data_25359 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; BamA barrel in nanodiscs ; _BMRB_accession_number 25359 _BMRB_flat_file_name bmr25359.str _Entry_type original _Submission_date 2014-11-20 _Accession_date 2014-11-20 _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 Morgado Leonor . . 2 Hiller Sebastian . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 20 "13C chemical shifts" 41 "15N chemical shifts" 20 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-08-19 update BMRB 'update entry citation' 2015-02-06 original author 'original release' stop_ _Original_release_date 2015-08-19 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Characterization of the insertase BamA in three different membrane mimetics by solution NMR spectroscopy ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25638436 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Morgado Leonor . . 2 Zeth Kornelius . . 3 Burmann Bjoern M. . 4 Maier Timm . . 5 Hiller Sebastian . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 61 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 333 _Page_last 345 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name BamA _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'BamA transmembrane domain' $BamA 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_BamA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common BamA _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 411 _Mol_residue_sequence ; MGSSHHHHHHSSGENLYFQH MRNTGSFNFGIGYGTESGVS FQAGVQQDNWLGTGYAVGIN GTKNDYQTYAELSVTNPYFT VDGVSLGGRLFYNDFQADDA DLSDYTNKSYGTDVTLGFPI NEYNSLRAGLGYVHNSLSNM QPQVAMWRYLYSMGEHPSTS DQDNSFKTDDFTFNYGWTYN KLDRGYFPTDGSRVNLTGKV TIPGSDNEYYKVTLDTATYV PIDDDHKWVVLGRTRWGYGD GLGGKEMPFYENFYAGGSST VRGFQSNTIGPKAVYFPHQA SNYDPDYDYESATQDGAKDL SKSDDAVGGNAMAVASLEFI TPTPFISDKYANSVRTSFFW DMGTVWDTNWDSSQYSGYPD YSDPSNIRMSAGIALQWMSP LGPLVFSYAQPFKKYDGDKA EQFQFNIGKTW ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 400 MET 2 401 GLY 3 402 SER 4 403 SER 5 404 HIS 6 405 HIS 7 406 HIS 8 407 HIS 9 408 HIS 10 409 HIS 11 410 SER 12 411 SER 13 412 GLY 14 413 GLU 15 414 ASN 16 415 LEU 17 416 TYR 18 417 PHE 19 418 GLN 20 419 HIS 21 420 MET 22 421 ARG 23 422 ASN 24 423 THR 25 424 GLY 26 425 SER 27 426 PHE 28 427 ASN 29 428 PHE 30 429 GLY 31 430 ILE 32 431 GLY 33 432 TYR 34 433 GLY 35 434 THR 36 435 GLU 37 436 SER 38 437 GLY 39 438 VAL 40 439 SER 41 440 PHE 42 441 GLN 43 442 ALA 44 443 GLY 45 444 VAL 46 445 GLN 47 446 GLN 48 447 ASP 49 448 ASN 50 449 TRP 51 450 LEU 52 451 GLY 53 452 THR 54 453 GLY 55 454 TYR 56 455 ALA 57 456 VAL 58 457 GLY 59 458 ILE 60 459 ASN 61 460 GLY 62 461 THR 63 462 LYS 64 463 ASN 65 464 ASP 66 465 TYR 67 466 GLN 68 467 THR 69 468 TYR 70 469 ALA 71 470 GLU 72 471 LEU 73 472 SER 