53993 3 142 . 1 . 1 52 52 LYS N N 15 122.246 0.036 . 1 . . . . . 347 K N . 53993 3 143 . 1 . 1 53 53 ASP H H 1 8.253 0.004 . 1 . . . . . 348 D H . 53993 3 144 . 1 . 1 53 53 ASP C C 13 176.183 0.000 . 1 . . . . . 348 D C . 53993 3 145 . 1 . 1 53 53 ASP N N 15 120.345 0.016 . 1 . . . . . 348 D N . 53993 3 146 . 1 . 1 54 54 ARG H H 1 8.154 0.016 . 1 . . . . . 349 R H . 53993 3 147 . 1 . 1 54 54 ARG C C 13 174.978 0.000 . 1 . . . . . 349 R C . 53993 3 148 . 1 . 1 54 54 ARG N N 15 121.116 0.030 . 1 . . . . . 349 R N . 53993 3 149 . 1 . 1 55 55 VAL H H 1 8.250 0.000 . 1 . . . . . 350 V H . 53993 3 150 . 1 . 1 55 55 VAL C C 13 176.486 0.000 . 1 . . . . . 350 V C . 53993 3 151 . 1 . 1 55 55 VAL N N 15 121.775 0.008 . 1 . . . . . 350 V N . 53993 3 152 . 1 . 1 56 56 GLN H H 1 8.642 0.003 . 1 . . . . . 351 Q H . 53993 3 153 . 1 . 1 56 56 GLN C C 13 176.104 0.000 . 1 . . . . . 351 Q C . 53993 3 154 . 1 . 1 56 56 GLN N N 15 124.838 0.017 . 1 . . . . . 351 Q N . 53993 3 155 . 1 . 1 57 57 SER H H 1 8.498 0.002 . 1 . . . . . 352 S H . 53993 3 156 . 1 . 1 57 57 SER C C 13 174.536 0.000 . 1 . . . . . 352 S C . 53993 3 157 . 1 . 1 57 57 SER N N 15 117.980 0.012 . 1 . . . . . 352 S N . 53993 3 158 . 1 . 1 58 58 LYS H H 1 8.500 0.027 . 1 . . . . . 353 K H . 53993 3 159 . 1 . 1 58 58 LYS C C 13 176.506 0.000 . 1 . . . . . 353 K C . 53993 3 160 . 1 . 1 58 58 LYS N N 15 123.864 0.132 . 1 . . . . . 353 K N . 53993 3 161 . 1 . 1 59 59 ILE H H 1 8.310 0.001 . 1 . . . . . 354 I H . 53993 3 162 . 1 . 1 59 59 ILE C C 13 176.970 0.000 . 1 . . . . . 354 I C . 53993 3 163 . 1 . 1 59 59 ILE N N 15 122.174 0.037 . 1 . . . . . 354 I N . 53993 3 164 . 1 . 1 60 60 GLY H H 1 8.676 0.003 . 1 . . . . . 355 G H . 53993 3 165 . 1 . 1 60 60 GLY C C 13 174.194 0.000 . 1 . . . . . 355 G C . 53993 3 166 . 1 . 1 60 60 GLY N N 15 113.916 0.020 . 1 . . . . . 355 G N . 53993 3 167 . 1 . 1 61 61 SER H H 1 8.281 0.003 . 1 . . . . . 356 S H . 53993 3 168 . 1 . 1 61 61 SER C C 13 175.025 0.000 . 1 . . . . . 356 S C . 53993 3 169 . 1 . 1 61 61 SER N N 15 115.757 0.005 . 1 . . . . . 356 S N . 53993 3 170 . 1 . 1 62 62 LEU H H 1 8.554 0.003 . 1 . . . . . 357 L H . 53993 3 171 . 1 . 1 62 62 LEU C C 13 177.330 0.000 . 1 . . . . . 357 L C . 53993 3 172 . 1 . 1 62 62 LEU N N 15 124.233 0.003 . 1 . . . . . 357 L N . 53993 3 173 . 1 . 1 63 63 ASP H H 1 8.296 0.003 . 1 . . . . . 358 D H . 53993 3 174 . 1 . 1 63 63 ASP C C 13 173.774 0.000 . 1 . . . . . 358 D C . 53993 3 175 . 1 . 1 63 63 ASP N N 15 120.404 0.018 . 1 . . . . . 358 D N . 53993 3 176 . 1 . 1 64 64 ASN H H 1 8.359 0.002 . 1 . . . . . 359 N H . 53993 3 177 . 1 . 1 64 64 ASN C C 13 175.161 0.000 . 1 . . . . . 359 N C . 53993 3 178 . 1 . 1 64 64 ASN N N 15 118.817 0.005 . 1 . . . . . 359 N N . 53993 3 179 . 1 . 1 65 65 ILE H H 1 8.153 0.024 . 1 . . . . . 360 I H . 53993 3 180 . 1 . 1 65 65 ILE C C 13 176.538 0.000 . 1 . . . . . 360 I C . 53993 3 181 . 1 . 1 65 65 ILE N N 15 121.109 0.040 . 1 . . . . . 360 I N . 53993 3 182 . 1 . 1 66 66 THR H H 1 8.370 0.002 . 1 . . . . . 361 T H . 53993 3 183 . 1 . 1 66 66 THR C C 13 174.096 0.000 . 1 . . . . . 361 T C . 53993 3 184 . 1 . 1 66 66 THR N N 15 118.349 0.025 . 1 . . . . . 361 T N . 53993 3 185 . 1 . 1 67 67 HIS H H 1 8.480 0.001 . 1 . . . . . 362 H H . 53993 3 186 . 1 . 1 67 67 HIS C C 13 173.737 0.000 . 1 . . . . . 362 H C . 53993 3 187 . 1 . 1 67 67 HIS N N 15 123.523 0.010 . 1 . . . . . 362 H N . 53993 3 188 . 1 . 1 68 68 VAL H H 1 8.277 0.002 . 1 . . . . . 363 V H . 53993 3 189 . 1 . 1 68 68 VAL N N 15 124.401 0.003 . 1 . . . . . 363 V N . 53993 3 190 . 1 . 1 69 69 PRO C C 13 177.737 0.000 . 1 . . . . . 364 P C . 53993 3 191 . 1 . 1 70 70 GLY H H 1 8.758 0.003 . 1 . . . . . 365 G H . 53993 3 192 . 1 . 1 70 70 GLY C C 13 174.737 0.000 . 1 . . . . . 365 G C . 53993 3 193 . 1 . 1 70 70 GLY N N 15 110.518 0.013 . 1 . . . . . 365 G N . 53993 3 194 . 1 . 1 71 71 GLY H H 1 8.505 0.018 . 1 . . . . . 366 G H . 53993 3 195 . 1 . 1 71 71 GLY C C 13 174.563 0.000 . 1 . . . . . 366 G C . 53993 3 196 . 1 . 1 71 71 GLY N N 15 109.037 0.038 . 1 . . . . . 366 G N . 53993 3 197 . 1 . 1 72 72 GLY H H 1 8.490 0.003 . 1 . . . . . 367 G H . 53993 3 198 . 1 . 1 72 72 GLY C C 13 173.971 0.000 . 1 . . . . . 367 G C . 53993 3 199 . 1 . 1 72 72 GLY N N 15 108.983 0.016 . 1 . . . . . 367 G N . 53993 3 200 . 1 . 1 73 73 ASN H H 1 8.470 0.003 . 1 . . . . . 368 N H . 53993 3 201 . 1 . 1 73 73 ASN C C 13 175.319 0.000 . 1 . . . . . 368 N C . 53993 3 202 . 1 . 1 73 73 ASN N N 15 118.690 0.002 . 1 . . . . . 368 N N . 53993 3 203 . 1 . 1 74 74 LYS H H 1 8.425 0.004 . 1 . . . . . 369 K H . 53993 3 204 . 1 . 1 74 74 LYS C C 13 176.461 0.000 . 1 . . . . . 369 K C . 53993 3 205 . 1 . 1 74 74 LYS N N 15 122.192 0.012 . 1 . . . . . 369 K N . 53993 3 206 . 1 . 1 75 75 LYS H H 1 8.495 0.015 . 1 . . . . . 370 K H . 53993 3 207 . 1 . 1 75 75 LYS C C 13 175.076 0.000 . 1 . . . . . 370 K C . 53993 3 208 . 1 . 1 75 75 LYS N N 15 123.748 0.031 . 1 . . . . . 370 K N . 53993 3 209 . 1 . 1 76 76 ILE H H 1 8.343 0.005 . 1 . . . . . 371 I H . 53993 3 210 . 1 . 1 76 76 ILE C C 13 176.317 0.000 . 1 . . . . . 371 I C . 53993 3 211 . 1 . 1 76 76 ILE N N 15 123.550 0.000 . 1 . . . . . 371 I N . 53993 3 212 . 1 . 1 77 77 GLU H H 1 8.689 0.003 . 1 . . . . . 372 E H . 53993 3 213 . 1 . 1 77 77 GLU C C 13 175.737 0.000 . 1 . . . . . 372 E C . 53993 3 214 . 1 . 1 77 77 GLU N N 15 126.358 0.025 . 1 . . . . . 372 E N . 53993 3 215 . 1 . 1 78 78 THR H H 1 8.349 0.006 . 1 . . . . . 373 T H . 53993 3 216 . 1 . 1 78 78 THR C C 13 174.518 0.000 . 1 . . . . . 373 T C . 53993 3 217 . 1 . 1 78 78 THR N N 15 115.855 0.019 . 1 . . . . . 373 T N . 53993 3 218 . 1 . 1 79 79 HIS H H 1 8.483 0.002 . 1 . . . . . 374 H H . 53993 3 219 . 1 . 1 79 79 HIS C C 13 176.745 0.000 . 1 . . . . . 374 H C . 53993 3 220 . 1 . 1 79 79 HIS N N 15 122.131 0.007 . 1 . . . . . 374 H N . 53993 3 221 . 1 . 1 80 80 LYS H H 1 8.303 0.002 . 1 . . . . . 375 K H . 53993 3 222 . 1 . 1 80 80 LYS C C 13 177.036 0.000 . 1 . . . . . 375 K C . 53993 3 223 . 1 . 1 80 80 LYS N N 15 122.799 0.027 . 1 . . . . . 375 K N . 53993 3 224 . 1 . 1 81 81 LEU H H 1 8.442 0.002 . 1 . . . . . 376 L H . 53993 3 225 . 1 . 1 81 81 LEU C C 13 177.551 0.000 . 1 . . . . . 376 L C . 53993 3 226 . 1 . 1 81 81 LEU N N 15 123.641 0.122 . 1 . . . . . 376 L N . 53993 3 227 . 1 . 1 82 82 THR H H 1 8.191 0.001 . 1 . . . . . 377 T H . 53993 3 228 . 1 . 1 82 82 THR C C 13 174.187 0.000 . 1 . . . . . 377 T C . 53993 3 229 . 1 . 1 82 82 THR N N 15 115.039 0.016 . 1 . . . . . 377 T N . 53993 3 230 . 1 . 1 83 83 PHE H H 1 8.418 0.001 . 1 . . . . . 378 F H . 53993 3 231 . 1 . 1 83 83 PHE C C 13 175.649 0.000 . 1 . . . . . 378 F C . 53993 3 232 . 1 . 1 83 83 PHE N N 15 123.075 0.012 . 1 . . . . . 378 F N . 53993 3 233 . 1 . 1 84 84 ARG H H 1 8.278 0.001 . 1 . . . . . 379 R H . 53993 3 234 . 1 . 1 84 84 ARG C C 13 176.038 0.000 . 