data_17177 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17177 _Entry.Title ; Partial backbone 1H,15N chemical shift of arrestin-1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-09-10 _Entry.Accession_date 2010-09-10 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Tiandi Zhuang . . . 17177 2 Sergey Vishnivetskiy . . . 17177 3 Vsevolod Gurevich . . . 17177 4 Charles Sanders . . . 17177 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17177 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 146 17177 '1H chemical shifts' 146 17177 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 . . 2010-12-14 2010-09-10 update BMRB 'update entry citation' 17177 1 . . 2010-11-19 2010-09-10 original author 'original release' 17177 stop_ save_ ############### # Citations # ############### save_visual_arrestin _Citation.Sf_category citations _Citation.Sf_framecode visual_arrestin _Citation.Entry_ID 17177 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21050017 _Citation.Full_citation . _Citation.Title 'Elucidation of inositol hexaphosphate and heparin interaction sites and conformational changes in arrestin-1 by solution nuclear magnetic resonance.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 49 _Citation.Journal_issue 49 _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 10473 _Citation.Page_last 10485 _Citation.Year 2010 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Tiandi Zhuang . . . 17177 1 2 Sergey Vishnivetskiy . A. . 17177 1 3 Vsevolod Gurevich . V. . 17177 1 4 Charles Sanders . R. . 17177 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17177 _Assembly.ID 1 _Assembly.Name 'visual arrestin' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'visual arrestin' 1 $arrestin-1 A . yes native no no . . . 17177 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_arrestin-1 _Entity.Sf_category entity _Entity.Sf_framecode arrestin-1 _Entity.Entry_ID 17177 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name arrestin-1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MKANKPAPNHVIFKKISRDK SVTIYLGKRDYIDHVERVEP VDGVVLVDPELVKGKRVYVS LTCAFRYGQEDIDVMGLSFR RDLYASQVQVFPPVGASGAT TRLQESLIKKLGANTYPFLL TFPDYLPCSVMLQPAPQDVG KSCGVDFEIKAFATHSTDVE EDKIPKKSSVRLLIRKVQHA PRDMGPQPRAEASWQFAMSD KPLRLAVSLSKEIYYHGEPI PVTVAVTNSTEKTVKKIKVL VEQVTNVVLYSSDYYIKTVA AEEAQEKVPPNSSLTKTLTL VPLLANNRERRGIALDGKIK HEDTNLASSTIIKEGIDKTV MGILVSYQIKVKLTVSGLLG ELTSSEVATEVPFRLMHPQP EDPDTAKESFQDENFVFEEF ARQNLKDAGEYKEEKTDQEA AMDE ; _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 404 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1AYR . "Arrestin From Bovine Rod Outer Segments" . . . . . 90.84 368 99.46 99.46 0.00e+00 . . . . 17177 1 2 no PDB 1CF1 . "Arrestin From Bovine Rod Outer Segments" . . . . . 99.75 404 99.50 99.50 0.00e+00 . . . . 17177 1 3 no PDB 3UGU . "Crystal Structure Of P44 (Splice Variant Of Visual Arrestin)" . . . . . 91.34 380 99.46 99.46 0.00e+00 . . . . 17177 1 4 no PDB 3UGX . "Crystal Structure Of Visual Arrestin" . . . . . 100.00 414 99.50 99.50 0.00e+00 . . . . 17177 1 5 no PDB 4J2Q . "Crystal Structure Of C-terminally Truncated Arrestin Reveals Mechanism Of Arrestin Activation" . . . . . 91.34 380 99.46 99.46 0.00e+00 . . . . 17177 1 6 no PDB 4ZRG . "Visual Arrestin Mutant - R175e" . . . . . 100.00 418 99.26 99.26 0.00e+00 . . . . 17177 1 7 no EMBL CAA27179 . "put. S-antigen C-terminus [Bos taurus]" . . . . . 59.16 239 99.58 99.58 1.01e-167 . . . . 17177 1 8 no GB AAA20465 . "arrestin [Bos taurus]" . . . . . 91.34 370 99.46 99.46 0.00e+00 . . . . 17177 1 9 no GB AAA30377 . "S-antigen [Bos taurus]" . . . . . 100.00 404 98.51 99.26 0.00e+00 . . . . 17177 1 10 no GB AAA30378 . "retinal S antigen [Bos taurus]" . . . . . 100.00 404 99.50 99.50 0.00e+00 . . . . 17177 1 11 no GB AAB31037 . "p44=arrestin {alternatively spliced} [cattle, retinas, rod outer segment, Peptide, 370 aa]" . . . . . 91.34 370 99.46 99.46 0.00e+00 . . . . 17177 1 12 no GB ELR56916 . "S-arrestin, partial [Bos mutus]" . . . . . 100.00 408 99.01 99.01 0.00e+00 . . . . 17177 1 13 no REF NP_851343 . "S-arrestin [Bos taurus]" . . . . . 91.34 370 99.46 99.46 0.00e+00 . . . . 17177 1 14 no REF XP_005895068 . "PREDICTED: S-arrestin isoform X1 [Bos mutus]" . . . . . 100.00 404 99.01 99.01 0.00e+00 . . . . 17177 1 15 no REF XP_005895069 . "PREDICTED: S-arrestin isoform X2 [Bos mutus]" . . . . . 91.34 370 98.92 98.92 0.00e+00 . . . . 17177 1 16 no REF XP_006041822 . "PREDICTED: S-arrestin isoform X1 [Bubalus bubalis]" . . . . . 100.00 404 98.27 98.51 0.00e+00 . . . . 17177 1 17 no REF XP_006041824 . "PREDICTED: S-arrestin isoform X3 [Bubalus bubalis]" . . . . . 91.34 370 98.10 98.37 0.00e+00 . . . . 17177 1 18 no SP P08168 . "RecName: Full=S-arrestin; AltName: Full=48 kDa protein; AltName: Full=Retinal S-antigen; Short=S-AG; AltName: Full=Rod photorec" . . . . . 100.00 404 99.50 99.50 0.00e+00 . . . . 17177 1 19 no TPG DAA30932 . "TPA: S-arrestin [Bos taurus]" . . . . . 91.34 370 99.46 99.46 0.00e+00 . . . . 17177 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 17177 1 2 . LYS . 17177 1 3 . ALA . 17177 1 4 . ASN . 17177 1 5 . LYS . 17177 1 6 . PRO . 17177 1 7 . ALA . 17177 1 8 . PRO . 17177 1 9 . ASN . 17177 1 10 . HIS . 17177 1 11 . VAL . 17177 1 12 . ILE . 17177 1 13 . PHE . 17177 1 14 . LYS . 17177 1 15 . LYS . 17177 1 16 . ILE . 17177 1 17 . SER . 17177 1 18 . ARG . 17177 1 19 . ASP . 17177 1 20 . LYS . 17177 1 21 . SER . 17177 1 22 . VAL . 17177 1 23 . THR . 17177 1 24 . ILE . 17177 1 25 . TYR . 17177 1 26 . LEU . 17177 1 27 . GLY . 17177 1 28 . LYS . 17177 1 29 . ARG . 