74 473 VAL 75 474 THR 76 475 ASN 77 476 PRO 78 477 TYR 79 478 PHE 80 479 THR 81 480 VAL 82 481 ASP 83 482 GLY 84 483 VAL 85 484 SER 86 485 LEU 87 486 GLY 88 487 GLY 89 488 ARG 90 489 LEU 91 490 PHE 92 491 TYR 93 492 ASN 94 493 ASP 95 494 PHE 96 495 GLN 97 496 ALA 98 497 ASP 99 498 ASP 100 499 ALA 101 500 ASP 102 501 LEU 103 502 SER 104 503 ASP 105 504 TYR 106 505 THR 107 506 ASN 108 507 LYS 109 508 SER 110 509 TYR 111 510 GLY 112 511 THR 113 512 ASP 114 513 VAL 115 514 THR 116 515 LEU 117 516 GLY 118 517 PHE 119 518 PRO 120 519 ILE 121 520 ASN 122 521 GLU 123 522 TYR 124 523 ASN 125 524 SER 126 525 LEU 127 526 ARG 128 527 ALA 129 528 GLY 130 529 LEU 131 530 GLY 132 531 TYR 133 532 VAL 134 533 HIS 135 534 ASN 136 535 SER 137 536 LEU 138 537 SER 139 538 ASN 140 539 MET 141 540 GLN 142 541 PRO 143 542 GLN 144 543 VAL 145 544 ALA 146 545 MET 147 546 TRP 148 547 ARG 149 548 TYR 150 549 LEU 151 550 TYR 152 551 SER 153 552 MET 154 553 GLY 155 554 GLU 156 555 HIS 157 556 PRO 158 557 SER 159 558 THR 160 559 SER 161 560 ASP 162 561 GLN 163 562 ASP 164 563 ASN 165 564 SER 166 565 PHE 167 566 LYS 168 567 THR 169 568 ASP 170 569 ASP 171 570 PHE 172 571 THR 173 572 PHE 174 573 ASN 175 574 TYR 176 575 GLY 177 576 TRP 178 577 THR 179 578 TYR 180 579 ASN 181 580 LYS 182 581 LEU 183 582 ASP 184 583 ARG 185 584 GLY 186 585 TYR 187 586 PHE 188 587 PRO 189 588 THR 190 589 ASP 191 590 GLY 192 591 SER 193 592 ARG 194 593 VAL 195 594 ASN 196 595 LEU 197 596 THR 198 597 GLY 199 598 LYS 200 599 VAL 201 600 THR 202 601 ILE 203 602 PRO 204 603 GLY 205 604 SER 206 605 ASP 207 606 ASN 208 607 GLU 209 608 TYR 210 609 TYR 211 610 LYS 212 611 VAL 213 612 THR 214 613 LEU 215 614 ASP 216 615 THR 217 616 ALA 218 617 THR 219 618 TYR 220 619 VAL 221 620 PRO 222 621 ILE 223 622 ASP 224 623 ASP 225 624 ASP 226 625 HIS 227 626 LYS 228 627 TRP 229 628 VAL 230 629 VAL 231 630 LEU 232 631 GLY 233 632 ARG 234 633 THR 235 634 ARG 236 635 TRP 237 636 GLY 238 637 TYR 239 638 GLY 240 639 ASP 241 640 GLY 242 641 LEU 243 642 GLY 244 643 GLY 245 644 LYS 246 645 GLU 247 646 MET 248 647 PRO 249 648 PHE 250 649 TYR 251 650 GLU 252 651 ASN 253 652 PHE 254 653 TYR 255 654 ALA 256 655 GLY 257 656 GLY 258 657 SER 259 658 SER 260 659 THR 261 660 VAL 262 661 ARG 263 662 GLY 264 663 PHE 265 664 GLN 266 665 SER 267 666 ASN 268 667 THR 269 668 ILE 270 669 GLY 271 670 PRO 272 671 LYS 273 672 ALA 274 673 VAL 275 674 TYR 276 675 PHE 277 676 PRO 278 677 HIS 279 678 GLN 280 679 ALA 281 680 SER 282 681 ASN 283 682 TYR 284 683 ASP 285 684 PRO 286 685 ASP 287 686 TYR 288 687 ASP 289 688 TYR 290 689 GLU 291 690 SER 292 691 ALA 293 692 THR 294 693 GLN 295 694 ASP 296 695 GLY 297 696 ALA 298 697 LYS 299 698 ASP 300 699 LEU 301 700 SER 302 701 LYS 303 702 SER 304 703 ASP 305 