1 . . . . . 379 R C . 53993 3 235 . 1 . 1 84 84 ARG N N 15 123.448 0.035 . 1 . . . . . 379 R N . 53993 3 236 . 1 . 1 85 85 GLU H H 1 8.491 0.006 . 1 . . . . . 380 E H . 53993 3 237 . 1 . 1 85 85 GLU C C 13 176.513 0.000 . 1 . . . . . 380 E C . 53993 3 238 . 1 . 1 85 85 GLU N N 15 122.406 0.013 . 1 . . . . . 380 E N . 53993 3 239 . 1 . 1 86 86 ASN H H 1 8.608 0.003 . 1 . . . . . 381 N H . 53993 3 240 . 1 . 1 86 86 ASN C C 13 175.203 0.000 . 1 . . . . . 381 N C . 53993 3 241 . 1 . 1 86 86 ASN N N 15 120.008 0.004 . 1 . . . . . 381 N N . 53993 3 242 . 1 . 1 87 87 ALA H H 1 8.346 0.003 . 1 . . . . . 382 A H . 53993 3 243 . 1 . 1 87 87 ALA C C 13 177.926 0.000 . 1 . . . . . 382 A C . 53993 3 244 . 1 . 1 87 87 ALA N N 15 124.549 0.002 . 1 . . . . . 382 A N . 53993 3 245 . 1 . 1 88 88 LYS H H 1 8.311 0.004 . 1 . . . . . 383 K H . 53993 3 246 . 1 . 1 88 88 LYS C C 13 176.553 0.000 . 1 . . . . . 383 K C . 53993 3 247 . 1 . 1 88 88 LYS N N 15 120.576 0.006 . 1 . . . . . 383 K N . 53993 3 248 . 1 . 1 89 89 ALA H H 1 8.346 0.003 . 1 . . . . . 384 A H . 53993 3 249 . 1 . 1 89 89 ALA C C 13 177.915 0.000 . 1 . . . . . 384 A C . 53993 3 250 . 1 . 1 89 89 ALA N N 15 125.399 0.011 . 1 . . . . . 384 A N . 53993 3 251 . 1 . 1 90 90 LYS H H 1 8.468 0.003 . 1 . . . . . 385 K H . 53993 3 252 . 1 . 1 90 90 LYS C C 13 176.984 0.000 . 1 . . . . . 385 K C . 53993 3 253 . 1 . 1 90 90 LYS N N 15 121.276 0.006 . 1 . . . . . 385 K N . 53993 3 254 . 1 . 1 91 91 THR H H 1 8.271 0.004 . 1 . . . . . 386 T H . 53993 3 255 . 1 . 1 91 91 THR C C 13 174.215 0.000 . 1 . . . . . 386 T C . 53993 3 256 . 1 . 1 91 91 THR N N 15 115.079 0.015 . 1 . . . . . 386 T N . 53993 3 257 . 1 . 1 92 92 ASP H H 1 8.424 0.003 . 1 . . . . . 387 D H . 53993 3 258 . 1 . 1 92 92 ASP C C 13 176.860 0.000 . 1 . . . . . 387 D C . 53993 3 259 . 1 . 1 92 92 ASP N N 15 122.763 0.008 . 1 . . . . . 387 D N . 53993 3 260 . 1 . 1 93 93 HIS H H 1 8.598 0.005 . 1 . . . . . 388 H H . 53993 3 261 . 1 . 1 93 93 HIS C C 13 175.839 0.000 . 1 . . . . . 388 H C . 53993 3 262 . 1 . 1 93 93 HIS N N 15 119.519 0.010 . 1 . . . . . 388 H N . 53993 3 263 . 1 . 1 94 94 GLY H H 1 8.535 0.003 . 1 . . . . . 389 G H . 53993 3 264 . 1 . 1 94 94 GLY C C 13 173.983 0.000 . 1 . . . . . 389 G C . 53993 3 265 . 1 . 1 94 94 GLY N N 15 110.370 0.009 . 1 . . . . . 389 G N . 53993 3 266 . 1 . 1 95 95 ALA H H 1 8.312 0.026 . 1 . . . . . 390 A H . 53993 3 267 . 1 . 1 95 95 ALA C C 13 176.996 0.000 . 1 . . . . . 390 A C . 53993 3 268 . 1 . 1 95 95 ALA N N 15 124.880 0.133 . 1 . . . . . 390 A N . 53993 3 269 . 1 . 1 96 96 GLU H H 1 8.136 0.001 . 1 . . . . . 391 E H . 53993 3 270 . 1 . 1 96 96 GLU N N 15 125.582 0.012 . 1 . . . . . 391 E N . 53993 3 stop_ save_ save_assigned_chemical_shifts_4 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_4 _Assigned_chem_shift_list.Entry_ID 53993 _Assigned_chem_shift_list.ID 4 _Assigned_chem_shift_list.Name assigned_chemical_shifts_4to1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _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 7 '2D 1H-15N HSQC' . . . 53993 4 8 '3D HNCO' . . . 53993 4 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 53993 4 2 $software_2 . . 53993 4 3 $software_3 . . 53993 4 4 $software_4 . . 53993 4 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 ILE C C 13 175.701 0.000 . 1 . . . . . 297 I C . 53993 4 2 . 1 . 1 3 3 LYS H H 1 8.572 0.003 . 1 . . . . . 298 K H . 53993 4 3 . 1 . 1 3 3 LYS C C 13 175.864 0.000 . 1 . . . . . 298 K C . 53993 4 4 . 1 . 1 3 3 LYS N N 15 126.853 0.020 . 1 . . . . . 298 K N . 53993 4 5 . 1 . 1 4 4 HIS H H 1 8.566 0.001 . 1 . . . . . 299 H H . 53993 4 6 . 1 . 1 4 4 HIS C C 13 174.858 0.000 . 1 . . . . . 299 H C . 53993 4 7 . 1 . 1 4 4 HIS N N 15 123.356 0.020 . 1 . . . . . 299 H N . 53993 4 8 . 1 . 1 5 5 VAL H H 1 8.288 0.001 . 1 . . . . . 300 V H . 53993 4 9 . 1 . 1 5 5 VAL N N 15 124.781 0.018 . 1 . . . . . 300 V N . 53993 4 10 . 1 . 1 6 6 PRO C C 13 177.727 0.000 . 1 . . . . . 301 P C . 53993 4 11 . 1 . 1 7 7 GLY H H 1 8.781 0.004 . 1 . . . . . 302 G H . 53993 4 12 . 1 . 1 7 7 GLY C C 13 174.972 0.000 . 1 . . . . . 302 G C . 53993 4 13 . 1 . 1 7 7 GLY N N 15 110.841 0.008 . 1 . . . . . 302 G N . 53993 4 14 . 1 . 1 8 8 GLY H H 1 8.448 0.002 . 1 . . . . . 303 G H . 53993 4 15 . 1 . 1 8 8 GLY C C 13 175.028 0.000 . 1 . . . . . 303 G C . 53993 4 16 . 1 . 1 8 8 GLY N N 15 108.923 0.017 . 1 . . . . . 303 G N . 53993 4 17 . 1 . 1 9 9 GLY H H 1 8.484 0.004 . 1 . . . . . 304 G H . 53993 4 18 . 1 . 1 9 9 GLY C C 13 174.154 0.000 . 1 . . . . . 304 G C . 53993 4 19 . 1 . 1 9 9 GLY N N 15 109.035 0.035 . 1 . . . . . 304 G N . 53993 4 20 . 1 . 1 10 10 SER H H 1 8.366 0.003 . 1 . . . . . 305 S H . 53993 4 21 . 1 . 1 10 10 SER C C 13 174.558 0.000 . 1 . . . . . 305 S C . 53993 4 22 . 1 . 1 10 10 SER N N 15 115.832 0.005 . 1 . . . . . 305 S N . 53993 4 23 . 1 . 1 11 11 VAL H H 1 8.328 0.000 . 1 . . . . . 306 V H . 53993 4 24 . 1 . 1 11 11 VAL C C 13 175.991 0.000 . 1 . . . . . 306 V C . 53993 4 25 . 1 . 1 11 11 VAL N N 15 122.198 0.068 . 1 . . . . . 306 V N . 53993 4 26 . 1 . 1 12 12 GLN H H 1 8.589 0.003 . 1 . . . . . 307 Q H . 53993 4 27 . 1 . 1 12 12 GLN C C 13 175.617 0.000 . 1 . . . . . 307 Q C . 53993 4 28 . 1 . 1 12 12 GLN N N 15 125.333 0.017 . 1 . . . . . 307 Q N . 53993 4 29 . 1 . 1 13 13 ILE H H 1 8.385 0.005 . 1 . . . . . 308 I H . 53993 4 30 . 1 . 1 13 13 ILE C C 13 175.059 0.000 . 1 . . . . . 308 I C . 53993 4 31 . 1 . 1 13 13 ILE N N 15 124.225 0.206 . 1 . . . . . 308 I N . 53993 4 32 . 1 . 1 14 14 VAL H H 1 8.303 0.002 . 1 . . . . . 309 V H . 53993 4 33 . 1 . 1 14 14 VAL C C 13 175.495 0.000 . 1 . . . . . 309 V C . 53993 4 34 . 1 . 1 14 14 VAL N N 15 125.319 0.024 . 1 . . . . . 309 V N . 53993 4 35 . 1 . 1 15 15 TYR H H 1 8.619 0.002 . 1 . . . . . 310 Y H . 53993 4 36 . 1 . 1 15 15 TYR C C 13 175.783 0.000 . 1 . . . . . 310 Y C . 53993 4 37 . 1 . 1 15 15 TYR N N 15 126.803 0.015 . 1 . . . . . 310 Y N . 53993 4 38 . 1 . 1 16 16 LYS H H 1 8.361 0.003 . 1 . . . . . 311 K H . 53993 4 39 . 1 . 1 16 16 LYS N N 15 126.446 0.028 . 1 . . . . . 311 K N . 53993 4 40 . 1 . 1 17 17 PRO C C 13 176.894 0.000 . 1 . . . . . 312 P C . 53993 4 41 . 1 . 1 18 18 VAL H H 1 8.326 0.017 . 1 . . . . . 313 V H . 53993 4 42 . 1 . 1 18 18 VAL C C 13 175.657 0.000 . 1 . . . . . 313 V C . 53993 4 43 . 1 . 1 18 18 VAL N N 15 121.072 0.039 . 1 . . . . . 313 V N . 53993 4 44 . 1 . 1 19 19 ASP H H 1 8.534 0.002 . 1 . . . . . 314 D H . 53993 4 45 . 1 . 1 19 19 ASP C C 13 176.742 0.000 . 1 . . . . . 314 D C . 53993 4 46 . 1 . 1 19 19 ASP N N 15 124.797 0.012 . 1 . . . . . 314 D N . 53993 4 47 . 1 . 1 20 20 LEU H H 1 8.712 0.001 . 1 . . . . . 315 L H . 53993 4 48 . 1 . 1 20 20 LEU C C 13 178.143 0.000 . 1 . . . . . 315 L C . 53993 4 49 . 1 . 1 20 20 LEU N N 15 125.902 0.010 . 1 . . . . . 315 L N . 53993 4 50 . 1 . 1 21 21 SER H H 1 8.526 0.004 . 1 . . . . . 316 S H . 