data_17399 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17399 _Entry.Title ; Structure of a novel CBM3 lacking the calcium-binding site ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-01-07 _Entry.Accession_date 2011-01-07 _Entry.Last_release_date 2011-12-20 _Entry.Original_release_date 2011-12-20 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Joice Paiva . H. . 17399 2 Andreia Meza . N. . 17399 3 Mauricio Sforca . L. . 17399 4 Rodrigo Navarro . Z. . 17399 5 Jorge Neves . L. . 17399 6 Camila Santos . R. . 17399 7 Mario Murakami . T. . 17399 8 Ana Zeri . C. . 17399 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17399 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Bacillus subtilis 168' . 17399 'carbohydrate-binding module' . 17399 'cellulase 5A' . 17399 'family 3' . 17399 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17399 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 583 17399 '15N chemical shifts' 147 17399 '1H chemical shifts' 917 17399 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 . . 2011-12-20 2011-01-07 original author . 17399 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2L8A 'BMRB Entry Tracking System' 17399 PDB 3PZT 'Structure of the catalytic domain of cellulase 5A from Bacillus subtilis 168 in complex with maganese(II) ion' 17399 PDB 3PZU 'P212121 crystal form of the catalytic domain of cellulase 5A from Bacillus subtilis 168' 17399 PDB 3PZV 'C2 crystal form of the catalytic domain of cellulase 5A from Bacillus subtilis 168' 17399 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 17399 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21880019 _Citation.Full_citation . _Citation.Title 'Dissecting structure-function-stability relationships of a thermostable GH5-CBM3 cellulase from Bacillus subtilis 168' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. J.' _Citation.Journal_name_full . _Citation.Journal_volume 441 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 95 _Citation.Page_last 104 _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Camila Santos . R. . 17399 1 2 Joice Paiva . H. . 17399 1 3 Mauricio Sforca . L. . 17399 1 4 Jorge Neves . L. . 17399 1 5 Rodrigo Navarro . Z. . 17399 1 6 Junio Cota . . . 17399 1 7 Patricia Akao . K. . 17399 1 8 Zaira Hoffmam . B. . 17399 1 9 Andreia Meza . N. . 17399 1 10 Juliana Smetana . H. . 17399 1 11 Maria Nogueira . L. . 17399 1 12 Igor Polikarpov . . . 17399 1 13 Jose Neto . X. . 17399 1 14 Fabio Squina . M. . 17399 1 15 Richard Ward . J. . 17399 1 16 Roberto Ruller . . . 17399 1 17 Ana Zeri . C. . 17399 1 18 Mario Murakami . T. . 17399 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17399 _Assembly.ID 1 _Assembly.Name CBM3 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 CBM3 1 $entity A . yes native no no . . . 17399 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 17399 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MASISVQYRAGDGSMNSNQI RPQLQIKNNGNTTVDLKDVT ARYWYKAKNKGQNFDCDYAQ IGCGNVTHKFVTLHKPKQGA DTYLELGFKNGTLAPGASTG NIQLRLHNDDWSNYAQSGDY SFFKSNTFKTTKKITLYDQG KLIWGTEPN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 149 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16717.734 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2L8A . "Structure Of A Novel Cbm3 Lacking The Calcium-Binding Site" . . . . . 100.00 149 100.00 100.00 1.40e-105 . . . . 17399 1 2 no DBJ BAA00859 . "CMCase [Bacillus subtilis]" . . . . . 97.99 499 97.26 98.63 1.94e-96 . . . . 17399 1 3 no DBJ BAI85501 . "endo-1,4-beta-glucanase [Bacillus subtilis subsp. natto BEST195]" . . . . . 97.99 499 98.63 98.63 7.57e-98 . . . . 17399 1 4 no DBJ BAL46915 . "cellulase [Bacillus subtilis]" . . . . . 97.99 499 98.63 98.63 7.25e-98 . . . . 17399 1 5 no DBJ GAK81525 . "endo-1,4-beta-glucanase [Bacillus subtilis Miyagi-4]" . . . . . 97.99 499 98.63 98.63 7.57e-98 . . . . 17399 1 6 no EMBL CAA28392 . "unnamed protein product [Bacillus subtilis]" . . . . . 97.99 499 100.00 100.00 1.52e-99 . . . . 17399 1 7 no EMBL CAA47429 . "cellulase [Bacillus subtilis]" . . . . . 97.99 499 100.00 100.00 1.62e-99 . . . . 17399 1 8 no EMBL CAA82317 . "endo-1,4-beta-glucanase [Bacillus subtilis]" . . . . . 97.99 499 100.00 100.00 1.52e-99 . . . . 17399 1 9 no EMBL CAA97610 . "endo-1,4-beta glucanase [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 97.99 508 100.00 100.00 1.32e-99 . . . . 17399 1 10 no EMBL CAB13696 . "endo-1,4-beta-glucanase [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 97.99 499 100.00 100.00 1.52e-99 . . . . 17399 1 11 no GB AAC02536 . "endo-b-1,4-glucanase [Bacillus sp. 79-23]" . . . . . 97.99 499 98.63 98.63 7.57e-98 . . . . 17399 1 12 no GB AAK39540 . "alkali tolerable cellulase [Bacillus subtilis]" . . . . . 97.99 499 100.00 100.00 1.66e-99 . . . . 17399 1 13 no GB AAK94871 . "endo-1,4-beta-glucanase [Bacillus subtilis]" . . . . . 97.99 508 100.00 100.00 1.40e-99 . . . . 17399 1 14 no GB AAO63626 . "cellulase C [Bacillus subtilis]" . . . . . 97.99 499 99.32 99.32 1.30e-98 . . . . 17399 1 15 no GB AAV34758 . "cellulase [Bacillus sp. HY2-3]" . . . . . 97.99 499 99.32 100.00 4.34e-99 . . . . 17399 1 16 no PRF 2106121A . endo-beta-1,4-glucanase . . . . . 97.99 499 100.00 100.00 1.62e-99 . . . . 17399 1 17 no REF NP_389695 . "endoglucanase [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 97.99 499 100.00 100.00 1.52e-99 . . . . 17399 1 18 no REF WP_003231540 . "MULTISPECIES: endoglucanase [Bacillus]" . . . . . 97.99 499 100.00 100.00 1.52e-99 . . . . 17399 1 19 no REF WP_014479947 . "MULTISPECIES: endo-1,4-beta-glucanase [Bacillus]" . . . . . 97.99 499 98.63 98.63 7.57e-98 . . . . 17399 1 20 no REF WP_015251994 . "endoglucanase [Bacillus subtilis]" . . . . . 97.99 499 100.00 100.00 1.62e-99 . . . . 17399 1 21 no REF WP_015383776 . "cellulase C [Bacillus subtilis]" . . . . . 97.99 499 97.95 98.63 9.04e-97 . . . . 17399 1 22 no SP P10475 . "RecName: Full=Endoglucanase; AltName: Full=Carboxymethyl-cellulase; Short=CMCase; Short=Cellulase; AltName: Full=Endo-1,4-beta-" . . . . . 97.99 499 100.00 100.00 1.52e-99 . . . . 17399 1 23 no SP P23549 . "RecName: Full=Endoglucanase; AltName: Full=Carboxymethyl-cellulase; Short=CMCase; Short=Cellulase; AltName: Full=Endo-1,4-beta-" . . . . . 97.99 499 97.26 98.63 1.94e-96 . . . . 17399 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 1 351 MET . 17399 1 2 352 ALA . 17399 1 3 353 SER . 17399 1 4 354 ILE . 17399 1 5 355 SER . 17399 1 6 356 VAL . 17399 1 7 357 GLN . 17399 1 8 358 TYR . 17399 1 9 359 ARG . 17399 1 10 360 ALA . 17399 1 11 361 GLY . 17399 1 12 362 ASP . 17399 1 13 363 GLY . 17399 1 14 364 SER . 17399 1 15 365 MET . 17399 1 16 366 ASN . 17399 1 17 367 SER . 17399 1 18 368 ASN . 17399 1 19 369 GLN . 17399 1 20 370 ILE . 17399 1 21 371 ARG . 17399 1 22 372 PRO . 17399 1 23 373 GLN . 17399 1 24 374 LEU . 17399 1 25 375 GLN . 17399 1 26 376 ILE . 17399 1 27 377 LYS . 17399 1 28 378 ASN . 17399 1 29 379 ASN . 17399 1 30 380 GLY . 17399 1 31 381 ASN . 17399 1 32 382 THR . 17399 1 33 383 THR . 17399 1 34 384 VAL . 17399 1 35 385 ASP . 17399 1 36 386 LEU . 17399 1 37 387 LYS . 17399 1 38 388 ASP . 17399 1 39 389 VAL . 17399 1 40 390 THR . 17399 1 41 391 ALA . 17399 1 42 392 ARG . 17399 1 43 393 TYR . 17399 1 44 394 TRP . 17399 1 45 395 TYR . 17399 1 46 396 LYS . 17399 1 47 397 ALA . 17399 1 48 398 LYS . 17399 1 49 399 ASN . 17399 1 50 400 LYS . 17399 1 51 401 GLY . 17399 1 52 402 GLN . 17399 1 53 403 ASN . 17399 1 54 404 PHE . 17399 1 55 405 ASP . 17399 1 56 406 CYS . 17399 1 57 407 ASP . 17399 1 58 408 TYR . 17399 1 59 409 ALA . 17399 1 60 410 GLN . 17399 1 61 411 ILE . 17399 1 62 412 GLY . 17399 1 63 413 CYS . 17399 1 64 414 GLY . 17399 1 65 415 ASN . 17399 1 66 416 VAL . 17399 1 67 417 THR . 17399 1 68 418 HIS . 17399 1 69 419 LYS . 17399 1 70 420 PHE . 17399 1 71 421 VAL . 17399 1 72 422 THR . 17399 1 73 423 LEU . 17399 1 74 424 HIS . 17399 1 75 425 LYS . 17399 1 76 426 PRO . 17399 1 77 427 LYS . 17399 1 78 428 GLN . 17399 1 79 429 GLY . 17399 1 80 430 ALA . 17399 1 81 431 ASP . 17399 1 82 432 THR . 17399 1 83 433 TYR . 17399 1 84 434 LEU . 17399 1 85 435 GLU . 17399 1 86 436 LEU . 17399 1 87 437 GLY . 17399 1 88 438 PHE . 17399 1 89 439 LYS . 17399 1 90 440 ASN . 17399 1 91 441 GLY . 17399 1 92 442 THR . 17399 1 93 443 LEU . 17399 1 94 444 ALA . 17399 1 95 445 PRO . 17399 1 96 446 GLY . 17399 1 97 447 ALA . 17399 1 98 448 SER . 17399 1 99 449 THR . 17399 1 100 450 GLY . 17399 1 101 451 ASN . 17399 1 102 452 ILE . 17399 1 103 453 GLN . 17399 1 104 454 LEU . 17399 1 105 455 ARG . 17399 1 106 456 LEU . 17399 1 107 457 HIS . 17399 1 108 458 ASN . 17399 1 109 459 ASP . 17399 1 110 460 ASP . 17399 1 111 461 TRP . 17399 1 112 462 SER . 17399 1 113 463 ASN . 17399 1 114 464 TYR . 17399 1 115 465 ALA . 17399 1 116 466 GLN . 17399 1 117 467 SER . 17399 1 118 468 GLY . 17399 1 119 469 ASP . 17399 1 120 470 TYR . 17399 1 121 471 SER . 17399 1 122 472 PHE . 17399 1 123 473 PHE . 17399 1 124 474 LYS . 17399 1 125 475 SER . 17399 1 126 476 ASN . 17399 1 127 477 THR . 17399 1 128 478 PHE . 17399 1 129 479 LYS . 17399 1 130 480 THR . 17399 1 131 481 THR . 17399 1 132 482 LYS . 17399 1 133 483 LYS . 17399 1 134 484 ILE . 17399 1 135 485 THR . 17399 1 136 486 LEU . 17399 1 137 487 TYR . 