704 ASP 306 705 ALA 307 706 VAL 308 707 GLY 309 708 GLY 310 709 ASN 311 710 ALA 312 711 MET 313 712 ALA 314 713 VAL 315 714 ALA 316 715 SER 317 716 LEU 318 717 GLU 319 718 PHE 320 719 ILE 321 720 THR 322 721 PRO 323 722 THR 324 723 PRO 325 724 PHE 326 725 ILE 327 726 SER 328 727 ASP 329 728 LYS 330 729 TYR 331 730 ALA 332 731 ASN 333 732 SER 334 733 VAL 335 734 ARG 336 735 THR 337 736 SER 338 737 PHE 339 738 PHE 340 739 TRP 341 740 ASP 342 741 MET 343 742 GLY 344 743 THR 345 744 VAL 346 745 TRP 347 746 ASP 348 747 THR 349 748 ASN 350 749 TRP 351 750 ASP 352 751 SER 353 752 SER 354 753 GLN 355 754 TYR 356 755 SER 357 756 GLY 358 757 TYR 359 758 PRO 360 759 ASP 361 760 TYR 362 761 SER 363 762 ASP 364 763 PRO 365 764 SER 366 765 ASN 367 766 ILE 368 767 ARG 369 768 MET 370 769 SER 371 770 ALA 372 771 GLY 373 772 ILE 374 773 ALA 375 774 LEU 376 775 GLN 377 776 TRP 378 777 MET 379 778 SER 380 779 PRO 381 780 LEU 382 781 GLY 383 782 PRO 384 783 LEU 385 784 VAL 386 785 PHE 387 786 SER 388 787 TYR 389 788 ALA 390 789 GLN 391 790 PRO 392 791 PHE 393 792 LYS 394 793 LYS 395 794 TYR 396 795 ASP 397 796 GLY 398 797 ASP 399 798 LYS 400 799 ALA 401 800 GLU 402 801 GLN 403 802 PHE 404 803 GLN 405 804 PHE 406 805 ASN 407 806 ILE 408 807 GLY 409 808 LYS 410 809 THR 411 810 TRP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-14 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 4C4V "Structure Of The Outer Membrane Protein Insertase Bama With One Potra Domain" 96.35 464 97.47 97.98 0.00e+00 PDB 4N75 "Structural Basis Of Bama-mediate Outer Membrane Protein Biogenesis" 93.67 385 99.22 99.22 0.00e+00 DBJ BAA77852 "conserved hypothetical protein [Escherichia coli str. K12 substr. W3110]" 96.35 810 98.23 98.48 0.00e+00 DBJ BAB33602 "hypothetical protein [Escherichia coli O157:H7 str. Sakai]" 96.35 810 98.23 98.48 0.00e+00 DBJ BAG75700 "conserved hypothetical protein [Escherichia coli SE11]" 96.35 810 98.23 98.48 0.00e+00 DBJ BAI23538 "Omp85 family protein [Escherichia coli O26:H11 str. 11368]" 96.35 810 98.23 98.48 0.00e+00 DBJ BAI29053 "Omp85 family protein [Escherichia coli O103:H2 str. 12009]" 96.35 810 98.23 98.48 0.00e+00 EMBL CAP74746 "Outer membrane protein assembly factor yaet [Escherichia coli LF82]" 96.35 810 98.23 98.48 0.00e+00 EMBL CAQ30691 "BamA, subunit of Outer Membrane Protein Assembly Complex [Escherichia coli BL21(DE3)]" 96.35 810 98.23 98.48 0.00e+00 EMBL CAQ97064 "outer membrane protein assembly factor [Escherichia coli IAI1]" 96.35 810 98.23 98.48 0.00e+00 EMBL CAR01552 "outer membrane protein assembly factor [Escherichia coli S88]" 96.35 810 98.23 98.48 0.00e+00 EMBL CAR06402 "outer membrane protein assembly factor [Escherichia coli ED1a]" 96.35 810 98.23 98.48 0.00e+00 GB AAB08606 "hypothetical