data_25500 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone chemical shift assignments for the folded/unfolded drkN SH3 protein in the presence of DnaK chaperone at pH 7.2 ; _BMRB_accession_number 25500 _BMRB_flat_file_name bmr25500.str _Entry_type original _Submission_date 2015-02-23 _Accession_date 2015-02-23 _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 Lee 'Jung Ho' . . 2 Zhang Dongyu . . 3 Hughes Christopher . . 4 Okuno Yusuke . . 5 Sekhar Ashok . . 6 Cavagnero Silvia . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 3 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 117 "13C chemical shifts" 300 "15N chemical shifts" 117 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-07-22 update BMRB 'update entry citation' 2015-03-23 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 25501 'SH2-SH3 adapter protein drk' stop_ _Original_release_date 2015-03-23 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Heterogeneous binding of the SH3 client protein to the DnaK molecular chaperone ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26195753 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lee 'Jung Ho' . . 2 Zhang Dongyu . . 3 Hughes Christopher . . 4 Okuno Yusuke . . 5 Sekhar Ashok . . 6 Cavagnero Silvia . . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U. S. A.' _Journal_volume 112 _Journal_issue 31 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 4206 _Page_last 4215 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'SH2-SH3 adapter protein drk' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'drkN SH3, native' $drkN_SH3 'drkN SH3, unfolded' $drkN_SH3 DnaK_Chaperone $DnaK_Chaperone 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_drkN_SH3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common drkN_SH3 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 59 _Mol_residue_sequence ; MEAIAKHDFSATADDELSFR KTQILKILNMEDDSNWYRAE LDGKEGLIPSNYIEMKNHD ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 GLU 3 3 ALA 4 4 ILE 5 5 ALA 6 6 LYS 7 7 HIS 8 8 ASP 9 9 PHE 10 10 SER 11 11 ALA 12 12 THR 13 13 ALA 14 14 ASP 15 15 ASP 16 16 GLU 17 17 LEU 18 18 SER 19 19 PHE 20 20 ARG 21 21 LYS 22 22 THR 23 23 GLN 24 24 ILE 25 25 LEU 26 26 LYS 27 27 ILE 28 28 LEU 29 29 ASN 30 30 MET 31 31 GLU 32 32 ASP 33 33 ASP 34 34 SER 35 35 ASN 36 36 TRP 37 37 TYR 38 38 ARG 39 39 ALA 40 40 GLU 41 41 LEU 42 42 ASP 43 43 GLY 44 44 LYS 45 45 GLU 46 46 GLY 47 47 LEU 48 48 ILE 49 49 PRO 50 50 SER 51 51 ASN 52 52 TYR 53 53 ILE 54 54 GLU 55 55 MET 56 56 LYS 57 57 ASN 58 58 HIS 59 59 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_DnaK_Chaperone _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common DnaK_Chaperone _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 638 _Mol_residue_sequence ; MGKIIGIDLGTTNSCVAIMD GTTPRVLENAEGDRTTPSII AYTQDGETLVGQPAKRQAVT NPQNTLFAIKRLIGRRFQDE EVQRDVSIMPFKIIAADNGD AWVEVKGQKMAPPQISAEVL KKMKKTAEDYLGEPVTEAVI TVPAYFNDAQRQATKDAGRI AGLEVKRIINEPTAAALAYG LDKGTGNRTIAVYDLGGGTF DISIIEIDEVDGEKTFEVLA TNGDTHLGGEDFDSRLINYL VEEFKKDQGIDLRNDPLAMQ RLKEAAEKAKIELSSAQQTD VNLPYITADATGPKHMNIKV TRAKLESLVEDLVNRSIEPL KVALQDAGLSVSDIDDVILV GGQTRMPMVQKKVAEFFGKE PRKDVNPDEAVAIGAAVQGG VLTGDVKDVLLLDVTPLSLG IETMGGVMTTLIAKNTTIPT KHSQVFSTAEDNQSAVTIHV LQGERKRAADNKSLGQFNLD GINPAPRGMPQIEVTFDIDA DGILHVSAKDKNSGKEQKIT IKASSGLNEDEIQKMVRDAE ANAEADRKFEELVQTRNQGD HLLHSTRKQVEEAGDKLPAD DKTAIESALTALETALKGED KAAIEAKMQELAQVSQKLME IAQQQHAQQQTAGADASANN AKDDDVVDAEFEEVKDKK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 GLY 3 3 LYS 4 4 ILE 5 5 ILE 6 6 GLY 7 7 ILE 8 8 ASP 9 9 LEU 10 10 GLY 11 11 THR 12 12 THR 13 13 ASN 14 14 SER 15 15 CYS 16 16 VAL 17 17 ALA 18 18 ILE 19 19 MET 20 20 ASP 21 21 GLY 22 22 THR 23 23 THR 24 24 PRO 25 25 ARG 26 26 VAL 27 27 LEU 28 28 GLU 29 29 ASN 30 