17399 1 138 488 ASP . 17399 1 139 489 GLN . 17399 1 140 490 GLY . 17399 1 141 491 LYS . 17399 1 142 492 LEU . 17399 1 143 493 ILE . 17399 1 144 494 TRP . 17399 1 145 495 GLY . 17399 1 146 496 THR . 17399 1 147 497 GLU . 17399 1 148 498 PRO . 17399 1 149 499 ASN . 17399 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 17399 1 . ALA 2 2 17399 1 . SER 3 3 17399 1 . ILE 4 4 17399 1 . SER 5 5 17399 1 . VAL 6 6 17399 1 . GLN 7 7 17399 1 . TYR 8 8 17399 1 . ARG 9 9 17399 1 . ALA 10 10 17399 1 . GLY 11 11 17399 1 . ASP 12 12 17399 1 . GLY 13 13 17399 1 . SER 14 14 17399 1 . MET 15 15 17399 1 . ASN 16 16 17399 1 . SER 17 17 17399 1 . ASN 18 18 17399 1 . GLN 19 19 17399 1 . ILE 20 20 17399 1 . ARG 21 21 17399 1 . PRO 22 22 17399 1 . GLN 23 23 17399 1 . LEU 24 24 17399 1 . GLN 25 25 17399 1 . ILE 26 26 17399 1 . LYS 27 27 17399 1 . ASN 28 28 17399 1 . ASN 29 29 17399 1 . GLY 30 30 17399 1 . ASN 31 31 17399 1 . THR 32 32 17399 1 . THR 33 33 17399 1 . VAL 34 34 17399 1 . ASP 35 35 17399 1 . LEU 36 36 17399 1 . LYS 37 37 17399 1 . ASP 38 38 17399 1 . VAL 39 39 17399 1 . THR 40 40 17399 1 . ALA 41 41 17399 1 . ARG 42 42 17399 1 . TYR 43 43 17399 1 . TRP 44 44 17399 1 . TYR 45 45 17399 1 . LYS 46 46 17399 1 . ALA 47 47 17399 1 . LYS 48 48 17399 1 . ASN 49 49 17399 1 . LYS 50 50 17399 1 . GLY 51 51 17399 1 . GLN 52 52 17399 1 . ASN 53 53 17399 1 . PHE 54 54 17399 1 . ASP 55 55 17399 1 . CYS 56 56 17399 1 . ASP 57 57 17399 1 . TYR 58 58 17399 1 . ALA 59 59 17399 1 . GLN 60 60 17399 1 . ILE 61 61 17399 1 . GLY 62 62 17399 1 . CYS 63 63 17399 1 . GLY 64 64 17399 1 . ASN 65 65 17399 1 . VAL 66 66 17399 1 . THR 67 67 17399 1 . HIS 68 68 17399 1 . LYS 69 69 17399 1 . PHE 70 70 17399 1 . VAL 71 71 17399 1 . THR 72 72 17399 1 . LEU 73 73 17399 1 . HIS 74 74 17399 1 . LYS 75 75 17399 1 . PRO 76 76 17399 1 . LYS 77 77 17399 1 . GLN 78 78 17399 1 . GLY 79 79 17399 1 . ALA 80 80 17399 1 . ASP 81 81 17399 1 . THR 82 82 17399 1 . TYR 83 83 17399 1 . LEU 84 84 17399 1 . GLU 85 85 17399 1 . LEU 86 86 17399 1 . GLY 87 87 17399 1 . PHE 88 88 17399 1 . LYS 89 89 17399 1 . ASN 90 90 17399 1 . GLY 91 91 17399 1 . THR 92 92 17399 1 . LEU 93 93 17399 1 . ALA 94 94 17399 1 . PRO 95 95 17399 1 . GLY 96 96 17399 1 . ALA 97 97 17399 1 . SER 98 98 17399 1 . THR 99 99 17399 1 . GLY 100 100 17399 1 . ASN 101 101 17399 1 . ILE 102 102 17399 1 . GLN 103 103 17399 1 . LEU 104 104 17399 1 . ARG 105 105 17399 1 . LEU 106 106 17399 1 . HIS 107 107 17399 1 . ASN 108 108 17399 1 . ASP 109 109 17399 1 . ASP 110 110 17399 1 . TRP 111 111 17399 1 . SER 112 112 17399 1 . ASN 113 113 17399 1 . TYR 114 114 17399 1 . ALA 115 115 17399 1 . GLN 116 116 17399 1 . SER 117 117 17399 1 . GLY 118 118 17399 1 . ASP 119 119 17399 1 . TYR 120 120 17399 1 . SER 121 121 17399 1 . PHE 122 122 17399 1 . PHE 123 123 17399 1 . LYS 124 124 17399 1 . SER 125 125 17399 1 . ASN 126 126 17399 1 . THR 127 127 17399 1 . PHE 128 128 17399 1 . LYS 129 129 17399 1 . THR 130 130 17399 1 . THR 131 131 17399 1 . LYS 132 132 17399 1 . LYS 133 133 17399 1 . ILE 134 134 17399 1 . THR 135 135 17399 1 . LEU 136 136 17399 1 . TYR 137 137 17399 1 . ASP 138 138 17399 1 . GLN 139 139 17399 1 . GLY 140 140 17399 1 . LYS 141 141 17399 1 . LEU 142 142 17399 1 . ILE 143 143 17399 1 . TRP 144 144 17399 1 . GLY 145 145 17399 1 . THR 146 146 17399 1 . GLU 147 147 17399 1 . PRO 148 148 17399 1 . ASN 149 149 17399 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 17399 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 1423 organism . 'Bacillus subtilis' 'Bacillus subtilis' . . Bacteria . Bacillus subtilis . . . . . . . . . . . . . . . . . . . . . 17399 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 17399 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET28 . . . . . . 17399 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17399 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'phosphate buffer pH 7.2' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 cbm '[U-99% 15N]' . . 1 $entity . . 0.3 . . mM . . . . 17399 1 2 H2O 'relative abundance' . . . . . . 95 . . % . . . . 17399 1 3 D2O 'relative abundance' . . . . . . 5 . . % . . . . 17399 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17399 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'phosphate buffer' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 cbm '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 0.3 . . mM . . . . 17399 2 2 H2O 'relative abundance' . . . . . . 95 . . % . . . . 17399 2 3 D2O 'relative abundance' . . . . . . 5 . . % . . . . 17399 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 17399 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'phosphate buffer' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 cbm '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 0.3 . . mM . . . . 17399 3 2 D2O 'relative abundance' . . . . . . 5 . . % . . . . 17399 3 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 17399 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 70 . mM 17399 1 pH 7.2 . pH 17399 1 pressure 1 . atm 17399 1 temperature 293 . K 17399 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17399 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17399 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17399 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 17399 _Software.ID 2 _Software.Name NMRView _Software.Version 5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 17399 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17399 2 'chemical shift calculation' 17399 2 'peak picking' 17399 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17399 _Software.ID 3 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17399 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17399 3 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 17399 _Software.ID 4 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 17399 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17399 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17399 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'cryogenic probe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17399 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 'cryogenic probe' . . 17399 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 17399 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17399 1 2 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17399 1 3 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17399 1 4 '2D 1H-13C HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17399 1 5 '3D HCCH-TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17399 1 6 '3D 1H-13C NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17399 1 7 '3D 1H-15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17399 1 8 '3D 1H-15N TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17399 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 17399 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17399 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.251449530 . . . . . . . . . 17399 1 H 1 water protons . . . . ppm 4.82 internal direct 1.000000000 . . . . . . . . . 17399 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.101329118 . . . . . . . . . 17399 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17399 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17399 1 2 '3D HNCACB' . . . 17399 1 3 '3D CBCA(CO)NH' . . . 17399 1 5 '3D HCCH-TOCSY' . . . 17399 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.970 0.020 . 1 . . . A 351 MET HA . 17399 1 2 . 1 1 1 1 MET HB2 H 1 2.268 0.020 . 2 . . . A 351 MET HB2 . 17399 1 3 . 1 1 1 1 MET HB3 H 1 2.268 0.020 . 2 . . . A 351 MET HB3 . 17399 1 4 . 1 1 1 1 MET HG2 H 1 2.379 0.020 . 2 . . . A 351 MET HG2 . 17399 1 5 . 1 1 1 1 MET HG3 H 1 2.379 0.020 . 2 . . . A 351 MET HG3 . 17399 1 6 . 1 1 1 1 MET C C 13 175.390 0.600 . 1 . . . A 351 MET C . 17399 1 7 . 1 1 1 1 MET CA C 13 55.290 0.600 . 1 . . . A 351 MET CA . 17399 1 8 . 1 1 1 1 MET CB C 13 33.400 0.600 . 1 . . . A 351 MET CB . 17399 1 9 . 1 1 2 2 ALA H H 1 8.620 0.020 . 1 . . . A 352 ALA H . 17399 1 10 . 1 1 2 2 ALA HA H 1 4.298 0.020 . 1 . . . A 352 ALA HA . 17399 1 11 . 1 1 2 2 ALA HB1 H 1 1.363 0.020 . 1 . . . A 352 ALA HB3 . 17399 1 12 . 1 1 2 2 ALA HB2 H 1 1.363 0.020 . 1 . . . A 352 ALA HB3 . 17399 1 13 . 1 1 2 2 ALA HB3 H 1 1.363 0.020 . 1 . . . A 352 ALA HB3 . 17399 1 14 . 1 1 2 2 ALA C C 13 177.111 0.600 . 1 . . . A 352 ALA C . 17399 1 15 . 1 1 2 2 ALA CA C 13 52.430 0.600 . 1 . . . A 352 ALA CA . 17399 1 16 . 1 1 2 2 ALA CB C 13 19.610 0.600 . 1 . . . A 352 ALA CB . 17399 1 17 . 1 1 2 2 ALA N N 15 125.980 0.500 . 1 . . . A 352 ALA N . 17399 1 18 . 1 1 3 3 SER H H 1 8.620 0.020 . 1 . . . A 353 SER H . 17399 1 19 . 1 1 3 3 SER HA H 1 4.778 0.020 . 1 . . . A 353 SER HA . 17399 1 20 . 1 1 3 3 SER HB2 H 1 3.770 0.020 . 2 . . . A 353 SER HB2 . 17399 1 21 . 1 1 3 3 SER HB3 H 1 3.698 0.020 . 2 . . . A 353 SER HB3 . 17399 1 22 . 1 1 3 3 SER C C 13 173.156 0.600 . 1 . . . A 353 SER C . 17399 1 23 . 1 1 3 3 SER CA C 13 57.800 0.600 . 1 . . . A 353 SER CA . 17399 1 24 . 1 1 3 3 SER CB C 13 63.310 0.600 . 1 . . . A 353 SER CB . 17399 1 25 . 1 1 3 3 SER N N 15 116.840 0.500 . 1 . . . A 353 SER N . 17399 1 26 . 1 1 4 4 ILE H H 1 7.740 0.020 . 