53993 4 51 . 1 . 1 21 21 SER C C 13 175.047 0.000 . 1 . . . . . 316 S C . 53993 4 52 . 1 . 1 21 21 SER N N 15 116.365 0.017 . 1 . . . . . 316 S N . 53993 4 53 . 1 . 1 22 22 LYS H H 1 8.043 0.002 . 1 . . . . . 317 K H . 53993 4 54 . 1 . 1 22 22 LYS C C 13 176.709 0.000 . 1 . . . . . 317 K C . 53993 4 55 . 1 . 1 22 22 LYS N N 15 122.148 0.006 . 1 . . . . . 317 K N . 53993 4 56 . 1 . 1 23 23 VAL H H 1 8.007 0.003 . 1 . . . . . 318 V H . 53993 4 57 . 1 . 1 23 23 VAL C C 13 176.663 0.000 . 1 . . . . . 318 V C . 53993 4 58 . 1 . 1 23 23 VAL N N 15 121.192 0.026 . 1 . . . . . 318 V N . 53993 4 59 . 1 . 1 24 24 THR H H 1 8.380 0.003 . 1 . . . . . 319 T H . 53993 4 60 . 1 . 1 24 24 THR C C 13 175.939 0.000 . 1 . . . . . 319 T C . 53993 4 61 . 1 . 1 24 24 THR N N 15 118.117 0.018 . 1 . . . . . 319 T N . 53993 4 62 . 1 . 1 25 25 SER H H 1 8.386 0.003 . 1 . . . . . 320 S H . 53993 4 63 . 1 . 1 25 25 SER C C 13 174.714 0.000 . 1 . . . . . 320 S C . 53993 4 64 . 1 . 1 25 25 SER N N 15 118.740 0.003 . 1 . . . . . 320 S N . 53993 4 65 . 1 . 1 26 26 LYS H H 1 8.575 0.008 . 1 . . . . . 321 K H . 53993 4 66 . 1 . 1 26 26 LYS C C 13 176.107 0.000 . 1 . . . . . 321 K C . 53993 4 67 . 1 . 1 26 26 LYS N N 15 123.645 0.049 . 1 . . . . . 321 K N . 53993 4 68 . 1 . 1 27 27 CYS H H 1 8.452 0.002 . 1 . . . . . 322 C H . 53993 4 69 . 1 . 1 27 27 CYS C C 13 175.360 0.000 . 1 . . . . . 322 C C . 53993 4 70 . 1 . 1 27 27 CYS N N 15 120.280 0.007 . 1 . . . . . 322 C N . 53993 4 71 . 1 . 1 28 28 GLY H H 1 8.601 0.002 . 1 . . . . . 323 G H . 53993 4 72 . 1 . 1 28 28 GLY C C 13 176.629 0.000 . 1 . . . . . 323 G C . 53993 4 73 . 1 . 1 28 28 GLY N N 15 111.149 0.005 . 1 . . . . . 323 G N . 53993 4 74 . 1 . 1 29 29 SER H H 1 8.384 0.005 . 1 . . . . . 324 S H . 53993 4 75 . 1 . 1 29 29 SER C C 13 176.183 0.000 . 1 . . . . . 324 S C . 53993 4 76 . 1 . 1 29 29 SER N N 15 116.196 0.006 . 1 . . . . . 324 S N . 53993 4 77 . 1 . 1 30 30 LEU H H 1 8.518 0.002 . 1 . . . . . 325 L H . 53993 4 78 . 1 . 1 30 30 LEU C C 13 178.010 0.000 . 1 . . . . . 325 L C . 53993 4 79 . 1 . 1 30 30 LEU N N 15 124.080 0.005 . 1 . . . . . 325 L N . 53993 4 80 . 1 . 1 31 31 GLY H H 1 8.439 0.000 . 1 . . . . . 326 G H . 53993 4 81 . 1 . 1 31 31 GLY C C 13 176.497 0.000 . 1 . . . . . 326 G C . 53993 4 82 . 1 . 1 31 31 GLY N N 15 109.000 0.037 . 1 . . . . . 326 G N . 53993 4 83 . 1 . 1 32 32 ASN H H 1 8.378 0.003 . 1 . . . . . 327 N H . 53993 4 84 . 1 . 1 32 32 ASN C C 13 175.432 0.000 . 1 . . . . . 327 N C . 53993 4 85 . 1 . 1 32 32 ASN N N 15 118.954 0.019 . 1 . . . . . 327 N N . 53993 4 86 . 1 . 1 33 33 ILE H H 1 8.132 0.003 . 1 . . . . . 328 I H . 53993 4 87 . 1 . 1 33 33 ILE C C 13 175.901 0.000 . 1 . . . . . 328 I C . 53993 4 88 . 1 . 1 33 33 ILE N N 15 120.794 0.011 . 1 . . . . . 328 I N . 53993 4 89 . 1 . 1 34 34 HIS H H 1 8.421 0.006 . 1 . . . . . 329 H H . 53993 4 90 . 1 . 1 34 34 HIS C C 13 176.894 0.000 . 1 . . . . . 329 H C . 53993 4 91 . 1 . 1 34 34 HIS N N 15 123.273 0.015 . 1 . . . . . 329 H N . 53993 4 92 . 1 . 1 35 35 HIS H H 1 8.335 0.008 . 1 . . . . . 330 H H . 53993 4 93 . 1 . 1 35 35 HIS C C 13 175.602 0.000 . 1 . . . . . 330 H C . 53993 4 94 . 1 . 1 35 35 HIS N N 15 121.316 0.205 . 1 . . . . . 330 H N . 53993 4 95 . 1 . 1 36 36 LYS H H 1 8.445 0.002 . 1 . . . . . 331 K H . 53993 4 96 . 1 . 1 36 36 LYS N N 15 124.859 0.010 . 1 . . . . . 331 K N . 53993 4 97 . 1 . 1 37 37 PRO C C 13 177.727 0.000 . 1 . . . . . 332 P C . 53993 4 98 . 1 . 1 38 38 GLY H H 1 8.785 0.000 . 1 . . . . . 333 G H . 53993 4 99 . 1 . 1 38 38 GLY C C 13 174.879 0.000 . 1 . . . . . 333 G C . 53993 4 100 . 1 . 1 38 38 GLY N N 15 110.852 0.020 . 1 . . . . . 333 G N . 53993 4 101 . 1 . 1 39 39 GLY H H 1 8.488 0.000 . 1 . . . . . 334 G H . 53993 4 102 . 1 . 1 39 39 GLY C C 13 174.879 0.000 . 1 . . . . . 334 G C . 53993 4 103 . 1 . 1 39 39 GLY N N 15 109.001 0.005 . 1 . . . . . 334 G N . 53993 4 104 . 1 . 1 40 40 GLY H H 1 8.488 0.000 . 1 . . . . . 335 G H . 53993 4 105 . 1 . 1 40 40 GLY C C 13 174.045 0.000 . 1 . . . . . 335 G C . 53993 4 106 . 1 . 1 40 40 GLY N N 15 109.001 0.005 . 1 . . . . . 335 G N . 53993 4 107 . 1 . 1 41 41 GLN H H 1 8.392 0.003 . 1 . . . . . 336 Q H . 53993 4 108 . 1 . 1 41 41 GLN C C 13 176.029 0.000 . 1 . . . . . 336 Q C . 53993 4 109 . 1 . 1 41 41 GLN N N 15 120.072 0.004 . 1 . . . . . 336 Q N . 53993 4 110 . 1 . 1 42 42 VAL H H 1 8.370 0.002 . 1 . . . . . 337 V H . 53993 4 111 . 1 . 1 42 42 VAL C C 13 176.020 0.000 . 1 . . . . . 337 V C . 53993 4 112 . 1 . 1 42 42 VAL N N 15 122.305 0.011 . 1 . . . . . 337 V N . 53993 4 113 . 1 . 1 43 43 GLU H H 1 8.651 0.003 . 1 . . . . . 338 E H . 53993 4 114 . 1 . 1 43 43 GLU C C 13 176.537 0.000 . 1 . . . . . 338 E C . 53993 4 115 . 1 . 1 43 43 GLU N N 15 126.040 0.015 . 1 . . . . . 338 E N . 53993 4 116 . 1 . 1 44 44 VAL H H 1 8.474 0.046 . 1 . . . . . 339 V H . 53993 4 117 . 1 . 1 44 44 VAL C C 13 176.173 0.000 . 1 . . . . . 339 V C . 53993 4 118 . 1 . 1 44 44 VAL N N 15 123.715 0.024 . 1 . . . . . 339 V N . 53993 4 119 . 1 . 1 45 45 LYS H H 1 8.657 0.003 . 1 . . . . . 340 K H . 53993 4 120 . 1 . 1 45 45 LYS C C 13 176.506 0.000 . 1 . . . . . 340 K C . 53993 4 121 . 1 . 1 45 45 LYS N N 15 126.854 0.012 . 1 . . . . . 340 K N . 53993 4 122 . 1 . 1 46 46 SER H H 1 8.539 0.002 . 1 . . . . . 341 S H . 53993 4 123 . 1 . 1 46 46 SER C C 13 174.591 0.000 . 1 . . . . . 341 S C . 53993 4 124 . 1 . 1 46 46 SER N N 15 118.123 0.023 . 1 . . . . . 341 S N . 53993 4 125 . 1 . 1 47 47 GLU H H 1 8.667 0.003 . 1 . . . . . 342 E H . 53993 4 126 . 1 . 1 47 47 GLU C C 13 176.357 0.000 . 1 . . . . . 342 E C . 53993 4 127 . 1 . 1 47 47 GLU N N 15 123.758 0.003 . 1 . . . . . 342 E N . 53993 4 128 . 1 . 1 48 48 LYS H H 1 8.461 0.003 . 1 . . . . . 343 K H . 53993 4 129 . 1 . 1 48 48 LYS C C 13 176.533 0.000 . 1 . . . . . 343 K C . 53993 4 130 . 1 . 1 48 48 LYS N N 15 122.672 0.009 . 1 . . . . . 343 K N . 53993 4 131 . 1 . 1 49 49 LEU H H 1 8.381 0.003 . 1 . . . . . 344 L H . 53993 4 132 . 1 . 1 49 49 LEU C C 13 176.887 0.000 . 1 . . . . . 344 L C . 53993 4 133 . 1 . 1 49 49 LEU N N 15 123.963 0.023 . 1 . . . . . 344 L N . 53993 4 134 . 1 . 1 50 50 ASP H H 1 8.445 0.003 . 1 . . . . . 345 D H . 53993 4 135 . 1 . 1 50 50 ASP C C 13 176.133 0.000 . 1 . . . . . 345 D C . 53993 4 136 . 1 . 1 50 50 ASP N N 15 121.519 0.023 . 1 . . . . . 345 D N . 53993 4 137 . 1 . 1 51 51 PHE H H 1 8.335 0.002 . 1 . . . . . 346 F H . 53993 4 138 . 1 . 1 51 51 PHE C C 13 175.409 0.000 . 1 . . . . . 346 F C . 53993 4 139 . 1 . 1 51 51 PHE N N 15 121.329 0.178 . 1 . . . . . 346 F N . 53993 4 140 . 1 . 1 52 52 LYS H H 1 8.328 0.005 . 1 . . . . . 347 K H . 53993 4 141 . 1 . 1 52 52 LYS C C 13 176.345 0.000 . 1 . . . . . 347 K C . 53993 4 142 . 1 . 1 52 52 LYS N N 15 122.263 0.015 . 1 . . . . . 347 K N . 53993 4 143 . 1 . 1 53 53 ASP H H 1 8.253 0.003 . 1 . . . . . 348 D H . 53993 4 144 . 1 . 