30 ALA 31 31 GLU 32 32 GLY 33 33 ASP 34 34 ARG 35 35 THR 36 36 THR 37 37 PRO 38 38 SER 39 39 ILE 40 40 ILE 41 41 ALA 42 42 TYR 43 43 THR 44 44 GLN 45 45 ASP 46 46 GLY 47 47 GLU 48 48 THR 49 49 LEU 50 50 VAL 51 51 GLY 52 52 GLN 53 53 PRO 54 54 ALA 55 55 LYS 56 56 ARG 57 57 GLN 58 58 ALA 59 59 VAL 60 60 THR 61 61 ASN 62 62 PRO 63 63 GLN 64 64 ASN 65 65 THR 66 66 LEU 67 67 PHE 68 68 ALA 69 69 ILE 70 70 LYS 71 71 ARG 72 72 LEU 73 73 ILE 74 74 GLY 75 75 ARG 76 76 ARG 77 77 PHE 78 78 GLN 79 79 ASP 80 80 GLU 81 81 GLU 82 82 VAL 83 83 GLN 84 84 ARG 85 85 ASP 86 86 VAL 87 87 SER 88 88 ILE 89 89 MET 90 90 PRO 91 91 PHE 92 92 LYS 93 93 ILE 94 94 ILE 95 95 ALA 96 96 ALA 97 97 ASP 98 98 ASN 99 99 GLY 100 100 ASP 101 101 ALA 102 102 TRP 103 103 VAL 104 104 GLU 105 105 VAL 106 106 LYS 107 107 GLY 108 108 GLN 109 109 LYS 110 110 MET 111 111 ALA 112 112 PRO 113 113 PRO 114 114 GLN 115 115 ILE 116 116 SER 117 117 ALA 118 118 GLU 119 119 VAL 120 120 LEU 121 121 LYS 122 122 LYS 123 123 MET 124 124 LYS 125 125 LYS 126 126 THR 127 127 ALA 128 128 GLU 129 129 ASP 130 130 TYR 131 131 LEU 132 132 GLY 133 133 GLU 134 134 PRO 135 135 VAL 136 136 THR 137 137 GLU 138 138 ALA 139 139 VAL 140 140 ILE 141 141 THR 142 142 VAL 143 143 PRO 144 144 ALA 145 145 TYR 146 146 PHE 147 147 ASN 148 148 ASP 149 149 ALA 150 150 GLN 151 151 ARG 152 152 GLN 153 153 ALA 154 154 THR 155 155 LYS 156 156 ASP 157 157 ALA 158 158 GLY 159 159 ARG 160 160 ILE 161 161 ALA 162 162 GLY 163 163 LEU 164 164 GLU 165 165 VAL 166 166 LYS 167 167 ARG 168 168 ILE 169 169 ILE 170 170 ASN 171 171 GLU 172 172 PRO 173 173 THR 174 174 ALA 175 175 ALA 176 176 ALA 177 177 LEU 178 178 ALA 179 179 TYR 180 180 GLY 181 181 LEU 182 182 ASP 183 183 LYS 184 184 GLY 185 185 THR 186 186 GLY 187 187 ASN 188 188 ARG 189 189 THR 190 190 ILE 191 191 ALA 192 192 VAL 193 193 TYR 194 194 ASP 195 195 LEU 196 196 GLY 197 197 GLY 198 198 GLY 199 199 THR 200 200 PHE 201 201 ASP 202 202 ILE 203 203 SER 204 204 ILE 205 205 ILE 206 206 GLU 207 207 ILE 208 208 ASP 209 209 GLU 210 210 VAL 211 211 ASP 212 212 GLY 213 213 GLU 214 214 LYS 215 215 THR 216 216 PHE 217 217 GLU 218 218 VAL 219 219 LEU 220 220 ALA 221 221 THR 222 222 ASN 223 223 GLY 224 224 ASP 225 225 THR 226 226 HIS 227 227 LEU 228 228 GLY 229 229 GLY 230 230 GLU 231 231 ASP 232 232 PHE 233 233 ASP 234 234 SER 235 235 ARG 236 236 LEU 237 237 ILE 238 238 ASN 239 239 TYR 240 240 LEU 241 241 VAL 242 242 GLU 243 243 GLU 244 244 PHE 245 245 LYS 246 246 LYS 247 247 ASP 248 248 GLN 249 249 GLY 250 250 ILE 251 251 ASP 252 252 LEU 253 253 ARG 254 254 ASN 255 255 ASP 256 256 PRO 257 257 LEU 258 258 ALA 259 259 MET 260 260 GLN 261 261 ARG 262 262 LEU 263 263 LYS 264 264 GLU 265 265 ALA 266 266 ALA 267 267 GLU 268 268 LYS 269 269 ALA 270 270 LYS 271 271 ILE 272 272 GLU 273 273 LEU 274 274 SER 275 275 SER 276 276 ALA 277 277 GLN 278 278 GLN 279 279 THR 280 280 ASP 281 281 VAL 282 282 ASN 283 283 LEU 284 284 PRO 285 285 TYR 286 286 ILE 287 287 THR 288 288 ALA 289 289 ASP 290 290 ALA 291 291 THR 292 292 GLY 293 293 PRO 294 294 LYS 295 295 HIS 296 296 MET 297 297 ASN 298 298 ILE 299 299 LYS 300 300 VAL 301 301 THR 302 302 ARG 303 303 ALA 304 304 LYS 305 305 LEU 306 306 GLU 307 307 SER 308 308 LEU 309 309 VAL 310 310 GLU 311 311 ASP 312 312 LEU 313 313 VAL 314 314 ASN 315 315 ARG 316 316 SER 317 317 ILE 318 318 GLU 319 319 PRO 320 320 LEU 321 321 LYS 322 322 VAL 323 323 ALA 324 324 LEU 325 325 GLN 326 326 ASP 327 327 ALA 328 328 GLY 329 329 LEU 330 330 SER 331 331 VAL 332 332 SER 333 333 ASP 334 334 ILE 335 335 ASP 336 336 ASP 337 337 VAL 338 338 ILE 339 339 LEU 340 340 VAL 341 341 GLY 342 342 GLY 343 343 GLN 344 344 THR 345 345 ARG 346 346 MET 347 347 PRO 348 348 MET 349 349 VAL 350 350 GLN 351 351 LYS 352 352 LYS 353 353 VAL 354 354 ALA 355 355 GLU 