data_25748 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25748 _Entry.Title ; ddFLN5+110 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-08-10 _Entry.Accession_date 2015-08-10 _Entry.Last_release_date 2016-02-29 _Entry.Original_release_date 2016-02-29 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details 'Structural ensemble of ddFLN5+110 RNC: 3 representative ground state structures' _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 Lisa Cabrita . D. . . 25748 2 Anais Cassaignau . ME . . 25748 3 Helene Launay . MM . . 25748 4 Christopher Waudby . A. . . 25748 5 Carlo Camilloni . . . . 25748 6 Amy Robertson . L. . . 25748 7 Xiaolin Wang . . . . 25748 8 Tomasz Wlodarski . . . . 25748 9 Anne Wentink . S. . . 25748 10 Michele Vendruscolo . . . . 25748 11 Christopher Dobson . M. . . 25748 12 John Christodoulou . . . . 25748 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25748 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID protein . 25748 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25748 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 271 25748 '15N chemical shifts' 122 25748 '1H chemical shifts' 204 25748 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 . . 2016-08-05 2015-08-10 update BMRB 'update entry citation' 25748 1 . . 2016-02-29 2015-08-10 original author 'original release' 25748 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2N62 'BMRB Entry Tracking System' 25748 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 25748 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27466710 _Citation.Full_citation . _Citation.Title ; A strategy for co-translational folding studies of ribosome-bound nascent chain complexes using NMR spectroscopy ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Protoc.' _Citation.Journal_name_full . _Citation.Journal_volume 11 _Citation.Journal_issue 8 _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 1492 _Citation.Page_last 1507 _Citation.Year 2016 _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 Anais Cassaignau . ME . . 25748 1 2 Helene Launay . MM . . 25748 1 3 Maria-Evangelia Karyadi . . . . 25748 1 4 Xiaolin Wang . . . . 25748 1 5 Christopher Waudby . A. . . 25748 1 6 Annika Deckert . . . . 25748 1 7 Amy Robertson . L. . . 25748 1 8 John Christodoulou . . . . 25748 1 9 Lisa Cabrita . D. . . 25748 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25748 _Assembly.ID 1 _Assembly.Name ddFLN5+110 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity 1 $entity A . yes native no no . . . 25748 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25748 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID L _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; HHHHHHASKPAPSAEHSYAE GEGLVKVFDNAPAEFTIFAV DTKGVARTDGGDPFEVAING PDGLVVDAKVTDNNDGTYGV VYDAPVEGNYNVNVTLRGNP IKNMPIDVKCIEGANGEDSS FGSFTFTVAAKNKKGEVKTY GGDKFEVSITGPAEEITLDA IDNQDGTYTAAYSLVGNGRF STGVKLNGKHIEGSPFKQVL GNELFSTPVWISQAQGIRAG P ; _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 221 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 23420.918 _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 . HIS . 25748 1 2 . HIS . 25748 1 3 . HIS . 25748 1 4 . HIS . 25748 1 5 . HIS . 25748 1 6 . HIS . 25748 1 7 . ALA . 25748 1 8 . SER . 25748 1 9 . LYS . 25748 1 10 . PRO . 25748 1 11 . ALA . 25748 1 12 . PRO . 25748 1 13 . SER . 25748 1 14 . ALA . 25748 1 15 . GLU . 25748 1 16 . HIS . 25748 1 17 . SER . 25748 1 18 . TYR . 25748 1 19 . ALA . 25748 1 20 . GLU . 25748 1 21 . GLY . 25748 1 22 . GLU . 25748 1 23 . GLY . 25748 1 24 . LEU . 25748 1 25 . VAL . 25748 1 26 . LYS . 25748 1 27 . VAL . 25748 1 28 . PHE . 25748 1 29 . ASP . 25748 1 30 . ASN . 25748 1 31 . ALA . 25748 1 32 . PRO . 25748 1 33 . ALA . 25748 1 34 . GLU . 25748 1 35 . PHE . 25748 1 36 . THR . 25748 1 37 . ILE . 25748 1 38 . PHE . 25748 1 39 . ALA . 25748 1 40 . VAL . 25748 1 41 . ASP . 25748 1 42 . THR . 25748 1 43 . LYS . 25748 1 44 . GLY . 25748 1 45 . VAL . 25748 1 46 . ALA . 25748 1 47 . ARG . 25748 1 48 . THR . 25748 1 49 . ASP . 25748 1 50 . GLY . 25748 1 51 . GLY . 25748 1 52 . ASP . 25748 1 53 . PRO . 25748 1 54 . PHE . 25748 1 55 . GLU . 25748 1 56 . VAL . 25748 1 57 . ALA . 25748 1 58 . ILE . 25748 1 59 . ASN . 25748 1 60 . GLY . 25748 1 61 . PRO . 25748 1 62 . ASP . 25748 1 63 . GLY . 25748 1 64 . LEU . 25748 1 65 . VAL . 25748 1 66 . VAL . 25748 1 67 . ASP . 25748 1 68 . ALA . 25748 1 69 . LYS . 25748 1 70 . VAL . 25748 1 71 . THR . 25748 1 72 . ASP . 25748 1 73 . ASN . 25748 1 74 . ASN . 25748 1 75 . ASP . 25748 1 76 . GLY . 25748 1 77 . THR . 25748 1 78 . TYR . 25748 1 79 . GLY . 25748 1 80 . VAL . 25748 1 81 . VAL . 25748 1 82 . TYR . 25748 1 83 . ASP . 25748 1 84 . ALA . 25748 1 85 . PRO . 25748 1 86 . VAL . 25748 1 87 . GLU . 25748 1 88 . GLY . 25748 1 89 . ASN . 25748 1 90 . TYR . 25748 1 91 . ASN . 25748 1 92 . VAL . 25748 1 93 . ASN . 25748 1 94 . VAL . 25748 1 95 . THR . 25748 1 96 . LEU . 25748 1 97 . ARG . 25748 1 98 . GLY . 25748 1 99 . ASN . 25748 1 100 . PRO . 25748 1 101 . ILE . 25748 1 102 . LYS . 25748 1 103 . ASN . 25748 1 104 . MET . 25748 1 105 . PRO . 25748 1 106 . ILE . 25748 1 107 . ASP . 25748 1 108 . VAL . 25748 1 109 . LYS . 25748 1 110 . CYS . 25748 1 111 . ILE . 25748 1 112 . GLU . 25748 1 113 . GLY . 25748 1 114 . ALA . 25748 1 115 . ASN . 25748 1 116 . GLY . 25748 1 117 . GLU . 25748 1 118 . ASP . 25748 1 119 . SER . 25748 1 120 . SER . 25748 1 121 . PHE . 25748 1 122 . GLY . 25748 1 123 . SER . 25748 1 124 . PHE . 25748 1 125 . THR . 25748 1 126 . PHE . 25748 1 127 . THR . 25748 1 128 . VAL . 25748 1 129 . ALA . 25748 1 130 . ALA . 25748 1 131 . LYS . 25748 1 132 . ASN . 25748 1 133 . LYS . 25748 1 134 . LYS . 25748 1 135 . GLY . 25748 1 136 . GLU . 25748 1 137 . VAL . 25748 1 138 . LYS . 25748 1 139 . THR . 25748 1 140 . TYR . 25748 1 141 . GLY . 25748 1 142 . GLY . 25748 1 143 . ASP . 25748 1 144 . LYS . 25748 1 145 . PHE . 25748 1 146 . GLU . 25748 1 147 . VAL . 25748 1 148 . SER . 25748 1 149 . ILE . 25748 1 150 . THR . 25748 1 151 . GLY . 25748 1 152 . PRO . 25748 1 153 . ALA . 25748 1 154 . GLU . 25748 1 155 . GLU . 25748 1 156 . ILE . 25748 1 157 . THR . 25748 1 158 . LEU . 25748 1 159 . ASP . 25748 1 160 . ALA . 25748 1 161 . ILE . 25748 1 162 . ASP . 25748 1 163 . ASN . 25748 1 164 . GLN . 25748 1 165 . ASP . 25748 1 166 . GLY . 25748 1 167 . THR . 25748 1 168 . TYR . 25748 1 169 . THR . 25748 1 170 . ALA . 25748 1 171 . ALA . 25748 1 172 . TYR . 25748 1 173 . SER . 25748 1 174 . LEU . 25748 1 175 . VAL . 25748 1 176 . GLY . 25748 1 177 . ASN . 25748 1 178 . GLY . 25748 1 179 . ARG . 25748 1 180 . PHE . 25748 1 181 . SER . 25748 1 182 . THR . 25748 1 183 . GLY . 25748 1 184 . VAL . 25748 1 185 . LYS . 25748 1 186 . LEU . 25748 1 187 . ASN . 25748 1 188 . GLY . 25748 1 189 . LYS . 25748 1 190 . HIS . 25748 1 191 . ILE . 25748 1 192 . GLU . 25748 1 193 . GLY . 25748 1 194 . SER . 25748 1 195 . PRO . 25748 1 196 . PHE . 