data_51293 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51293 _Entry.Title ; 1H, 15N, and 13C Chemical Shift Backbone Resonance NMR Assignment of Accumulation-Associated Protein (Aap) Lectin Domain from Staphylococcus epidermidis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-01-25 _Entry.Accession_date 2022-01-25 _Entry.Last_release_date 2022-01-25 _Entry.Original_release_date 2022-01-25 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 Rahul Yadav . . . 0000-0002-0958-2882 51293 2 Tanveer Shaikh . . . 0000-0001-9386-7778 51293 3 Suhas Tikole . . . . 51293 4 Nicholas Fitzkee . C. . 0000-0002-8993-2140 51293 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51293 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 577 51293 '15N chemical shifts' 216 51293 '1H chemical shifts' 216 51293 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2023-06-29 . original BMRB . 51293 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 4FUO 'Structural basis for Zn2+-dependent intercellular adhesion in staphylococcal biofilms' 51293 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51293 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37022616 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 15N, and 13C chemical shift backbone resonance NMR assignment of the accumulation-associated protein (Aap) lectin domain from Staphylococcus epidermidis ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 17 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 95 _Citation.Page_last 99 _Citation.Year 2023 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Rahul Yadav R. . . . 51293 1 2 Tanveer Shaikh T. . . . 51293 1 3 Suhas Tikole S. . . . 51293 1 4 Andrew Herr A. B. . . 51293 1 5 Nicholas Fitzkee N. C. . . 51293 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Surface Adhesion, Biofilm, Lectin, Resonance assignment, solution NMR' 51293 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51293 _Assembly.ID 1 _Assembly.Name 'Lectin Domain of (Aap)' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 255611.88 _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 'Lectin Domain of (Aap)' 1 $entity_1 . . yes native no no . . . 51293 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Accumulation-Associated Protein promote biofilm formation' 51293 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51293 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_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 ; IPPTTVKGRDNYDFYGRVDI ESNPTDLNATNLTRYNYGQP PGTTTAGAVQFKNQVSFDKD FDFNIRVANNRQSNTTGADG WGFMFSKKDGDDFLKNGGIL REKGTPSAAGFRIDTGYYNN DPLDKIQKQAGQGYRGYGTF VKNDSQGNTSKVGSGTPSTD FLNYADNTTNDLDGKFHGQK LNNVNLKYNASNQTFTATYA GKTWTATLSELGLSPTDSYN FLVTSSQYGNGNSGTYASGV MRADLDGATLTYT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 353 _Entity.Polymer_author_seq_details 'Ile 353 - Thr 605' _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 253 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'L-type Lectin domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 27525.84 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 yes NCBI WP_010959349.1 . 'accumulation-associated protein Aap' . . . . . . . . . . . . . . 51293 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID ; Interact with surface glycans, facilitate adhesion to abiotic surfaces and promote Staphylococcus epidermidis biofilm on abiotic and biotic surfaces. ; 51293 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 1 353 ILE . 51293 1 2 354 PRO . 51293 1 3 355 PRO . 51293 1 4 356 THR . 51293 1 5 357 THR . 51293 1 6 358 VAL . 51293 1 7 359 LYS . 51293 1 8 360 GLY . 51293 1 9 361 ARG . 51293 1 10 362 ASP . 51293 1 11 363 ASN . 51293 1 12 364 TYR . 51293 1 13 365 ASP . 51293 1 14 366 PHE . 51293 1 15 367 TYR . 51293 1 16 368 GLY . 51293 1 17 369 ARG . 51293 1 18 370 VAL . 51293 1 19 371 ASP . 51293 1 20 372 ILE . 51293 1 21 373 GLU . 51293 1 22 374 SER . 51293 1 23 375 ASN . 51293 1 24 376 PRO . 51293 1 25 377 THR . 51293 1 26 378 ASP . 51293 1 27 379 LEU . 51293 1 28 380 ASN . 51293 1 29 381 ALA . 51293 1 30 382 THR . 51293 1 31 383 ASN . 51293 1 32 384 LEU . 51293 1 33 385 THR . 51293 1 34 386 ARG . 51293 1 35 387 TYR . 51293 1 36 388 ASN . 51293 1 37 389 TYR . 51293 1 38 390 GLY . 51293 1 39 391 GLN . 51293 1 40 392 PRO . 51293 1 41 393 PRO . 51293 1 42 394 GLY . 51293 1 43 395 THR . 51293 1 44 396 THR . 51293 1 45 397 THR . 51293 1 46 398 ALA . 51293 1 47 399 GLY . 51293 1 48 400 ALA . 51293 1 49 401 VAL . 51293 1 50 402 GLN . 51293 1 51 403 PHE . 51293 1 52 404 LYS . 51293 1 53 405 ASN . 51293 1 54 406 GLN . 51293 1 55 407 VAL . 51293 1 56 408 SER . 51293 1 57 409 PHE . 51293 1 58 410 ASP . 51293 1 59 411 LYS . 51293 1 60 412 ASP . 51293 1 61 413 PHE . 51293 1 62 414 ASP . 51293 1 63 415 PHE . 51293 1 64 416 ASN . 51293 1 65 417 ILE . 51293 1 66 418 ARG . 51293 1 67 419 VAL . 51293 1 68 420 ALA . 51293 1 69 421 ASN . 51293 1 70 422 ASN . 51293 1 71 423 ARG . 51293 1 72 424 GLN . 51293 1 73 425 SER . 51293 1 74 426 ASN . 51293 1 75 427 THR . 51293 1 76 428 THR . 51293 1 77 429 GLY . 51293 1 78 430 ALA . 51293 1 79 431 ASP . 51293 1 80 432 GLY . 51293 1 81 433 TRP . 51293 1 82 434 GLY . 51293 1 83 435 PHE . 51293 1 84 436 MET . 51293 1 85 437 PHE . 51293 1 86 438 SER . 51293 1 87 439 LYS . 51293 1 88 440 LYS . 51293 1 89 441 ASP . 51293 1 90 442 GLY . 51293 1 91 443 ASP . 51293 1 92 444 ASP . 51293 1 93 445 PHE . 51293 1 94 446 LEU . 51293 1 95 447 LYS . 51293 1 96 448 ASN . 51293 1 97 449 GLY . 51293 1 98 450 GLY . 51293 1 99 451 ILE . 51293 1 100 452 LEU . 51293 1 101 453 ARG . 51293 1 102 454 GLU . 51293 1 103 455 LYS . 51293 1 104 456 GLY . 51293 1 105 457 THR . 51293 1 106 458 PRO . 51293 1 107 459 SER . 51293 1 108 460 ALA . 51293 1 109 461 ALA . 51293 1 110 462 GLY . 51293 1 111 463 PHE . 51293 1 112 464 ARG . 51293 1 113 465 ILE . 51293 1 114 466 ASP . 51293 1 115 467 THR . 51293 1 116 468 GLY . 51293 1 117 469 TYR . 51293 1 118 470 TYR . 51293 1 119 471 ASN . 51293 1 120 472 ASN . 51293 1 121 473 ASP . 51293 1 122 474 PRO . 51293 1 123 475 LEU . 51293 1 124 476 ASP . 51293 1 125 477 LYS . 51293 1 126 478 ILE . 51293 1 127 479 GLN . 51293 1 128 480 LYS . 51293 1 129 481 GLN . 51293 1 130 482 ALA . 51293 1 131 483 GLY . 51293 1 132 484 GLN . 51293 1 133 485 GLY . 51293 1 134 486 TYR . 51293 1 135 487 ARG . 51293 1 136 488 GLY . 51293 1 137 489 TYR . 51293 1 138 490 GLY . 51293 1 139 491 THR . 51293 1 140 492 PHE . 51293 1 141 493 VAL . 51293 1 142 494 LYS . 51293 1 143 495 ASN . 51293 1 144 496 ASP . 51293 1 145 497 SER . 51293 1 146 498 GLN . 51293 1 147 499 GLY . 51293 1 148 500 ASN . 51293 1 149 501 THR . 51293 1 150 502 SER . 51293 1 151 503 LYS . 51293 1 152 504 VAL . 51293 1 153 505 GLY . 51293 1 154 506 SER . 51293 1 155 507 GLY . 51293 1 156 508 THR . 51293 1 157 509 PRO . 51293 1 158 510 SER . 51293 1 159 511 THR . 51293 1 160 512 ASP . 51293 1 161 513 PHE . 51293 1 162 514 LEU . 51293 1 163 515 ASN . 51293 1 164 516 TYR . 51293 1 165 517 ALA . 51293 1 166 518 ASP . 51293 1 167 519 ASN . 51293 1 168 520 THR . 51293 1 169 521 THR . 51293 1 170 522 ASN . 51293 1 171 523 ASP . 51293 1 172 524 LEU . 51293 1 173 525 ASP . 51293 1 174 526 GLY . 51293 1 175 527 LYS . 51293 1 176 528 PHE . 51293 1 177 529 HIS . 51293 1 178 530 GLY . 51293 1 179 531 GLN . 51293 1 180 532 LYS . 51293 1 181 533 LEU . 51293 1 182 534 ASN . 51293 1 183 535 ASN . 51293 1 184 536 VAL . 51293 1 185 537 ASN . 51293 1 186 538 LEU . 51293 1 187 539 LYS . 51293 1 188 540 TYR . 51293 1 189 541 ASN . 51293 1 190 542 ALA . 51293 1 191 543 SER . 51293 1 192 544 ASN . 51293 1 193 545 GLN . 51293 1 194 546 THR . 51293 1 195 547 PHE . 51293 1 196 548 THR . 51293 1 197 549 ALA . 51293 1 198 550 THR . 51293 1 199 551 TYR . 51293 1 200 552 ALA . 51293 1 201 553 GLY . 51293 1 202 554 LYS . 51293 1 203 555 THR . 51293 1 204 556 TRP . 51293 1 205 557 THR . 51293 1 206 558 ALA . 51293 1 207 559 THR . 51293 1 208 560 LEU . 51293 1 209 561 SER . 51293 1 210 562 GLU . 51293 1 211 563 LEU . 51293 1 212 564 GLY . 51293 1 213 565 LEU . 51293 1 214 566 SER . 51293 1 215 567 PRO . 51293 1 216 568 THR . 51293 1 217 569 ASP . 51293 1 218 570 SER . 51293 1 219 571 TYR . 51293 1 220 572 ASN . 51293 1 221 573 PHE . 51293 1 222 574 LEU . 51293 1 223 575 VAL . 51293 1 224 576 THR . 51293 1 225 577 SER . 51293 1 226 578 SER . 51293 1 227 579 GLN . 51293 1 228 580 TYR . 51293 1 229 581 GLY . 51293 1 230 582 ASN . 51293 1 231 583 GLY . 51293 1 232 584 ASN . 51293 1 233 585 SER . 51293 1 234 586 GLY . 51293 1 235 587 THR . 51293 1 236 588 TYR . 51293 1 237 589 ALA . 51293 1 238 590 SER . 51293 1 239 591 GLY . 51293 1 240 592 VAL . 51293 1 241 593 MET . 51293 1 242 594 ARG . 51293 1 243 595 ALA . 51293 1 244 596 ASP . 51293 1 245 597 LEU . 51293 1 246 598 ASP . 51293 1 247 599 GLY . 51293 1 248 600 ALA . 51293 1 249 601 THR . 51293 1 250 602 LEU . 51293 1 251 603 THR . 51293 1 252 604 TYR . 51293 1 253 605 THR . 51293 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 . ILE 1 1 51293 1 . PRO 2 2 51293 1 . PRO 3 3 51293 1 . THR 4 4 51293 1 . THR 5 5 51293 1 . VAL 6 6 51293 1 . LYS 7 7 51293 1 . GLY 8 8 51293 1 . ARG 9 9 51293 1 . ASP 10 10 51293 1 . ASN 11 11 51293 1 . TYR 12 12 51293 1 . ASP 13 13 51293 1 . PHE 14 14 51293 1 . TYR 15 15 51293 1 . GLY 16 16 51293 1 . ARG 17 17 51293 1 . VAL 18 18 51293 1 . ASP 19 19 51293 1 . ILE 20 20 51293 1 . GLU 21 21 51293 1 . SER 22 22 51293 1 . ASN 23 23 51293 1 . PRO 24 24 51293 1 . THR 25 25 51293 1 . ASP 26 26 51293 1 . LEU 27 27 51293 1 . ASN 28 28 51293 1 . ALA 29 29 51293 1 . THR 30 30 51293 1 . ASN 31 31 51293 1 . LEU 32 32 51293 1 . THR 33 33 51293 1 . ARG 34 34 51293 1 . TYR 35 35 51293 1 . ASN 36 36 51293 1 . TYR 37 37 51293 1 . GLY 38 38 51293 1 . GLN 39 39 51293 1 . PRO 40 40 51293 1 . PRO 41 41 51293 1 . GLY 42 42 51293 1 . THR 43 43 51293 1 . THR 44 44 51293 1 . THR 45 45 51293 1 . ALA 46 46 51293 1 . GLY 47 47 51293 1 . ALA 48 48 51293 1 . VAL 49 49 51293 1 . GLN 50 50 51293 1 . PHE 51 51 51293 1 . LYS 52 52 51293 1 . ASN 53 53 51293 1 . GLN 54 54 51293 1 . VAL 55 55 51293 1 . SER 56 56 51293 1 . PHE 57 57 51293 1 . ASP 58 58 51293 1 . LYS 59 59 51293 1 . ASP 60 60 51293 1 . PHE 61 61 51293 1 . ASP 62 62 51293 1 . PHE 63 63 51293 1 . ASN 64 64 51293 1 . ILE 65 65 51293 1 . ARG 66 66 51293 1 . VAL 67 67 51293 1 . ALA 68 68 51293 1 . ASN 69 69 51293 1 . ASN 70 70 51293 1 . ARG 71 71 51293 1 . GLN 72 72 51293 1 . SER 73 73 51293 1 . ASN 74 74 51293 1 . THR 75 75 51293 1 . THR 76 76 51293 1 . GLY 77 77 51293 1 . ALA 78 78 51293 1 . ASP 79 79 51293 1 . GLY 80 80 51293 1 . TRP 81 81 51293 1 . GLY 82 82 51293 1 . PHE 83 83 51293 1 . MET 84 84 51293 1 . PHE 85 85 51293 1 . SER 86 86 51293 1 . LYS 87 87 51293 1 . LYS 88 88 51293 1 . ASP 89 89 51293 1 . GLY 90 90 51293 1 . ASP 91 91 51293 1 . ASP 92 92 51293 1 . PHE 93 93 51293 1 . LEU 94 94 51293 1 . LYS 95 95 51293 1 . ASN 96 96 51293 1 . GLY 97 97 51293 1 . GLY 98 98 51293 1 . ILE 99 99 51293 1 . LEU 100 100 51293 1 . ARG 101 101 51293 1 . GLU 102 102 51293 1 . LYS 103 103 51293 1 . GLY 104 104 51293 1 . THR 105 105 51293 1 . PRO 106 106 51293 1 . SER 107 107 51293 1 . ALA 108 108 51293 1 . ALA 109 109 51293 1 . GLY 110 110 51293 1 . PHE 111 111 51293 1 . ARG 112 112 51293 1 . ILE 113 113 51293 1 . ASP 114 114 51293 1 . THR 115 115 51293 1 . GLY 116 116 51293 1 . TYR 117 117 51293 1 . TYR 118 118 51293 1 . ASN 119 119 51293 1 . ASN 120 120 51293 1 . ASP 121 121 51293 1 . PRO 122 122 51293 1 . LEU 123 123 51293 1 . ASP 124 124 51293 1 . LYS 125 125 51293 1 . ILE 126 126 51293 1 . GLN 127 127 51293 1 . LYS 128 128 51293 1 . GLN 129 129 51293 1 . ALA 130 130 51293 1 . GLY 131 131 51293 1 . GLN 132 132 51293 1 . GLY 133 133 51293 1 . TYR 134 134 51293 1 . ARG 135 135 51293 1 . GLY 136 136 51293 1 . TYR 137 137 51293 1 . GLY 138 138 51293 1 . THR 139 139 51293 1 . PHE 140 140 51293 1 . VAL 141 141 51293 1 . LYS 142 142 51293 1 . ASN 143 143 51293 1 . ASP 144 144 51293 1 . SER 145 145 