356 356 PHE 357 357 PHE 358 358 GLY 359 359 LYS 360 360 GLU 361 361 PRO 362 362 ARG 363 363 LYS 364 364 ASP 365 365 VAL 366 366 ASN 367 367 PRO 368 368 ASP 369 369 GLU 370 370 ALA 371 371 VAL 372 372 ALA 373 373 ILE 374 374 GLY 375 375 ALA 376 376 ALA 377 377 VAL 378 378 GLN 379 379 GLY 380 380 GLY 381 381 VAL 382 382 LEU 383 383 THR 384 384 GLY 385 385 ASP 386 386 VAL 387 387 LYS 388 388 ASP 389 389 VAL 390 390 LEU 391 391 LEU 392 392 LEU 393 393 ASP 394 394 VAL 395 395 THR 396 396 PRO 397 397 LEU 398 398 SER 399 399 LEU 400 400 GLY 401 401 ILE 402 402 GLU 403 403 THR 404 404 MET 405 405 GLY 406 406 GLY 407 407 VAL 408 408 MET 409 409 THR 410 410 THR 411 411 LEU 412 412 ILE 413 413 ALA 414 414 LYS 415 415 ASN 416 416 THR 417 417 THR 418 418 ILE 419 419 PRO 420 420 THR 421 421 LYS 422 422 HIS 423 423 SER 424 424 GLN 425 425 VAL 426 426 PHE 427 427 SER 428 428 THR 429 429 ALA 430 430 GLU 431 431 ASP 432 432 ASN 433 433 GLN 434 434 SER 435 435 ALA 436 436 VAL 437 437 THR 438 438 ILE 439 439 HIS 440 440 VAL 441 441 LEU 442 442 GLN 443 443 GLY 444 444 GLU 445 445 ARG 446 446 LYS 447 447 ARG 448 448 ALA 449 449 ALA 450 450 ASP 451 451 ASN 452 452 LYS 453 453 SER 454 454 LEU 455 455 GLY 456 456 GLN 457 457 PHE 458 458 ASN 459 459 LEU 460 460 ASP 461 461 GLY 462 462 ILE 463 463 ASN 464 464 PRO 465 465 ALA 466 466 PRO 467 467 ARG 468 468 GLY 469 469 MET 470 470 PRO 471 471 GLN 472 472 ILE 473 473 GLU 474 474 VAL 475 475 THR 476 476 PHE 477 477 ASP 478 478 ILE 479 479 ASP 480 480 ALA 481 481 ASP 482 482 GLY 483 483 ILE 484 484 LEU 485 485 HIS 486 486 VAL 487 487 SER 488 488 ALA 489 489 LYS 490 490 ASP 491 491 LYS 492 492 ASN 493 493 SER 494 494 GLY 495 495 LYS 496 496 GLU 497 497 GLN 498 498 LYS 499 499 ILE 500 500 THR 501 501 ILE 502 502 LYS 503 503 ALA 504 504 SER 505 505 SER 506 506 GLY 507 507 LEU 508 508 ASN 509 509 GLU 510 510 ASP 511 511 GLU 512 512 ILE 513 513 GLN 514 514 LYS 515 515 MET 516 516 VAL 517 517 ARG 518 518 ASP 519 519 ALA 520 520 GLU 521 521 ALA 522 522 ASN 523 523 ALA 524 524 GLU 525 525 ALA 526 526 ASP 527 527 ARG 528 528 LYS 529 529 PHE 530 530 GLU 531 531 GLU 532 532 LEU 533 533 VAL 534 534 GLN 535 535 THR 536 536 ARG 537 537 ASN 538 538 GLN 539 539 GLY 540 540 ASP 541 541 HIS 542 542 LEU 543 543 LEU 544 544 HIS 545 545 SER 546 546 THR 547 547 ARG 548 548 LYS 549 549 GLN 550 550 VAL 551 551 GLU 552 552 GLU 553 553 ALA 554 554 GLY 555 555 ASP 556 556 LYS 557 557 LEU 558 558 PRO 559 559 ALA 560 560 ASP 561 561 ASP 562 562 LYS 563 563 THR 564 564 ALA 565 565 ILE 566 566 GLU 567 567 SER 568 568 ALA 569 569 LEU 570 570 THR 571 571 ALA 572 572 LEU 573 573 GLU 574 574 THR 575 575 ALA 576 576 LEU 577 577 LYS 578 578 GLY 579 579 GLU 580 580 ASP 581 581 LYS 582 582 ALA 583 583 ALA 584 584 ILE 585 585 GLU 586 586 ALA 587 587 LYS 588 588 MET 589 589 GLN 590 590 GLU 591 591 LEU 592 592 ALA 593 593 GLN 594 594 VAL 595 595 SER 596 596 GLN 597 597 LYS 598 598 LEU 599 599 MET 600 600 GLU 601 601 ILE 602 602 ALA 603 603 GLN 604 604 GLN 605 605 GLN 606 606 HIS 607 607 ALA 608 608 GLN 609 609 GLN 610 610 GLN 611 611 THR 612 612 ALA 613 613 GLY 614 614 ALA 615 615 ASP 616 616 ALA 617 617 SER 618 618 ALA 619 619 ASN 620 620 ASN 621 621 ALA 622 622 LYS 623 623 ASP 624 624 ASP 625 625 ASP 626 626 VAL 627 627 VAL 628 628 ASP 629 629 ALA 630 630 GLU 631 631 PHE 632 632 GLU 633 633 GLU 634 634 VAL 635 635 LYS 636 636 ASP 637 637 LYS 638 638 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $drkN_SH3 'fruit fly' 7227 Eukaryota Metazoa Drosophila melanogaster stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $drkN_SH3 'recombinant technology' . Escherichia coli . pET-17b 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 $drkN_SH3 0.3 mM '[U-99% 13C; U-99% 15N]' TRIS 50 mM 'natural abundance' MgCl2 5 mM 