17177 1 30 . ASP . 17177 1 31 . TYR . 17177 1 32 . ILE . 17177 1 33 . ASP . 17177 1 34 . HIS . 17177 1 35 . VAL . 17177 1 36 . GLU . 17177 1 37 . ARG . 17177 1 38 . VAL . 17177 1 39 . GLU . 17177 1 40 . PRO . 17177 1 41 . VAL . 17177 1 42 . ASP . 17177 1 43 . GLY . 17177 1 44 . VAL . 17177 1 45 . VAL . 17177 1 46 . LEU . 17177 1 47 . VAL . 17177 1 48 . ASP . 17177 1 49 . PRO . 17177 1 50 . GLU . 17177 1 51 . LEU . 17177 1 52 . VAL . 17177 1 53 . LYS . 17177 1 54 . GLY . 17177 1 55 . LYS . 17177 1 56 . ARG . 17177 1 57 . VAL . 17177 1 58 . TYR . 17177 1 59 . VAL . 17177 1 60 . SER . 17177 1 61 . LEU . 17177 1 62 . THR . 17177 1 63 . CYS . 17177 1 64 . ALA . 17177 1 65 . PHE . 17177 1 66 . ARG . 17177 1 67 . TYR . 17177 1 68 . GLY . 17177 1 69 . GLN . 17177 1 70 . GLU . 17177 1 71 . ASP . 17177 1 72 . ILE . 17177 1 73 . ASP . 17177 1 74 . VAL . 17177 1 75 . MET . 17177 1 76 . GLY . 17177 1 77 . LEU . 17177 1 78 . SER . 17177 1 79 . PHE . 17177 1 80 . ARG . 17177 1 81 . ARG . 17177 1 82 . ASP . 17177 1 83 . LEU . 17177 1 84 . TYR . 17177 1 85 . ALA . 17177 1 86 . SER . 17177 1 87 . GLN . 17177 1 88 . VAL . 17177 1 89 . GLN . 17177 1 90 . VAL . 17177 1 91 . PHE . 17177 1 92 . PRO . 17177 1 93 . PRO . 17177 1 94 . VAL . 17177 1 95 . GLY . 17177 1 96 . ALA . 17177 1 97 . SER . 17177 1 98 . GLY . 17177 1 99 . ALA . 17177 1 100 . THR . 17177 1 101 . THR . 17177 1 102 . ARG . 17177 1 103 . LEU . 17177 1 104 . GLN . 17177 1 105 . GLU . 17177 1 106 . SER . 17177 1 107 . LEU . 17177 1 108 . ILE . 17177 1 109 . LYS . 17177 1 110 . LYS . 17177 1 111 . LEU . 17177 1 112 . GLY . 17177 1 113 . ALA . 17177 1 114 . ASN . 17177 1 115 . THR . 17177 1 116 . TYR . 17177 1 117 . PRO . 17177 1 118 . PHE . 17177 1 119 . LEU . 17177 1 120 . LEU . 17177 1 121 . THR . 17177 1 122 . PHE . 17177 1 123 . PRO . 17177 1 124 . ASP . 17177 1 125 . TYR . 17177 1 126 . LEU . 17177 1 127 . PRO . 17177 1 128 . CYS . 17177 1 129 . SER . 17177 1 130 . VAL . 17177 1 131 . MET . 17177 1 132 . LEU . 17177 1 133 . GLN . 17177 1 134 . PRO . 17177 1 135 . ALA . 17177 1 136 . PRO . 17177 1 137 . GLN . 17177 1 138 . ASP . 17177 1 139 . VAL . 17177 1 140 . GLY . 17177 1 141 . LYS . 17177 1 142 . SER . 17177 1 143 . CYS . 17177 1 144 . GLY . 17177 1 145 . VAL . 17177 1 146 . ASP . 17177 1 147 . PHE . 17177 1 148 . GLU . 17177 1 149 . ILE . 17177 1 150 . LYS . 17177 1 151 . ALA . 17177 1 152 . PHE . 17177 1 153 . ALA . 17177 1 154 . THR . 17177 1 155 . HIS . 17177 1 156 . SER . 17177 1 157 . THR . 17177 1 158 . ASP . 17177 1 159 . VAL . 17177 1 160 . GLU . 17177 1 161 . GLU . 17177 1 162 . ASP . 17177 1 163 . LYS . 17177 1 164 . ILE . 17177 1 165 . PRO . 17177 1 166 . LYS . 17177 1 167 . LYS . 17177 1 168 . SER . 17177 1 169 . SER . 17177 1 170 . VAL . 17177 1 171 . ARG . 17177 1 172 . LEU . 17177 1 173 . LEU . 17177 1 174 . ILE . 17177 1 175 . ARG . 17177 1 176 . LYS . 17177 1 177 . VAL . 17177 1 178 . GLN . 17177 1 179 . HIS . 17177 1 180 . ALA . 17177 1 181 . PRO . 17177 1 182 . ARG . 17177 1 183 . ASP . 17177 1 184 . MET . 17177 1 185 . GLY . 17177 1 186 . PRO . 17177 1 187 . GLN . 17177 1 188 . PRO . 17177 1 189 . ARG . 17177 1 190 . ALA . 17177 1 191 . GLU . 17177 1 192 . ALA . 17177 1 193 . SER . 17177 1 194 . TRP . 17177 1 195 . GLN . 17177 1 196 . PHE . 17177 1 197 . ALA . 17177 1 198 . MET . 17177 1 199 . SER . 17177 1 200 . ASP . 17177 1 201 . LYS . 17177 1 202 . PRO . 17177 1 203 . LEU . 17177 1 204 . ARG . 17177 1 205 . LEU . 17177 1 206 . ALA . 17177 1 207 . VAL . 17177 1 208 . SER . 17177 1 209 . LEU . 17177 1 210 . SER . 17177 1 211 . LYS . 17177 1 212 . GLU . 17177 1 213 . ILE . 17177 1 214 . TYR . 17177 1 215 . TYR . 17177 1 216 . HIS . 17177 1 217 . GLY . 17177 1 218 . GLU . 17177 1 219 . PRO . 17177 1 220 . ILE . 17177 1 221 . PRO . 17177 1 222 . VAL . 17177 1 223 . THR . 17177 1 224 . VAL . 17177 1 225 . ALA . 17177 1 226 . VAL . 17177 1 227 . THR . 17177 1 228 . ASN . 17177 1 229 . SER . 17177 1 230 . THR . 17177 1 231 . GLU . 17177 1 232 . LYS . 17177 1 233 . THR . 17177 1 234 . VAL . 17177 1 235 . LYS . 17177 1 236 . LYS . 17177 1 237 . ILE . 17177 1 238 . LYS . 17177 1 239 . VAL . 17177 1 240 . LEU . 17177 1 241 . VAL . 17177 1 242 . GLU . 17177 1 243 . GLN . 17177 1 244 . VAL . 17177 1 245 . THR . 17177 1 246 . ASN . 17177 1 247 . VAL . 17177 1 248 . VAL . 17177 1 249 . LEU . 17177 1 250 . TYR . 17177 1 251 . SER . 17177 1 252 . SER . 17177 1 253 . ASP . 17177 1 254 . TYR . 17177 1 255 . TYR . 17177 1 256 . ILE . 17177 1 257 . LYS . 17177 1 258 . THR . 17177 1 259 . VAL . 17177 1 260 . ALA . 17177 1 261 . ALA . 17177 1 262 . GLU . 17177 1 263 . GLU . 17177 1 264 . ALA . 17177 1 265 . GLN . 17177 1 266 . GLU . 17177 1 267 . LYS . 17177 1 268 . VAL . 17177 1 269 . PRO . 17177 1 270 . PRO . 17177 1 271 . ASN . 17177 1 272 . SER . 17177 1 273 . SER . 17177 1 274 . LEU . 17177 1 275 . THR . 17177 1 276 . LYS . 17177 1 277 . THR . 17177 1 278 . LEU . 17177 1 279 . THR . 17177 1 280 . LEU . 17177 1 281 . VAL . 17177 1 282 . PRO . 17177 1 283 . LEU . 17177 1 284 . LEU . 17177 1 285 . ALA . 17177 1 286 . ASN . 17177 1 287 . ASN . 17177 1 288 . ARG . 17177 1 289 . GLU . 17177 1 290 . ARG . 17177 1 291 . ARG . 17177 1 292 . GLY . 17177 1 293 . ILE . 17177 1 294 . ALA . 17177 1 295 . LEU . 17177 1 296 . ASP . 17177 1 297 . GLY . 17177 1 298 . LYS . 17177 1 299 . ILE . 17177 1 300 . LYS . 17177 1 301 . HIS . 17177 1 302 . GLU . 17177 1 303 . ASP . 17177 1 304 . THR . 17177 1 305 . ASN . 17177 1 306 . LEU . 17177 1 307 . ALA . 17177 1 308 . SER . 17177 1 309 . SER . 17177 1 310 . THR . 17177 1 311 . ILE . 