51293 1 . GLN 146 146 51293 1 . GLY 147 147 51293 1 . ASN 148 148 51293 1 . THR 149 149 51293 1 . SER 150 150 51293 1 . LYS 151 151 51293 1 . VAL 152 152 51293 1 . GLY 153 153 51293 1 . SER 154 154 51293 1 . GLY 155 155 51293 1 . THR 156 156 51293 1 . PRO 157 157 51293 1 . SER 158 158 51293 1 . THR 159 159 51293 1 . ASP 160 160 51293 1 . PHE 161 161 51293 1 . LEU 162 162 51293 1 . ASN 163 163 51293 1 . TYR 164 164 51293 1 . ALA 165 165 51293 1 . ASP 166 166 51293 1 . ASN 167 167 51293 1 . THR 168 168 51293 1 . THR 169 169 51293 1 . ASN 170 170 51293 1 . ASP 171 171 51293 1 . LEU 172 172 51293 1 . ASP 173 173 51293 1 . GLY 174 174 51293 1 . LYS 175 175 51293 1 . PHE 176 176 51293 1 . HIS 177 177 51293 1 . GLY 178 178 51293 1 . GLN 179 179 51293 1 . LYS 180 180 51293 1 . LEU 181 181 51293 1 . ASN 182 182 51293 1 . ASN 183 183 51293 1 . VAL 184 184 51293 1 . ASN 185 185 51293 1 . LEU 186 186 51293 1 . LYS 187 187 51293 1 . TYR 188 188 51293 1 . ASN 189 189 51293 1 . ALA 190 190 51293 1 . SER 191 191 51293 1 . ASN 192 192 51293 1 . GLN 193 193 51293 1 . THR 194 194 51293 1 . PHE 195 195 51293 1 . THR 196 196 51293 1 . ALA 197 197 51293 1 . THR 198 198 51293 1 . TYR 199 199 51293 1 . ALA 200 200 51293 1 . GLY 201 201 51293 1 . LYS 202 202 51293 1 . THR 203 203 51293 1 . TRP 204 204 51293 1 . THR 205 205 51293 1 . ALA 206 206 51293 1 . THR 207 207 51293 1 . LEU 208 208 51293 1 . SER 209 209 51293 1 . GLU 210 210 51293 1 . LEU 211 211 51293 1 . GLY 212 212 51293 1 . LEU 213 213 51293 1 . SER 214 214 51293 1 . PRO 215 215 51293 1 . THR 216 216 51293 1 . ASP 217 217 51293 1 . SER 218 218 51293 1 . TYR 219 219 51293 1 . ASN 220 220 51293 1 . PHE 221 221 51293 1 . LEU 222 222 51293 1 . VAL 223 223 51293 1 . THR 224 224 51293 1 . SER 225 225 51293 1 . SER 226 226 51293 1 . GLN 227 227 51293 1 . TYR 228 228 51293 1 . GLY 229 229 51293 1 . ASN 230 230 51293 1 . GLY 231 231 51293 1 . ASN 232 232 51293 1 . SER 233 233 51293 1 . GLY 234 234 51293 1 . THR 235 235 51293 1 . TYR 236 236 51293 1 . ALA 237 237 51293 1 . SER 238 238 51293 1 . GLY 239 239 51293 1 . VAL 240 240 51293 1 . MET 241 241 51293 1 . ARG 242 242 51293 1 . ALA 243 243 51293 1 . ASP 244 244 51293 1 . LEU 245 245 51293 1 . ASP 246 246 51293 1 . GLY 247 247 51293 1 . ALA 248 248 51293 1 . THR 249 249 51293 1 . LEU 250 250 51293 1 . THR 251 251 51293 1 . TYR 252 252 51293 1 . THR 253 253 51293 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51293 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 1282 organism . 'Staphylococcus epidermidis' 'Staphylococcus epidermidis' . . Bacteria . Staphylococcus epidermidis . . . . . . . . . . . aap . 51293 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51293 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 DE3' . . plasmid . . pDEST-HisMBP . . . 51293 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51293 _Sample.ID 1 _Sample.Name 'NMR sample 1' _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM Sodium Phosphate pH 6.5, 50 mM Sodium Chloride, 2 mM DTT' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '93% H2O/7% 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 'Lectin Domain of (Aap)' '[U-99% 15N]' . . 1 $entity_1 . . 600 . . uM 20 . . . 51293 1 2 'Lectin Domain of (Aap)' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 800 . . uM 30 . . . 51293 1 3 'Sodium Phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 51293 1 4 'Sodium Chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 51293 1 5 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 51293 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 51293 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'NMR sample condition1' _Sample_condition_list.Details '20 mM Sodium Phosphate (pH 6.5), 50 mM NaCl, 7% D2O' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 51293 1 pH 6.5 . pH 51293 1 pressure 1 . atm 51293 1 temperature 298 . K 51293 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51293 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.6.1 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51293 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51293 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51293 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51293 _Software.ID 3 _Software.Type . _Software.Name CARA _Software.Version 1.9.1.7 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51293 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51293 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name NMR_spectrometer _NMR_spectrometer.Details '600 MHz Bruker Avance III System with QCI four channel cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51293 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N TROSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51293 1 2 '3D HNCA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51293 1 3 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51293 1 4 '3D HN(CO)CA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51293 1 5 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51293 1 6 '3D HN(CA)CO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51293 1 7 '3D CBCA(CO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51293 1 stop_ save_ save_computing_platform_1 _Computing_platform.Sf_category computing_platform _Computing_platform.Sf_framecode computing_platform_1 _Computing_platform.Entry_ID 51293 _Computing_platform.ID 1 _Computing_platform.Name 'Ubuntu Linux' _Computing_platform.Reference_ID . _Computing_platform.Site 'Chemistry Department, Mississippi State University' _Computing_platform.Site_reference_ID . _Computing_platform.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51293 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'chemical shift reference 1' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 external indirect 0.2514592598 . . . . . 51293 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 51293 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101340869 . . . . . 51293 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51293 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'chemical shift list' _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err .02 _Assigned_chem_shift_list.Chem_shift_13C_err .3 _Assigned_chem_shift_list.Chem_shift_15N_err .3 _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 TROSY' . . . 51293 1 2 '3D HNCA' . . . 51293 1 3 '3D HNCACB' . . . 51293 1 4 '3D HN(CO)CA' . . . 51293 1 5 '3D HNCO' . . . 51293 1 6 '3D HN(CA)CO' . . . 51293 1 7 '3D CBCA(CO)NH' . . . 51293 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51293 1 2 $software_2 . . 51293 1 3 $software_3 . . 51293 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 THR H H 1 8.610 0.020 . 1 . . . . . 356 THR H . 51293 1 2 . 1 . 1 4 4 THR C C 13 173.328 0.3 . 1 . . . . . 356 THR C . 51293 1 3 . 1 . 1 4 4 THR CA C 13 61.878 0.3 . 1 . . . . . 356 THR CA . 51293 1 4 . 1 . 1 4 4 THR CB C 13 70.180 0.3 . 1 . . . . . 356 THR CB . 51293 1 5 . 1 . 1 4 4 THR N N 15 118.120 0.3 . 1 . . . . . 356 THR N . 51293 1 6 . 1 . 1 5 5 THR H H 1 8.540 0.020 . 1 . . . . . 357 THR H . 51293 1 7 . 1 . 1 5 5 THR C C 13 174.164 0.3 . 1 . . . . . 357 THR C . 51293 1 8 . 1 . 1 5 5 THR CA C 13 61.878 0.3 . 1 . . . . . 357 THR CA . 51293 1 9 . 1 . 1 5 5 THR CB C 13 69.770 0.3 . 1 . . . . . 357 THR CB . 51293 1 10 . 1 . 1 5 5 THR N N 15 122.621 0.3 . 1 . . . . . 357 THR N . 51293 1 11 . 1 . 1 6 6 VAL H H 1 9.626 0.020 . 1 . . . . . 358 VAL H . 51293 1 12 . 1 . 1 6 6 VAL C C 13 175.153 0.3 . 1 . . . . . 358 VAL C . 51293 1 13 . 1 . 1 6 6 VAL CA C 13 61.032 0.3 . 1 . . . . . 358 VAL CA . 51293 1 14 . 1 . 1 6 6 VAL CB C 13 32.861 0.3 . 1 . . . . . 358 VAL CB . 51293 1 15 . 1 . 1 6 6 VAL N N 15 127.723 0.3 . 1 . . . . . 358 VAL N . 51293 1 16 . 1 . 1 7 7 LYS H H 1 8.676 0.020 . 1 . . . . . 359 LYS H . 51293 1 17 . 1 . 1 7 7 LYS C C 13 175.585 0.3 . 1 . . . . . 359 LYS C . 51293 1 18 . 1 . 1 7 7 LYS CA C 13 55.652 0.3 . 1 . . . . . 359 LYS CA . 51293 1 19 . 1 . 1 7 7 LYS CB C 13 35.562 0.3 . 1 . . . . . 359 LYS CB . 51293 1 20 . 1 . 1 7 7 LYS N N 15 128.623 0.3 . 1 . . . . . 359 LYS N . 51293 1 21 . 1 . 1 8 8 GLY H H 1 9.849 0.020 . 1 . . . . . 360 GLY H . 51293 1 22 . 1 . 1 8 8 GLY CA C 13 44.197 0.3 . 1 . . . . . 360 GLY CA . 51293 1 23 . 1 . 1 8 8 GLY N N 15 115.847 0.3 . 1 . . . . . 360 GLY N . 51293 1 24 . 1 . 1 9 9 ARG H H 1 9.228 0.020 . 1 . . . . . 361 ARG H . 51293 1 25 . 1 . 1 9 9 ARG C C 13 176.755 0.3 . 1 . . . . . 361 ARG C . 51293 1 26 . 1 . 1 9 9 ARG CA C 13 58.968 0.3 . 1 . . . . . 361 ARG CA . 51293 1 27 . 1 . 1 9 9 ARG CB C 13 30.488 0.3 . 1 . . . . . 361 ARG CB . 51293 1 28 . 1 . 1 9 9 ARG N N 15 127.481 0.3 . 1 . . . . . 361 ARG N . 51293 1 29 . 1 . 1 10 10 ASP H H 1 8.793 0.020 . 1 . . . . . 362 ASP H . 51293 1 30 . 1 . 1 10 10 ASP C C 13 175.878 0.3 . 1 . . . . . 362 ASP C . 51293 1 31 . 1 . 1 10 10 ASP CA C 13 55.078 0.3 . 1 . . . . . 362 ASP CA . 51293 1 32 . 1 . 1 10 10 ASP CB C 13 38.981 0.3 . 1 . . . . . 362 ASP CB . 51293 1 33 . 1 . 1 10 10 ASP N N 15 114.499 0.3 . 1 . . . . . 362 ASP N . 51293 1 34 . 1 . 1 11 11 ASN H H 1 7.586 0.020 . 1 . . . . . 363 ASN H . 51293 1 35 . 1 . 1 11 11 ASN C C 13 171.475 0.3 . 1 . . . . . 363 ASN C . 51293 1 36 . 1 . 1 11 11 ASN CA C 13 54.322 0.3 . 1 . . . . . 363 ASN CA . 51293 1 37 . 1 . 1 11 11 ASN CB C 13 39.408 0.3 . 1 . . . . . 363 ASN CB . 51293 1 38 . 1 . 1 11 11 ASN N N 15 115.015 0.3 . 1 . . . . . 363 ASN N . 51293 1 39 . 1 . 1 12 12 TYR H H 1 7.882 0.020 . 1 . . . . . 364 TYR H . 51293 1 40 . 1 . 1 12 12 TYR C C 13 174.025 0.3 . 1 . . . . . 364 TYR C . 51293 1 41 . 1 . 1 12 12 TYR CA C 13 56.952 0.3 . 1 . . . . . 364 TYR CA . 51293 1 42 . 1 . 1 12 12 TYR CB C 13 41.618 0.3 . 1 . . . . . 364 TYR CB . 51293 1 43 . 1 . 1 12 12 TYR N N 15 117.794 0.3 . 1 . . . . . 364 TYR N . 51293 1 44 . 1 . 1 13 13 ASP H H 1 8.984 0.020 . 1 . . . . . 365 ASP H . 51293 1 45 . 1 . 1 13 13 ASP C C 13 175.738 0.3 . 1 . . . . . 365 ASP C . 51293 1 46 . 1 . 1 13 13 ASP CA C 13 52.902 0.3 . 1 . . . . . 365 ASP CA . 51293 1 47 . 1 . 1 13 13 ASP CB C 13 43.255 0.3 . 1 . . . . . 365 ASP CB . 51293 1 48 . 1 . 1 13 13 ASP N N 15 120.614 0.3 . 1 . . . . . 365 ASP N . 51293 1 49 . 1 . 1 14 14 PHE H H 1 8.782 0.020 . 1 . . . . . 366 PHE H . 51293 1 50 . 1 . 1 14 14 PHE C C 13 175.292 0.3 . 1 . . . . . 366 PHE C . 51293 1 51 . 1 . 1 14 14 PHE CA C 13 56.105 0.3 . 1 . . . . . 366 PHE CA . 51293 1 52 . 1 . 1 14 14 PHE CB C 13 39.082 0.3 . 1 . . . . . 366 PHE CB . 51293 1 53 . 1 . 1 14 14 PHE N N 15 122.632 0.3 . 1 . . . . . 366 PHE N . 51293 1 54 . 1 . 1 15 15 TYR H H 1 9.161 0.020 . 1 . . . . . 367 TYR H . 51293 1 55 . 1 . 1 15 15 TYR C C 13 175.613 0.3 . 1 . . . . . 367 TYR C . 51293 1 56 . 1 . 1 15 15 TYR CA C 13 56.831 0.3 . 1 . . . . . 367 TYR CA . 51293 1 57 . 1 . 1 15 15 TYR CB C 13 40.800 0.3 . 1 . . . . . 367 TYR CB . 51293 1 58 . 1 . 1 15 15 TYR N N 15 120.160 0.3 . 1 . . . . . 367 TYR N . 51293 1 59 . 1 . 1 16 16 GLY H H 1 9.245 0.020 . 1 . . . . . 368 GLY H . 51293 1 60 . 1 . 1 16 16 GLY C C 13 175.738 0.3 . 1 . . . . . 368 GLY C . 51293 1 61 . 1 . 1 16 16 GLY CA C 13 45.950 0.3 . 1 . . . . . 368 GLY CA . 51293 1 62 . 1 . 1 16 16 GLY N N 15 110.750 0.3 . 1 . . . . . 368 GLY N . 51293 1 63 . 1 . 1 17 17 ARG H H 1 9.262 0.020 . 1 . . . . . 369 ARG H . 51293 1 64 . 1 . 1 17 17 ARG CA C 13 53.087 0.3 . 1 . . . . . 369 ARG CA . 51293 1 65 . 1 . 1 17 17 ARG CB C 13 26.069 0.3 . 1 . . . . . 369 ARG CB . 51293 1 66 . 1 . 1 17 17 ARG N N 15 126.232 0.3 . 1 . . . . . 369 ARG N . 51293 1 67 . 1 . 1 18 18 VAL H H 1 7.817 0.020 . 1 . . . . . 370 VAL H . 51293 1 68 . 1 . 1 18 18 VAL C C 13 174.136 0.3 . 1 . . . . . 370 VAL C . 51293 1 69 . 1 . 1 18 18 VAL CA C 13 59.188 0.3 . 1 . . . . . 370 VAL CA . 51293 1 70 . 1 . 1 18 18 VAL CB C 13 33.843 0.3 . 1 . . . . . 370 VAL CB . 51293 1 71 . 1 . 1 18 18 VAL N N 15 124.616 0.3 . 1 . . . . . 370 VAL N . 51293 1 72 . 1 . 1 19 19 ASP H H 1 9.518 0.020 . 1 . . . . . 