1 . . . A 354 ILE H . 17399 1 27 . 1 1 4 4 ILE HA H 1 5.330 0.020 . 1 . . . A 354 ILE HA . 17399 1 28 . 1 1 4 4 ILE HB H 1 1.516 0.020 . 1 . . . A 354 ILE HB . 17399 1 29 . 1 1 4 4 ILE HG12 H 1 1.344 0.020 . 1 . . . A 354 ILE HG12 . 17399 1 30 . 1 1 4 4 ILE HG13 H 1 1.344 0.020 . 1 . . . A 354 ILE HG13 . 17399 1 31 . 1 1 4 4 ILE HG21 H 1 0.885 0.020 . 1 . . . A 354 ILE HG21 . 17399 1 32 . 1 1 4 4 ILE HG22 H 1 0.885 0.020 . 1 . . . A 354 ILE HG21 . 17399 1 33 . 1 1 4 4 ILE HG23 H 1 0.885 0.020 . 1 . . . A 354 ILE HG21 . 17399 1 34 . 1 1 4 4 ILE HD11 H 1 0.674 0.020 . 1 . . . A 354 ILE HD11 . 17399 1 35 . 1 1 4 4 ILE HD12 H 1 0.674 0.020 . 1 . . . A 354 ILE HD11 . 17399 1 36 . 1 1 4 4 ILE HD13 H 1 0.674 0.020 . 1 . . . A 354 ILE HD11 . 17399 1 37 . 1 1 4 4 ILE C C 13 171.727 0.600 . 1 . . . A 354 ILE C . 17399 1 38 . 1 1 4 4 ILE CA C 13 58.500 0.600 . 1 . . . A 354 ILE CA . 17399 1 39 . 1 1 4 4 ILE CB C 13 41.000 0.600 . 1 . . . A 354 ILE CB . 17399 1 40 . 1 1 4 4 ILE CG1 C 13 25.550 0.600 . 1 . . . A 354 ILE CG1 . 17399 1 41 . 1 1 4 4 ILE CG2 C 13 18.565 0.600 . 1 . . . A 354 ILE CG2 . 17399 1 42 . 1 1 4 4 ILE CD1 C 13 14.654 0.600 . 1 . . . A 354 ILE CD1 . 17399 1 43 . 1 1 4 4 ILE N N 15 118.810 0.500 . 1 . . . A 354 ILE N . 17399 1 44 . 1 1 5 5 SER H H 1 8.350 0.020 . 1 . . . A 355 SER H . 17399 1 45 . 1 1 5 5 SER HA H 1 4.688 0.020 . 1 . . . A 355 SER HA . 17399 1 46 . 1 1 5 5 SER HB2 H 1 3.766 0.020 . 2 . . . A 355 SER HB2 . 17399 1 47 . 1 1 5 5 SER HB3 H 1 3.696 0.020 . 2 . . . A 355 SER HB3 . 17399 1 48 . 1 1 5 5 SER C C 13 171.361 0.600 . 1 . . . A 355 SER C . 17399 1 49 . 1 1 5 5 SER CA C 13 56.570 0.600 . 1 . . . A 355 SER CA . 17399 1 50 . 1 1 5 5 SER CB C 13 64.730 0.600 . 1 . . . A 355 SER CB . 17399 1 51 . 1 1 5 5 SER N N 15 114.200 0.500 . 1 . . . A 355 SER N . 17399 1 52 . 1 1 6 6 VAL H H 1 5.400 0.020 . 1 . . . A 356 VAL H . 17399 1 53 . 1 1 6 6 VAL HA H 1 5.910 0.020 . 1 . . . A 356 VAL HA . 17399 1 54 . 1 1 6 6 VAL HB H 1 2.810 0.020 . 1 . . . A 356 VAL HB . 17399 1 55 . 1 1 6 6 VAL HG11 H 1 1.121 0.020 . 2 . . . A 356 VAL HG11 . 17399 1 56 . 1 1 6 6 VAL HG12 H 1 1.121 0.020 . 2 . . . A 356 VAL HG11 . 17399 1 57 . 1 1 6 6 VAL HG13 H 1 1.121 0.020 . 2 . . . A 356 VAL HG11 . 17399 1 58 . 1 1 6 6 VAL HG21 H 1 0.990 0.020 . 2 . . . A 356 VAL HG21 . 17399 1 59 . 1 1 6 6 VAL HG22 H 1 0.990 0.020 . 2 . . . A 356 VAL HG21 . 17399 1 60 . 1 1 6 6 VAL HG23 H 1 0.990 0.020 . 2 . . . A 356 VAL HG21 . 17399 1 61 . 1 1 6 6 VAL C C 13 173.778 0.600 . 1 . . . A 356 VAL C . 17399 1 62 . 1 1 6 6 VAL CA C 13 59.500 0.600 . 1 . . . A 356 VAL CA . 17399 1 63 . 1 1 6 6 VAL CB C 13 35.270 0.600 . 1 . . . A 356 VAL CB . 17399 1 64 . 1 1 6 6 VAL CG1 C 13 23.420 0.600 . 1 . . . A 356 VAL CG1 . 17399 1 65 . 1 1 6 6 VAL CG2 C 13 21.720 0.600 . 1 . . . A 356 VAL CG2 . 17399 1 66 . 1 1 6 6 VAL N N 15 114.200 0.500 . 1 . . . A 356 VAL N . 17399 1 67 . 1 1 7 7 GLN H H 1 8.720 0.020 . 1 . . . A 357 GLN H . 17399 1 68 . 1 1 7 7 GLN HA H 1 5.167 0.020 . 1 . . . A 357 GLN HA . 17399 1 69 . 1 1 7 7 GLN HB2 H 1 1.860 0.020 . 2 . . . A 357 GLN HB2 . 17399 1 70 . 1 1 7 7 GLN HB3 H 1 1.717 0.020 . 2 . . . A 357 GLN HB3 . 17399 1 71 . 1 1 7 7 GLN HG2 H 1 2.169 0.020 . 2 . . . A 357 GLN HG2 . 17399 1 72 . 1 1 7 7 GLN HG3 H 1 2.169 0.020 . 2 . . . A 357 GLN HG3 . 17399 1 73 . 1 1 7 7 GLN C C 13 174.767 0.600 . 1 . . . A 357 GLN C . 17399 1 74 . 1 1 7 7 GLN CA C 13 54.280 0.600 . 1 . . . A 357 GLN CA . 17399 1 75 . 1 1 7 7 GLN CB C 13 32.900 0.600 . 1 . . . A 357 GLN CB . 17399 1 76 . 1 1 7 7 GLN CG C 13 34.505 0.600 . 1 . . . A 357 GLN CG . 17399 1 77 . 1 1 7 7 GLN N N 15 123.670 0.500 . 1 . . . A 357 GLN N . 17399 1 78 . 1 1 8 8 TYR H H 1 9.170 0.020 . 1 . . . A 358 TYR H . 17399 1 79 . 1 1 8 8 TYR HA H 1 6.143 0.020 . 1 . . . A 358 TYR HA . 17399 1 80 . 1 1 8 8 TYR HB2 H 1 3.400 0.020 . 2 . . . A 358 TYR HB2 . 17399 1 81 . 1 1 8 8 TYR HB3 H 1 2.612 0.020 . 2 . . . A 358 TYR HB3 . 17399 1 82 . 1 1 8 8 TYR HD1 H 1 6.915 0.020 . 3 . . . A 358 TYR HD1 . 17399 1 83 . 1 1 8 8 TYR HD2 H 1 6.915 0.020 . 3 . . . A 358 TYR HD2 . 17399 1 84 . 1 1 8 8 TYR HE1 H 1 6.854 0.020 . 3 . . . A 358 TYR HE1 . 17399 1 85 . 1 1 8 8 TYR HE2 H 1 6.854 0.020 . 3 . . . A 358 TYR HE2 . 17399 1 86 . 1 1 8 8 TYR C C 13 173.668 0.600 . 1 . . . A 358 TYR C . 17399 1 87 . 1 1 8 8 TYR CA C 13 56.500 0.600 . 1 . . . A 358 TYR CA . 17399 1 88 . 1 1 8 8 TYR CB C 13 45.570 0.600 . 1 . . . A 358 TYR CB . 17399 1 89 . 1 1 8 8 TYR CD1 C 13 131.437 0.600 . 3 . . . A 358 TYR CD1 . 17399 1 90 . 1 1 8 8 TYR CD2 C 13 131.437 0.600 . 3 . . . A 358 TYR CD2 . 17399 1 91 . 1 1 8 8 TYR CE1 C 13 117.855 0.600 . 3 . . . A 358 TYR CE1 . 17399 1 92 . 1 1 8 8 TYR CE2 C 13 117.855 0.600 . 3 . . . A 358 TYR CE2 . 17399 1 93 . 1 1 8 8 TYR N N 15 125.480 0.500 . 1 . . . A 358 TYR N . 17399 1 94 . 1 1 9 9 ARG H H 1 8.200 0.020 . 1 . . . A 359 ARG H . 17399 1 95 . 1 1 9 9 ARG HA H 1 4.610 0.020 . 1 . . . A 359 ARG HA . 17399 1 96 . 1 1 9 9 ARG HB2 H 1 1.965 0.020 . 2 . . . A 359 ARG HB2 . 17399 1 97 . 1 1 9 9 ARG HB3 H 1 1.965 0.020 . 2 . . . A 359 ARG HB3 . 17399 1 98 . 1 1 9 9 ARG HG2 H 1 1.589 0.020 . 2 . . . A 359 ARG HG2 . 17399 1 99 . 1 1 9 9 ARG HG3 H 1 1.589 0.020 . 2 . . . A 359 ARG HG3 . 17399 1 100 . 1 1 9 9 ARG HD2 H 1 3.500 0.020 . 2 . . . A 359 ARG HD2 . 17399 1 101 . 1 1 9 9 ARG HD3 H 1 3.500 0.020 . 2 . . . A 359 ARG HD3 . 17399 1 102 . 1 1 9 9 ARG HE H 1 7.200 0.020 . 1 . . . A 359 ARG HE . 17399 1 103 . 1 1 9 9 ARG HH21 H 1 6.175 0.020 . 1 . . . A 359 ARG HH21 . 17399 1 104 . 1 1 9 9 ARG C C 13 172.240 0.600 . 1 . . . A 359 ARG C . 17399 1 105 . 1 1 9 9 ARG CA C 13 55.300 0.600 . 1 . . . A 359 ARG CA . 17399 1 106 . 1 1 9 9 ARG CB C 13 32.950 0.600 . 1 . . . A 359 ARG CB . 17399 1 107 . 1 1 9 9 ARG CG C 13 28.826 0.600 . 1 . . . A 359 ARG CG . 17399 1 108 . 1 1 9 9 ARG CD C 13 42.270 0.600 . 1 . . . A 359 ARG CD . 17399 1 109 . 1 1 9 9 ARG N N 15 125.000 0.500 . 1 . . . A 359 ARG N . 17399 1 110 . 1 1 10 10 ALA H H 1 7.590 0.020 . 1 . . . A 360 ALA H . 17399 1 111 . 1 1 10 10 ALA HA H 1 4.342 0.020 . 1 . . . A 360 ALA HA . 17399 1 112 . 1 1 10 10 ALA HB1 H 1 1.355 0.020 . 1 . . . A 360 ALA HB3 . 17399 1 113 . 1 1 10 10 ALA HB2 H 1 1.355 0.020 . 1 . . . A 360 ALA HB3 . 17399 1 114 . 1 1 10 10 ALA HB3 H 1 1.355 0.020 . 1 . . . A 360 ALA HB3 . 17399 1 115 . 1 1 10 10 ALA C C 13 179.711 0.600 . 1 . . . A 360 ALA C . 17399 1 116 . 1 1 10 10 ALA CA C 13 51.980 0.600 . 1 . . . A 360 ALA CA . 17399 1 117 . 1 1 10 10 ALA CB C 13 20.110 0.600 . 1 . . . A 360 ALA CB . 17399 1 118 . 1 1 10 10 ALA N N 15 123.870 0.500 . 1 . . . A 360 ALA N . 17399 1 119 . 1 1 11 11 GLY H H 1 9.250 0.020 . 1 . . . A 361 GLY H . 17399 1 120 . 1 1 11 11 GLY HA2 H 1 3.976 0.020 . 2 . . . A 361 GLY HA2 . 17399 1 121 . 1 1 11 11 GLY HA3 H 1 3.976 0.020 . 2 . . . A 361 GLY HA3 . 17399 1 122 . 1 1 11 11 GLY C C 13 173.888 0.600 . 1 . . . A 361 GLY C . 17399 1 123 . 1 1 11 11 GLY CA C 13 45.370 0.600 . 1 . . . A 361 GLY CA . 17399 1 124 . 1 1 11 11 GLY N N 15 108.830 0.500 . 1 . . . A 361 GLY N . 17399 1 125 . 1 1 12 12 ASP H H 1 8.400 0.020 . 1 . . . A 362 ASP H . 17399 1 126 . 1 1 12 12 ASP HA H 1 4.775 0.020 . 1 . . . A 362 ASP HA . 17399 1 127 . 1 1 12 12 ASP HB2 H 1 2.831 0.020 . 2 . . . A 362 ASP HB2 . 17399 1 128 . 1 1 12 12 ASP HB3 H 1 2.831 0.020 . 2 . . . A 362 ASP HB3 . 17399 1 129 . 1 1 12 12 ASP CA C 13 55.190 0.600 . 1 . . . A 362 ASP CA . 17399 1 130 . 1 1 12 12 ASP CB C 13 42.370 0.600 . 1 . . . A 362 ASP CB . 17399 1 131 . 1 1 12 12 ASP N N 15 121.480 0.500 . 1 . . . A 362 ASP N . 17399 1 132 . 1 1 13 13 GLY H H 1 8.313 0.020 . 1 . . . A 363 GLY H . 17399 1 133 . 1 1 13 13 GLY HA2 H 1 3.596 0.020 . 2 . . . A 363 GLY HA2 . 17399 1 134 . 1 1 13 13 GLY HA3 H 1 3.964 0.020 . 2 . . . A 363 GLY HA3 . 17399 1 135 . 1 1 13 13 GLY CA C 13 44.105 0.600 . 1 . . . A 363 GLY CA . 17399 1 136 . 1 1 13 13 GLY N N 15 108.975 0.500 . 1 . . . A 363 GLY N . 17399 1 137 . 1 1 14 14 SER H H 1 8.355 0.020 . 1 . . . A 364 SER H . 17399 1 138 . 1 1 14 14 SER HA H 1 4.547 0.020 . 1 . . . A 364 SER HA . 17399 1 139 . 1 1 14 14 SER HB2 H 1 3.909 0.020 . 2 . . . A 364 SER HB2 . 17399 1 140 . 1 1 14 14 SER HB3 H 1 3.909 0.020 . 2 . . . A 364 SER HB3 . 17399 1 141 . 1 1 14 14 SER C C 13 172.272 0.600 . 1 . . . A 364 SER C . 17399 1 142 . 1 1 14 14 SER CA C 13 59.977 0.600 . 1 . . . A 364 SER CA . 17399 1 143 . 1 1 14 14 SER CB C 13 71.970 0.600 . 1 . . . A 364 SER CB . 17399 1 144 . 1 1 14 14 SER N N 15 114.820 0.500 . 1 . . . A 364 SER N . 17399 1 145 . 1 1 15 15 MET H H 1 7.760 0.020 . 1 . . . A 365 MET H . 17399 1 146 . 1 1 15 15 MET HA H 1 4.410 0.020 . 1 . . . A 365 MET HA . 17399 1 147 . 1 1 15 15 MET HB2 H 1 2.970 0.020 . 2 . . . A 365 MET HB2 . 17399 1 148 . 1 1 15 15 MET HB3 H 1 2.970 0.020 . 2 . . . A 365 MET HB3 . 17399 1 149 . 1 1 15 15 MET HG2 H 1 2.375 0.020 . 2 . . . A 365 MET HG2 . 17399 1 150 . 1 1 15 15 MET HG3 H 1 2.375 0.020 . 2 . . . A 365 MET HG3 . 17399 1 151 . 1 1 15 15 MET C C 13 173.329 0.600 . 1 . . . A 365 MET C . 17399 1 152 . 1 1 15 15 MET CA C 13 59.206 0.600 . 1 . . . A 365 MET CA . 17399 1 153 . 1 1 15 15 MET CB C 13 33.200 0.600 . 1 . . . A 365 MET CB . 17399 1 154 . 1 1 15 15 MET CG C 13 32.624 0.600 . 1 . . . A 365 MET CG . 17399 1 155 . 