'natural abundance' KCl 50 mM 'natural abundance' DTT 15 mM 'natural abundance' $DnaK_Chaperone 1.2 mM 'natural abundance' ADP 5 mM 'natural abundance' D2O 5 % 'natural abundance' H2O 95 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $drkN_SH3 0.3 mM '[U-99% 13C; U-99% 15N]' TRIS 50 mM 'natural abundance' MgCl2 5 mM 'natural abundance' KCl 50 mM 'natural abundance' DTT 15 mM 'natural abundance' $DnaK_Chaperone 1.2 mM 'natural abundance' ADP 5 mM 'natural abundance' D2O 5 % 'natural abundance' H2O 95 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Agilent _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC 1' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_1_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH 1' _Sample_label $sample_1 save_ save_3D_HNCACB_1_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB 1' _Sample_label $sample_1 save_ save_3D_HNCO_1_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO 1' _Sample_label $sample_1 save_ save_3D_(HCA)CO(CA)NH_1_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (HCA)CO(CA)NH 1' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_2_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC 2' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_2_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH 2' _Sample_label $sample_2 save_ save_3D_HNCACB_2_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB 2' _Sample_label $sample_2 save_ save_3D_HNCO_2_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO 2' _Sample_label $sample_2 save_ save_3D_(HCA)CO(CA)NH_2_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (HCA)CO(CA)NH 2' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_condition _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.2 . pH temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 external indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 external direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 external indirect . . . 0.101329118 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_drkN_SH3_free_folded_in_the_presence_of_DnaK _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC 1' '3D CBCA(CO)NH 1' '3D HNCACB 1' '3D HNCO 1' '3D (HCA)CO(CA)NH 1' '2D 1H-15N HSQC 2' '3D CBCA(CO)NH 2' '3D HNCACB 2' '3D HNCO 2' '3D (HCA)CO(CA)NH 2' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_condition _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name 'drkN SH3, native' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET C C 173.883 . 1 2 1 1 MET CA C 55.607 . 1 3 1 1 MET CB C 34.430 . 1 4 2 2 GLU H H 8.779 . 1 5 2 2 GLU C C 174.205 . 1 6 2 2 GLU CA C 55.220 . 1 7 2 2 GLU CB C 33.788 . 1 8 2 2 GLU N N 124.344 . 1 9 3 3 ALA H H 8.966 . 1 10 3 3 ALA C C 174.399 . 1 11 3 3 ALA CA C 50.440 . 1 12 3 3 ALA CB C 25.000 . 1 13 3 3 ALA N N 122.224 . 1 14 4 4 ILE H H 8.831 . 1 15 4 4 ILE C C 176.110 . 1 16 4 4 ILE CA C 59.218 . 1 17 4 4 ILE CB C 40.982 . 1 18 4 4 ILE N N 119.078 . 1 19 5 5 ALA H H 8.783 . 1 20 5 5 ALA C C 178.987 . 1 21 5 5 ALA CA C 52.927 . 1 22 5 5 ALA CB C 21.444 . 1 23 5 5 ALA N N 128.167 . 1 24 6 6 LYS H H 9.406 . 1 25 6 6 LYS C C 174.410 . 1 26 6 6 LYS CA C 56.477 . 1 27 6 6 LYS CB C 33.185 . 1 28 6 6 LYS N N 126.020 . 1 29 7 7 HIS H H 7.467 . 1 30 7 7 HIS C C 173.018 . 1 31 7 7 HIS CA C 53.747 . 1 32 7 7 HIS CB C 34.891 . 1 33 7 7 HIS N N 114.155 . 1 34 8 8 ASP H H 8.532 . 1 35 8 8 ASP C C 175.724 . 1 36 8 8 ASP CA C 54.828 . 1 37 8 8 ASP CB C 41.717 . 1 38 8 8 ASP N N 119.236 . 1 39 9 9 PHE H H 8.553 . 1 40 9 9 PHE C C 173.636 . 1 41 9 9 PHE CB C 43.070 . 1 42 9 9 PHE N N 121.321 . 1 43 10 10 SER H H 7.633 . 1 44 10 10 SER C C 171.612 . 1 45 10 10 SER CA C 55.684 . 1 46 10 10 SER CB C 63.478 . 1 47 10 10 SER N N 123.633 . 1 48 11 11 ALA H H 8.257 . 1 49 11 11 ALA C C 178.483 . 