data_26587 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26587 _Entry.Title ; Backbone chemical shifts of Roquin ROQ domain in complex with Ox40 stem-hexa-loop RNA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-06-16 _Entry.Accession_date 2015-06-16 _Entry.Last_release_date 2016-10-04 _Entry.Original_release_date 2016-10-04 _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 ; Backbone chemical shifts of Roquin ROQ domain (residues 171-326) in complex with a SELEX-like hexa-loop mRNA motif from the Ox40 3'UTR ; _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 Andreas Schlundt . . . . 26587 2 Michael Sattler . . . . 26587 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26587 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 296 26587 '15N chemical shifts' 144 26587 '1H chemical shifts' 144 26587 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2016-10-04 . original BMRB . 26587 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26588 'ROQ-SELEX consensus hexa-loop RNA' 26587 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26587 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27010430 _Citation.Full_citation . _Citation.Title ; Roquin recognizes a non-canonical hexaloop structure in the 3'-UTR of Ox40 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Comm.' _Citation.Journal_name_full . _Citation.Journal_volume 7 _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 11032 _Citation.Page_last 11032 _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 Robert Janowski . . . . 26587 1 2 Gitta Heinz . A. . . 26587 1 3 Andreas Schlundt . . . . 26587 1 4 Nina Wommelsdorf . . . . 26587 1 5 Sven Brenner . . . . 26587 1 6 Andreas Gruber . R. . . 26587 1 7 Michael Blank . . . . 26587 1 8 Thorsten Buch . . . . 26587 1 9 Raymund Buhmann . . . . 26587 1 10 Mihaela Zavolan . . . . 26587 1 11 Dierk Niessing . . . . 26587 1 12 Vigo Heissmeyer . . . . 26587 1 13 Michael Sattler . . . . 26587 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID ROQ 26587 1 Roquin 26587 1 hexa-loop 26587 1 'mRNA regulation' 26587 1 stem-loops 26587 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26587 _Assembly.ID 1 _Assembly.Name 'ROQ-Ox40hexa-loop RNA' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 24805 _Assembly.Enzyme_commission_number . _Assembly.Details '1:1 complex of ROQ domain and hexa-loop RNA' _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 'ROQ domain' 1 $Roquin_ROQ_domain A . yes native no no . "RNA recognition motif in 3'UTR of Ox40 mRNA" "Sequence: 5'-UCCACACCGUUCUAGGUGCUGG-3'" 26587 1 2 'Ox40 hexa-loop RNA' 2 $hexa_loop_RNA A . no native no no . . "Sequence: 5'-UCCACACCGUUCUAGGUGCUGG-3'" 26587 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Roquin_ROQ_domain _Entity.Sf_category entity _Entity.Sf_framecode Roquin_ROQ_domain _Entity.Entry_ID 26587 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Roquin_ROQ_domain _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 ; PQQLSSNLWAAVRARGCQFL GPAMQEEALKLVLLALEDGS ALSRKVLVLFVVQRLEPRFP QASKTSIGHVVQLLYRASCF KVTKRDEDSSLMQLKEEFRT YEALRREHDSQIVQIAMEAG LRIAPDQWSSLLYGDQSHKS HMQSIIDKLQT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq Pro176-Thr326 _Entity.Polymer_author_seq_details 'Construct was from 171-326 but sequential assignments only available from 176-326.' _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 151 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'ROQ domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 17773.4 _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 1 176 PRO . 26587 1 2 177 GLN . 26587 1 3 178 GLN . 26587 1 4 179 LEU . 26587 1 5 180 SER . 26587 1 6 181 SER . 26587 1 7 182 ASN . 26587 1 8 183 LEU . 26587 1 9 184 TRP . 26587 1 10 185 ALA . 26587 1 11 186 ALA . 26587 1 12 187 VAL . 26587 1 13 188 ARG . 26587 1 14 189 ALA . 26587 1 15 190 ARG . 26587 1 16 191 GLY . 26587 1 17 192 CYS . 26587 1 18 193 GLN . 26587 1 19 194 PHE . 26587 1 20 195 LEU . 26587 1 21 196 GLY . 26587 1 22 197 PRO . 26587 1 23 198 ALA . 26587 1 24 199 MET . 26587 1 25 200 GLN . 26587 1 26 201 GLU . 26587 1 27 202 GLU . 26587 1 28 203 ALA . 26587 1 29 204 LEU . 26587 1 30 205 LYS . 26587 1 31 206 LEU . 26587 1 32 207 VAL . 26587 1 33 208 LEU . 26587 1 34 209 LEU . 26587 1 35 210 ALA . 26587 1 36 211 LEU . 26587 1 37 212 GLU . 26587 1 38 213 ASP . 26587 1 39 214 GLY . 26587 1 40 215 SER . 26587 1 41 216 ALA . 26587 1 42 217 LEU . 26587 1 43 218 SER . 26587 1 44 219 ARG . 26587 1 45 220 LYS . 26587 1 46 221 VAL . 26587 1 47 222 LEU . 26587 1 48 223 VAL . 26587 1 49 224 LEU . 26587 1 50 225 PHE . 26587 1 51 226 VAL . 26587 1 52 227 VAL . 26587 1 53 228 GLN . 26587 1 54 229 ARG . 26587 1 55 230 LEU . 26587 1 56 231 GLU . 26587 1 57 232 PRO . 26587 1 58 233 ARG . 26587 1 59 234 PHE . 26587 1 60 235 PRO . 26587 1 61 236 GLN . 26587 1 62 237 ALA . 26587 1 63 238 SER . 26587 1 64 239 LYS . 26587 1 65 240 THR . 26587 1 66 241 SER . 26587 1 67 242 ILE . 26587 1 68 243 GLY . 26587 1 69 244 HIS . 26587 1 70 245 VAL . 26587 1 71 246 VAL . 26587 1 72 247 GLN . 26587 1 73 248 LEU . 26587 1 74 249 LEU . 26587 1 75 250 TYR . 26587 1 76 251 ARG . 26587 1 77 252 ALA . 26587 1 78 253 SER . 26587 1 79 254 CYS . 26587 1 80 255 PHE . 26587 1 81 256 LYS . 26587 1 82 257 VAL . 26587 1 83 258 THR . 26587 1 84 259 LYS . 26587 1 85 260 ARG . 26587 1 86 261 ASP . 26587 1 87 262 GLU . 26587 1 88 263 ASP . 26587 1 89 264 SER . 26587 1 90 265 SER . 26587 1 91 266 LEU . 26587 1 92 267 MET . 26587 1 93 268 GLN . 26587 1 94 269 LEU . 26587 1 95 270 LYS . 26587 1 96 271 GLU . 26587 1 97 272 GLU . 26587 1 98 273 PHE . 26587 1 99 274 ARG . 26587 1 100 275 THR . 26587 1 101 276 TYR . 26587 1 102 277 GLU . 26587 1 103 278 ALA . 26587 1 104 279 LEU . 26587 1 105 280 ARG . 26587 1 106 281 ARG . 26587 1 107 282 GLU . 26587 1 108 283 HIS . 26587 1 109 284 ASP . 26587 1 110 285 SER . 26587 1 111 286 GLN . 26587 1 112 287 ILE . 26587 1 113 288 VAL . 26587 1 114 289 GLN . 26587 1 115 290 ILE . 26587 1 116 291 ALA . 26587 1 117 292 MET . 26587 1 118 293 GLU . 26587 1 119 294 ALA . 26587 1 120 295 GLY . 26587 1 121 296 LEU . 26587 1 122 297 ARG . 26587 1 123 298 ILE . 26587 1 124 299 ALA . 26587 1 125 300 PRO . 26587 1 126 301 ASP . 26587 1 127 302 GLN . 26587 1 128 303 TRP . 26587 1 129 304 SER . 26587 1 130 305 SER . 26587 1 131 306 LEU . 26587 1 132 307 LEU . 26587 1 133 308 TYR . 26587 1 134 309 GLY . 26587 1 135 310 ASP . 26587 1 136 311 GLN . 26587 1 137 312 SER . 26587 1 138 313 HIS . 26587 1 139 314 LYS . 26587 1 140 315 SER . 26587 1 141 316 HIS . 26587 1 142 317 MET . 26587 1 143 318 GLN . 26587 1 144 319 SER . 26587 1 145 320 ILE . 26587 1 146 321 ILE . 26587 1 147 322 ASP . 26587 1 148 323 LYS . 26587 1 149 324 LEU . 26587 1 150 325 GLN . 26587 1 151 326 THR . 