25748 1 197 . LYS . 25748 1 198 . GLN . 25748 1 199 . VAL . 25748 1 200 . LEU . 25748 1 201 . GLY . 25748 1 202 . ASN . 25748 1 203 . GLU . 25748 1 204 . LEU . 25748 1 205 . PHE . 25748 1 206 . SER . 25748 1 207 . THR . 25748 1 208 . PRO . 25748 1 209 . VAL . 25748 1 210 . TRP . 25748 1 211 . ILE . 25748 1 212 . SER . 25748 1 213 . GLN . 25748 1 214 . ALA . 25748 1 215 . GLN . 25748 1 216 . GLY . 25748 1 217 . ILE . 25748 1 218 . ARG . 25748 1 219 . ALA . 25748 1 220 . GLY . 25748 1 221 . PRO . 25748 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 . HIS 1 1 25748 1 . HIS 2 2 25748 1 . HIS 3 3 25748 1 . HIS 4 4 25748 1 . HIS 5 5 25748 1 . HIS 6 6 25748 1 . ALA 7 7 25748 1 . SER 8 8 25748 1 . LYS 9 9 25748 1 . PRO 10 10 25748 1 . ALA 11 11 25748 1 . PRO 12 12 25748 1 . SER 13 13 25748 1 . ALA 14 14 25748 1 . GLU 15 15 25748 1 . HIS 16 16 25748 1 . SER 17 17 25748 1 . TYR 18 18 25748 1 . ALA 19 19 25748 1 . GLU 20 20 25748 1 . GLY 21 21 25748 1 . GLU 22 22 25748 1 . GLY 23 23 25748 1 . LEU 24 24 25748 1 . VAL 25 25 25748 1 . LYS 26 26 25748 1 . VAL 27 27 25748 1 . PHE 28 28 25748 1 . ASP 29 29 25748 1 . ASN 30 30 25748 1 . ALA 31 31 25748 1 . PRO 32 32 25748 1 . ALA 33 33 25748 1 . GLU 34 34 25748 1 . PHE 35 35 25748 1 . THR 36 36 25748 1 . ILE 37 37 25748 1 . PHE 38 38 25748 1 . ALA 39 39 25748 1 . VAL 40 40 25748 1 . ASP 41 41 25748 1 . THR 42 42 25748 1 . LYS 43 43 25748 1 . GLY 44 44 25748 1 . VAL 45 45 25748 1 . ALA 46 46 25748 1 . ARG 47 47 25748 1 . THR 48 48 25748 1 . ASP 49 49 25748 1 . GLY 50 50 25748 1 . GLY 51 51 25748 1 . ASP 52 52 25748 1 . PRO 53 53 25748 1 . PHE 54 54 25748 1 . GLU 55 55 25748 1 . VAL 56 56 25748 1 . ALA 57 57 25748 1 . ILE 58 58 25748 1 . ASN 59 59 25748 1 . GLY 60 60 25748 1 . PRO 61 61 25748 1 . ASP 62 62 25748 1 . GLY 63 63 25748 1 . LEU 64 64 25748 1 . VAL 65 65 25748 1 . VAL 66 66 25748 1 . ASP 67 67 25748 1 . ALA 68 68 25748 1 . LYS 69 69 25748 1 . VAL 70 70 25748 1 . THR 71 71 25748 1 . ASP 72 72 25748 1 . ASN 73 73 25748 1 . ASN 74 74 25748 1 . ASP 75 75 25748 1 . GLY 76 76 25748 1 . THR 77 77 25748 1 . TYR 78 78 25748 1 . GLY 79 79 25748 1 . VAL 80 80 25748 1 . VAL 81 81 25748 1 . TYR 82 82 25748 1 . ASP 83 83 25748 1 . ALA 84 84 25748 1 . PRO 85 85 25748 1 . VAL 86 86 25748 1 . GLU 87 87 25748 1 . GLY 88 88 25748 1 . ASN 89 89 25748 1 . TYR 90 90 25748 1 . ASN 91 91 25748 1 . VAL 92 92 25748 1 . ASN 93 93 25748 1 . VAL 94 94 25748 1 . THR 95 95 25748 1 . LEU 96 96 25748 1 . ARG 97 97 25748 1 . GLY 98 98 25748 1 . ASN 99 99 25748 1 . PRO 100 100 25748 1 . ILE 101 101 25748 1 . LYS 102 102 25748 1 . ASN 103 103 25748 1 . MET 104 104 25748 1 . PRO 105 105 25748 1 . ILE 106 106 25748 1 . ASP 107 107 25748 1 . VAL 108 108 25748 1 . LYS 109 109 25748 1 . CYS 110 110 25748 1 . ILE 111 111 25748 1 . GLU 112 112 25748 1 . GLY 113 113 25748 1 . ALA 114 114 25748 1 . ASN 115 115 25748 1 . GLY 116 116 25748 1 . GLU 117 117 25748 1 . ASP 118 118 25748 1 . SER 119 119 25748 1 . SER 120 120 25748 1 . PHE 121 121 25748 1 . GLY 122 122 25748 1 . SER 123 123 25748 1 . PHE 124 124 25748 1 . THR 125 125 25748 1 . PHE 126 126 25748 1 . THR 127 127 25748 1 . VAL 128 128 25748 1 . ALA 129 129 25748 1 . ALA 130 130 25748 1 . LYS 131 131 25748 1 . ASN 132 132 25748 1 . LYS 133 133 25748 1 . LYS 134 134 25748 1 . GLY 135 135 25748 1 . GLU 136 136 25748 1 . VAL 137 137 25748 1 . LYS 138 138 25748 1 . THR 139 139 25748 1 . TYR 140 140 25748 1 . GLY 141 141 25748 1 . GLY 142 142 25748 1 . ASP 143 143 25748 1 . LYS 144 144 25748 1 . PHE 145 145 25748 1 . GLU 146 146 25748 1 . VAL 147 147 25748 1 . SER 148 148 25748 1 . ILE 149 149 25748 1 . THR 150 150 25748 1 . GLY 151 151 25748 1 . PRO 152 152 25748 1 . ALA 153 153 25748 1 . GLU 154 154 25748 1 . GLU 155 155 25748 1 . ILE 156 156 25748 1 . THR 157 157 25748 1 . LEU 158 158 25748 1 . ASP 159 159 25748 1 . ALA 160 160 25748 1 . ILE 161 161 25748 1 . ASP 162 162 25748 1 . ASN 163 163 25748 1 . GLN 164 164 25748 1 . ASP 165 165 25748 1 . GLY 166 166 25748 1 . THR 167 167 25748 1 . TYR 168 168 25748 1 . THR 169 169 25748 1 . ALA 170 170 25748 1 . ALA 171 171 25748 1 . TYR 172 172 25748 1 . SER 173 173 25748 1 . LEU 174 174 25748 1 . VAL 175 175 25748 1 . GLY 176 176 25748 1 . ASN 177 177 25748 1 . GLY 178 178 25748 1 . ARG 179 179 25748 1 . PHE 180 180 25748 1 . SER 181 181 25748 1 . THR 182 182 25748 1 . GLY 183 183 25748 1 . VAL 184 184 25748 1 . LYS 185 185 25748 1 . LEU 186 186 25748 1 . ASN 187 187 25748 1 . GLY 188 188 25748 1 . LYS 189 189 25748 1 . HIS 190 190 25748 1 . ILE 191 191 25748 1 . GLU 192 192 25748 1 . GLY 193 193 25748 1 . SER 194 194 25748 1 . PRO 195 195 25748 1 . PHE 196 196 25748 1 . LYS 197 197 25748 1 . GLN 198 198 25748 1 . VAL 199 199 25748 1 . LEU 200 200 25748 1 . GLY 201 201 25748 1 . ASN 202 202 25748 1 . GLU 203 203 25748 1 . LEU 204 204 25748 1 . PHE 205 205 25748 1 . SER 206 206 25748 1 . THR 207 207 25748 1 . PRO 208 208 25748 1 . VAL 209 209 25748 1 . TRP 210 210 25748 1 . ILE 211 211 25748 1 . SER 212 212 25748 1 . GLN 213 213 25748 1 . ALA 214 214 25748 1 . GLN 215 215 25748 1 . GLY 216 216 25748 1 . ILE 217 217 25748 1 . ARG 218 218 25748 1 . ALA 219 219 25748 1 . GLY 220 220 25748 1 . PRO 221 221 25748 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 25748 _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 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 25748 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 25748 _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 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . pLDC-17 . . . 25748 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25748 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ddFLN5+110 [U-15N] . . 1 $entity . . 10 . . uM . . . . 25748 1 2 HEPES 'natural abundance' . . . . . . 10 . . mM . . . . 25748 1 3 'ammonium chloride' 'natural abundance' . . . . . . 30 . . mM . . . . 25748 1 4 MgCl2 'natural abundance' . . . . . . 12 . . mM . . . . 25748 1 5 BME 'natural abundance' . . . . . . 2 . . mM . . . . 25748 1 6 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 25748 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25748 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 ddFLN5+110 '[U-100% 2H, Ile d1-13CH3]' . . 1 $entity . . 10 . . uM . . . . 25748 2 2 HEPES [U-2H] . . . . . . 10 . . mM . . . . 25748 2 3 'ammonium chloride' [U-2H] . . . . . . 30 . . mM . . . . 25748 2 4 MgCl2 [U-2H] . . . . . . 12 . . mM . . . . 25748 2 5 BME [U-2H] . . . . . . 2 . . mM . . . . 25748 2 6 EDTA [U-2H] . . . . . . 1 . . mM . . . . 25748 2 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 25748 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.5 . pH 25748 1 pressure 1 . atm 25748 1 temperature 298 . K 25748 1 stop_ save_ ############################ # Computer software used # ############################ save_GROMACS _Software.Sf_category software _Software.Sf_framecode GROMACS _Software.Entry_ID 25748 _Software.ID 1 _Software.Name GROMACS _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID GROMACS . . 