1 53 53 ASP C C 13 176.185 0.000 . 1 . . . . . 348 D C . 53993 4 145 . 1 . 1 53 53 ASP N N 15 120.346 0.019 . 1 . . . . . 348 D N . 53993 4 146 . 1 . 1 54 54 ARG H H 1 8.155 0.019 . 1 . . . . . 349 R H . 53993 4 147 . 1 . 1 54 54 ARG C C 13 175.011 0.000 . 1 . . . . . 349 R C . 53993 4 148 . 1 . 1 54 54 ARG N N 15 121.126 0.023 . 1 . . . . . 349 R N . 53993 4 149 . 1 . 1 55 55 VAL H H 1 8.237 0.005 . 1 . . . . . 350 V H . 53993 4 150 . 1 . 1 55 55 VAL C C 13 176.486 0.000 . 1 . . . . . 350 V C . 53993 4 151 . 1 . 1 55 55 VAL N N 15 121.817 0.007 . 1 . . . . . 350 V N . 53993 4 152 . 1 . 1 56 56 GLN H H 1 8.642 0.002 . 1 . . . . . 351 Q H . 53993 4 153 . 1 . 1 56 56 GLN C C 13 176.103 0.000 . 1 . . . . . 351 Q C . 53993 4 154 . 1 . 1 56 56 GLN N N 15 124.831 0.016 . 1 . . . . . 351 Q N . 53993 4 155 . 1 . 1 57 57 SER H H 1 8.498 0.002 . 1 . . . . . 352 S H . 53993 4 156 . 1 . 1 57 57 SER C C 13 174.535 0.000 . 1 . . . . . 352 S C . 53993 4 157 . 1 . 1 57 57 SER N N 15 117.976 0.011 . 1 . . . . . 352 S N . 53993 4 158 . 1 . 1 58 58 LYS H H 1 8.500 0.027 . 1 . . . . . 353 K H . 53993 4 159 . 1 . 1 58 58 LYS C C 13 176.504 0.000 . 1 . . . . . 353 K C . 53993 4 160 . 1 . 1 58 58 LYS N N 15 123.862 0.131 . 1 . . . . . 353 K N . 53993 4 161 . 1 . 1 59 59 ILE H H 1 8.311 0.000 . 1 . . . . . 354 I H . 53993 4 162 . 1 . 1 59 59 ILE C C 13 176.967 0.000 . 1 . . . . . 354 I C . 53993 4 163 . 1 . 1 59 59 ILE N N 15 122.169 0.034 . 1 . . . . . 354 I N . 53993 4 164 . 1 . 1 60 60 GLY H H 1 8.677 0.003 . 1 . . . . . 355 G H . 53993 4 165 . 1 . 1 60 60 GLY C C 13 174.193 0.000 . 1 . . . . . 355 G C . 53993 4 166 . 1 . 1 60 60 GLY N N 15 113.918 0.018 . 1 . . . . . 355 G N . 53993 4 167 . 1 . 1 61 61 SER H H 1 8.282 0.003 . 1 . . . . . 356 S H . 53993 4 168 . 1 . 1 61 61 SER C C 13 175.025 0.000 . 1 . . . . . 356 S C . 53993 4 169 . 1 . 1 61 61 SER N N 15 115.758 0.006 . 1 . . . . . 356 S N . 53993 4 170 . 1 . 1 62 62 LEU H H 1 8.556 0.002 . 1 . . . . . 357 L H . 53993 4 171 . 1 . 1 62 62 LEU C C 13 177.328 0.000 . 1 . . . . . 357 L C . 53993 4 172 . 1 . 1 62 62 LEU N N 15 124.232 0.001 . 1 . . . . . 357 L N . 53993 4 173 . 1 . 1 63 63 ASP H H 1 8.296 0.003 . 1 . . . . . 358 D H . 53993 4 174 . 1 . 1 63 63 ASP C C 13 173.772 0.000 . 1 . . . . . 358 D C . 53993 4 175 . 1 . 1 63 63 ASP N N 15 120.398 0.018 . 1 . . . . . 358 D N . 53993 4 176 . 1 . 1 64 64 ASN H H 1 8.357 0.002 . 1 . . . . . 359 N H . 53993 4 177 . 1 . 1 64 64 ASN C C 13 175.156 0.000 . 1 . . . . . 359 N C . 53993 4 178 . 1 . 1 64 64 ASN N N 15 118.811 0.000 . 1 . . . . . 359 N N . 53993 4 179 . 1 . 1 65 65 ILE H H 1 8.155 0.025 . 1 . . . . . 360 I H . 53993 4 180 . 1 . 1 65 65 ILE C C 13 176.535 0.000 . 1 . . . . . 360 I C . 53993 4 181 . 1 . 1 65 65 ILE N N 15 121.118 0.029 . 1 . . . . . 360 I N . 53993 4 182 . 1 . 1 66 66 THR H H 1 8.369 0.002 . 1 . . . . . 361 T H . 53993 4 183 . 1 . 1 66 66 THR C C 13 174.093 0.000 . 1 . . . . . 361 T C . 53993 4 184 . 1 . 1 66 66 THR N N 15 118.340 0.020 . 1 . . . . . 361 T N . 53993 4 185 . 1 . 1 67 67 HIS H H 1 8.475 0.001 . 1 . . . . . 362 H H . 53993 4 186 . 1 . 1 67 67 HIS C C 13 173.743 0.000 . 1 . . . . . 362 H C . 53993 4 187 . 1 . 1 67 67 HIS N N 15 123.611 0.001 . 1 . . . . . 362 H N . 53993 4 188 . 1 . 1 68 68 VAL H H 1 8.271 0.001 . 1 . . . . . 363 V H . 53993 4 189 . 1 . 1 68 68 VAL N N 15 124.391 0.002 . 1 . . . . . 363 V N . 53993 4 190 . 1 . 1 69 69 PRO C C 13 177.738 0.000 . 1 . . . . . 364 P C . 53993 4 191 . 1 . 1 70 70 GLY H H 1 8.758 0.002 . 1 . . . . . 365 G H . 53993 4 192 . 1 . 1 70 70 GLY C C 13 174.736 0.000 . 1 . . . . . 365 G C . 53993 4 193 . 1 . 1 70 70 GLY N N 15 110.513 0.014 . 1 . . . . . 365 G N . 53993 4 194 . 1 . 1 71 71 GLY H H 1 8.505 0.018 . 1 . . . . . 366 G H . 53993 4 195 . 1 . 1 71 71 GLY C C 13 174.557 0.000 . 1 . . . . . 366 G C . 53993 4 196 . 1 . 1 71 71 GLY N N 15 109.035 0.037 . 1 . . . . . 366 G N . 53993 4 197 . 1 . 1 72 72 GLY H H 1 8.489 0.003 . 1 . . . . . 367 G H . 53993 4 198 . 1 . 1 72 72 GLY C C 13 173.961 0.000 . 1 . . . . . 367 G C . 53993 4 199 . 1 . 1 72 72 GLY N N 15 108.982 0.015 . 1 . . . . . 367 G N . 53993 4 200 . 1 . 1 73 73 ASN H H 1 8.472 0.003 . 1 . . . . . 368 N H . 53993 4 201 . 1 . 1 73 73 ASN C C 13 175.295 0.000 . 1 . . . . . 368 N C . 53993 4 202 . 1 . 1 73 73 ASN N N 15 118.694 0.005 . 1 . . . . . 368 N N . 53993 4 203 . 1 . 1 74 74 LYS H H 1 8.431 0.002 . 1 . . . . . 369 K H . 53993 4 204 . 1 . 1 74 74 LYS C C 13 176.391 0.000 . 1 . . . . . 369 K C . 53993 4 205 . 1 . 1 74 74 LYS N N 15 122.229 0.014 . 1 . . . . . 369 K N . 53993 4 206 . 1 . 1 75 75 LYS H H 1 8.476 0.003 . 1 . . . . . 370 K H . 53993 4 207 . 1 . 1 75 75 LYS C C 13 175.071 0.000 . 1 . . . . . 370 K C . 53993 4 208 . 1 . 1 75 75 LYS N N 15 123.646 0.059 . 1 . . . . . 370 K N . 53993 4 209 . 1 . 1 76 76 ILE H H 1 8.347 0.005 . 1 . . . . . 371 I H . 53993 4 210 . 1 . 1 76 76 ILE C C 13 176.327 0.000 . 1 . . . . . 371 I C . 53993 4 211 . 1 . 1 76 76 ILE N N 15 123.562 0.009 . 1 . . . . . 371 I N . 53993 4 212 . 1 . 1 77 77 GLU H H 1 8.688 0.003 . 1 . . . . . 372 E H . 53993 4 213 . 1 . 1 77 77 GLU C C 13 175.733 0.000 . 1 . . . . . 372 E C . 53993 4 214 . 1 . 1 77 77 GLU N N 15 126.332 0.017 . 1 . . . . . 372 E N . 53993 4 215 . 1 . 1 78 78 THR H H 1 8.348 0.006 . 1 . . . . . 373 T H . 53993 4 216 . 1 . 1 78 78 THR C C 13 174.531 0.000 . 1 . . . . . 373 T C . 53993 4 217 . 1 . 1 78 78 THR N N 15 115.839 0.011 . 1 . . . . . 373 T N . 53993 4 218 . 1 . 1 79 79 HIS H H 1 8.477 0.012 . 1 . . . . . 374 H H . 53993 4 219 . 1 . 1 79 79 HIS C C 13 176.743 0.000 . 1 . . . . . 374 H C . 53993 4 220 . 1 . 1 79 79 HIS N N 15 122.213 0.016 . 1 . . . . . 374 H N . 53993 4 221 . 1 . 1 80 80 LYS H H 1 8.305 0.002 . 1 . . . . . 375 K H . 53993 4 222 . 1 . 1 80 80 LYS C C 13 176.961 0.000 . 1 . . . . . 375 K C . 53993 4 223 . 1 . 1 80 80 LYS N N 15 122.802 0.024 . 1 . . . . . 375 K N . 53993 4 224 . 1 . 1 81 81 LEU H H 1 8.434 0.009 . 1 . . . . . 376 L H . 53993 4 225 . 1 . 1 81 81 LEU C C 13 177.371 0.000 . 1 . . . . . 376 L C . 53993 4 226 . 1 . 1 81 81 LEU N N 15 123.779 0.078 . 1 . . . . . 376 L N . 53993 4 227 . 1 . 1 82 82 THR H H 1 8.209 0.012 . 1 . . . . . 377 T H . 53993 4 228 . 1 . 1 82 82 THR C C 13 174.228 0.000 . 1 . . . . . 377 T C . 53993 4 229 . 1 . 1 82 82 THR N N 15 115.060 0.051 . 1 . . . . . 377 T N . 53993 4 230 . 1 . 1 83 83 PHE H H 1 8.418 0.003 . 1 . . . . . 378 F H . 53993 4 231 . 1 . 1 83 83 PHE C C 13 175.685 0.000 . 1 . . . . . 378 F C . 53993 4 232 . 1 . 1 83 83 PHE N N 15 123.049 0.047 . 1 . . . . . 378 F N . 53993 4 233 . 1 . 1 84 84 ARG H H 1 8.287 0.008 . 1 . . . . . 379 R H . 53993 4 234 . 1 . 1 84 84 ARG C C 13 176.038 0.000 . 1 . . . . . 379 R C . 53993 4 235 . 1 . 1 84 84 ARG N N 15 123.428 0.043 . 1 . . . . . 379 R N . 53993 4 236 . 1 . 1 85 85 GLU H H 1 8.489 0.005 . 1 . . . . . 380 E H . 53993 4 237 . 