26587 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 . PRO 1 1 26587 1 . GLN 2 2 26587 1 . GLN 3 3 26587 1 . LEU 4 4 26587 1 . SER 5 5 26587 1 . SER 6 6 26587 1 . ASN 7 7 26587 1 . LEU 8 8 26587 1 . TRP 9 9 26587 1 . ALA 10 10 26587 1 . ALA 11 11 26587 1 . VAL 12 12 26587 1 . ARG 13 13 26587 1 . ALA 14 14 26587 1 . ARG 15 15 26587 1 . GLY 16 16 26587 1 . CYS 17 17 26587 1 . GLN 18 18 26587 1 . PHE 19 19 26587 1 . LEU 20 20 26587 1 . GLY 21 21 26587 1 . PRO 22 22 26587 1 . ALA 23 23 26587 1 . MET 24 24 26587 1 . GLN 25 25 26587 1 . GLU 26 26 26587 1 . GLU 27 27 26587 1 . ALA 28 28 26587 1 . LEU 29 29 26587 1 . LYS 30 30 26587 1 . LEU 31 31 26587 1 . VAL 32 32 26587 1 . LEU 33 33 26587 1 . LEU 34 34 26587 1 . ALA 35 35 26587 1 . LEU 36 36 26587 1 . GLU 37 37 26587 1 . ASP 38 38 26587 1 . GLY 39 39 26587 1 . SER 40 40 26587 1 . ALA 41 41 26587 1 . LEU 42 42 26587 1 . SER 43 43 26587 1 . ARG 44 44 26587 1 . LYS 45 45 26587 1 . VAL 46 46 26587 1 . LEU 47 47 26587 1 . VAL 48 48 26587 1 . LEU 49 49 26587 1 . PHE 50 50 26587 1 . VAL 51 51 26587 1 . VAL 52 52 26587 1 . GLN 53 53 26587 1 . ARG 54 54 26587 1 . LEU 55 55 26587 1 . GLU 56 56 26587 1 . PRO 57 57 26587 1 . ARG 58 58 26587 1 . PHE 59 59 26587 1 . PRO 60 60 26587 1 . GLN 61 61 26587 1 . ALA 62 62 26587 1 . SER 63 63 26587 1 . LYS 64 64 26587 1 . THR 65 65 26587 1 . SER 66 66 26587 1 . ILE 67 67 26587 1 . GLY 68 68 26587 1 . HIS 69 69 26587 1 . VAL 70 70 26587 1 . VAL 71 71 26587 1 . GLN 72 72 26587 1 . LEU 73 73 26587 1 . LEU 74 74 26587 1 . TYR 75 75 26587 1 . ARG 76 76 26587 1 . ALA 77 77 26587 1 . SER 78 78 26587 1 . CYS 79 79 26587 1 . PHE 80 80 26587 1 . LYS 81 81 26587 1 . VAL 82 82 26587 1 . THR 83 83 26587 1 . LYS 84 84 26587 1 . ARG 85 85 26587 1 . ASP 86 86 26587 1 . GLU 87 87 26587 1 . ASP 88 88 26587 1 . SER 89 89 26587 1 . SER 90 90 26587 1 . LEU 91 91 26587 1 . MET 92 92 26587 1 . GLN 93 93 26587 1 . LEU 94 94 26587 1 . LYS 95 95 26587 1 . GLU 96 96 26587 1 . GLU 97 97 26587 1 . PHE 98 98 26587 1 . ARG 99 99 26587 1 . THR 100 100 26587 1 . TYR 101 101 26587 1 . GLU 102 102 26587 1 . ALA 103 103 26587 1 . LEU 104 104 26587 1 . ARG 105 105 26587 1 . ARG 106 106 26587 1 . GLU 107 107 26587 1 . HIS 108 108 26587 1 . ASP 109 109 26587 1 . SER 110 110 26587 1 . GLN 111 111 26587 1 . ILE 112 112 26587 1 . VAL 113 113 26587 1 . GLN 114 114 26587 1 . ILE 115 115 26587 1 . ALA 116 116 26587 1 . MET 117 117 26587 1 . GLU 118 118 26587 1 . ALA 119 119 26587 1 . GLY 120 120 26587 1 . LEU 121 121 26587 1 . ARG 122 122 26587 1 . ILE 123 123 26587 1 . ALA 124 124 26587 1 . PRO 125 125 26587 1 . ASP 126 126 26587 1 . GLN 127 127 26587 1 . TRP 128 128 26587 1 . SER 129 129 26587 1 . SER 130 130 26587 1 . LEU 131 131 26587 1 . LEU 132 132 26587 1 . TYR 133 133 26587 1 . GLY 134 134 26587 1 . ASP 135 135 26587 1 . GLN 136 136 26587 1 . SER 137 137 26587 1 . HIS 138 138 26587 1 . LYS 139 139 26587 1 . SER 140 140 26587 1 . HIS 141 141 26587 1 . MET 142 142 26587 1 . GLN 143 143 26587 1 . SER 144 144 26587 1 . ILE 145 145 26587 1 . ILE 146 146 26587 1 . ASP 147 147 26587 1 . LYS 148 148 26587 1 . LEU 149 149 26587 1 . GLN 150 150 26587 1 . THR 151 151 26587 1 stop_ save_ save_hexa_loop_RNA _Entity.Sf_category entity _Entity.Sf_framecode hexa_loop_RNA _Entity.Entry_ID 26587 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'Ox40 hexa-loop RNA' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; UCCACACCGUUCUAGGUGCU GG ; _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 22 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 U . 26587 2 2 2 C . 26587 2 3 3 C . 26587 2 4 4 A . 26587 2 5 5 C . 26587 2 6 6 A . 26587 2 7 7 C . 26587 2 8 8 C . 26587 2 9 9 G . 26587 2 10 10 U . 26587 2 11 11 U . 26587 2 12 12 C . 26587 2 13 13 U . 26587 2 14 14 A . 26587 2 15 15 G . 26587 2 16 16 G . 26587 2 17 17 U . 26587 2 18 18 G . 26587 2 19 19 C . 26587 2 20 20 U . 26587 2 21 21 G . 26587 2 22 22 G . 26587 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 . U 1 1 26587 2 . C 2 2 26587 2 . C 3 3 26587 2 . A 4 4 26587 2 . C 5 5 26587 2 . A 6 6 26587 2 . C 7 7 26587 2 . C 8 8 26587 2 . G 9 9 26587 2 . U 10 10 26587 2 . U 11 11 26587 2 . C 12 12 26587 2 . U 13 13 26587 2 . A 14 14 26587 2 . G 15 15 26587 2 . G 16 16 26587 2 . U 17 17 26587 2 . G 18 18 26587 2 . C 19 19 26587 2 . U 20 20 26587 2 . G 21 21 26587 2 . G 22 22 26587 2 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 26587 _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 $Roquin_ROQ_domain . 10090 organism . 'Mus musculus' 'house mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . 26587 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 26587 _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 $Roquin_ROQ_domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . . . . pETTrx1a . . . 26587 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26587 _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 'Roquin ROQ domain' '[U-99% 13C; U-99% 15N]' . . 1 $Roquin_ROQ_domain . . 0.4 . . mM . . . . 26587 1 2 'Ox40 hexa-loop RNA' 'natural abundance' . . 2 $hexa_loop_RNA . . 0.46 . . mM . . . . 26587 1 3 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 26587 1 4 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 26587 1 5 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 26587 1 6 TCEP 'natural abundance' . . . . . . 4 . . mM . . . . 26587 1 7 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 26587 1 8 H2O '[U-100% 2H]' . . . . . . 90 . . % . . . . 26587 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 26587 _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 'ionic strength' 0.15 . M 26587 1 pH 6.5 . pH 26587 1 pressure 1 . atm 26587 1 temperature 298 . K 26587 1 stop_ save_ ############################ # Computer software used # ############################ save_CCPNMR_Analysis _Software.Sf_category software _Software.Sf_framecode CCPNMR_Analysis _Software.Entry_ID 26587 _Software.ID 1 _Software.Name CCPNMR_Analysis _Software.Version 2.4.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 26587 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26587 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 26587 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details Cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 26587 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details Cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 26587 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 Cryoprobe . . 26587 1 2 spectrometer_2 Bruker Avance . 800 Cryoprobe . . 26587 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 26587 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26587 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26587 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26587 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26587 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26587 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 26587 _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 TMS 'methyl carbon' . . . . ppm 0.00 na direct 0.251449530 . . . . . 26587 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 na direct 1 . . . . . 26587 1 N 15 urea nitrogen . . . . ppm 0.00 na direct 0.101329118 . . . . . 26587 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 26587 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 26587 1 2 '3D HNCA' . . . 26587 1 3 '3D HNCO' . . . 26587 1 4 '3D HN(CO)CA' . . . 