25748 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation using molecular dynamics simulations with chemical shifts restraints' 25748 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_UCL _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_UCL _NMR_spectrometer.Entry_ID 25748 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25748 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_UCL Bruker Avance . 700 . . . 25748 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 25748 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N SOFAST HMQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_UCL . . . . . . . . . . . . . . . . 25748 1 2 '2D 1H-13C HMQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_UCL . . . . . . . . . . . . . . . . 25748 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25748 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25748 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25748 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25748 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25748 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N SOFAST HMQC' . . . 25748 1 2 '2D 1H-13C HMQC' . . . 25748 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 9 9 LYS HA H 1 4.716 . . . . . . . 9 LYS HA . 25748 1 2 . 1 1 9 9 LYS C C 13 174.2 . . . . . . . 9 LYS C . 25748 1 3 . 1 1 9 9 LYS N N 15 127.57 . . . . . . . 9 LYS N . 25748 1 4 . 1 1 10 10 PRO HA H 1 4.311 . . . . . . . 10 PRO HA . 25748 1 5 . 1 1 10 10 PRO CA C 13 63.914 . . . . . . . 10 PRO CA . 25748 1 6 . 1 1 10 10 PRO CB C 13 33.667 . . . . . . . 10 PRO CB . 25748 1 7 . 1 1 11 11 ALA HA H 1 4.75 . . . . . . . 11 ALA HA . 25748 1 8 . 1 1 11 11 ALA CA C 13 49.511 . . . . . . . 11 ALA CA . 25748 1 9 . 1 1 11 11 ALA CB C 13 19.654 . . . . . . . 11 ALA CB . 25748 1 10 . 1 1 11 11 ALA N N 15 125.53 . . . . . . . 11 ALA N . 25748 1 11 . 1 1 12 12 PRO HA H 1 4.271 . . . . . . . 12 PRO HA . 25748 1 12 . 1 1 12 12 PRO CA C 13 62.896 . . . . . . . 12 PRO CA . 25748 1 13 . 1 1 12 12 PRO CB C 13 32.802 . . . . . . . 12 PRO CB . 25748 1 14 . 1 1 13 13 SER H H 1 9.134 . . . . . . . 13 SER H . 25748 1 15 . 1 1 13 13 SER HA H 1 4.79 . . . . . . . 13 SER HA . 25748 1 16 . 1 1 13 13 SER CB C 13 65.273 . . . . . . . 13 SER CB . 25748 1 17 . 1 1 13 13 SER N N 15 112.92 . . . . . . . 13 SER N . 25748 1 18 . 1 1 14 14 ALA HA H 1 4.123 . . . . . . . 14 ALA HA . 25748 1 19 . 1 1 14 14 ALA C C 13 176.9 . . . . . . . 14 ALA C . 25748 1 20 . 1 1 14 14 ALA CA C 13 55.869 . . . . . . . 14 ALA CA . 25748 1 21 . 1 1 14 14 ALA CB C 13 18.573 . . . . . . . 14 ALA CB . 25748 1 22 . 1 1 15 15 GLU H H 1 7.961 . . . . . . . 15 GLU H . 25748 1 23 . 1 1 15 15 GLU HA H 1 3.976 . . . . . . . 15 GLU HA . 25748 1 24 . 1 1 15 15 GLU C C 13 177.4 . . . . . . . 15 GLU C . 25748 1 25 . 1 1 15 15 GLU CA C 13 59.262 . . . . . . . 15 GLU CA . 25748 1 26 . 1 1 15 15 GLU N N 15 113.92 . . . . . . . 15 GLU N . 25748 1 27 . 1 1 16 16 HIS H H 1 7.079 . . . . . . . 16 HIS H . 25748 1 28 . 1 1 16 16 HIS HA H 1 4.801 . . . . . . . 16 HIS HA . 25748 1 29 . 1 1 16 16 HIS C C 13 177.1 . . . . . . . 16 HIS C . 25748 1 30 . 1 1 16 16 HIS CA C 13 57.21 . . . . . . . 16 HIS CA . 25748 1 31 . 1 1 16 16 HIS CB C 13 34.31 . . . . . . . 16 HIS CB . 25748 1 32 . 1 1 16 16 HIS N N 15 111.76 . . . . . . . 16 HIS N . 25748 1 33 . 1 1 17 17 SER HA H 1 4.932 . . . . . . . 17 SER HA . 25748 1 34 . 1 1 17 17 SER C C 13 170.5 . . . . . . . 17 SER C . 25748 1 35 . 1 1 17 17 SER CA C 13 62.209 . . . . . . . 17 SER CA . 25748 1 36 . 1 1 17 17 SER N N 15 117.17 . . . . . . . 17 SER N . 25748 1 37 . 1 1 18 18 TYR H H 1 8.434 . . . . . . . 18 TYR H . 25748 1 38 . 1 1 18 18 TYR HA H 1 5.025 . . . . . . . 18 TYR HA . 25748 1 39 . 1 1 18 18 TYR C C 13 171 . . . . . . . 18 TYR C . 25748 1 40 . 1 1 18 18 TYR CA C 13 56.719 . . . . . . . 18 TYR CA . 25748 1 41 . 1 1 18 18 TYR CB C 13 41.183 . . . . . . . 18 TYR CB . 25748 1 42 . 1 1 18 18 TYR N N 15 116.81 . . . . . . . 18 TYR N . 25748 1 43 . 1 1 19 19 ALA H H 1 9.626 . . . . . . . 19 ALA H . 25748 1 44 . 1 1 19 19 ALA C C 13 175.8 . . . . . . . 19 ALA C . 25748 1 45 . 1 1 19 19 ALA CA C 13 50.603 . . . . . . . 19 ALA CA . 25748 1 46 . 1 1 19 19 ALA CB C 13 24.198 . . . . . . . 19 ALA CB . 25748 1 47 . 1 1 20 20 GLU HA H 1 4.822 . . . . . . . 20 GLU HA . 25748 1 48 . 1 1 20 20 GLU CA C 13 56.443 . . . . . . . 20 GLU CA . 25748 1 49 . 1 1 20 20 GLU CB C 13 35.93 . . . . . . . 20 GLU CB . 25748 1 50 . 1 1 21 21 GLY H H 1 8.85 . . . . . . . 21 GLY H . 25748 1 51 . 1 1 21 21 GLY C C 13 174 . . . . . . . 21 GLY C . 25748 1 52 . 1 1 21 21 GLY N N 15 112.61 . . . . . . . 21 GLY N . 25748 1 53 . 1 1 22 22 GLU HA H 1 4.17 . . . . . . . 22 GLU HA . 25748 1 54 . 1 1 22 22 GLU C C 13 175.2 . . . . . . . 22 GLU C . 25748 1 55 . 1 1 22 22 GLU CA C 13 60.141 . . . . . . . 22 GLU CA . 25748 1 56 . 1 1 22 22 GLU CB C 13 29.728 . . . . . . . 22 GLU CB . 25748 1 57 . 1 1 22 22 GLU N N 15 126.71 . . . . . . . 22 GLU N . 25748 1 58 . 1 1 23 23 GLY H H 1 9.097 . . . . . . . 23 GLY H . 25748 1 59 . 1 1 23 23 GLY C C 13 171.8 . . . . . . . 23 GLY C . 25748 1 60 . 1 1 23 23 GLY CA C 13 46.815 . . . . . . . 23 GLY CA . 25748 1 61 . 1 1 23 23 GLY N N 15 104.40 . . . . . . . 23 GLY N . 25748 1 62 . 1 1 24 24 LEU H H 1 7.691 . . . . . . . 24 LEU H . 25748 1 63 . 1 1 24 24 LEU HA H 1 4.436 . . . . . . . 24 LEU HA . 25748 1 64 . 1 1 24 24 LEU C C 13 176.2 . . . . . . . 24 LEU C . 25748 1 65 . 1 1 24 24 LEU CA C 13 54.243 . . . . . . . 24 LEU CA . 25748 1 66 . 1 1 24 24 LEU CB C 13 42.197 . . . . . . . 24 LEU CB . 25748 1 67 . 1 1 25 25 VAL H H 1 8.068 . . . . . . . 25 VAL H . 25748 1 68 . 1 1 25 25 VAL HA H 1 4.133 . . . . . . . 25 VAL HA . 25748 1 69 . 1 1 25 25 VAL C C 13 175.2 . . . . . . . 25 VAL C . 25748 1 70 . 1 1 25 25 VAL CA C 13 65.137 . . . . . . . 25 VAL CA . 25748 1 71 . 1 1 25 25 VAL CB C 13 35.26 . . . . . . . 25 VAL CB . 25748 1 72 . 1 1 25 25 VAL N N 15 121.21 . . . . . . . 25 VAL N . 25748 1 73 . 1 1 26 26 LYS H H 1 8.31 . . . . . . . 26 LYS H . 25748 1 74 . 1 1 26 26 LYS C C 13 172.8 . . . . . . . 26 LYS C . 25748 1 75 . 1 1 26 26 LYS CA C 13 57.416 . . . . . . . 26 LYS CA . 25748 1 76 . 1 1 26 26 LYS CB C 13 34.117 . . . . . . . 26 LYS CB . 25748 1 77 . 1 1 26 26 LYS N N 15 121.83 . . . . . . . 26 LYS N . 25748 1 78 . 1 1 27 27 VAL H H 1 7.924 . . . . . . . 27 VAL H . 25748 1 79 . 1 1 27 27 VAL HA H 1 4.327 . . . . . . . 27 VAL HA . 25748 1 80 . 1 1 27 27 VAL C C 13 172.7 . . . . . . . 27 VAL C . 25748 1 81 . 1 1 27 27 VAL CB C 13 35.388 . . . . . . . 27 VAL CB . 25748 1 82 . 1 1 27 27 VAL N N 15 122.63 . . . . . . . 27 VAL N . 25748 1 83 . 1 1 28 28 PHE H H 1 9.087 . . . . . . . 28 PHE H . 25748 1 84 . 1 1 28 28 PHE HA H 1 5.794 . . . . . . . 28 PHE HA . 25748 1 85 . 1 1 28 28 PHE C C 13 176.8 . . . . . . . 28 PHE C . 25748 1 86 . 