1 . 1 85 85 GLU C C 13 176.467 0.000 . 1 . . . . . 380 E C . 53993 4 238 . 1 . 1 85 85 GLU N N 15 122.408 0.017 . 1 . . . . . 380 E N . 53993 4 239 . 1 . 1 86 86 ASN H H 1 8.605 0.006 . 1 . . . . . 381 N H . 53993 4 240 . 1 . 1 86 86 ASN C C 13 175.208 0.000 . 1 . . . . . 381 N C . 53993 4 241 . 1 . 1 86 86 ASN N N 15 120.053 0.036 . 1 . . . . . 381 N N . 53993 4 242 . 1 . 1 87 87 ALA H H 1 8.348 0.008 . 1 . . . . . 382 A H . 53993 4 243 . 1 . 1 87 87 ALA C C 13 177.935 0.000 . 1 . . . . . 382 A C . 53993 4 244 . 1 . 1 87 87 ALA N N 15 124.546 0.017 . 1 . . . . . 382 A N . 53993 4 245 . 1 . 1 88 88 LYS H H 1 8.315 0.007 . 1 . . . . . 383 K H . 53993 4 246 . 1 . 1 88 88 LYS C C 13 176.889 0.000 . 1 . . . . . 383 K C . 53993 4 247 . 1 . 1 88 88 LYS N N 15 120.571 0.038 . 1 . . . . . 383 K N . 53993 4 248 . 1 . 1 89 89 ALA H H 1 8.365 0.021 . 1 . . . . . 384 A H . 53993 4 249 . 1 . 1 89 89 ALA C C 13 177.902 0.000 . 1 . . . . . 384 A C . 53993 4 250 . 1 . 1 89 89 ALA N N 15 125.400 0.014 . 1 . . . . . 384 A N . 53993 4 251 . 1 . 1 90 90 LYS H H 1 8.459 0.006 . 1 . . . . . 385 K H . 53993 4 252 . 1 . 1 90 90 LYS C C 13 176.984 0.000 . 1 . . . . . 385 K C . 53993 4 253 . 1 . 1 90 90 LYS N N 15 121.302 0.023 . 1 . . . . . 385 K N . 53993 4 254 . 1 . 1 91 91 THR H H 1 8.276 0.005 . 1 . . . . . 386 T H . 53993 4 255 . 1 . 1 91 91 THR C C 13 174.200 0.000 . 1 . . . . . 386 T C . 53993 4 256 . 1 . 1 91 91 THR N N 15 115.102 0.015 . 1 . . . . . 386 T N . 53993 4 257 . 1 . 1 92 92 ASP H H 1 8.429 0.008 . 1 . . . . . 387 D H . 53993 4 258 . 1 . 1 92 92 ASP C C 13 176.884 0.000 . 1 . . . . . 387 D C . 53993 4 259 . 1 . 1 92 92 ASP N N 15 122.770 0.004 . 1 . . . . . 387 D N . 53993 4 260 . 1 . 1 93 93 HIS H H 1 8.600 0.001 . 1 . . . . . 388 H H . 53993 4 261 . 1 . 1 93 93 HIS C C 13 175.885 0.000 . 1 . . . . . 388 H C . 53993 4 262 . 1 . 1 93 93 HIS N N 15 119.531 0.007 . 1 . . . . . 388 H N . 53993 4 263 . 1 . 1 94 94 GLY H H 1 8.530 0.003 . 1 . . . . . 389 G H . 53993 4 264 . 1 . 1 94 94 GLY C C 13 173.962 0.000 . 1 . . . . . 389 G C . 53993 4 265 . 1 . 1 94 94 GLY N N 15 110.338 0.008 . 1 . . . . . 389 G N . 53993 4 266 . 1 . 1 95 95 ALA H H 1 8.282 0.001 . 1 . . . . . 390 A H . 53993 4 267 . 1 . 1 95 95 ALA C C 13 176.992 0.000 . 1 . . . . . 390 A C . 53993 4 268 . 1 . 1 95 95 ALA N N 15 124.891 0.092 . 1 . . . . . 390 A N . 53993 4 269 . 1 . 1 96 96 GLU H H 1 8.124 0.005 . 1 . . . . . 391 E H . 53993 4 270 . 1 . 1 96 96 GLU N N 15 125.550 0.005 . 1 . . . . . 391 E N . 53993 4 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID 53993 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name spectral_peak_list_clean _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 2 _Spectral_peak_list.Experiment_name '3D HNCO' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; Assignment w1 w2 w3 Volume Data Height I297C-K298N-H 176.507 126.665 8.571 1.58e+12 ga 82316623872 K298C-H299N-H 176.680 123.161 8.564 2.58e+12 ga 133543821312 H299C-V300N-H 175.660 124.557 8.280 1.60e+13 ga 545821917184 P301C-G302N-H 178.546 110.675 8.779 1.99e+13 ga 289858912256 G302C-G303N-H 175.785 108.730 8.445 1.32e+13 ga 854811475968 G303C-G304N-H 175.838 108.838 8.481 4.38e+13 ga 1173501771776 G304C-S305N-H 174.969 115.653 8.362 2.43e+13 ga 921964707840 S305C-V306N-H 175.370 122.099 8.323 2.71e+13 ga 1041634689024 V306C-Q307N-H 176.806 125.152 8.587 1.50e+13 ga 517745672192 Q307C-I308N-H 176.456 124.211 8.375 2.34e+12 ga 11621898240 I308C-V309N-H 175.864 125.128 8.302 1.23e+13 ga 577008173056 V309C-Y310N-H 176.309 126.617 8.616 8.93e+12 ga 247883366400 Y310C-K311N-H 176.594 126.259 8.359 3.47e+12 ga 137219997696 P312C-V313N-H 177.662 120.845 8.293 1.03e+12 ga 25845946368 V313C-D314N-H 176.471 124.618 8.532 6.81e+12 ga 244088487936 D314C-L315N-H 177.558 125.737 8.711 1.33e+13 ga 350130733056 L315C-S316N-H 178.959 116.181 8.524 1.42e+12 ga 49278504960 S316C-K317N-H 175.864 121.970 8.040 3.54e+12 ga 108373295104 K317C-V318N-H 177.526 121.011 8.006 4.35e+12 ga 112796557312 V318C-T319N-H 177.442 117.924 8.378 1.50e+12 ga 33656907776 T319C-S320N-H 176.754 118.569 8.382 3.05e+13 ga 1428025769984 S320C-K321N-H 175.521 123.449 8.578 1.40e+12 ga 29013946368 K321C-C322N-H 176.925 120.040 8.453 1.37e+13 ga 512814710784 C322C-G323N-H 176.190 110.982 8.603 2.92e+12 ga 56736292864 G323C-S324N-H 177.429 116.017 8.381 2.24e+13 ga 915110297600 S324C-L325N-H 177.000 123.916 8.516 2.52e+13 ga 1206362963968 L325C-G326N-H 178.829 108.778 8.431 1.50e+12 ga 46155603968 G326C-N327N-H 177.307 118.733 8.371 5.57e+12 ga 250701135872 N327C-I328N-H 176.242 120.617 8.129 1.45e+13 ga 512621019136 I328C-H329N-H 176.727 123.080 8.417 8.50e+11 ga 43049205760 H329C-H330N-H 177.707 120.944 8.337 1.02e+13 ga 362080698368 H330C-K331N-H 176.414 124.684 8.442 1.66e+13 ga 671504924672 P332C-G333N-H 178.548 110.660 8.780 1.97e+13 ga 355435741184 G333C-G334N-H 175.703 108.850 8.484 1.08e+14 ga 575978536960 G334C-G335N-H 175.683 108.821 8.485 1.05e+14 ga 975074230272 G335C-Q336N-H 174.859 119.896 8.389 2.99e+13 ga 1387910135808 Q336C-V337N-H 176.842 122.129 8.367 2.67e+13 ga 1427695206400 V337C-E338N-H 176.835 125.861 8.649 1.55e+13 ga 711623770112 E338C-V339N-H 177.356 123.520 8.439 7.62e+12 ga 326693355520 V339C-K340N-H 176.987 126.679 8.655 3.63e+12 ga 179627327488 K340C-S341N-H 177.321 117.929 8.536 5.37e+12 ga 244076642304 S341C-E342N-H 175.404 123.589 8.664 2.08e+13 ga 976223469568 E342C-K343N-H 177.169 122.498 8.462 7.19e+12 ga 334179205120 K343C-L344N-H 177.339 123.739 8.378 1.54e+13 ga 192572063744 L344C-D345N-H 177.703 121.332 8.442 3.75e+12 ga 156928098304 D345C-F346N-H 176.946 121.352 8.330 2.85e+13 ga 1172520828928 F346C-K347N-H 176.162 122.043 8.329 6.66e+11 ga 13369939968 K347C-D348N-H 177.159 120.152 8.252 7.57e+12 ga 311190716416 D348C-R349N-H 176.996 120.972 8.130 1.09e+13 ga 460661555200 R349C-V350N-H 175.805 121.617 8.238 1.97e+12 ga 65053532160 V350C-Q351N-H 177.297 124.657 8.639 1.20e+13 ga 524480413696 Q351C-S352N-H 176.915 117.801 8.495 1.84e+13 ga 874228350976 S352C-K353N-H 175.349 123.559 8.521 6.66e+12 ga 261521489920 K353C-I354N-H 177.315 121.972 8.307 6.33e+12 ga 336086630400 I354C-G355N-H 177.783 113.722 8.672 4.63e+12 ga 206409465856 G355C-S356N-H 175.005 115.574 8.277 2.41e+13 ga 1232244703232 S356C-L357N-H 175.838 124.051 8.550 2.43e+13 ga 1295305146368 L357C-D358N-H 178.143 120.208 8.291 5.53e+12 ga 284385673216 D358C-N359N-H 174.585 118.639 8.355 1.02e+13 ga 346060095488 N359C-I360N-H 175.973 120.897 8.170 2.83e+13 ga 1422727053312 I360C-T361N-H 177.353 118.165 8.368 6.03e+12 ga 166330892288 T361C-H362N-H 174.903 123.401 8.469 8.17e+12 ga 334748811264 H362C-V363N-H 174.546 124.211 8.267 3.20e+13 ga 2053633212416 P364C-G365N-H 178.551 110.324 8.754 7.48e+12 ga 267369152512 G365C-G366N-H 175.552 108.900 8.516 1.47e+12 ga 67578200064 G366C-G367N-H 175.374 108.781 8.488 1.95e+12 ga 