26587 1 5 '3D HN(CA)CO' . . . 26587 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 PRO C C 13 179.848 0.000 . 1 . . . . 176 Pro C . 26587 1 2 . 1 1 2 2 GLN H H 1 8.251 0.005 . 1 . . . . 177 Gln H . 26587 1 3 . 1 1 2 2 GLN C C 13 177.630 0.000 . 1 . . . . 177 Gln C . 26587 1 4 . 1 1 2 2 GLN CA C 13 57.377 0.000 . 1 . . . . 177 Gln CA . 26587 1 5 . 1 1 2 2 GLN N N 15 118.141 0.282 . 1 . . . . 177 Gln N . 26587 1 6 . 1 1 3 3 GLN H H 1 7.957 0.023 . 1 . . . . 178 Gln H . 26587 1 7 . 1 1 3 3 GLN C C 13 177.173 0.000 . 1 . . . . 178 Gln C . 26587 1 8 . 1 1 3 3 GLN CA C 13 57.091 0.000 . 1 . . . . 178 Gln CA . 26587 1 9 . 1 1 3 3 GLN N N 15 120.741 0.276 . 1 . . . . 178 Gln N . 26587 1 10 . 1 1 4 4 LEU H H 1 7.823 0.007 . 1 . . . . 179 Leu H . 26587 1 11 . 1 1 4 4 LEU C C 13 178.356 0.000 . 1 . . . . 179 Leu C . 26587 1 12 . 1 1 4 4 LEU CA C 13 57.634 0.000 . 1 . . . . 179 Leu CA . 26587 1 13 . 1 1 4 4 LEU N N 15 120.488 0.065 . 1 . . . . 179 Leu N . 26587 1 14 . 1 1 5 5 SER H H 1 7.931 0.005 . 1 . . . . 180 Ser H . 26587 1 15 . 1 1 5 5 SER C C 13 174.118 0.000 . 1 . . . . 180 Ser C . 26587 1 16 . 1 1 5 5 SER CA C 13 60.907 0.000 . 1 . . . . 180 Ser CA . 26587 1 17 . 1 1 5 5 SER N N 15 112.556 0.066 . 1 . . . . 180 Ser N . 26587 1 18 . 1 1 6 6 SER H H 1 7.658 0.009 . 1 . . . . 181 Ser H . 26587 1 19 . 1 1 6 6 SER C C 13 174.367 0.000 . 1 . . . . 181 Ser C . 26587 1 20 . 1 1 6 6 SER CA C 13 61.320 0.000 . 1 . . . . 181 Ser CA . 26587 1 21 . 1 1 6 6 SER N N 15 115.490 0.071 . 1 . . . . 181 Ser N . 26587 1 22 . 1 1 7 7 ASN H H 1 8.138 0.000 . 1 . . . . 182 Asn H . 26587 1 23 . 1 1 7 7 ASN C C 13 177.729 0.000 . 1 . . . . 182 Asn C . 26587 1 24 . 1 1 7 7 ASN CA C 13 55.171 0.000 . 1 . . . . 182 Asn CA . 26587 1 25 . 1 1 7 7 ASN N N 15 120.250 0.000 . 1 . . . . 182 Asn N . 26587 1 26 . 1 1 8 8 LEU H H 1 8.035 0.004 . 1 . . . . 183 Leu H . 26587 1 27 . 1 1 8 8 LEU C C 13 177.874 0.000 . 1 . . . . 183 Leu C . 26587 1 28 . 1 1 8 8 LEU CA C 13 57.678 0.000 . 1 . . . . 183 Leu CA . 26587 1 29 . 1 1 8 8 LEU N N 15 123.388 0.067 . 1 . . . . 183 Leu N . 26587 1 30 . 1 1 9 9 TRP H H 1 8.095 0.000 . 1 . . . . 184 Trp H . 26587 1 31 . 1 1 9 9 TRP HE1 H 1 10.188 0.005 . 1 . . . . 184 Trp HE1 . 26587 1 32 . 1 1 9 9 TRP C C 13 179.438 0.000 . 1 . . . . 184 Trp C . 26587 1 33 . 1 1 9 9 TRP CA C 13 58.184 0.000 . 1 . . . . 184 Trp CA . 26587 1 34 . 1 1 9 9 TRP N N 15 117.148 0.000 . 1 . . . . 184 Trp N . 26587 1 35 . 1 1 9 9 TRP NE1 N 15 128.519 0.109 . 1 . . . . 184 Trp NE1 . 26587 1 36 . 1 1 10 10 ALA H H 1 8.007 0.018 . 1 . . . . 185 Ala H . 26587 1 37 . 1 1 10 10 ALA C C 13 180.453 0.000 . 1 . . . . 185 Ala C . 26587 1 38 . 1 1 10 10 ALA CA C 13 54.994 0.000 . 1 . . . . 185 Ala CA . 26587 1 39 . 1 1 10 10 ALA N N 15 120.690 0.015 . 1 . . . . 185 Ala N . 26587 1 40 . 1 1 11 11 ALA H H 1 7.709 0.025 . 1 . . . . 186 Ala H . 26587 1 41 . 1 1 11 11 ALA C C 13 180.259 0.000 . 1 . . . . 186 Ala C . 26587 1 42 . 1 1 11 11 ALA CA C 13 54.743 0.000 . 1 . . . . 186 Ala CA . 26587 1 43 . 1 1 11 11 ALA N N 15 122.621 0.061 . 1 . . . . 186 Ala N . 26587 1 44 . 1 1 12 12 VAL H H 1 8.123 0.000 . 1 . . . . 187 Val H . 26587 1 45 . 1 1 12 12 VAL C C 13 178.490 0.000 . 1 . . . . 187 Val C . 26587 1 46 . 1 1 12 12 VAL CA C 13 66.853 0.000 . 1 . . . . 187 Val CA . 26587 1 47 . 1 1 12 12 VAL N N 15 118.918 0.005 . 1 . . . . 187 Val N . 26587 1 48 . 1 1 13 13 ARG H H 1 8.503 0.004 . 1 . . . . 188 Arg H . 26587 1 49 . 1 1 13 13 ARG C C 13 180.899 0.000 . 1 . . . . 188 Arg C . 26587 1 50 . 1 1 13 13 ARG CA C 13 57.655 0.000 . 1 . . . . 188 Arg CA . 26587 1 51 . 1 1 13 13 ARG N N 15 120.457 0.031 . 1 . . . . 188 Arg N . 26587 1 52 . 1 1 14 14 ALA H H 1 8.104 0.008 . 1 . . . . 189 Ala H . 26587 1 53 . 1 1 14 14 ALA C C 13 178.638 0.000 . 1 . . . . 189 Ala C . 26587 1 54 . 1 1 14 14 ALA CA C 13 53.988 0.000 . 1 . . . . 189 Ala CA . 26587 1 55 . 1 1 14 14 ALA N N 15 122.219 0.175 . 1 . . . . 189 Ala N . 26587 1 56 . 1 1 15 15 ARG H H 1 7.089 0.020 . 1 . . . . 190 Arg H . 26587 1 57 . 1 1 15 15 ARG C C 13 176.424 0.000 . 1 . . . . 190 Arg C . 26587 1 58 . 1 1 15 15 ARG CA C 13 53.401 0.000 . 1 . . . . 190 Arg CA . 26587 1 59 . 1 1 15 15 ARG N N 15 114.687 0.094 . 1 . . . . 190 Arg N . 26587 1 60 . 1 1 16 16 GLY H H 1 8.128 0.040 . 1 . . . . 191 Gly H . 26587 1 61 . 1 1 16 16 GLY C C 13 173.661 0.000 . 1 . . . . 191 Gly C . 26587 1 62 . 1 1 16 16 GLY CA C 13 45.921 0.000 . 1 . . . . 191 Gly CA . 26587 1 63 . 1 1 16 16 GLY N N 15 109.358 0.101 . 1 . . . . 191 Gly N . 26587 1 64 . 1 1 17 17 CYS H H 1 6.995 0.006 . 1 . . . . 192 Cys H . 26587 1 65 . 1 1 17 17 CYS C C 13 172.780 0.000 . 1 . . . . 192 Cys C . 26587 1 66 . 1 1 17 17 CYS CA C 13 56.847 0.000 . 1 . . . . 192 Cys CA . 26587 1 67 . 1 1 17 17 CYS N N 15 113.394 0.026 . 1 . . . . 192 Cys N . 26587 1 68 . 1 1 18 18 GLN H H 1 6.442 0.008 . 1 . . . . 193 Gln H . 26587 1 69 . 1 1 18 18 GLN C C 13 172.269 0.000 . 1 . . . . 193 Gln C . 26587 1 70 . 1 1 18 18 GLN CA C 13 55.831 0.000 . 1 . . . . 193 Gln CA . 26587 1 71 . 1 1 18 18 GLN N N 15 115.559 0.072 . 1 . . . . 193 Gln N . 26587 1 72 . 1 1 19 19 PHE H H 1 8.240 0.014 . 1 . . . . 194 Phe H . 26587 1 73 . 1 1 19 19 PHE C C 13 178.805 0.000 . 1 . . . . 194 Phe C . 26587 1 74 . 1 1 19 19 PHE CA C 13 56.416 0.000 . 1 . . . . 194 Phe CA . 26587 1 75 . 1 1 19 19 PHE N N 15 120.808 0.230 . 1 . . . . 194 Phe N . 26587 1 76 . 1 1 20 20 LEU H H 1 8.339 0.006 . 1 . . . . 195 Leu H . 26587 1 77 . 1 1 20 20 LEU C C 13 175.604 0.000 . 1 . . . . 195 Leu C . 26587 1 78 . 1 1 20 20 LEU CA C 13 54.766 0.000 . 1 . . . . 195 Leu CA . 26587 1 79 . 1 1 20 20 LEU N N 15 127.385 0.052 . 1 . . . . 195 Leu N . 26587 1 80 . 1 1 22 22 PRO C C 13 179.075 0.000 . 1 . . . . 197 Pro C . 26587 1 81 . 1 1 22 22 PRO CA C 13 66.885 0.000 . 1 . . . . 197 Pro CA . 26587 1 82 . 1 1 23 23 ALA H H 1 8.038 0.004 . 1 . . . . 198 Ala H . 26587 1 83 . 1 1 23 23 ALA C C 13 179.869 0.000 . 1 . . . . 198 Ala C . 26587 1 84 . 1 1 23 23 ALA CA C 13 54.746 0.000 . 1 . . . . 198 Ala CA . 26587 1 85 . 1 1 23 23 ALA N N 15 119.650 0.092 . 1 . . . . 198 Ala N . 26587 1 86 . 1 1 24 24 MET H H 1 8.222 0.013 . 1 . . . . 199 Met H . 26587 1 87 . 1 1 24 24 MET C C 13 177.419 0.000 . 1 . . . . 199 Met C . 26587 1 88 . 1 1 24 24 MET CA C 13 58.692 0.000 . 1 . . . . 199 Met CA . 26587 1 89 . 1 1 24 24 MET N N 15 117.820 0.240 . 1 . . . . 199 Met N . 26587 1 90 . 1 1 25 25 GLN H H 1 8.376 0.008 . 1 . . . . 200 Gln H . 26587 1 91 . 1 1 25 25 GLN C C 13 179.145 0.000 . 1 . . . . 200 Gln C . 26587 1 92 . 1 1 25 25 GLN CA C 13 60.080 0.000 . 1 . . . . 200 Gln CA . 26587 1 93 . 1 1 25 25 GLN N N 15 118.232 0.046 . 1 . . . . 200 Gln N . 26587 1 94 . 1 1 26 26 GLU H H 1 7.104 0.014 . 1 . . . . 201 Glu H . 26587 1 95 . 1 1 26 26 GLU C C 13 177.661 0.000 . 1 . . . . 201 Glu C . 26587 1 96 . 1 1 26 26 GLU CA C 13 59.538 0.000 . 1 . . . . 201 Glu CA . 26587 1 97 . 1 1 26 26 GLU N N 15 115.117 0.103 . 1 . . . . 201 Glu N . 26587 1 98 . 1 1 26 26 GLU H H 1 7.503 0.008 . 1 . . . . 202 Glu H . 26587 1 99 . 1 1 26 26 GLU C C 13 179.235 0.000 . 1 . . . . 202 Glu C . 26587 1 100 . 1 1 27 27 GLU CA C 13 58.788 0.000 . 