1 1 15 15 MET N N 15 115.200 0.500 . 1 . . . A 365 MET N . 17399 1 156 . 1 1 16 16 ASN H H 1 8.330 0.020 . 1 . . . A 366 ASN H . 17399 1 157 . 1 1 16 16 ASN HA H 1 4.953 0.020 . 1 . . . A 366 ASN HA . 17399 1 158 . 1 1 16 16 ASN HB2 H 1 3.436 0.020 . 2 . . . A 366 ASN HB2 . 17399 1 159 . 1 1 16 16 ASN HB3 H 1 3.436 0.020 . 2 . . . A 366 ASN HB3 . 17399 1 160 . 1 1 16 16 ASN C C 13 174.266 0.600 . 1 . . . A 366 ASN C . 17399 1 161 . 1 1 16 16 ASN CA C 13 52.282 0.600 . 1 . . . A 366 ASN CA . 17399 1 162 . 1 1 16 16 ASN CB C 13 38.251 0.600 . 1 . . . A 366 ASN CB . 17399 1 163 . 1 1 16 16 ASN N N 15 118.310 0.500 . 1 . . . A 366 ASN N . 17399 1 164 . 1 1 17 17 SER H H 1 7.614 0.020 . 1 . . . A 367 SER H . 17399 1 165 . 1 1 17 17 SER HA H 1 4.710 0.020 . 1 . . . A 367 SER HA . 17399 1 166 . 1 1 17 17 SER HB2 H 1 3.812 0.020 . 2 . . . A 367 SER HB2 . 17399 1 167 . 1 1 17 17 SER HB3 H 1 4.188 0.020 . 2 . . . A 367 SER HB3 . 17399 1 168 . 1 1 17 17 SER CA C 13 57.333 0.600 . 1 . . . A 367 SER CA . 17399 1 169 . 1 1 17 17 SER CB C 13 65.283 0.600 . 1 . . . A 367 SER CB . 17399 1 170 . 1 1 17 17 SER N N 15 114.160 0.500 . 1 . . . A 367 SER N . 17399 1 171 . 1 1 18 18 ASN H H 1 8.650 0.020 . 1 . . . A 368 ASN H . 17399 1 172 . 1 1 18 18 ASN HA H 1 4.953 0.020 . 1 . . . A 368 ASN HA . 17399 1 173 . 1 1 18 18 ASN HB2 H 1 2.980 0.020 . 2 . . . A 368 ASN HB2 . 17399 1 174 . 1 1 18 18 ASN HB3 H 1 3.413 0.020 . 2 . . . A 368 ASN HB3 . 17399 1 175 . 1 1 18 18 ASN C C 13 175.367 0.600 . 1 . . . A 368 ASN C . 17399 1 176 . 1 1 18 18 ASN CA C 13 52.749 0.600 . 1 . . . A 368 ASN CA . 17399 1 177 . 1 1 18 18 ASN CB C 13 37.857 0.600 . 1 . . . A 368 ASN CB . 17399 1 178 . 1 1 18 18 ASN N N 15 117.160 0.500 . 1 . . . A 368 ASN N . 17399 1 179 . 1 1 19 19 GLN H H 1 8.115 0.020 . 1 . . . A 369 GLN H . 17399 1 180 . 1 1 19 19 GLN HA H 1 5.847 0.020 . 1 . . . A 369 GLN HA . 17399 1 181 . 1 1 19 19 GLN HB2 H 1 1.946 0.020 . 2 . . . A 369 GLN HB2 . 17399 1 182 . 1 1 19 19 GLN HB3 H 1 1.946 0.020 . 2 . . . A 369 GLN HB3 . 17399 1 183 . 1 1 19 19 GLN HG2 H 1 2.752 0.020 . 2 . . . A 369 GLN HG2 . 17399 1 184 . 1 1 19 19 GLN HG3 H 1 2.387 0.020 . 2 . . . A 369 GLN HG3 . 17399 1 185 . 1 1 19 19 GLN C C 13 175.219 0.600 . 1 . . . A 369 GLN C . 17399 1 186 . 1 1 19 19 GLN CA C 13 55.330 0.600 . 1 . . . A 369 GLN CA . 17399 1 187 . 1 1 19 19 GLN CB C 13 34.700 0.600 . 1 . . . A 369 GLN CB . 17399 1 188 . 1 1 19 19 GLN CG C 13 35.848 0.600 . 1 . . . A 369 GLN CG . 17399 1 189 . 1 1 19 19 GLN N N 15 115.712 0.500 . 1 . . . A 369 GLN N . 17399 1 190 . 1 1 20 20 ILE H H 1 7.970 0.020 . 1 . . . A 370 ILE H . 17399 1 191 . 1 1 20 20 ILE HA H 1 4.819 0.020 . 1 . . . A 370 ILE HA . 17399 1 192 . 1 1 20 20 ILE HB H 1 2.193 0.020 . 1 . . . A 370 ILE HB . 17399 1 193 . 1 1 20 20 ILE HG12 H 1 1.700 0.020 . 1 . . . A 370 ILE HG12 . 17399 1 194 . 1 1 20 20 ILE HG13 H 1 1.292 0.020 . 1 . . . A 370 ILE HG13 . 17399 1 195 . 1 1 20 20 ILE HG21 H 1 0.825 0.020 . 1 . . . A 370 ILE HG21 . 17399 1 196 . 1 1 20 20 ILE HG22 H 1 0.825 0.020 . 1 . . . A 370 ILE HG21 . 17399 1 197 . 1 1 20 20 ILE HG23 H 1 0.825 0.020 . 1 . . . A 370 ILE HG21 . 17399 1 198 . 1 1 20 20 ILE HD11 H 1 0.620 0.020 . 1 . . . A 370 ILE HD11 . 17399 1 199 . 1 1 20 20 ILE HD12 H 1 0.620 0.020 . 1 . . . A 370 ILE HD11 . 17399 1 200 . 1 1 20 20 ILE HD13 H 1 0.620 0.020 . 1 . . . A 370 ILE HD11 . 17399 1 201 . 1 1 20 20 ILE C C 13 176.529 0.600 . 1 . . . A 370 ILE C . 17399 1 202 . 1 1 20 20 ILE CA C 13 61.480 0.600 . 1 . . . A 370 ILE CA . 17399 1 203 . 1 1 20 20 ILE CB C 13 38.770 0.600 . 1 . . . A 370 ILE CB . 17399 1 204 . 1 1 20 20 ILE CG1 C 13 28.570 0.600 . 1 . . . A 370 ILE CG1 . 17399 1 205 . 1 1 20 20 ILE CG2 C 13 16.580 0.600 . 1 . . . A 370 ILE CG2 . 17399 1 206 . 1 1 20 20 ILE CD1 C 13 15.730 0.600 . 1 . . . A 370 ILE CD1 . 17399 1 207 . 1 1 20 20 ILE N N 15 125.900 0.500 . 1 . . . A 370 ILE N . 17399 1 208 . 1 1 21 21 ARG H H 1 9.260 0.020 . 1 . . . A 371 ARG H . 17399 1 209 . 1 1 21 21 ARG HA H 1 5.403 0.020 . 1 . . . A 371 ARG HA . 17399 1 210 . 1 1 21 21 ARG HB2 H 1 1.999 0.020 . 2 . . . A 371 ARG HB2 . 17399 1 211 . 1 1 21 21 ARG HB3 H 1 1.999 0.020 . 2 . . . A 371 ARG HB3 . 17399 1 212 . 1 1 21 21 ARG HG2 H 1 1.486 0.020 . 2 . . . A 371 ARG HG2 . 17399 1 213 . 1 1 21 21 ARG HG3 H 1 1.429 0.020 . 2 . . . A 371 ARG HG3 . 17399 1 214 . 1 1 21 21 ARG HD2 H 1 3.139 0.020 . 2 . . . A 371 ARG HD2 . 17399 1 215 . 1 1 21 21 ARG HD3 H 1 3.139 0.020 . 2 . . . A 371 ARG HD3 . 17399 1 216 . 1 1 21 21 ARG HE H 1 7.680 0.020 . 1 . . . A 371 ARG HE . 17399 1 217 . 1 1 21 21 ARG CA C 13 52.840 0.600 . 1 . . . A 371 ARG CA . 17399 1 218 . 1 1 21 21 ARG CB C 13 32.640 0.600 . 1 . . . A 371 ARG CB . 17399 1 219 . 1 1 21 21 ARG CG C 13 27.878 0.600 . 1 . . . A 371 ARG CG . 17399 1 220 . 1 1 21 21 ARG CD C 13 43.907 0.600 . 1 . . . A 371 ARG CD . 17399 1 221 . 1 1 21 21 ARG N N 15 127.620 0.500 . 1 . . . A 371 ARG N . 17399 1 222 . 1 1 22 22 PRO HA H 1 4.720 0.020 . 1 . . . A 372 PRO HA . 17399 1 223 . 1 1 22 22 PRO HB2 H 1 2.390 0.020 . 2 . . . A 372 PRO HB2 . 17399 1 224 . 1 1 22 22 PRO HB3 H 1 2.250 0.020 . 2 . . . A 372 PRO HB3 . 17399 1 225 . 1 1 22 22 PRO HG2 H 1 2.290 0.020 . 2 . . . A 372 PRO HG2 . 17399 1 226 . 1 1 22 22 PRO HG3 H 1 1.915 0.020 . 2 . . . A 372 PRO HG3 . 17399 1 227 . 1 1 22 22 PRO HD2 H 1 3.664 0.020 . 2 . . . A 372 PRO HD2 . 17399 1 228 . 1 1 22 22 PRO HD3 H 1 3.824 0.020 . 2 . . . A 372 PRO HD3 . 17399 1 229 . 1 1 22 22 PRO C C 13 176.490 0.600 . 1 . . . A 372 PRO C . 17399 1 230 . 1 1 22 22 PRO CA C 13 63.112 0.600 . 1 . . . A 372 PRO CA . 17399 1 231 . 1 1 22 22 PRO CB C 13 31.423 0.600 . 1 . . . A 372 PRO CB . 17399 1 232 . 1 1 22 22 PRO CG C 13 27.430 0.600 . 1 . . . A 372 PRO CG . 17399 1 233 . 1 1 22 22 PRO CD C 13 51.710 0.600 . 1 . . . A 372 PRO CD . 17399 1 234 . 1 1 23 23 GLN H H 1 7.800 0.020 . 1 . . . A 373 GLN H . 17399 1 235 . 1 1 23 23 GLN HA H 1 5.611 0.020 . 1 . . . A 373 GLN HA . 17399 1 236 . 1 1 23 23 GLN HB2 H 1 1.985 0.020 . 2 . . . A 373 GLN HB2 . 17399 1 237 . 1 1 23 23 GLN HB3 H 1 1.985 0.020 . 2 . . . A 373 GLN HB3 . 17399 1 238 . 1 1 23 23 GLN HG2 H 1 2.535 0.020 . 2 . . . A 373 GLN HG2 . 17399 1 239 . 1 1 23 23 GLN HG3 H 1 2.216 0.020 . 2 . . . A 373 GLN HG3 . 17399 1 240 . 1 1 23 23 GLN C C 13 174.840 0.600 . 1 . . . A 373 GLN C . 17399 1 241 . 1 1 23 23 GLN CA C 13 54.500 0.600 . 1 . . . A 373 GLN CA . 17399 1 242 . 1 1 23 23 GLN CB C 13 29.650 0.600 . 1 . . . A 373 GLN CB . 17399 1 243 . 1 1 23 23 GLN CG C 13 33.788 0.600 . 1 . . . A 373 GLN CG . 17399 1 244 . 1 1 23 23 GLN N N 15 120.850 0.500 . 1 . . . A 373 GLN N . 17399 1 245 . 1 1 24 24 LEU H H 1 9.360 0.020 . 1 . . . A 374 LEU H . 17399 1 246 . 1 1 24 24 LEU HA H 1 6.420 0.020 . 1 . . . A 374 LEU HA . 17399 1 247 . 1 1 24 24 LEU HB2 H 1 1.812 0.020 . 2 . . . A 374 LEU HB2 . 17399 1 248 . 1 1 24 24 LEU HB3 H 1 1.812 0.020 . 2 . . . A 374 LEU HB3 . 17399 1 249 . 1 1 24 24 LEU HG H 1 1.719 0.020 . 1 . . . A 374 LEU HG . 17399 1 250 . 1 1 24 24 LEU HD11 H 1 0.848 0.020 . 2 . . . A 374 LEU HD11 . 17399 1 251 . 1 1 24 24 LEU HD12 H 1 0.848 0.020 . 2 . . . A 374 LEU HD11 . 17399 1 252 . 1 1 24 24 LEU HD13 H 1 0.848 0.020 . 2 . . . A 374 LEU HD11 . 17399 1 253 . 1 1 24 24 LEU HD21 H 1 0.976 0.020 . 2 . . . A 374 LEU HD21 . 17399 1 254 . 1 1 24 24 LEU HD22 H 1 0.976 0.020 . 2 . . . A 374 LEU HD21 . 17399 1 255 . 1 1 24 24 LEU HD23 H 1 0.976 0.020 . 2 . . . A 374 LEU HD21 . 17399 1 256 . 1 1 24 24 LEU C C 13 175.353 0.600 . 1 . . . A 374 LEU C . 17399 1 257 . 1 1 24 24 LEU CA C 13 54.270 0.600 . 1 . . . A 374 LEU CA . 17399 1 258 . 1 1 24 24 LEU CB C 13 47.900 0.600 . 1 . . . A 374 LEU CB . 17399 1 259 . 1 1 24 24 LEU CG C 13 26.624 0.600 . 1 . . . A 374 LEU CG . 17399 1 260 . 1 1 24 24 LEU N N 15 120.650 0.500 . 1 . . . A 374 LEU N . 17399 1 261 . 1 1 25 25 GLN H H 1 8.840 0.020 . 1 . . . A 375 GLN H . 17399 1 262 . 1 1 25 25 GLN HA H 1 4.610 0.020 . 1 . . . A 375 GLN HA . 17399 1 263 . 1 1 25 25 GLN HB2 H 1 1.576 0.020 . 2 . . . A 375 GLN HB2 . 17399 1 264 . 1 1 25 25 GLN HB3 H 1 1.576 0.020 . 2 . . . A 375 GLN HB3 . 17399 1 265 . 1 1 25 25 GLN HG2 H 1 1.771 0.020 . 2 . . . A 375 GLN HG2 . 17399 1 266 . 1 1 25 25 GLN HG3 H 1 1.771 0.020 . 2 . . . A 375 GLN HG3 . 17399 1 267 . 1 1 25 25 GLN C C 13 174.401 0.600 . 1 . . . A 375 GLN C . 17399 1 268 . 1 1 25 25 GLN CA C 13 55.700 0.600 . 1 . . . A 375 GLN CA . 17399 1 269 . 1 1 25 25 GLN CB C 13 32.700 0.600 . 1 . . . A 375 GLN CB . 17399 1 270 . 1 1 25 25 GLN N N 15 114.820 0.500 . 1 . . . A 375 GLN N . 17399 1 271 . 1 1 26 26 ILE H H 1 8.220 0.020 . 1 . . . A 376 ILE H . 17399 1 272 . 1 1 26 26 ILE HA H 1 4.839 0.020 . 1 . . . A 376 ILE HA . 17399 1 273 . 1 1 26 26 ILE HB H 1 1.564 0.020 . 1 . . . A 376 ILE HB . 17399 1 274 . 1 1 26 26 ILE HG21 H 1 0.990 0.020 . 1 . . . A 376 ILE HG21 . 17399 1 275 . 1 1 26 26 ILE HG22 H 1 0.990 0.020 . 1 . . . A 376 ILE HG21 . 17399 1 276 . 1 1 26 26 ILE HG23 H 1 0.990 0.020 . 1 . . . A 376 ILE HG21 . 17399 1 277 . 1 1 26 26 ILE HD11 H 1 0.620 0.020 . 1 . . . A 376 ILE HD11 . 17399 1 278 . 1 1 26 26 ILE HD12 H 1 0.620 0.020 . 1 . . . A 376 ILE HD11 . 17399 1 279 . 1 1 26 26 ILE HD13 H 1 0.620 0.020 . 1 . . . A 376 ILE HD11 . 17399 1 280 . 1 1 26 26 ILE C C 13 173.412 0.600 . 