protein [Escherichia coli]" 96.35 810 98.23 98.48 0.00e+00 GB AAC73288 "BamABCDE complex OM biogenesis outer membrane pore-forming assembly factor [Escherichia coli str. K-12 substr. MG1655]" 96.35 810 98.23 98.48 0.00e+00 GB AAD23568 "outer membrane antigen Oma90 [Shigella flexneri]" 96.35 810 98.23 98.48 0.00e+00 GB AAG54479 "orf, hypothetical protein [Escherichia coli O157:H7 str. EDL933]" 96.35 810 98.23 98.48 0.00e+00 GB AAK64508 "putative outer membrane protein Vpr [Escherichia coli]" 96.35 810 97.73 97.98 0.00e+00 REF NP_308206 "outer membrane protein assembly factor YaeT [Escherichia coli O157:H7 str. Sakai]" 96.35 810 98.23 98.48 0.00e+00 REF NP_414719 "BamABCDE complex OM biogenesis outer membrane pore-forming assembly factor [Escherichia coli str. K-12 substr. MG1655]" 96.35 810 98.23 98.48 0.00e+00 REF NP_706122 "outer membrane protein assembly factor YaeT [Shigella flexneri 2a str. 301]" 96.35 810 98.23 98.48 0.00e+00 REF WP_001240878 "outer membrane protein assembly factor BamA [Escherichia coli]" 96.35 810 98.23 98.48 0.00e+00 REF WP_001240879 "outer membrane protein assembly factor BamA [Shigella dysenteriae]" 96.35 810 98.23 98.48 0.00e+00 SP A1A7M1 "RecName: Full=Outer membrane protein assembly factor BamA; Flags: Precursor" 96.35 810 97.98 98.23 0.00e+00 SP A7ZHR7 "RecName: Full=Outer membrane protein assembly factor BamA; Flags: Precursor" 96.35 810 98.23 98.48 0.00e+00 SP A7ZWC3 "RecName: Full=Outer membrane protein assembly factor BamA; Flags: Precursor" 96.35 810 98.23 98.48 0.00e+00 SP B1IQG4 "RecName: Full=Outer membrane protein assembly factor BamA; Flags: Precursor" 96.35 810 98.23 98.48 0.00e+00 SP B1XD46 "RecName: Full=Outer membrane protein assembly factor BamA; Flags: Precursor" 96.35 810 98.23 98.48 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 $BamA 'Escherichia coli' 562 Bacteria . Escherichia coli 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 $BamA 'recombinant technology' . Escherichia coli . pET15b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_BamA_nanodiscs _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $BamA 850 uM '[U-13C; U-15N; U-2H]' MES 25 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_PROSA _Saveframe_category software _Name PROSA _Version . loop_ _Vendor _Address _Electronic_address Guntert . . stop_ loop_ _Task processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Ascend _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $BamA_nanodiscs save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $BamA_nanodiscs save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.17 . M pH 6.5 . pH pressure 1 . atm temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_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 