371 ASP H . 51293 1 73 . 1 . 1 19 19 ASP C C 13 172.728 0.3 . 1 . . . . . 371 ASP C . 51293 1 74 . 1 . 1 19 19 ASP CA C 13 52.025 0.3 . 1 . . . . . 371 ASP CA . 51293 1 75 . 1 . 1 19 19 ASP CB C 13 40.963 0.3 . 1 . . . . . 371 ASP CB . 51293 1 76 . 1 . 1 19 19 ASP N N 15 130.135 0.3 . 1 . . . . . 371 ASP N . 51293 1 77 . 1 . 1 20 20 ILE H H 1 7.585 0.020 . 1 . . . . . 372 ILE H . 51293 1 78 . 1 . 1 20 20 ILE C C 13 176.045 0.3 . 1 . . . . . 372 ILE C . 51293 1 79 . 1 . 1 20 20 ILE CA C 13 56.982 0.3 . 1 . . . . . 372 ILE CA . 51293 1 80 . 1 . 1 20 20 ILE CB C 13 37.199 0.3 . 1 . . . . . 372 ILE CB . 51293 1 81 . 1 . 1 20 20 ILE N N 15 117.421 0.3 . 1 . . . . . 372 ILE N . 51293 1 82 . 1 . 1 21 21 GLU H H 1 9.224 0.020 . 1 . . . . . 373 GLU H . 51293 1 83 . 1 . 1 21 21 GLU C C 13 175.543 0.3 . 1 . . . . . 373 GLU C . 51293 1 84 . 1 . 1 21 21 GLU CA C 13 53.839 0.3 . 1 . . . . . 373 GLU CA . 51293 1 85 . 1 . 1 21 21 GLU CB C 13 29.915 0.3 . 1 . . . . . 373 GLU CB . 51293 1 86 . 1 . 1 21 21 GLU N N 15 129.994 0.3 . 1 . . . . . 373 GLU N . 51293 1 87 . 1 . 1 22 22 SER H H 1 8.496 0.020 . 1 . . . . . 374 SER H . 51293 1 88 . 1 . 1 22 22 SER CA C 13 61.697 0.3 . 1 . . . . . 374 SER CA . 51293 1 89 . 1 . 1 22 22 SER CB C 13 62.732 0.3 . 1 . . . . . 374 SER CB . 51293 1 90 . 1 . 1 22 22 SER N N 15 124.599 0.3 . 1 . . . . . 374 SER N . 51293 1 91 . 1 . 1 23 23 ASN H H 1 8.761 0.020 . 1 . . . . . 375 ASN H . 51293 1 92 . 1 . 1 23 23 ASN CA C 13 51.330 0.3 . 1 . . . . . 375 ASN CA . 51293 1 93 . 1 . 1 23 23 ASN CB C 13 39.245 0.3 . 1 . . . . . 375 ASN CB . 51293 1 94 . 1 . 1 23 23 ASN N N 15 118.708 0.3 . 1 . . . . . 375 ASN N . 51293 1 95 . 1 . 1 25 25 THR H H 1 8.964 0.020 . 1 . . . . . 377 THR H . 51293 1 96 . 1 . 1 25 25 THR C C 13 175.947 0.3 . 1 . . . . . 377 THR C . 51293 1 97 . 1 . 1 25 25 THR CA C 13 62.271 0.3 . 1 . . . . . 377 THR CA . 51293 1 98 . 1 . 1 25 25 THR CB C 13 68.952 0.3 . 1 . . . . . 377 THR CB . 51293 1 99 . 1 . 1 25 25 THR N N 15 113.992 0.3 . 1 . . . . . 377 THR N . 51293 1 100 . 1 . 1 26 26 ASP H H 1 8.887 0.020 . 1 . . . . . 378 ASP H . 51293 1 101 . 1 . 1 26 26 ASP C C 13 174.930 0.3 . 1 . . . . . 378 ASP C . 51293 1 102 . 1 . 1 26 26 ASP CA C 13 52.962 0.3 . 1 . . . . . 378 ASP CA . 51293 1 103 . 1 . 1 26 26 ASP CB C 13 39.818 0.3 . 1 . . . . . 378 ASP CB . 51293 1 104 . 1 . 1 26 26 ASP N N 15 118.647 0.3 . 1 . . . . . 378 ASP N . 51293 1 105 . 1 . 1 27 27 LEU H H 1 6.862 0.020 . 1 . . . . . 379 LEU H . 51293 1 106 . 1 . 1 27 27 LEU C C 13 175.919 0.3 . 1 . . . . . 379 LEU C . 51293 1 107 . 1 . 1 27 27 LEU CA C 13 52.781 0.3 . 1 . . . . . 379 LEU CA . 51293 1 108 . 1 . 1 27 27 LEU CB C 13 45.383 0.3 . 1 . . . . . 379 LEU CB . 51293 1 109 . 1 . 1 27 27 LEU N N 15 117.717 0.3 . 1 . . . . . 379 LEU N . 51293 1 110 . 1 . 1 29 29 ALA H H 1 7.602 0.020 . 1 . . . . . 381 ALA H . 51293 1 111 . 1 . 1 29 29 ALA C C 13 174.972 0.3 . 1 . . . . . 381 ALA C . 51293 1 112 . 1 . 1 29 29 ALA CA C 13 50.877 0.3 . 1 . . . . . 381 ALA CA . 51293 1 113 . 1 . 1 29 29 ALA CB C 13 21.813 0.3 . 1 . . . . . 381 ALA CB . 51293 1 114 . 1 . 1 29 29 ALA N N 15 123.737 0.3 . 1 . . . . . 381 ALA N . 51293 1 115 . 1 . 1 30 30 THR H H 1 7.987 0.020 . 1 . . . . . 382 THR H . 51293 1 116 . 1 . 1 30 30 THR C C 13 173.300 0.3 . 1 . . . . . 382 THR C . 51293 1 117 . 1 . 1 30 30 THR CA C 13 59.974 0.3 . 1 . . . . . 382 THR CA . 51293 1 118 . 1 . 1 30 30 THR CB C 13 71.571 0.3 . 1 . . . . . 382 THR CB . 51293 1 119 . 1 . 1 30 30 THR N N 15 109.148 0.3 . 1 . . . . . 382 THR N . 51293 1 120 . 1 . 1 31 31 ASN H H 1 8.565 0.020 . 1 . . . . . 383 ASN H . 51293 1 121 . 1 . 1 31 31 ASN C C 13 174.596 0.3 . 1 . . . . . 383 ASN C . 51293 1 122 . 1 . 1 31 31 ASN CA C 13 53.627 0.3 . 1 . . . . . 383 ASN CA . 51293 1 123 . 1 . 1 31 31 ASN CB C 13 37.117 0.3 . 1 . . . . . 383 ASN CB . 51293 1 124 . 1 . 1 31 31 ASN N N 15 117.829 0.3 . 1 . . . . . 383 ASN N . 51293 1 125 . 1 . 1 32 32 LEU H H 1 7.812 0.020 . 1 . . . . . 384 LEU H . 51293 1 126 . 1 . 1 32 32 LEU CA C 13 53.476 0.3 . 1 . . . . . 384 LEU CA . 51293 1 127 . 1 . 1 32 32 LEU CB C 13 42.109 0.3 . 1 . . . . . 384 LEU CB . 51293 1 128 . 1 . 1 32 32 LEU N N 15 117.011 0.3 . 1 . . . . . 384 LEU N . 51293 1 129 . 1 . 1 33 33 THR H H 1 8.881 0.020 . 1 . . . . . 385 THR H . 51293 1 130 . 1 . 1 33 33 THR C C 13 172.757 0.3 . 1 . . . . . 385 THR C . 51293 1 131 . 1 . 1 33 33 THR CA C 13 64.871 0.3 . 1 . . . . . 385 THR CA . 51293 1 132 . 1 . 1 33 33 THR CB C 13 68.127 0.3 . 1 . . . . . 385 THR CB . 51293 1 133 . 1 . 1 33 33 THR N N 15 120.688 0.3 . 1 . . . . . 385 THR N . 51293 1 134 . 1 . 1 34 34 ARG H H 1 9.491 0.020 . 1 . . . . . 386 ARG H . 51293 1 135 . 1 . 1 34 34 ARG C C 13 173.147 0.3 . 1 . . . . . 386 ARG C . 51293 1 136 . 1 . 1 34 34 ARG CA C 13 54.655 0.3 . 1 . . . . . 386 ARG CA . 51293 1 137 . 1 . 1 34 34 ARG CB C 13 33.088 0.3 . 1 . . . . . 386 ARG CB . 51293 1 138 . 1 . 1 34 34 ARG N N 15 131.929 0.3 . 1 . . . . . 386 ARG N . 51293 1 139 . 1 . 1 35 35 TYR H H 1 9.526 0.020 . 1 . . . . . 387 TYR H . 51293 1 140 . 1 . 1 35 35 TYR CA C 13 56.226 0.3 . 1 . . . . . 387 TYR CA . 51293 1 141 . 1 . 1 35 35 TYR CB C 13 39.490 0.3 . 1 . . . . . 387 TYR CB . 51293 1 142 . 1 . 1 35 35 TYR N N 15 126.971 0.3 . 1 . . . . . 387 TYR N . 51293 1 143 . 1 . 1 36 36 ASN H H 1 7.884 0.020 . 1 . . . . . 388 ASN H . 51293 1 144 . 1 . 1 36 36 ASN CA C 13 55.017 0.3 . 1 . . . . . 388 ASN CA . 51293 1 145 . 1 . 1 36 36 ASN CB C 13 36.053 0.3 . 1 . . . . . 388 ASN CB . 51293 1 146 . 1 . 1 36 36 ASN N N 15 110.571 0.3 . 1 . . . . . 388 ASN N . 51293 1 147 . 1 . 1 37 37 TYR H H 1 8.079 0.020 . 1 . . . . . 389 TYR H . 51293 1 148 . 1 . 1 37 37 TYR C C 13 177.396 0.3 . 1 . . . . . 389 TYR C . 51293 1 149 . 1 . 1 37 37 TYR CA C 13 59.188 0.3 . 1 . . . . . 389 TYR CA . 51293 1 150 . 1 . 1 37 37 TYR CB C 13 39.081 0.3 . 1 . . . . . 389 TYR CB . 51293 1 151 . 1 . 1 37 37 TYR N N 15 119.506 0.3 . 1 . . . . . 389 TYR N . 51293 1 152 . 1 . 1 38 38 GLY H H 1 7.875 0.020 . 1 . . . . . 390 GLY H . 51293 1 153 . 1 . 1 38 38 GLY C C 13 173.175 0.3 . 1 . . . . . 390 GLY C . 51293 1 154 . 1 . 1 38 38 GLY CA C 13 45.013 0.3 . 1 . . . . . 390 GLY CA . 51293 1 155 . 1 . 1 38 38 GLY N N 15 114.739 0.3 . 1 . . . . . 390 GLY N . 51293 1 156 . 1 . 1 42 42 GLY H H 1 8.210 0.020 . 1 . . . . . 394 GLY H . 51293 1 157 . 1 . 1 42 42 GLY C C 13 175.070 0.3 . 1 . . . . . 394 GLY C . 51293 1 158 . 1 . 1 42 42 GLY CA C 13 45.406 0.3 . 1 . . . . . 394 GLY CA . 51293 1 159 . 1 . 1 42 42 GLY N N 15 110.377 0.3 . 1 . . . . . 394 GLY N . 51293 1 160 . 1 . 1 43 43 THR H H 1 7.891 0.020 . 1 . . . . . 395 THR H . 51293 1 161 . 1 . 1 43 43 THR CA C 13 61.274 0.3 . 1 . . . . . 395 THR CA . 51293 1 162 . 1 . 1 43 43 THR CB C 13 69.116 0.3 . 1 . . . . . 395 THR CB . 51293 1 163 . 1 . 1 43 43 THR N N 15 114.388 0.3 . 1 . . . . . 395 THR N . 51293 1 164 . 1 . 1 46 46 ALA H H 1 7.521 0.020 . 1 . . . . . 398 ALA H . 51293 1 165 . 1 . 1 46 46 ALA C C 13 176.546 0.3 . 1 . . . . . 398 ALA C . 51293 1 166 . 1 . 1 46 46 ALA CA C 13 51.058 0.3 . 1 . . . . . 398 ALA CA . 51293 1 167 . 1 . 1 46 46 ALA CB C 13 21.486 0.3 . 1 . . . . . 398 ALA CB . 51293 1 168 . 1 . 1 46 46 ALA N N 15 126.145 0.3 . 1 . . . . . 398 ALA N . 51293 1 169 . 1 . 1 47 47 GLY H H 1 8.827 0.020 . 1 . . . . . 399 GLY H . 51293 1 170 . 1 . 1 47 47 GLY C C 13 170.235 0.3 . 1 . . . . . 399 GLY C . 51293 1 171 . 1 . 1 47 47 GLY CA C 13 44.892 0.3 . 1 . . . . . 399 GLY CA . 51293 1 172 . 1 . 1 47 47 GLY N N 15 106.613 0.3 . 1 . . . . . 399 GLY N . 51293 1 173 . 1 . 1 48 48 ALA H H 1 9.236 0.020 . 1 . . . . . 400 ALA H . 51293 1 174 . 1 . 1 48 48 ALA C C 13 175.181 0.3 . 1 . . . . . 400 ALA C . 51293 1 175 . 1 . 1 48 48 ALA CA C 13 50.181 0.3 . 1 . . . . . 400 ALA CA . 51293 1 176 . 1 . 1 48 48 ALA CB C 13 23.859 0.3 . 1 . . . . . 400 ALA CB . 51293 1 177 . 1 . 1 48 48 ALA N N 15 121.553 0.3 . 1 . . . . . 400 ALA N . 51293 1 178 . 1 . 1 49 49 VAL H H 1 7.942 0.020 . 1 . . . . . 401 VAL H . 51293 1 179 . 1 . 1 49 49 VAL C C 13 174.540 0.3 . 1 . . . . . 401 VAL C . 51293 1 180 . 1 . 1 49 49 VAL CA C 13 59.400 0.3 . 1 . . . . . 401 VAL CA . 51293 1 181 . 1 . 1 49 49 VAL CB C 13 32.207 0.3 . 1 . . . . . 401 VAL CB . 51293 1 182 . 1 . 1 49 49 VAL N N 15 115.566 0.3 . 1 . . . . . 401 VAL N . 51293 1 183 . 1 . 1 50 50 GLN H H 1 9.575 0.020 . 1 . . . . . 402 GLN H . 51293 1 184 . 1 . 1 50 50 GLN C C 13 176.310 0.3 . 1 . . . . . 402 GLN C . 51293 1 185 . 1 . 1 50 50 GLN CA C 13 53.143 0.3 . 1 . . . . . 402 GLN CA . 51293 1 186 . 1 . 1 50 50 GLN CB C 13 33.271 0.3 . 1 . . . . . 402 GLN CB . 51293 1 187 . 1 . 1 50 50 GLN N N 15 126.831 0.3 . 1 . . . . . 402 GLN N . 51293 1 188 . 1 . 1 51 51 PHE H H 1 8.781 0.020 . 1 . . . . . 403 PHE H . 51293 1 189 . 1 . 1 51 51 PHE C C 13 178.107 0.3 . 1 . . . . . 403 PHE C . 51293 1 190 . 1 . 1 51 51 PHE CA C 13 57.254 0.3 . 1 . . . . . 403 PHE CA . 51293 1 191 . 1 . 1 51 51 PHE CB C 13 37.854 0.3 . 1 . . . . . 403 PHE CB . 51293 1 192 . 1 . 1 51 51 PHE N N 15 129.115 0.3 . 1 . . . . . 403 PHE N . 51293 1 193 . 1 . 1 52 52 LYS H H 1 8.018 0.020 . 1 . . . . . 404 LYS H . 51293 1 194 . 1 . 1 52 52 LYS C C 13 174.835 0.3 . 1 . . . . . 404 LYS C . 51293 1 195 . 1 . 1 52 52 LYS CA C 13 59.309 0.3 . 1 . . . . . 404 LYS CA . 51293 1 196 . 1 . 1 52 52 LYS CB C 13 32.287 0.3 . 1 . . . . . 404 LYS CB . 51293 1 197 . 1 . 1 52 52 LYS N N 15 128.676 0.3 . 1 . . . . . 404 LYS N . 51293 1 198 . 1 . 1 54 54 GLN H H 1 8.467 0.020 . 1 . . . . . 406 GLN H . 51293 1 199 . 1 . 1 54 54 GLN C C 13 175.641 0.3 . 1 . . . . . 406 GLN C . 51293 1 200 . 1 . 1 54 54 GLN CA C 13 56.257 0.3 . 1 . . . . . 406 GLN CA . 51293 1 201 . 1 . 1 54 54 GLN CB C 13 29.833 0.3 . 1 . . . . . 406 GLN CB . 51293 1 202 . 1 . 1 54 54 GLN N N 15 119.209 0.3 . 1 . . . . . 406 GLN N . 51293 1 203 . 1 . 1 55 55 VAL H H 1 9.048 0.020 . 1 . . . . . 407 VAL H . 51293 1 204 . 1 . 1 55 55 VAL C C 13 173.621 0.3 . 1 . . . . . 407 VAL C . 51293 1 205 . 1 . 1 55 55 VAL CA C 13 59.551 0.3 . 1 . . . . . 407 VAL CA . 51293 1 206 . 1 . 1 55 55 VAL CB C 13 34.007 0.3 . 1 . . . . . 407 VAL CB . 51293 1 207 . 1 . 1 55 55 VAL N N 15 115.671 0.3 . 1 . . . . . 407 VAL N . 51293 1 208 . 1 . 1 56 56 SER H H 1 7.837 0.020 . 1 . . . . . 408 SER H . 51293 1 209 . 1 . 1 56 56 SER C C 13 174.679 0.3 . 1 . . . . . 408 SER C . 51293 1 210 . 1 . 1 56 56 SER CA C 13 56.045 0.3 . 1 . . . . . 408 SER CA . 51293 1 211 . 1 . 1 56 56 SER CB C 13 65.924 0.3 . 1 . . . . . 408 SER CB . 51293 1 212 . 1 . 1 56 56 SER N N 15 115.226 0.3 . 1 . . . . . 408 SER N . 51293 1 213 . 1 . 1 57 57 PHE H H 1 9.748 0.020 . 1 . . . . . 409 PHE H . 51293 1 214 . 1 . 1 57 57 PHE C C 13 175.641 0.3 . 1 . . . . . 409 PHE C . 51293 1 215 . 1 . 1 57 57 PHE CA C 13 58.826 0.3 . 1 . . . . . 409 PHE CA . 51293 1 216 . 1 . 1 57 57 PHE CB C 13 36.380 0.3 . 1 . . . . . 409 PHE CB . 51293 1 217 . 1 . 1 57 57 PHE N N 15 121.226 0.3 . 1 . . . . . 409 PHE N . 51293 1 218 . 1 . 1 58 58 ASP H H 1 9.064 0.020 . 1 . . . . . 410 ASP H . 51293 1 219 . 1 . 1 58 58 ASP C C 13 175.042 0.3 . 1 . . . . . 410 ASP C . 51293 1 220 . 1 . 1 58 58 ASP CA C 13 53.295 0.3 . 1 . . . . . 410 ASP CA . 51293 1 221 . 1 . 1 58 58 ASP CB C 13 38.836 0.3 . 1 . . . . . 410 ASP CB . 51293 1 222 . 1 . 1 58 58 ASP N N 15 118.691 0.3 . 1 . . . . . 410 ASP N . 51293 1 223 . 1 . 1 59 59 LYS H H 1 7.484 0.020 . 1 . . . . . 411 LYS H . 51293 1 224 . 1 . 1 59 59 LYS C C 13 174.345 0.3 . 1 . . . . . 411 LYS C . 51293 1 225 . 1 . 1 59 59 LYS CA C 13 53.748 0.3 . 1 . . . . . 411 LYS CA . 51293 1 226 . 1 . 1 59 59 LYS CB C 13 34.907 0.3 . 1 . . . . . 411 LYS CB . 51293 1 227 . 1 . 1 59 59 LYS N N 15 120.280 0.3 . 1 . . . . . 411 LYS N . 51293 1 228 . 1 . 1 60 60 ASP H H 1 7.826 0.020 . 1 . . . . . 412 ASP H . 51293 1 229 . 1 . 1 60 60 ASP C C 13 175.836 0.3 . 1 . . . . . 412 ASP C . 51293 1 230 . 1 . 1 60 60 ASP CA C 13 54.896 0.3 . 1 . . . . . 412 ASP CA . 51293 1 231 . 1 . 1 60 60 ASP CB C 13 41.045 0.3 . 1 . . . . . 412 ASP CB . 51293 1 232 . 