data_17224 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; TROSY-NMR reveals interaction between ERp57 and the tip of the calreticulin P-domain ; _BMRB_accession_number 17224 _BMRB_flat_file_name bmr17224.str _Entry_type original _Submission_date 2010-09-29 _Accession_date 2010-09-29 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Frickel Eva-Maria . . 2 Riek Roland . . 3 Jelesarov Ilian . . 4 Helenius Ari . . 5 Wuthrich Kurt . . 6 Ellgaard Lars . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count binding_constants 1 chemical_rates 1 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-11-10 original author . stop_ _Original_release_date 2010-11-10 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'TROSY-NMR reveals interaction between ERp57 and the tip of the calreticulin P-domain' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 11842220 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Frickel Eva-Maria . . 2 Riek Roland . . 3 Jelesarov Ilian . . 4 Helenius Ari . . 5 Wuthrich Kurt . . 6 Ellgaard Lars . . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Journal_volume 99 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1954 _Page_last 1959 _Year 2002 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'CRT/ERp57 complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CRT $CRT ERp57 $ERp57 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_CRT _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CRT _Molecular_mass . _Mol_thiol_state 'not reported' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 100 _Mol_residue_sequence ; SQVESGSLEDDWDFLPPKKI KDPDASKPEDWDERAKIDDP TDSKPEDWDKPEHIPDPDAK KPEDWDEEMDGEWEPPVIQN PEYKGEWKPRQIDNPDYKGT ; loop_ _Residue_seq_code _Residue_label 1 SER 2 GLN 3 VAL 4 GLU 5 SER 6 GLY 7 SER 8 LEU 9 GLU 10 ASP 11 ASP 12 TRP 13 ASP 14 PHE 15 LEU 16 PRO 17 PRO 18 LYS 19 LYS 20 ILE 21 LYS 22 ASP 23 PRO 24 ASP 25 ALA 26 SER 27 LYS 28 PRO 29 GLU 30 ASP 31 TRP 32 ASP 33 GLU 34 ARG 35 ALA 36 LYS 37 ILE 38 ASP 39 ASP 40 PRO 41 THR 42 ASP 43 SER 44 LYS 45 PRO 46 GLU 47 ASP 48 TRP 49 ASP 50 LYS 51 PRO 52 GLU 53 HIS 54 ILE 55 PRO 56 ASP 57 PRO 58 ASP 59 ALA 60 LYS 61 LYS 62 PRO 63 GLU 64 ASP 65 TRP 66 ASP 67 GLU 68 GLU 69 MET 70 ASP 71 GLY 72 GLU 73 TRP 74 GLU 75 PRO 76 PRO 77 VAL 78 ILE 79 GLN 80 ASN 81 PRO 82 GLU 83 TYR 84 LYS 85 GLY 86 GLU 87 TRP 88 LYS 89 PRO 90 ARG 91 GLN 92 ILE 93 ASP 94 ASN 95 PRO 96 ASP 97 TYR 98 LYS 99 GLY 100 THR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-05 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1HHN "Calreticulin P-Domain" 83.00 101 98.80 100.00 9.34e-46 PDB 1K9C "Solution Structure Of Calreticulin P-Domain Subdomain (Residues 189-261)" 73.00 74 98.63 100.00 2.68e-38 DBJ BAA11345 "calreticulin [Rattus norvegicus]" 100.00 416 99.00 100.00 4.34e-59 DBJ BAC35852 "unnamed protein product [Mus musculus]" 100.00 416 99.00 100.00 6.86e-59 DBJ BAD96780 "calreticulin precursor variant [Homo sapiens]" 100.00 406 100.00 100.00 3.60e-59 DBJ BAE01267 "unnamed protein product [Macaca fascicularis]" 100.00 417 100.00 100.00 2.87e-59 DBJ BAE22866 "unnamed protein product [Mus musculus]" 100.00 368 99.00 100.00 1.31e-59 EMBL CAA33053 "calreticulin precursor protein [Mus musculus]" 100.00 416 99.00 100.00 6.86e-59 EMBL CAA37446 "precursor (AA -17 to 399) [Rattus norvegicus]" 100.00 416 99.00 100.00 4.34e-59 EMBL CAA55890 "calreticulin [Rattus norvegicus]" 100.00 416 99.00 100.00 4.34e-59 EMBL CAG33351 "CALR [Homo sapiens]" 100.00 417 100.00 100.00 2.84e-59 GB AAA31188 "calreticulin precursor [Oryctolagus cuniculus]" 100.00 418 100.00 100.00 2.52e-59 GB AAA36582 "Ro ribonucleoprotein autoantigen (Ro/SS-A) precursor [Homo sapiens]" 100.00 417 100.00 100.00 2.84e-59 GB AAA37569 "calregulin [Mus musculus]" 100.00 416 99.00 100.00 6.86e-59 GB AAA51916 "calreticulin [Homo sapiens]" 100.00 417 100.00 100.00 2.84e-59 GB AAB20096 "calreticulin [rabbits, sketetal muscle, Peptide, 401 aa]" 100.00 401 100.00 100.00 2.09e-59 REF NP_001075704 "calreticulin precursor [Oryctolagus cuniculus]" 100.00 418 100.00 100.00 2.52e-59 REF NP_001167604 "calreticulin precursor [Sus scrofa]" 100.00 417 99.00 99.00 1.20e-58 REF NP_001231051 "calreticulin precursor [Cricetulus griseus]" 100.00 417 99.00 100.00 6.51e-59 REF NP_001248060 "calreticulin precursor [Macaca mulatta]" 100.00 417 100.00 100.00 2.87e-59 REF NP_001274539 "calreticulin precursor [Macaca fascicularis]" 100.00 417 100.00 100.00 2.87e-59 SP P14211 "RecName: Full=Calreticulin; AltName: Full=CRP55; AltName: Full=Calregulin; AltName: Full=Endoplasmic reticulum resident protein" 100.00 416 99.00 100.00 6.86e-59 SP P15253 "RecName: Full=Calreticulin; AltName: Full=CRP55; AltName: Full=Calregulin; AltName: Full=Endoplasmic reticulum resident protein" 100.00 418 100.00 100.00 2.52e-59 SP P18418 "RecName: Full=Calreticulin; AltName: Full=CALBP; AltName: Full=CRP55; AltName: Full=Calcium-binding protein 3; Short=CABP3; Alt" 100.00 416 99.00 100.00 4.34e-59 SP P27797 "RecName: Full=Calreticulin; AltName: Full=CRP55; AltName: Full=Calregulin; AltName: Full=Endoplasmic reticulum resident protein" 100.00 417 100.00 100.00 2.84e-59 SP P28491 "RecName: Full=Calreticulin; AltName: Full=CRP55; AltName: Full=Calregulin; AltName: Full=Endoplasmic reticulum resident protein" 100.00 417 99.00 99.00 1.20e-58 stop_ save_ save_ERp57 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common ERp57 _Molecular_mass . _Mol_thiol_state 'not reported' _Details . _Residue_count 505 _Mol_residue_sequence ; MRLRRLALFPGVALLLAAAR LAAASDVLELTDDNFESRIS DTGSAGLMLVEFFAPWCGHC KRLAPEYEAAATRLKGIVPL AKVDCTANTNTCNKYGVSGY PTLKIFRDGEEAGAYDGPRT ADGIVSHLKKQAGPASVPLR TEEEFKKFISDKDASIVGFF DDSFSEAHSEFLKAASNLRD NYRFAHTNVESLVNEYDDNG EGIILFRPSHLTNKFEDKTV AYTEQKMTSGKIKKFIQENI FGICPHMTEDNKDLIQGKDL LIAYYDVDYEKNAKGSNYWR NRVMMVAKKFLDAGHKLNFA VASRKTFSHELSDFGLESTA GEIPVVAIRTAKGEKFVMQE EFSRDGKALERFLQDYFDGN LKRYLKSEPIPESNDGPVKV VVAENFDEIVNNENKDVLIE FYAPWCGHCKNLEPKYKELG EKLSKDPNIVIAKMDATAND VPSPYEVRGFPTIYFSPANK KLNPKKYEGGRELSDFISYL QREATNPPVIQEEKPKKKKK AQEDL ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ARG 3 LEU 4 ARG 5 ARG 6 LEU 7 ALA 8 LEU 9 PHE 10 PRO 11 GLY 12 VAL 13 ALA 14 LEU 15 LEU 16 LEU 17 ALA 18 ALA 19 ALA 20 ARG 21 LEU 22 ALA 23 ALA 24 