1 . . . . 202 Glu CA . 26587 1 101 . 1 1 27 27 GLU N N 15 116.414 0.163 . 1 . . . . 202 Glu N . 26587 1 102 . 1 1 28 28 ALA H H 1 8.472 0.000 . 1 . . . . 203 Ala H . 26587 1 103 . 1 1 28 28 ALA C C 13 179.673 0.000 . 1 . . . . 203 Ala C . 26587 1 104 . 1 1 28 28 ALA CA C 13 55.264 0.000 . 1 . . . . 203 Ala CA . 26587 1 105 . 1 1 28 28 ALA N N 15 120.166 0.000 . 1 . . . . 203 Ala N . 26587 1 106 . 1 1 29 29 LEU H H 1 8.186 0.010 . 1 . . . . 204 Leu H . 26587 1 107 . 1 1 29 29 LEU C C 13 179.353 0.000 . 1 . . . . 204 Leu C . 26587 1 108 . 1 1 29 29 LEU CA C 13 57.911 0.000 . 1 . . . . 204 Leu CA . 26587 1 109 . 1 1 29 29 LEU N N 15 116.365 0.074 . 1 . . . . 204 Leu N . 26587 1 110 . 1 1 30 30 LYS H H 1 8.396 0.000 . 1 . . . . 205 Lys H . 26587 1 111 . 1 1 30 30 LYS C C 13 180.042 0.000 . 1 . . . . 205 Lys C . 26587 1 112 . 1 1 30 30 LYS CA C 13 60.392 0.000 . 1 . . . . 205 Lys CA . 26587 1 113 . 1 1 30 30 LYS N N 15 117.676 0.000 . 1 . . . . 205 Lys N . 26587 1 114 . 1 1 31 31 LEU H H 1 7.858 0.006 . 1 . . . . 206 Leu H . 26587 1 115 . 1 1 31 31 LEU C C 13 178.169 0.000 . 1 . . . . 206 Leu C . 26587 1 116 . 1 1 31 31 LEU CA C 13 57.348 0.000 . 1 . . . . 206 Leu CA . 26587 1 117 . 1 1 31 31 LEU N N 15 121.860 0.062 . 1 . . . . 206 Leu N . 26587 1 118 . 1 1 32 32 VAL H H 1 8.045 0.026 . 1 . . . . 207 Val H . 26587 1 119 . 1 1 32 32 VAL C C 13 177.717 0.000 . 1 . . . . 207 Val C . 26587 1 120 . 1 1 32 32 VAL CA C 13 66.719 0.000 . 1 . . . . 207 Val CA . 26587 1 121 . 1 1 32 32 VAL N N 15 121.734 0.246 . 1 . . . . 207 Val N . 26587 1 122 . 1 1 33 33 LEU H H 1 7.718 0.011 . 1 . . . . 208 Leu H . 26587 1 123 . 1 1 33 33 LEU C C 13 177.731 0.000 . 1 . . . . 208 Leu C . 26587 1 124 . 1 1 33 33 LEU CA C 13 57.781 0.000 . 1 . . . . 208 Leu CA . 26587 1 125 . 1 1 33 33 LEU N N 15 117.495 0.136 . 1 . . . . 208 Leu N . 26587 1 126 . 1 1 34 34 LEU H H 1 8.094 0.016 . 1 . . . . 209 Leu H . 26587 1 127 . 1 1 34 34 LEU C C 13 179.691 0.000 . 1 . . . . 209 Leu C . 26587 1 128 . 1 1 34 34 LEU CA C 13 57.665 0.000 . 1 . . . . 209 Leu CA . 26587 1 129 . 1 1 34 34 LEU N N 15 119.907 0.190 . 1 . . . . 209 Leu N . 26587 1 130 . 1 1 35 35 ALA H H 1 7.574 0.014 . 1 . . . . 210 Ala H . 26587 1 131 . 1 1 35 35 ALA C C 13 178.957 0.000 . 1 . . . . 210 Ala C . 26587 1 132 . 1 1 35 35 ALA CA C 13 54.230 0.000 . 1 . . . . 210 Ala CA . 26587 1 133 . 1 1 35 35 ALA N N 15 118.595 0.112 . 1 . . . . 210 Ala N . 26587 1 134 . 1 1 36 36 LEU H H 1 7.298 0.007 . 1 . . . . 211 Leu H . 26587 1 135 . 1 1 36 36 LEU C C 13 180.644 0.000 . 1 . . . . 211 Leu C . 26587 1 136 . 1 1 36 36 LEU CA C 13 54.265 0.000 . 1 . . . . 211 Leu CA . 26587 1 137 . 1 1 36 36 LEU N N 15 111.065 0.140 . 1 . . . . 211 Leu N . 26587 1 138 . 1 1 37 37 GLU H H 1 9.509 0.006 . 1 . . . . 212 Glu H . 26587 1 139 . 1 1 37 37 GLU C C 13 175.134 0.000 . 1 . . . . 212 Glu C . 26587 1 140 . 1 1 37 37 GLU CA C 13 59.901 0.000 . 1 . . . . 212 Glu CA . 26587 1 141 . 1 1 37 37 GLU N N 15 124.523 0.075 . 1 . . . . 212 Glu N . 26587 1 142 . 1 1 38 38 ASP H H 1 8.242 0.011 . 1 . . . . 213 Asp H . 26587 1 143 . 1 1 38 38 ASP C C 13 177.742 0.000 . 1 . . . . 213 Asp C . 26587 1 144 . 1 1 38 38 ASP CA C 13 52.872 0.000 . 1 . . . . 213 Asp CA . 26587 1 145 . 1 1 38 38 ASP N N 15 117.387 0.269 . 1 . . . . 213 Asp N . 26587 1 146 . 1 1 39 39 GLY H H 1 8.009 0.007 . 1 . . . . 214 Gly H . 26587 1 147 . 1 1 39 39 GLY C C 13 175.191 0.000 . 1 . . . . 214 Gly C . 26587 1 148 . 1 1 39 39 GLY CA C 13 44.926 0.000 . 1 . . . . 214 Gly CA . 26587 1 149 . 1 1 39 39 GLY N N 15 106.723 0.085 . 1 . . . . 214 Gly N . 26587 1 150 . 1 1 40 40 SER H H 1 8.004 0.010 . 1 . . . . 215 Ser H . 26587 1 151 . 1 1 40 40 SER C C 13 175.561 0.000 . 1 . . . . 215 Ser C . 26587 1 152 . 1 1 40 40 SER CA C 13 60.874 0.000 . 1 . . . . 215 Ser CA . 26587 1 153 . 1 1 40 40 SER N N 15 118.380 0.097 . 1 . . . . 215 Ser N . 26587 1 154 . 1 1 41 41 ALA H H 1 8.204 0.016 . 1 . . . . 216 Ala H . 26587 1 155 . 1 1 41 41 ALA C C 13 175.867 0.000 . 1 . . . . 216 Ala C . 26587 1 156 . 1 1 41 41 ALA CA C 13 49.313 0.000 . 1 . . . . 216 Ala CA . 26587 1 157 . 1 1 41 41 ALA N N 15 124.442 0.114 . 1 . . . . 216 Ala N . 26587 1 158 . 1 1 42 42 LEU H H 1 8.234 0.020 . 1 . . . . 217 Leu H . 26587 1 159 . 1 1 42 42 LEU C C 13 176.909 0.000 . 1 . . . . 217 Leu C . 26587 1 160 . 1 1 42 42 LEU CA C 13 52.446 0.000 . 1 . . . . 217 Leu CA . 26587 1 161 . 1 1 42 42 LEU N N 15 121.577 0.102 . 1 . . . . 217 Leu N . 26587 1 162 . 1 1 43 43 SER H H 1 8.411 0.012 . 1 . . . . 218 Ser H . 26587 1 163 . 1 1 43 43 SER C C 13 174.078 0.000 . 1 . . . . 218 Ser C . 26587 1 164 . 1 1 43 43 SER CA C 13 56.539 0.000 . 1 . . . . 218 Ser CA . 26587 1 165 . 1 1 43 43 SER N N 15 117.732 0.063 . 1 . . . . 218 Ser N . 26587 1 166 . 1 1 44 44 ARG H H 1 9.091 0.000 . 1 . . . . 219 Arg H . 26587 1 167 . 1 1 44 44 ARG C C 13 178.645 0.000 . 1 . . . . 219 Arg C . 26587 1 168 . 1 1 44 44 ARG CA C 13 60.911 0.000 . 1 . . . . 219 Arg CA . 26587 1 169 . 1 1 44 44 ARG N N 15 122.947 0.000 . 1 . . . . 219 Arg N . 26587 1 170 . 1 1 45 45 LYS H H 1 8.708 0.021 . 1 . . . . 220 Lys H . 26587 1 171 . 1 1 45 45 LYS C C 13 178.940 0.000 . 1 . . . . 220 Lys C . 26587 1 172 . 1 1 45 45 LYS CA C 13 59.804 0.000 . 1 . . . . 220 Lys CA . 26587 1 173 . 1 1 45 45 LYS N N 15 116.905 0.266 . 1 . . . . 220 Lys N . 26587 1 174 . 1 1 46 46 VAL H H 1 7.287 0.024 . 1 . . . . 221 Val H . 26587 1 175 . 1 1 46 46 VAL C C 13 178.206 0.000 . 1 . . . . 221 Val C . 26587 1 176 . 1 1 46 46 VAL CA C 13 66.224 0.000 . 1 . . . . 221 Val CA . 26587 1 177 . 1 1 46 46 VAL N N 15 120.589 0.122 . 1 . . . . 221 Val N . 26587 1 178 . 1 1 47 47 LEU H H 1 8.535 0.000 . 1 . . . . 222 Leu H . 26587 1 179 . 1 1 47 47 LEU C C 13 177.509 0.000 . 1 . . . . 222 Leu C . 26587 1 180 . 1 1 47 47 LEU CA C 13 57.904 0.000 . 1 . . . . 222 Leu CA . 26587 1 181 . 1 1 47 47 LEU N N 15 123.017 0.000 . 1 . . . . 222 Leu N . 26587 1 182 . 1 1 48 48 VAL H H 1 8.687 0.005 . 1 . . . . 223 Val H . 26587 1 183 . 1 1 48 48 VAL C C 13 177.672 0.000 . 1 . . . . 223 Val C . 26587 1 184 . 1 1 48 48 VAL CA C 13 66.921 0.000 . 1 . . . . 223 Val CA . 26587 1 185 . 1 1 48 48 VAL N N 15 116.609 0.070 . 1 . . . . 223 Val N . 26587 1 186 . 1 1 49 49 LEU H H 1 7.682 0.000 . 1 . . . . 224 Leu H . 26587 1 187 . 1 1 49 49 LEU C C 13 177.800 0.000 . 1 . . . . 224 Leu C . 26587 1 188 . 1 1 49 49 LEU CA C 13 57.805 0.000 . 1 . . . . 224 Leu CA . 26587 1 189 . 1 1 49 49 LEU N N 15 119.478 0.000 . 1 . . . . 224 Leu N . 26587 1 190 . 1 1 50 50 PHE C C 13 177.856 0.000 . 1 . . . . 225 Phe C . 26587 1 191 . 1 1 50 50 PHE CA C 13 60.427 0.000 . 1 . . . . 225 Phe CA . 26587 1 192 . 1 1 51 51 VAL H H 1 7.835 0.008 . 1 . . . . 226 Val H . 26587 1 193 . 1 1 51 51 VAL C C 13 178.040 0.000 . 1 . . . . 226 Val C . 26587 1 194 . 1 1 51 51 VAL CA C 13 65.920 0.024 . 1 . . . . 226 Val CA . 26587 1 195 . 1 1 51 51 VAL N N 15 117.410 0.073 . 1 . . . . 226 Val N . 26587 1 196 . 1 1 52 52 VAL H H 1 9.005 0.000 . 1 . . . . 227 Val H . 26587 1 197 . 1 1 52 52 VAL C C 13 177.982 0.000 . 1 . . . . 227 Val C . 26587 1 198 . 1 1 52 52 VAL CA C 13 67.822 0.000 . 