1 . 1 60 60 ASP N N 15 118.738 0.3 . 1 . . . . . 412 ASP N . 51293 1 233 . 1 . 1 61 61 PHE H H 1 8.387 0.020 . 1 . . . . . 413 PHE H . 51293 1 234 . 1 . 1 61 61 PHE C C 13 173.802 0.3 . 1 . . . . . 413 PHE C . 51293 1 235 . 1 . 1 61 61 PHE CA C 13 56.770 0.3 . 1 . . . . . 413 PHE CA . 51293 1 236 . 1 . 1 61 61 PHE CB C 13 43.255 0.3 . 1 . . . . . 413 PHE CB . 51293 1 237 . 1 . 1 61 61 PHE N N 15 120.840 0.3 . 1 . . . . . 413 PHE N . 51293 1 238 . 1 . 1 62 62 ASP H H 1 8.457 0.020 . 1 . . . . . 414 ASP H . 51293 1 239 . 1 . 1 62 62 ASP CA C 13 54.050 0.3 . 1 . . . . . 414 ASP CA . 51293 1 240 . 1 . 1 62 62 ASP CB C 13 43.828 0.3 . 1 . . . . . 414 ASP CB . 51293 1 241 . 1 . 1 62 62 ASP N N 15 127.709 0.3 . 1 . . . . . 414 ASP N . 51293 1 242 . 1 . 1 63 63 PHE H H 1 9.189 0.020 . 1 . . . . . 415 PHE H . 51293 1 243 . 1 . 1 63 63 PHE CA C 13 55.561 0.3 . 1 . . . . . 415 PHE CA . 51293 1 244 . 1 . 1 63 63 PHE CB C 13 43.419 0.3 . 1 . . . . . 415 PHE CB . 51293 1 245 . 1 . 1 63 63 PHE N N 15 129.414 0.3 . 1 . . . . . 415 PHE N . 51293 1 246 . 1 . 1 64 64 ASN H H 1 8.378 0.020 . 1 . . . . . 416 ASN H . 51293 1 247 . 1 . 1 64 64 ASN C C 13 172.004 0.3 . 1 . . . . . 416 ASN C . 51293 1 248 . 1 . 1 64 64 ASN CA C 13 52.358 0.3 . 1 . . . . . 416 ASN CA . 51293 1 249 . 1 . 1 64 64 ASN CB C 13 42.682 0.3 . 1 . . . . . 416 ASN CB . 51293 1 250 . 1 . 1 64 64 ASN N N 15 128.166 0.3 . 1 . . . . . 416 ASN N . 51293 1 251 . 1 . 1 65 65 ILE H H 1 8.124 0.020 . 1 . . . . . 417 ILE H . 51293 1 252 . 1 . 1 65 65 ILE CA C 13 59.067 0.3 . 1 . . . . . 417 ILE CA . 51293 1 253 . 1 . 1 65 65 ILE CB C 13 39.736 0.3 . 1 . . . . . 417 ILE CB . 51293 1 254 . 1 . 1 65 65 ILE N N 15 119.338 0.3 . 1 . . . . . 417 ILE N . 51293 1 255 . 1 . 1 66 66 ARG H H 1 9.092 0.020 . 1 . . . . . 418 ARG H . 51293 1 256 . 1 . 1 66 66 ARG C C 13 175.710 0.3 . 1 . . . . . 418 ARG C . 51293 1 257 . 1 . 1 66 66 ARG CA C 13 54.383 0.3 . 1 . . . . . 418 ARG CA . 51293 1 258 . 1 . 1 66 66 ARG CB C 13 31.388 0.3 . 1 . . . . . 418 ARG CB . 51293 1 259 . 1 . 1 66 66 ARG N N 15 125.389 0.3 . 1 . . . . . 418 ARG N . 51293 1 260 . 1 . 1 67 67 VAL H H 1 8.518 0.020 . 1 . . . . . 419 VAL H . 51293 1 261 . 1 . 1 67 67 VAL C C 13 175.474 0.3 . 1 . . . . . 419 VAL C . 51293 1 262 . 1 . 1 67 67 VAL CA C 13 58.372 0.3 . 1 . . . . . 419 VAL CA . 51293 1 263 . 1 . 1 67 67 VAL CB C 13 34.416 0.3 . 1 . . . . . 419 VAL CB . 51293 1 264 . 1 . 1 67 67 VAL N N 15 113.999 0.3 . 1 . . . . . 419 VAL N . 51293 1 265 . 1 . 1 68 68 ALA H H 1 9.640 0.020 . 1 . . . . . 420 ALA H . 51293 1 266 . 1 . 1 68 68 ALA C C 13 177.104 0.3 . 1 . . . . . 420 ALA C . 51293 1 267 . 1 . 1 68 68 ALA CA C 13 51.445 0.3 . 1 . . . . . 420 ALA CA . 51293 1 268 . 1 . 1 68 68 ALA CB C 13 21.700 0.3 . 1 . . . . . 420 ALA CB . 51293 1 269 . 1 . 1 68 68 ALA N N 15 128.144 0.3 . 1 . . . . . 420 ALA N . 51293 1 270 . 1 . 1 69 69 ASN H H 1 8.685 0.020 . 1 . . . . . 421 ASN H . 51293 1 271 . 1 . 1 69 69 ASN C C 13 175.808 0.3 . 1 . . . . . 421 ASN C . 51293 1 272 . 1 . 1 69 69 ASN CA C 13 52.207 0.3 . 1 . . . . . 421 ASN CA . 51293 1 273 . 1 . 1 69 69 ASN CB C 13 39.490 0.3 . 1 . . . . . 421 ASN CB . 51293 1 274 . 1 . 1 69 69 ASN N N 15 122.406 0.3 . 1 . . . . . 421 ASN N . 51293 1 275 . 1 . 1 70 70 ASN H H 1 7.298 0.020 . 1 . . . . . 422 ASN H . 51293 1 276 . 1 . 1 70 70 ASN C C 13 175.474 0.3 . 1 . . . . . 422 ASN C . 51293 1 277 . 1 . 1 70 70 ASN CA C 13 52.902 0.3 . 1 . . . . . 422 ASN CA . 51293 1 278 . 1 . 1 70 70 ASN CB C 13 38.099 0.3 . 1 . . . . . 422 ASN CB . 51293 1 279 . 1 . 1 70 70 ASN N N 15 118.153 0.3 . 1 . . . . . 422 ASN N . 51293 1 280 . 1 . 1 71 71 ARG H H 1 9.249 0.020 . 1 . . . . . 423 ARG H . 51293 1 281 . 1 . 1 71 71 ARG C C 13 174.345 0.3 . 1 . . . . . 423 ARG C . 51293 1 282 . 1 . 1 71 71 ARG CA C 13 54.068 0.3 . 1 . . . . . 423 ARG CA . 51293 1 283 . 1 . 1 71 71 ARG CB C 13 27.832 0.3 . 1 . . . . . 423 ARG CB . 51293 1 284 . 1 . 1 71 71 ARG N N 15 129.159 0.3 . 1 . . . . . 423 ARG N . 51293 1 285 . 1 . 1 75 75 THR H H 1 7.672 0.020 . 1 . . . . . 427 THR H . 51293 1 286 . 1 . 1 75 75 THR CA C 13 61.062 0.3 . 1 . . . . . 427 THR CA . 51293 1 287 . 1 . 1 75 75 THR CB C 13 68.924 0.3 . 1 . . . . . 427 THR CB . 51293 1 288 . 1 . 1 75 75 THR N N 15 108.679 0.3 . 1 . . . . . 427 THR N . 51293 1 289 . 1 . 1 76 76 THR H H 1 7.470 0.020 . 1 . . . . . 428 THR H . 51293 1 290 . 1 . 1 76 76 THR C C 13 175.153 0.3 . 1 . . . . . 428 THR C . 51293 1 291 . 1 . 1 76 76 THR CA C 13 61.485 0.3 . 1 . . . . . 428 THR CA . 51293 1 292 . 1 . 1 76 76 THR CB C 13 70.507 0.3 . 1 . . . . . 428 THR CB . 51293 1 293 . 1 . 1 76 76 THR N N 15 110.810 0.3 . 1 . . . . . 428 THR N . 51293 1 294 . 1 . 1 77 77 GLY H H 1 7.647 0.020 . 1 . . . . . 429 GLY H . 51293 1 295 . 1 . 1 77 77 GLY C C 13 172.924 0.3 . 1 . . . . . 429 GLY C . 51293 1 296 . 1 . 1 77 77 GLY CA C 13 43.532 0.3 . 1 . . . . . 429 GLY CA . 51293 1 297 . 1 . 1 77 77 GLY N N 15 109.902 0.3 . 1 . . . . . 429 GLY N . 51293 1 298 . 1 . 1 78 78 ALA H H 1 9.116 0.020 . 1 . . . . . 430 ALA H . 51293 1 299 . 1 . 1 78 78 ALA C C 13 178.413 0.3 . 1 . . . . . 430 ALA C . 51293 1 300 . 1 . 1 78 78 ALA CA C 13 51.355 0.3 . 1 . . . . . 430 ALA CA . 51293 1 301 . 1 . 1 78 78 ALA CB C 13 18.594 0.3 . 1 . . . . . 430 ALA CB . 51293 1 302 . 1 . 1 78 78 ALA N N 15 120.623 0.3 . 1 . . . . . 430 ALA N . 51293 1 303 . 1 . 1 79 79 ASP H H 1 8.890 0.020 . 1 . . . . . 431 ASP H . 51293 1 304 . 1 . 1 79 79 ASP CA C 13 57.224 0.3 . 1 . . . . . 431 ASP CA . 51293 1 305 . 1 . 1 79 79 ASP CB C 13 40.309 0.3 . 1 . . . . . 431 ASP CB . 51293 1 306 . 1 . 1 79 79 ASP N N 15 117.105 0.3 . 1 . . . . . 431 ASP N . 51293 1 307 . 1 . 1 80 80 GLY H H 1 6.102 0.020 . 1 . . . . . 432 GLY H . 51293 1 308 . 1 . 1 80 80 GLY CA C 13 43.955 0.3 . 1 . . . . . 432 GLY CA . 51293 1 309 . 1 . 1 80 80 GLY N N 15 105.134 0.3 . 1 . . . . . 432 GLY N . 51293 1 310 . 1 . 1 81 81 TRP H H 1 9.307 0.020 . 1 . . . . . 433 TRP H . 51293 1 311 . 1 . 1 81 81 TRP C C 13 174.990 0.3 . 1 . . . . . 433 TRP C . 51293 1 312 . 1 . 1 81 81 TRP CA C 13 54.352 0.3 . 1 . . . . . 433 TRP CA . 51293 1 313 . 1 . 1 81 81 TRP CB C 13 34.171 0.3 . 1 . . . . . 433 TRP CB . 51293 1 314 . 1 . 1 81 81 TRP N N 15 121.312 0.3 . 1 . . . . . 433 TRP N . 51293 1 315 . 1 . 1 82 82 GLY H H 1 8.550 0.020 . 1 . . . . . 434 GLY H . 51293 1 316 . 1 . 1 82 82 GLY C C 13 173.370 0.3 . 1 . . . . . 434 GLY C . 51293 1 317 . 1 . 1 82 82 GLY CA C 13 43.411 0.3 . 1 . . . . . 434 GLY CA . 51293 1 318 . 1 . 1 82 82 GLY N N 15 108.521 0.3 . 1 . . . . . 434 GLY N . 51293 1 319 . 1 . 1 83 83 PHE H H 1 9.396 0.020 . 1 . . . . . 435 PHE H . 51293 1 320 . 1 . 1 83 83 PHE CA C 13 57.208 0.3 . 1 . . . . . 435 PHE CA . 51293 1 321 . 1 . 1 83 83 PHE CB C 13 37.627 0.3 . 1 . . . . . 435 PHE CB . 51293 1 322 . 1 . 1 83 83 PHE N N 15 131.985 0.3 . 1 . . . . . 435 PHE N . 51293 1 323 . 1 . 1 84 84 MET H H 1 8.921 0.020 . 1 . . . . . 436 MET H . 51293 1 324 . 1 . 1 84 84 MET C C 13 172.227 0.3 . 1 . . . . . 436 MET C . 51293 1 325 . 1 . 1 84 84 MET CA C 13 54.806 0.3 . 1 . . . . . 436 MET CA . 51293 1 326 . 1 . 1 84 84 MET CB C 13 38.590 0.3 . 1 . . . . . 436 MET CB . 51293 1 327 . 1 . 1 84 84 MET N N 15 124.723 0.3 . 1 . . . . . 436 MET N . 51293 1 328 . 1 . 1 85 85 PHE H H 1 9.193 0.020 . 1 . . . . . 437 PHE H . 51293 1 329 . 1 . 1 85 85 PHE C C 13 175.515 0.3 . 1 . . . . . 437 PHE C . 51293 1 330 . 1 . 1 85 85 PHE CA C 13 56.136 0.3 . 1 . . . . . 437 PHE CA . 51293 1 331 . 1 . 1 85 85 PHE CB C 13 40.063 0.3 . 1 . . . . . 437 PHE CB . 51293 1 332 . 1 . 1 85 85 PHE N N 15 123.122 0.3 . 1 . . . . . 437 PHE N . 51293 1 333 . 1 . 1 86 86 SER H H 1 9.031 0.020 . 1 . . . . . 438 SER H . 51293 1 334 . 1 . 1 86 86 SER C C 13 175.014 0.3 . 1 . . . . . 438 SER C . 51293 1 335 . 1 . 1 86 86 SER CA C 13 54.534 0.3 . 1 . . . . . 438 SER CA . 51293 1 336 . 1 . 1 86 86 SER CB C 13 65.678 0.3 . 1 . . . . . 438 SER CB . 51293 1 337 . 1 . 1 86 86 SER N N 15 113.632 0.3 . 1 . . . . . 438 SER N . 51293 1 338 . 1 . 1 87 87 LYS H H 1 9.268 0.020 . 1 . . . . . 439 LYS H . 51293 1 339 . 1 . 1 87 87 LYS C C 13 176.463 0.3 . 1 . . . . . 439 LYS C . 51293 1 340 . 1 . 1 87 87 LYS CA C 13 57.556 0.3 . 1 . . . . . 439 LYS CA . 51293 1 341 . 1 . 1 87 87 LYS CB C 13 31.306 0.3 . 1 . . . . . 439 LYS CB . 51293 1 342 . 1 . 1 87 87 LYS N N 15 127.129 0.3 . 1 . . . . . 439 LYS N . 51293 1 343 . 1 . 1 88 88 LYS H H 1 8.387 0.020 . 1 . . . . . 440 LYS H . 51293 1 344 . 1 . 1 88 88 LYS C C 13 174.916 0.3 . 1 . . . . . 440 LYS C . 51293 1 345 . 1 . 1 88 88 LYS CA C 13 54.132 0.3 . 1 . . . . . 440 LYS CA . 51293 1 346 . 1 . 1 88 88 LYS CB C 13 32.929 0.3 . 1 . . . . . 440 LYS CB . 51293 1 347 . 1 . 1 88 88 LYS N N 15 119.896 0.3 . 1 . . . . . 440 LYS N . 51293 1 348 . 1 . 1 89 89 ASP H H 1 7.407 0.020 . 1 . . . . . 441 ASP H . 51293 1 349 . 1 . 1 89 89 ASP C C 13 179.932 0.3 . 1 . . . . . 441 ASP C . 51293 1 350 . 1 . 1 89 89 ASP CA C 13 52.297 0.3 . 1 . . . . . 441 ASP CA . 51293 1 351 . 1 . 1 89 89 ASP CB C 13 43.500 0.3 . 1 . . . . . 441 ASP CB . 51293 1 352 . 1 . 1 89 89 ASP N N 15 117.345 0.3 . 1 . . . . . 441 ASP N . 51293 1 353 . 1 . 1 90 90 GLY H H 1 7.676 0.020 . 1 . . . . . 442 GLY H . 51293 1 354 . 1 . 1 90 90 GLY C C 13 174.512 0.3 . 1 . . . . . 442 GLY C . 51293 1 355 . 1 . 1 90 90 GLY CA C 13 45.980 0.3 . 1 . . . . . 442 GLY CA . 51293 1 356 . 1 . 1 90 90 GLY N N 15 105.144 0.3 . 1 . . . . . 442 GLY N . 51293 1 357 . 1 . 1 91 91 ASP H H 1 6.931 0.020 . 1 . . . . . 443 ASP H . 51293 1 358 . 1 . 1 91 91 ASP CA C 13 57.284 0.3 . 1 . . . . . 443 ASP CA . 51293 1 359 . 1 . 1 91 91 ASP CB C 13 39.981 0.3 . 1 . . . . . 443 ASP CB . 51293 1 360 . 1 . 1 91 91 ASP N N 15 122.279 0.3 . 1 . . . . . 443 ASP N . 51293 1 361 . 1 . 1 92 92 ASP H H 1 7.519 0.020 . 1 . . . . . 444 ASP H . 51293 1 362 . 1 . 1 92 92 ASP CA C 13 57.496 0.3 . 1 . . . . . 444 ASP CA . 51293 1 363 . 1 . 1 92 92 ASP CB C 13 42.846 0.3 . 1 . . . . . 444 ASP CB . 51293 1 364 . 1 . 1 92 92 ASP N N 15 122.167 0.3 . 1 . . . . . 444 ASP N . 51293 1 365 . 1 . 1 93 93 PHE H H 1 7.321 0.020 . 1 . . . . . 445 PHE H . 51293 1 366 . 1 . 1 93 93 PHE CA C 13 58.886 0.3 . 1 . . . . . 445 PHE CA . 51293 1 367 . 1 . 1 93 93 PHE CB C 13 37.117 0.3 . 1 . . . . . 445 PHE CB . 51293 1 368 . 1 . 1 93 93 PHE N N 15 121.119 0.3 . 1 . . . . . 445 PHE N . 51293 1 369 . 1 . 1 94 94 LEU H H 1 7.948 0.020 . 1 . . . . . 446 LEU H . 51293 1 370 . 1 . 1 94 94 LEU C C 13 178.177 0.3 . 1 . . . . . 446 LEU C . 51293 1 371 . 1 . 1 94 94 LEU CA C 13 56.801 0.3 . 1 . . . . . 446 LEU CA . 51293 1 372 . 1 . 1 94 94 LEU CB C 13 39.654 0.3 . 1 . . . . . 446 LEU CB . 51293 1 373 . 1 . 1 94 94 LEU N N 15 122.823 0.3 . 1 . . . . . 446 LEU N . 51293 1 374 . 1 . 1 95 95 LYS H H 1 7.372 0.020 . 1 . . . . . 447 LYS H . 51293 1 375 . 1 . 1 95 95 LYS C C 13 177.828 0.3 . 1 . . . . . 447 LYS C . 51293 1 376 . 1 . 1 95 95 LYS CA C 13 58.161 0.3 . 1 . . . . . 447 LYS CA . 51293 1 377 . 1 . 1 95 95 LYS CB C 13 33.107 0.3 . 1 . . . . . 447 LYS CB . 51293 1 378 . 1 . 1 95 95 LYS N N 15 117.565 0.3 . 1 . . . . . 447 LYS N . 51293 1 379 . 1 . 1 96 96 ASN H H 1 8.391 0.020 . 1 . . . . . 448 ASN H . 51293 1 380 . 1 . 1 96 96 ASN CA C 13 53.657 0.3 . 1 . . . . . 448 ASN CA . 51293 1 381 . 1 . 1 96 96 ASN CB C 13 40.574 0.3 . 1 . . . . . 448 ASN CB . 51293 1 382 . 1 . 1 96 96 ASN N N 15 113.701 0.3 . 1 . . . . . 448 ASN N . 51293 1 383 . 1 . 1 97 97 GLY H H 1 7.820 0.020 . 1 . . . . . 449 GLY H . 51293 1 384 . 1 . 1 97 97 GLY C C 13 174.052 0.3 . 1 . . . . . 449 GLY C . 51293 1 385 . 1 . 1 97 97 GLY CA C 13 43.683 0.3 . 1 . . . . . 449 GLY CA . 51293 1 386 . 1 . 1 97 97 GLY N N 15 109.508 0.3 . 1 . . . . . 449 GLY N . 51293 1 387 . 1 . 1 98 98 GLY H H 1 7.278 0.020 . 1 . . . . . 450 GLY H . 51293 1 388 . 1 . 1 98 98 GLY C C 13 175.919 0.3 . 1 . . . . . 450 GLY C . 51293 1 389 . 1 . 1 98 98 GLY CA C 13 44.771 0.3 . 1 . . . . . 450 GLY CA . 51293 1 390 . 1 . 1 98 98 GLY N N 15 107.180 0.3 . 1 . . . . . 450 GLY N . 