50757378048 G367C-N368N-H 174.790 118.509 8.466 1.76e+13 ga 826880491520 N368C-K369N-H 176.145 121.993 8.421 7.53e+12 ga 350847696896 K369C-K370N-H 177.328 123.497 8.480 2.73e+12 ga 120778973184 K370C-I371N-H 175.884 123.362 8.339 1.13e+12 ga 43251662848 I371C-E372N-H 177.141 126.159 8.688 5.03e+12 ga 251439464448 E372C-T373N-H 176.544 115.647 8.334 6.04e+11 ga 26675146752 T373C-H374N-H 175.355 121.975 8.473 5.61e+12 ga 182416310272 H374C-K375N-H 177.558 122.604 8.300 7.64e+12 ga 465228070912 K375C-L376N-H 177.630 123.395 8.428 2.32e+11 ga 8553280000 L376C-T377N-H 178.369 114.838 8.187 3.60e+12 ga 153875054592 T377C-F378N-H 174.998 122.894 8.413 2.09e+13 ga 962538242048 F378C-R379N-H 176.464 123.278 8.278 2.08e+12 ga 74895654912 R379C-E380N-H 176.842 122.219 8.489 6.71e+12 ga 376514052096 E380C-N381N-H 177.324 119.838 8.606 2.16e+13 ga 1053573513216 N381C-A382N-H 176.017 124.379 8.345 1.65e+13 ga 940040060928 A382C-K383N-H 178.735 120.409 8.310 7.47e+12 ga 432226041856 K383C-A384N-H 177.359 125.230 8.346 6.50e+12 ga 372278296576 A384C-K385N-H 178.726 121.104 8.468 7.87e+12 ga 409292275712 K385C-T386N-H 177.798 114.906 8.270 8.55e+12 ga 525403127808 T386C-D387N-H 175.032 122.581 8.422 3.44e+13 ga 1841348870144 D387C-H388N-H 177.664 119.330 8.591 1.02e+12 ga 13745436672 H388C-G389N-H 176.689 110.202 8.529 1.25e+13 ga 480069681152 G389C-A390N-H 174.772 124.804 8.268 3.88e+11 ga 7618759168 A390C-E391N-H 177.807 125.407 8.137 4.25e+13 ga 3168932986880 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . C 13 C . 'not observed' 20.2349 ppm . . . . . . 53993 1 2 . . N 15 N . 'not observed' 20.7660 ppm . . . . . . 53993 1 3 . . H 1 H . 'not observed' 8.3678 ppm . . . . . . 53993 1 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 1 $software_1 . . 53993 1 2 $software_2 . . 53993 1 3 $software_3 . . 53993 1 4 $software_4 . . 53993 1 stop_ save_ save_spectral_peak_list_2 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_2 _Spectral_peak_list.Entry_ID 53993 _Spectral_peak_list.ID 2 _Spectral_peak_list.Name spectral_peak_list_1to1 _Spectral_peak_list.Sample_ID 2 _Spectral_peak_list.Sample_label $sample_2 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 4 _Spectral_peak_list.Experiment_name '3D HNCO' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; Assignment w1 w2 w3 Volume Data Height I297C-K298N-H 175.645 126.846 8.582 6.96e+11 ga 38753165312 K298C-H299N-H 175.874 123.241 8.591 1.11e+12 ga 35212623872 H299C-V300N-H 174.753 124.638 8.302 4.50e+12 ga 108944539648 P301C-G302N-H 177.730 110.839 8.785 1.03e+13 ga 162874097664 G302C-G303N-H 174.973 108.907 8.452 1.25e+13 ga 417396686848 G303C-G304N-H 175.029 108.995 8.487 2.21e+13 ga 513882783744 G304C-S305N-H 174.158 115.835 8.370 1.25e+13 ga 531307528192 S305C-V306N-H 174.559 122.275 8.329 1.18e+13 ga 483290742784 V306C-Q307N-H 175.995 125.327 8.593 6.66e+12 ga 216138743808 Q307C-I308N-H 175.633 124.389 8.387 7.16e+11 ga 7424480256 I308C-V309N-H 174.975 125.251 8.323 5.78e+12 ga 175566815232 V309C-Y310N-H 175.502 126.809 8.622 4.11e+12 ga 107782569984 Y310C-K311N-H 175.785 126.434 8.364 1.48e+12 ga 55513038848 P312C-V313N-H 176.895 121.117 8.343 4.37e+12 ga 150342270976 V313C-D314N-H 175.662 124.793 8.538 3.77e+12 ga 105918627840 D314C-L315N-H 176.742 125.901 8.715 5.84e+12 ga 151347822592 L315C-S316N-H 178.145 116.359 8.531 7.94e+11 ga 20575309824 S316C-K317N-H 175.046 122.160 8.047 1.65e+12 ga 35830087680 K317C-V318N-H 176.711 121.191 8.013 1.89e+12 ga 33651824640 V318C-T319N-H 176.626 118.101 8.386 7.68e+12 ga 11562261504 T319C-S320N-H 175.949 118.759 8.390 1.21e+13 ga 583008780288 S320C-K321N-H 174.709 123.624 8.584 9.97e+11 ga 15426682880 K321C-C322N-H 176.114 120.043 8.492 4.91e+12 ga 88646369280 C322C-G323N-H 175.382 111.160 8.611 1.59e+12 ga 23797082112 G323C-S324N-H 176.580 116.220 8.387 6.13e+12 ga 156538306560 S324C-L325N-H 176.187 124.080 8.521 1.07e+13 ga 473044975616 L325C-G326N-H 178.021 108.943 8.439 5.78e+11 ga 19207213056 G326C-N327N-H 176.497 118.843 8.375 2.11e+12 ga 90879819776 N327C-I328N-H 175.420 120.801 8.133 5.27e+12 ga 189902913536 I328C-H329N-H 175.937 123.192 8.453 7.60e+11 ga 10470594560 H329C-H330N-H 176.895 121.117 8.343 4.37e+12 ga 150342270976 H330C-K331N-H 175.606 124.860 8.448 8.20e+12 ga 278574923776 P332C-G333N-H 177.731 110.839 8.785 1.01e+13 ga 162874097664 G333C-G334N-H 174.917 109.001 8.491 5.36e+13 ga 254192992256 G334C-G335N-H 174.917 109.001 8.491 5.36e+13 ga 254192992256 G335C-Q336N-H 174.052 120.075 8.396 1.43e+13 ga 663574413312 Q336C-V337N-H 176.031 122.298 8.373 1.23e+13 ga 548012818432 V337C-E338N-H 176.024 126.032 8.655 6.95e+12 ga 301036929024 E338C-V339N-H 176.542 123.780 8.458 1.40e+12 ga 28793753600 V339C-K340N-H 176.175 126.843 8.661 1.60e+12 ga 73279242240 K340C-S341N-H 176.510 118.099 8.541 2.37e+12 ga 108317057024 S341C-E342N-H 174.594 123.758 8.670 1.00e+13 ga 390452346880 E342C-K343N-H 176.356 122.665 8.466 3.42e+12 ga 141474496512 K343C-L344N-H 176.526 123.954 8.385 4.93e+12 ga 59561361408 L344C-D345N-H 176.893 121.501 8.449 1.43e+12 ga 55801864192 D345C-F346N-H 176.133 121.516 8.334 9.38e+12 ga 387418161152 F346C-K347N-H 175.369 122.248 8.334 3.65e+11 ga 6972590592 K347C-D348N-H 176.345 120.325 8.257 2.94e+12 ga 108839419904 D348C-R349N-H 176.179 121.150 8.136 3.85e+12 ga 162215428096 R349C-V350N-H 174.914 121.695 8.276 1.02e+12 ga 18079322112 V350C-Q351N-H 176.485 124.831 8.645 4.95e+12 ga 195254288384 Q351C-S352N-H 176.103 117.972 8.500 8.59e+12 ga 363290853376 S352C-K353N-H 174.538 123.736 8.527 2.84e+12 ga 103489978368 K353C-I354N-H 176.503 122.154 8.312 2.91e+12 ga 105520160768 I354C-G355N-H 176.971 113.896 8.678 1.93e+12 ga 74282401792 G355C-S356N-H 174.195 115.752 8.284 1.04e+13 ga 487706394624 S356C-L357N-H 175.027 124.233 8.557 1.02e+13 ga 493232390144 L357C-D358N-H 177.334 120.394 8.299 1.98e+12 ga 99209027584 D358C-N359N-H 173.778 118.815 8.362 4.83e+12 ga 147393413120 N359C-I360N-H 175.168 121.047 8.172 1.07e+13 ga 468268154880 I360C-T361N-H 176.543 118.349 8.375 3.37e+12 ga 66939351040 T361C-H362N-H 174.106 123.399 8.493 3.86e+12 ga 80690782208 H362C-V363N-H 173.732 124.416 8.292 1.19e+13 ga 545305198592 P364C-G365N-H 177.733 110.509 8.761 4.17e+12 ga 118490791936 G365C-G366N-H 174.737 109.072 8.522 1.55e+12 ga 39834193920 G366C-G367N-H 174.562 108.968 8.496 1.14e+12 ga 25459187712 G367C-N368N-H 173.975 118.689 8.473 9.10e+12 ga 399293317120 N368C-K369N-H 175.325 122.177 8.428 2.98e+12 ga 101569413120 K369C-K370N-H 176.508 123.686 8.487 1.39e+12 ga 29254670336 K370C-I371N-H 175.081 123.540 8.347 4.13e+11 ga 14324990976 I371C-E372N-H 176.310 126.377 8.691 1.48e+12 ga 50326298624 E372C-T373N-H 175.733 115.822 8.342 5.00e+11 ga 11425126400 T373C-H374N-H 174.510 122.039 8.508 2.51e+12 ga 29411028992 H374C-K375N-H 176.748 122.774 8.305 2.95e+12 ga 157362159616 K375C-L376N-H 176.771 123.540 8.432 1860651520 L376C-T377N-H 177.551 115.038 8.200 6.12e+11 ga 17076708352 T377C-F378N-H 174.186 123.077 8.423 3.11e+12 ga 128669728768 F378C-R379N-H 175.669 123.436 8.284 3.35e+11 ga 10536550400 R379C-E380N-H 176.043 122.387 8.491 1.16e+12 ga 46055149568 E380C-N381N-H 176.520 120.015 8.613 3.83e+12 ga 141062012928 N381C-A382N-H 175.213 124.548 8.351 3.40e+12 ga 133657305088 A382C-K383N-H 177.936 120.566 8.314 1.48e+12 ga 63163088896 K383C-A384N-H 176.554 125.366 8.347 1.04e+12 ga 45629353984 A384C-K385N-H 177.928 121.254 8.471 1.42e+12 ga 68392198144 K385C-T386N-H 176.995 115.036 8.270 1.75e+12 ga 69516263424 T386C-D387N-H 174.223 122.752 8.426 9.97e+12 ga 345167265792 D387C-H388N-H 176.881 119.502 8.595 4.82e+11 ga 5084881920 H388C-G389N-H 175.724 110.348 8.546 5.06e+12 ga 69933867008 G389C-A390N-H 173.961 124.994 8.282 1.61e+11 ga 2493363200 A390C-E391N-H 177.001 125.582 8.140 1.45e+13 ga 702092935168 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . C 13 C . 