1 . . . . 227 Val CA . 26587 1 199 . 1 1 52 52 VAL N N 15 119.063 0.000 . 1 . . . . 227 Val N . 26587 1 200 . 1 1 53 53 GLN H H 1 8.317 0.007 . 1 . . . . 228 Gln H . 26587 1 201 . 1 1 53 53 GLN C C 13 178.752 0.000 . 1 . . . . 228 Gln C . 26587 1 202 . 1 1 53 53 GLN CA C 13 58.514 0.000 . 1 . . . . 228 Gln CA . 26587 1 203 . 1 1 53 53 GLN N N 15 114.915 0.076 . 1 . . . . 228 Gln N . 26587 1 204 . 1 1 54 54 ARG H H 1 6.873 0.025 . 1 . . . . 229 Arg H . 26587 1 205 . 1 1 54 54 ARG C C 13 177.211 0.000 . 1 . . . . 229 Arg C . 26587 1 206 . 1 1 54 54 ARG CA C 13 56.618 0.000 . 1 . . . . 229 Arg CA . 26587 1 207 . 1 1 54 54 ARG N N 15 115.047 0.065 . 1 . . . . 229 Arg N . 26587 1 208 . 1 1 55 55 LEU H H 1 8.263 0.010 . 1 . . . . 230 Leu H . 26587 1 209 . 1 1 55 55 LEU C C 13 177.244 0.000 . 1 . . . . 230 Leu C . 26587 1 210 . 1 1 55 55 LEU CA C 13 55.637 0.000 . 1 . . . . 230 Leu CA . 26587 1 211 . 1 1 55 55 LEU N N 15 121.638 0.203 . 1 . . . . 230 Leu N . 26587 1 212 . 1 1 56 56 GLU H H 1 8.039 0.020 . 1 . . . . 231 Glu H . 26587 1 213 . 1 1 56 56 GLU C C 13 177.862 0.000 . 1 . . . . 231 Glu C . 26587 1 214 . 1 1 56 56 GLU CA C 13 55.054 0.000 . 1 . . . . 231 Glu CA . 26587 1 215 . 1 1 56 56 GLU N N 15 119.644 0.216 . 1 . . . . 231 Glu N . 26587 1 216 . 1 1 57 57 PRO C C 13 177.703 0.000 . 1 . . . . 232 Pro C . 26587 1 217 . 1 1 57 57 PRO CA C 13 65.517 0.000 . 1 . . . . 232 Pro CA . 26587 1 218 . 1 1 58 58 ARG H H 1 7.192 0.013 . 1 . . . . 233 Arg H . 26587 1 219 . 1 1 58 58 ARG C C 13 175.471 0.000 . 1 . . . . 233 Arg C . 26587 1 220 . 1 1 58 58 ARG CA C 13 56.132 0.000 . 1 . . . . 233 Arg CA . 26587 1 221 . 1 1 58 58 ARG N N 15 112.805 0.099 . 1 . . . . 233 Arg N . 26587 1 222 . 1 1 59 59 PHE H H 1 8.219 0.015 . 1 . . . . 234 Phe H . 26587 1 223 . 1 1 59 59 PHE C C 13 172.725 0.000 . 1 . . . . 234 Phe C . 26587 1 224 . 1 1 59 59 PHE CA C 13 54.355 0.000 . 1 . . . . 234 Phe CA . 26587 1 225 . 1 1 59 59 PHE N N 15 117.549 0.267 . 1 . . . . 234 Phe N . 26587 1 226 . 1 1 60 60 PRO C C 13 178.103 0.000 . 1 . . . . 235 Pro C . 26587 1 227 . 1 1 60 60 PRO CA C 13 64.136 0.000 . 1 . . . . 235 Pro CA . 26587 1 228 . 1 1 61 61 GLN H H 1 8.965 0.005 . 1 . . . . 236 Gln H . 26587 1 229 . 1 1 61 61 GLN C C 13 176.804 0.000 . 1 . . . . 236 Gln C . 26587 1 230 . 1 1 61 61 GLN CA C 13 55.883 0.000 . 1 . . . . 236 Gln CA . 26587 1 231 . 1 1 61 61 GLN N N 15 115.633 0.219 . 1 . . . . 236 Gln N . 26587 1 232 . 1 1 62 62 ALA H H 1 8.170 0.006 . 1 . . . . 237 Ala H . 26587 1 233 . 1 1 62 62 ALA C C 13 174.460 0.000 . 1 . . . . 237 Ala C . 26587 1 234 . 1 1 62 62 ALA CA C 13 53.151 0.000 . 1 . . . . 237 Ala CA . 26587 1 235 . 1 1 62 62 ALA N N 15 125.178 0.105 . 1 . . . . 237 Ala N . 26587 1 236 . 1 1 63 63 SER H H 1 7.337 0.009 . 1 . . . . 238 Ser H . 26587 1 237 . 1 1 63 63 SER C C 13 173.939 0.000 . 1 . . . . 238 Ser C . 26587 1 238 . 1 1 63 63 SER CA C 13 54.949 0.000 . 1 . . . . 238 Ser CA . 26587 1 239 . 1 1 63 63 SER N N 15 114.268 0.078 . 1 . . . . 238 Ser N . 26587 1 240 . 1 1 64 64 LYS H H 1 8.953 0.003 . 1 . . . . 239 Lys H . 26587 1 241 . 1 1 64 64 LYS C C 13 180.145 0.000 . 1 . . . . 239 Lys C . 26587 1 242 . 1 1 64 64 LYS CA C 13 59.592 0.000 . 1 . . . . 239 Lys CA . 26587 1 243 . 1 1 64 64 LYS N N 15 121.644 0.066 . 1 . . . . 239 Lys N . 26587 1 244 . 1 1 65 65 THR H H 1 8.997 0.006 . 1 . . . . 240 Thr H . 26587 1 245 . 1 1 65 65 THR C C 13 177.513 0.000 . 1 . . . . 240 Thr C . 26587 1 246 . 1 1 65 65 THR CA C 13 67.028 0.000 . 1 . . . . 240 Thr CA . 26587 1 247 . 1 1 65 65 THR N N 15 119.434 0.283 . 1 . . . . 240 Thr N . 26587 1 248 . 1 1 66 66 SER H H 1 8.138 0.028 . 1 . . . . 241 Ser H . 26587 1 249 . 1 1 66 66 SER C C 13 178.610 0.000 . 1 . . . . 241 Ser C . 26587 1 250 . 1 1 66 66 SER CA C 13 61.162 0.000 . 1 . . . . 241 Ser CA . 26587 1 251 . 1 1 66 66 SER N N 15 119.261 0.256 . 1 . . . . 241 Ser N . 26587 1 252 . 1 1 67 67 ILE H H 1 8.241 0.019 . 1 . . . . 242 Ile H . 26587 1 253 . 1 1 67 67 ILE C C 13 179.472 0.000 . 1 . . . . 242 Ile C . 26587 1 254 . 1 1 67 67 ILE CA C 13 61.184 0.000 . 1 . . . . 242 Ile CA . 26587 1 255 . 1 1 67 67 ILE N N 15 120.343 0.053 . 1 . . . . 242 Ile N . 26587 1 256 . 1 1 68 68 GLY H H 1 8.493 0.011 . 1 . . . . 243 Gly H . 26587 1 257 . 1 1 68 68 GLY C C 13 177.077 0.000 . 1 . . . . 243 Gly C . 26587 1 258 . 1 1 68 68 GLY CA C 13 47.235 0.000 . 1 . . . . 243 Gly CA . 26587 1 259 . 1 1 68 68 GLY N N 15 110.821 0.127 . 1 . . . . 243 Gly N . 26587 1 260 . 1 1 69 69 HIS C C 13 177.256 0.000 . 1 . . . . 244 His C . 26587 1 261 . 1 1 69 69 HIS CA C 13 56.591 0.000 . 1 . . . . 244 His CA . 26587 1 262 . 1 1 70 70 VAL H H 1 7.705 0.021 . 1 . . . . 245 Val H . 26587 1 263 . 1 1 70 70 VAL C C 13 178.656 0.000 . 1 . . . . 245 Val C . 26587 1 264 . 1 1 70 70 VAL CA C 13 66.666 0.000 . 1 . . . . 245 Val CA . 26587 1 265 . 1 1 70 70 VAL N N 15 122.529 0.043 . 1 . . . . 245 Val N . 26587 1 266 . 1 1 71 71 VAL H H 1 8.339 0.022 . 1 . . . . 246 Val H . 26587 1 267 . 1 1 71 71 VAL C C 13 178.016 0.000 . 1 . . . . 246 Val C . 26587 1 268 . 1 1 71 71 VAL CA C 13 67.287 0.000 . 1 . . . . 246 Val CA . 26587 1 269 . 1 1 71 71 VAL N N 15 119.600 0.180 . 1 . . . . 246 Val N . 26587 1 270 . 1 1 72 72 GLN H H 1 8.118 0.007 . 1 . . . . 247 Gln H . 26587 1 271 . 1 1 72 72 GLN C C 13 178.082 0.000 . 1 . . . . 247 Gln C . 26587 1 272 . 1 1 72 72 GLN CA C 13 57.062 0.000 . 1 . . . . 247 Gln CA . 26587 1 273 . 1 1 72 72 GLN N N 15 119.248 0.059 . 1 . . . . 247 Gln N . 26587 1 274 . 1 1 73 73 LEU H H 1 7.565 0.007 . 1 . . . . 248 Leu H . 26587 1 275 . 1 1 73 73 LEU C C 13 178.419 0.000 . 1 . . . . 248 Leu C . 26587 1 276 . 1 1 73 73 LEU CA C 13 59.011 0.000 . 1 . . . . 248 Leu CA . 26587 1 277 . 1 1 73 73 LEU N N 15 121.759 0.319 . 1 . . . . 248 Leu N . 26587 1 278 . 1 1 74 74 LEU H H 1 7.191 0.005 . 1 . . . . 249 Leu H . 26587 1 279 . 1 1 74 74 LEU C C 13 177.550 0.000 . 1 . . . . 249 Leu C . 26587 1 280 . 1 1 74 74 LEU CA C 13 56.026 0.000 . 1 . . . . 249 Leu CA . 26587 1 281 . 1 1 74 74 LEU N N 15 115.520 0.085 . 1 . . . . 249 Leu N . 26587 1 282 . 1 1 75 75 TYR H H 1 8.508 0.024 . 1 . . . . 250 Tyr H . 26587 1 283 . 1 1 75 75 TYR C C 13 181.265 0.000 . 1 . . . . 250 Tyr C . 26587 1 284 . 1 1 75 75 TYR CA C 13 60.354 0.000 . 1 . . . . 250 Tyr CA . 26587 1 285 . 1 1 75 75 TYR N N 15 122.946 0.200 . 1 . . . . 250 Tyr N . 26587 1 286 . 1 1 76 76 ARG H H 1 9.103 0.015 . 1 . . . . 251 Arg H . 26587 1 287 . 1 1 76 76 ARG C C 13 177.855 0.000 . 1 . . . . 251 Arg C . 26587 1 288 . 1 1 76 76 ARG CA C 13 59.272 0.000 . 1 . . . . 251 Arg CA . 26587 1 289 . 1 1 76 76 ARG N N 15 122.877 0.211 . 1 . . . . 251 Arg N . 26587 1 290 . 1 1 77 77 ALA H H 1 7.234 0.006 . 1 . . . . 252 Ala H . 26587 1 291 . 1 1 77 77 ALA C C 13 175.744 0.000 . 1 . . . . 252 Ala C . 26587 1 292 . 1 1 77 77 ALA CA C 13 51.388 0.000 . 1 . . . . 252 Ala CA . 26587 1 293 . 1 1 77 77 ALA N N 15 116.986 0.155 . 1 . . . . 252 Ala N . 26587 1 294 . 1 1 78 78 SER H H 1 7.741 0.007 . 1 . . . . 253 Ser H . 26587 1 295 . 1 1 78 78 SER C C 13 175.711 0.000 . 1 . . . . 253 Ser C . 26587 1 296 . 1 1 78 78 SER CA C 13 58.338 0.000 . 