1 1 28 28 PHE CA C 13 56.27 . . . . . . . 28 PHE CA . 25748 1 87 . 1 1 28 28 PHE CB C 13 43.815 . . . . . . . 28 PHE CB . 25748 1 88 . 1 1 28 28 PHE N N 15 121.77 . . . . . . . 28 PHE N . 25748 1 89 . 1 1 29 29 ASP H H 1 8.029 . . . . . . . 29 ASP H . 25748 1 90 . 1 1 29 29 ASP C C 13 177.2 . . . . . . . 29 ASP C . 25748 1 91 . 1 1 29 29 ASP CA C 13 54.81 . . . . . . . 29 ASP CA . 25748 1 92 . 1 1 29 29 ASP N N 15 119.10 . . . . . . . 29 ASP N . 25748 1 93 . 1 1 30 30 ASN H H 1 7.76 . . . . . . . 30 ASN H . 25748 1 94 . 1 1 30 30 ASN HA H 1 4.758 . . . . . . . 30 ASN HA . 25748 1 95 . 1 1 30 30 ASN C C 13 175.2 . . . . . . . 30 ASN C . 25748 1 96 . 1 1 30 30 ASN CA C 13 51.712 . . . . . . . 30 ASN CA . 25748 1 97 . 1 1 30 30 ASN N N 15 115.82 . . . . . . . 30 ASN N . 25748 1 98 . 1 1 31 31 ALA H H 1 7.487 . . . . . . . 31 ALA H . 25748 1 99 . 1 1 31 31 ALA HA H 1 4.879 . . . . . . . 31 ALA HA . 25748 1 100 . 1 1 31 31 ALA C C 13 174.5 . . . . . . . 31 ALA C . 25748 1 101 . 1 1 31 31 ALA CA C 13 50.67 . . . . . . . 31 ALA CA . 25748 1 102 . 1 1 31 31 ALA CB C 13 21.572 . . . . . . . 31 ALA CB . 25748 1 103 . 1 1 31 31 ALA N N 15 122.14 . . . . . . . 31 ALA N . 25748 1 104 . 1 1 32 32 PRO HA H 1 4.288 . . . . . . . 32 PRO HA . 25748 1 105 . 1 1 32 32 PRO CA C 13 63.901 . . . . . . . 32 PRO CA . 25748 1 106 . 1 1 32 32 PRO CB C 13 32.711 . . . . . . . 32 PRO CB . 25748 1 107 . 1 1 33 33 ALA H H 1 8.891 . . . . . . . 33 ALA H . 25748 1 108 . 1 1 33 33 ALA HA H 1 4.557 . . . . . . . 33 ALA HA . 25748 1 109 . 1 1 33 33 ALA C C 13 175.9 . . . . . . . 33 ALA C . 25748 1 110 . 1 1 33 33 ALA CA C 13 50.95 . . . . . . . 33 ALA CA . 25748 1 111 . 1 1 33 33 ALA CB C 13 21.424 . . . . . . . 33 ALA CB . 25748 1 112 . 1 1 33 33 ALA N N 15 127.97 . . . . . . . 33 ALA N . 25748 1 113 . 1 1 34 34 GLU H H 1 8.441 . . . . . . . 34 GLU H . 25748 1 114 . 1 1 34 34 GLU HA H 1 5.733 . . . . . . . 34 GLU HA . 25748 1 115 . 1 1 34 34 GLU C C 13 177 . . . . . . . 34 GLU C . 25748 1 116 . 1 1 34 34 GLU CA C 13 54.868 . . . . . . . 34 GLU CA . 25748 1 117 . 1 1 34 34 GLU N N 15 117.64 . . . . . . . 34 GLU N . 25748 1 118 . 1 1 35 35 PHE H H 1 8.822 . . . . . . . 35 PHE H . 25748 1 119 . 1 1 35 35 PHE HA H 1 5.125 . . . . . . . 35 PHE HA . 25748 1 120 . 1 1 35 35 PHE C C 13 171.4 . . . . . . . 35 PHE C . 25748 1 121 . 1 1 35 35 PHE CA C 13 57.91 . . . . . . . 35 PHE CA . 25748 1 122 . 1 1 35 35 PHE CB C 13 40.633 . . . . . . . 35 PHE CB . 25748 1 123 . 1 1 35 35 PHE N N 15 116.25 . . . . . . . 35 PHE N . 25748 1 124 . 1 1 36 36 THR H H 1 8.921 . . . . . . . 36 THR H . 25748 1 125 . 1 1 36 36 THR HA H 1 5.215 . . . . . . . 36 THR HA . 25748 1 126 . 1 1 36 36 THR C C 13 173 . . . . . . . 36 THR C . 25748 1 127 . 1 1 36 36 THR CA C 13 61.722 . . . . . . . 36 THR CA . 25748 1 128 . 1 1 36 36 THR CB C 13 72.286 . . . . . . . 36 THR CB . 25748 1 129 . 1 1 36 36 THR N N 15 116.75 . . . . . . . 36 THR N . 25748 1 130 . 1 1 37 37 ILE H H 1 9.341 . . . . . . . 37 ILE H . 25748 1 131 . 1 1 37 37 ILE HA H 1 4.117 . . . . . . . 37 ILE HA . 25748 1 132 . 1 1 37 37 ILE CA C 13 61.674 . . . . . . . 37 ILE CA . 25748 1 133 . 1 1 37 37 ILE CB C 13 40.296 . . . . . . . 37 ILE CB . 25748 1 134 . 1 1 37 37 ILE N N 15 125.37 . . . . . . . 37 ILE N . 25748 1 135 . 1 1 38 38 PHE HA H 1 4.267 . . . . . . . 38 PHE HA . 25748 1 136 . 1 1 38 38 PHE C C 13 173.7 . . . . . . . 38 PHE C . 25748 1 137 . 1 1 38 38 PHE CA C 13 57.897 . . . . . . . 38 PHE CA . 25748 1 138 . 1 1 38 38 PHE CB C 13 38.901 . . . . . . . 38 PHE CB . 25748 1 139 . 1 1 38 38 PHE N N 15 128.05 . . . . . . . 38 PHE N . 25748 1 140 . 1 1 39 39 ALA H H 1 8.669 . . . . . . . 39 ALA H . 25748 1 141 . 1 1 39 39 ALA HA H 1 4.625 . . . . . . . 39 ALA HA . 25748 1 142 . 1 1 39 39 ALA C C 13 177.6 . . . . . . . 39 ALA C . 25748 1 143 . 1 1 39 39 ALA CA C 13 51.898 . . . . . . . 39 ALA CA . 25748 1 144 . 1 1 39 39 ALA CB C 13 21.666 . . . . . . . 39 ALA CB . 25748 1 145 . 1 1 39 39 ALA N N 15 124.89 . . . . . . . 39 ALA N . 25748 1 146 . 1 1 40 40 VAL H H 1 9.264 . . . . . . . 40 VAL H . 25748 1 147 . 1 1 40 40 VAL HA H 1 4.363 . . . . . . . 40 VAL HA . 25748 1 148 . 1 1 40 40 VAL C C 13 174.2 . . . . . . . 40 VAL C . 25748 1 149 . 1 1 40 40 VAL CA C 13 62.025 . . . . . . . 40 VAL CA . 25748 1 150 . 1 1 40 40 VAL CB C 13 35.713 . . . . . . . 40 VAL CB . 25748 1 151 . 1 1 40 40 VAL N N 15 127.58 . . . . . . . 40 VAL N . 25748 1 152 . 1 1 41 41 ASP H H 1 9.028 . . . . . . . 41 ASP H . 25748 1 153 . 1 1 41 41 ASP HA H 1 5.14 . . . . . . . 41 ASP HA . 25748 1 154 . 1 1 41 41 ASP C C 13 177.9 . . . . . . . 41 ASP C . 25748 1 155 . 1 1 41 41 ASP CB C 13 43.361 . . . . . . . 41 ASP CB . 25748 1 156 . 1 1 42 42 THR H H 1 7.527 . . . . . . . 42 THR H . 25748 1 157 . 1 1 42 42 THR HA H 1 4.051 . . . . . . . 42 THR HA . 25748 1 158 . 1 1 42 42 THR C C 13 175.6 . . . . . . . 42 THR C . 25748 1 159 . 1 1 42 42 THR CA C 13 64.46 . . . . . . . 42 THR CA . 25748 1 160 . 1 1 42 42 THR CB C 13 69.48 . . . . . . . 42 THR CB . 25748 1 161 . 1 1 42 42 THR N N 15 104.59 . . . . . . . 42 THR N . 25748 1 162 . 1 1 43 43 LYS HA H 1 4.475 . . . . . . . 43 LYS HA . 25748 1 163 . 1 1 43 43 LYS C C 13 176.9 . . . . . . . 43 LYS C . 25748 1 164 . 1 1 43 43 LYS CA C 13 55.375 . . . . . . . 43 LYS CA . 25748 1 165 . 1 1 43 43 LYS CB C 13 32.361 . . . . . . . 43 LYS CB . 25748 1 166 . 1 1 43 43 LYS N N 15 122.01 . . . . . . . 43 LYS N . 25748 1 167 . 1 1 44 44 GLY H H 1 8.109 . . . . . . . 44 GLY H . 25748 1 168 . 1 1 44 44 GLY C C 13 173.8 . . . . . . . 44 GLY C . 25748 1 169 . 1 1 44 44 GLY CA C 13 45.612 . . . . . . . 44 GLY CA . 25748 1 170 . 1 1 45 45 VAL HA H 1 4.021 . . . . . . . 45 VAL HA . 25748 1 171 . 1 1 45 45 VAL C C 13 175.8 . . . . . . . 45 VAL C . 25748 1 172 . 1 1 45 45 VAL CB C 13 32.407 . . . . . . . 45 VAL CB . 25748 1 173 . 1 1 46 46 ALA H H 1 8.859 . . . . . . . 46 ALA H . 25748 1 174 . 1 1 46 46 ALA HA H 1 4.553 . . . . . . . 46 ALA HA . 25748 1 175 . 1 1 46 46 ALA C C 13 179.7 . . . . . . . 46 ALA C . 25748 1 176 . 1 1 46 46 ALA CA C 13 54.602 . . . . . . . 46 ALA CA . 25748 1 177 . 1 1 46 46 ALA CB C 13 18.657 . . . . . . . 46 ALA CB . 25748 1 178 . 1 1 46 46 ALA N N 15 131.52 . . . . . . . 46 ALA N . 25748 1 179 . 1 1 47 47 ARG H H 1 8.71 . . . . . . . 47 ARG H . 25748 1 180 . 1 1 47 47 ARG HA H 1 4.454 . . . . . . . 47 ARG HA . 25748 1 181 . 1 1 47 47 ARG C C 13 177 . . . . . . . 47 ARG C . 25748 1 182 . 1 1 47 47 ARG CA C 13 55.657 . . . . . . . 47 ARG CA . 25748 1 183 . 1 1 47 47 ARG CB C 13 29.619 . . . . . . . 47 ARG CB . 25748 1 184 . 1 1 48 48 THR HA H 1 4.365 . . . . . . . 48 THR HA . 25748 1 185 . 1 1 48 48 THR C C 13 174 . . . . . . . 48 THR C . 25748 1 186 . 1 1 48 48 THR CB C 13 69.834 . . . . . . . 48 THR CB . 25748 1 187 . 1 1 48 48 THR N N 15 106.99 . . . . . . . 48 THR N . 25748 1 188 . 1 1 49 49 ASP H H 1 7.495 . . . . . . . 49 ASP H . 25748 1 189 . 1 1 49 49 ASP HA H 1 4.266 . . . . . . . 