17177 1 312 . ILE . 17177 1 313 . LYS . 17177 1 314 . GLU . 17177 1 315 . GLY . 17177 1 316 . ILE . 17177 1 317 . ASP . 17177 1 318 . LYS . 17177 1 319 . THR . 17177 1 320 . VAL . 17177 1 321 . MET . 17177 1 322 . GLY . 17177 1 323 . ILE . 17177 1 324 . LEU . 17177 1 325 . VAL . 17177 1 326 . SER . 17177 1 327 . TYR . 17177 1 328 . GLN . 17177 1 329 . ILE . 17177 1 330 . LYS . 17177 1 331 . VAL . 17177 1 332 . LYS . 17177 1 333 . LEU . 17177 1 334 . THR . 17177 1 335 . VAL . 17177 1 336 . SER . 17177 1 337 . GLY . 17177 1 338 . LEU . 17177 1 339 . LEU . 17177 1 340 . GLY . 17177 1 341 . GLU . 17177 1 342 . LEU . 17177 1 343 . THR . 17177 1 344 . SER . 17177 1 345 . SER . 17177 1 346 . GLU . 17177 1 347 . VAL . 17177 1 348 . ALA . 17177 1 349 . THR . 17177 1 350 . GLU . 17177 1 351 . VAL . 17177 1 352 . PRO . 17177 1 353 . PHE . 17177 1 354 . ARG . 17177 1 355 . LEU . 17177 1 356 . MET . 17177 1 357 . HIS . 17177 1 358 . PRO . 17177 1 359 . GLN . 17177 1 360 . PRO . 17177 1 361 . GLU . 17177 1 362 . ASP . 17177 1 363 . PRO . 17177 1 364 . ASP . 17177 1 365 . THR . 17177 1 366 . ALA . 17177 1 367 . LYS . 17177 1 368 . GLU . 17177 1 369 . SER . 17177 1 370 . PHE . 17177 1 371 . GLN . 17177 1 372 . ASP . 17177 1 373 . GLU . 17177 1 374 . ASN . 17177 1 375 . PHE . 17177 1 376 . VAL . 17177 1 377 . PHE . 17177 1 378 . GLU . 17177 1 379 . GLU . 17177 1 380 . PHE . 17177 1 381 . ALA . 17177 1 382 . ARG . 17177 1 383 . GLN . 17177 1 384 . ASN . 17177 1 385 . LEU . 17177 1 386 . LYS . 17177 1 387 . ASP . 17177 1 388 . ALA . 17177 1 389 . GLY . 17177 1 390 . GLU . 17177 1 391 . TYR . 17177 1 392 . LYS . 17177 1 393 . GLU . 17177 1 394 . GLU . 17177 1 395 . LYS . 17177 1 396 . THR . 17177 1 397 . ASP . 17177 1 398 . GLN . 17177 1 399 . GLU . 17177 1 400 . ALA . 17177 1 401 . ALA . 17177 1 402 . MET . 17177 1 403 . ASP . 17177 1 404 . GLU . 17177 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 17177 1 . LYS 2 2 17177 1 . ALA 3 3 17177 1 . ASN 4 4 17177 1 . LYS 5 5 17177 1 . PRO 6 6 17177 1 . ALA 7 7 17177 1 . PRO 8 8 17177 1 . ASN 9 9 17177 1 . HIS 10 10 17177 1 . VAL 11 11 17177 1 . ILE 12 12 17177 1 . PHE 13 13 17177 1 . LYS 14 14 17177 1 . LYS 15 15 17177 1 . ILE 16 16 17177 1 . SER 17 17 17177 1 . ARG 18 18 17177 1 . ASP 19 19 17177 1 . LYS 20 20 17177 1 . SER 21 21 17177 1 . VAL 22 22 17177 1 . THR 23 23 17177 1 . ILE 24 24 17177 1 . TYR 25 25 17177 1 . LEU 26 26 17177 1 . GLY 27 27 17177 1 . LYS 28 28 17177 1 . ARG 29 29 17177 1 . ASP 30 30 17177 1 . TYR 31 31 17177 1 . ILE 32 32 17177 1 . ASP 33 33 17177 1 . HIS 34 34 17177 1 . VAL 35 35 17177 1 . GLU 36 36 17177 1 . ARG 37 37 17177 1 . VAL 38 38 17177 1 . GLU 39 39 17177 1 . PRO 40 40 17177 1 . VAL 41 41 17177 1 . ASP 42 42 17177 1 . GLY 43 43 17177 1 . VAL 44 44 17177 1 . VAL 45 45 17177 1 . LEU 46 46 17177 1 . VAL 47 47 17177 1 . ASP 48 48 17177 1 . PRO 49 49 17177 1 . GLU 50 50 17177 1 . LEU 51 51 17177 1 . VAL 52 52 17177 1 . LYS 53 53 17177 1 . GLY 54 54 17177 1 . LYS 55 55 17177 1 . ARG 56 56 17177 1 . VAL 57 57 17177 1 . TYR 58 58 17177 1 . VAL 59 59 17177 1 . SER 60 60 17177 1 . LEU 61 61 17177 1 . THR 62 62 17177 1 . CYS 63 63 17177 1 . ALA 64 64 17177 1 . PHE 65 65 17177 1 . ARG 66 66 17177 1 . TYR 67 67 17177 1 . GLY 68 68 17177 1 . GLN 69 69 17177 1 . GLU 70 70 17177 1 . ASP 71 71 17177 1 . ILE 72 72 17177 1 . ASP 73 73 17177 1 . VAL 74 74 17177 1 . MET 75 75 17177 1 . GLY 76 76 17177 1 . LEU 77 77 17177 1 . SER 78 78 17177 1 . PHE 79 79 17177 1 . ARG 80 80 17177 1 . ARG 81 81 17177 1 . ASP 82 82 17177 1 . LEU 83 83 17177 1 . TYR 84 84 17177 1 . ALA 85 85 17177 1 . SER 86 86 17177 1 . GLN 87 87 17177 1 . VAL 88 88 17177 1 . GLN 89 89 17177 1 . VAL 90 90 17177 1 . PHE 91 91 17177 1 . PRO 92 92 17177 1 . PRO 93 93 17177 1 . VAL 94 94 17177 1 . GLY 95 95 17177 1 . ALA 96 96 17177 1 . SER 97 97 17177 1 . GLY 98 98 17177 1 . ALA 99 99 17177 1 . THR 100 100 17177 1 . THR 101 101 17177 1 . ARG 102 102 17177 1 . LEU 103 103 17177 1 . GLN 104 104 17177 1 . GLU 105 105 17177 1 . SER 106 106 17177 1 . LEU 107 107 17177 1 . ILE 108 108 17177 1 . LYS 109 109 17177 1 . LYS 110 110 17177 1 . LEU 111 111 17177 1 . GLY 112 112 17177 1 . ALA 113 113 17177 1 . ASN 114 114 17177 1 . THR 115 115 17177 1 . TYR 116 116 17177 1 . PRO 117 117 17177 1 . PHE 118 118 17177 1 . LEU 119 119 17177 1 . LEU 120 120 17177 1 . THR 121 121 17177 1 . PHE 122 122 17177 1 . PRO 123 123 17177 1 . ASP 124 124 17177 1 . TYR 125 125 17177 1 . LEU 126 126 17177 1 . PRO 127 127 17177 1 . CYS 128 128 17177 1 . SER 129 129 17177 1 . VAL 130 130 17177 1 . MET 131 131 17177 1 . LEU 132 132 17177 1 . GLN 133 133 17177 1 . PRO 134 134 17177 1 . ALA 135 135 17177 1 . PRO 136 136 17177 1 . GLN 137 137 17177 1 . ASP 138 138 17177 1 . VAL 139 139 17177 1 . GLY 140 140 17177 1 . LYS 141 141 17177 1 . SER 142 142 17177 1 . CYS 143 143 17177 1 . GLY 144 144 17177 1 . VAL 145 145 17177 1 . ASP 146 146 17177 1 . PHE 147 147 17177 1 . GLU 148 148 17177 1 . ILE 149 149 17177 1 . LYS 150 150 17177 1 . ALA 151 151 17177 1 . PHE 152 152 17177 1 . ALA 153 153 17177 1 . THR 154 154 17177 1 . HIS 155 155 17177 1 . SER 156 156 17177 1 . THR 157 157 17177 1 . ASP 158 158 17177 1 . VAL 159 159 17177 1 . GLU 160 160 17177 1 . GLU 161 161 17177 1 . ASP 162 162 17177 1 . LYS 163 163 17177 1 . ILE 164 164 17177 1 . PRO 165 165 17177 1 . LYS 166 166 17177 1 . LYS 167 167 17177 1 . SER 168 168 17177 1 . SER 169 169 17177 1 . VAL 170 170 17177 1 . ARG 171 171 17177 1 . LEU 172 172 17177 1 . LEU 173 173 17177 1 . ILE 174 174 17177 1 . ARG 175 175 17177 1 . LYS 176 176 17177 1 . VAL 177 177 17177 