1 . . . . 253 Ser CA . 26587 1 297 . 1 1 78 78 SER N N 15 115.115 0.152 . 1 . . . . 253 Ser N . 26587 1 298 . 1 1 79 79 CYS H H 1 7.650 0.000 . 1 . . . . 254 Cys H . 26587 1 299 . 1 1 79 79 CYS C C 13 174.251 0.000 . 1 . . . . 254 Cys C . 26587 1 300 . 1 1 79 79 CYS CA C 13 61.312 0.000 . 1 . . . . 254 Cys CA . 26587 1 301 . 1 1 79 79 CYS N N 15 112.671 0.000 . 1 . . . . 254 Cys N . 26587 1 302 . 1 1 80 80 PHE H H 1 8.508 0.002 . 1 . . . . 255 Phe H . 26587 1 303 . 1 1 80 80 PHE C C 13 176.306 0.000 . 1 . . . . 255 Phe C . 26587 1 304 . 1 1 80 80 PHE CA C 13 55.842 0.000 . 1 . . . . 255 Phe CA . 26587 1 305 . 1 1 80 80 PHE N N 15 113.669 0.111 . 1 . . . . 255 Phe N . 26587 1 306 . 1 1 81 81 LYS H H 1 9.396 0.006 . 1 . . . . 256 Lys H . 26587 1 307 . 1 1 81 81 LYS C C 13 176.382 0.000 . 1 . . . . 256 Lys C . 26587 1 308 . 1 1 81 81 LYS CA C 13 55.057 0.000 . 1 . . . . 256 Lys CA . 26587 1 309 . 1 1 81 81 LYS N N 15 121.830 0.063 . 1 . . . . 256 Lys N . 26587 1 310 . 1 1 82 82 VAL H H 1 8.978 0.004 . 1 . . . . 257 Val H . 26587 1 311 . 1 1 82 82 VAL C C 13 175.864 0.000 . 1 . . . . 257 Val C . 26587 1 312 . 1 1 82 82 VAL CA C 13 61.856 0.000 . 1 . . . . 257 Val CA . 26587 1 313 . 1 1 82 82 VAL N N 15 130.717 0.101 . 1 . . . . 257 Val N . 26587 1 314 . 1 1 83 83 THR H H 1 9.102 0.017 . 1 . . . . 258 Thr H . 26587 1 315 . 1 1 83 83 THR C C 13 173.822 0.000 . 1 . . . . 258 Thr C . 26587 1 316 . 1 1 83 83 THR CA C 13 61.314 0.000 . 1 . . . . 258 Thr CA . 26587 1 317 . 1 1 83 83 THR N N 15 125.467 0.117 . 1 . . . . 258 Thr N . 26587 1 318 . 1 1 84 84 LYS H H 1 8.636 0.021 . 1 . . . . 259 Lys H . 26587 1 319 . 1 1 84 84 LYS C C 13 176.100 0.000 . 1 . . . . 259 Lys C . 26587 1 320 . 1 1 84 84 LYS CA C 13 56.097 0.000 . 1 . . . . 259 Lys CA . 26587 1 321 . 1 1 84 84 LYS N N 15 127.103 0.172 . 1 . . . . 259 Lys N . 26587 1 322 . 1 1 85 85 ARG H H 1 8.735 0.000 . 1 . . . . 260 Arg H . 26587 1 323 . 1 1 85 85 ARG C C 13 175.294 0.000 . 1 . . . . 260 Arg C . 26587 1 324 . 1 1 85 85 ARG CA C 13 54.809 0.000 . 1 . . . . 260 Arg CA . 26587 1 325 . 1 1 85 85 ARG N N 15 121.007 0.000 . 1 . . . . 260 Arg N . 26587 1 326 . 1 1 86 86 ASP H H 1 8.288 0.042 . 1 . . . . 261 Asp H . 26587 1 327 . 1 1 86 86 ASP C C 13 176.606 0.000 . 1 . . . . 261 Asp C . 26587 1 328 . 1 1 86 86 ASP CA C 13 55.751 0.000 . 1 . . . . 261 Asp CA . 26587 1 329 . 1 1 86 86 ASP N N 15 120.532 0.438 . 1 . . . . 261 Asp N . 26587 1 330 . 1 1 87 87 GLU H H 1 8.715 0.000 . 1 . . . . 262 Glu H . 26587 1 331 . 1 1 87 87 GLU C C 13 174.801 0.000 . 1 . . . . 262 Glu C . 26587 1 332 . 1 1 87 87 GLU CA C 13 56.189 0.000 . 1 . . . . 262 Glu CA . 26587 1 333 . 1 1 87 87 GLU N N 15 117.946 0.000 . 1 . . . . 262 Glu N . 26587 1 334 . 1 1 88 88 ASP H H 1 7.537 0.021 . 1 . . . . 263 Asp H . 26587 1 335 . 1 1 88 88 ASP C C 13 175.201 0.000 . 1 . . . . 263 Asp C . 26587 1 336 . 1 1 88 88 ASP CA C 13 51.971 0.000 . 1 . . . . 263 Asp CA . 26587 1 337 . 1 1 88 88 ASP N N 15 117.416 0.153 . 1 . . . . 263 Asp N . 26587 1 338 . 1 1 89 89 SER H H 1 9.208 0.005 . 1 . . . . 264 Ser H . 26587 1 339 . 1 1 89 89 SER C C 13 175.050 0.000 . 1 . . . . 264 Ser C . 26587 1 340 . 1 1 89 89 SER CA C 13 57.782 0.000 . 1 . . . . 264 Ser CA . 26587 1 341 . 1 1 89 89 SER N N 15 115.829 0.117 . 1 . . . . 264 Ser N . 26587 1 342 . 1 1 90 90 SER H H 1 7.610 0.017 . 1 . . . . 265 Ser H . 26587 1 343 . 1 1 90 90 SER C C 13 175.724 0.000 . 1 . . . . 265 Ser C . 26587 1 344 . 1 1 90 90 SER CA C 13 58.422 0.000 . 1 . . . . 265 Ser CA . 26587 1 345 . 1 1 90 90 SER N N 15 119.690 0.123 . 1 . . . . 265 Ser N . 26587 1 346 . 1 1 91 91 LEU H H 1 8.453 0.013 . 1 . . . . 266 Leu H . 26587 1 347 . 1 1 91 91 LEU C C 13 175.879 0.000 . 1 . . . . 266 Leu C . 26587 1 348 . 1 1 91 91 LEU CA C 13 52.653 0.000 . 1 . . . . 266 Leu CA . 26587 1 349 . 1 1 91 91 LEU N N 15 119.112 0.148 . 1 . . . . 266 Leu N . 26587 1 350 . 1 1 92 92 MET H H 1 8.638 0.016 . 1 . . . . 267 Met H . 26587 1 351 . 1 1 92 92 MET C C 13 173.738 0.000 . 1 . . . . 267 Met C . 26587 1 352 . 1 1 92 92 MET CA C 13 54.585 0.000 . 1 . . . . 267 Met CA . 26587 1 353 . 1 1 92 92 MET N N 15 118.093 0.199 . 1 . . . . 267 Met N . 26587 1 354 . 1 1 93 93 GLN H H 1 8.260 0.013 . 1 . . . . 268 Gln H . 26587 1 355 . 1 1 93 93 GLN C C 13 177.441 0.000 . 1 . . . . 268 Gln C . 26587 1 356 . 1 1 93 93 GLN CA C 13 52.747 0.000 . 1 . . . . 268 Gln CA . 26587 1 357 . 1 1 93 93 GLN N N 15 118.422 0.181 . 1 . . . . 268 Gln N . 26587 1 358 . 1 1 94 94 LEU H H 1 9.753 0.019 . 1 . . . . 269 Leu H . 26587 1 359 . 1 1 94 94 LEU C C 13 178.005 0.000 . 1 . . . . 269 Leu C . 26587 1 360 . 1 1 94 94 LEU CA C 13 54.973 0.000 . 1 . . . . 269 Leu CA . 26587 1 361 . 1 1 94 94 LEU N N 15 126.278 0.067 . 1 . . . . 269 Leu N . 26587 1 362 . 1 1 95 95 LYS H H 1 8.622 0.000 . 1 . . . . 270 Lys H . 26587 1 363 . 1 1 95 95 LYS C C 13 177.769 0.000 . 1 . . . . 270 Lys C . 26587 1 364 . 1 1 95 95 LYS CA C 13 58.178 0.000 . 1 . . . . 270 Lys CA . 26587 1 365 . 1 1 95 95 LYS N N 15 126.905 0.000 . 1 . . . . 270 Lys N . 26587 1 366 . 1 1 96 96 GLU H H 1 9.195 0.014 . 1 . . . . 271 Glu H . 26587 1 367 . 1 1 96 96 GLU C C 13 177.923 0.000 . 1 . . . . 271 Glu C . 26587 1 368 . 1 1 96 96 GLU CA C 13 60.961 0.000 . 1 . . . . 271 Glu CA . 26587 1 369 . 1 1 96 96 GLU N N 15 122.660 0.138 . 1 . . . . 271 Glu N . 26587 1 370 . 1 1 97 97 GLU H H 1 9.691 0.005 . 1 . . . . 272 Glu H . 26587 1 371 . 1 1 97 97 GLU C C 13 176.820 0.000 . 1 . . . . 272 Glu C . 26587 1 372 . 1 1 97 97 GLU CA C 13 57.611 0.000 . 1 . . . . 272 Glu CA . 26587 1 373 . 1 1 97 97 GLU N N 15 116.391 0.096 . 1 . . . . 272 Glu N . 26587 1 374 . 1 1 98 98 PHE H H 1 7.813 0.023 . 1 . . . . 273 Phe H . 26587 1 375 . 1 1 98 98 PHE C C 13 173.873 0.000 . 1 . . . . 273 Phe C . 26587 1 376 . 1 1 98 98 PHE CA C 13 54.751 0.000 . 1 . . . . 273 Phe CA . 26587 1 377 . 1 1 98 98 PHE N N 15 118.886 0.156 . 1 . . . . 273 Phe N . 26587 1 378 . 1 1 99 99 ARG H H 1 6.970 0.011 . 1 . . . . 274 Arg H . 26587 1 379 . 1 1 99 99 ARG C C 13 175.191 0.000 . 1 . . . . 274 Arg C . 26587 1 380 . 1 1 99 99 ARG CA C 13 56.435 0.000 . 1 . . . . 274 Arg CA . 26587 1 381 . 1 1 99 99 ARG N N 15 114.616 0.143 . 1 . . . . 274 Arg N . 26587 1 382 . 1 1 100 100 THR H H 1 7.311 0.007 . 1 . . . . 275 Thr H . 26587 1 383 . 1 1 100 100 THR C C 13 174.111 0.000 . 1 . . . . 275 Thr C . 26587 1 384 . 1 1 100 100 THR CA C 13 59.342 0.000 . 1 . . . . 275 Thr CA . 26587 1 385 . 1 1 100 100 THR N N 15 107.720 0.119 . 1 . . . . 275 Thr N . 26587 1 386 . 1 1 101 101 TYR H H 1 9.407 0.006 . 1 . . . . 276 Tyr H . 26587 1 387 . 1 1 101 101 TYR C C 13 176.280 0.000 . 1 . . . . 276 Tyr C . 26587 1 388 . 1 1 101 101 TYR CA C 13 62.566 0.000 . 1 . . . . 276 Tyr CA . 26587 1 389 . 1 1 101 101 TYR N N 15 123.917 0.075 . 1 . . . . 276 Tyr N . 26587 1 390 . 1 1 102 102 GLU H H 1 9.137 0.020 . 1 . . . . 277 Glu H . 26587 1 391 . 1 1 102 102 GLU C C 13 179.219 0.000 . 1 . . . . 277 Glu C . 26587 1 392 . 1 1 102 102 GLU CA C 13 60.244 0.000 . 1 . . . . 277 Glu CA . 26587 1 393 . 1 1 102 102 GLU N N 15 116.744 0.028 . 1 . . . . 277 Glu N . 26587 1 394 . 