1 . . . A 376 ILE C . 17399 1 281 . 1 1 26 26 ILE CA C 13 60.200 0.600 . 1 . . . A 376 ILE CA . 17399 1 282 . 1 1 26 26 ILE CB C 13 40.170 0.600 . 1 . . . A 376 ILE CB . 17399 1 283 . 1 1 26 26 ILE CG1 C 13 28.147 0.600 . 1 . . . A 376 ILE CG1 . 17399 1 284 . 1 1 26 26 ILE CD1 C 13 16.953 0.600 . 1 . . . A 376 ILE CD1 . 17399 1 285 . 1 1 26 26 ILE N N 15 122.340 0.500 . 1 . . . A 376 ILE N . 17399 1 286 . 1 1 27 27 LYS H H 1 8.380 0.020 . 1 . . . A 377 LYS H . 17399 1 287 . 1 1 27 27 LYS HA H 1 4.848 0.020 . 1 . . . A 377 LYS HA . 17399 1 288 . 1 1 27 27 LYS HB2 H 1 2.190 0.020 . 2 . . . A 377 LYS HB2 . 17399 1 289 . 1 1 27 27 LYS HB3 H 1 1.936 0.020 . 2 . . . A 377 LYS HB3 . 17399 1 290 . 1 1 27 27 LYS HG2 H 1 1.481 0.020 . 2 . . . A 377 LYS HG2 . 17399 1 291 . 1 1 27 27 LYS HG3 H 1 1.372 0.020 . 2 . . . A 377 LYS HG3 . 17399 1 292 . 1 1 27 27 LYS HD2 H 1 1.726 0.020 . 2 . . . A 377 LYS HD2 . 17399 1 293 . 1 1 27 27 LYS HE2 H 1 2.979 0.020 . 2 . . . A 377 LYS HE2 . 17399 1 294 . 1 1 27 27 LYS C C 13 173.888 0.600 . 1 . . . A 377 LYS C . 17399 1 295 . 1 1 27 27 LYS CA C 13 54.360 0.600 . 1 . . . A 377 LYS CA . 17399 1 296 . 1 1 27 27 LYS CB C 13 36.220 0.600 . 1 . . . A 377 LYS CB . 17399 1 297 . 1 1 27 27 LYS CG C 13 25.120 0.600 . 1 . . . A 377 LYS CG . 17399 1 298 . 1 1 27 27 LYS CD C 13 29.132 0.600 . 1 . . . A 377 LYS CD . 17399 1 299 . 1 1 27 27 LYS CE C 13 42.270 0.600 . 1 . . . A 377 LYS CE . 17399 1 300 . 1 1 27 27 LYS N N 15 126.830 0.500 . 1 . . . A 377 LYS N . 17399 1 301 . 1 1 28 28 ASN H H 1 8.530 0.020 . 1 . . . A 378 ASN H . 17399 1 302 . 1 1 28 28 ASN HA H 1 4.913 0.020 . 1 . . . A 378 ASN HA . 17399 1 303 . 1 1 28 28 ASN HB2 H 1 3.402 0.020 . 2 . . . A 378 ASN HB2 . 17399 1 304 . 1 1 28 28 ASN HB3 H 1 2.170 0.020 . 2 . . . A 378 ASN HB3 . 17399 1 305 . 1 1 28 28 ASN C C 13 174.840 0.600 . 1 . . . A 378 ASN C . 17399 1 306 . 1 1 28 28 ASN CA C 13 51.550 0.600 . 1 . . . A 378 ASN CA . 17399 1 307 . 1 1 28 28 ASN CB C 13 38.380 0.600 . 1 . . . A 378 ASN CB . 17399 1 308 . 1 1 28 28 ASN N N 15 119.990 0.500 . 1 . . . A 378 ASN N . 17399 1 309 . 1 1 29 29 ASN H H 1 8.670 0.020 . 1 . . . A 379 ASN H . 17399 1 310 . 1 1 29 29 ASN HA H 1 4.876 0.020 . 1 . . . A 379 ASN HA . 17399 1 311 . 1 1 29 29 ASN HB2 H 1 2.421 0.020 . 2 . . . A 379 ASN HB2 . 17399 1 312 . 1 1 29 29 ASN HB3 H 1 2.809 0.020 . 2 . . . A 379 ASN HB3 . 17399 1 313 . 1 1 29 29 ASN C C 13 175.500 0.600 . 1 . . . A 379 ASN C . 17399 1 314 . 1 1 29 29 ASN CA C 13 53.370 0.600 . 1 . . . A 379 ASN CA . 17399 1 315 . 1 1 29 29 ASN CB C 13 39.860 0.600 . 1 . . . A 379 ASN CB . 17399 1 316 . 1 1 29 29 ASN N N 15 123.170 0.500 . 1 . . . A 379 ASN N . 17399 1 317 . 1 1 30 30 GLY H H 1 8.310 0.020 . 1 . . . A 380 GLY H . 17399 1 318 . 1 1 30 30 GLY HA2 H 1 4.545 0.020 . 2 . . . A 380 GLY HA2 . 17399 1 319 . 1 1 30 30 GLY HA3 H 1 4.108 0.020 . 2 . . . A 380 GLY HA3 . 17399 1 320 . 1 1 30 30 GLY C C 13 173.900 0.600 . 1 . . . A 380 GLY C . 17399 1 321 . 1 1 30 30 GLY CA C 13 44.400 0.600 . 1 . . . A 380 GLY CA . 17399 1 322 . 1 1 30 30 GLY N N 15 108.980 0.500 . 1 . . . A 380 GLY N . 17399 1 323 . 1 1 31 31 ASN H H 1 8.450 0.020 . 1 . . . A 381 ASN H . 17399 1 324 . 1 1 31 31 ASN HA H 1 4.960 0.020 . 1 . . . A 381 ASN HA . 17399 1 325 . 1 1 31 31 ASN HB2 H 1 2.752 0.020 . 2 . . . A 381 ASN HB2 . 17399 1 326 . 1 1 31 31 ASN HB3 H 1 3.710 0.020 . 2 . . . A 381 ASN HB3 . 17399 1 327 . 1 1 31 31 ASN C C 13 175.353 0.600 . 1 . . . A 381 ASN C . 17399 1 328 . 1 1 31 31 ASN CA C 13 52.760 0.600 . 1 . . . A 381 ASN CA . 17399 1 329 . 1 1 31 31 ASN CB C 13 39.610 0.600 . 1 . . . A 381 ASN CB . 17399 1 330 . 1 1 31 31 ASN N N 15 113.810 0.500 . 1 . . . A 381 ASN N . 17399 1 331 . 1 1 32 32 THR H H 1 7.610 0.020 . 1 . . . A 382 THR H . 17399 1 332 . 1 1 32 32 THR HA H 1 4.639 0.020 . 1 . . . A 382 THR HA . 17399 1 333 . 1 1 32 32 THR HB H 1 4.228 0.020 . 1 . . . A 382 THR HB . 17399 1 334 . 1 1 32 32 THR HG21 H 1 1.900 0.020 . 1 . . . A 382 THR HG21 . 17399 1 335 . 1 1 32 32 THR HG22 H 1 1.900 0.020 . 1 . . . A 382 THR HG21 . 17399 1 336 . 1 1 32 32 THR HG23 H 1 1.900 0.020 . 1 . . . A 382 THR HG21 . 17399 1 337 . 1 1 32 32 THR C C 13 173.559 0.600 . 1 . . . A 382 THR C . 17399 1 338 . 1 1 32 32 THR CA C 13 59.380 0.600 . 1 . . . A 382 THR CA . 17399 1 339 . 1 1 32 32 THR CB C 13 70.950 0.600 . 1 . . . A 382 THR CB . 17399 1 340 . 1 1 32 32 THR CG2 C 13 21.878 0.600 . 1 . . . A 382 THR CG2 . 17399 1 341 . 1 1 32 32 THR N N 15 110.500 0.500 . 1 . . . A 382 THR N . 17399 1 342 . 1 1 33 33 THR H H 1 8.660 0.020 . 1 . . . A 383 THR H . 17399 1 343 . 1 1 33 33 THR HA H 1 5.650 0.020 . 1 . . . A 383 THR HA . 17399 1 344 . 1 1 33 33 THR HB H 1 4.201 0.020 . 1 . . . A 383 THR HB . 17399 1 345 . 1 1 33 33 THR HG21 H 1 1.552 0.020 . 1 . . . A 383 THR HG21 . 17399 1 346 . 1 1 33 33 THR HG22 H 1 1.552 0.020 . 1 . . . A 383 THR HG21 . 17399 1 347 . 1 1 33 33 THR HG23 H 1 1.552 0.020 . 1 . . . A 383 THR HG21 . 17399 1 348 . 1 1 33 33 THR C C 13 174.350 0.600 . 1 . . . A 383 THR C . 17399 1 349 . 1 1 33 33 THR CA C 13 63.690 0.600 . 1 . . . A 383 THR CA . 17399 1 350 . 1 1 33 33 THR CB C 13 69.300 0.600 . 1 . . . A 383 THR CB . 17399 1 351 . 1 1 33 33 THR CG2 C 13 23.132 0.600 . 1 . . . A 383 THR CG2 . 17399 1 352 . 1 1 33 33 THR N N 15 119.340 0.500 . 1 . . . A 383 THR N . 17399 1 353 . 1 1 34 34 VAL H H 1 8.190 0.020 . 1 . . . A 384 VAL H . 17399 1 354 . 1 1 34 34 VAL HA H 1 4.130 0.020 . 1 . . . A 384 VAL HA . 17399 1 355 . 1 1 34 34 VAL HB H 1 1.733 0.020 . 1 . . . A 384 VAL HB . 17399 1 356 . 1 1 34 34 VAL HG11 H 1 0.662 0.020 . 2 . . . A 384 VAL HG11 . 17399 1 357 . 1 1 34 34 VAL HG12 H 1 0.662 0.020 . 2 . . . A 384 VAL HG11 . 17399 1 358 . 1 1 34 34 VAL HG13 H 1 0.662 0.020 . 2 . . . A 384 VAL HG11 . 17399 1 359 . 1 1 34 34 VAL HG21 H 1 0.770 0.020 . 2 . . . A 384 VAL HG21 . 17399 1 360 . 1 1 34 34 VAL HG22 H 1 0.770 0.020 . 2 . . . A 384 VAL HG21 . 17399 1 361 . 1 1 34 34 VAL HG23 H 1 0.770 0.020 . 2 . . . A 384 VAL HG21 . 17399 1 362 . 1 1 34 34 VAL C C 13 173.852 0.600 . 1 . . . A 384 VAL C . 17399 1 363 . 1 1 34 34 VAL CA C 13 61.200 0.600 . 1 . . . A 384 VAL CA . 17399 1 364 . 1 1 34 34 VAL CB C 13 35.140 0.600 . 1 . . . A 384 VAL CB . 17399 1 365 . 1 1 34 34 VAL CG1 C 13 21.134 0.600 . 1 . . . A 384 VAL CG1 . 17399 1 366 . 1 1 34 34 VAL CG2 C 13 21.772 0.600 . 1 . . . A 384 VAL CG2 . 17399 1 367 . 1 1 34 34 VAL N N 15 128.270 0.500 . 1 . . . A 384 VAL N . 17399 1 368 . 1 1 35 35 ASP H H 1 8.970 0.020 . 1 . . . A 385 ASP H . 17399 1 369 . 1 1 35 35 ASP HA H 1 4.653 0.020 . 1 . . . A 385 ASP HA . 17399 1 370 . 1 1 35 35 ASP HB2 H 1 2.911 0.020 . 2 . . . A 385 ASP HB2 . 17399 1 371 . 1 1 35 35 ASP HB3 H 1 2.467 0.020 . 2 . . . A 385 ASP HB3 . 17399 1 372 . 1 1 35 35 ASP C C 13 176.818 0.600 . 1 . . . A 385 ASP C . 17399 1 373 . 1 1 35 35 ASP CA C 13 53.280 0.600 . 1 . . . A 385 ASP CA . 17399 1 374 . 1 1 35 35 ASP CB C 13 40.780 0.600 . 1 . . . A 385 ASP CB . 17399 1 375 . 1 1 35 35 ASP N N 15 128.510 0.500 . 1 . . . A 385 ASP N . 17399 1 376 . 1 1 36 36 LEU H H 1 8.280 0.020 . 1 . . . A 386 LEU H . 17399 1 377 . 1 1 36 36 LEU HA H 1 3.664 0.020 . 1 . . . A 386 LEU HA . 17399 1 378 . 1 1 36 36 LEU HB2 H 1 1.317 0.020 . 2 . . . A 386 LEU HB2 . 17399 1 379 . 1 1 36 36 LEU HB3 H 1 1.290 0.020 . 2 . . . A 386 LEU HB3 . 17399 1 380 . 1 1 36 36 LEU HD11 H 1 0.720 0.020 . 2 . . . A 386 LEU HD11 . 17399 1 381 . 1 1 36 36 LEU HD12 H 1 0.720 0.020 . 2 . . . A 386 LEU HD11 . 17399 1 382 . 1 1 36 36 LEU HD13 H 1 0.720 0.020 . 2 . . . A 386 LEU HD11 . 17399 1 383 . 1 1 36 36 LEU HD21 H 1 0.239 0.020 . 2 . . . A 386 LEU HD21 . 17399 1 384 . 1 1 36 36 LEU HD22 H 1 0.239 0.020 . 2 . . . A 386 LEU HD21 . 17399 1 385 . 1 1 36 36 LEU HD23 H 1 0.239 0.020 . 2 . . . A 386 LEU HD21 . 17399 1 386 . 1 1 36 36 LEU C C 13 178.393 0.600 . 1 . . . A 386 LEU C . 17399 1 387 . 1 1 36 36 LEU CA C 13 57.190 0.600 . 1 . . . A 386 LEU CA . 17399 1 388 . 1 1 36 36 LEU CB C 13 39.846 0.600 . 1 . . . A 386 LEU CB . 17399 1 389 . 1 1 36 36 LEU CG C 13 29.311 0.600 . 1 . . . A 386 LEU CG . 17399 1 390 . 1 1 36 36 LEU CD1 C 13 21.341 0.600 . 1 . . . A 386 LEU CD1 . 17399 1 391 . 1 1 36 36 LEU CD2 C 13 25.341 0.600 . 1 . . . A 386 LEU CD2 . 17399 1 392 . 1 1 36 36 LEU N N 15 125.300 0.500 . 1 . . . A 386 LEU N . 17399 1 393 . 1 1 37 37 LYS H H 1 8.600 0.020 . 1 . . . A 387 LYS H . 17399 1 394 . 1 1 37 37 LYS HA H 1 4.378 0.020 . 1 . . . A 387 LYS HA . 17399 1 395 . 1 1 37 37 LYS HB2 H 1 1.722 0.020 . 2 . . . A 387 LYS HB2 . 17399 1 396 . 1 1 37 37 LYS HB3 H 1 1.722 0.020 . 2 . . . A 387 LYS HB3 . 17399 1 397 . 1 1 37 37 LYS HG2 H 1 1.346 0.020 . 2 . . . A 387 LYS HG2 . 17399 1 398 . 1 1 37 37 LYS HG3 H 1 1.346 0.020 . 2 . . . A 387 LYS HG3 . 17399 1 399 . 1 1 37 37 LYS HD2 H 1 1.735 0.020 . 2 . . . A 387 LYS HD2 . 17399 1 400 . 1 1 37 37 LYS HD3 H 1 1.735 0.020 . 2 . . . A 387 LYS HD3 . 17399 1 401 . 1 1 37 37 LYS HE2 H 1 3.126 0.020 . 2 . . . A 387 LYS HE2 . 17399 1 402 . 1 1 37 37 LYS HE3 H 1 3.126 0.020 . 2 . . . A 387 LYS HE3 . 17399 1 403 . 1 1 37 37 LYS C C 13 178.906 0.600 . 1 . . . A 387 LYS C . 17399 1 404 . 1 1 37 37 LYS CA C 13 59.100 0.600 . 1 . . . A 387 LYS CA . 17399 1 405 . 1 1 37 37 LYS CB C 13 31.500 0.600 . 1 . . . A 387 LYS CB . 