1 50 11 11 ALA CA C 52.941 . 1 51 11 11 ALA CB C 20.915 . 1 52 11 11 ALA N N 127.553 . 1 53 12 12 THR H H 9.096 . 1 54 12 12 THR C C 173.474 . 1 55 12 12 THR CA C 61.853 . 1 56 12 12 THR CB C 70.194 . 1 57 12 12 THR N N 113.708 . 1 58 13 13 ALA H H 7.540 . 1 59 13 13 ALA C C 178.256 . 1 60 13 13 ALA CA C 50.749 . 1 61 13 13 ALA CB C 22.289 . 1 62 13 13 ALA N N 124.052 . 1 63 14 14 ASP H H 8.604 . 1 64 14 14 ASP C C 176.108 . 1 65 14 14 ASP CA C 56.541 . 1 66 14 14 ASP CB C 40.672 . 1 67 14 14 ASP N N 119.037 . 1 68 15 15 ASP H H 8.249 . 1 69 15 15 ASP C C 176.170 . 1 70 15 15 ASP CA C 53.247 . 1 71 15 15 ASP CB C 40.035 . 1 72 15 15 ASP N N 114.695 . 1 73 16 16 GLU H H 7.416 . 1 74 16 16 GLU C C 175.211 . 1 75 16 16 GLU CA C 55.250 . 1 76 16 16 GLU CB C 33.114 . 1 77 16 16 GLU N N 119.380 . 1 78 17 17 LEU H H 8.551 . 1 79 17 17 LEU C C 174.403 . 1 80 17 17 LEU CA C 53.635 . 1 81 17 17 LEU CB C 45.468 . 1 82 17 17 LEU N N 124.741 . 1 83 18 18 SER H H 7.860 . 1 84 18 18 SER C C 173.807 . 1 85 18 18 SER CA C 58.969 . 1 86 18 18 SER CB C 64.780 . 1 87 18 18 SER N N 117.564 . 1 88 19 19 PHE H H 8.675 . 1 89 19 19 PHE C C 173.891 . 1 90 19 19 PHE CA C 56.817 . 1 91 19 19 PHE CB C 40.678 . 1 92 19 19 PHE N N 114.662 . 1 93 21 21 LYS H H 9.227 . 1 94 21 21 LYS C C 177.355 . 1 95 21 21 LYS CA C 58.188 . 1 96 21 21 LYS CB C 33.342 . 1 97 21 21 LYS N N 120.427 . 1 98 22 22 THR H H 8.810 . 1 99 22 22 THR C C 173.460 . 1 100 22 22 THR CA C 66.554 . 1 101 22 22 THR CB C 69.409 . 1 102 22 22 THR N N 117.088 . 1 103 23 23 GLN H H 8.188 . 1 104 23 23 GLN C C 174.204 . 1 105 23 23 GLN CA C 58.945 . 1 106 23 23 GLN CB C 30.133 . 1 107 23 23 GLN N N 120.654 . 1 108 24 24 ILE H H 8.180 . 1 109 24 24 ILE C C 175.776 . 1 110 24 24 ILE CA C 59.741 . 1 111 24 24 ILE CB C 37.865 . 1 112 24 24 ILE N N 120.477 . 1 113 25 25 LEU H H 9.087 . 1 114 25 25 LEU C C 175.437 . 1 115 25 25 LEU CB C 44.776 . 1 116 25 25 LEU N N 127.959 . 1 117 26 26 LYS H H 8.233 . 1 118 26 26 LYS C C 175.916 . 1 119 26 26 LYS CA C 55.350 . 1 120 26 26 LYS CB C 33.120 . 1 121 26 26 LYS N N 121.901 . 1 122 27 27 ILE H H 8.555 . 1 123 27 27 ILE C C 175.648 . 1 124 27 27 ILE CA C 59.219 . 1 125 27 27 ILE CB C 35.686 . 1 126 27 27 ILE N N 124.677 . 1 127 28 28 LEU H H 9.228 . 1 128 28 28 LEU C C 177.339 . 1 129 28 28 LEU CA C 55.519 . 1 130 28 28 LEU CB C 42.701 . 1 131 28 28 LEU N N 128.468 . 1 132 29 29 ASN H H 7.635 . 1 133 29 29 ASN C C 173.562 . 1 134 29 29 ASN CA C 54.146 . 1 135 29 29 ASN CB C 41.311 . 1 136 29 29 ASN N N 114.064 . 1 137 30 30 MET H H 8.815 . 1 138 30 30 MET C C 174.647 . 1 139 30 30 MET CA C 55.161 . 1 140 30 30 MET CB C 33.200 . 1 141 30 30 MET N N 123.433 . 1 142 31 31 GLU H H 8.111 . 1 143 31 31 GLU C C 176.754 . 1 144 31 31 GLU CB C 31.225 . 1 145 31 31 GLU N N 121.336 . 1 146 32 32 ASP H H 8.425 . 1 147 32 32 ASP C C 176.421 . 1 148 32 32 ASP CA C 56.525 . 1 149 32 32 ASP CB C 41.188 . 1 150 32 32 ASP N N 121.231 . 1 151 33 33 ASP H H 8.253 . 1 152 33 33 ASP C C 175.457 . 1 153 33 33 ASP CA C 54.142 . 1 154 33 33 ASP N N 118.988 . 1 155 34 34 SER H H 8.181 . 1 156 34 34 SER C C 174.943 . 1 157 34 34 SER CA C 59.230 . 1 158 34 34 SER CB C 64.208 . 1 159 34 34 SER N N 115.845 . 1 160 35 35 ASN H H 8.916 . 1 161 35 35 ASN C C 174.627 . 1 162 35 35 ASN CA C 54.179 . 1 163 35 35 ASN N N 119.377 . 1 164 36 36 TRP H H 7.995 . 1 165 36 36 TRP C C 174.973 . 1 166 36 36 TRP CA C 56.053 . 1 167 36 36 TRP CB C 31.849 . 1 168 36 36 TRP N N 121.330 . 1 169 37 37 TYR H H 8.970 . 1 170 37 37 TYR C C 175.353 . 1 171 37 37 TYR CA C 52.931 . 1 172 37 37 TYR CB C 39.784 . 1 173 37 37 TYR N N 120.595 . 1 174 38 38 ARG H H 8.727 . 1 175 38 38 ARG CA C 56.456 . 1 176 38 38 ARG CB C 31.579 . 1 177 38 38 ARG N N 121.299 . 1 178 40 40 GLU C C 174.804 . 