1 1 103 103 ALA H H 1 7.281 0.007 . 1 . . . . 278 Ala H . 26587 1 395 . 1 1 103 103 ALA C C 13 180.172 0.000 . 1 . . . . 278 Ala C . 26587 1 396 . 1 1 103 103 ALA CA C 13 54.561 0.000 . 1 . . . . 278 Ala CA . 26587 1 397 . 1 1 103 103 ALA N N 15 119.778 0.069 . 1 . . . . 278 Ala N . 26587 1 398 . 1 1 104 104 LEU H H 1 8.207 0.019 . 1 . . . . 279 Leu H . 26587 1 399 . 1 1 104 104 LEU C C 13 178.801 0.000 . 1 . . . . 279 Leu C . 26587 1 400 . 1 1 104 104 LEU CA C 13 57.959 0.000 . 1 . . . . 279 Leu CA . 26587 1 401 . 1 1 104 104 LEU N N 15 120.525 0.174 . 1 . . . . 279 Leu N . 26587 1 402 . 1 1 105 105 ARG H H 1 9.112 0.023 . 1 . . . . 280 Arg H . 26587 1 403 . 1 1 105 105 ARG C C 13 177.911 0.000 . 1 . . . . 280 Arg C . 26587 1 404 . 1 1 105 105 ARG CA C 13 56.085 0.000 . 1 . . . . 280 Arg CA . 26587 1 405 . 1 1 105 105 ARG N N 15 116.828 0.077 . 1 . . . . 280 Arg N . 26587 1 406 . 1 1 106 106 ARG H H 1 7.567 0.000 . 1 . . . . 281 Arg H . 26587 1 407 . 1 1 106 106 ARG C C 13 178.078 0.000 . 1 . . . . 281 Arg C . 26587 1 408 . 1 1 106 106 ARG CA C 13 60.246 0.000 . 1 . . . . 281 Arg CA . 26587 1 409 . 1 1 106 106 ARG N N 15 119.163 0.000 . 1 . . . . 281 Arg N . 26587 1 410 . 1 1 107 107 GLU H H 1 7.307 0.001 . 1 . . . . 282 Glu H . 26587 1 411 . 1 1 107 107 GLU C C 13 179.261 0.000 . 1 . . . . 282 Glu C . 26587 1 412 . 1 1 107 107 GLU CA C 13 58.446 0.000 . 1 . . . . 282 Glu CA . 26587 1 413 . 1 1 107 107 GLU N N 15 118.727 0.007 . 1 . . . . 282 Glu N . 26587 1 414 . 1 1 108 108 HIS H H 1 7.994 0.009 . 1 . . . . 283 His H . 26587 1 415 . 1 1 108 108 HIS C C 13 175.561 0.000 . 1 . . . . 283 His C . 26587 1 416 . 1 1 108 108 HIS CA C 13 59.653 0.000 . 1 . . . . 283 His CA . 26587 1 417 . 1 1 108 108 HIS N N 15 118.505 0.073 . 1 . . . . 283 His N . 26587 1 418 . 1 1 109 109 ASP H H 1 8.989 0.006 . 1 . . . . 284 Asp H . 26587 1 419 . 1 1 109 109 ASP C C 13 177.618 0.000 . 1 . . . . 284 Asp C . 26587 1 420 . 1 1 109 109 ASP CA C 13 56.908 0.000 . 1 . . . . 284 Asp CA . 26587 1 421 . 1 1 109 109 ASP N N 15 119.306 0.088 . 1 . . . . 284 Asp N . 26587 1 422 . 1 1 110 110 SER H H 1 8.172 0.007 . 1 . . . . 285 Ser H . 26587 1 423 . 1 1 110 110 SER C C 13 177.469 0.000 . 1 . . . . 285 Ser C . 26587 1 424 . 1 1 110 110 SER CA C 13 60.861 0.000 . 1 . . . . 285 Ser CA . 26587 1 425 . 1 1 110 110 SER N N 15 112.672 0.078 . 1 . . . . 285 Ser N . 26587 1 426 . 1 1 111 111 GLN H H 1 7.683 0.020 . 1 . . . . 286 Gln H . 26587 1 427 . 1 1 111 111 GLN C C 13 177.382 0.000 . 1 . . . . 286 Gln C . 26587 1 428 . 1 1 111 111 GLN CA C 13 57.499 0.000 . 1 . . . . 286 Gln CA . 26587 1 429 . 1 1 111 111 GLN N N 15 119.563 0.185 . 1 . . . . 286 Gln N . 26587 1 430 . 1 1 112 112 ILE H H 1 7.252 0.031 . 1 . . . . 287 Ile H . 26587 1 431 . 1 1 112 112 ILE C C 13 176.992 0.000 . 1 . . . . 287 Ile C . 26587 1 432 . 1 1 112 112 ILE CA C 13 66.203 0.000 . 1 . . . . 287 Ile CA . 26587 1 433 . 1 1 112 112 ILE N N 15 118.146 0.180 . 1 . . . . 287 Ile N . 26587 1 434 . 1 1 113 113 VAL H H 1 7.562 0.020 . 1 . . . . 288 Val H . 26587 1 435 . 1 1 113 113 VAL C C 13 178.156 0.000 . 1 . . . . 288 Val C . 26587 1 436 . 1 1 113 113 VAL CA C 13 66.767 0.000 . 1 . . . . 288 Val CA . 26587 1 437 . 1 1 113 113 VAL N N 15 118.913 0.283 . 1 . . . . 288 Val N . 26587 1 438 . 1 1 114 114 GLN H H 1 8.482 0.008 . 1 . . . . 289 Gln H . 26587 1 439 . 1 1 114 114 GLN C C 13 179.231 0.000 . 1 . . . . 289 Gln C . 26587 1 440 . 1 1 114 114 GLN CA C 13 59.798 0.000 . 1 . . . . 289 Gln CA . 26587 1 441 . 1 1 114 114 GLN N N 15 120.327 0.184 . 1 . . . . 289 Gln N . 26587 1 442 . 1 1 115 115 ILE H H 1 8.219 0.005 . 1 . . . . 290 Ile H . 26587 1 443 . 1 1 115 115 ILE C C 13 178.805 0.000 . 1 . . . . 290 Ile C . 26587 1 444 . 1 1 115 115 ILE CA C 13 65.444 0.000 . 1 . . . . 290 Ile CA . 26587 1 445 . 1 1 115 115 ILE N N 15 120.985 0.084 . 1 . . . . 290 Ile N . 26587 1 446 . 1 1 116 116 ALA H H 1 8.254 0.005 . 1 . . . . 291 Ala H . 26587 1 447 . 1 1 116 116 ALA C C 13 179.524 0.000 . 1 . . . . 291 Ala C . 26587 1 448 . 1 1 116 116 ALA CA C 13 55.432 0.000 . 1 . . . . 291 Ala CA . 26587 1 449 . 1 1 116 116 ALA N N 15 122.327 0.086 . 1 . . . . 291 Ala N . 26587 1 450 . 1 1 117 117 MET H H 1 8.934 0.006 . 1 . . . . 292 Met H . 26587 1 451 . 1 1 117 117 MET C C 13 181.391 0.000 . 1 . . . . 292 Met C . 26587 1 452 . 1 1 117 117 MET CA C 13 59.023 0.000 . 1 . . . . 292 Met CA . 26587 1 453 . 1 1 117 117 MET N N 15 117.812 0.094 . 1 . . . . 292 Met N . 26587 1 454 . 1 1 118 118 GLU H H 1 8.504 0.015 . 1 . . . . 293 Glu H . 26587 1 455 . 1 1 118 118 GLU C C 13 177.771 0.000 . 1 . . . . 293 Glu C . 26587 1 456 . 1 1 118 118 GLU CA C 13 58.933 0.000 . 1 . . . . 293 Glu CA . 26587 1 457 . 1 1 118 118 GLU N N 15 122.169 0.102 . 1 . . . . 293 Glu N . 26587 1 458 . 1 1 119 119 ALA H H 1 7.573 0.016 . 1 . . . . 294 Ala H . 26587 1 459 . 1 1 119 119 ALA C C 13 177.129 0.000 . 1 . . . . 294 Ala C . 26587 1 460 . 1 1 119 119 ALA CA C 13 51.551 0.000 . 1 . . . . 294 Ala CA . 26587 1 461 . 1 1 119 119 ALA N N 15 119.939 0.163 . 1 . . . . 294 Ala N . 26587 1 462 . 1 1 120 120 GLY H H 1 7.783 0.007 . 1 . . . . 295 Gly H . 26587 1 463 . 1 1 120 120 GLY C C 13 174.428 0.000 . 1 . . . . 295 Gly C . 26587 1 464 . 1 1 120 120 GLY CA C 13 45.273 0.000 . 1 . . . . 295 Gly CA . 26587 1 465 . 1 1 120 120 GLY N N 15 106.864 0.086 . 1 . . . . 295 Gly N . 26587 1 466 . 1 1 121 121 LEU H H 1 8.139 0.032 . 1 . . . . 296 Leu H . 26587 1 467 . 1 1 121 121 LEU C C 13 176.134 0.000 . 1 . . . . 296 Leu C . 26587 1 468 . 1 1 121 121 LEU CA C 13 53.904 0.000 . 1 . . . . 296 Leu CA . 26587 1 469 . 1 1 121 121 LEU N N 15 120.445 0.218 . 1 . . . . 296 Leu N . 26587 1 470 . 1 1 122 122 ARG H H 1 8.457 0.010 . 1 . . . . 297 Arg H . 26587 1 471 . 1 1 122 122 ARG C C 13 174.141 0.000 . 1 . . . . 297 Arg C . 26587 1 472 . 1 1 122 122 ARG CA C 13 54.653 0.000 . 1 . . . . 297 Arg CA . 26587 1 473 . 1 1 122 122 ARG N N 15 125.892 0.185 . 1 . . . . 297 Arg N . 26587 1 474 . 1 1 123 123 ILE H H 1 8.450 0.012 . 1 . . . . 298 Ile H . 26587 1 475 . 1 1 123 123 ILE C C 13 174.915 0.000 . 1 . . . . 298 Ile C . 26587 1 476 . 1 1 123 123 ILE CA C 13 60.492 0.000 . 1 . . . . 298 Ile CA . 26587 1 477 . 1 1 123 123 ILE N N 15 126.994 0.175 . 1 . . . . 298 Ile N . 26587 1 478 . 1 1 124 124 ALA H H 1 8.565 0.005 . 1 . . . . 299 Ala H . 26587 1 479 . 1 1 124 124 ALA C C 13 177.323 0.000 . 1 . . . . 299 Ala C . 26587 1 480 . 1 1 124 124 ALA CA C 13 50.901 0.000 . 1 . . . . 299 Ala CA . 26587 1 481 . 1 1 124 124 ALA N N 15 130.657 0.059 . 1 . . . . 299 Ala N . 26587 1 482 . 1 1 125 125 PRO C C 13 177.354 0.000 . 1 . . . . 300 Pro C . 26587 1 483 . 1 1 125 125 PRO CA C 13 66.777 0.000 . 1 . . . . 300 Pro CA . 26587 1 484 . 1 1 126 126 ASP H H 1 8.934 0.013 . 1 . . . . 301 Asp H . 26587 1 485 . 1 1 126 126 ASP C C 13 178.106 0.000 . 1 . . . . 301 Asp C . 26587 1 486 . 1 1 126 126 ASP CA C 13 56.665 0.000 . 1 . . . . 301 Asp CA . 26587 1 487 . 1 1 126 126 ASP N N 15 115.348 0.173 . 1 . . . . 301 Asp N . 26587 1 488 . 1 1 127 127 GLN H H 1 7.350 0.008 . 1 . . . . 302 Gln H . 26587 1 489 . 1 1 127 127 GLN C C 13 178.691 0.000 . 1 . . . . 