17399 1 406 . 1 1 37 37 LYS CG C 13 24.378 0.600 . 1 . . . A 387 LYS CG . 17399 1 407 . 1 1 37 37 LYS CD C 13 29.660 0.600 . 1 . . . A 387 LYS CD . 17399 1 408 . 1 1 37 37 LYS CE C 13 41.237 0.600 . 1 . . . A 387 LYS CE . 17399 1 409 . 1 1 37 37 LYS N N 15 116.840 0.500 . 1 . . . A 387 LYS N . 17399 1 410 . 1 1 38 38 ASP H H 1 7.520 0.020 . 1 . . . A 388 ASP H . 17399 1 411 . 1 1 38 38 ASP HA H 1 4.750 0.020 . 1 . . . A 388 ASP HA . 17399 1 412 . 1 1 38 38 ASP HB2 H 1 2.886 0.020 . 2 . . . A 388 ASP HB2 . 17399 1 413 . 1 1 38 38 ASP HB3 H 1 2.886 0.020 . 2 . . . A 388 ASP HB3 . 17399 1 414 . 1 1 38 38 ASP C C 13 176.488 0.600 . 1 . . . A 388 ASP C . 17399 1 415 . 1 1 38 38 ASP CA C 13 55.170 0.600 . 1 . . . A 388 ASP CA . 17399 1 416 . 1 1 38 38 ASP CB C 13 42.400 0.600 . 1 . . . A 388 ASP CB . 17399 1 417 . 1 1 38 38 ASP N N 15 117.640 0.500 . 1 . . . A 388 ASP N . 17399 1 418 . 1 1 39 39 VAL H H 1 8.160 0.020 . 1 . . . A 389 VAL H . 17399 1 419 . 1 1 39 39 VAL HA H 1 5.319 0.020 . 1 . . . A 389 VAL HA . 17399 1 420 . 1 1 39 39 VAL HB H 1 2.269 0.020 . 1 . . . A 389 VAL HB . 17399 1 421 . 1 1 39 39 VAL HG11 H 1 0.918 0.020 . 2 . . . A 389 VAL HG11 . 17399 1 422 . 1 1 39 39 VAL HG12 H 1 0.918 0.020 . 2 . . . A 389 VAL HG11 . 17399 1 423 . 1 1 39 39 VAL HG13 H 1 0.918 0.020 . 2 . . . A 389 VAL HG11 . 17399 1 424 . 1 1 39 39 VAL HG21 H 1 0.837 0.020 . 2 . . . A 389 VAL HG21 . 17399 1 425 . 1 1 39 39 VAL HG22 H 1 0.837 0.020 . 2 . . . A 389 VAL HG21 . 17399 1 426 . 1 1 39 39 VAL HG23 H 1 0.837 0.020 . 2 . . . A 389 VAL HG21 . 17399 1 427 . 1 1 39 39 VAL C C 13 176.452 0.600 . 1 . . . A 389 VAL C . 17399 1 428 . 1 1 39 39 VAL CA C 13 62.110 0.600 . 1 . . . A 389 VAL CA . 17399 1 429 . 1 1 39 39 VAL CB C 13 33.370 0.600 . 1 . . . A 389 VAL CB . 17399 1 430 . 1 1 39 39 VAL CG1 C 13 21.968 0.600 . 1 . . . A 389 VAL CG1 . 17399 1 431 . 1 1 39 39 VAL CG2 C 13 21.968 0.600 . 1 . . . A 389 VAL CG2 . 17399 1 432 . 1 1 39 39 VAL N N 15 124.140 0.500 . 1 . . . A 389 VAL N . 17399 1 433 . 1 1 40 40 THR H H 1 8.690 0.020 . 1 . . . A 390 THR H . 17399 1 434 . 1 1 40 40 THR HA H 1 5.600 0.020 . 1 . . . A 390 THR HA . 17399 1 435 . 1 1 40 40 THR HB H 1 3.945 0.020 . 1 . . . A 390 THR HB . 17399 1 436 . 1 1 40 40 THR HG21 H 1 1.660 0.020 . 1 . . . A 390 THR HG21 . 17399 1 437 . 1 1 40 40 THR HG22 H 1 1.660 0.020 . 1 . . . A 390 THR HG21 . 17399 1 438 . 1 1 40 40 THR HG23 H 1 1.660 0.020 . 1 . . . A 390 THR HG21 . 17399 1 439 . 1 1 40 40 THR C C 13 173.522 0.600 . 1 . . . A 390 THR C . 17399 1 440 . 1 1 40 40 THR CA C 13 58.350 0.600 . 1 . . . A 390 THR CA . 17399 1 441 . 1 1 40 40 THR CB C 13 73.960 0.600 . 1 . . . A 390 THR CB . 17399 1 442 . 1 1 40 40 THR CG2 C 13 23.938 0.600 . 1 . . . A 390 THR CG2 . 17399 1 443 . 1 1 40 40 THR N N 15 115.660 0.500 . 1 . . . A 390 THR N . 17399 1 444 . 1 1 41 41 ALA H H 1 9.400 0.020 . 1 . . . A 391 ALA H . 17399 1 445 . 1 1 41 41 ALA HA H 1 6.125 0.020 . 1 . . . A 391 ALA HA . 17399 1 446 . 1 1 41 41 ALA HB1 H 1 1.201 0.020 . 1 . . . A 391 ALA HB3 . 17399 1 447 . 1 1 41 41 ALA HB2 H 1 1.201 0.020 . 1 . . . A 391 ALA HB3 . 17399 1 448 . 1 1 41 41 ALA HB3 H 1 1.201 0.020 . 1 . . . A 391 ALA HB3 . 17399 1 449 . 1 1 41 41 ALA C C 13 176.965 0.600 . 1 . . . A 391 ALA C . 17399 1 450 . 1 1 41 41 ALA CA C 13 49.330 0.600 . 1 . . . A 391 ALA CA . 17399 1 451 . 1 1 41 41 ALA CB C 13 23.311 0.600 . 1 . . . A 391 ALA CB . 17399 1 452 . 1 1 41 41 ALA N N 15 121.810 0.500 . 1 . . . A 391 ALA N . 17399 1 453 . 1 1 42 42 ARG H H 1 9.360 0.020 . 1 . . . A 392 ARG H . 17399 1 454 . 1 1 42 42 ARG HA H 1 5.382 0.020 . 1 . . . A 392 ARG HA . 17399 1 455 . 1 1 42 42 ARG HB2 H 1 1.799 0.020 . 2 . . . A 392 ARG HB2 . 17399 1 456 . 1 1 42 42 ARG HB3 H 1 1.172 0.020 . 2 . . . A 392 ARG HB3 . 17399 1 457 . 1 1 42 42 ARG HG2 H 1 1.445 0.020 . 2 . . . A 392 ARG HG2 . 17399 1 458 . 1 1 42 42 ARG HG3 H 1 1.445 0.020 . 2 . . . A 392 ARG HG3 . 17399 1 459 . 1 1 42 42 ARG HD2 H 1 3.229 0.020 . 2 . . . A 392 ARG HD2 . 17399 1 460 . 1 1 42 42 ARG HD3 H 1 3.229 0.020 . 2 . . . A 392 ARG HD3 . 17399 1 461 . 1 1 42 42 ARG C C 13 172.570 0.600 . 1 . . . A 392 ARG C . 17399 1 462 . 1 1 42 42 ARG CA C 13 55.160 0.600 . 1 . . . A 392 ARG CA . 17399 1 463 . 1 1 42 42 ARG CB C 13 33.270 0.600 . 1 . . . A 392 ARG CB . 17399 1 464 . 1 1 42 42 ARG CG C 13 28.147 0.600 . 1 . . . A 392 ARG CG . 17399 1 465 . 1 1 42 42 ARG CD C 13 42.564 0.600 . 1 . . . A 392 ARG CD . 17399 1 466 . 1 1 42 42 ARG N N 15 118.240 0.500 . 1 . . . A 392 ARG N . 17399 1 467 . 1 1 43 43 TYR H H 1 8.750 0.020 . 1 . . . A 393 TYR H . 17399 1 468 . 1 1 43 43 TYR HA H 1 4.814 0.020 . 1 . . . A 393 TYR HA . 17399 1 469 . 1 1 43 43 TYR HB2 H 1 3.297 0.020 . 2 . . . A 393 TYR HB2 . 17399 1 470 . 1 1 43 43 TYR HB3 H 1 3.297 0.020 . 2 . . . A 393 TYR HB3 . 17399 1 471 . 1 1 43 43 TYR HD1 H 1 6.915 0.020 . 3 . . . A 393 TYR HD1 . 17399 1 472 . 1 1 43 43 TYR HD2 H 1 6.915 0.020 . 3 . . . A 393 TYR HD2 . 17399 1 473 . 1 1 43 43 TYR HE1 H 1 6.851 0.020 . 3 . . . A 393 TYR HE1 . 17399 1 474 . 1 1 43 43 TYR HE2 H 1 6.851 0.020 . 3 . . . A 393 TYR HE2 . 17399 1 475 . 1 1 43 43 TYR C C 13 173.925 0.600 . 1 . . . A 393 TYR C . 17399 1 476 . 1 1 43 43 TYR CA C 13 57.710 0.600 . 1 . . . A 393 TYR CA . 17399 1 477 . 1 1 43 43 TYR CB C 13 42.220 0.600 . 1 . . . A 393 TYR CB . 17399 1 478 . 1 1 43 43 TYR CD1 C 13 130.947 0.600 . 3 . . . A 393 TYR CD1 . 17399 1 479 . 1 1 43 43 TYR CD2 C 13 130.947 0.600 . 3 . . . A 393 TYR CD2 . 17399 1 480 . 1 1 43 43 TYR CE1 C 13 118.650 0.600 . 3 . . . A 393 TYR CE1 . 17399 1 481 . 1 1 43 43 TYR CE2 C 13 118.650 0.600 . 3 . . . A 393 TYR CE2 . 17399 1 482 . 1 1 43 43 TYR N N 15 124.000 0.500 . 1 . . . A 393 TYR N . 17399 1 483 . 1 1 44 44 TRP H H 1 9.560 0.020 . 1 . . . A 394 TRP H . 17399 1 484 . 1 1 44 44 TRP HA H 1 5.187 0.020 . 1 . . . A 394 TRP HA . 17399 1 485 . 1 1 44 44 TRP HB2 H 1 3.652 0.020 . 2 . . . A 394 TRP HB2 . 17399 1 486 . 1 1 44 44 TRP HB3 H 1 3.161 0.020 . 2 . . . A 394 TRP HB3 . 17399 1 487 . 1 1 44 44 TRP HE1 H 1 9.779 0.020 . 1 . . . A 394 TRP HE1 . 17399 1 488 . 1 1 44 44 TRP HE3 H 1 7.340 0.020 . 1 . . . A 394 TRP HE3 . 17399 1 489 . 1 1 44 44 TRP HZ2 H 1 7.304 0.020 . 1 . . . A 394 TRP HZ2 . 17399 1 490 . 1 1 44 44 TRP C C 13 174.657 0.600 . 1 . . . A 394 TRP C . 17399 1 491 . 1 1 44 44 TRP CA C 13 56.958 0.600 . 1 . . . A 394 TRP CA . 17399 1 492 . 1 1 44 44 TRP CB C 13 30.300 0.600 . 1 . . . A 394 TRP CB . 17399 1 493 . 1 1 44 44 TRP CE3 C 13 118.151 0.600 . 1 . . . A 394 TRP CE3 . 17399 1 494 . 1 1 44 44 TRP CZ2 C 13 111.374 0.600 . 1 . . . A 394 TRP CZ2 . 17399 1 495 . 1 1 44 44 TRP N N 15 130.960 0.500 . 1 . . . A 394 TRP N . 17399 1 496 . 1 1 44 44 TRP NE1 N 15 127.619 0.500 . 1 . . . A 394 TRP NE1 . 17399 1 497 . 1 1 45 45 TYR H H 1 9.150 0.020 . 1 . . . A 395 TYR H . 17399 1 498 . 1 1 45 45 TYR HA H 1 5.333 0.020 . 1 . . . A 395 TYR HA . 17399 1 499 . 1 1 45 45 TYR HB2 H 1 3.352 0.020 . 2 . . . A 395 TYR HB2 . 17399 1 500 . 1 1 45 45 TYR HB3 H 1 3.930 0.020 . 2 . . . A 395 TYR HB3 . 17399 1 501 . 1 1 45 45 TYR HD1 H 1 6.909 0.020 . 3 . . . A 395 TYR HD1 . 17399 1 502 . 1 1 45 45 TYR HD2 H 1 6.909 0.020 . 3 . . . A 395 TYR HD2 . 17399 1 503 . 1 1 45 45 TYR HE1 H 1 6.871 0.020 . 3 . . . A 395 TYR HE1 . 17399 1 504 . 1 1 45 45 TYR HE2 H 1 6.871 0.020 . 3 . . . A 395 TYR HE2 . 17399 1 505 . 1 1 45 45 TYR C C 13 174.108 0.600 . 1 . . . A 395 TYR C . 17399 1 506 . 1 1 45 45 TYR CA C 13 56.958 0.600 . 1 . . . A 395 TYR CA . 17399 1 507 . 1 1 45 45 TYR CB C 13 38.438 0.600 . 1 . . . A 395 TYR CB . 17399 1 508 . 1 1 45 45 TYR CD1 C 13 131.970 0.600 . 3 . . . A 395 TYR CD1 . 17399 1 509 . 1 1 45 45 TYR CD2 C 13 131.970 0.600 . 3 . . . A 395 TYR CD2 . 17399 1 510 . 1 1 45 45 TYR CE1 C 13 117.764 0.600 . 3 . . . A 395 TYR CE1 . 17399 1 511 . 1 1 45 45 TYR CE2 C 13 117.764 0.600 . 3 . . . A 395 TYR CE2 . 17399 1 512 . 1 1 45 45 TYR N N 15 120.510 0.500 . 1 . . . A 395 TYR N . 17399 1 513 . 1 1 46 46 LYS H H 1 9.110 0.020 . 1 . . . A 396 LYS H . 17399 1 514 . 1 1 46 46 LYS HA H 1 4.337 0.020 . 1 . . . A 396 LYS HA . 17399 1 515 . 1 1 46 46 LYS HB2 H 1 1.924 0.020 . 2 . . . A 396 LYS HB2 . 17399 1 516 . 1 1 46 46 LYS HB3 H 1 1.661 0.020 . 2 . . . A 396 LYS HB3 . 17399 1 517 . 1 1 46 46 LYS HG2 H 1 1.281 0.020 . 2 . . . A 396 LYS HG2 . 17399 1 518 . 1 1 46 46 LYS HG3 H 1 1.281 0.020 . 2 . . . A 396 LYS HG3 . 17399 1 519 . 1 1 46 46 LYS HD2 H 1 1.697 0.020 . 2 . . . A 396 LYS HD2 . 17399 1 520 . 1 1 46 46 LYS HD3 H 1 1.697 0.020 . 2 . . . A 396 LYS HD3 . 17399 1 521 . 1 1 46 46 LYS HE2 H 1 3.300 0.020 . 2 . . . A 396 LYS HE2 . 17399 1 522 . 1 1 46 46 LYS HE3 H 1 3.300 0.020 . 2 . . . A 396 LYS HE3 . 17399 1 523 . 1 1 46 46 LYS C C 13 174.474 0.600 . 1 . . . A 396 LYS C . 17399 1 524 . 1 1 46 46 LYS CA C 13 55.836 0.600 . 1 . . . A 396 LYS CA . 17399 1 525 . 1 1 46 46 LYS CB C 13 32.732 0.600 . 1 . . . A 396 LYS CB . 17399 1 526 . 1 1 46 46 LYS CG C 13 26.904 0.600 . 1 . . . A 396 LYS CG . 17399 1 527 . 1 1 46 46 LYS CD C 13 28.978 0.600 . 1 . . . A 396 LYS CD . 17399 1 528 . 1 1 46 46 LYS CE C 13 42.670 0.600 . 1 . . . A 396 LYS CE . 17399 1 529 . 1 1 46 46 LYS N N 15 120.830 0.500 . 1 . . . A 396 LYS N . 17399 1 530 . 1 1 47 47 ALA H H 1 10.670 0.020 . 1 . . . A 397 ALA H . 