'not observed' 20.2349 ppm . . . . . . 53993 2 2 . . N 15 N . 'not observed' 20.7660 ppm . . . . . . 53993 2 3 . . H 1 H . 'not observed' 8.3678 ppm . . . . . . 53993 2 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 1 $software_1 . . 53993 2 2 $software_2 . . 53993 2 3 $software_3 . . 53993 2 4 $software_4 . . 53993 2 stop_ save_ save_spectral_peak_list_3 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_3 _Spectral_peak_list.Entry_ID 53993 _Spectral_peak_list.ID 3 _Spectral_peak_list.Name spectral_peak_list_2to1 _Spectral_peak_list.Sample_ID 3 _Spectral_peak_list.Sample_label $sample_3 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 6 _Spectral_peak_list.Experiment_name '3D HNCO' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; Assignment w1 w2 w3 Volume Data Height I297C-K298N-H 175.681 126.834 8.578 4.50e+11 ga 24053626880 K298C-H299N-H 175.867 123.310 8.574 6.69e+11 ga 32940613632 H299C-V300N-H 174.825 124.719 8.291 2.66e+12 ga 95231213568 P301C-G302N-H 177.728 110.834 8.785 5.93e+12 ga 87580409856 G302C-G303N-H 174.973 108.907 8.451 3.58e+12 ga 238221754368 G303C-G304N-H 175.028 109.001 8.487 1.38e+13 ga 305272061952 G304C-S305N-H 174.156 115.830 8.369 7.32e+12 ga 303846424576 S305C-V306N-H 174.559 122.269 8.328 7.98e+12 ga 284578807808 V306C-Q307N-H 175.993 125.319 8.593 4.34e+12 ga 131964207104 Q307C-I308N-H 175.693 124.389 8.366 1.02e+11 ga 2441620480 I308C-V309N-H 175.032 125.281 8.311 3.48e+12 ga 134632759296 V309C-Y310N-H 175.498 126.794 8.621 2.66e+12 ga 61306609664 Y310C-K311N-H 175.783 126.424 8.363 1.02e+12 ga 38713184256 P312C-V313N-H 176.894 121.112 8.342 2.87e+12 ga 97526128640 V313C-D314N-H 175.659 124.788 8.537 2.33e+12 ga 65494999040 D314C-L315N-H 176.743 125.896 8.714 3.73e+12 ga 90946420736 L315C-S316N-H 178.145 116.355 8.528 4.71e+11 ga 13160400896 S316C-K317N-H 175.048 122.145 8.046 9.74e+11 ga 25358880768 K317C-V318N-H 176.712 121.171 8.011 1.15e+12 ga 24443598848 V318C-T319N-H 176.627 118.102 8.385 6.54e+12 ga 7435335168 T319C-S320N-H 175.944 118.745 8.390 8.19e+12 ga 360682160128 S320C-K321N-H 174.710 123.624 8.583 4.75e+11 ga 7646023680 K321C-C322N-H 176.113 120.187 8.467 2.33e+12 ga 60294381568 C322C-G323N-H 175.378 111.154 8.607 7.10e+11 ga 9644498944 G323C-S324N-H 176.604 116.190 8.385 2.05e+12 ga 44469436416 S324C-L325N-H 176.186 124.078 8.520 6.84e+12 ga 296094859264 L325C-G326N-H 178.014 108.958 8.439 3.39e+11 ga 9214694400 G326C-N327N-H 176.495 118.900 8.377 1.35e+12 ga 53795594240 N327C-I328N-H 175.429 120.790 8.134 3.47e+12 ga 104205205504 I328C-H329N-H 175.912 123.228 8.427 3.80e+11 ga 7639119872 H329C-H330N-H 176.894 121.112 8.342 2.87e+12 ga 97526128640 H330C-K331N-H 175.605 124.851 8.447 5.54e+12 ga 173282689024 P332C-G333N-H 177.730 110.835 8.785 6.04e+12 ga 87580409856 G333C-G334N-H 174.895 109.007 8.491 3.32e+13 ga 145277648896 G334C-G335N-H 174.895 109.007 8.491 3.32e+13 ga 145277648896 G335C-Q336N-H 174.048 120.072 8.395 8.97e+12 ga 402394120192 Q336C-V337N-H 176.030 122.295 8.372 8.15e+12 ga 349041131520 V337C-E338N-H 176.022 126.027 8.655 4.37e+12 ga 184120410112 E338C-V339N-H 176.548 123.695 8.447 4.54e+11 ga 9396815872 V339C-K340N-H 176.172 126.842 8.661 9.85e+11 ga 42391609344 K340C-S341N-H 176.508 118.100 8.542 1.50e+12 ga 62940962816 S341C-E342N-H 174.593 123.757 8.670 6.05e+12 ga 212283408384 E342C-K343N-H 176.356 122.665 8.465 2.00e+12 ga 81064460288 K343C-L344N-H 176.533 123.982 8.385 2.13e+12 ga 57957711872 L344C-D345N-H 176.892 121.503 8.448 8.92e+11 ga 31263047680 D345C-F346N-H 176.134 121.513 8.334 5.80e+12 ga 209322147840 F346C-K347N-H 175.351 122.210 8.337 2.50e+11 ga 3212357632 K347C-D348N-H 176.346 120.328 8.257 1.82e+12 ga 63826649088 D348C-R349N-H 176.183 121.146 8.137 2.33e+12 ga 94554996736 R349C-V350N-H 174.978 121.768 8.249 6.16e+11 ga 11597045760 V350C-Q351N-H 176.486 124.821 8.645 3.04e+12 ga 118386098176 Q351C-S352N-H 176.104 117.967 8.500 5.27e+12 ga 199788609536 S352C-K353N-H 174.536 123.733 8.527 1.55e+12 ga 56757874688 K353C-I354N-H 176.506 122.138 8.312 1.88e+12 ga 75269685248 I354C-G355N-H 176.970 113.895 8.679 1.22e+12 ga 47390212096 G355C-S356N-H 174.194 115.751 8.284 6.90e+12 ga 305627070464 S356C-L357N-H 175.025 124.230 8.557 7.13e+12 ga 331334057984 L357C-D358N-H 177.330 120.385 8.299 1.40e+12 ga 61329489920 D358C-N359N-H 173.774 118.813 8.361 2.84e+12 ga 76449890304 N359C-I360N-H 175.161 121.070 8.177 7.21e+12 ga 316836282368 I360C-T361N-H 176.538 118.323 8.372 1.63e+12 ga 40262180864 T361C-H362N-H 174.096 123.533 8.481 2.08e+12 ga 63538974720 H362C-V363N-H 173.737 124.398 8.279 6.86e+12 ga 297556574208 P364C-G365N-H 177.737 110.504 8.761 2.18e+12 ga 65847635968 G365C-G366N-H 174.737 109.075 8.522 8.26e+11 ga 20842571776 G366C-G367N-H 174.563 108.968 8.493 5.80e+11 ga 12417357824 G367C-N368N-H 173.971 118.688 8.473 4.81e+12 ga 172013174784 N368C-K369N-H 175.319 122.180 8.429 1.53e+12 ga 41415819264 K369C-K370N-H 176.461 123.779 8.510 2.36e+11 ga 3372760576 K370C-I371N-H 175.076 123.550 8.348 3.68e+11 ga 13193177088 I371C-E372N-H 176.317 126.334 8.692 7.83e+11 ga 15892070400 E372C-T373N-H 175.737 115.836 8.342 2.17e+11 ga 6590258688 T373C-H374N-H 174.518 122.124 8.485 7.70e+11 ga 8145459200 H374C-K375N-H 176.745 122.772 8.306 2.11e+12 ga 101651382272 K375C-L376N-H 177.036 123.518 8.440 916383872 L376C-T377N-H 177.551 115.023 8.192 5.04e+11 ga 5625385984 T377C-F378N-H 174.187 123.063 8.419 8.46e+12 ga 30713542656 F378C-R379N-H 175.649 123.414 8.280 1833255552 R379C-E380N-H 176.038 122.393 8.497 4.43e+11 ga 10137618432 E380C-N381N-H 176.513 120.004 8.611 1.24e+12 ga 33873932288 N381C-A382N-H 175.203 124.548 8.349 1.16e+12 ga 33988278272 A382C-K383N-H 177.926 120.570 8.315 5.74e+11 ga 17718235136 K383C-A384N-H 176.553 125.388 8.349 4.20e+11 ga 14435721216 A384C-K385N-H 177.915 121.270 8.471 6.82e+11 ga 19911393280 K385C-T386N-H 176.984 115.064 8.275 6.70e+11 ga 25036406784 T386C-D387N-H 174.215 122.755 8.427 4.28e+12 ga 134866419712 D387C-H388N-H 176.860 119.509 8.603 1.93e+11 ga 2451662336 H388C-G389N-H 175.839 110.362 8.538 2.36e+12 ga 53311045632 G389C-A390N-H 173.983 125.013 8.338 8.93e+10 ga 2528079104 A390C-E391N-H 176.996 125.571 8.138 9.88e+12 ga 345660522496 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . C 13 C . 