51293 1 391 . 1 . 1 99 99 ILE H H 1 8.388 0.020 . 1 . . . . . 451 ILE H . 51293 1 392 . 1 . 1 99 99 ILE C C 13 175.683 0.3 . 1 . . . . . 451 ILE C . 51293 1 393 . 1 . 1 99 99 ILE CA C 13 60.819 0.3 . 1 . . . . . 451 ILE CA . 51293 1 394 . 1 . 1 99 99 ILE CB C 13 36.512 0.3 . 1 . . . . . 451 ILE CB . 51293 1 395 . 1 . 1 99 99 ILE N N 15 120.082 0.3 . 1 . . . . . 451 ILE N . 51293 1 396 . 1 . 1 103 103 LYS H H 1 7.220 0.020 . 1 . . . . . 455 LYS H . 51293 1 397 . 1 . 1 103 103 LYS C C 13 174.735 0.3 . 1 . . . . . 455 LYS C . 51293 1 398 . 1 . 1 103 103 LYS CA C 13 54.806 0.3 . 1 . . . . . 455 LYS CA . 51293 1 399 . 1 . 1 103 103 LYS CB C 13 34.580 0.3 . 1 . . . . . 455 LYS CB . 51293 1 400 . 1 . 1 103 103 LYS N N 15 125.103 0.3 . 1 . . . . . 455 LYS N . 51293 1 401 . 1 . 1 104 104 GLY H H 1 8.829 0.020 . 1 . . . . . 456 GLY H . 51293 1 402 . 1 . 1 104 104 GLY C C 13 173.495 0.3 . 1 . . . . . 456 GLY C . 51293 1 403 . 1 . 1 104 104 GLY CA C 13 44.530 0.3 . 1 . . . . . 456 GLY CA . 51293 1 404 . 1 . 1 104 104 GLY N N 15 114.718 0.3 . 1 . . . . . 456 GLY N . 51293 1 405 . 1 . 1 105 105 THR H H 1 6.511 0.020 . 1 . . . . . 457 THR H . 51293 1 406 . 1 . 1 105 105 THR C C 13 172.910 0.3 . 1 . . . . . 457 THR C . 51293 1 407 . 1 . 1 105 105 THR CA C 13 59.400 0.3 . 1 . . . . . 457 THR CA . 51293 1 408 . 1 . 1 105 105 THR CB C 13 68.543 0.3 . 1 . . . . . 457 THR CB . 51293 1 409 . 1 . 1 105 105 THR N N 15 119.129 0.3 . 1 . . . . . 457 THR N . 51293 1 410 . 1 . 1 107 107 SER H H 1 7.323 0.020 . 1 . . . . . 459 SER H . 51293 1 411 . 1 . 1 107 107 SER CA C 13 60.228 0.3 . 1 . . . . . 459 SER CA . 51293 1 412 . 1 . 1 107 107 SER N N 15 111.697 0.3 . 1 . . . . . 459 SER N . 51293 1 413 . 1 . 1 108 108 ALA H H 1 7.033 0.020 . 1 . . . . . 460 ALA H . 51293 1 414 . 1 . 1 108 108 ALA C C 13 175.599 0.3 . 1 . . . . . 460 ALA C . 51293 1 415 . 1 . 1 108 108 ALA CA C 13 51.118 0.3 . 1 . . . . . 460 ALA CA . 51293 1 416 . 1 . 1 108 108 ALA CB C 13 20.983 0.3 . 1 . . . . . 460 ALA CB . 51293 1 417 . 1 . 1 108 108 ALA N N 15 123.971 0.3 . 1 . . . . . 460 ALA N . 51293 1 418 . 1 . 1 109 109 ALA H H 1 8.259 0.020 . 1 . . . . . 461 ALA H . 51293 1 419 . 1 . 1 109 109 ALA C C 13 175.919 0.3 . 1 . . . . . 461 ALA C . 51293 1 420 . 1 . 1 109 109 ALA CA C 13 51.723 0.3 . 1 . . . . . 461 ALA CA . 51293 1 421 . 1 . 1 109 109 ALA CB C 13 24.187 0.3 . 1 . . . . . 461 ALA CB . 51293 1 422 . 1 . 1 109 109 ALA N N 15 116.828 0.3 . 1 . . . . . 461 ALA N . 51293 1 423 . 1 . 1 110 110 GLY H H 1 8.750 0.020 . 1 . . . . . 462 GLY H . 51293 1 424 . 1 . 1 110 110 GLY C C 13 170.374 0.3 . 1 . . . . . 462 GLY C . 51293 1 425 . 1 . 1 110 110 GLY CA C 13 45.859 0.3 . 1 . . . . . 462 GLY CA . 51293 1 426 . 1 . 1 110 110 GLY N N 15 103.901 0.3 . 1 . . . . . 462 GLY N . 51293 1 427 . 1 . 1 111 111 PHE H H 1 8.865 0.020 . 1 . . . . . 463 PHE H . 51293 1 428 . 1 . 1 111 111 PHE CA C 13 57.133 0.3 . 1 . . . . . 463 PHE CA . 51293 1 429 . 1 . 1 111 111 PHE CB C 13 41.864 0.3 . 1 . . . . . 463 PHE CB . 51293 1 430 . 1 . 1 111 111 PHE N N 15 121.512 0.3 . 1 . . . . . 463 PHE N . 51293 1 431 . 1 . 1 112 112 ARG H H 1 7.836 0.020 . 1 . . . . . 464 ARG H . 51293 1 432 . 1 . 1 112 112 ARG CA C 13 53.446 0.3 . 1 . . . . . 464 ARG CA . 51293 1 433 . 1 . 1 112 112 ARG CB C 13 33.843 0.3 . 1 . . . . . 464 ARG CB . 51293 1 434 . 1 . 1 112 112 ARG N N 15 133.222 0.3 . 1 . . . . . 464 ARG N . 51293 1 435 . 1 . 1 113 113 ILE H H 1 8.579 0.020 . 1 . . . . . 465 ILE H . 51293 1 436 . 1 . 1 113 113 ILE C C 13 173.509 0.3 . 1 . . . . . 465 ILE C . 51293 1 437 . 1 . 1 113 113 ILE CA C 13 60.730 0.3 . 1 . . . . . 465 ILE CA . 51293 1 438 . 1 . 1 113 113 ILE CB C 13 37.786 0.3 . 1 . . . . . 465 ILE CB . 51293 1 439 . 1 . 1 113 113 ILE N N 15 125.425 0.3 . 1 . . . . . 465 ILE N . 51293 1 440 . 1 . 1 114 114 ASP H H 1 9.259 0.020 . 1 . . . . . 466 ASP H . 51293 1 441 . 1 . 1 114 114 ASP CA C 13 53.355 0.3 . 1 . . . . . 466 ASP CA . 51293 1 442 . 1 . 1 114 114 ASP CB C 13 41.045 0.3 . 1 . . . . . 466 ASP CB . 51293 1 443 . 1 . 1 114 114 ASP N N 15 128.342 0.3 . 1 . . . . . 466 ASP N . 51293 1 444 . 1 . 1 115 115 THR H H 1 7.465 0.020 . 1 . . . . . 467 THR H . 51293 1 445 . 1 . 1 115 115 THR CA C 13 60.186 0.3 . 1 . . . . . 467 THR CA . 51293 1 446 . 1 . 1 115 115 THR CB C 13 68.625 0.3 . 1 . . . . . 467 THR CB . 51293 1 447 . 1 . 1 115 115 THR N N 15 113.003 0.3 . 1 . . . . . 467 THR N . 51293 1 448 . 1 . 1 116 116 GLY H H 1 7.364 0.020 . 1 . . . . . 468 GLY H . 51293 1 449 . 1 . 1 116 116 GLY C C 13 172.506 0.3 . 1 . . . . . 468 GLY C . 51293 1 450 . 1 . 1 116 116 GLY CA C 13 44.318 0.3 . 1 . . . . . 468 GLY CA . 51293 1 451 . 1 . 1 116 116 GLY N N 15 109.292 0.3 . 1 . . . . . 468 GLY N . 51293 1 452 . 1 . 1 117 117 TYR H H 1 9.461 0.020 . 1 . . . . . 469 TYR H . 51293 1 453 . 1 . 1 117 117 TYR CA C 13 57.345 0.3 . 1 . . . . . 469 TYR CA . 51293 1 454 . 1 . 1 117 117 TYR CB C 13 38.917 0.3 . 1 . . . . . 469 TYR CB . 51293 1 455 . 1 . 1 117 117 TYR N N 15 131.894 0.3 . 1 . . . . . 469 TYR N . 51293 1 456 . 1 . 1 123 123 LEU H H 1 8.365 0.020 . 1 . . . . . 475 LEU H . 51293 1 457 . 1 . 1 123 123 LEU C C 13 178.246 0.3 . 1 . . . . . 475 LEU C . 51293 1 458 . 1 . 1 123 123 LEU CA C 13 56.680 0.3 . 1 . . . . . 475 LEU CA . 51293 1 459 . 1 . 1 123 123 LEU CB C 13 39.981 0.3 . 1 . . . . . 475 LEU CB . 51293 1 460 . 1 . 1 123 123 LEU N N 15 122.419 0.3 . 1 . . . . . 475 LEU N . 51293 1 461 . 1 . 1 124 124 ASP H H 1 7.088 0.020 . 1 . . . . . 476 ASP H . 51293 1 462 . 1 . 1 124 124 ASP C C 13 178.762 0.3 . 1 . . . . . 476 ASP C . 51293 1 463 . 1 . 1 124 124 ASP CA C 13 56.740 0.3 . 1 . . . . . 476 ASP CA . 51293 1 464 . 1 . 1 124 124 ASP CB C 13 38.754 0.3 . 1 . . . . . 476 ASP CB . 51293 1 465 . 1 . 1 124 124 ASP N N 15 119.252 0.3 . 1 . . . . . 476 ASP N . 51293 1 466 . 1 . 1 125 125 LYS H H 1 7.118 0.020 . 1 . . . . . 477 LYS H . 51293 1 467 . 1 . 1 125 125 LYS C C 13 180.364 0.3 . 1 . . . . . 477 LYS C . 51293 1 468 . 1 . 1 125 125 LYS CA C 13 59.140 0.3 . 1 . . . . . 477 LYS CA . 51293 1 469 . 1 . 1 125 125 LYS CB C 13 31.306 0.3 . 1 . . . . . 477 LYS CB . 51293 1 470 . 1 . 1 125 125 LYS N N 15 118.409 0.3 . 1 . . . . . 477 LYS N . 51293 1 471 . 1 . 1 126 126 ILE H H 1 7.720 0.020 . 1 . . . . . 478 ILE H . 51293 1 472 . 1 . 1 126 126 ILE CA C 13 64.236 0.3 . 1 . . . . . 478 ILE CA . 51293 1 473 . 1 . 1 126 126 ILE CB C 13 37.935 0.3 . 1 . . . . . 478 ILE CB . 51293 1 474 . 1 . 1 126 126 ILE N N 15 124.317 0.3 . 1 . . . . . 478 ILE N . 51293 1 475 . 1 . 1 127 127 GLN H H 1 7.820 0.020 . 1 . . . . . 479 GLN H . 51293 1 476 . 1 . 1 127 127 GLN C C 13 176.616 0.3 . 1 . . . . . 479 GLN C . 51293 1 477 . 1 . 1 127 127 GLN CA C 13 54.836 0.3 . 1 . . . . . 479 GLN CA . 51293 1 478 . 1 . 1 127 127 GLN CB C 13 29.179 0.3 . 1 . . . . . 479 GLN CB . 51293 1 479 . 1 . 1 127 127 GLN N N 15 113.153 0.3 . 1 . . . . . 479 GLN N . 51293 1 480 . 1 . 1 128 128 LYS H H 1 7.768 0.020 . 1 . . . . . 480 LYS H . 51293 1 481 . 1 . 1 128 128 LYS C C 13 176.115 0.3 . 1 . . . . . 480 LYS C . 51293 1 482 . 1 . 1 128 128 LYS CA C 13 55.803 0.3 . 1 . . . . . 480 LYS CA . 51293 1 483 . 1 . 1 128 128 LYS CB C 13 27.296 0.3 . 1 . . . . . 480 LYS CB . 51293 1 484 . 1 . 1 128 128 LYS N N 15 115.741 0.3 . 1 . . . . . 480 LYS N . 51293 1 485 . 1 . 1 129 129 GLN H H 1 7.912 0.020 . 1 . . . . . 481 GLN H . 51293 1 486 . 1 . 1 129 129 GLN C C 13 175.864 0.3 . 1 . . . . . 481 GLN C . 51293 1 487 . 1 . 1 129 129 GLN CA C 13 57.919 0.3 . 1 . . . . . 481 GLN CA . 51293 1 488 . 1 . 1 129 129 GLN CB C 13 28.688 0.3 . 1 . . . . . 481 GLN CB . 51293 1 489 . 1 . 1 129 129 GLN N N 15 118.473 0.3 . 1 . . . . . 481 GLN N . 51293 1 490 . 1 . 1 130 130 ALA H H 1 7.787 0.020 . 1 . . . . . 482 ALA H . 51293 1 491 . 1 . 1 130 130 ALA C C 13 177.940 0.3 . 1 . . . . . 482 ALA C . 51293 1 492 . 1 . 1 130 130 ALA CA C 13 52.358 0.3 . 1 . . . . . 482 ALA CA . 51293 1 493 . 1 . 1 130 130 ALA CB C 13 16.763 0.3 . 1 . . . . . 482 ALA CB . 51293 1 494 . 1 . 1 130 130 ALA N N 15 119.326 0.3 . 1 . . . . . 482 ALA N . 51293 1 495 . 1 . 1 131 131 GLY H H 1 8.451 0.020 . 1 . . . . . 483 GLY H . 51293 1 496 . 1 . 1 131 131 GLY C C 13 172.534 0.3 . 1 . . . . . 483 GLY C . 51293 1 497 . 1 . 1 131 131 GLY CA C 13 43.804 0.3 . 1 . . . . . 483 GLY CA . 51293 1 498 . 1 . 1 131 131 GLY N N 15 108.756 0.3 . 1 . . . . . 483 GLY N . 51293 1 499 . 1 . 1 132 132 GLN H H 1 8.120 0.020 . 1 . . . . . 484 GLN H . 51293 1 500 . 1 . 1 132 132 GLN C C 13 175.933 0.3 . 1 . . . . . 484 GLN C . 51293 1 501 . 1 . 1 132 132 GLN CA C 13 55.410 0.3 . 1 . . . . . 484 GLN CA . 51293 1 502 . 1 . 1 132 132 GLN CB C 13 29.015 0.3 . 1 . . . . . 484 GLN CB . 51293 1 503 . 1 . 1 132 132 GLN N N 15 117.889 0.3 . 1 . . . . . 484 GLN N . 51293 1 504 . 1 . 1 133 133 GLY H H 1 8.218 0.020 . 1 . . . . . 485 GLY H . 51293 1 505 . 1 . 1 133 133 GLY CA C 13 44.106 0.3 . 1 . . . . . 485 GLY CA . 51293 1 506 . 1 . 1 133 133 GLY N N 15 108.410 0.3 . 1 . . . . . 485 GLY N . 51293 1 507 . 1 . 1 134 134 TYR H H 1 7.964 0.020 . 1 . . . . . 486 TYR H . 51293 1 508 . 1 . 1 134 134 TYR C C 13 174.526 0.3 . 1 . . . . . 486 TYR C . 51293 1 509 . 1 . 1 134 134 TYR CA C 13 54.383 0.3 . 1 . . . . . 486 TYR CA . 51293 1 510 . 1 . 1 134 134 TYR CB C 13 39.490 0.3 . 1 . . . . . 486 TYR CB . 51293 1 511 . 1 . 1 134 134 TYR N N 15 124.072 0.3 . 1 . . . . . 486 TYR N . 51293 1 512 . 1 . 1 135 135 ARG H H 1 7.224 0.020 . 1 . . . . . 487 ARG H . 51293 1 513 . 1 . 1 135 135 ARG C C 13 176.379 0.3 . 1 . . . . . 487 ARG C . 51293 1 514 . 1 . 1 135 135 ARG CA C 13 57.677 0.3 . 1 . . . . . 487 ARG CA . 51293 1 515 . 1 . 1 135 135 ARG CB C 13 31.143 0.3 . 1 . . . . . 487 ARG CB . 51293 1 516 . 1 . 1 135 135 ARG N N 15 119.622 0.3 . 1 . . . . . 487 ARG N . 51293 1 517 . 1 . 1 136 136 GLY H H 1 8.237 0.020 . 1 . . . . . 488 GLY H . 51293 1 518 . 1 . 1 136 136 GLY C C 13 172.994 0.3 . 1 . . . . . 488 GLY C . 51293 1 519 . 1 . 1 136 136 GLY CA C 13 45.285 0.3 . 1 . . . . . 488 GLY CA . 51293 1 520 . 1 . 1 136 136 GLY N N 15 114.242 0.3 . 1 . . . . . 488 GLY N . 51293 1 521 . 1 . 1 137 137 TYR H H 1 8.205 0.020 . 1 . . . . . 489 TYR H . 51293 1 522 . 1 . 1 137 137 TYR C C 13 172.645 0.3 . 1 . . . . . 489 TYR C . 51293 1 523 . 1 . 1 137 137 TYR CA C 13 56.710 0.3 . 1 . . . . . 489 TYR CA . 51293 1 524 . 1 . 1 137 137 TYR CB C 13 38.263 0.3 . 1 . . . . . 489 TYR CB . 51293 1 525 . 1 . 1 137 137 TYR N N 15 114.616 0.3 . 1 . . . . . 489 TYR N . 51293 1 526 . 1 . 1 138 138 GLY H H 1 8.790 0.020 . 1 . . . . . 490 GLY H . 51293 1 527 . 1 . 1 138 138 GLY C C 13 172.088 0.3 . 1 . . . . . 490 GLY C . 51293 1 528 . 1 . 1 138 138 GLY CA C 13 41.779 0.3 . 1 . . . . . 490 GLY CA . 51293 1 529 . 1 . 1 138 138 GLY N N 15 107.550 0.3 . 1 . . . . . 490 GLY N . 51293 1 530 . 1 . 1 139 139 THR H H 1 7.029 0.020 . 1 . . . . . 491 THR H . 51293 1 531 . 1 . 1 139 139 THR C C 13 172.408 0.3 . 1 . . . . . 491 THR C . 51293 1 532 . 1 . 1 139 139 THR CA C 13 61.153 0.3 . 1 . . . . . 491 THR CA . 51293 1 533 . 1 . 1 139 139 THR CB C 13 66.170 0.3 . 1 . . . . . 491 THR CB . 51293 1 534 . 1 . 1 139 139 THR N N 15 110.593 0.3 . 1 . . . . . 491 THR N . 51293 1 535 . 1 . 1 140 140 PHE H H 1 9.150 0.020 . 1 . . . . . 492 PHE H . 51293 1 536 . 1 . 1 140 140 PHE C C 13 178.358 0.3 . 1 . . . . . 492 PHE C . 51293 1 537 . 1 . 1 140 140 PHE CA C 13 60.790 0.3 . 1 . . . . . 492 PHE CA . 51293 1 538 . 1 . 1 140 140 PHE CB C 13 39.490 0.3 . 1 . . . . . 492 PHE CB . 51293 1 539 . 1 . 1 140 140 PHE N N 15 125.817 0.3 . 1 . . . . . 492 PHE N . 51293 1 540 . 1 . 1 141 141 VAL H H 1 9.101 0.020 . 1 . . . . . 493 VAL H . 51293 1 541 . 1 . 1 141 141 VAL C C 13 173.370 0.3 . 1 . . . . . 493 VAL C . 51293 1 542 . 1 . 1 141 141 VAL CA C 13 59.339 0.3 . 1 . . . . . 493 VAL CA . 51293 1 543 . 1 . 1 141 141 VAL CB C 13 36.953 0.3 . 1 . . . . . 493 VAL CB . 51293 1 544 . 1 . 1 141 141 VAL N N 15 114.464 0.3 . 1 . . . . . 493 VAL N . 51293 1 545 . 1 . 1 142 142 LYS H H 1 8.811 0.020 . 1 . . . . . 494 LYS H . 