1 . GLN 178 178 17177 1 . HIS 179 179 17177 1 . ALA 180 180 17177 1 . PRO 181 181 17177 1 . ARG 182 182 17177 1 . ASP 183 183 17177 1 . MET 184 184 17177 1 . GLY 185 185 17177 1 . PRO 186 186 17177 1 . GLN 187 187 17177 1 . PRO 188 188 17177 1 . ARG 189 189 17177 1 . ALA 190 190 17177 1 . GLU 191 191 17177 1 . ALA 192 192 17177 1 . SER 193 193 17177 1 . TRP 194 194 17177 1 . GLN 195 195 17177 1 . PHE 196 196 17177 1 . ALA 197 197 17177 1 . MET 198 198 17177 1 . SER 199 199 17177 1 . ASP 200 200 17177 1 . LYS 201 201 17177 1 . PRO 202 202 17177 1 . LEU 203 203 17177 1 . ARG 204 204 17177 1 . LEU 205 205 17177 1 . ALA 206 206 17177 1 . VAL 207 207 17177 1 . SER 208 208 17177 1 . LEU 209 209 17177 1 . SER 210 210 17177 1 . LYS 211 211 17177 1 . GLU 212 212 17177 1 . ILE 213 213 17177 1 . TYR 214 214 17177 1 . TYR 215 215 17177 1 . HIS 216 216 17177 1 . GLY 217 217 17177 1 . GLU 218 218 17177 1 . PRO 219 219 17177 1 . ILE 220 220 17177 1 . PRO 221 221 17177 1 . VAL 222 222 17177 1 . THR 223 223 17177 1 . VAL 224 224 17177 1 . ALA 225 225 17177 1 . VAL 226 226 17177 1 . THR 227 227 17177 1 . ASN 228 228 17177 1 . SER 229 229 17177 1 . THR 230 230 17177 1 . GLU 231 231 17177 1 . LYS 232 232 17177 1 . THR 233 233 17177 1 . VAL 234 234 17177 1 . LYS 235 235 17177 1 . LYS 236 236 17177 1 . ILE 237 237 17177 1 . LYS 238 238 17177 1 . VAL 239 239 17177 1 . LEU 240 240 17177 1 . VAL 241 241 17177 1 . GLU 242 242 17177 1 . GLN 243 243 17177 1 . VAL 244 244 17177 1 . THR 245 245 17177 1 . ASN 246 246 17177 1 . VAL 247 247 17177 1 . VAL 248 248 17177 1 . LEU 249 249 17177 1 . TYR 250 250 17177 1 . SER 251 251 17177 1 . SER 252 252 17177 1 . ASP 253 253 17177 1 . TYR 254 254 17177 1 . TYR 255 255 17177 1 . ILE 256 256 17177 1 . LYS 257 257 17177 1 . THR 258 258 17177 1 . VAL 259 259 17177 1 . ALA 260 260 17177 1 . ALA 261 261 17177 1 . GLU 262 262 17177 1 . GLU 263 263 17177 1 . ALA 264 264 17177 1 . GLN 265 265 17177 1 . GLU 266 266 17177 1 . LYS 267 267 17177 1 . VAL 268 268 17177 1 . PRO 269 269 17177 1 . PRO 270 270 17177 1 . ASN 271 271 17177 1 . SER 272 272 17177 1 . SER 273 273 17177 1 . LEU 274 274 17177 1 . THR 275 275 17177 1 . LYS 276 276 17177 1 . THR 277 277 17177 1 . LEU 278 278 17177 1 . THR 279 279 17177 1 . LEU 280 280 17177 1 . VAL 281 281 17177 1 . PRO 282 282 17177 1 . LEU 283 283 17177 1 . LEU 284 284 17177 1 . ALA 285 285 17177 1 . ASN 286 286 17177 1 . ASN 287 287 17177 1 . ARG 288 288 17177 1 . GLU 289 289 17177 1 . ARG 290 290 17177 1 . ARG 291 291 17177 1 . GLY 292 292 17177 1 . ILE 293 293 17177 1 . ALA 294 294 17177 1 . LEU 295 295 17177 1 . ASP 296 296 17177 1 . GLY 297 297 17177 1 . LYS 298 298 17177 1 . ILE 299 299 17177 1 . LYS 300 300 17177 1 . HIS 301 301 17177 1 . GLU 302 302 17177 1 . ASP 303 303 17177 1 . THR 304 304 17177 1 . ASN 305 305 17177 1 . LEU 306 306 17177 1 . ALA 307 307 17177 1 . SER 308 308 17177 1 . SER 309 309 17177 1 . THR 310 310 17177 1 . ILE 311 311 17177 1 . ILE 312 312 17177 1 . LYS 313 313 17177 1 . GLU 314 314 17177 1 . GLY 315 315 17177 1 . ILE 316 316 17177 1 . ASP 317 317 17177 1 . LYS 318 318 17177 1 . THR 319 319 17177 1 . VAL 320 320 17177 1 . MET 321 321 17177 1 . GLY 322 322 17177 1 . ILE 323 323 17177 1 . LEU 324 324 17177 1 . VAL 325 325 17177 1 . SER 326 326 17177 1 . TYR 327 327 17177 1 . GLN 328 328 17177 1 . ILE 329 329 17177 1 . LYS 330 330 17177 1 . VAL 331 331 17177 1 . LYS 332 332 17177 1 . LEU 333 333 17177 1 . THR 334 334 17177 1 . VAL 335 335 17177 1 . SER 336 336 17177 1 . GLY 337 337 17177 1 . LEU 338 338 17177 1 . LEU 339 339 17177 1 . GLY 340 340 17177 1 . GLU 341 341 17177 1 . LEU 342 342 17177 1 . THR 343 343 17177 1 . SER 344 344 17177 1 . SER 345 345 17177 1 . GLU 346 346 17177 1 . VAL 347 347 17177 1 . ALA 348 348 17177 1 . THR 349 349 17177 1 . GLU 350 350 17177 1 . VAL 351 351 17177 1 . PRO 352 352 17177 1 . PHE 353 353 17177 1 . ARG 354 354 17177 1 . LEU 355 355 17177 1 . MET 356 356 17177 1 . HIS 357 357 17177 1 . PRO 358 358 17177 1 . GLN 359 359 17177 1 . PRO 360 360 17177 1 . GLU 361 361 17177 1 . ASP 362 362 17177 1 . PRO 363 363 17177 1 . ASP 364 364 17177 1 . THR 365 365 17177 1 . ALA 366 366 17177 1 . LYS 367 367 17177 1 . GLU 368 368 17177 1 . SER 369 369 17177 1 . PHE 370 370 17177 1 . GLN 371 371 17177 1 . ASP 372 372 17177 1 . GLU 373 373 17177 1 . ASN 374 374 17177 1 . PHE 375 375 17177 1 . VAL 376 376 17177 1 . PHE 377 377 17177 1 . GLU 378 378 17177 1 . GLU 379 379 17177 1 . PHE 380 380 17177 1 . ALA 381 381 17177 1 . ARG 382 382 17177 1 . GLN 383 383 17177 1 . ASN 384 384 17177 1 . LEU 385 385 17177 1 . LYS 386 386 17177 1 . ASP 387 387 17177 1 . ALA 388 388 17177 1 . GLY 389 389 17177 1 . GLU 390 390 17177 1 . TYR 391 391 17177 1 . LYS 392 392 17177 1 . GLU 393 393 17177 1 . GLU 394 394 17177 1 . LYS 395 395 17177 1 . THR 396 396 17177 1 . ASP 397 397 17177 1 . GLN 398 398 17177 1 . GLU 399 399 17177 1 . ALA 400 400 17177 1 . ALA 401 401 17177 1 . MET 402 402 17177 1 . ASP 403 403 17177 1 . GLU 404 404 17177 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 17177 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $arrestin-1 . 9913 organism . 'Bos taurus' cattle . . Eukaryota Metazoa Bos taurus . . . . . . . . . . . . . . . . . . . . . 17177 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 17177 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $arrestin-1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pTrc . . . . . . 17177 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17177 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 arrestin-1 '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $arrestin-1 . . . 