ALA 25 SER 26 ASP 27 VAL 28 LEU 29 GLU 30 LEU 31 THR 32 ASP 33 ASP 34 ASN 35 PHE 36 GLU 37 SER 38 ARG 39 ILE 40 SER 41 ASP 42 THR 43 GLY 44 SER 45 ALA 46 GLY 47 LEU 48 MET 49 LEU 50 VAL 51 GLU 52 PHE 53 PHE 54 ALA 55 PRO 56 TRP 57 CYS 58 GLY 59 HIS 60 CYS 61 LYS 62 ARG 63 LEU 64 ALA 65 PRO 66 GLU 67 TYR 68 GLU 69 ALA 70 ALA 71 ALA 72 THR 73 ARG 74 LEU 75 LYS 76 GLY 77 ILE 78 VAL 79 PRO 80 LEU 81 ALA 82 LYS 83 VAL 84 ASP 85 CYS 86 THR 87 ALA 88 ASN 89 THR 90 ASN 91 THR 92 CYS 93 ASN 94 LYS 95 TYR 96 GLY 97 VAL 98 SER 99 GLY 100 TYR 101 PRO 102 THR 103 LEU 104 LYS 105 ILE 106 PHE 107 ARG 108 ASP 109 GLY 110 GLU 111 GLU 112 ALA 113 GLY 114 ALA 115 TYR 116 ASP 117 GLY 118 PRO 119 ARG 120 THR 121 ALA 122 ASP 123 GLY 124 ILE 125 VAL 126 SER 127 HIS 128 LEU 129 LYS 130 LYS 131 GLN 132 ALA 133 GLY 134 PRO 135 ALA 136 SER 137 VAL 138 PRO 139 LEU 140 ARG 141 THR 142 GLU 143 GLU 144 GLU 145 PHE 146 LYS 147 LYS 148 PHE 149 ILE 150 SER 151 ASP 152 LYS 153 ASP 154 ALA 155 SER 156 ILE 157 VAL 158 GLY 159 PHE 160 PHE 161 ASP 162 ASP 163 SER 164 PHE 165 SER 166 GLU 167 ALA 168 HIS 169 SER 170 GLU 171 PHE 172 LEU 173 LYS 174 ALA 175 ALA 176 SER 177 ASN 178 LEU 179 ARG 180 ASP 181 ASN 182 TYR 183 ARG 184 PHE 185 ALA 186 HIS 187 THR 188 ASN 189 VAL 190 GLU 191 SER 192 LEU 193 VAL 194 ASN 195 GLU 196 TYR 197 ASP 198 ASP 199 ASN 200 GLY 201 GLU 202 GLY 203 ILE 204 ILE 205 LEU 206 PHE 207 ARG 208 PRO 209 SER 210 HIS 211 LEU 212 THR 213 ASN 214 LYS 215 PHE 216 GLU 217 ASP 218 LYS 219 THR 220 VAL 221 ALA 222 TYR 223 THR 224 GLU 225 GLN 226 LYS 227 MET 228 THR 229 SER 230 GLY 231 LYS 232 ILE 233 LYS 234 LYS 235 PHE 236 ILE 237 GLN 238 GLU 239 ASN 240 ILE 241 PHE 242 GLY 243 ILE 244 CYS 245 PRO 246 HIS 247 MET 248 THR 249 GLU 250 ASP 251 ASN 252 LYS 253 ASP 254 LEU 255 ILE 256 GLN 257 GLY 258 LYS 259 ASP 260 LEU 261 LEU 262 ILE 263 ALA 264 TYR 265 TYR 266 ASP 267 VAL 268 ASP 269 TYR 270 GLU 271 LYS 272 ASN 273 ALA 274 LYS 275 GLY 276 SER 277 ASN 278 TYR 279 TRP 280 ARG 281 ASN 282 ARG 283 VAL 284 MET 285 MET 286 VAL 287 ALA 288 LYS 289 LYS 290 PHE 291 LEU 292 ASP 293 ALA 294 GLY 295 HIS 296 LYS 297 LEU 298 ASN 299 PHE 300 ALA 301 VAL 302 ALA 303 SER 304 ARG 305 LYS 306 THR 307 PHE 308 SER 309 HIS 310 GLU 311 LEU 312 SER 313 ASP 314 PHE 315 GLY 316 LEU 317 GLU 318 SER 319 THR 320 ALA 321 GLY 322 GLU 323 ILE 324 PRO 325 VAL 326 VAL 327 ALA 328 ILE 329 ARG 330 THR 331 ALA 332 LYS 333 GLY 334 GLU 335 LYS 336 PHE 337 VAL 338 MET 339 GLN 340 GLU 341 GLU 342 PHE 343 SER 344 ARG 345 ASP 346 GLY 347 LYS 348 ALA 349 LEU 350 GLU 351 ARG 352 PHE 353 LEU 354 GLN 355 ASP 356 TYR 357 PHE 358 ASP 359 GLY 360 ASN 361 LEU 362 LYS 363 ARG 364 TYR 365 LEU 366 LYS 367 SER 368 GLU 369 PRO 370 ILE 371 PRO 372 GLU 373 SER 374 ASN 375 ASP 376 GLY 377 PRO 378 VAL 379 LYS 380 VAL 381 VAL 382 VAL 383 ALA 384 GLU 385 ASN 386 PHE 387 ASP 388 GLU 389 ILE 390 VAL 391 ASN 392 ASN 393 GLU 394 ASN 395 LYS 396 ASP 397 VAL 398 LEU 399 ILE 400 GLU 401 PHE 402 TYR 403 ALA 404 PRO 405 TRP 406 CYS 407 GLY 408 HIS 409 CYS 410 LYS 411 ASN 412 LEU 413 GLU 414 PRO 415 LYS 416 TYR 417 LYS 418 GLU 419 LEU 420 GLY 421 GLU 422 LYS 423 