1 179 40 40 GLU CA C 54.529 . 1 180 40 40 GLU CB C 34.197 . 1 181 41 41 LEU H H 8.923 . 1 182 41 41 LEU C C 175.920 . 1 183 41 41 LEU CA C 54.956 . 1 184 41 41 LEU CB C 45.970 . 1 185 41 41 LEU N N 125.829 . 1 186 42 42 ASP H H 9.648 . 1 187 42 42 ASP C C 175.764 . 1 188 42 42 ASP CA C 55.560 . 1 189 42 42 ASP CB C 39.872 . 1 190 42 42 ASP N N 129.600 . 1 191 43 43 GLY H H 9.159 . 1 192 43 43 GLY C C 173.827 . 1 193 43 43 GLY CA C 45.586 . 1 194 43 43 GLY N N 104.728 . 1 195 44 44 LYS H H 7.928 . 1 196 44 44 LYS C C 174.019 . 1 197 44 44 LYS CA C 54.928 . 1 198 44 44 LYS CB C 34.663 . 1 199 44 44 LYS N N 122.517 . 1 200 45 45 GLU H H 8.446 . 1 201 45 45 GLU C C 177.013 . 1 202 45 45 GLU CA C 53.851 . 1 203 45 45 GLU CB C 33.676 . 1 204 45 45 GLU N N 120.525 . 1 205 46 46 GLY H H 8.853 . 1 206 46 46 GLY C C 170.702 . 1 207 46 46 GLY CA C 45.558 . 1 208 46 46 GLY N N 107.954 . 1 209 47 47 LEU H H 9.254 . 1 210 47 47 LEU C C 177.635 . 1 211 47 47 LEU CA C 54.870 . 1 212 47 47 LEU CB C 44.585 . 1 213 47 47 LEU N N 120.499 . 1 214 48 48 ILE H H 9.396 . 1 215 48 48 ILE CA C 56.819 . 1 216 48 48 ILE CB C 40.990 . 1 217 48 48 ILE N N 112.545 . 1 218 49 49 PRO C C 178.857 . 1 219 49 49 PRO CA C 60.814 . 1 220 49 49 PRO CB C 30.180 . 1 221 50 50 SER H H 7.861 . 1 222 50 50 SER C C 175.154 . 1 223 50 50 SER CA C 60.438 . 1 224 50 50 SER CB C 62.477 . 1 225 50 50 SER N N 119.802 . 1 226 51 51 ASN H H 8.373 . 1 227 51 51 ASN C C 175.842 . 1 228 51 51 ASN CA C 53.682 . 1 229 51 51 ASN CB C 36.497 . 1 230 51 51 ASN N N 115.170 . 1 231 52 52 TYR H H 7.704 . 1 232 52 52 TYR C C 174.829 . 1 233 52 52 TYR CA C 58.180 . 1 234 52 52 TYR CB C 38.967 . 1 235 52 52 TYR N N 119.037 . 1 236 53 53 ILE H H 7.222 . 1 237 53 53 ILE C C 173.815 . 1 238 53 53 ILE CA C 58.531 . 1 239 53 53 ILE CB C 41.972 . 1 240 53 53 ILE N N 110.765 . 1 241 54 54 GLU H H 8.745 . 1 242 54 54 GLU C C 175.679 . 1 243 54 54 GLU CA C 54.464 . 1 244 54 54 GLU CB C 32.931 . 1 245 54 54 GLU N N 120.331 . 1 246 55 55 MET H H 8.986 . 1 247 55 55 MET C C 176.515 . 1 248 55 55 MET CA C 55.381 . 1 249 55 55 MET CB C 31.743 . 1 250 55 55 MET N N 125.190 . 1 251 56 56 LYS H H 8.665 . 1 252 56 56 LYS CA C 56.078 . 1 253 56 56 LYS CB C 33.154 . 1 254 56 56 LYS N N 123.924 . 1 stop_ save_ save_assigned_chem_shift_list_drkN_SH3_free_and_bound_unfolded-like_in_the_presence_of_DnaK _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC 1' '3D CBCA(CO)NH 1' '3D HNCACB 1' '3D HNCO 1' '3D (HCA)CO(CA)NH 1' '2D 1H-15N HSQC 2' '3D CBCA(CO)NH 2' '3D HNCACB 2' '3D HNCO 2' '3D (HCA)CO(CA)NH 2' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_condition _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name 'drkN SH3, unfolded' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 GLU C C 175.789 . 1 2 2 2 GLU CA C 57.668 . 1 3 2 2 GLU CB C 30.573 . 1 4 3 3 ALA H H 8.491 . 1 5 3 3 ALA C C 177.904 . 1 6 3 3 ALA CA C 52.468 . 1 7 3 3 ALA CB C 19.311 . 1 8 3 3 ALA N N 125.900 . 1 9 4 4 ILE H H 8.101 . 1 10 4 4 ILE C C 175.876 . 1 11 4 4 ILE CA C 60.876 . 1 12 4 4 ILE CB C 38.836 . 1 13 4 4 ILE N N 120.453 . 1 14 5 5 ALA H H 8.349 . 1 15 5 5 ALA C C 177.275 . 1 16 5 5 ALA CA C 52.274 . 1 17 5 5 ALA CB C 19.276 . 1 18 5 5 ALA N N 128.497 . 1 19 6 6 LYS H H 8.225 . 1 20 6 6 LYS CA C 56.228 . 1 21 6 6 LYS CB C 33.262 . 1 22 6 6 LYS N N 121.020 . 1 23 7 7 HIS C C 174.625 . 1 24 7 7 HIS CA C 55.943 . 1 25 7 7 HIS CB C 30.358 . 1 26 8 8 ASP H H 8.214 . 1 27 8 8 ASP C C 175.908 . 1 28 8 8 ASP CA C 53.988 . 1 29 8 8 ASP CB C 41.183 . 1 30 8 8 ASP N N 121.408 . 1 31 9 9 PHE H H 8.275 . 1 32 9 9 PHE C C 175.864 . 1 33 9 9 PHE CA C 58.025 . 1 34 9 9 PHE CB C 39.419 . 1 35 9 9 PHE N N 121.284 . 1 36 10 10 SER H H 8.246 . 1 37 10 10 SER C C 174.155 . 1 38 10 10 SER CA C 58.518 . 