0.1 0.5 mM . . . . 17177 1 2 Bis-Tris 'natural abundance' . . . . . . 25 . . mM . . . . 17177 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 17177 1 4 beta-mercaptoethanol 'natural abundance' . . . . . . 5 . . mM . . . . 17177 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17177 1 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17177 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 17177 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . pH 17177 1 pressure 1 . atm 17177 1 temperature 308 . K 17177 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17177 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17177 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17177 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 17177 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 17177 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17177 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17177 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17177 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17177 3 'data analysis' 17177 3 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17177 _Software.ID 4 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17177 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17177 4 stop_ save_ save_Sparta _Software.Sf_category software _Software.Sf_framecode Sparta _Software.Entry_ID 17177 _Software.ID 5 _Software.Name Sparta _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Yang Shen, Ad Bax' . . 17177 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift calculation' 17177 5 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 17177 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17177 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 17177 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 17177 _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 . 800 . . . 17177 1 2 spectrometer_2 Bruker Avance . 600 . . . 17177 1 3 spectrometer_3 Varian INOVA . 900 . . . 17177 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 17177 _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 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17177 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17177 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17177 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17177 1 5 '3D HN(COCA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17177 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 17177 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17177 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17177 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 17177 _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' . . . 17177 1 2 '3D HNCA' . . . 17177 1 3 '3D HNCACB' . . . 17177 1 4 '3D HN(CO)CA' . . . 17177 1 5 '3D HN(COCA)CB' . . . 17177 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 4 4 ASN H H 1 8.293 . . 1 . . . . 4 N H . 17177 1 2 . 1 1 4 4 ASN N N 15 118.627 . . 1 . . . . 4 N N . 17177 1 3 . 1 1 5 5 LYS H H 1 8.043 . . 1 . . . . 5 K H . 17177 1 4 . 1 1 5 5 LYS N N 15 122.796 . . 1 . . . . 5 K N . 17177 1 5 . 1 1 7 7 ALA H H 1 8.230 . . 1 . . . . 7 A H . 17177 1 6 . 1 1 7 7 ALA N N 15 125.849 . . 1 . . . . 7 A N . 17177 1 7 . 1 1 10 10 HIS H H 1 8.459 . . 1 . . . . 10 H H . 17177 1 8 . 1 1 10 10 HIS N N 15 121.936 . . 1 . . . . 10 H N . 17177 1 9 . 1 1 11 11 VAL H H 1 8.374 . . 1 . . . . 11 V H . 17177 1 10 . 1 1 11 11 VAL N N 15 127.560 . . 1 . . . . 11 V N . 17177 1 11 . 1 1 12 12 ILE H H 1 8.449 . . 1 . . . . 12 I H . 17177 1 12 . 1 1 12 12 ILE N N 15 127.808 . . 1 . . . . 12 I N . 17177 1 13 . 1 1 14 14 LYS H H 1 8.796 . . 1 . . . . 14 K H . 17177 1 14 . 1 1 14 14 LYS N N 15 118.940 . . 1 . . . . 14 K N . 17177 1 15 . 1 1 16 16 ILE H H 1 8.487 . . 1 . . . . 16 I H . 17177 1 16 . 1 1 16 16 ILE N N 15 127.296 . . 1 . . . . 16 I N . 17177 1 17 . 1 1 17 17 SER H H 1 8.787 . . 1 . . . . 17 S H . 17177 1 18 . 1 1 17 17 SER N N 15 122.916 . . 1 . . . . 17 S N . 17177 1 19 . 1 1 20 20 LYS H H 1 8.453 . . 1 . . . . 20 K H . 17177 1 20 . 1 1 20 20 LYS N N 15 121.716 . . 1 . . . . 20 K N . 17177 1 21 . 1 1 21 21 SER H H 1 8.002 . . 1 . . . . 21 S H . 17177 1 22 . 1 1 21 21 SER N N 15 115.490 . . 1 . . . . 21 S N . 17177 1 23 . 1 1 26 26 LEU H H 1 9.178 . . 1 . . . . 26 L H . 17177 1 24 . 1 1 26 26 LEU N N 15 119.238 . . 1 . . . . 26 L N . 17177 1 25 . 1 1 27 27 GLY H H 1 8.621 . . 1 . . . . 27 G H . 17177 1 26 . 1 1 27 27 GLY N N 15 106.132 . . 1 . . . . 27 G N . 17177 1 27 . 1 1 28 28 LYS H H 1 7.569 . . 1 . . . . 28 K H . 17177 1 28 . 1 1 28 28 LYS N N 15 114.457 . . 1 . . . . 28 K N . 17177 1 29 . 1 1 31 31 TYR H H 1 8.998 . . 1 . . . . 31 Y H . 17177 1 30 . 1 1 31 31 TYR N N 15 123.018 . . 1 . . . . 31 Y N . 17177 1 31 . 1 1 32 32 ILE H H 1 9.283 . . 1 . . . . 32 I H . 17177 1 32 . 1 1 32 32 ILE N N 15 124.036 . . 1 . . . . 32 I N . 17177 1 33 . 1 1 33 33 ASP H H 1 8.694 . . 1 . . . . 33 D H . 17177 1 34 . 1 1 33 33 ASP N N 15 127.982 . . 1 . . . . 33 D N . 17177 1 35 . 1 1 37 37 ARG H H 1 6.689 . . 1 . . . . 37 R H . 17177 1 36 . 1 1 37 37 ARG N N 15 112.617 . . 1 . . . . 37 R N . 17177 1 37 . 1 1 38 38 VAL H H 1 8.189 . . 1 . . . . 38 V H . 17177 1 38 . 1 1 38 38 VAL N N 15 120.397 . . 1 . . . . 38 V N . 17177 1 39 . 1 1 39 39 GLU H H 1 8.548 . . 1 . . . . 39 E H . 17177 1 40 . 1 1 39 39 GLU N N 15 130.819 . . 1 . . . . 39 E N . 17177 1 41 . 1 1 41 41 VAL H H 1 8.388 . . 1 . . . . 41 V H . 17177 1 42 . 1 1 41 41 VAL N N 15 119.506 . . 