51293 1 546 . 1 . 1 142 142 LYS C C 13 172.826 0.3 . 1 . . . . . 494 LYS C . 51293 1 547 . 1 . 1 142 142 LYS CA C 13 54.201 0.3 . 1 . . . . . 494 LYS CA . 51293 1 548 . 1 . 1 142 142 LYS N N 15 116.556 0.3 . 1 . . . . . 494 LYS N . 51293 1 549 . 1 . 1 143 143 ASN H H 1 8.930 0.020 . 1 . . . . . 495 ASN H . 51293 1 550 . 1 . 1 143 143 ASN C C 13 176.686 0.3 . 1 . . . . . 495 ASN C . 51293 1 551 . 1 . 1 143 143 ASN CA C 13 49.758 0.3 . 1 . . . . . 495 ASN CA . 51293 1 552 . 1 . 1 143 143 ASN CB C 13 38.263 0.3 . 1 . . . . . 495 ASN CB . 51293 1 553 . 1 . 1 143 143 ASN N N 15 122.004 0.3 . 1 . . . . . 495 ASN N . 51293 1 554 . 1 . 1 144 144 ASP H H 1 8.517 0.020 . 1 . . . . . 496 ASP H . 51293 1 555 . 1 . 1 144 144 ASP C C 13 178.899 0.3 . 1 . . . . . 496 ASP C . 51293 1 556 . 1 . 1 144 144 ASP CA C 13 52.448 0.3 . 1 . . . . . 496 ASP CA . 51293 1 557 . 1 . 1 144 144 ASP CB C 13 40.016 0.3 . 1 . . . . . 496 ASP CB . 51293 1 558 . 1 . 1 144 144 ASP N N 15 122.460 0.3 . 1 . . . . . 496 ASP N . 51293 1 559 . 1 . 1 146 146 GLN H H 1 8.270 0.020 . 1 . . . . . 498 GLN H . 51293 1 560 . 1 . 1 146 146 GLN C C 13 175.892 0.3 . 1 . . . . . 498 GLN C . 51293 1 561 . 1 . 1 146 146 GLN CA C 13 55.048 0.3 . 1 . . . . . 498 GLN CA . 51293 1 562 . 1 . 1 146 146 GLN CB C 13 29.015 0.3 . 1 . . . . . 498 GLN CB . 51293 1 563 . 1 . 1 146 146 GLN N N 15 119.926 0.3 . 1 . . . . . 498 GLN N . 51293 1 564 . 1 . 1 147 147 GLY H H 1 8.114 0.020 . 1 . . . . . 499 GLY H . 51293 1 565 . 1 . 1 147 147 GLY C C 13 173.286 0.3 . 1 . . . . . 499 GLY C . 51293 1 566 . 1 . 1 147 147 GLY CA C 13 44.922 0.3 . 1 . . . . . 499 GLY CA . 51293 1 567 . 1 . 1 147 147 GLY N N 15 108.518 0.3 . 1 . . . . . 499 GLY N . 51293 1 568 . 1 . 1 148 148 ASN H H 1 8.343 0.020 . 1 . . . . . 500 ASN H . 51293 1 569 . 1 . 1 148 148 ASN C C 13 175.864 0.3 . 1 . . . . . 500 ASN C . 51293 1 570 . 1 . 1 148 148 ASN CA C 13 54.745 0.3 . 1 . . . . . 500 ASN CA . 51293 1 571 . 1 . 1 148 148 ASN CB C 13 38.215 0.3 . 1 . . . . . 500 ASN CB . 51293 1 572 . 1 . 1 148 148 ASN N N 15 120.102 0.3 . 1 . . . . . 500 ASN N . 51293 1 573 . 1 . 1 149 149 THR H H 1 8.358 0.020 . 1 . . . . . 501 THR H . 51293 1 574 . 1 . 1 149 149 THR C C 13 175.292 0.3 . 1 . . . . . 501 THR C . 51293 1 575 . 1 . 1 149 149 THR CA C 13 62.604 0.3 . 1 . . . . . 501 THR CA . 51293 1 576 . 1 . 1 149 149 THR CB C 13 69.034 0.3 . 1 . . . . . 501 THR CB . 51293 1 577 . 1 . 1 149 149 THR N N 15 127.064 0.3 . 1 . . . . . 501 THR N . 51293 1 578 . 1 . 1 150 150 SER H H 1 9.320 0.020 . 1 . . . . . 502 SER H . 51293 1 579 . 1 . 1 150 150 SER C C 13 172.910 0.3 . 1 . . . . . 502 SER C . 51293 1 580 . 1 . 1 150 150 SER CA C 13 57.254 0.3 . 1 . . . . . 502 SER CA . 51293 1 581 . 1 . 1 150 150 SER CB C 13 65.924 0.3 . 1 . . . . . 502 SER CB . 51293 1 582 . 1 . 1 150 150 SER N N 15 120.562 0.3 . 1 . . . . . 502 SER N . 51293 1 583 . 1 . 1 151 151 LYS H H 1 8.809 0.020 . 1 . . . . . 503 LYS H . 51293 1 584 . 1 . 1 151 151 LYS C C 13 176.379 0.3 . 1 . . . . . 503 LYS C . 51293 1 585 . 1 . 1 151 151 LYS CA C 13 57.133 0.3 . 1 . . . . . 503 LYS CA . 51293 1 586 . 1 . 1 151 151 LYS CB C 13 31.628 0.3 . 1 . . . . . 503 LYS CB . 51293 1 587 . 1 . 1 151 151 LYS N N 15 122.012 0.3 . 1 . . . . . 503 LYS N . 51293 1 588 . 1 . 1 152 152 VAL H H 1 7.611 0.020 . 1 . . . . . 504 VAL H . 51293 1 589 . 1 . 1 152 152 VAL C C 13 175.167 0.3 . 1 . . . . . 504 VAL C . 51293 1 590 . 1 . 1 152 152 VAL CA C 13 58.493 0.3 . 1 . . . . . 504 VAL CA . 51293 1 591 . 1 . 1 152 152 VAL CB C 13 35.317 0.3 . 1 . . . . . 504 VAL CB . 51293 1 592 . 1 . 1 152 152 VAL N N 15 119.332 0.3 . 1 . . . . . 504 VAL N . 51293 1 593 . 1 . 1 153 153 GLY H H 1 8.395 0.020 . 1 . . . . . 505 GLY H . 51293 1 594 . 1 . 1 153 153 GLY C C 13 174.972 0.3 . 1 . . . . . 505 GLY C . 51293 1 595 . 1 . 1 153 153 GLY CA C 13 44.862 0.3 . 1 . . . . . 505 GLY CA . 51293 1 596 . 1 . 1 153 153 GLY N N 15 106.621 0.3 . 1 . . . . . 505 GLY N . 51293 1 597 . 1 . 1 154 154 SER H H 1 9.276 0.020 . 1 . . . . . 506 SER H . 51293 1 598 . 1 . 1 154 154 SER C C 13 176.491 0.3 . 1 . . . . . 506 SER C . 51293 1 599 . 1 . 1 154 154 SER CA C 13 59.763 0.3 . 1 . . . . . 506 SER CA . 51293 1 600 . 1 . 1 154 154 SER CB C 13 65.269 0.3 . 1 . . . . . 506 SER CB . 51293 1 601 . 1 . 1 154 154 SER N N 15 116.829 0.3 . 1 . . . . . 506 SER N . 51293 1 602 . 1 . 1 155 155 GLY H H 1 8.807 0.020 . 1 . . . . . 507 GLY H . 51293 1 603 . 1 . 1 155 155 GLY C C 13 173.133 0.3 . 1 . . . . . 507 GLY C . 51293 1 604 . 1 . 1 155 155 GLY CA C 13 45.074 0.3 . 1 . . . . . 507 GLY CA . 51293 1 605 . 1 . 1 155 155 GLY N N 15 110.271 0.3 . 1 . . . . . 507 GLY N . 51293 1 606 . 1 . 1 156 156 THR H H 1 7.710 0.020 . 1 . . . . . 508 THR H . 51293 1 607 . 1 . 1 156 156 THR C C 13 173.439 0.3 . 1 . . . . . 508 THR C . 51293 1 608 . 1 . 1 156 156 THR CA C 13 58.735 0.3 . 1 . . . . . 508 THR CA . 51293 1 609 . 1 . 1 156 156 THR CB C 13 69.198 0.3 . 1 . . . . . 508 THR CB . 51293 1 610 . 1 . 1 156 156 THR N N 15 112.043 0.3 . 1 . . . . . 508 THR N . 51293 1 611 . 1 . 1 158 158 SER H H 1 7.989 0.020 . 1 . . . . . 510 SER H . 51293 1 612 . 1 . 1 158 158 SER CA C 13 60.850 0.3 . 1 . . . . . 510 SER CA . 51293 1 613 . 1 . 1 158 158 SER CB C 13 62.732 0.3 . 1 . . . . . 510 SER CB . 51293 1 614 . 1 . 1 158 158 SER N N 15 108.935 0.3 . 1 . . . . . 510 SER N . 51293 1 615 . 1 . 1 159 159 THR H H 1 7.723 0.020 . 1 . . . . . 511 THR H . 51293 1 616 . 1 . 1 159 159 THR C C 13 176.421 0.3 . 1 . . . . . 511 THR C . 51293 1 617 . 1 . 1 159 159 THR CA C 13 63.692 0.3 . 1 . . . . . 511 THR CA . 51293 1 618 . 1 . 1 159 159 THR CB C 13 68.379 0.3 . 1 . . . . . 511 THR CB . 51293 1 619 . 1 . 1 159 159 THR N N 15 113.085 0.3 . 1 . . . . . 511 THR N . 51293 1 620 . 1 . 1 160 160 ASP H H 1 9.259 0.020 . 1 . . . . . 512 ASP H . 51293 1 621 . 1 . 1 160 160 ASP CA C 13 56.226 0.3 . 1 . . . . . 512 ASP CA . 51293 1 622 . 1 . 1 160 160 ASP CB C 13 40.882 0.3 . 1 . . . . . 512 ASP CB . 51293 1 623 . 1 . 1 160 160 ASP N N 15 124.669 0.3 . 1 . . . . . 512 ASP N . 51293 1 624 . 1 . 1 161 161 PHE H H 1 6.887 0.020 . 1 . . . . . 513 PHE H . 51293 1 625 . 1 . 1 161 161 PHE C C 13 174.554 0.3 . 1 . . . . . 513 PHE C . 51293 1 626 . 1 . 1 161 161 PHE CA C 13 59.823 0.3 . 1 . . . . . 513 PHE CA . 51293 1 627 . 1 . 1 161 161 PHE CB C 13 39.490 0.3 . 1 . . . . . 513 PHE CB . 51293 1 628 . 1 . 1 161 161 PHE N N 15 117.415 0.3 . 1 . . . . . 513 PHE N . 51293 1 629 . 1 . 1 162 162 LEU H H 1 7.554 0.020 . 1 . . . . . 514 LEU H . 51293 1 630 . 1 . 1 162 162 LEU C C 13 174.052 0.3 . 1 . . . . . 514 LEU C . 51293 1 631 . 1 . 1 162 162 LEU CA C 13 53.929 0.3 . 1 . . . . . 514 LEU CA . 51293 1 632 . 1 . 1 162 162 LEU CB C 13 43.828 0.3 . 1 . . . . . 514 LEU CB . 51293 1 633 . 1 . 1 162 162 LEU N N 15 125.196 0.3 . 1 . . . . . 514 LEU N . 51293 1 634 . 1 . 1 163 163 ASN H H 1 8.230 0.020 . 1 . . . . . 515 ASN H . 51293 1 635 . 1 . 1 163 163 ASN C C 13 176.323 0.3 . 1 . . . . . 515 ASN C . 51293 1 636 . 1 . 1 163 163 ASN CA C 13 51.934 0.3 . 1 . . . . . 515 ASN CA . 51293 1 637 . 1 . 1 163 163 ASN CB C 13 38.999 0.3 . 1 . . . . . 515 ASN CB . 51293 1 638 . 1 . 1 163 163 ASN N N 15 119.123 0.3 . 1 . . . . . 515 ASN N . 51293 1 639 . 1 . 1 164 164 TYR H H 1 7.821 0.020 . 1 . . . . . 516 TYR H . 51293 1 640 . 1 . 1 164 164 TYR C C 13 172.255 0.3 . 1 . . . . . 516 TYR C . 51293 1 641 . 1 . 1 164 164 TYR CA C 13 58.463 0.3 . 1 . . . . . 516 TYR CA . 51293 1 642 . 1 . 1 164 164 TYR CB C 13 37.608 0.3 . 1 . . . . . 516 TYR CB . 51293 1 643 . 1 . 1 164 164 TYR N N 15 121.906 0.3 . 1 . . . . . 516 TYR N . 51293 1 644 . 1 . 1 165 165 ALA H H 1 7.404 0.020 . 1 . . . . . 517 ALA H . 51293 1 645 . 1 . 1 165 165 ALA C C 13 173.690 0.3 . 1 . . . . . 517 ALA C . 51293 1 646 . 1 . 1 165 165 ALA CA C 13 50.816 0.3 . 1 . . . . . 517 ALA CA . 51293 1 647 . 1 . 1 165 165 ALA CB C 13 19.767 0.3 . 1 . . . . . 517 ALA CB . 51293 1 648 . 1 . 1 165 165 ALA N N 15 121.774 0.3 . 1 . . . . . 517 ALA N . 51293 1 649 . 1 . 1 166 166 ASP H H 1 8.062 0.020 . 1 . . . . . 518 ASP H . 51293 1 650 . 1 . 1 166 166 ASP C C 13 173.885 0.3 . 1 . . . . . 518 ASP C . 51293 1 651 . 1 . 1 166 166 ASP CA C 13 53.143 0.3 . 1 . . . . . 518 ASP CA . 51293 1 652 . 1 . 1 166 166 ASP CB C 13 41.864 0.3 . 1 . . . . . 518 ASP CB . 51293 1 653 . 1 . 1 166 166 ASP N N 15 114.552 0.3 . 1 . . . . . 518 ASP N . 51293 1 654 . 1 . 1 167 167 ASN H H 1 8.219 0.020 . 1 . . . . . 519 ASN H . 51293 1 655 . 1 . 1 167 167 ASN CA C 13 52.207 0.3 . 1 . . . . . 519 ASN CA . 51293 1 656 . 1 . 1 167 167 ASN N N 15 113.731 0.3 . 1 . . . . . 519 ASN N . 51293 1 657 . 1 . 1 168 168 THR H H 1 8.334 0.020 . 1 . . . . . 520 THR H . 51293 1 658 . 1 . 1 168 168 THR C C 13 174.777 0.3 . 1 . . . . . 520 THR C . 51293 1 659 . 1 . 1 168 168 THR CA C 13 62.634 0.3 . 1 . . . . . 520 THR CA . 51293 1 660 . 1 . 1 168 168 THR CB C 13 69.443 0.3 . 1 . . . . . 520 THR CB . 51293 1 661 . 1 . 1 168 168 THR N N 15 115.800 0.3 . 1 . . . . . 520 THR N . 51293 1 662 . 1 . 1 171 171 ASP H H 1 8.299 0.020 . 1 . . . . . 523 ASP H . 51293 1 663 . 1 . 1 171 171 ASP CA C 13 53.718 0.3 . 1 . . . . . 523 ASP CA . 51293 1 664 . 1 . 1 171 171 ASP CB C 13 40.309 0.3 . 1 . . . . . 523 ASP CB . 51293 1 665 . 1 . 1 171 171 ASP N N 15 120.928 0.3 . 1 . . . . . 523 ASP N . 51293 1 666 . 1 . 1 172 172 LEU H H 1 8.117 0.020 . 1 . . . . . 524 LEU H . 51293 1 667 . 1 . 1 172 172 LEU C C 13 177.173 0.3 . 1 . . . . . 524 LEU C . 51293 1 668 . 1 . 1 172 172 LEU CA C 13 54.534 0.3 . 1 . . . . . 524 LEU CA . 51293 1 669 . 1 . 1 172 172 LEU CB C 13 40.227 0.3 . 1 . . . . . 524 LEU CB . 51293 1 670 . 1 . 1 172 172 LEU N N 15 122.145 0.3 . 1 . . . . . 524 LEU N . 51293 1 671 . 1 . 1 173 173 ASP H H 1 7.848 0.020 . 1 . . . . . 525 ASP H . 51293 1 672 . 1 . 1 173 173 ASP C C 13 177.954 0.3 . 1 . . . . . 525 ASP C . 51293 1 673 . 1 . 1 173 173 ASP CA C 13 53.627 0.3 . 1 . . . . . 525 ASP CA . 51293 1 674 . 1 . 1 173 173 ASP N N 15 119.278 0.3 . 1 . . . . . 525 ASP N . 51293 1 675 . 1 . 1 174 174 GLY H H 1 8.513 0.020 . 1 . . . . . 526 GLY H . 51293 1 676 . 1 . 1 174 174 GLY C C 13 174.666 0.3 . 1 . . . . . 526 GLY C . 51293 1 677 . 1 . 1 174 174 GLY CA C 13 45.406 0.3 . 1 . . . . . 526 GLY CA . 51293 1 678 . 1 . 1 174 174 GLY N N 15 110.000 0.3 . 1 . . . . . 526 GLY N . 51293 1 679 . 1 . 1 175 175 LYS H H 1 7.685 0.020 . 1 . . . . . 527 LYS H . 51293 1 680 . 1 . 1 175 175 LYS C C 13 175.000 0.3 . 1 . . . . . 527 LYS C . 51293 1 681 . 1 . 1 175 175 LYS CA C 13 54.352 0.3 . 1 . . . . . 527 LYS CA . 51293 1 682 . 1 . 1 175 175 LYS CB C 13 33.025 0.3 . 1 . . . . . 527 LYS CB . 51293 1 683 . 1 . 1 175 175 LYS N N 15 120.531 0.3 . 1 . . . . . 527 LYS N . 51293 1 684 . 1 . 1 176 176 PHE H H 1 8.009 0.020 . 1 . . . . . 528 PHE H . 51293 1 685 . 1 . 1 176 176 PHE C C 13 174.317 0.3 . 1 . . . . . 528 PHE C . 51293 1 686 . 1 . 1 176 176 PHE CA C 13 58.191 0.3 . 1 . . . . . 528 PHE CA . 51293 1 687 . 1 . 1 176 176 PHE CB C 13 38.590 0.3 . 1 . . . . . 528 PHE CB . 51293 1 688 . 1 . 1 176 176 PHE N N 15 120.189 0.3 . 1 . . . . . 528 PHE N . 51293 1 689 . 1 . 1 177 177 HIS H H 1 8.089 0.020 . 1 . . . . . 529 HIS H . 51293 1 690 . 1 . 1 177 177 HIS C C 13 176.282 0.3 . 1 . . . . . 529 HIS C . 51293 1 691 . 1 . 1 177 177 HIS CA C 13 53.053 0.3 . 1 . . . . . 529 HIS CA . 51293 1 692 . 1 . 1 177 177 HIS CB C 13 28.115 0.3 . 1 . . . . . 529 HIS CB . 51293 1 693 . 1 . 1 177 177 HIS N N 15 126.901 0.3 . 1 . . . . . 529 HIS N . 51293 1 694 . 1 . 1 178 178 GLY H H 1 9.392 0.020 . 1 . . . . . 530 GLY H . 51293 1 695 . 1 . 1 178 178 GLY C C 13 174.638 0.3 . 1 . . . . . 530 GLY C . 51293 1 696 . 1 . 1 178 178 GLY CA C 13 47.824 0.3 . 1 . . . . . 530 GLY CA . 51293 1 697 . 1 . 1 178 178 GLY N N 15 113.461 0.3 . 1 . . . . . 530 GLY N . 51293 1 698 . 1 . 1 179 179 GLN H H 1 9.434 0.020 . 1 . . . . . 531 GLN H . 51293 1 699 . 1 . 1 179 179 GLN C C 13 176.240 0.3 . 1 . . . . . 531 GLN C . 51293 1 700 . 1 . 1 179 179 GLN CA C 13 56.075 0.3 . 1 . . . . . 