1 39 10 10 SER CB C 63.849 . 1 40 10 10 SER N N 117.388 . 1 41 11 11 ALA H H 8.241 . 1 42 11 11 ALA C C 177.863 . 1 43 11 11 ALA CA C 52.731 . 1 44 11 11 ALA CB C 19.462 . 1 45 11 11 ALA N N 126.132 . 1 46 12 12 THR H H 8.105 . 1 47 12 12 THR C C 174.497 . 1 48 12 12 THR CA C 61.690 . 1 49 12 12 THR CB C 69.904 . 1 50 12 12 THR N N 112.824 . 1 51 13 13 ALA H H 8.298 . 1 52 13 13 ALA C C 177.716 . 1 53 13 13 ALA CA C 52.862 . 1 54 13 13 ALA CB C 19.427 . 1 55 13 13 ALA N N 126.168 . 1 56 14 14 ASP H H 8.263 . 1 57 14 14 ASP C C 176.477 . 1 58 14 14 ASP CA C 54.868 . 1 59 14 14 ASP CB C 41.127 . 1 60 14 14 ASP N N 119.490 . 1 61 15 15 ASP H H 8.217 . 1 62 15 15 ASP C C 176.928 . 1 63 15 15 ASP CA C 54.856 . 1 64 15 15 ASP CB C 41.118 . 1 65 15 15 ASP N N 120.540 . 1 66 16 16 GLU H H 8.337 . 1 67 16 16 GLU C C 177.019 . 1 68 16 16 GLU CA C 57.785 . 1 69 16 16 GLU CB C 29.876 . 1 70 16 16 GLU N N 121.000 . 1 71 17 17 LEU H H 8.128 . 1 72 17 17 LEU C C 178.382 . 1 73 17 17 LEU CA C 56.385 . 1 74 17 17 LEU CB C 41.705 . 1 75 17 17 LEU N N 120.777 . 1 76 18 18 SER H H 8.097 . 1 77 18 18 SER C C 175.354 . 1 78 18 18 SER CA C 59.860 . 1 79 18 18 SER CB C 63.346 . 1 80 18 18 SER N N 115.208 . 1 81 19 19 PHE H H 8.069 . 1 82 19 19 PHE C C 176.498 . 1 83 19 19 PHE CB C 38.854 . 1 84 19 19 PHE N N 121.585 . 1 85 21 21 LYS C C 177.303 . 1 86 21 21 LYS CA C 57.581 . 1 87 21 21 LYS CB C 32.818 . 1 88 22 22 THR H H 7.996 . 1 89 22 22 THR C C 174.924 . 1 90 22 22 THR CA C 63.159 . 1 91 22 22 THR CB C 69.483 . 1 92 22 22 THR N N 113.998 . 1 93 23 23 GLN H H 8.158 . 1 94 23 23 GLN C C 176.246 . 1 95 23 23 GLN CA C 56.461 . 1 96 23 23 GLN N N 122.057 . 1 97 24 24 ILE H H 8.036 . 1 98 24 24 ILE C C 176.337 . 1 99 24 24 ILE CA C 61.712 . 1 100 24 24 ILE N N 121.535 . 1 101 25 25 LEU H H 8.134 . 1 102 25 25 LEU CA C 55.852 . 1 103 25 25 LEU N N 124.784 . 1 104 26 26 LYS C C 176.606 . 1 105 26 26 LYS CA C 55.125 . 1 106 26 26 LYS CB C 32.853 . 1 107 27 27 ILE H H 8.011 . 1 108 27 27 ILE C C 176.395 . 1 109 27 27 ILE CA C 61.509 . 1 110 27 27 ILE CB C 38.958 . 1 111 27 27 ILE N N 121.708 . 1 112 28 28 LEU H H 8.242 . 1 113 28 28 LEU C C 176.845 . 1 114 28 28 LEU CA C 55.348 . 1 115 28 28 LEU CB C 42.411 . 1 116 28 28 LEU N N 125.003 . 1 117 29 29 ASN H H 8.353 . 1 118 29 29 ASN C C 175.174 . 1 119 29 29 ASN CA C 53.941 . 1 120 29 29 ASN CB C 38.775 . 1 121 29 29 ASN N N 118.919 . 1 122 30 30 MET H H 8.319 . 1 123 30 30 MET C C 176.341 . 1 124 30 30 MET CA C 55.880 . 1 125 30 30 MET CB C 32.649 . 1 126 30 30 MET N N 120.785 . 1 127 31 31 GLU H H 8.413 . 1 128 31 31 GLU CA C 56.734 . 1 129 31 31 GLU CB C 30.217 . 1 130 31 31 GLU N N 120.789 . 1 131 33 33 ASP C C 176.871 . 1 132 33 33 ASP CA C 54.395 . 1 133 33 33 ASP CB C 41.107 . 1 134 34 34 SER H H 8.344 . 1 135 34 34 SER C C 174.941 . 1 136 34 34 SER CA C 59.640 . 1 137 34 34 SER CB C 63.551 . 1 138 34 34 SER N N 116.341 . 1 139 35 35 ASN H H 8.362 . 1 140 35 35 ASN C C 175.368 . 1 141 35 35 ASN CA C 53.794 . 1 142 35 35 ASN CB C 38.788 . 1 143 35 35 ASN N N 119.879 . 1 144 36 36 TRP H H 7.867 . 1 145 36 36 TRP C C 176.055 . 1 146 36 36 TRP CA C 57.739 . 1 147 36 36 TRP CB C 29.463 . 1 148 36 36 TRP N N 120.693 . 1 149 37 37 TYR H H 7.759 . 1 150 37 37 TYR C C 175.484 . 1 151 37 37 TYR CA C 58.437 . 1 152 37 37 TYR CB C 38.158 . 1 153 37 37 TYR N N 120.779 . 1 154 38 38 ARG H H 7.763 . 1 155 38 38 ARG C C 175.705 . 1 156 38 38 ARG CA C 55.916 . 1 157 38 38 ARG CB C 30.782 . 1 158 38 38 ARG N N 122.858 . 1 159 39 39 ALA H H 8.131 . 1 160 39 39 ALA C C 178.068 . 1 161 39 39 ALA CA C 53.280 . 1 162 39 39 ALA CB C 19.219 . 1 163 39 39 ALA N N 125.059 . 1 164 40 40 GLU H H 8.414 . 1 165 40 40 GLU C C 176.805 . 1 166 40 40 GLU CA C 56.908 . 1 167 40 40 GLU CB C 29.948 . 