1 . . . . 41 V N . 17177 1 43 . 1 1 54 54 GLY H H 1 8.790 . . 1 . . . . 54 G H . 17177 1 44 . 1 1 54 54 GLY N N 15 114.266 . . 1 . . . . 54 G N . 17177 1 45 . 1 1 55 55 LYS H H 1 8.286 . . 1 . . . . 55 K H . 17177 1 46 . 1 1 55 55 LYS N N 15 119.911 . . 1 . . . . 55 K N . 17177 1 47 . 1 1 58 58 TYR H H 1 8.293 . . 1 . . . . 58 Y H . 17177 1 48 . 1 1 58 58 TYR N N 15 126.536 . . 1 . . . . 58 Y N . 17177 1 49 . 1 1 63 63 CYS H H 1 9.163 . . 1 . . . . 63 C H . 17177 1 50 . 1 1 63 63 CYS N N 15 126.496 . . 1 . . . . 63 C N . 17177 1 51 . 1 1 64 64 ALA H H 1 8.985 . . 1 . . . . 64 A H . 17177 1 52 . 1 1 64 64 ALA N N 15 131.856 . . 1 . . . . 64 A N . 17177 1 53 . 1 1 65 65 PHE H H 1 8.939 . . 1 . . . . 65 F H . 17177 1 54 . 1 1 65 65 PHE N N 15 121.315 . . 1 . . . . 65 F N . 17177 1 55 . 1 1 67 67 TYR H H 1 8.613 . . 1 . . . . 67 Y H . 17177 1 56 . 1 1 67 67 TYR N N 15 121.157 . . 1 . . . . 67 Y N . 17177 1 57 . 1 1 72 72 ILE H H 1 8.227 . . 1 . . . . 72 I H . 17177 1 58 . 1 1 72 72 ILE N N 15 117.817 . . 1 . . . . 72 I N . 17177 1 59 . 1 1 73 73 ASP H H 1 8.339 . . 1 . . . . 73 D H . 17177 1 60 . 1 1 73 73 ASP N N 15 122.096 . . 1 . . . . 73 D N . 17177 1 61 . 1 1 74 74 VAL H H 1 7.328 . . 1 . . . . 74 V H . 17177 1 62 . 1 1 74 74 VAL N N 15 118.179 . . 1 . . . . 74 V N . 17177 1 63 . 1 1 75 75 MET H H 1 8.289 . . 1 . . . . 75 M H . 17177 1 64 . 1 1 75 75 MET N N 15 122.956 . . 1 . . . . 75 M N . 17177 1 65 . 1 1 76 76 GLY H H 1 8.315 . . 1 . . . . 76 G H . 17177 1 66 . 1 1 76 76 GLY N N 15 109.665 . . 1 . . . . 76 G N . 17177 1 67 . 1 1 77 77 LEU H H 1 7.939 . . 1 . . . . 77 L H . 17177 1 68 . 1 1 77 77 LEU N N 15 122.096 . . 1 . . . . 77 L N . 17177 1 69 . 1 1 88 88 VAL H H 1 9.069 . . 1 . . . . 88 V H . 17177 1 70 . 1 1 88 88 VAL N N 15 120.437 . . 1 . . . . 88 V N . 17177 1 71 . 1 1 89 89 GLN H H 1 8.745 . . 1 . . . . 89 Q H . 17177 1 72 . 1 1 89 89 GLN N N 15 126.276 . . 1 . . . . 89 Q N . 17177 1 73 . 1 1 94 94 VAL H H 1 8.474 . . 1 . . . . 94 V H . 17177 1 74 . 1 1 94 94 VAL N N 15 119.797 . . 1 . . . . 94 V N . 17177 1 75 . 1 1 95 95 GLY H H 1 8.203 . . 1 . . . . 95 G H . 17177 1 76 . 1 1 95 95 GLY N N 15 111.856 . . 1 . . . . 95 G N . 17177 1 77 . 1 1 96 96 ALA H H 1 8.191 . . 1 . . . . 96 A H . 17177 1 78 . 1 1 96 96 ALA N N 15 124.176 . . 1 . . . . 96 A N . 17177 1 79 . 1 1 97 97 SER H H 1 8.290 . . 1 . . . . 97 S H . 17177 1 80 . 1 1 97 97 SER N N 15 115.652 . . 1 . . . . 97 S N . 17177 1 81 . 1 1 98 98 GLY H H 1 8.165 . . 1 . . . . 98 G H . 17177 1 82 . 1 1 98 98 GLY N N 15 110.436 . . 1 . . . . 98 G N . 17177 1 83 . 1 1 99 99 ALA H H 1 8.261 . . 1 . . . . 99 A H . 17177 1 84 . 1 1 99 99 ALA N N 15 124.376 . . 1 . . . . 99 A N . 17177 1 85 . 1 1 107 107 LEU H H 1 8.303 . . 1 . . . . 107 L H . 17177 1 86 . 1 1 107 107 LEU N N 15 121.217 . . 1 . . . . 107 L N . 17177 1 87 . 1 1 108 108 ILE H H 1 8.469 . . 1 . . . . 108 I H . 17177 1 88 . 1 1 108 108 ILE N N 15 120.937 . . 1 . . . . 108 I N . 17177 1 89 . 1 1 109 109 LYS H H 1 7.605 . . 1 . . . . 109 K H . 17177 1 90 . 1 1 109 109 LYS N N 15 119.637 . . 1 . . . . 109 K N . 17177 1 91 . 1 1 110 110 LYS H H 1 7.545 . . 1 . . . . 110 K H . 17177 1 92 . 1 1 110 110 LYS N N 15 117.317 . . 1 . . . . 110 K N . 17177 1 93 . 1 1 118 118 PHE H H 1 7.865 . . 1 . . . . 118 F H . 17177 1 94 . 1 1 118 118 PHE N N 15 121.456 . . 1 . . . . 118 F N . 17177 1 95 . 1 1 120 120 LEU H H 1 9.093 . . 1 . . . . 120 L H . 17177 1 96 . 1 1 120 120 LEU N N 15 126.756 . . 1 . . . . 120 L N . 17177 1 97 . 1 1 121 121 THR H H 1 7.875 . . 1 . . . . 121 T H . 17177 1 98 . 1 1 121 121 THR N N 15 111.602 . . 1 . . . . 121 T N . 17177 1 99 . 1 1 122 122 PHE H H 1 8.690 . . 1 . . . . 122 F H . 17177 1 100 . 1 1 122 122 PHE N N 15 118.499 . . 1 . . . . 122 F N . 17177 1 101 . 1 1 135 135 ALA H H 1 8.434 . . 1 . . . . 135 A H . 17177 1 102 . 1 1 135 135 ALA N N 15 125.891 . . 1 . . . . 135 A N . 17177 1 103 . 1 1 139 139 VAL H H 1 7.351 . . 1 . . . . 139 V H . 17177 1 104 . 1 1 139 139 VAL N N 15 118.179 . . 1 . . . . 139 V N . 17177 1 105 . 1 1 145 145 VAL H H 1 8.834 . . 1 . . . . 145 V H . 17177 1 106 . 1 1 145 145 VAL N N 15 119.573 . . 1 . . . . 145 V N . 17177 1 107 . 1 1 151 151 ALA H H 1 8.611 . . 1 . . . . 151 A H . 17177 1 108 . 1 1 151 151 ALA N N 15 123.215 . . 1 . . . . 151 A N . 17177 1 109 . 1 1 152 152 PHE H H 1 8.438 . . 1 . . . . 152 F H . 17177 1 110 . 1 1 152 152 PHE N N 15 115.618 . . 1 . . . . 152 F N . 17177 1 111 . 1 1 153 153 ALA H H 1 7.893 . . 1 . . . . 153 A H . 17177 1 112 . 1 1 153 153 ALA N N 15 122.416 . . 1 . . . . 153 A N . 17177 1 113 . 1 1 154 154 THR H H 1 9.219 . . 1 . . . . 154 T H . 17177 1 114 . 1 1 154 154 THR N N 15 114.700 . . 1 . . . . 154 T N . 17177 1 115 . 1 1 162 162 ASP H H 1 7.827 . . 1 . . . . 162 D H . 17177 1 116 . 1 1 162 162 ASP N N 15 121.716 . . 1 . . . . 162 D N . 17177 1 117 . 1 1 163 163 LYS H H 1 7.829 . . 1 . . . . 163 K H . 17177 1 118 . 1 1 163 163 LYS N N 15 119.097 . . 1 . . . . 163 K N . 17177 1 119 . 1 1 167 167 LYS H H 1 6.785 . . 1 . . . . 167 K H . 17177 1 120 . 1 1 167 167 LYS N N 15 122.116 . . 1 . . . . 167 K N . 17177 1 121 . 1 1 172 172 LEU H H 1 8.993 . . 1 . . . . 172 L H . 17177 1 122 . 1 1 172 172 LEU N N 15 129.476 . . 1 . . . . 172 L N . 17177 1 123 . 1 1 174 174 ILE H H 1 7.947 . . 1 . . . . 174 I H . 17177 1 124 . 1 1 174 174 ILE N N 15 117.577 . . 1 . . . . 174 I N . 17177 1 125 . 1 1 182 182 ARG H H 1 8.817 . . 1 . . . . 182 R H . 17177 1 126 . 1 1 182 182 ARG N N 15 117.680 . . 1 . . . . 182 R N . 17177 1 127 . 1 1 183 183 ASP H H 1 7.689 . . 1 . . . . 183 D H . 