531 GLN CA . 51293 1 701 . 1 . 1 179 179 GLN CB C 13 25.250 0.3 . 1 . . . . . 531 GLN CB . 51293 1 702 . 1 . 1 179 179 GLN N N 15 119.774 0.3 . 1 . . . . . 531 GLN N . 51293 1 703 . 1 . 1 180 180 LYS H H 1 7.738 0.020 . 1 . . . . . 532 LYS H . 51293 1 704 . 1 . 1 180 180 LYS C C 13 174.721 0.3 . 1 . . . . . 532 LYS C . 51293 1 705 . 1 . 1 180 180 LYS CA C 13 53.264 0.3 . 1 . . . . . 532 LYS CA . 51293 1 706 . 1 . 1 180 180 LYS CB C 13 30.570 0.3 . 1 . . . . . 532 LYS CB . 51293 1 707 . 1 . 1 180 180 LYS N N 15 123.157 0.3 . 1 . . . . . 532 LYS N . 51293 1 708 . 1 . 1 181 181 LEU H H 1 7.675 0.020 . 1 . . . . . 533 LEU H . 51293 1 709 . 1 . 1 181 181 LEU C C 13 177.452 0.3 . 1 . . . . . 533 LEU C . 51293 1 710 . 1 . 1 181 181 LEU CA C 13 55.048 0.3 . 1 . . . . . 533 LEU CA . 51293 1 711 . 1 . 1 181 181 LEU CB C 13 40.718 0.3 . 1 . . . . . 533 LEU CB . 51293 1 712 . 1 . 1 181 181 LEU N N 15 116.304 0.3 . 1 . . . . . 533 LEU N . 51293 1 713 . 1 . 1 182 182 ASN H H 1 8.836 0.020 . 1 . . . . . 534 ASN H . 51293 1 714 . 1 . 1 182 182 ASN CA C 13 52.992 0.3 . 1 . . . . . 534 ASN CA . 51293 1 715 . 1 . 1 182 182 ASN CB C 13 43.431 0.3 . 1 . . . . . 534 ASN CB . 51293 1 716 . 1 . 1 182 182 ASN N N 15 122.058 0.3 . 1 . . . . . 534 ASN N . 51293 1 717 . 1 . 1 183 183 ASN H H 1 9.130 0.020 . 1 . . . . . 535 ASN H . 51293 1 718 . 1 . 1 183 183 ASN CA C 13 55.561 0.3 . 1 . . . . . 535 ASN CA . 51293 1 719 . 1 . 1 183 183 ASN CB C 13 40.309 0.3 . 1 . . . . . 535 ASN CB . 51293 1 720 . 1 . 1 183 183 ASN N N 15 121.246 0.3 . 1 . . . . . 535 ASN N . 51293 1 721 . 1 . 1 184 184 VAL H H 1 9.395 0.020 . 1 . . . . . 536 VAL H . 51293 1 722 . 1 . 1 184 184 VAL C C 13 173.927 0.3 . 1 . . . . . 536 VAL C . 51293 1 723 . 1 . 1 184 184 VAL CA C 13 61.062 0.3 . 1 . . . . . 536 VAL CA . 51293 1 724 . 1 . 1 184 184 VAL CB C 13 32.534 0.3 . 1 . . . . . 536 VAL CB . 51293 1 725 . 1 . 1 184 184 VAL N N 15 130.247 0.3 . 1 . . . . . 536 VAL N . 51293 1 726 . 1 . 1 185 185 ASN H H 1 8.248 0.020 . 1 . . . . . 537 ASN H . 51293 1 727 . 1 . 1 185 185 ASN C C 13 173.439 0.3 . 1 . . . . . 537 ASN C . 51293 1 728 . 1 . 1 185 185 ASN CA C 13 50.333 0.3 . 1 . . . . . 537 ASN CA . 51293 1 729 . 1 . 1 185 185 ASN CB C 13 42.166 0.3 . 1 . . . . . 537 ASN CB . 51293 1 730 . 1 . 1 185 185 ASN N N 15 122.467 0.3 . 1 . . . . . 537 ASN N . 51293 1 731 . 1 . 1 186 186 LEU H H 1 9.001 0.020 . 1 . . . . . 538 LEU H . 51293 1 732 . 1 . 1 186 186 LEU C C 13 172.924 0.3 . 1 . . . . . 538 LEU C . 51293 1 733 . 1 . 1 186 186 LEU CA C 13 53.627 0.3 . 1 . . . . . 538 LEU CA . 51293 1 734 . 1 . 1 186 186 LEU CB C 13 44.401 0.3 . 1 . . . . . 538 LEU CB . 51293 1 735 . 1 . 1 186 186 LEU N N 15 128.213 0.3 . 1 . . . . . 538 LEU N . 51293 1 736 . 1 . 1 187 187 LYS H H 1 9.360 0.020 . 1 . . . . . 539 LYS H . 51293 1 737 . 1 . 1 187 187 LYS C C 13 174.331 0.3 . 1 . . . . . 539 LYS C . 51293 1 738 . 1 . 1 187 187 LYS CA C 13 54.413 0.3 . 1 . . . . . 539 LYS CA . 51293 1 739 . 1 . 1 187 187 LYS CB C 13 35.562 0.3 . 1 . . . . . 539 LYS CB . 51293 1 740 . 1 . 1 187 187 LYS N N 15 126.602 0.3 . 1 . . . . . 539 LYS N . 51293 1 741 . 1 . 1 188 188 TYR H H 1 9.640 0.020 . 1 . . . . . 540 TYR H . 51293 1 742 . 1 . 1 188 188 TYR C C 13 173.593 0.3 . 1 . . . . . 540 TYR C . 51293 1 743 . 1 . 1 188 188 TYR CA C 13 56.438 0.3 . 1 . . . . . 540 TYR CA . 51293 1 744 . 1 . 1 188 188 TYR CB C 13 41.209 0.3 . 1 . . . . . 540 TYR CB . 51293 1 745 . 1 . 1 188 188 TYR N N 15 124.704 0.3 . 1 . . . . . 540 TYR N . 51293 1 746 . 1 . 1 189 189 ASN H H 1 7.280 0.020 . 1 . . . . . 541 ASN H . 51293 1 747 . 1 . 1 189 189 ASN CA C 13 50.212 0.3 . 1 . . . . . 541 ASN CA . 51293 1 748 . 1 . 1 189 189 ASN CB C 13 39.163 0.3 . 1 . . . . . 541 ASN CB . 51293 1 749 . 1 . 1 189 189 ASN N N 15 128.439 0.3 . 1 . . . . . 541 ASN N . 51293 1 750 . 1 . 1 190 190 ALA H H 1 8.720 0.020 . 1 . . . . . 542 ALA H . 51293 1 751 . 1 . 1 190 190 ALA C C 13 179.932 0.3 . 1 . . . . . 542 ALA C . 51293 1 752 . 1 . 1 190 190 ALA CA C 13 53.567 0.3 . 1 . . . . . 542 ALA CA . 51293 1 753 . 1 . 1 190 190 ALA CB C 13 16.821 0.3 . 1 . . . . . 542 ALA CB . 51293 1 754 . 1 . 1 190 190 ALA N N 15 126.374 0.3 . 1 . . . . . 542 ALA N . 51293 1 755 . 1 . 1 191 191 SER H H 1 8.546 0.020 . 1 . . . . . 543 SER H . 51293 1 756 . 1 . 1 191 191 SER CA C 13 61.002 0.3 . 1 . . . . . 543 SER CA . 51293 1 757 . 1 . 1 191 191 SER CB C 13 61.996 0.3 . 1 . . . . . 543 SER CB . 51293 1 758 . 1 . 1 191 191 SER N N 15 114.845 0.3 . 1 . . . . . 543 SER N . 51293 1 759 . 1 . 1 192 192 ASN H H 1 7.035 0.020 . 1 . . . . . 544 ASN H . 51293 1 760 . 1 . 1 192 192 ASN C C 13 175.738 0.3 . 1 . . . . . 544 ASN C . 51293 1 761 . 1 . 1 192 192 ASN CA C 13 51.209 0.3 . 1 . . . . . 544 ASN CA . 51293 1 762 . 1 . 1 192 192 ASN CB C 13 37.363 0.3 . 1 . . . . . 544 ASN CB . 51293 1 763 . 1 . 1 192 192 ASN N N 15 116.438 0.3 . 1 . . . . . 544 ASN N . 51293 1 764 . 1 . 1 193 193 GLN H H 1 7.664 0.020 . 1 . . . . . 545 GLN H . 51293 1 765 . 1 . 1 193 193 GLN C C 13 174.401 0.3 . 1 . . . . . 545 GLN C . 51293 1 766 . 1 . 1 193 193 GLN CA C 13 56.317 0.3 . 1 . . . . . 545 GLN CA . 51293 1 767 . 1 . 1 193 193 GLN CB C 13 25.741 0.3 . 1 . . . . . 545 GLN CB . 51293 1 768 . 1 . 1 193 193 GLN N N 15 119.326 0.3 . 1 . . . . . 545 GLN N . 51293 1 769 . 1 . 1 194 194 THR H H 1 7.417 0.020 . 1 . . . . . 546 THR H . 51293 1 770 . 1 . 1 194 194 THR C C 13 173.718 0.3 . 1 . . . . . 546 THR C . 51293 1 771 . 1 . 1 194 194 THR CA C 13 62.936 0.3 . 1 . . . . . 546 THR CA . 51293 1 772 . 1 . 1 194 194 THR CB C 13 70.589 0.3 . 1 . . . . . 546 THR CB . 51293 1 773 . 1 . 1 194 194 THR N N 15 111.042 0.3 . 1 . . . . . 546 THR N . 51293 1 774 . 1 . 1 195 195 PHE H H 1 9.720 0.020 . 1 . . . . . 547 PHE H . 51293 1 775 . 1 . 1 195 195 PHE C C 13 175.432 0.3 . 1 . . . . . 547 PHE C . 51293 1 776 . 1 . 1 195 195 PHE CA C 13 56.831 0.3 . 1 . . . . . 547 PHE CA . 51293 1 777 . 1 . 1 195 195 PHE CB C 13 41.782 0.3 . 1 . . . . . 547 PHE CB . 51293 1 778 . 1 . 1 195 195 PHE N N 15 129.357 0.3 . 1 . . . . . 547 PHE N . 51293 1 779 . 1 . 1 196 196 THR H H 1 9.548 0.020 . 1 . . . . . 548 THR H . 51293 1 780 . 1 . 1 196 196 THR C C 13 173.885 0.3 . 1 . . . . . 548 THR C . 51293 1 781 . 1 . 1 196 196 THR CA C 13 61.183 0.3 . 1 . . . . . 548 THR CA . 51293 1 782 . 1 . 1 196 196 THR CB C 13 70.916 0.3 . 1 . . . . . 548 THR CB . 51293 1 783 . 1 . 1 196 196 THR N N 15 116.796 0.3 . 1 . . . . . 548 THR N . 51293 1 784 . 1 . 1 197 197 ALA H H 1 9.637 0.020 . 1 . . . . . 549 ALA H . 51293 1 785 . 1 . 1 197 197 ALA C C 13 176.435 0.3 . 1 . . . . . 549 ALA C . 51293 1 786 . 1 . 1 197 197 ALA CA C 13 49.486 0.3 . 1 . . . . . 549 ALA CA . 51293 1 787 . 1 . 1 197 197 ALA CB C 13 20.340 0.3 . 1 . . . . . 549 ALA CB . 51293 1 788 . 1 . 1 197 197 ALA N N 15 130.490 0.3 . 1 . . . . . 549 ALA N . 51293 1 789 . 1 . 1 198 198 THR H H 1 8.923 0.020 . 1 . . . . . 550 THR H . 51293 1 790 . 1 . 1 198 198 THR C C 13 173.927 0.3 . 1 . . . . . 550 THR C . 51293 1 791 . 1 . 1 198 198 THR CA C 13 59.611 0.3 . 1 . . . . . 550 THR CA . 51293 1 792 . 1 . 1 198 198 THR CB C 13 71.325 0.3 . 1 . . . . . 550 THR CB . 51293 1 793 . 1 . 1 198 198 THR N N 15 114.298 0.3 . 1 . . . . . 550 THR N . 51293 1 794 . 1 . 1 199 199 TYR H H 1 8.571 0.020 . 1 . . . . . 551 TYR H . 51293 1 795 . 1 . 1 199 199 TYR C C 13 174.443 0.3 . 1 . . . . . 551 TYR C . 51293 1 796 . 1 . 1 199 199 TYR CA C 13 57.586 0.3 . 1 . . . . . 551 TYR CA . 51293 1 797 . 1 . 1 199 199 TYR CB C 13 40.800 0.3 . 1 . . . . . 551 TYR CB . 51293 1 798 . 1 . 1 199 199 TYR N N 15 123.983 0.3 . 1 . . . . . 551 TYR N . 51293 1 799 . 1 . 1 200 200 ALA H H 1 8.965 0.020 . 1 . . . . . 552 ALA H . 51293 1 800 . 1 . 1 200 200 ALA C C 13 177.006 0.3 . 1 . . . . . 552 ALA C . 51293 1 801 . 1 . 1 200 200 ALA CA C 13 52.509 0.3 . 1 . . . . . 552 ALA CA . 51293 1 802 . 1 . 1 200 200 ALA CB C 13 14.612 0.3 . 1 . . . . . 552 ALA CB . 51293 1 803 . 1 . 1 200 200 ALA N N 15 128.237 0.3 . 1 . . . . . 552 ALA N . 51293 1 804 . 1 . 1 201 201 GLY H H 1 8.560 0.020 . 1 . . . . . 553 GLY H . 51293 1 805 . 1 . 1 201 201 GLY C C 13 174.011 0.3 . 1 . . . . . 553 GLY C . 51293 1 806 . 1 . 1 201 201 GLY CA C 13 44.802 0.3 . 1 . . . . . 553 GLY CA . 51293 1 807 . 1 . 1 201 201 GLY N N 15 105.151 0.3 . 1 . . . . . 553 GLY N . 51293 1 808 . 1 . 1 202 202 LYS H H 1 7.973 0.020 . 1 . . . . . 554 LYS H . 51293 1 809 . 1 . 1 202 202 LYS C C 13 174.512 0.3 . 1 . . . . . 554 LYS C . 51293 1 810 . 1 . 1 202 202 LYS CA C 13 54.866 0.3 . 1 . . . . . 554 LYS CA . 51293 1 811 . 1 . 1 202 202 LYS CB C 13 33.725 0.3 . 1 . . . . . 554 LYS CB . 51293 1 812 . 1 . 1 202 202 LYS N N 15 124.065 0.3 . 1 . . . . . 554 LYS N . 51293 1 813 . 1 . 1 203 203 THR H H 1 7.483 0.020 . 1 . . . . . 555 THR H . 51293 1 814 . 1 . 1 203 203 THR C C 13 174.150 0.3 . 1 . . . . . 555 THR C . 51293 1 815 . 1 . 1 203 203 THR CA C 13 60.881 0.3 . 1 . . . . . 555 THR CA . 51293 1 816 . 1 . 1 203 203 THR CB C 13 71.571 0.3 . 1 . . . . . 555 THR CB . 51293 1 817 . 1 . 1 203 203 THR N N 15 112.624 0.3 . 1 . . . . . 555 THR N . 51293 1 818 . 1 . 1 205 205 THR H H 1 9.387 0.020 . 1 . . . . . 557 THR H . 51293 1 819 . 1 . 1 205 205 THR C C 13 173.175 0.3 . 1 . . . . . 557 THR C . 51293 1 820 . 1 . 1 205 205 THR CA C 13 59.793 0.3 . 1 . . . . . 557 THR CA . 51293 1 821 . 1 . 1 205 205 THR CB C 13 72.389 0.3 . 1 . . . . . 557 THR CB . 51293 1 822 . 1 . 1 205 205 THR N N 15 114.110 0.3 . 1 . . . . . 557 THR N . 51293 1 823 . 1 . 1 206 206 ALA H H 1 8.378 0.020 . 1 . . . . . 558 ALA H . 51293 1 824 . 1 . 1 206 206 ALA C C 13 176.226 0.3 . 1 . . . . . 558 ALA C . 51293 1 825 . 1 . 1 206 206 ALA CA C 13 50.998 0.3 . 1 . . . . . 558 ALA CA . 51293 1 826 . 1 . 1 206 206 ALA CB C 13 20.668 0.3 . 1 . . . . . 558 ALA CB . 51293 1 827 . 1 . 1 206 206 ALA N N 15 122.911 0.3 . 1 . . . . . 558 ALA N . 51293 1 828 . 1 . 1 207 207 THR H H 1 9.608 0.020 . 1 . . . . . 559 THR H . 51293 1 829 . 1 . 1 207 207 THR C C 13 175.697 0.3 . 1 . . . . . 559 THR C . 51293 1 830 . 1 . 1 207 207 THR CA C 13 60.065 0.3 . 1 . . . . . 559 THR CA . 51293 1 831 . 1 . 1 207 207 THR CB C 13 71.080 0.3 . 1 . . . . . 559 THR CB . 51293 1 832 . 1 . 1 207 207 THR N N 15 114.130 0.3 . 1 . . . . . 559 THR N . 51293 1 833 . 1 . 1 208 208 LEU H H 1 8.765 0.020 . 1 . . . . . 560 LEU H . 51293 1 834 . 1 . 1 208 208 LEU C C 13 178.692 0.3 . 1 . . . . . 560 LEU C . 51293 1 835 . 1 . 1 208 208 LEU CA C 13 58.463 0.3 . 1 . . . . . 560 LEU CA . 51293 1 836 . 1 . 1 208 208 LEU CB C 13 42.166 0.3 . 1 . . . . . 560 LEU CB . 51293 1 837 . 1 . 1 208 208 LEU N N 15 121.388 0.3 . 1 . . . . . 560 LEU N . 51293 1 838 . 1 . 1 209 209 SER H H 1 8.309 0.020 . 1 . . . . . 561 SER H . 51293 1 839 . 1 . 1 209 209 SER C C 13 173.857 0.3 . 1 . . . . . 561 SER C . 51293 1 840 . 1 . 1 209 209 SER CA C 13 60.941 0.3 . 1 . . . . . 561 SER CA . 51293 1 841 . 1 . 1 209 209 SER CB C 13 62.323 0.3 . 1 . . . . . 561 SER CB . 51293 1 842 . 1 . 1 209 209 SER N N 15 110.810 0.3 . 1 . . . . . 561 SER N . 51293 1 843 . 1 . 1 210 210 GLU H H 1 7.926 0.020 . 1 . . . . . 562 GLU H . 51293 1 844 . 1 . 1 210 210 GLU C C 13 178.399 0.3 . 1 . . . . . 562 GLU C . 51293 1 845 . 1 . 1 210 210 GLU CA C 13 58.795 0.3 . 1 . . . . . 562 GLU CA . 51293 1 846 . 1 . 1 210 210 GLU CB C 13 28.851 0.3 . 1 . . . . . 562 GLU CB . 51293 1 847 . 1 . 1 210 210 GLU N N 15 124.370 0.3 . 1 . . . . . 562 GLU N . 51293 1 848 . 1 . 1 211 211 LEU H H 1 7.572 0.020 . 1 . . . . . 563 LEU H . 51293 1 849 . 1 . 1 211 211 LEU C C 13 175.529 0.3 . 1 . . . . . 563 LEU C . 51293 1 850 . 1 . 1 211 211 LEU CA C 13 55.954 0.3 . 1 . . . . . 563 LEU CA . 51293 1 851 . 1 . 1 211 211 LEU CB C 13 41.127 0.3 . 1 . . . . . 563 LEU CB . 51293 1 852 . 1 . 1 211 211 LEU N N 15 116.591 0.3 . 1 . . . . . 563 LEU N . 51293 1 853 . 1 . 1 212 212 GLY H H 1 7.617 0.020 . 1 . . . . . 564 GLY H . 51293 1 854 . 1 . 1 212 212 GLY C C 13 174.484 0.3 . 1 . . . . . 564 GLY C . 51293 1 855 . 1 . 1 212 212 GLY CA C 13 45.255 0.3 . 