LEU 424 SER 425 LYS 426 ASP 427 PRO 428 ASN 429 ILE 430 VAL 431 ILE 432 ALA 433 LYS 434 MET 435 ASP 436 ALA 437 THR 438 ALA 439 ASN 440 ASP 441 VAL 442 PRO 443 SER 444 PRO 445 TYR 446 GLU 447 VAL 448 ARG 449 GLY 450 PHE 451 PRO 452 THR 453 ILE 454 TYR 455 PHE 456 SER 457 PRO 458 ALA 459 ASN 460 LYS 461 LYS 462 LEU 463 ASN 464 PRO 465 LYS 466 LYS 467 TYR 468 GLU 469 GLY 470 GLY 471 ARG 472 GLU 473 LEU 474 SER 475 ASP 476 PHE 477 ILE 478 SER 479 TYR 480 LEU 481 GLN 482 ARG 483 GLU 484 ALA 485 THR 486 ASN 487 PRO 488 PRO 489 VAL 490 ILE 491 GLN 492 GLU 493 GLU 494 LYS 495 PRO 496 LYS 497 LYS 498 LYS 499 LYS 500 LYS 501 ALA 502 GLN 503 GLU 504 ASP 505 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 3F8U "TapasinERP57 HETERODIMER" 95.25 481 99.79 99.79 0.00e+00 DBJ BAA03759 "phospholipase C-alpha [Homo sapiens]" 100.00 505 99.01 99.41 0.00e+00 DBJ BAA11928 "ER-60 protease [Homo sapiens]" 100.00 505 99.60 99.60 0.00e+00 DBJ BAI45467 "protein disulfide isomerase family A, member 3 [synthetic construct]" 100.00 505 100.00 100.00 0.00e+00 DBJ BAK62544 "protein disulfide-isomerase A3 precursor [Pan troglodytes]" 100.00 505 100.00 100.00 0.00e+00 EMBL CAA89996 "protein disulfide isomerase [Homo sapiens]" 100.00 505 99.60 99.60 0.00e+00 EMBL CAH90193 "hypothetical protein [Pongo abelii]" 100.00 505 100.00 100.00 0.00e+00 GB AAB37397 "H-ERp60=protein disulphide isomerase isoform/multifunctional endoplasmic reticulum luminal polypeptide [human, heart, Peptide, " 100.00 505 100.00 100.00 0.00e+00 GB AAC50331 "P58 [Homo sapiens]" 100.00 505 100.00 100.00 0.00e+00 GB AAC51518 "ER-60 protein [Homo sapiens]" 100.00 505 99.80 100.00 0.00e+00 GB AAH14433 "Protein disulfide isomerase family A, member 3 [Homo sapiens]" 100.00 505 100.00 100.00 0.00e+00 GB AAH36000 "Protein disulfide isomerase family A, member 3 [Homo sapiens]" 100.00 505 100.00 100.00 0.00e+00 PRF 2201310A "microsomal protein P58" 100.00 505 100.00 100.00 0.00e+00 PRF 2209333A "protein disulfide isomerase" 100.00 505 99.60 99.60 0.00e+00 REF NP_001127250 "protein disulfide-isomerase A3 precursor [Pongo abelii]" 100.00 505 100.00 100.00 0.00e+00 REF NP_001162437 "protein disulfide-isomerase A3 precursor [Papio anubis]" 100.00 505 99.21 99.80 0.00e+00 REF NP_001182645 "protein disulfide-isomerase A3 precursor [Macaca mulatta]" 100.00 505 99.21 99.80 0.00e+00 REF NP_001233381 "protein disulfide-isomerase A3 precursor [Pan troglodytes]" 100.00 505 100.00 100.00 0.00e+00 REF NP_005304 "protein disulfide-isomerase A3 precursor [Homo sapiens]" 100.00 505 100.00 100.00 0.00e+00 SP P30101 "RecName: Full=Protein disulfide-isomerase A3; AltName: Full=58 kDa glucose-regulated protein; AltName: Full=58 kDa microsomal p" 100.00 505 100.00 100.00 0.00e+00 SP Q4VIT4 "RecName: Full=Protein disulfide-isomerase A3; AltName: Full=Endoplasmic reticulum resident protein 57; Short=ER protein 57; Sho" 100.00 505 99.21 99.80 0.00e+00 SP Q5RDG4 "RecName: Full=Protein disulfide-isomerase A3; Flags: Precursor [Pongo abelii]" 100.00 505 100.00 100.00 0.00e+00 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CRT Human 9606 Eukaryota Metaoza