302 Gln C . 26587 1 490 . 1 1 127 127 GLN CA C 13 57.878 0.000 . 1 . . . . 302 Gln CA . 26587 1 491 . 1 1 127 127 GLN N N 15 122.922 0.062 . 1 . . . . 302 Gln N . 26587 1 492 . 1 1 128 128 TRP H H 1 8.707 0.023 . 1 . . . . 303 Trp H . 26587 1 493 . 1 1 128 128 TRP HE1 H 1 9.522 0.002 . 1 . . . . 303 Trp HE1 . 26587 1 494 . 1 1 128 128 TRP C C 13 178.624 0.000 . 1 . . . . 303 Trp C . 26587 1 495 . 1 1 128 128 TRP CA C 13 60.187 0.000 . 1 . . . . 303 Trp CA . 26587 1 496 . 1 1 128 128 TRP N N 15 118.954 0.152 . 1 . . . . 303 Trp N . 26587 1 497 . 1 1 128 128 TRP NE1 N 15 129.505 0.013 . 1 . . . . 303 Trp NE1 . 26587 1 498 . 1 1 129 129 SER H H 1 8.061 0.007 . 1 . . . . 304 Ser H . 26587 1 499 . 1 1 129 129 SER C C 13 178.631 0.000 . 1 . . . . 304 Ser C . 26587 1 500 . 1 1 129 129 SER CA C 13 62.456 0.000 . 1 . . . . 304 Ser CA . 26587 1 501 . 1 1 129 129 SER N N 15 110.711 0.067 . 1 . . . . 304 Ser N . 26587 1 502 . 1 1 130 130 SER H H 1 7.736 0.021 . 1 . . . . 305 Ser H . 26587 1 503 . 1 1 130 130 SER C C 13 177.738 0.000 . 1 . . . . 305 Ser C . 26587 1 504 . 1 1 130 130 SER CA C 13 62.558 0.000 . 1 . . . . 305 Ser CA . 26587 1 505 . 1 1 130 130 SER N N 15 115.346 0.330 . 1 . . . . 305 Ser N . 26587 1 506 . 1 1 131 131 LEU H H 1 8.632 0.021 . 1 . . . . 306 Leu H . 26587 1 507 . 1 1 131 131 LEU C C 13 178.194 0.000 . 1 . . . . 306 Leu C . 26587 1 508 . 1 1 131 131 LEU CA C 13 57.728 0.000 . 1 . . . . 306 Leu CA . 26587 1 509 . 1 1 131 131 LEU N N 15 121.162 0.145 . 1 . . . . 306 Leu N . 26587 1 510 . 1 1 132 132 LEU H H 1 8.345 0.008 . 1 . . . . 307 Leu H . 26587 1 511 . 1 1 132 132 LEU C C 13 177.298 0.000 . 1 . . . . 307 Leu C . 26587 1 512 . 1 1 132 132 LEU CA C 13 55.032 0.000 . 1 . . . . 307 Leu CA . 26587 1 513 . 1 1 132 132 LEU N N 15 111.290 0.095 . 1 . . . . 307 Leu N . 26587 1 514 . 1 1 133 133 TYR H H 1 8.318 0.021 . 1 . . . . 308 Tyr H . 26587 1 515 . 1 1 133 133 TYR C C 13 176.760 0.000 . 1 . . . . 308 Tyr C . 26587 1 516 . 1 1 133 133 TYR CA C 13 59.091 0.000 . 1 . . . . 308 Tyr CA . 26587 1 517 . 1 1 133 133 TYR N N 15 112.637 0.100 . 1 . . . . 308 Tyr N . 26587 1 518 . 1 1 134 134 GLY H H 1 8.107 0.026 . 1 . . . . 309 Gly H . 26587 1 519 . 1 1 134 134 GLY C C 13 172.957 0.000 . 1 . . . . 309 Gly C . 26587 1 520 . 1 1 134 134 GLY CA C 13 45.826 0.000 . 1 . . . . 309 Gly CA . 26587 1 521 . 1 1 134 134 GLY N N 15 109.380 0.048 . 1 . . . . 309 Gly N . 26587 1 522 . 1 1 135 135 ASP H H 1 7.578 0.009 . 1 . . . . 310 Asp H . 26587 1 523 . 1 1 135 135 ASP C C 13 176.877 0.000 . 1 . . . . 310 Asp C . 26587 1 524 . 1 1 135 135 ASP CA C 13 52.611 0.000 . 1 . . . . 310 Asp CA . 26587 1 525 . 1 1 135 135 ASP N N 15 115.928 0.090 . 1 . . . . 310 Asp N . 26587 1 526 . 1 1 137 137 SER H H 1 8.589 0.000 . 1 . . . . 312 Ser H . 26587 1 527 . 1 1 137 137 SER CA C 13 59.366 0.000 . 1 . . . . 312 Ser CA . 26587 1 528 . 1 1 137 137 SER N N 15 116.470 0.000 . 1 . . . . 312 Ser N . 26587 1 529 . 1 1 138 138 HIS H H 1 7.631 0.004 . 1 . . . . 313 His H . 26587 1 530 . 1 1 138 138 HIS C C 13 174.903 0.000 . 1 . . . . 313 His C . 26587 1 531 . 1 1 138 138 HIS CA C 13 55.636 0.000 . 1 . . . . 313 His CA . 26587 1 532 . 1 1 138 138 HIS N N 15 117.760 0.061 . 1 . . . . 313 His N . 26587 1 533 . 1 1 139 139 LYS H H 1 7.578 0.005 . 1 . . . . 314 Lys H . 26587 1 534 . 1 1 139 139 LYS C C 13 177.790 0.000 . 1 . . . . 314 Lys C . 26587 1 535 . 1 1 139 139 LYS CA C 13 61.100 0.000 . 1 . . . . 314 Lys CA . 26587 1 536 . 1 1 139 139 LYS N N 15 122.225 0.050 . 1 . . . . 314 Lys N . 26587 1 537 . 1 1 140 140 SER H H 1 7.569 0.000 . 1 . . . . 315 Ser H . 26587 1 538 . 1 1 140 140 SER C C 13 176.978 0.000 . 1 . . . . 315 Ser C . 26587 1 539 . 1 1 140 140 SER CA C 13 60.229 0.000 . 1 . . . . 315 Ser CA . 26587 1 540 . 1 1 140 140 SER N N 15 119.341 0.000 . 1 . . . . 315 Ser N . 26587 1 541 . 1 1 141 141 HIS H H 1 7.946 0.008 . 1 . . . . 316 His H . 26587 1 542 . 1 1 141 141 HIS C C 13 177.768 0.000 . 1 . . . . 316 His C . 26587 1 543 . 1 1 141 141 HIS CA C 13 59.365 0.033 . 1 . . . . 316 His CA . 26587 1 544 . 1 1 141 141 HIS N N 15 123.618 0.123 . 1 . . . . 316 His N . 26587 1 545 . 1 1 142 142 MET H H 1 8.014 0.008 . 1 . . . . 317 Met H . 26587 1 546 . 1 1 142 142 MET C C 13 178.774 0.000 . 1 . . . . 317 Met C . 26587 1 547 . 1 1 142 142 MET CA C 13 55.158 0.000 . 1 . . . . 317 Met CA . 26587 1 548 . 1 1 142 142 MET N N 15 115.159 0.103 . 1 . . . . 317 Met N . 26587 1 549 . 1 1 143 143 GLN H H 1 8.727 0.006 . 1 . . . . 318 Gln H . 26587 1 550 . 1 1 143 143 GLN C C 13 177.194 0.000 . 1 . . . . 318 Gln C . 26587 1 551 . 1 1 143 143 GLN CA C 13 58.502 0.000 . 1 . . . . 318 Gln CA . 26587 1 552 . 1 1 143 143 GLN N N 15 120.953 0.137 . 1 . . . . 318 Gln N . 26587 1 553 . 1 1 144 144 SER H H 1 7.960 0.007 . 1 . . . . 319 Ser H . 26587 1 554 . 1 1 144 144 SER C C 13 177.220 0.000 . 1 . . . . 319 Ser C . 26587 1 555 . 1 1 144 144 SER CA C 13 61.239 0.000 . 1 . . . . 319 Ser CA . 26587 1 556 . 1 1 144 144 SER N N 15 113.938 0.094 . 1 . . . . 319 Ser N . 26587 1 557 . 1 1 145 145 ILE H H 1 7.118 0.004 . 1 . . . . 320 Ile H . 26587 1 558 . 1 1 145 145 ILE C C 13 177.836 0.000 . 1 . . . . 320 Ile C . 26587 1 559 . 1 1 145 145 ILE CA C 13 64.121 0.000 . 1 . . . . 320 Ile CA . 26587 1 560 . 1 1 145 145 ILE N N 15 122.480 0.075 . 1 . . . . 320 Ile N . 26587 1 561 . 1 1 146 146 ILE H H 1 7.981 0.018 . 1 . . . . 321 Ile H . 26587 1 562 . 1 1 146 146 ILE C C 13 178.429 0.000 . 1 . . . . 321 Ile C . 26587 1 563 . 1 1 146 146 ILE CA C 13 65.456 0.000 . 1 . . . . 321 Ile CA . 26587 1 564 . 1 1 146 146 ILE N N 15 120.767 0.206 . 1 . . . . 321 Ile N . 26587 1 565 . 1 1 147 147 ASP H H 1 8.606 0.011 . 1 . . . . 322 Asp H . 26587 1 566 . 1 1 147 147 ASP C C 13 178.902 0.000 . 1 . . . . 322 Asp C . 26587 1 567 . 1 1 147 147 ASP CA C 13 56.831 0.000 . 1 . . . . 322 Asp CA . 26587 1 568 . 1 1 147 147 ASP N N 15 118.907 0.090 . 1 . . . . 322 Asp N . 26587 1 569 . 1 1 148 148 LYS H H 1 7.275 0.022 . 1 . . . . 323 Lys H . 26587 1 570 . 1 1 148 148 LYS C C 13 178.018 0.000 . 1 . . . . 323 Lys C . 26587 1 571 . 1 1 148 148 LYS CA C 13 57.551 0.000 . 1 . . . . 323 Lys CA . 26587 1 572 . 1 1 148 148 LYS N N 15 118.613 0.199 . 1 . . . . 323 Lys N . 26587 1 573 . 1 1 149 149 LEU H H 1 7.459 0.012 . 1 . . . . 324 Leu H . 26587 1 574 . 1 1 149 149 LEU C C 13 177.462 0.000 . 1 . . . . 324 Leu C . 26587 1 575 . 1 1 149 149 LEU CA C 13 55.288 0.000 . 1 . . . . 324 Leu CA . 26587 1 576 . 1 1 149 149 LEU N N 15 118.654 0.071 . 1 . . . . 324 Leu N . 26587 1 577 . 1 1 150 150 GLN H H 1 7.702 0.012 . 1 . . . . 325 Gln H . 26587 1 578 . 1 1 150 150 GLN C C 13 175.216 0.000 . 1 . . . . 325 Gln C . 26587 1 579 . 1 1 150 150 GLN CA C 13 55.619 0.000 . 1 . . . . 325 Gln CA . 26587 1 580 . 1 1 150 150 GLN N N 15 118.487 0.188 . 1 . . . . 325 Gln N . 26587 1 581 . 1 1 151 151 THR H H 1 7.569 0.016 . 1 . . . . 326 Thr H . 26587 1 582 . 1 1 151 151 THR C C 13 179.348 0.000 . 1 . . . . 326 Thr C . 26587 1 583 . 1 1 151 151 THR CA C 13 63.250 0.000 . 1 . . . . 326 Thr CA . 26587 1 584 . 1 1 151 151 THR N N 15 120.430 0.140 . 1 . . . . 326 Thr N . 26587 1 stop_ save_