17399 1 531 . 1 1 47 47 ALA HA H 1 4.769 0.020 . 1 . . . A 397 ALA HA . 17399 1 532 . 1 1 47 47 ALA HB1 H 1 1.302 0.020 . 1 . . . A 397 ALA HB3 . 17399 1 533 . 1 1 47 47 ALA HB2 H 1 1.302 0.020 . 1 . . . A 397 ALA HB3 . 17399 1 534 . 1 1 47 47 ALA HB3 H 1 1.302 0.020 . 1 . . . A 397 ALA HB3 . 17399 1 535 . 1 1 47 47 ALA C C 13 179.601 0.600 . 1 . . . A 397 ALA C . 17399 1 536 . 1 1 47 47 ALA CA C 13 51.160 0.600 . 1 . . . A 397 ALA CA . 17399 1 537 . 1 1 47 47 ALA CB C 13 20.200 0.600 . 1 . . . A 397 ALA CB . 17399 1 538 . 1 1 47 47 ALA N N 15 128.940 0.500 . 1 . . . A 397 ALA N . 17399 1 539 . 1 1 48 48 LYS H H 1 9.910 0.020 . 1 . . . A 398 LYS H . 17399 1 540 . 1 1 48 48 LYS C C 13 175.536 0.600 . 1 . . . A 398 LYS C . 17399 1 541 . 1 1 48 48 LYS CA C 13 56.865 0.600 . 1 . . . A 398 LYS CA . 17399 1 542 . 1 1 48 48 LYS CB C 13 29.440 0.600 . 1 . . . A 398 LYS CB . 17399 1 543 . 1 1 48 48 LYS N N 15 120.160 0.500 . 1 . . . A 398 LYS N . 17399 1 544 . 1 1 49 49 ASN H H 1 8.570 0.020 . 1 . . . A 399 ASN H . 17399 1 545 . 1 1 49 49 ASN HA H 1 4.166 0.020 . 1 . . . A 399 ASN HA . 17399 1 546 . 1 1 49 49 ASN HB2 H 1 2.992 0.020 . 2 . . . A 399 ASN HB2 . 17399 1 547 . 1 1 49 49 ASN HB3 H 1 2.769 0.020 . 2 . . . A 399 ASN HB3 . 17399 1 548 . 1 1 49 49 ASN C C 13 174.802 0.600 . 1 . . . A 399 ASN C . 17399 1 549 . 1 1 49 49 ASN CA C 13 54.526 0.600 . 1 . . . A 399 ASN CA . 17399 1 550 . 1 1 49 49 ASN CB C 13 37.720 0.600 . 1 . . . A 399 ASN CB . 17399 1 551 . 1 1 49 49 ASN N N 15 110.160 0.500 . 1 . . . A 399 ASN N . 17399 1 552 . 1 1 50 50 LYS H H 1 7.350 0.020 . 1 . . . A 400 LYS H . 17399 1 553 . 1 1 50 50 LYS HA H 1 4.337 0.020 . 1 . . . A 400 LYS HA . 17399 1 554 . 1 1 50 50 LYS HB2 H 1 1.535 0.020 . 2 . . . A 400 LYS HB2 . 17399 1 555 . 1 1 50 50 LYS HB3 H 1 1.535 0.020 . 2 . . . A 400 LYS HB3 . 17399 1 556 . 1 1 50 50 LYS HG2 H 1 1.676 0.020 . 2 . . . A 400 LYS HG2 . 17399 1 557 . 1 1 50 50 LYS HG3 H 1 1.676 0.020 . 2 . . . A 400 LYS HG3 . 17399 1 558 . 1 1 50 50 LYS HE2 H 1 2.987 0.020 . 2 . . . A 400 LYS HE2 . 17399 1 559 . 1 1 50 50 LYS HE3 H 1 2.987 0.020 . 2 . . . A 400 LYS HE3 . 17399 1 560 . 1 1 50 50 LYS C C 13 178.722 0.600 . 1 . . . A 400 LYS C . 17399 1 561 . 1 1 50 50 LYS CA C 13 55.181 0.600 . 1 . . . A 400 LYS CA . 17399 1 562 . 1 1 50 50 LYS CB C 13 33.760 0.600 . 1 . . . A 400 LYS CB . 17399 1 563 . 1 1 50 50 LYS CG C 13 27.870 0.600 . 1 . . . A 400 LYS CG . 17399 1 564 . 1 1 50 50 LYS CD C 13 28.993 0.600 . 1 . . . A 400 LYS CD . 17399 1 565 . 1 1 50 50 LYS CE C 13 42.253 0.600 . 1 . . . A 400 LYS CE . 17399 1 566 . 1 1 50 50 LYS N N 15 118.820 0.500 . 1 . . . A 400 LYS N . 17399 1 567 . 1 1 51 51 GLY H H 1 9.400 0.020 . 1 . . . A 401 GLY H . 17399 1 568 . 1 1 51 51 GLY HA2 H 1 4.187 0.020 . 2 . . . A 401 GLY HA2 . 17399 1 569 . 1 1 51 51 GLY HA3 H 1 3.788 0.020 . 2 . . . A 401 GLY HA3 . 17399 1 570 . 1 1 51 51 GLY C C 13 173.460 0.600 . 1 . . . A 401 GLY C . 17399 1 571 . 1 1 51 51 GLY CA C 13 46.389 0.600 . 1 . . . A 401 GLY CA . 17399 1 572 . 1 1 51 51 GLY N N 15 115.830 0.500 . 1 . . . A 401 GLY N . 17399 1 573 . 1 1 52 52 GLN H H 1 8.170 0.020 . 1 . . . A 402 GLN H . 17399 1 574 . 1 1 52 52 GLN HA H 1 4.319 0.020 . 1 . . . A 402 GLN HA . 17399 1 575 . 1 1 52 52 GLN HB2 H 1 1.853 0.020 . 2 . . . A 402 GLN HB2 . 17399 1 576 . 1 1 52 52 GLN HB3 H 1 1.853 0.020 . 2 . . . A 402 GLN HB3 . 17399 1 577 . 1 1 52 52 GLN HG2 H 1 2.750 0.020 . 2 . . . A 402 GLN HG2 . 17399 1 578 . 1 1 52 52 GLN HG3 H 1 2.750 0.020 . 2 . . . A 402 GLN HG3 . 17399 1 579 . 1 1 52 52 GLN C C 13 175.500 0.600 . 1 . . . A 402 GLN C . 17399 1 580 . 1 1 52 52 GLN CA C 13 52.936 0.600 . 1 . . . A 402 GLN CA . 17399 1 581 . 1 1 52 52 GLN CB C 13 30.768 0.600 . 1 . . . A 402 GLN CB . 17399 1 582 . 1 1 52 52 GLN CG C 13 33.331 0.600 . 1 . . . A 402 GLN CG . 17399 1 583 . 1 1 52 52 GLN N N 15 121.330 0.500 . 1 . . . A 402 GLN N . 17399 1 584 . 1 1 53 53 ASN H H 1 7.310 0.020 . 1 . . . A 403 ASN H . 17399 1 585 . 1 1 53 53 ASN HA H 1 4.783 0.020 . 1 . . . A 403 ASN HA . 17399 1 586 . 1 1 53 53 ASN HB2 H 1 2.871 0.020 . 2 . . . A 403 ASN HB2 . 17399 1 587 . 1 1 53 53 ASN HB3 H 1 2.871 0.020 . 2 . . . A 403 ASN HB3 . 17399 1 588 . 1 1 53 53 ASN C C 13 172.200 0.600 . 1 . . . A 403 ASN C . 17399 1 589 . 1 1 53 53 ASN CA C 13 52.760 0.600 . 1 . . . A 403 ASN CA . 17399 1 590 . 1 1 53 53 ASN CB C 13 41.431 0.600 . 1 . . . A 403 ASN CB . 17399 1 591 . 1 1 53 53 ASN N N 15 117.500 0.500 . 1 . . . A 403 ASN N . 17399 1 592 . 1 1 54 54 PHE H H 1 9.800 0.020 . 1 . . . A 404 PHE H . 17399 1 593 . 1 1 54 54 PHE HA H 1 4.875 0.020 . 1 . . . A 404 PHE HA . 17399 1 594 . 1 1 54 54 PHE HB2 H 1 2.507 0.020 . 2 . . . A 404 PHE HB2 . 17399 1 595 . 1 1 54 54 PHE HB3 H 1 2.507 0.020 . 2 . . . A 404 PHE HB3 . 17399 1 596 . 1 1 54 54 PHE HD1 H 1 6.929 0.020 . 3 . . . A 404 PHE HD1 . 17399 1 597 . 1 1 54 54 PHE HD2 H 1 6.929 0.020 . 3 . . . A 404 PHE HD2 . 17399 1 598 . 1 1 54 54 PHE C C 13 173.900 0.600 . 1 . . . A 404 PHE C . 17399 1 599 . 1 1 54 54 PHE CA C 13 56.958 0.600 . 1 . . . A 404 PHE CA . 17399 1 600 . 1 1 54 54 PHE CB C 13 43.210 0.600 . 1 . . . A 404 PHE CB . 17399 1 601 . 1 1 54 54 PHE CD1 C 13 131.970 0.600 . 3 . . . A 404 PHE CD1 . 17399 1 602 . 1 1 54 54 PHE CD2 C 13 131.970 0.600 . 3 . . . A 404 PHE CD2 . 17399 1 603 . 1 1 54 54 PHE N N 15 124.000 0.500 . 1 . . . A 404 PHE N . 17399 1 604 . 1 1 55 55 ASP H H 1 8.100 0.020 . 1 . . . A 405 ASP H . 17399 1 605 . 1 1 55 55 ASP HA H 1 4.486 0.020 . 1 . . . A 405 ASP HA . 17399 1 606 . 1 1 55 55 ASP HB2 H 1 2.230 0.020 . 2 . . . A 405 ASP HB2 . 17399 1 607 . 1 1 55 55 ASP HB3 H 1 2.230 0.020 . 2 . . . A 405 ASP HB3 . 17399 1 608 . 1 1 55 55 ASP C C 13 172.130 0.600 . 1 . . . A 405 ASP C . 17399 1 609 . 1 1 55 55 ASP CA C 13 53.778 0.600 . 1 . . . A 405 ASP CA . 17399 1 610 . 1 1 55 55 ASP CB C 13 45.547 0.600 . 1 . . . A 405 ASP CB . 17399 1 611 . 1 1 55 55 ASP N N 15 124.980 0.500 . 1 . . . A 405 ASP N . 17399 1 612 . 1 1 56 56 CYS H H 1 8.640 0.020 . 1 . . . A 406 CYS H . 17399 1 613 . 1 1 56 56 CYS HA H 1 4.389 0.020 . 1 . . . A 406 CYS HA . 17399 1 614 . 1 1 56 56 CYS HB2 H 1 3.107 0.020 . 2 . . . A 406 CYS HB2 . 17399 1 615 . 1 1 56 56 CYS HB3 H 1 2.861 0.020 . 2 . . . A 406 CYS HB3 . 17399 1 616 . 1 1 56 56 CYS C C 13 172.863 0.600 . 1 . . . A 406 CYS C . 17399 1 617 . 1 1 56 56 CYS CA C 13 54.994 0.600 . 1 . . . A 406 CYS CA . 17399 1 618 . 1 1 56 56 CYS CB C 13 39.350 0.600 . 1 . . . A 406 CYS CB . 17399 1 619 . 1 1 56 56 CYS N N 15 121.160 0.500 . 1 . . . A 406 CYS N . 17399 1 620 . 1 1 57 57 ASP H H 1 8.670 0.020 . 1 . . . A 407 ASP H . 17399 1 621 . 1 1 57 57 ASP HA H 1 4.627 0.020 . 1 . . . A 407 ASP HA . 17399 1 622 . 1 1 57 57 ASP HB2 H 1 2.960 0.020 . 2 . . . A 407 ASP HB2 . 17399 1 623 . 1 1 57 57 ASP HB3 H 1 2.664 0.020 . 2 . . . A 407 ASP HB3 . 17399 1 624 . 1 1 57 57 ASP C C 13 176.672 0.600 . 1 . . . A 407 ASP C . 17399 1 625 . 1 1 57 57 ASP CA C 13 55.618 0.600 . 1 . . . A 407 ASP CA . 17399 1 626 . 1 1 57 57 ASP CB C 13 41.890 0.600 . 1 . . . A 407 ASP CB . 17399 1 627 . 1 1 57 57 ASP N N 15 129.150 0.500 . 1 . . . A 407 ASP N . 17399 1 628 . 1 1 58 58 TYR H H 1 7.660 0.020 . 1 . . . A 408 TYR H . 17399 1 629 . 1 1 58 58 TYR HA H 1 4.416 0.020 . 1 . . . A 408 TYR HA . 17399 1 630 . 1 1 58 58 TYR HB2 H 1 3.393 0.020 . 2 . . . A 408 TYR HB2 . 17399 1 631 . 1 1 58 58 TYR HB3 H 1 2.603 0.020 . 2 . . . A 408 TYR HB3 . 17399 1 632 . 1 1 58 58 TYR HD1 H 1 6.909 0.020 . 3 . . . A 408 TYR HD1 . 17399 1 633 . 1 1 58 58 TYR HD2 H 1 6.909 0.020 . 3 . . . A 408 TYR HD2 . 17399 1 634 . 1 1 58 58 TYR C C 13 172.350 0.600 . 1 . . . A 408 TYR C . 17399 1 635 . 1 1 58 58 TYR CA C 13 58.828 0.600 . 1 . . . A 408 TYR CA . 17399 1 636 . 1 1 58 58 TYR CB C 13 41.660 0.600 . 1 . . . A 408 TYR CB . 17399 1 637 . 1 1 58 58 TYR CD1 C 13 131.357 0.600 . 3 . . . A 408 TYR CD1 . 17399 1 638 . 1 1 58 58 TYR CD2 C 13 131.357 0.600 . 3 . . . A 408 TYR CD2 . 17399 1 639 . 1 1 58 58 TYR N N 15 117.490 0.500 . 1 . . . A 408 TYR N . 17399 1 640 . 1 1 59 59 ALA H H 1 7.590 0.020 . 1 . . . A 409 ALA H . 17399 1 641 . 1 1 59 59 ALA HA H 1 4.930 0.020 . 1 . . . A 409 ALA HA . 17399 1 642 . 1 1 59 59 ALA HB1 H 1 1.810 0.020 . 1 . . . A 409 ALA HB3 . 17399 1 643 . 1 1 59 59 ALA HB2 H 1 1.810 0.020 . 1 . . . A 409 ALA HB3 . 17399 1 644 . 1 1 59 59 ALA HB3 H 1 1.810 0.020 . 1 . . . A 409 ALA HB3 . 17399 1 645 . 1 1 59 59 ALA C C 13 176.745 0.600 . 1 . . . A 409 ALA C . 17399 1 646 . 1 1 59 59 ALA CA C 13 50.500 0.600 . 1 . . . A 409 ALA CA . 17399 1 647 . 1 1 59 59 ALA CB C 13 19.900 0.600 . 1 . . . A 409 ALA CB . 17399 1 648 . 1 1 59 59 ALA N N 15 127.150 0.500 . 1 . . . A 409 ALA N . 17399 1 649 . 1 1 60 60 GLN H H 1 8.360 0.020 . 1 . . . A 410 GLN H . 17399 1 650 . 1 1 60 60 GLN HA H 1 3.937 0.020 . 1 . . . A 410 GLN HA . 17399 1 651 . 1 1 60 60 GLN HB2 H 1 1.930 0.020 . 2 . . . A 410 GLN HB2 . 17399 1 652 . 1 1 60 60 GLN HB3 H 1 1.930 0.020 . 2 . . . A 410 GLN HB3 . 17399 1 653 . 1 1 60 60 GLN HG2 H 1 2.385 0.020 . 2 . . . A 410 GLN HG2 . 17399 1 654 . 1 1 60 60 GLN HG3 H 1 2.385 0.020 . 2 . . . A 410 GLN HG3 . 17399 1 655 . 1 1 60 60 GLN C C 13 178.270 0.600 . 1 . . . A 410 GLN C . 17399 1 656 . 1 1 60 60 GLN CA C 13 59.600 0.600 . 1 . . . A 410 GLN CA . 