Homo sapiens $ERp57 Human 9606 Eukaryota Metaoza Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $ERp57 'recombinant technology' . Escherichia coli BL21 DE3 pHisERp57 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'potassium dihydrogen phosphate' 100 mM 'natural abundance' 'sodium chloride' 25 mM 'natural abundance' beta-mercaptoethanol 10 mM 'natural abundance' $CRT 0.14 mM '[U-15N, U2H]' $ERp57 0.38 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'potassium dihydrogen phosphate' 100 mM 'natural abundance' 'sodium chloride' 25 mM 'natural abundance' beta-mercaptoethanol 10 mM 'natural abundance' $CRT 0.12 mM '[U-15N, U2H]' $ERp57 0.33 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'potassium dihydrogen phosphate' 100 mM 'natural abundance' 'sodium chloride' 25 mM 'natural abundance' beta-mercaptoethanol 10 mM 'natural abundance' $CRT 0.11 mM '[U-15N, U2H]' $ERp57 0.29 mM 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'potassium dihydrogen phosphate' 100 mM 'natural abundance' 'sodium chloride' 25 mM 'natural abundance' beta-mercaptoethanol 10 mM 'natural abundance' $CRT 0.1 mM '[U-15N, U2H]' $ERp57 0.26 mM 'natural abundance' stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'potassium dihydrogen phosphate' 100 mM 'natural abundance' 'sodium chloride' 25 mM 'natural abundance' beta-mercaptoethanol 10 mM 'natural abundance' $CRT 0.09 mM '[U-15N, U2H]' $ERp57 0.24 mM 'natural abundance' stop_ save_ save_sample_6 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'potassium dihydrogen phosphate' 100 mM 'natural abundance' 'sodium chloride' 25 mM 'natural abundance' beta-mercaptoethanol 10 mM 'natural abundance' $CRT 0.28 mM '[U-15N, U2H]' stop_ save_ save_sample_7 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'potassium dihydrogen phosphate' 100 mM 'natural abundance' 'sodium chloride' 25 mM 'natural abundance' beta-mercaptoethanol 10 mM 'natural abundance' $CRT 0.14 mM '[U-15N, U2H]' $ERp57 0.07 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_PROSA _Saveframe_category software _Name PROSA _Version . loop_ _Vendor _Address _Electronic_address 'Gintert, P., Dotsch, V., Wider,G . & WiithrichK, .' . . stop_ loop_ _Task processing stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_TROSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N TROSY' _Sample_label $sample_1 save_ save_1H-15N_TROSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N TROSY' _Sample_label $sample_2 save_ save_1H-15N_TROSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N TROSY' _Sample_label $sample_3 save_ save_1H-15N_TROSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N TROSY' _Sample_label $sample_4 save_ save_1H-15N_TROSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N TROSY' _Sample_label $sample_5 save_ save_1H-15N_TROSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N TROSY' _Sample_label $sample_6 save_ save_1H-15N_TROSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N TROSY' _Sample_label $sample_7 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 . pH pressure ambient . atm temperature 293 . K stop_ save_