17177 1 128 . 1 1 183 183 ASP N N 15 116.637 . . 1 . . . . 183 D N . 17177 1 129 . 1 1 184 184 MET H H 1 8.327 . . 1 . . . . 184 M H . 17177 1 130 . 1 1 184 184 MET N N 15 119.370 . . 1 . . . . 184 M N . 17177 1 131 . 1 1 185 185 GLY H H 1 8.971 . . 1 . . . . 185 G H . 17177 1 132 . 1 1 185 185 GLY N N 15 110.017 . . 1 . . . . 185 G N . 17177 1 133 . 1 1 189 189 ARG H H 1 8.395 . . 1 . . . . 189 R H . 17177 1 134 . 1 1 189 189 ARG N N 15 124.397 . . 1 . . . . 189 R N . 17177 1 135 . 1 1 190 190 ALA H H 1 8.387 . . 1 . . . . 190 A H . 17177 1 136 . 1 1 190 190 ALA N N 15 125.176 . . 1 . . . . 190 A N . 17177 1 137 . 1 1 197 197 ALA H H 1 8.069 . . 1 . . . . 197 A H . 17177 1 138 . 1 1 197 197 ALA N N 15 123.894 . . 1 . . . . 197 A N . 17177 1 139 . 1 1 198 198 MET H H 1 7.776 . . 1 . . . . 198 M H . 17177 1 140 . 1 1 198 198 MET N N 15 125.043 . . 1 . . . . 198 M N . 17177 1 141 . 1 1 201 201 LYS H H 1 7.742 . . 1 . . . . 201 K H . 17177 1 142 . 1 1 201 201 LYS N N 15 120.170 . . 1 . . . . 201 K N . 17177 1 143 . 1 1 207 207 VAL H H 1 9.073 . . 1 . . . . 207 V H . 17177 1 144 . 1 1 207 207 VAL N N 15 122.771 . . 1 . . . . 207 V N . 17177 1 145 . 1 1 208 208 SER H H 1 8.955 . . 1 . . . . 208 S H . 17177 1 146 . 1 1 208 208 SER N N 15 119.733 . . 1 . . . . 208 S N . 17177 1 147 . 1 1 213 213 ILE H H 1 7.387 . . 1 . . . . 213 I H . 17177 1 148 . 1 1 213 213 ILE N N 15 120.317 . . 1 . . . . 213 I N . 17177 1 149 . 1 1 226 226 VAL H H 1 9.505 . . 1 . . . . 226 V H . 17177 1 150 . 1 1 226 226 VAL N N 15 126.036 . . 1 . . . . 226 V N . 17177 1 151 . 1 1 227 227 THR H H 1 9.245 . . 1 . . . . 227 T H . 17177 1 152 . 1 1 227 227 THR N N 15 124.936 . . 1 . . . . 227 T N . 17177 1 153 . 1 1 232 232 LYS H H 1 7.851 . . 1 . . . . 232 K H . 17177 1 154 . 1 1 232 232 LYS N N 15 118.277 . . 1 . . . . 232 K N . 17177 1 155 . 1 1 233 233 THR H H 1 8.193 . . 1 . . . . 233 T H . 17177 1 156 . 1 1 233 233 THR N N 15 115.451 . . 1 . . . . 233 T N . 17177 1 157 . 1 1 239 239 VAL H H 1 8.995 . . 1 . . . . 239 V H . 17177 1 158 . 1 1 239 239 VAL N N 15 124.316 . . 1 . . . . 239 V N . 17177 1 159 . 1 1 240 240 LEU H H 1 9.137 . . 1 . . . . 240 L H . 17177 1 160 . 1 1 240 240 LEU N N 15 126.096 . . 1 . . . . 240 L N . 17177 1 161 . 1 1 260 260 ALA H H 1 7.737 . . 1 . . . . 260 A H . 17177 1 162 . 1 1 260 260 ALA N N 15 121.696 . . 1 . . . . 260 A N . 17177 1 163 . 1 1 261 261 ALA H H 1 8.527 . . 1 . . . . 261 A H . 17177 1 164 . 1 1 261 261 ALA N N 15 122.416 . . 1 . . . . 261 A N . 17177 1 165 . 1 1 262 262 GLU H H 1 9.107 . . 1 . . . . 262 E H . 17177 1 166 . 1 1 262 262 GLU N N 15 121.436 . . 1 . . . . 262 E N . 17177 1 167 . 1 1 263 263 GLU H H 1 8.889 . . 1 . . . . 263 E H . 17177 1 168 . 1 1 263 263 GLU N N 15 121.877 . . 1 . . . . 263 E N . 17177 1 169 . 1 1 272 272 SER H H 1 7.987 . . 1 . . . . 272 S H . 17177 1 170 . 1 1 272 272 SER N N 15 112.488 . . 1 . . . . 272 S N . 17177 1 171 . 1 1 274 274 LEU H H 1 8.835 . . 1 . . . . 274 L H . 17177 1 172 . 1 1 274 274 LEU N N 15 124.176 . . 1 . . . . 274 L N . 17177 1 173 . 1 1 275 275 THR H H 1 8.505 . . 1 . . . . 275 T H . 17177 1 174 . 1 1 275 275 THR N N 15 123.696 . . 1 . . . . 275 T N . 17177 1 175 . 1 1 276 276 LYS H H 1 9.125 . . 1 . . . . 276 K H . 17177 1 176 . 1 1 276 276 LYS N N 15 127.676 . . 1 . . . . 276 K N . 17177 1 177 . 1 1 277 277 THR H H 1 8.663 . . 1 . . . . 277 T H . 17177 1 178 . 1 1 277 277 THR N N 15 122.236 . . 1 . . . . 277 T N . 17177 1 179 . 1 1 279 279 THR H H 1 8.433 . . 1 . . . . 279 T H . 17177 1 180 . 1 1 279 279 THR N N 15 117.102 . . 1 . . . . 279 T N . 17177 1 181 . 1 1 280 280 LEU H H 1 8.150 . . 1 . . . . 280 L H . 17177 1 182 . 1 1 280 280 LEU N N 15 121.062 . . 1 . . . . 280 L N . 17177 1 183 . 1 1 281 281 VAL H H 1 7.827 . . 1 . . . . 281 V H . 17177 1 184 . 1 1 281 281 VAL N N 15 118.937 . . 1 . . . . 281 V N . 17177 1 185 . 1 1 283 283 LEU H H 1 8.085 . . 1 . . . . 283 L H . 17177 1 186 . 1 1 283 283 LEU N N 15 127.656 . . 1 . . . . 283 L N . 17177 1 187 . 1 1 284 284 LEU H H 1 8.550 . . 1 . . . . 284 L H . 17177 1 188 . 1 1 284 284 LEU N N 15 118.458 . . 1 . . . . 284 L N . 17177 1 189 . 1 1 287 287 ASN H H 1 6.839 . . 1 . . . . 287 N H . 17177 1 190 . 1 1 287 287 ASN N N 15 117.217 . . 1 . . . . 287 N N . 17177 1 191 . 1 1 288 288 ARG H H 1 6.963 . . 1 . . . . 288 R H . 17177 1 192 . 1 1 288 288 ARG N N 15 120.930 . . 1 . . . . 288 R N . 17177 1 193 . 1 1 294 294 ALA H H 1 7.407 . . 1 . . . . 294 A H . 17177 1 194 . 1 1 294 294 ALA N N 15 129.456 . . 1 . . . . 294 A N . 17177 1 195 . 1 1 298 298 LYS H H 1 8.021 . . 1 . . . . 298 K H . 17177 1 196 . 1 1 298 298 LYS N N 15 120.937 . . 1 . . . . 298 K N . 17177 1 197 . 1 1 299 299 ILE H H 1 7.475 . . 1 . . . . 299 I H . 17177 1 198 . 1 1 299 299 ILE N N 15 122.516 . . 1 . . . . 299 I N . 17177 1 199 . 1 1 311 311 ILE H H 1 8.519 . . 1 . . . . 311 I H . 17177 1 200 . 1 1 311 311 ILE N N 15 129.976 . . 1 . . . . 311 I N . 17177 1 201 . 1 1 312 312 ILE H H 1 8.427 . . 1 . . . . 312 I H . 17177 1 202 . 1 1 312 312 ILE N N 15 128.696 . . 1 . . . . 312 I N . 17177 1 203 . 1 1 318 318 LYS H H 1 8.627 . . 1 . . . . 318 K H . 17177 1 204 . 1 1 318 318 LYS N N 15 126.400 . . 1 . . . . 318 K N . 17177 1 205 . 1 1 327 327 TYR H H 1 7.639 . . 1 . . . . 327 Y H . 17177 1 206 . 1 1 327 327 TYR N N 15 126.670 . . 1 . . . . 327 Y N . 17177 1 207 . 1 1 337 337 GLY H H 1 8.228 . . 1 . . . . 337 G H . 17177 1 208 . 1 1 337 337 GLY N N 15 111.239 . . 1 . . . . 337 G N . 17177 1 209 . 1 1 338 338 LEU H H 1 7.953 . . 1 . . . . 338 L H . 17177 1 210 . 1 1 338 338 LEU N N 15 121.037 . . 