1 168 40 40 GLU N N 119.282 . 1 169 41 41 LEU H H 8.082 . 1 170 41 41 LEU CA C 55.383 . 1 171 41 41 LEU CB C 42.286 . 1 172 41 41 LEU N N 121.974 . 1 173 42 42 ASP C C 176.962 . 1 174 42 42 ASP CA C 54.656 . 1 175 42 42 ASP CB C 41.297 . 1 176 43 43 GLY H H 8.347 . 1 177 43 43 GLY C C 174.700 . 1 178 43 43 GLY CA C 45.771 . 1 179 43 43 GLY N N 109.332 . 1 180 44 44 LYS H H 8.135 . 1 181 44 44 LYS C C 176.819 . 1 182 44 44 LYS CA C 56.469 . 1 183 44 44 LYS CB C 32.919 . 1 184 44 44 LYS N N 120.462 . 1 185 45 45 GLU H H 8.532 . 1 186 45 45 GLU C C 176.962 . 1 187 45 45 GLU CA C 57.157 . 1 188 45 45 GLU CB C 30.040 . 1 189 45 45 GLU N N 121.234 . 1 190 46 46 GLY H H 8.375 . 1 191 46 46 GLY C C 173.856 . 1 192 46 46 GLY CA C 45.343 . 1 193 46 46 GLY N N 109.426 . 1 194 47 47 LEU H H 7.977 . 1 195 47 47 LEU C C 177.041 . 1 196 47 47 LEU CA C 55.082 . 1 197 47 47 LEU CB C 42.438 . 1 198 47 47 LEU N N 121.348 . 1 199 48 48 ILE H H 8.160 . 1 200 48 48 ILE CA C 58.450 . 1 201 48 48 ILE CB C 38.634 . 1 202 48 48 ILE N N 123.355 . 1 203 49 49 PRO C C 177.069 . 1 204 49 49 PRO CA C 63.274 . 1 205 49 49 PRO CB C 32.215 . 1 206 50 50 SER H H 8.417 . 1 207 50 50 SER C C 176.070 . 1 208 50 50 SER CA C 59.165 . 1 209 50 50 SER CB C 63.365 . 1 210 50 50 SER N N 115.893 . 1 211 51 51 ASN H H 8.399 . 1 212 51 51 ASN C C 174.771 . 1 213 51 51 ASN CA C 53.161 . 1 214 51 51 ASN CB C 38.629 . 1 215 51 51 ASN N N 119.702 . 1 216 52 52 TYR H H 8.031 . 1 217 52 52 TYR C C 175.454 . 1 218 52 52 TYR CA C 58.506 . 1 219 52 52 TYR CB C 38.730 . 1 220 52 52 TYR N N 120.601 . 1 221 53 53 ILE H H 7.827 . 1 222 53 53 ILE C C 175.546 . 1 223 53 53 ILE CA C 60.899 . 1 224 53 53 ILE N N 123.317 . 1 225 54 54 GLU H H 8.272 . 1 226 54 54 GLU C C 176.295 . 1 227 54 54 GLU CA C 56.561 . 1 228 54 54 GLU CB C 30.389 . 1 229 54 54 GLU N N 124.622 . 1 230 55 55 MET H H 8.318 . 1 231 55 55 MET CA C 55.758 . 1 232 55 55 MET CB C 32.724 . 1 233 55 55 MET N N 122.526 . 1 234 56 56 LYS H H 8.300 . 1 235 56 56 LYS CA C 56.253 . 1 236 56 56 LYS CB C 33.044 . 1 237 56 56 LYS N N 122.558 . 1 stop_ save_ save_assigned_chem_shift_list_drkN_SH3_bound_new_resonances_in_the_presence_of_DnaK _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC 1' '3D CBCA(CO)NH 1' '3D HNCACB 1' '3D HNCO 1' '3D (HCA)CO(CA)NH 1' '2D 1H-15N HSQC 2' '3D CBCA(CO)NH 2' '3D HNCACB 2' '3D HNCO 2' '3D (HCA)CO(CA)NH 2' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_condition _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name 'drkN SH3, native' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 12 12 THR H H 8.109 . 1 2 12 12 THR N N 112.954 . 1 3 12 12 THR H H 8.129 . 1 4 12 12 THR N N 113.217 . 1 5 12 12 THR H H 8.130 . 1 6 12 12 THR N N 113.381 . 1 7 13 13 ALA H H 8.334 . 1 8 13 13 ALA N N 126.414 . 1 9 13 13 ALA H H 8.246 . 1 10 13 13 ALA N N 126.394 . 1 11 13 13 ALA H H 8.294 . 1 12 13 13 ALA N N 126.393 . 1 13 18 18 SER H H 8.050 . 1 14 18 18 SER CA C 59.750 . 1 15 18 18 SER N N 115.176 . 1 16 28 28 LEU H H 8.229 . 1 17 28 28 LEU N N 124.774 . 1 18 34 34 SER H H 8.308 . 1 19 34 34 SER N N 116.222 . 1 20 36 36 TRP H H 7.852 . 1 21 36 36 TRP N N 120.828 . 1 22 37 37 TYR H H 7.710 . 1 23 37 37 TYR CA C 58.170 . 1 24 37 37 TYR N N 120.547 . 1 25 38 38 ARG H H 7.737 . 1 26 38 38 ARG CA C 58.310 . 1 27 38 38 ARG N N 122.726 . 1 28 38 38 ARG H H 7.747 . 1 29 38 38 ARG N N 123.005 . 1 30 39 39 ALA H H 8.138 . 1 31 39 39 ALA N N 125.260 . 1 32 40 40 GLU H H 8.419 . 1 33 40 40 GLU N N 119.465 . 1 34 41 41 LEU H H 8.106 . 1 35 41 41 LEU N N 122.169 . 1 36 48 48 ILE H H 8.169 . 1 37 48 48 ILE N N 123.514 . 1 38 53 53 ILE H H 7.835 . 1 39 53 53 ILE N N 123.480 . 1 40 54 54 GLU H H 8.204 . 1 41 54 54 GLU N N 124.490 . 1 42 54 54 GLU H H 8.227 . 1 43 54 54 GLU N N 124.618 . 1 stop_ save_