49 ASP HA . 25748 1 190 . 1 1 49 49 ASP C C 13 174.4 . . . . . . . 49 ASP C . 25748 1 191 . 1 1 49 49 ASP CA C 13 52.969 . . . . . . . 49 ASP CA . 25748 1 192 . 1 1 49 49 ASP N N 15 118.94 . . . . . . . 49 ASP N . 25748 1 193 . 1 1 50 50 GLY C C 13 175 . . . . . . . 50 GLY C . 25748 1 194 . 1 1 50 50 GLY CA C 13 45.511 . . . . . . . 50 GLY CA . 25748 1 195 . 1 1 50 50 GLY N N 15 104.09 . . . . . . . 50 GLY N . 25748 1 196 . 1 1 51 51 GLY H H 1 9.903 . . . . . . . 51 GLY H . 25748 1 197 . 1 1 51 51 GLY C C 13 175.3 . . . . . . . 51 GLY C . 25748 1 198 . 1 1 51 51 GLY N N 15 108.58 . . . . . . . 51 GLY N . 25748 1 199 . 1 1 52 52 ASP H H 1 8.634 . . . . . . . 52 ASP H . 25748 1 200 . 1 1 52 52 ASP HA H 1 5.165 . . . . . . . 52 ASP HA . 25748 1 201 . 1 1 52 52 ASP C C 13 176.2 . . . . . . . 52 ASP C . 25748 1 202 . 1 1 52 52 ASP CA C 13 52.296 . . . . . . . 52 ASP CA . 25748 1 203 . 1 1 52 52 ASP CB C 13 41.866 . . . . . . . 52 ASP CB . 25748 1 204 . 1 1 52 52 ASP N N 15 121.97 . . . . . . . 52 ASP N . 25748 1 205 . 1 1 53 53 PRO HA H 1 4.687 . . . . . . . 53 PRO HA . 25748 1 206 . 1 1 53 53 PRO C C 13 175.3 . . . . . . . 53 PRO C . 25748 1 207 . 1 1 53 53 PRO CA C 13 63.065 . . . . . . . 53 PRO CA . 25748 1 208 . 1 1 53 53 PRO CB C 13 28.228 . . . . . . . 53 PRO CB . 25748 1 209 . 1 1 54 54 PHE H H 1 7.669 . . . . . . . 54 PHE H . 25748 1 210 . 1 1 54 54 PHE HA H 1 4.701 . . . . . . . 54 PHE HA . 25748 1 211 . 1 1 54 54 PHE C C 13 175.9 . . . . . . . 54 PHE C . 25748 1 212 . 1 1 54 54 PHE CB C 13 41.026 . . . . . . . 54 PHE CB . 25748 1 213 . 1 1 54 54 PHE N N 15 123.15 . . . . . . . 54 PHE N . 25748 1 214 . 1 1 55 55 GLU H H 1 9.012 . . . . . . . 55 GLU H . 25748 1 215 . 1 1 55 55 GLU HA H 1 4.59 . . . . . . . 55 GLU HA . 25748 1 216 . 1 1 55 55 GLU C C 13 174.5 . . . . . . . 55 GLU C . 25748 1 217 . 1 1 55 55 GLU CA C 13 55.321 . . . . . . . 55 GLU CA . 25748 1 218 . 1 1 55 55 GLU CB C 13 33.345 . . . . . . . 55 GLU CB . 25748 1 219 . 1 1 55 55 GLU N N 15 121.62 . . . . . . . 55 GLU N . 25748 1 220 . 1 1 56 56 VAL HA H 1 4.654 . . . . . . . 56 VAL HA . 25748 1 221 . 1 1 56 56 VAL C C 13 173.9 . . . . . . . 56 VAL C . 25748 1 222 . 1 1 56 56 VAL CA C 13 61.785 . . . . . . . 56 VAL CA . 25748 1 223 . 1 1 56 56 VAL CB C 13 34.428 . . . . . . . 56 VAL CB . 25748 1 224 . 1 1 56 56 VAL N N 15 121.00 . . . . . . . 56 VAL N . 25748 1 225 . 1 1 57 57 ALA H H 1 8.614 . . . . . . . 57 ALA H . 25748 1 226 . 1 1 57 57 ALA HA H 1 4.88 . . . . . . . 57 ALA HA . 25748 1 227 . 1 1 57 57 ALA C C 13 176.2 . . . . . . . 57 ALA C . 25748 1 228 . 1 1 57 57 ALA CA C 13 51.335 . . . . . . . 57 ALA CA . 25748 1 229 . 1 1 57 57 ALA CB C 13 21.544 . . . . . . . 57 ALA CB . 25748 1 230 . 1 1 58 58 ILE H H 1 9.111 . . . . . . . 58 ILE H . 25748 1 231 . 1 1 58 58 ILE HA H 1 5.154 . . . . . . . 58 ILE HA . 25748 1 232 . 1 1 58 58 ILE C C 13 174.1 . . . . . . . 58 ILE C . 25748 1 233 . 1 1 58 58 ILE CA C 13 60.77 . . . . . . . 58 ILE CA . 25748 1 234 . 1 1 58 58 ILE CB C 13 40.805 . . . . . . . 58 ILE CB . 25748 1 235 . 1 1 58 58 ILE N N 15 124.67 . . . . . . . 58 ILE N . 25748 1 236 . 1 1 59 59 ASN H H 1 8.717 . . . . . . . 59 ASN H . 25748 1 237 . 1 1 59 59 ASN C C 13 175.2 . . . . . . . 59 ASN C . 25748 1 238 . 1 1 59 59 ASN CA C 13 52.603 . . . . . . . 59 ASN CA . 25748 1 239 . 1 1 59 59 ASN CB C 13 42.648 . . . . . . . 59 ASN CB . 25748 1 240 . 1 1 59 59 ASN N N 15 126.04 . . . . . . . 59 ASN N . 25748 1 241 . 1 1 60 60 GLY H H 1 9.367 . . . . . . . 60 GLY H . 25748 1 242 . 1 1 60 60 GLY C C 13 170.2 . . . . . . . 60 GLY C . 25748 1 243 . 1 1 60 60 GLY CA C 13 45.127 . . . . . . . 60 GLY CA . 25748 1 244 . 1 1 60 60 GLY N N 15 112.22 . . . . . . . 60 GLY N . 25748 1 245 . 1 1 61 61 PRO C C 13 177.3 . . . . . . . 61 PRO C . 25748 1 246 . 1 1 61 61 PRO CA C 13 63.778 . . . . . . . 61 PRO CA . 25748 1 247 . 1 1 61 61 PRO CB C 13 32.396 . . . . . . . 61 PRO CB . 25748 1 248 . 1 1 62 62 ASP H H 1 8.907 . . . . . . . 62 ASP H . 25748 1 249 . 1 1 62 62 ASP HA H 1 4.259 . . . . . . . 62 ASP HA . 25748 1 250 . 1 1 62 62 ASP C C 13 176.1 . . . . . . . 62 ASP C . 25748 1 251 . 1 1 62 62 ASP CA C 13 55.54 . . . . . . . 62 ASP CA . 25748 1 252 . 1 1 62 62 ASP CB C 13 40.358 . . . . . . . 62 ASP CB . 25748 1 253 . 1 1 62 62 ASP N N 15 119.83 . . . . . . . 62 ASP N . 25748 1 254 . 1 1 63 63 GLY H H 1 8.129 . . . . . . . 63 GLY H . 25748 1 255 . 1 1 63 63 GLY C C 13 174.6 . . . . . . . 63 GLY C . 25748 1 256 . 1 1 63 63 GLY CA C 13 46.091 . . . . . . . 63 GLY CA . 25748 1 257 . 1 1 63 63 GLY N N 15 104.86 . . . . . . . 63 GLY N . 25748 1 258 . 1 1 64 64 LEU H H 1 7.146 . . . . . . . 64 LEU H . 25748 1 259 . 1 1 64 64 LEU HA H 1 4.117 . . . . . . . 64 LEU HA . 25748 1 260 . 1 1 64 64 LEU C C 13 176.2 . . . . . . . 64 LEU C . 25748 1 261 . 1 1 64 64 LEU CA C 13 56.387 . . . . . . . 64 LEU CA . 25748 1 262 . 1 1 64 64 LEU CB C 13 43.874 . . . . . . . 64 LEU CB . 25748 1 263 . 1 1 64 64 LEU N N 15 123.21 . . . . . . . 64 LEU N . 25748 1 264 . 1 1 65 65 VAL H H 1 8.609 . . . . . . . 65 VAL H . 25748 1 265 . 1 1 65 65 VAL HA H 1 4.348 . . . . . . . 65 VAL HA . 25748 1 266 . 1 1 65 65 VAL C C 13 176 . . . . . . . 65 VAL C . 25748 1 267 . 1 1 65 65 VAL CA C 13 63.4 . . . . . . . 65 VAL CA . 25748 1 268 . 1 1 65 65 VAL CB C 13 33.119 . . . . . . . 65 VAL CB . 25748 1 269 . 1 1 65 65 VAL N N 15 129.00 . . . . . . . 65 VAL N . 25748 1 270 . 1 1 66 66 VAL H H 1 8.049 . . . . . . . 66 VAL H . 25748 1 271 . 1 1 66 66 VAL HA H 1 4.215 . . . . . . . 66 VAL HA . 25748 1 272 . 1 1 66 66 VAL C C 13 174.6 . . . . . . . 66 VAL C . 25748 1 273 . 1 1 66 66 VAL CA C 13 61.736 . . . . . . . 66 VAL CA . 25748 1 274 . 1 1 66 66 VAL CB C 13 34.084 . . . . . . . 66 VAL CB . 25748 1 275 . 1 1 66 66 VAL N N 15 128.79 . . . . . . . 66 VAL N . 25748 1 276 . 1 1 67 67 ASP H H 1 8.931 . . . . . . . 67 ASP H . 25748 1 277 . 1 1 67 67 ASP HA H 1 4.819 . . . . . . . 67 ASP HA . 25748 1 278 . 1 1 67 67 ASP C C 13 175.1 . . . . . . . 67 ASP C . 25748 1 279 . 1 1 67 67 ASP CA C 13 54.071 . . . . . . . 67 ASP CA . 25748 1 280 . 1 1 67 67 ASP CB C 13 41.779 . . . . . . . 67 ASP CB . 25748 1 281 . 1 1 67 67 ASP N N 15 127.71 . . . . . . . 67 ASP N . 25748 1 282 . 1 1 68 68 ALA H H 1 8.733 . . . . . . . 68 ALA H . 25748 1 283 . 1 1 68 68 ALA HA H 1 4.681 . . . . . . . 68 ALA HA . 25748 1 284 . 1 1 68 68 ALA C C 13 176.4 . . . . . . . 68 ALA C . 25748 1 285 . 1 1 68 68 ALA CA C 13 51.536 . . . . . . . 68 ALA CA . 25748 1 286 . 1 1 68 68 ALA CB C 13 20.87 . . . . . . . 68 ALA CB . 25748 1 287 . 1 1 69 69 LYS H H 1 8.869 . . . . . . . 69 LYS H . 25748 1 288 . 1 1 69 69 LYS HA H 1 4.585 . . . . . . . 69 LYS HA . 25748 1 289 . 1 1 69 69 LYS C C 13 175.8 . . . . . . . 69 LYS C . 25748 1 290 . 1 1 69 69 LYS CA C 13 56.283 . . . . . . . 69 LYS CA . 25748 1 291 . 1 1 69 69 LYS CB C 13 33.495 . . . . . . . 69 LYS CB . 25748 1 292 . 1 1 69 69 LYS N N 15 123.26 . . . . . . . 69 LYS N . 25748 1 293 . 