'not observed' 20.2349 ppm . . . . . . 53993 3 2 . . N 15 N . 'not observed' 20.7660 ppm . . . . . . 53993 3 3 . . H 1 H . 'not observed' 8.3678 ppm . . . . . . 53993 3 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 1 $software_1 . . 53993 3 2 $software_2 . . 53993 3 3 $software_3 . . 53993 3 4 $software_4 . . 53993 3 stop_ save_ save_spectral_peak_list_4 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_4 _Spectral_peak_list.Entry_ID 53993 _Spectral_peak_list.ID 4 _Spectral_peak_list.Name spectral_peak_list_4to1 _Spectral_peak_list.Sample_ID 4 _Spectral_peak_list.Sample_label $sample_4 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 8 _Spectral_peak_list.Experiment_name '3D HNCO' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; Assignment w1 w2 w3 Volume Data Height I297C-K298N-H 175.701 126.833 8.575 2.62e+11 ga 11668002816 K298C-H299N-H 175.864 123.336 8.566 3.54e+11 ga 15478767616 H299C-V300N-H 174.858 124.763 8.287 1.25e+12 ga 42557300736 P301C-G302N-H 177.727 110.833 8.785 3.06e+12 ga 39571914752 G302C-G303N-H 174.972 108.907 8.450 1.50e+12 ga 101787582464 G303C-G304N-H 175.028 109.000 8.488 6.97e+12 ga 145859870720 G304C-S305N-H 174.154 115.827 8.369 3.84e+12 ga 145515118592 S305C-V306N-H 174.558 122.266 8.328 4.42e+12 ga 147867762688 V306C-Q307N-H 175.991 125.316 8.592 2.33e+12 ga 63361818624 Q307C-I308N-H 175.617 124.430 8.390 2.12e+11 ga 2942568192 I308C-V309N-H 175.059 125.295 8.305 1.83e+12 ga 72816590848 V309C-Y310N-H 175.495 126.788 8.621 1.43e+12 ga 28444315648 Y310C-K311N-H 175.783 126.418 8.364 4.90e+11 ga 18536833024 P312C-V313N-H 176.894 121.111 8.343 1.51e+12 ga 46540099584 V313C-D314N-H 175.657 124.785 8.536 1.17e+12 ga 28631347200 D314C-L315N-H 176.742 125.892 8.713 1.82e+12 ga 36927070208 L315C-S316N-H 178.143 116.348 8.530 4.00e+11 ga 7239755776 S316C-K317N-H 175.047 122.143 8.045 7.67e+11 ga 10236860416 K317C-V318N-H 176.709 121.165 8.010 6.33e+11 ga 11074848768 V318C-T319N-H 176.663 118.099 8.383 2.05e+11 ga 2929665536 T319C-S320N-H 175.939 118.737 8.390 4.27e+12 ga 165316231168 S320C-K321N-H 174.714 123.596 8.583 1.19e+11 ga 3293330944 K321C-C322N-H 176.107 120.287 8.454 9.29e+11 ga 16315581440 C322C-G323N-H 175.360 111.145 8.603 2.46e+11 ga 4221370112 G323C-S324N-H 176.629 116.202 8.389 2.00e+11 ga 2742067456 S324C-L325N-H 176.183 124.075 8.520 3.20e+12 ga 124186181632 L325C-G326N-H 178.010 109.037 8.438 2.16e+12 ga 690053568 G326C-N327N-H 176.497 118.935 8.381 6.22e+11 ga 24436801536 N327C-I328N-H 175.432 120.784 8.135 1.60e+12 ga 36207632384 I328C-H329N-H 175.901 123.259 8.427 1.81e+11 ga 2380609792 H329C-H330N-H 176.894 121.111 8.343 1.51e+12 ga 46540099584 H330C-K331N-H 175.602 124.849 8.447 2.84e+12 ga 81323065344 P332C-G333N-H 177.727 110.833 8.785 3.06e+12 ga 39571914752 G333C-G334N-H 174.879 109.006 8.488 1.87e+13 ga 73128124416 G334C-G335N-H 174.879 109.006 8.488 1.87e+13 ga 73128124416 G335C-Q336N-H 174.045 120.069 8.395 4.51e+12 ga 187455897600 Q336C-V337N-H 176.029 122.294 8.372 4.01e+12 ga 159955091456 V337C-E338N-H 176.020 126.025 8.654 2.19e+12 ga 83654131712 E338C-V339N-H 176.537 123.690 8.429 1733901056 V339C-K340N-H 176.173 126.842 8.660 5.49e+11 ga 17076390912 K340C-S341N-H 176.506 118.099 8.541 6.28e+11 ga 23167862784 S341C-E342N-H 174.591 123.755 8.670 2.67e+12 ga 83160301568 E342C-K343N-H 176.357 122.662 8.464 9.15e+11 ga 32252874752 K343C-L344N-H 176.533 123.987 8.385 8.08e+11 ga 19029487616 L344C-D345N-H 176.887 121.497 8.448 4.59e+11 ga 14479456256 D345C-F346N-H 176.133 121.508 8.333 2.40e+12 ga 64989679616 F346C-K347N-H 175.409 122.249 8.333 1.12e+11 ga 2554606336 K347C-D348N-H 176.345 120.328 8.256 8.38e+11 ga 24032315392 D348C-R349N-H 176.185 121.149 8.136 1.14e+12 ga 37807308800 R349C-V350N-H 175.011 121.810 8.242 4.33e+11 ga 4166380544 V350C-Q351N-H 176.486 124.815 8.644 1.30e+12 ga 47076499456 Q351C-S352N-H 176.103 117.965 8.501 2.31e+12 ga 79958720512 S352C-K353N-H 174.535 123.732 8.527 7.57e+11 ga 22838304768 K353C-I354N-H 176.504 122.135 8.311 9.99e+11 ga 28778749952 I354C-G355N-H 176.967 113.900 8.680 5.67e+11 ga 21755863040 G355C-S356N-H 174.193 115.753 8.285 3.47e+12 ga 140941066240 S356C-L357N-H 175.025 124.230 8.558 3.66e+12 ga 158167859200 L357C-D358N-H 177.328 120.380 8.299 6.96e+11 ga 26956460032 D358C-N359N-H 173.772 118.810 8.359 1.11e+12 ga 26588540928 N359C-I360N-H 175.156 121.088 8.180 3.88e+12 ga 151612653568 I360C-T361N-H 176.535 118.320 8.371 7.80e+11 ga 16869563392 T361C-H362N-H 174.093 123.610 8.476 1.01e+12 ga 31232694272 H362C-V363N-H 173.743 124.389 8.273 3.07e+12 ga 125902585856 P364C-G365N-H 177.738 110.500 8.760 9.51e+11 ga 24019890176 G365C-G366N-H 174.736 109.072 8.522 3.67e+11 ga 8859066368 G366C-G367N-H 174.557 108.967 8.492 2.35e+11 ga 4678822912 G367C-N368N-H 173.961 118.688 8.475 2.23e+12 ga 63594491904 N368C-K369N-H 175.295 122.215 8.434 8.24e+11 ga 9905050624 K369C-K370N-H 176.391 123.587 8.473 7.37e+10 ga 2142360576 K370C-I371N-H 175.071 123.553 8.352 2.86e+11 ga 5947571712 I371C-E372N-H 176.327 126.315 8.691 1653358336 E372C-T373N-H 175.733 115.828 8.341 1.63e+11 ga 2533367296 T373C-H374N-H 174.531 122.197 8.489 -1698916352 H374C-K375N-H 176.743 122.777 8.307 1.09e+12 ga 44565553152 K375C-L376N-H 176.961 123.857 8.426 -548071040 L376C-T377N-H 177.371 115.009 8.221 1.38e+11 ga 2635921664 T377C-F378N-H 174.228 123.002 8.422 1.12e+11 ga 2413981184 F378C-R379N-H 175.685 123.385 8.295 3.30e+10 ga 2040425472 R379C-E380N-H 176.038 122.425 8.493 7.59e+10 ga 2486129664 E380C-N381N-H 176.467 120.089 8.611 1.97e+11 ga 2969038336 N381C-A382N-H 175.208 124.563 8.355 5.04e+10 ga 2338332672 A382C-K383N-H 177.935 120.533 8.322 5.88e+10 ga 2094643328 K383C-A384N-H 176.889 125.386 8.386 6.51e+10 ga 3012897792 A384C-K385N-H 177.902 121.325 8.453 5.51e+10 ga 2791700224 K385C-T386N-H 176.984 115.087 8.281 1843704064 T386C-D387N-H 174.200 122.766 8.437 1.48e+12 ga 15382565888 D387C-H388N-H 176.884 119.538 8.601 1.49e+11 ga 2999855616 H388C-G389N-H 175.885 110.329 8.533 1.36e+12 ga 10630203392 G389C-A390N-H 173.962 124.983 8.283 1289219840 A390C-E391N-H 176.992 125.545 8.129 5.18e+12 ga 158138761216 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . C 13 C . 'not observed' 20.2349 ppm . . . . . . 53993 4 2 . . N 15 N . 'not observed' 20.7660 ppm . . . . . . 53993 4 3 . . H 1 H . 'not observed' 8.3678 ppm . . . . . . 53993 4 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 1 $software_1 . . 53993 4 2 $software_2 . . 53993 4 3 $software_3 . . 53993 4 4 $software_4 . . 53993 4 stop_ save_