1 . . . . 338 L N . 17177 1 211 . 1 1 359 359 GLN H H 1 7.591 . . 1 . . . . 359 Q H . 17177 1 212 . 1 1 359 359 GLN N N 15 120.479 . . 1 . . . . 359 Q N . 17177 1 213 . 1 1 361 361 GLU H H 1 8.348 . . 1 . . . . 361 E H . 17177 1 214 . 1 1 361 361 GLU N N 15 121.791 . . 1 . . . . 361 E N . 17177 1 215 . 1 1 362 362 ASP H H 1 8.286 . . 1 . . . . 362 D H . 17177 1 216 . 1 1 362 362 ASP N N 15 118.029 . . 1 . . . . 362 D N . 17177 1 217 . 1 1 364 364 ASP H H 1 8.401 . . 1 . . . . 364 D H . 17177 1 218 . 1 1 364 364 ASP N N 15 120.080 . . 1 . . . . 364 D N . 17177 1 219 . 1 1 365 365 THR H H 1 7.857 . . 1 . . . . 365 T H . 17177 1 220 . 1 1 365 365 THR N N 15 114.233 . . 1 . . . . 365 T N . 17177 1 221 . 1 1 366 366 ALA H H 1 8.065 . . 1 . . . . 366 A H . 17177 1 222 . 1 1 366 366 ALA N N 15 125.845 . . 1 . . . . 366 A N . 17177 1 223 . 1 1 367 367 LYS H H 1 7.947 . . 1 . . . . 367 K H . 17177 1 224 . 1 1 367 367 LYS N N 15 119.877 . . 1 . . . . 367 K N . 17177 1 225 . 1 1 368 368 GLU H H 1 8.141 . . 1 . . . . 368 E H . 17177 1 226 . 1 1 368 368 GLU N N 15 121.337 . . 1 . . . . 368 E N . 17177 1 227 . 1 1 369 369 SER H H 1 8.034 . . 1 . . . . 369 S H . 17177 1 228 . 1 1 369 369 SER N N 15 116.322 . . 1 . . . . 369 S N . 17177 1 229 . 1 1 370 370 PHE H H 1 8.107 . . 1 . . . . 370 F H . 17177 1 230 . 1 1 370 370 PHE N N 15 121.656 . . 1 . . . . 370 F N . 17177 1 231 . 1 1 371 371 GLN H H 1 7.451 . . 1 . . . . 371 Q H . 17177 1 232 . 1 1 371 371 GLN N N 15 127.416 . . 1 . . . . 371 Q N . 17177 1 233 . 1 1 373 373 GLU H H 1 8.009 . . 1 . . . . 373 E H . 17177 1 234 . 1 1 373 373 GLU N N 15 119.257 . . 1 . . . . 373 E N . 17177 1 235 . 1 1 374 374 ASN H H 1 8.387 . . 1 . . . . 374 N H . 17177 1 236 . 1 1 374 374 ASN N N 15 123.416 . . 1 . . . . 374 N N . 17177 1 237 . 1 1 376 376 VAL H H 1 7.983 . . 1 . . . . 376 V H . 17177 1 238 . 1 1 376 376 VAL N N 15 120.437 . . 1 . . . . 376 V N . 17177 1 239 . 1 1 377 377 PHE H H 1 8.395 . . 1 . . . . 377 F H . 17177 1 240 . 1 1 377 377 PHE N N 15 122.776 . . 1 . . . . 377 F N . 17177 1 241 . 1 1 378 378 GLU H H 1 8.917 . . 1 . . . . 378 E H . 17177 1 242 . 1 1 378 378 GLU N N 15 124.596 . . 1 . . . . 378 E N . 17177 1 243 . 1 1 379 379 GLU H H 1 8.731 . . 1 . . . . 379 E H . 17177 1 244 . 1 1 379 379 GLU N N 15 122.738 . . 1 . . . . 379 E N . 17177 1 245 . 1 1 380 380 PHE H H 1 8.823 . . 1 . . . . 380 F H . 17177 1 246 . 1 1 380 380 PHE N N 15 124.456 . . 1 . . . . 380 F N . 17177 1 247 . 1 1 382 382 ARG H H 1 8.203 . . 1 . . . . 382 R H . 17177 1 248 . 1 1 382 382 ARG N N 15 122.658 . . 1 . . . . 382 R N . 17177 1 249 . 1 1 383 383 GLN H H 1 8.015 . . 1 . . . . 383 Q H . 17177 1 250 . 1 1 383 383 GLN N N 15 120.077 . . 1 . . . . 383 Q N . 17177 1 251 . 1 1 384 384 ASN H H 1 8.670 . . 1 . . . . 384 N H . 17177 1 252 . 1 1 384 384 ASN N N 15 123.917 . . 1 . . . . 384 N N . 17177 1 253 . 1 1 385 385 LEU H H 1 8.466 . . 1 . . . . 385 L H . 17177 1 254 . 1 1 385 385 LEU N N 15 122.924 . . 1 . . . . 385 L N . 17177 1 255 . 1 1 386 386 LYS H H 1 8.567 . . 1 . . . . 386 K H . 17177 1 256 . 1 1 386 386 LYS N N 15 123.956 . . 1 . . . . 386 K N . 17177 1 257 . 1 1 387 387 ASP H H 1 8.243 . . 1 . . . . 387 D H . 17177 1 258 . 1 1 387 387 ASP N N 15 121.180 . . 1 . . . . 387 D N . 17177 1 259 . 1 1 388 388 ALA H H 1 8.137 . . 1 . . . . 388 A H . 17177 1 260 . 1 1 388 388 ALA N N 15 124.416 . . 1 . . . . 388 A N . 17177 1 261 . 1 1 389 389 GLY H H 1 8.312 . . 1 . . . . 389 G H . 17177 1 262 . 1 1 389 389 GLY N N 15 107.772 . . 1 . . . . 389 G N . 17177 1 263 . 1 1 390 390 GLU H H 1 8.093 . . 1 . . . . 390 E H . 17177 1 264 . 1 1 390 390 GLU N N 15 120.677 . . 1 . . . . 390 E N . 17177 1 265 . 1 1 391 391 TYR H H 1 8.071 . . 1 . . . . 391 Y H . 17177 1 266 . 1 1 391 391 TYR N N 15 121.297 . . 1 . . . . 391 Y N . 17177 1 267 . 1 1 392 392 LYS H H 1 7.971 . . 1 . . . . 392 K H . 17177 1 268 . 1 1 392 392 LYS N N 15 124.416 . . 1 . . . . 392 K N . 17177 1 269 . 1 1 393 393 GLU H H 1 8.273 . . 1 . . . . 393 E H . 17177 1 270 . 1 1 393 393 GLU N N 15 122.836 . . 1 . . . . 393 E N . 17177 1 271 . 1 1 394 394 GLU H H 1 8.343 . . 1 . . . . 394 E H . 17177 1 272 . 1 1 394 394 GLU N N 15 123.236 . . 1 . . . . 394 E N . 17177 1 273 . 1 1 395 395 LYS H H 1 8.359 . . 1 . . . . 395 K H . 17177 1 274 . 1 1 395 395 LYS N N 15 123.068 . . 1 . . . . 395 K N . 17177 1 275 . 1 1 396 396 THR H H 1 8.203 . . 1 . . . . 396 T H . 17177 1 276 . 1 1 396 396 THR N N 15 115.547 . . 1 . . . . 396 T N . 17177 1 277 . 1 1 397 397 ASP H H 1 8.331 . . 1 . . . . 397 D H . 17177 1 278 . 1 1 397 397 ASP N N 15 122.516 . . 1 . . . . 397 D N . 17177 1 279 . 1 1 398 398 GLN H H 1 8.222 . . 1 . . . . 398 Q H . 17177 1 280 . 1 1 398 398 GLN N N 15 120.525 . . 1 . . . . 398 Q N . 17177 1 281 . 1 1 399 399 GLU H H 1 8.285 . . 1 . . . . 399 E H . 17177 1 282 . 1 1 399 399 GLU N N 15 121.836 . . 1 . . . . 399 E N . 17177 1 283 . 1 1 400 400 ALA H H 1 8.117 . . 1 . . . . 400 A H . 17177 1 284 . 1 1 400 400 ALA N N 15 124.836 . . 1 . . . . 400 A N . 17177 1 285 . 1 1 401 401 ALA H H 1 8.093 . . 1 . . . . 401 A H . 17177 1 286 . 1 1 401 401 ALA N N 15 123.316 . . 1 . . . . 401 A N . 17177 1 287 . 1 1 402 402 MET H H 1 8.167 . . 1 . . . . 402 M H . 17177 1 288 . 1 1 402 402 MET N N 15 119.557 . . 1 . . . . 402 M N . 17177 1 289 . 1 1 403 403 ASP H H 1 8.236 . . 1 . . . . 403 D H . 17177 1 290 . 1 1 403 403 ASP N N 15 121.955 . . 1 . . . . 403 D N . 17177 1 291 . 1 1 404 404 GLU H H 1 7.763 . . 1 . . . . 404 E H . 17177 1 292 . 1 1 404 404 GLU N N 15 125.996 . . 1 . . . . 404 E N . 17177 1 stop_ save_