1 1 70 70 VAL H H 1 8.857 . . . . . . . 70 VAL H . 25748 1 294 . 1 1 70 70 VAL C C 13 176.3 . . . . . . . 70 VAL C . 25748 1 295 . 1 1 70 70 VAL CA C 13 61.665 . . . . . . . 70 VAL CA . 25748 1 296 . 1 1 70 70 VAL CB C 13 33.7 . . . . . . . 70 VAL CB . 25748 1 297 . 1 1 71 71 THR H H 1 9.918 . . . . . . . 71 THR H . 25748 1 298 . 1 1 71 71 THR HA H 1 4.408 . . . . . . . 71 THR HA . 25748 1 299 . 1 1 71 71 THR C C 13 172.9 . . . . . . . 71 THR C . 25748 1 300 . 1 1 71 71 THR CA C 13 62.228 . . . . . . . 71 THR CA . 25748 1 301 . 1 1 71 71 THR CB C 13 71.175 . . . . . . . 71 THR CB . 25748 1 302 . 1 1 71 71 THR N N 15 126.49 . . . . . . . 71 THR N . 25748 1 303 . 1 1 72 72 ASP H H 1 8.851 . . . . . . . 72 ASP H . 25748 1 304 . 1 1 72 72 ASP HA H 1 4.268 . . . . . . . 72 ASP HA . 25748 1 305 . 1 1 72 72 ASP C C 13 176.2 . . . . . . . 72 ASP C . 25748 1 306 . 1 1 72 72 ASP CA C 13 53.688 . . . . . . . 72 ASP CA . 25748 1 307 . 1 1 72 72 ASP CB C 13 41.427 . . . . . . . 72 ASP CB . 25748 1 308 . 1 1 72 72 ASP N N 15 126.80 . . . . . . . 72 ASP N . 25748 1 309 . 1 1 73 73 ASN H H 1 7.471 . . . . . . . 73 ASN H . 25748 1 310 . 1 1 73 73 ASN HA H 1 4.513 . . . . . . . 73 ASN HA . 25748 1 311 . 1 1 73 73 ASN C C 13 174.6 . . . . . . . 73 ASN C . 25748 1 312 . 1 1 73 73 ASN CA C 13 54.507 . . . . . . . 73 ASN CA . 25748 1 313 . 1 1 73 73 ASN CB C 13 38.008 . . . . . . . 73 ASN CB . 25748 1 314 . 1 1 73 73 ASN N N 15 125.07 . . . . . . . 73 ASN N . 25748 1 315 . 1 1 74 74 ASN H H 1 9.49 . . . . . . . 74 ASN H . 25748 1 316 . 1 1 74 74 ASN HA H 1 4.042 . . . . . . . 74 ASN HA . 25748 1 317 . 1 1 74 74 ASN C C 13 173.2 . . . . . . . 74 ASN C . 25748 1 318 . 1 1 74 74 ASN CA C 13 54.77 . . . . . . . 74 ASN CA . 25748 1 319 . 1 1 74 74 ASN CB C 13 37.65 . . . . . . . 74 ASN CB . 25748 1 320 . 1 1 74 74 ASN N N 15 117.18 . . . . . . . 74 ASN N . 25748 1 321 . 1 1 75 75 ASP H H 1 7.795 . . . . . . . 75 ASP H . 25748 1 322 . 1 1 75 75 ASP C C 13 175.6 . . . . . . . 75 ASP C . 25748 1 323 . 1 1 75 75 ASP CA C 13 53.177 . . . . . . . 75 ASP CA . 25748 1 324 . 1 1 75 75 ASP CB C 13 41.593 . . . . . . . 75 ASP CB . 25748 1 325 . 1 1 75 75 ASP N N 15 116.04 . . . . . . . 75 ASP N . 25748 1 326 . 1 1 76 76 GLY H H 1 8.17 . . . . . . . 76 GLY H . 25748 1 327 . 1 1 76 76 GLY C C 13 172.5 . . . . . . . 76 GLY C . 25748 1 328 . 1 1 76 76 GLY CA C 13 45.63 . . . . . . . 76 GLY CA . 25748 1 329 . 1 1 76 76 GLY N N 15 109.92 . . . . . . . 76 GLY N . 25748 1 330 . 1 1 77 77 THR H H 1 8.02 . . . . . . . 77 THR H . 25748 1 331 . 1 1 77 77 THR HA H 1 5.568 . . . . . . . 77 THR HA . 25748 1 332 . 1 1 77 77 THR C C 13 175.2 . . . . . . . 77 THR C . 25748 1 333 . 1 1 77 77 THR CA C 13 59.855 . . . . . . . 77 THR CA . 25748 1 334 . 1 1 77 77 THR CB C 13 73.354 . . . . . . . 77 THR CB . 25748 1 335 . 1 1 77 77 THR N N 15 108.77 . . . . . . . 77 THR N . 25748 1 336 . 1 1 78 78 TYR H H 1 8.696 . . . . . . . 78 TYR H . 25748 1 337 . 1 1 78 78 TYR HA H 1 5.029 . . . . . . . 78 TYR HA . 25748 1 338 . 1 1 78 78 TYR C C 13 175.7 . . . . . . . 78 TYR C . 25748 1 339 . 1 1 78 78 TYR CA C 13 56.571 . . . . . . . 78 TYR CA . 25748 1 340 . 1 1 78 78 TYR CB C 13 40.641 . . . . . . . 78 TYR CB . 25748 1 341 . 1 1 78 78 TYR N N 15 120.07 . . . . . . . 78 TYR N . 25748 1 342 . 1 1 79 79 GLY H H 1 9.166 . . . . . . . 79 GLY H . 25748 1 343 . 1 1 79 79 GLY C C 13 172.8 . . . . . . . 79 GLY C . 25748 1 344 . 1 1 79 79 GLY CA C 13 46.042 . . . . . . . 79 GLY CA . 25748 1 345 . 1 1 79 79 GLY N N 15 112.43 . . . . . . . 79 GLY N . 25748 1 346 . 1 1 80 80 VAL H H 1 8.767 . . . . . . . 80 VAL H . 25748 1 347 . 1 1 80 80 VAL HA H 1 4.872 . . . . . . . 80 VAL HA . 25748 1 348 . 1 1 80 80 VAL C C 13 175.2 . . . . . . . 80 VAL C . 25748 1 349 . 1 1 80 80 VAL CA C 13 61.315 . . . . . . . 80 VAL CA . 25748 1 350 . 1 1 80 80 VAL CB C 13 33.38 . . . . . . . 80 VAL CB . 25748 1 351 . 1 1 80 80 VAL N N 15 124.09 . . . . . . . 80 VAL N . 25748 1 352 . 1 1 81 81 VAL H H 1 8.39 . . . . . . . 81 VAL H . 25748 1 353 . 1 1 81 81 VAL HA H 1 5.345 . . . . . . . 81 VAL HA . 25748 1 354 . 1 1 81 81 VAL C C 13 174.8 . . . . . . . 81 VAL C . 25748 1 355 . 1 1 81 81 VAL CA C 13 60.478 . . . . . . . 81 VAL CA . 25748 1 356 . 1 1 81 81 VAL CB C 13 35.918 . . . . . . . 81 VAL CB . 25748 1 357 . 1 1 81 81 VAL N N 15 126.33 . . . . . . . 81 VAL N . 25748 1 358 . 1 1 82 82 TYR H H 1 9.34 . . . . . . . 82 TYR H . 25748 1 359 . 1 1 82 82 TYR HA H 1 5.041 . . . . . . . 82 TYR HA . 25748 1 360 . 1 1 82 82 TYR CA C 13 56.558 . . . . . . . 82 TYR CA . 25748 1 361 . 1 1 82 82 TYR CB C 13 41.816 . . . . . . . 82 TYR CB . 25748 1 362 . 1 1 82 82 TYR N N 15 124.09 . . . . . . . 82 TYR N . 25748 1 363 . 1 1 83 83 ASP H H 1 8.211 . . . . . . . 83 ASP H . 25748 1 364 . 1 1 83 83 ASP HA H 1 4.691 . . . . . . . 83 ASP HA . 25748 1 365 . 1 1 83 83 ASP C C 13 173.7 . . . . . . . 83 ASP C . 25748 1 366 . 1 1 83 83 ASP CA C 13 53.657 . . . . . . . 83 ASP CA . 25748 1 367 . 1 1 83 83 ASP CB C 13 43.583 . . . . . . . 83 ASP CB . 25748 1 368 . 1 1 83 83 ASP N N 15 119.35 . . . . . . . 83 ASP N . 25748 1 369 . 1 1 84 84 ALA H H 1 8.782 . . . . . . . 84 ALA H . 25748 1 370 . 1 1 84 84 ALA HA H 1 3.768 . . . . . . . 84 ALA HA . 25748 1 371 . 1 1 84 84 ALA C C 13 174.8 . . . . . . . 84 ALA C . 25748 1 372 . 1 1 84 84 ALA CA C 13 51.329 . . . . . . . 84 ALA CA . 25748 1 373 . 1 1 84 84 ALA CB C 13 19.596 . . . . . . . 84 ALA CB . 25748 1 374 . 1 1 84 84 ALA N N 15 127.59 . . . . . . . 84 ALA N . 25748 1 375 . 1 1 85 85 PRO HA H 1 4.548 . . . . . . . 85 PRO HA . 25748 1 376 . 1 1 85 85 PRO C C 13 176.7 . . . . . . . 85 PRO C . 25748 1 377 . 1 1 85 85 PRO CA C 13 64.847 . . . . . . . 85 PRO CA . 25748 1 378 . 1 1 86 86 VAL H H 1 6.898 . . . . . . . 86 VAL H . 25748 1 379 . 1 1 86 86 VAL HA H 1 4.671 . . . . . . . 86 VAL HA . 25748 1 380 . 1 1 86 86 VAL C C 13 175.2 . . . . . . . 86 VAL C . 25748 1 381 . 1 1 86 86 VAL CA C 13 59.668 . . . . . . . 86 VAL CA . 25748 1 382 . 1 1 86 86 VAL CB C 13 36.21 . . . . . . . 86 VAL CB . 25748 1 383 . 1 1 86 86 VAL N N 15 113.19 . . . . . . . 86 VAL N . 25748 1 384 . 1 1 87 87 GLU H H 1 9.111 . . . . . . . 87 GLU H . 25748 1 385 . 1 1 87 87 GLU HA H 1 4.144 . . . . . . . 87 GLU HA . 25748 1 386 . 1 1 87 87 GLU C C 13 174.1 . . . . . . . 87 GLU C . 25748 1 387 . 1 1 87 87 GLU CA C 13 57.846 . . . . . . . 87 GLU CA . 25748 1 388 . 1 1 87 87 GLU CB C 13 30.466 . . . . . . . 87 GLU CB . 25748 1 389 . 1 1 87 87 GLU N N 15 126.51 . . . . . . . 87 GLU N . 25748 1 390 . 1 1 88 88 GLY H H 1 8.303 . . . . . . . 88 GLY H . 25748 1 391 . 1 1 88 88 GLY C C 13 171.9 . . . . . . . 88 GLY C . 25748 1 392 . 1 1 88 88 GLY CA C 13 44.237 . . . . . . . 88 GLY CA . 25748 1 393 . 1 1 89 89 ASN H H 1 8.517 . . . . . . . 89 ASN H . 25748 1 394 . 1 1 89 89 ASN C C 13 174.5 . . . . . . . 89 ASN C . 25748 1 395 . 1 1 89 89 ASN CA C 13 54.688 . . . . . . . 89 ASN CA . 25748 1 396 . 1 1 89 89 ASN CB C 13 41.341 . . . . . . . 