1 . . . . . 564 GLY CA . 51293 1 856 . 1 . 1 212 212 GLY N N 15 105.879 0.3 . 1 . . . . . 564 GLY N . 51293 1 857 . 1 . 1 213 213 LEU H H 1 6.911 0.020 . 1 . . . . . 565 LEU H . 51293 1 858 . 1 . 1 213 213 LEU C C 13 175.028 0.3 . 1 . . . . . 565 LEU C . 51293 1 859 . 1 . 1 213 213 LEU CA C 13 52.962 0.3 . 1 . . . . . 565 LEU CA . 51293 1 860 . 1 . 1 213 213 LEU CB C 13 41.454 0.3 . 1 . . . . . 565 LEU CB . 51293 1 861 . 1 . 1 213 213 LEU N N 15 119.313 0.3 . 1 . . . . . 565 LEU N . 51293 1 862 . 1 . 1 214 214 SER H H 1 8.361 0.020 . 1 . . . . . 566 SER H . 51293 1 863 . 1 . 1 214 214 SER C C 13 175.153 0.3 . 1 . . . . . 566 SER C . 51293 1 864 . 1 . 1 214 214 SER CA C 13 54.080 0.3 . 1 . . . . . 566 SER CA . 51293 1 865 . 1 . 1 214 214 SER CB C 13 64.287 0.3 . 1 . . . . . 566 SER CB . 51293 1 866 . 1 . 1 214 214 SER N N 15 115.277 0.3 . 1 . . . . . 566 SER N . 51293 1 867 . 1 . 1 216 216 THR H H 1 7.655 0.020 . 1 . . . . . 568 THR H . 51293 1 868 . 1 . 1 216 216 THR C C 13 175.181 0.3 . 1 . . . . . 568 THR C . 51293 1 869 . 1 . 1 216 216 THR CA C 13 60.972 0.3 . 1 . . . . . 568 THR CA . 51293 1 870 . 1 . 1 216 216 THR CB C 13 69.607 0.3 . 1 . . . . . 568 THR CB . 51293 1 871 . 1 . 1 216 216 THR N N 15 105.701 0.3 . 1 . . . . . 568 THR N . 51293 1 872 . 1 . 1 217 217 ASP H H 1 7.294 0.020 . 1 . . . . . 569 ASP H . 51293 1 873 . 1 . 1 217 217 ASP C C 13 174.568 0.3 . 1 . . . . . 569 ASP C . 51293 1 874 . 1 . 1 217 217 ASP CA C 13 53.748 0.3 . 1 . . . . . 569 ASP CA . 51293 1 875 . 1 . 1 217 217 ASP CB C 13 41.700 0.3 . 1 . . . . . 569 ASP CB . 51293 1 876 . 1 . 1 217 217 ASP N N 15 122.418 0.3 . 1 . . . . . 569 ASP N . 51293 1 877 . 1 . 1 218 218 SER H H 1 8.271 0.020 . 1 . . . . . 570 SER H . 51293 1 878 . 1 . 1 218 218 SER C C 13 173.063 0.3 . 1 . . . . . 570 SER C . 51293 1 879 . 1 . 1 218 218 SER CA C 13 58.070 0.3 . 1 . . . . . 570 SER CA . 51293 1 880 . 1 . 1 218 218 SER CB C 13 64.451 0.3 . 1 . . . . . 570 SER CB . 51293 1 881 . 1 . 1 218 218 SER N N 15 115.407 0.3 . 1 . . . . . 570 SER N . 51293 1 882 . 1 . 1 219 219 TYR H H 1 9.088 0.020 . 1 . . . . . 571 TYR H . 51293 1 883 . 1 . 1 219 219 TYR C C 13 175.014 0.3 . 1 . . . . . 571 TYR C . 51293 1 884 . 1 . 1 219 219 TYR CA C 13 58.130 0.3 . 1 . . . . . 571 TYR CA . 51293 1 885 . 1 . 1 219 219 TYR CB C 13 42.273 0.3 . 1 . . . . . 571 TYR CB . 51293 1 886 . 1 . 1 219 219 TYR N N 15 120.227 0.3 . 1 . . . . . 571 TYR N . 51293 1 887 . 1 . 1 220 220 ASN H H 1 9.090 0.020 . 1 . . . . . 572 ASN H . 51293 1 888 . 1 . 1 220 220 ASN C C 13 174.289 0.3 . 1 . . . . . 572 ASN C . 51293 1 889 . 1 . 1 220 220 ASN CA C 13 51.572 0.3 . 1 . . . . . 572 ASN CA . 51293 1 890 . 1 . 1 220 220 ASN CB C 13 40.309 0.3 . 1 . . . . . 572 ASN CB . 51293 1 891 . 1 . 1 220 220 ASN N N 15 116.585 0.3 . 1 . . . . . 572 ASN N . 51293 1 892 . 1 . 1 221 221 PHE H H 1 10.163 0.020 . 1 . . . . . 573 PHE H . 51293 1 893 . 1 . 1 221 221 PHE C C 13 173.370 0.3 . 1 . . . . . 573 PHE C . 51293 1 894 . 1 . 1 221 221 PHE CA C 13 55.199 0.3 . 1 . . . . . 573 PHE CA . 51293 1 895 . 1 . 1 221 221 PHE CB C 13 40.800 0.3 . 1 . . . . . 573 PHE CB . 51293 1 896 . 1 . 1 221 221 PHE N N 15 123.914 0.3 . 1 . . . . . 573 PHE N . 51293 1 897 . 1 . 1 222 222 LEU H H 1 8.711 0.020 . 1 . . . . . 574 LEU H . 51293 1 898 . 1 . 1 222 222 LEU C C 13 174.080 0.3 . 1 . . . . . 574 LEU C . 51293 1 899 . 1 . 1 222 222 LEU CA C 13 53.778 0.3 . 1 . . . . . 574 LEU CA . 51293 1 900 . 1 . 1 222 222 LEU CB C 13 44.564 0.3 . 1 . . . . . 574 LEU CB . 51293 1 901 . 1 . 1 222 222 LEU N N 15 127.252 0.3 . 1 . . . . . 574 LEU N . 51293 1 902 . 1 . 1 223 223 VAL H H 1 8.429 0.020 . 1 . . . . . 575 VAL H . 51293 1 903 . 1 . 1 223 223 VAL C C 13 177.828 0.3 . 1 . . . . . 575 VAL C . 51293 1 904 . 1 . 1 223 223 VAL CA C 13 62.090 0.3 . 1 . . . . . 575 VAL CA . 51293 1 905 . 1 . 1 223 223 VAL CB C 13 30.406 0.3 . 1 . . . . . 575 VAL CB . 51293 1 906 . 1 . 1 223 223 VAL N N 15 120.178 0.3 . 1 . . . . . 575 VAL N . 51293 1 907 . 1 . 1 224 224 THR H H 1 8.093 0.020 . 1 . . . . . 576 THR H . 51293 1 908 . 1 . 1 224 224 THR C C 13 172.172 0.3 . 1 . . . . . 576 THR C . 51293 1 909 . 1 . 1 224 224 THR CA C 13 59.672 0.3 . 1 . . . . . 576 THR CA . 51293 1 910 . 1 . 1 224 224 THR CB C 13 72.798 0.3 . 1 . . . . . 576 THR CB . 51293 1 911 . 1 . 1 224 224 THR N N 15 121.666 0.3 . 1 . . . . . 576 THR N . 51293 1 912 . 1 . 1 225 225 SER H H 1 8.223 0.020 . 1 . . . . . 577 SER H . 51293 1 913 . 1 . 1 225 225 SER CA C 13 56.982 0.3 . 1 . . . . . 577 SER CA . 51293 1 914 . 1 . 1 225 225 SER CB C 13 64.287 0.3 . 1 . . . . . 577 SER CB . 51293 1 915 . 1 . 1 225 225 SER N N 15 112.709 0.3 . 1 . . . . . 577 SER N . 51293 1 916 . 1 . 1 226 226 SER H H 1 6.968 0.020 . 1 . . . . . 578 SER H . 51293 1 917 . 1 . 1 226 226 SER CA C 13 57.556 0.3 . 1 . . . . . 578 SER CA . 51293 1 918 . 1 . 1 226 226 SER N N 15 112.275 0.3 . 1 . . . . . 578 SER N . 51293 1 919 . 1 . 1 234 234 GLY H H 1 8.419 0.020 . 1 . . . . . 586 GLY H . 51293 1 920 . 1 . 1 234 234 GLY C C 13 173.983 0.3 . 1 . . . . . 586 GLY C . 51293 1 921 . 1 . 1 234 234 GLY CA C 13 45.104 0.3 . 1 . . . . . 586 GLY CA . 51293 1 922 . 1 . 1 234 234 GLY N N 15 110.660 0.3 . 1 . . . . . 586 GLY N . 51293 1 923 . 1 . 1 235 235 THR H H 1 7.771 0.020 . 1 . . . . . 587 THR H . 51293 1 924 . 1 . 1 235 235 THR C C 13 173.788 0.3 . 1 . . . . . 587 THR C . 51293 1 925 . 1 . 1 235 235 THR CA C 13 61.062 0.3 . 1 . . . . . 587 THR CA . 51293 1 926 . 1 . 1 235 235 THR CB C 13 69.443 0.3 . 1 . . . . . 587 THR CB . 51293 1 927 . 1 . 1 235 235 THR N N 15 113.969 0.3 . 1 . . . . . 587 THR N . 51293 1 928 . 1 . 1 236 236 TYR H H 1 7.786 0.020 . 1 . . . . . 588 TYR H . 51293 1 929 . 1 . 1 236 236 TYR C C 13 174.108 0.3 . 1 . . . . . 588 TYR C . 51293 1 930 . 1 . 1 236 236 TYR CA C 13 56.468 0.3 . 1 . . . . . 588 TYR CA . 51293 1 931 . 1 . 1 236 236 TYR CB C 13 38.754 0.3 . 1 . . . . . 588 TYR CB . 51293 1 932 . 1 . 1 236 236 TYR N N 15 122.080 0.3 . 1 . . . . . 588 TYR N . 51293 1 933 . 1 . 1 237 237 ALA H H 1 8.138 0.020 . 1 . . . . . 589 ALA H . 51293 1 934 . 1 . 1 237 237 ALA C C 13 176.574 0.3 . 1 . . . . . 589 ALA C . 51293 1 935 . 1 . 1 237 237 ALA CA C 13 50.907 0.3 . 1 . . . . . 589 ALA CA . 51293 1 936 . 1 . 1 237 237 ALA CB C 13 19.767 0.3 . 1 . . . . . 589 ALA CB . 51293 1 937 . 1 . 1 237 237 ALA N N 15 124.029 0.3 . 1 . . . . . 589 ALA N . 51293 1 938 . 1 . 1 238 238 SER H H 1 7.975 0.020 . 1 . . . . . 590 SER H . 51293 1 939 . 1 . 1 238 238 SER CA C 13 59.128 0.3 . 1 . . . . . 590 SER CA . 51293 1 940 . 1 . 1 238 238 SER CB C 13 63.633 0.3 . 1 . . . . . 590 SER CB . 51293 1 941 . 1 . 1 238 238 SER N N 15 116.725 0.3 . 1 . . . . . 590 SER N . 51293 1 942 . 1 . 1 240 240 VAL H H 1 7.569 0.020 . 1 . . . . . 592 VAL H . 51293 1 943 . 1 . 1 240 240 VAL CA C 13 63.027 0.3 . 1 . . . . . 592 VAL CA . 51293 1 944 . 1 . 1 240 240 VAL CB C 13 31.552 0.3 . 1 . . . . . 592 VAL CB . 51293 1 945 . 1 . 1 240 240 VAL N N 15 119.973 0.3 . 1 . . . . . 592 VAL N . 51293 1 946 . 1 . 1 241 241 MET H H 1 7.339 0.020 . 1 . . . . . 593 MET H . 51293 1 947 . 1 . 1 241 241 MET C C 13 175.585 0.3 . 1 . . . . . 593 MET C . 51293 1 948 . 1 . 1 241 241 MET CA C 13 53.264 0.3 . 1 . . . . . 593 MET CA . 51293 1 949 . 1 . 1 241 241 MET CB C 13 34.334 0.3 . 1 . . . . . 593 MET CB . 51293 1 950 . 1 . 1 241 241 MET N N 15 129.335 0.3 . 1 . . . . . 593 MET N . 51293 1 951 . 1 . 1 242 242 ARG H H 1 8.098 0.020 . 1 . . . . . 594 ARG H . 51293 1 952 . 1 . 1 242 242 ARG C C 13 173.314 0.3 . 1 . . . . . 594 ARG C . 51293 1 953 . 1 . 1 242 242 ARG CA C 13 54.670 0.3 . 1 . . . . . 594 ARG CA . 51293 1 954 . 1 . 1 242 242 ARG CB C 13 34.919 0.3 . 1 . . . . . 594 ARG CB . 51293 1 955 . 1 . 1 242 242 ARG N N 15 122.308 0.3 . 1 . . . . . 594 ARG N . 51293 1 956 . 1 . 1 243 243 ALA H H 1 9.778 0.020 . 1 . . . . . 595 ALA H . 51293 1 957 . 1 . 1 243 243 ALA C C 13 176.491 0.3 . 1 . . . . . 595 ALA C . 51293 1 958 . 1 . 1 243 243 ALA CA C 13 49.577 0.3 . 1 . . . . . 595 ALA CA . 51293 1 959 . 1 . 1 243 243 ALA CB C 13 22.141 0.3 . 1 . . . . . 595 ALA CB . 51293 1 960 . 1 . 1 243 243 ALA N N 15 121.807 0.3 . 1 . . . . . 595 ALA N . 51293 1 961 . 1 . 1 244 244 ASP H H 1 8.830 0.020 . 1 . . . . . 596 ASP H . 51293 1 962 . 1 . 1 244 244 ASP C C 13 174.303 0.3 . 1 . . . . . 596 ASP C . 51293 1 963 . 1 . 1 244 244 ASP CA C 13 51.209 0.3 . 1 . . . . . 596 ASP CA . 51293 1 964 . 1 . 1 244 244 ASP CB C 13 38.772 0.3 . 1 . . . . . 596 ASP CB . 51293 1 965 . 1 . 1 244 244 ASP N N 15 122.349 0.3 . 1 . . . . . 596 ASP N . 51293 1 966 . 1 . 1 245 245 LEU H H 1 7.624 0.020 . 1 . . . . . 597 LEU H . 51293 1 967 . 1 . 1 245 245 LEU C C 13 178.455 0.3 . 1 . . . . . 597 LEU C . 51293 1 968 . 1 . 1 245 245 LEU CA C 13 56.438 0.3 . 1 . . . . . 597 LEU CA . 51293 1 969 . 1 . 1 245 245 LEU CB C 13 42.191 0.3 . 1 . . . . . 597 LEU CB . 51293 1 970 . 1 . 1 245 245 LEU N N 15 127.446 0.3 . 1 . . . . . 597 LEU N . 51293 1 971 . 1 . 1 246 246 ASP H H 1 8.754 0.020 . 1 . . . . . 598 ASP H . 51293 1 972 . 1 . 1 246 246 ASP C C 13 177.118 0.3 . 1 . . . . . 598 ASP C . 51293 1 973 . 1 . 1 246 246 ASP CA C 13 57.556 0.3 . 1 . . . . . 598 ASP CA . 51293 1 974 . 1 . 1 246 246 ASP CB C 13 39.030 0.3 . 1 . . . . . 598 ASP CB . 51293 1 975 . 1 . 1 246 246 ASP N N 15 122.100 0.3 . 1 . . . . . 598 ASP N . 51293 1 976 . 1 . 1 247 247 GLY H H 1 7.528 0.020 . 1 . . . . . 599 GLY H . 51293 1 977 . 1 . 1 247 247 GLY C C 13 173.927 0.3 . 1 . . . . . 599 GLY C . 51293 1 978 . 1 . 1 247 247 GLY CA C 13 44.137 0.3 . 1 . . . . . 599 GLY CA . 51293 1 979 . 1 . 1 247 247 GLY N N 15 103.143 0.3 . 1 . . . . . 599 GLY N . 51293 1 980 . 1 . 1 248 248 ALA H H 1 7.177 0.020 . 1 . . . . . 600 ALA H . 51293 1 981 . 1 . 1 248 248 ALA C C 13 177.563 0.3 . 1 . . . . . 600 ALA C . 51293 1 982 . 1 . 1 248 248 ALA CA C 13 52.327 0.3 . 1 . . . . . 600 ALA CA . 51293 1 983 . 1 . 1 248 248 ALA CB C 13 17.803 0.3 . 1 . . . . . 600 ALA CB . 51293 1 984 . 1 . 1 248 248 ALA N N 15 125.319 0.3 . 1 . . . . . 600 ALA N . 51293 1 985 . 1 . 1 249 249 THR H H 1 8.379 0.020 . 1 . . . . . 601 THR H . 51293 1 986 . 1 . 1 249 249 THR C C 13 172.269 0.3 . 1 . . . . . 601 THR C . 51293 1 987 . 1 . 1 249 249 THR CA C 13 59.460 0.3 . 1 . . . . . 601 THR CA . 51293 1 988 . 1 . 1 249 249 THR CB C 13 71.325 0.3 . 1 . . . . . 601 THR CB . 51293 1 989 . 1 . 1 249 249 THR N N 15 110.482 0.3 . 1 . . . . . 601 THR N . 51293 1 990 . 1 . 1 250 250 LEU H H 1 8.132 0.020 . 1 . . . . . 602 LEU H . 51293 1 991 . 1 . 1 250 250 LEU C C 13 175.111 0.3 . 1 . . . . . 602 LEU C . 51293 1 992 . 1 . 1 250 250 LEU CA C 13 55.138 0.3 . 1 . . . . . 602 LEU CA . 51293 1 993 . 1 . 1 250 250 LEU CB C 13 44.237 0.3 . 1 . . . . . 602 LEU CB . 51293 1 994 . 1 . 1 250 250 LEU N N 15 127.288 0.3 . 1 . . . . . 602 LEU N . 51293 1 995 . 1 . 1 251 251 THR H H 1 9.351 0.020 . 1 . . . . . 603 THR H . 51293 1 996 . 1 . 1 251 251 THR C C 13 172.882 0.3 . 1 . . . . . 603 THR C . 51293 1 997 . 1 . 1 251 251 THR CA C 13 61.123 0.3 . 1 . . . . . 603 THR CA . 51293 1 998 . 1 . 1 251 251 THR CB C 13 69.852 0.3 . 1 . . . . . 603 THR CB . 51293 1 999 . 1 . 1 251 251 THR N N 15 125.407 0.3 . 1 . . . . . 603 THR N . 51293 1 1000 . 1 . 1 252 252 TYR H H 1 9.027 0.020 . 1 . . . . . 604 TYR H . 51293 1 1001 . 1 . 1 252 252 TYR C C 13 174.261 0.3 . 1 . . . . . 604 TYR C . 51293 1 1002 . 1 . 1 252 252 TYR CA C 13 55.682 0.3 . 1 . . . . . 604 TYR CA . 51293 1 1003 . 1 . 1 252 252 TYR CB C 13 40.636 0.3 . 1 . . . . . 604 TYR CB . 51293 1 1004 . 1 . 1 252 252 TYR N N 15 127.751 0.3 . 1 . . . . . 604 TYR N . 51293 1 1005 . 1 . 1 253 253 THR H H 1 8.028 0.020 . 1 . . . . . 605 THR H . 51293 1 1006 . 1 . 1 253 253 THR C C 13 174.025 0.3 . 1 . . . . . 605 THR C . 51293 1 1007 . 1 . 1 253 253 THR CA C 13 61.697 0.3 . 1 . . . . . 605 THR CA . 51293 1 1008 . 1 . 1 253 253 THR CB C 13 68.870 0.3 . 1 . . . . . 605 THR CB . 51293 1 1009 . 1 . 1 253 253 THR N N 15 116.686 0.3 . 1 . . . . . 605 THR N . 51293 1 stop_ save_