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' stop_ loop_ _Sample_label $BamA_nanodiscs stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'BamA transmembrane domain' _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 1 678 279 GLN H H 8.21 0.02 1 2 678 279 GLN CA C 55.1 0.3 1 3 678 279 GLN CB C 28.9 0.3 1 4 678 279 GLN N N 122.1 0.3 1 5 679 280 ALA H H 8.34 0.02 1 6 679 280 ALA CA C 51.9 0.3 1 7 679 280 ALA CB C 18.4 0.3 1 8 679 280 ALA N N 126.3 0.3 1 9 680 281 SER H H 8.20 0.02 1 10 680 281 SER CA C 58.0 0.3 1 11 680 281 SER CB C 63.1 0.3 1 12 680 281 SER N N 115.4 0.3 1 13 681 282 ASN H H 8.15 0.02 1 14 681 282 ASN CA C 52.8 0.3 1 15 681 282 ASN CB C 38.0 0.3 1 16 681 282 ASN N N 120.1 0.3 1 17 682 283 TYR H H 7.89 0.02 1 18 682 283 TYR CA C 57.2 0.3 1 19 682 283 TYR CB C 38.0 0.3 1 20 682 283 TYR N N 120.9 0.3 1 21 683 284 ASP H H 8.00 0.02 1 22 683 284 ASP CA C 51.0 0.3 1 23 683 284 ASP CB C 41.1 0.3 1 24 683 284 ASP N N 125.3 0.3 1 25 684 285 PRO CA C 63.5 0.3 1 26 684 285 PRO CB C 31.1 0.3 1 27 685 286 ASP H H 8.18 0.02 1 28 685 286 ASP CA C 54.0 0.3 1 29 685 286 ASP CB C 40.1 0.3 1 30 685 286 ASP N N 118.5 0.3 1 31 686 287 TYR H H 7.55 0.02 1 32 686 287 TYR CA C 57.7 0.3 1 33 686 287 TYR CB C 38.2 0.3 1 34 686 287 TYR N N 121.1 0.3 1 35 687 288 ASP H H 7.83 0.02 1 36 687 288 ASP CA C 53.1 0.3 1 37 687 288 ASP CB C 40.2 0.3 1 38 687 288 ASP N N 123.7 0.3 1 39 688 289 TYR H H 7.87 0.02 1 40 688 289 TYR CA C 58.9 0.3 1 41 688 289 TYR CB C 37.5 0.3 1 42 688 289 TYR N N 122.3 0.3 1 43 689 290 GLU H H 8.14 0.02 1 44 689 290 GLU CA C 57.0 0.3 1 45 689 290 GLU CB C 28.9 0.3 1 46 689 290 GLU N N 121.0 0.3 1 47 690 291 SER H H 7.83 0.02 1 48 690 291 SER CA C 58.4 0.3 1 49 690 291 SER CB C 62.9 0.3 1 50 690 291 SER N N 115.7 0.3 1 51 691 292 ALA H H 7.98 0.02 1 52 691 292 ALA CA C 52.4 0.3 1 53 691 292 ALA CB C 18.2 0.3 1 54 691 292 ALA N N 125.4 0.3 1 55 692 293 THR H H 7.84 0.02 1 56 692 293 THR CA C 61.6 0.3 1 57 692 293 THR CB C 69.2 0.3 1 58 692 293 THR N N 112.1 0.3 1 59 693 294 GLN H H 8.10 0.02 1 60 693 294 GLN CA C 55.6 0.3 1 61 693 294 GLN CB C 28.2 0.3 1 62 693 294 GLN N N 122.4 0.3 1 63 694 295 ASP H H 8.22 0.02 1 64 694 295 ASP CA C 54.2 0.3 1 65 694 295 ASP CB C 40.3 0.3 1 66 694 295 ASP N N 121.5 0.3 1 67 695 296 GLY H H 8.16 0.02 1 68 695 296 GLY CA C 45.0 0.3 1 69 695 296 GLY N N 109.8 0.3 1 70 696 297 ALA H H 8.00 0.02 1 71 696 297 ALA CA C 52.1 0.3 1 72 696 297 ALA CB C 18.2 0.3 1 73 696 297 ALA N N 123.8 0.3 1 74 697 298 LYS H H 8.09 0.02 1 75 697 298 LYS CA C 55.5 0.3 1 76 697 298 LYS CB C 32.2 0.3 1 77 697 298 LYS N N 119.8 0.3 1 78 698 299 ASP H H 8.15 0.02 1 79 698 299 ASP CA C 53.7 0.3 1 80 698 299 ASP CB C 40.4 0.3 1 81 698 299 ASP N N 120.8 0.3 1 stop_ save_