89 ASN CB . 25748 1 397 . 1 1 89 89 ASN N N 15 119.44 . . . . . . . 89 ASN N . 25748 1 398 . 1 1 90 90 TYR H H 1 9.563 . . . . . . . 90 TYR H . 25748 1 399 . 1 1 90 90 TYR HA H 1 4.725 . . . . . . . 90 TYR HA . 25748 1 400 . 1 1 90 90 TYR C C 13 173.6 . . . . . . . 90 TYR C . 25748 1 401 . 1 1 90 90 TYR CA C 13 57.468 . . . . . . . 90 TYR CA . 25748 1 402 . 1 1 90 90 TYR CB C 13 39.83 . . . . . . . 90 TYR CB . 25748 1 403 . 1 1 90 90 TYR N N 15 124.87 . . . . . . . 90 TYR N . 25748 1 404 . 1 1 91 91 ASN H H 1 8.981 . . . . . . . 91 ASN H . 25748 1 405 . 1 1 91 91 ASN C C 13 173.5 . . . . . . . 91 ASN C . 25748 1 406 . 1 1 91 91 ASN CA C 13 53.683 . . . . . . . 91 ASN CA . 25748 1 407 . 1 1 91 91 ASN CB C 13 42.515 . . . . . . . 91 ASN CB . 25748 1 408 . 1 1 91 91 ASN N N 15 122.94 . . . . . . . 91 ASN N . 25748 1 409 . 1 1 92 92 VAL H H 1 9.474 . . . . . . . 92 VAL H . 25748 1 410 . 1 1 92 92 VAL HA H 1 4.211 . . . . . . . 92 VAL HA . 25748 1 411 . 1 1 92 92 VAL C C 13 173 . . . . . . . 92 VAL C . 25748 1 412 . 1 1 92 92 VAL CA C 13 62.377 . . . . . . . 92 VAL CA . 25748 1 413 . 1 1 92 92 VAL CB C 13 33.585 . . . . . . . 92 VAL CB . 25748 1 414 . 1 1 92 92 VAL N N 15 128.75 . . . . . . . 92 VAL N . 25748 1 415 . 1 1 93 93 ASN H H 1 8.921 . . . . . . . 93 ASN H . 25748 1 416 . 1 1 93 93 ASN HA H 1 5.264 . . . . . . . 93 ASN HA . 25748 1 417 . 1 1 93 93 ASN C C 13 174.9 . . . . . . . 93 ASN C . 25748 1 418 . 1 1 93 93 ASN CA C 13 51.338 . . . . . . . 93 ASN CA . 25748 1 419 . 1 1 93 93 ASN CB C 13 41.909 . . . . . . . 93 ASN CB . 25748 1 420 . 1 1 93 93 ASN N N 15 123.48 . . . . . . . 93 ASN N . 25748 1 421 . 1 1 94 94 VAL H H 1 7.569 . . . . . . . 94 VAL H . 25748 1 422 . 1 1 94 94 VAL C C 13 174.6 . . . . . . . 94 VAL C . 25748 1 423 . 1 1 94 94 VAL CA C 13 61.483 . . . . . . . 94 VAL CA . 25748 1 424 . 1 1 94 94 VAL CB C 13 33.264 . . . . . . . 94 VAL CB . 25748 1 425 . 1 1 94 94 VAL N N 15 127.74 . . . . . . . 94 VAL N . 25748 1 426 . 1 1 95 95 THR H H 1 9.229 . . . . . . . 95 THR H . 25748 1 427 . 1 1 95 95 THR C C 13 173 . . . . . . . 95 THR C . 25748 1 428 . 1 1 95 95 THR CA C 13 59.315 . . . . . . . 95 THR CA . 25748 1 429 . 1 1 95 95 THR CB C 13 73.581 . . . . . . . 95 THR CB . 25748 1 430 . 1 1 95 95 THR N N 15 116.06 . . . . . . . 95 THR N . 25748 1 431 . 1 1 96 96 LEU H H 1 8.737 . . . . . . . 96 LEU H . 25748 1 432 . 1 1 96 96 LEU HA H 1 4.351 . . . . . . . 96 LEU HA . 25748 1 433 . 1 1 96 96 LEU C C 13 176.1 . . . . . . . 96 LEU C . 25748 1 434 . 1 1 96 96 LEU CA C 13 53.956 . . . . . . . 96 LEU CA . 25748 1 435 . 1 1 96 96 LEU CB C 13 44.842 . . . . . . . 96 LEU CB . 25748 1 436 . 1 1 96 96 LEU N N 15 119.77 . . . . . . . 96 LEU N . 25748 1 437 . 1 1 97 97 ARG HA H 1 3.855 . . . . . . . 97 ARG HA . 25748 1 438 . 1 1 97 97 ARG C C 13 176 . . . . . . . 97 ARG C . 25748 1 439 . 1 1 97 97 ARG CA C 13 57.361 . . . . . . . 97 ARG CA . 25748 1 440 . 1 1 97 97 ARG CB C 13 28.437 . . . . . . . 97 ARG CB . 25748 1 441 . 1 1 97 97 ARG N N 15 128.72 . . . . . . . 97 ARG N . 25748 1 442 . 1 1 98 98 GLY H H 1 8.763 . . . . . . . 98 GLY H . 25748 1 443 . 1 1 98 98 GLY C C 13 173.6 . . . . . . . 98 GLY C . 25748 1 444 . 1 1 98 98 GLY CA C 13 45.399 . . . . . . . 98 GLY CA . 25748 1 445 . 1 1 98 98 GLY N N 15 102.86 . . . . . . . 98 GLY N . 25748 1 446 . 1 1 99 99 ASN H H 1 7.665 . . . . . . . 99 ASN H . 25748 1 447 . 1 1 99 99 ASN HA H 1 5.293 . . . . . . . 99 ASN HA . 25748 1 448 . 1 1 99 99 ASN C C 13 172.3 . . . . . . . 99 ASN C . 25748 1 449 . 1 1 99 99 ASN CB C 13 40.278 . . . . . . . 99 ASN CB . 25748 1 450 . 1 1 99 99 ASN N N 15 119.97 . . . . . . . 99 ASN N . 25748 1 451 . 1 1 100 100 PRO HA H 1 4.643 . . . . . . . 100 PRO HA . 25748 1 452 . 1 1 100 100 PRO C C 13 177 . . . . . . . 100 PRO C . 25748 1 453 . 1 1 100 100 PRO CA C 13 63.506 . . . . . . . 100 PRO CA . 25748 1 454 . 1 1 100 100 PRO CB C 13 32.437 . . . . . . . 100 PRO CB . 25748 1 455 . 1 1 101 101 ILE H H 1 7.672 . . . . . . . 101 ILE H . 25748 1 456 . 1 1 101 101 ILE HA H 1 4.741 . . . . . . . 101 ILE HA . 25748 1 457 . 1 1 101 101 ILE C C 13 174.3 . . . . . . . 101 ILE C . 25748 1 458 . 1 1 101 101 ILE CA C 13 60.625 . . . . . . . 101 ILE CA . 25748 1 459 . 1 1 101 101 ILE CB C 13 36.617 . . . . . . . 101 ILE CB . 25748 1 460 . 1 1 101 101 ILE N N 15 113.84 . . . . . . . 101 ILE N . 25748 1 461 . 1 1 102 102 LYS HA H 1 5.276 . . . . . . . 102 LYS HA . 25748 1 462 . 1 1 102 102 LYS C C 13 177.1 . . . . . . . 102 LYS C . 25748 1 463 . 1 1 102 102 LYS CB C 13 33.176 . . . . . . . 102 LYS CB . 25748 1 464 . 1 1 102 102 LYS N N 15 119.97 . . . . . . . 102 LYS N . 25748 1 465 . 1 1 103 103 ASN H H 1 8.902 . . . . . . . 103 ASN H . 25748 1 466 . 1 1 103 103 ASN HA H 1 4.359 . . . . . . . 103 ASN HA . 25748 1 467 . 1 1 103 103 ASN C C 13 172.2 . . . . . . . 103 ASN C . 25748 1 468 . 1 1 103 103 ASN CA C 13 54.735 . . . . . . . 103 ASN CA . 25748 1 469 . 1 1 103 103 ASN CB C 13 37.855 . . . . . . . 103 ASN CB . 25748 1 470 . 1 1 103 103 ASN N N 15 117.18 . . . . . . . 103 ASN N . 25748 1 471 . 1 1 104 104 MET H H 1 7.519 . . . . . . . 104 MET H . 25748 1 472 . 1 1 104 104 MET HA H 1 4.822 . . . . . . . 104 MET HA . 25748 1 473 . 1 1 104 104 MET CB C 13 33.53 . . . . . . . 104 MET CB . 25748 1 474 . 1 1 104 104 MET N N 15 115.88 . . . . . . . 104 MET N . 25748 1 475 . 1 1 105 105 PRO HA H 1 4.931 . . . . . . . 105 PRO HA . 25748 1 476 . 1 1 105 105 PRO C C 13 175.3 . . . . . . . 105 PRO C . 25748 1 477 . 1 1 105 105 PRO CA C 13 62.332 . . . . . . . 105 PRO CA . 25748 1 478 . 1 1 105 105 PRO CB C 13 36.146 . . . . . . . 105 PRO CB . 25748 1 479 . 1 1 106 106 ILE H H 1 9.06 . . . . . . . 106 ILE H . 25748 1 480 . 1 1 106 106 ILE HA H 1 4.552 . . . . . . . 106 ILE HA . 25748 1 481 . 1 1 106 106 ILE C C 13 173.3 . . . . . . . 106 ILE C . 25748 1 482 . 1 1 106 106 ILE CA C 13 60.399 . . . . . . . 106 ILE CA . 25748 1 483 . 1 1 106 106 ILE CB C 13 43.209 . . . . . . . 106 ILE CB . 25748 1 484 . 1 1 106 106 ILE N N 15 119.54 . . . . . . . 106 ILE N . 25748 1 485 . 1 1 107 107 ASP H H 1 8.157 . . . . . . . 107 ASP H . 25748 1 486 . 1 1 107 107 ASP HA H 1 5.55 . . . . . . . 107 ASP HA . 25748 1 487 . 1 1 107 107 ASP C C 13 175.4 . . . . . . . 107 ASP C . 25748 1 488 . 1 1 107 107 ASP CA C 13 54.609 . . . . . . . 107 ASP CA . 25748 1 489 . 1 1 107 107 ASP CB C 13 43.134 . . . . . . . 107 ASP CB . 25748 1 490 . 1 1 108 108 VAL H H 1 9.62 . . . . . . . 108 VAL H . 25748 1 491 . 1 1 108 108 VAL HA H 1 4.12 . . . . . . . 108 VAL HA . 25748 1 492 . 1 1 108 108 VAL CA C 13 61.445 . . . . . . . 108 VAL CA . 25748 1 493 . 1 1 109 109 LYS H H 1 8.304 . . . . . . . 109 LYS H . 25748 1 494 . 1 1 109 109 LYS HA H 1 4.731 . . . . . . . 109 LYS HA . 25748 1 495 . 1 1 109 109 LYS C C 13 174.8 . . . . . . . 109 LYS C . 25748 1 496 . 1 1 109 109 LYS CA C 13 56.086 . . . . . . . 109 LYS CA . 25748 1 497 . 1 1 109 109 LYS CB C 13 33.983 . . . . . . . 109 LYS CB . 25748 1 498 . 1 1 109 109 LYS N N 15 126.76 . . . . . . . 109 LYS N . 25748 1 499 . 1 1 110 110 CYS H H 1 9.287 . . . . . . . 110 CYS H . 25748 1 500 . 1 1 110 110 CYS HA H 1 5.043 . . . . . . . 110 CYS HA . 25748 1 501 . 1 1 110 110 CYS C C 13 175.2 . . . . . . . 110 CYS C . 25748 1 502 . 1 1 110 110 CYS CA C 13 55.178 . . . . . . . 110 CYS CA . 25748 1 503 . 1 1 110 110 CYS CB C 13 29.587 . . . . . . . 110 CYS CB . 25748 1 504 . 1 1 110 110 CYS N N 15 125.24 . . . . . . . 110 CYS N . 25748 1 505 . 1 1 111 111 ILE H H 1 8.698 . . . . . . . 111 ILE H . 25748 1 506 . 1 1 111 111 ILE HA H 1 4.732 . . . . . . . 111 ILE HA . 25748 1 507 . 1 1 111 111 ILE C C 13 174.4 . . . . . . . 111 ILE C . 25748 1 508 . 1 1 111 111 ILE CA C 13 59.727 . . . . . . . 111 ILE CA . 25748 1 509 . 1 1 111 111 ILE CB C 13 41.668 . . . . . . . 111 ILE CB . 25748 1 510 . 1 1 111 111 ILE N N 15 126.5 . . . . . . . 111 ILE N . 25748 1 511 . 1 1 112 112 GLU H H 1 8.407 . . . . . . . 112 GLU H . 25748 1 512 . 1 1 112 112 GLU HA H 1 4.177 . . . . . . . 112 GLU HA . 25748 1 513 . 1 1 112 112 GLU C C 13 177 . . . . . . . 112 GLU C . 25748 1 514 . 1 1 112 112 GLU CA C 13 57.547 . . . . . . . 112 GLU CA . 25748 1 515 . 1 1 112 112 GLU N N 15 121.72 . . . . . . . 112 GLU N . 25748 1 516 . 1 1 113 113 GLY H H 1 8.792 . . . . . . . 113 GLY H . 25748 1 517 . 1 1 113 113 GLY C C 13 179.4 . . . . . . . 113 GLY C . 25748 1 518 . 1 1 113 113 GLY CA C 13 46.332 . . . . . . . 113 GLY CA . 25748 1 519 . 1 1 113 113 GLY N N 15 119.50 . . . . . . . 113 GLY N . 25748 1 520 . 1 1 114 114 ALA H H 1 8.255 . . . . . . . 114 ALA H . 25748 1 521 . 1 1 114 114 ALA N N 15 124.44 . . . . . . . 114 ALA N . 25748 1 522 . 1 1 115 115 ASN H H 1 8.441 . . . . . . . 115 ASN H . 25748 1 523 . 1 1 115 115 ASN N N 15 118.60 . . . . . . . 115 ASN N . 25748 1 524 . 1 1 116 116 GLY H H 1 8.352 . . . . . . . 116 GLY H . 25748 1 525 . 1 1 116 116 GLY N N 15 109.63 . . . . . . . 116 GLY N . 25748 1 526 . 1 1 117 117 GLU H H 1 8.339 . . . . . . . 117 GLU H . 25748 1 527 . 1 1 117 117 GLU N N 15 120.44 . . . . . . . 117 GLU N . 25748 1 528 . 1 1 118 118 ASP H H 1 8.394 . . . . . . . 118 ASP H . 25748 1 529 . 1 1 118 118 ASP N N 15 121.36 . . . . . . . 118 ASP N . 25748 1 530 . 1 1 119 119 SER H H 1 8.302 . . . . . . . 119 SER H . 25748 1 531 . 1 1 119 119 SER N N 15 116.87 . . . . . . . 119 SER N . 25748 1 532 . 1 1 122 122 GLY H H 1 8.198 . . . . . . . 122 GLY H . 25748 1 533 . 1 1 122 122 GLY N N 15 110.49 . . . . . . . 122 GLY N . 25748 1 534 . 1 1 128 128 VAL H H 1 8.12 . . . . . . . 128 VAL H . 25748 1 535 . 1 1 128 128 VAL N N 15 122.63 . . . . . . . 128 VAL N . 25748 1 536 . 1 1 130 130 ALA H H 1 8.158 . . . . . . . 130 ALA H . 25748 1 537 . 1 1 130 130 ALA N N 15 122.85 . . . . . . . 130 ALA N . 25748 1 538 . 1 1 131 131 LYS H H 1 8.193 . . . . . . . 131 LYS H . 25748 1 539 . 1 1 131 131 LYS N N 15 119.90 . . . . . . . 131 LYS N . 25748 1 540 . 1 1 134 134 LYS H H 1 8.323 . . . . . . . 134 LYS H . 25748 1 541 . 1 1 134 134 LYS N N 15 122.35 . . . . . . . 134 LYS N . 25748 1 542 . 1 1 135 135 GLY H H 1 8.363 . . . . . . . 135 GLY H . 25748 1 543 . 1 1 135 135 GLY N N 15 109.93 . . . . . . . 135 GLY N . 25748 1 544 . 1 1 136 136 GLU H H 1 8.152 . . . . . . . 136 GLU H . 25748 1 545 . 1 1 136 136 GLU N N 15 120.49 . . . . . . . 136 GLU N . 25748 1 546 . 1 1 137 137 VAL H H 1 8.272 . . . . . . . 137 VAL H . 25748 1 547 . 1 1 137 137 VAL N N 15 122.20 . . . . . . . 137 VAL N . 25748 1 548 . 1 1 138 138 LYS H H 1 8.461 . . . . . . . 138 LYS H . 25748 1 549 . 1 1 138 138 LYS N N 15 125.97 . . . . . . . 138 LYS N . 25748 1 550 . 1 1 139 139 THR H H 1 8.111 . . . . . . . 139 THR H . 25748 1 551 . 1 1 139 139 THR N N 15 115.73 . . . . . . . 139 THR N . 25748 1 552 . 1 1 144 144 LYS H H 1 8.19 . . . . . . . 144 LYS H . 25748 1 553 . 1 1 144 144 LYS N N 15 120.88 . . . . . . . 144 LYS N . 25748 1 554 . 1 1 145 145 PHE H H 1 8.19 . . . . . . . 145 PHE H . 25748 1 555 . 1 1 145 145 PHE N N 15 120.88 . . . . . . . 145 PHE N . 25748 1 556 . 1 1 146 146 GLU H H 1 8.26 . . . . . . . 146 GLU H . 25748 1 557 . 1 1 146 146 GLU N N 15 122.71 . . . . . . . 146 GLU N . 25748 1 558 . 1 1 148 148 SER H H 1 8.403 . . . . . . . 148 SER H . 25748 1 559 . 1 1 148 148 SER N N 15 119.88 . . . . . . . 148 SER N . 25748 1 560 . 1 1 149 149 ILE H H 1 8.285 . . . . . . . 149 ILE H . 25748 1 561 . 1 1 149 149 ILE N N 15 123.05 . . . . . . . 149 ILE N . 25748 1 562 . 1 1 150 150 THR H H 1 8.205 . . . . . . . 150 THR H . 25748 1 563 . 1 1 150 150 THR N N 15 117.56 . . . . . . . 150 THR N . 25748 1 564 . 1 1 151 151 GLY H H 1 8.215 . . . . . . . 151 GLY H . 25748 1 565 . 1 1 151 151 GLY N N 15 111.72 . . . . . . . 151 GLY N . 25748 1 566 . 1 1 153 153 ALA H H 1 8.425 . . . . . . . 153 ALA H . 25748 1 567 . 1 1 153 153 ALA N N 15 124.42 . . . . . . . 153 ALA N . 25748 1 568 . 1 1 155 155 GLU H H 1 8.383 . . . . . . . 155 GLU H . 25748 1 569 . 1 1 155 155 GLU N N 15 122.33 . . . . . . . 155 GLU N . 25748 1 570 . 1 1 156 156 ILE H H 1 8.227 . . . . . . . 156 ILE H . 25748 1 571 . 1 1 156 156 ILE N N 15 122.86 . . . . . . . 156 ILE N . 25748 1 572 . 1 1 158 158 LEU H H 1 8.395 . . . . . . . 158 LEU H . 25748 1 573 . 1 1 158 158 LEU N N 15 125.81 . . . . . . . 158 LEU N . 25748 1 574 . 1 1 159 159 ASP H H 1 8.293 . . . . . . . 159 ASP H . 25748 1 575 . 1 1 159 159 ASP N N 15 121.15 . . . . . . . 159 ASP N . 25748 1 576 . 1 1 160 160 ALA H H 1 8.108 . . . . . . . 160 ALA H . 25748 1 577 . 1 1 160 160 ALA N N 15 124.15 . . . . . . . 160 ALA N . 25748 1 578 . 1 1 161 161 ILE H H 1 8.088 . . . . . . . 161 ILE H . 25748 1 579 . 1 1 161 161 ILE N N 15 120.08 . . . . . . . 161 ILE N . 25748 1 580 . 1 1 162 162 ASP H H 1 8.332 . . . . . . . 162 ASP H . 25748 1 581 . 1 1 162 162 ASP N N 15 124.13 . . . . . . . 162 ASP N . 25748 1 582 . 1 1 165 165 ASP H H 1 8.329 . . . . . . . 165 ASP H . 25748 1 583 . 1 1 165 165 ASP N N 15 120.58 . . . . . . . 165 ASP N . 25748 1 584 . 1 1 166 166 GLY H H 1 8.342 . . . . . . . 166 GLY H . 25748 1 585 . 1 1 166 166 GLY N N 15 109.48 . . . . . . . 166 GLY N . 25748 1 586 . 1 1 167 167 THR H H 1 8.049 . . . . . . . 167 THR H . 25748 1 587 . 1 1 167 167 THR N N 15 113.84 . . . . . . . 167 THR N . 25748 1 588 . 1 1 168 168 TYR H H 1 8.259 . . . . . . . 168 TYR H . 25748 1 589 . 1 1 168 168 TYR N N 15 122.86 . . . . . . . 168 TYR N . 25748 1 590 . 1 1 171 171 ALA H H 1 8.132 . . . . . . . 171 ALA H . 25748 1 591 . 1 1 171 171 ALA N N 15 123.91 . . . . . . . 171 ALA N . 25748 1 592 . 1 1 197 197 LYS H H 1 8.026 . . . . . . . 197 LYS H . 25748 1 593 . 1 1 197 197 LYS N N 15 123.15 . . . . . . . 197 LYS N . 25748 1 594 . 1 1 198 198 GLN H H 1 8.314 . . . . . . . 198 GLN H . 25748 1 595 . 1 1 198 198 GLN N N 15 122.51 . . . . . . . 198 GLN N . 25748 1 596 . 1 1 199 199 VAL H H 1 8.277 . . . . . . . 199 VAL H . 25748 1 597 . 1 1 199 199 VAL N N 15 122.61 . . . . . . . 199 VAL N . 25748 1 stop_ save_