17399 1 657 . 1 1 60 60 GLN CB C 13 28.149 0.600 . 1 . . . A 410 GLN CB . 17399 1 658 . 1 1 60 60 GLN CG C 13 34.295 0.600 . 1 . . . A 410 GLN CG . 17399 1 659 . 1 1 60 60 GLN N N 15 130.420 0.500 . 1 . . . A 410 GLN N . 17399 1 660 . 1 1 61 61 ILE H H 1 8.240 0.020 . 1 . . . A 411 ILE H . 17399 1 661 . 1 1 61 61 ILE HA H 1 4.230 0.020 . 1 . . . A 411 ILE HA . 17399 1 662 . 1 1 61 61 ILE HB H 1 2.155 0.020 . 1 . . . A 411 ILE HB . 17399 1 663 . 1 1 61 61 ILE HG12 H 1 1.429 0.020 . 1 . . . A 411 ILE HG12 . 17399 1 664 . 1 1 61 61 ILE HG13 H 1 1.429 0.020 . 1 . . . A 411 ILE HG13 . 17399 1 665 . 1 1 61 61 ILE HG21 H 1 0.969 0.020 . 1 . . . A 411 ILE HG21 . 17399 1 666 . 1 1 61 61 ILE HG22 H 1 0.969 0.020 . 1 . . . A 411 ILE HG21 . 17399 1 667 . 1 1 61 61 ILE HG23 H 1 0.969 0.020 . 1 . . . A 411 ILE HG21 . 17399 1 668 . 1 1 61 61 ILE HD11 H 1 0.920 0.020 . 1 . . . A 411 ILE HD11 . 17399 1 669 . 1 1 61 61 ILE HD12 H 1 0.920 0.020 . 1 . . . A 411 ILE HD11 . 17399 1 670 . 1 1 61 61 ILE HD13 H 1 0.920 0.020 . 1 . . . A 411 ILE HD11 . 17399 1 671 . 1 1 61 61 ILE C C 13 175.390 0.600 . 1 . . . A 411 ILE C . 17399 1 672 . 1 1 61 61 ILE CA C 13 62.900 0.600 . 1 . . . A 411 ILE CA . 17399 1 673 . 1 1 61 61 ILE CB C 13 38.960 0.600 . 1 . . . A 411 ILE CB . 17399 1 674 . 1 1 61 61 ILE CG1 C 13 26.430 0.600 . 1 . . . A 411 ILE CG1 . 17399 1 675 . 1 1 61 61 ILE CG2 C 13 16.751 0.600 . 1 . . . A 411 ILE CG2 . 17399 1 676 . 1 1 61 61 ILE CD1 C 13 15.340 0.600 . 1 . . . A 411 ILE CD1 . 17399 1 677 . 1 1 61 61 ILE N N 15 111.100 0.500 . 1 . . . A 411 ILE N . 17399 1 678 . 1 1 62 62 GLY H H 1 7.500 0.020 . 1 . . . A 412 GLY H . 17399 1 679 . 1 1 62 62 GLY HA2 H 1 3.664 0.020 . 2 . . . A 412 GLY HA2 . 17399 1 680 . 1 1 62 62 GLY HA3 H 1 4.458 0.020 . 2 . . . A 412 GLY HA3 . 17399 1 681 . 1 1 62 62 GLY CA C 13 44.530 0.600 . 1 . . . A 412 GLY CA . 17399 1 682 . 1 1 62 62 GLY N N 15 110.820 0.500 . 1 . . . A 412 GLY N . 17399 1 683 . 1 1 63 63 CYS H H 1 8.640 0.020 . 1 . . . A 413 CYS H . 17399 1 684 . 1 1 63 63 CYS HA H 1 4.389 0.020 . 1 . . . A 413 CYS HA . 17399 1 685 . 1 1 63 63 CYS HB2 H 1 2.861 0.020 . 2 . . . A 413 CYS HB2 . 17399 1 686 . 1 1 63 63 CYS HB3 H 1 2.861 0.020 . 2 . . . A 413 CYS HB3 . 17399 1 687 . 1 1 63 63 CYS CA C 13 58.330 0.600 . 1 . . . A 413 CYS CA . 17399 1 688 . 1 1 63 63 CYS CB C 13 38.999 0.600 . 1 . . . A 413 CYS CB . 17399 1 689 . 1 1 63 63 CYS N N 15 121.160 0.500 . 1 . . . A 413 CYS N . 17399 1 690 . 1 1 64 64 GLY H H 1 8.410 0.020 . 1 . . . A 414 GLY H . 17399 1 691 . 1 1 64 64 GLY HA2 H 1 3.788 0.020 . 2 . . . A 414 GLY HA2 . 17399 1 692 . 1 1 64 64 GLY HA3 H 1 4.130 0.020 . 2 . . . A 414 GLY HA3 . 17399 1 693 . 1 1 64 64 GLY C C 13 174.364 0.600 . 1 . . . A 414 GLY C . 17399 1 694 . 1 1 64 64 GLY CA C 13 46.202 0.600 . 1 . . . A 414 GLY CA . 17399 1 695 . 1 1 64 64 GLY N N 15 116.647 0.500 . 1 . . . A 414 GLY N . 17399 1 696 . 1 1 65 65 ASN H H 1 7.870 0.020 . 1 . . . A 415 ASN H . 17399 1 697 . 1 1 65 65 ASN HA H 1 4.972 0.020 . 1 . . . A 415 ASN HA . 17399 1 698 . 1 1 65 65 ASN HB2 H 1 2.810 0.020 . 2 . . . A 415 ASN HB2 . 17399 1 699 . 1 1 65 65 ASN HB3 H 1 2.810 0.020 . 2 . . . A 415 ASN HB3 . 17399 1 700 . 1 1 65 65 ASN C C 13 173.998 0.600 . 1 . . . A 415 ASN C . 17399 1 701 . 1 1 65 65 ASN CA C 13 53.200 0.600 . 1 . . . A 415 ASN CA . 17399 1 702 . 1 1 65 65 ASN CB C 13 40.450 0.600 . 1 . . . A 415 ASN CB . 17399 1 703 . 1 1 65 65 ASN N N 15 115.970 0.500 . 1 . . . A 415 ASN N . 17399 1 704 . 1 1 66 66 VAL H H 1 7.490 0.020 . 1 . . . A 416 VAL H . 17399 1 705 . 1 1 66 66 VAL HA H 1 4.764 0.020 . 1 . . . A 416 VAL HA . 17399 1 706 . 1 1 66 66 VAL HB H 1 2.332 0.020 . 1 . . . A 416 VAL HB . 17399 1 707 . 1 1 66 66 VAL HG11 H 1 0.966 0.020 . 2 . . . A 416 VAL HG11 . 17399 1 708 . 1 1 66 66 VAL HG12 H 1 0.966 0.020 . 2 . . . A 416 VAL HG11 . 17399 1 709 . 1 1 66 66 VAL HG13 H 1 0.966 0.020 . 2 . . . A 416 VAL HG11 . 17399 1 710 . 1 1 66 66 VAL HG21 H 1 0.966 0.020 . 2 . . . A 416 VAL HG21 . 17399 1 711 . 1 1 66 66 VAL HG22 H 1 0.966 0.020 . 2 . . . A 416 VAL HG21 . 17399 1 712 . 1 1 66 66 VAL HG23 H 1 0.966 0.020 . 2 . . . A 416 VAL HG21 . 17399 1 713 . 1 1 66 66 VAL C C 13 175.756 0.600 . 1 . . . A 416 VAL C . 17399 1 714 . 1 1 66 66 VAL CA C 13 61.168 0.600 . 1 . . . A 416 VAL CA . 17399 1 715 . 1 1 66 66 VAL CB C 13 33.200 0.600 . 1 . . . A 416 VAL CB . 17399 1 716 . 1 1 66 66 VAL CG1 C 13 21.495 0.600 . 1 . . . A 416 VAL CG1 . 17399 1 717 . 1 1 66 66 VAL CG2 C 13 21.475 0.600 . 1 . . . A 416 VAL CG2 . 17399 1 718 . 1 1 66 66 VAL N N 15 120.150 0.500 . 1 . . . A 416 VAL N . 17399 1 719 . 1 1 67 67 THR H H 1 8.590 0.020 . 1 . . . A 417 THR H . 17399 1 720 . 1 1 67 67 THR HA H 1 4.486 0.020 . 1 . . . A 417 THR HA . 17399 1 721 . 1 1 67 67 THR HB H 1 4.400 0.020 . 1 . . . A 417 THR HB . 17399 1 722 . 1 1 67 67 THR HG21 H 1 0.689 0.020 . 1 . . . A 417 THR HG21 . 17399 1 723 . 1 1 67 67 THR HG22 H 1 0.689 0.020 . 1 . . . A 417 THR HG21 . 17399 1 724 . 1 1 67 67 THR HG23 H 1 0.689 0.020 . 1 . . . A 417 THR HG21 . 17399 1 725 . 1 1 67 67 THR C C 13 172.240 0.600 . 1 . . . A 417 THR C . 17399 1 726 . 1 1 67 67 THR CA C 13 59.380 0.600 . 1 . . . A 417 THR CA . 17399 1 727 . 1 1 67 67 THR CB C 13 70.200 0.600 . 1 . . . A 417 THR CB . 17399 1 728 . 1 1 67 67 THR CG2 C 13 20.860 0.600 . 1 . . . A 417 THR CG2 . 17399 1 729 . 1 1 67 67 THR N N 15 119.680 0.500 . 1 . . . A 417 THR N . 17399 1 730 . 1 1 68 68 HIS H H 1 7.780 0.020 . 1 . . . A 418 HIS H . 17399 1 731 . 1 1 68 68 HIS HA H 1 5.375 0.020 . 1 . . . A 418 HIS HA . 17399 1 732 . 1 1 68 68 HIS HB2 H 1 3.790 0.020 . 2 . . . A 418 HIS HB2 . 17399 1 733 . 1 1 68 68 HIS HB3 H 1 3.790 0.020 . 2 . . . A 418 HIS HB3 . 17399 1 734 . 1 1 68 68 HIS HD2 H 1 7.948 0.020 . 1 . . . A 418 HIS HD2 . 17399 1 735 . 1 1 68 68 HIS HE1 H 1 7.425 0.020 . 1 . . . A 418 HIS HE1 . 17399 1 736 . 1 1 68 68 HIS C C 13 173.339 0.600 . 1 . . . A 418 HIS C . 17399 1 737 . 1 1 68 68 HIS CA C 13 54.830 0.600 . 1 . . . A 418 HIS CA . 17399 1 738 . 1 1 68 68 HIS CB C 13 32.920 0.600 . 1 . . . A 418 HIS CB . 17399 1 739 . 1 1 68 68 HIS CD2 C 13 121.800 0.600 . 1 . . . A 418 HIS CD2 . 17399 1 740 . 1 1 68 68 HIS CE1 C 13 132.558 0.600 . 1 . . . A 418 HIS CE1 . 17399 1 741 . 1 1 68 68 HIS N N 15 115.300 0.500 . 1 . . . A 418 HIS N . 17399 1 742 . 1 1 69 69 LYS H H 1 7.750 0.020 . 1 . . . A 419 LYS H . 17399 1 743 . 1 1 69 69 LYS HA H 1 3.972 0.020 . 1 . . . A 419 LYS HA . 17399 1 744 . 1 1 69 69 LYS HB2 H 1 1.580 0.020 . 2 . . . A 419 LYS HB2 . 17399 1 745 . 1 1 69 69 LYS HB3 H 1 1.580 0.020 . 2 . . . A 419 LYS HB3 . 17399 1 746 . 1 1 69 69 LYS HG2 H 1 1.303 0.020 . 2 . . . A 419 LYS HG2 . 17399 1 747 . 1 1 69 69 LYS HG3 H 1 1.303 0.020 . 2 . . . A 419 LYS HG3 . 17399 1 748 . 1 1 69 69 LYS HD2 H 1 1.711 0.020 . 2 . . . A 419 LYS HD2 . 17399 1 749 . 1 1 69 69 LYS HD3 H 1 1.711 0.020 . 2 . . . A 419 LYS HD3 . 17399 1 750 . 1 1 69 69 LYS HE2 H 1 3.930 0.020 . 2 . . . A 419 LYS HE2 . 17399 1 751 . 1 1 69 69 LYS HE3 H 1 3.930 0.020 . 2 . . . A 419 LYS HE3 . 17399 1 752 . 1 1 69 69 LYS C C 13 173.301 0.600 . 1 . . . A 419 LYS C . 17399 1 753 . 1 1 69 69 LYS CA C 13 55.462 0.600 . 1 . . . A 419 LYS CA . 17399 1 754 . 1 1 69 69 LYS CB C 13 35.920 0.600 . 1 . . . A 419 LYS CB . 17399 1 755 . 1 1 69 69 LYS CG C 13 23.972 0.600 . 1 . . . A 419 LYS CG . 17399 1 756 . 1 1 69 69 LYS CD C 13 29.600 0.600 . 1 . . . A 419 LYS CD . 17399 1 757 . 1 1 69 69 LYS CE C 13 41.505 0.600 . 1 . . . A 419 LYS CE . 17399 1 758 . 1 1 69 69 LYS N N 15 116.660 0.500 . 1 . . . A 419 LYS N . 17399 1 759 . 1 1 70 70 PHE H H 1 8.820 0.020 . 1 . . . A 420 PHE H . 17399 1 760 . 1 1 70 70 PHE HA H 1 5.264 0.020 . 1 . . . A 420 PHE HA . 17399 1 761 . 1 1 70 70 PHE HB2 H 1 3.366 0.020 . 2 . . . A 420 PHE HB2 . 17399 1 762 . 1 1 70 70 PHE HB3 H 1 2.739 0.020 . 2 . . . A 420 PHE HB3 . 17399 1 763 . 1 1 70 70 PHE HD1 H 1 7.276 0.020 . 3 . . . A 420 PHE HD1 . 17399 1 764 . 1 1 70 70 PHE HD2 H 1 7.276 0.020 . 3 . . . A 420 PHE HD2 . 17399 1 765 . 1 1 70 70 PHE HE1 H 1 7.276 0.020 . 3 . . . A 420 PHE HE1 . 17399 1 766 . 1 1 70 70 PHE HE2 H 1 7.276 0.020 . 3 . . . A 420 PHE HE2 . 17399 1 767 . 1 1 70 70 PHE C C 13 175.756 0.600 . 1 . . . A 420 PHE C . 17399 1 768 . 1 1 70 70 PHE CA C 13 57.239 0.600 . 1 . . . A 420 PHE CA . 17399 1 769 . 1 1 70 70 PHE CB C 13 41.230 0.600 . 1 . . . A 420 PHE CB . 17399 1 770 . 1 1 70 70 PHE N N 15 120.680 0.500 . 1 . . . A 420 PHE N . 17399 1 771 . 1 1 71 71 VAL H H 1 8.720 0.020 . 1 . . . A 421 VAL H . 17399 1 772 . 1 1 71 71 VAL HA H 1 3.902 0.020 . 1 . . . A 421 VAL HA . 17399 1 773 . 1 1 71 71 VAL HB H 1 2.194 0.020 . 1 . . . A 421 VAL HB . 17399 1 774 . 1 1 71 71 VAL HG11 H 1 0.989 0.020 . 2 . . . A 421 VAL HG11 . 17399 1 775 . 1 1 71 71 VAL HG12 H 1 0.989 0.020 . 2 . . . A 421 VAL HG11 . 17399 1 776 . 1 1 71 71 VAL HG13 H 1 0.989 0.020 . 2 . . . A 421 VAL HG11 . 17399 1 777 . 1 1 71 71 VAL HG21 H 1 0.989 0.020 . 2 . . . A 421 VAL HG21 . 17399 1 778 . 1 1 71 71 VAL HG22 H 1 0.989 0.020 . 2 . . . A 421 VAL HG21 . 17399 1 779 . 1 1 71 71 VAL HG23 H 1 0.989 0.020 . 2 . . . A 421 VAL HG21 . 17399 1 780 . 1 1 71 71 VAL C C 13 174.401 0.600 . 1 . . . A 421 VAL C . 17399 1 781 . 1 1 71 71 VAL CA C 13 61.266 0.600 . 1 . . . A 421 VAL CA . 17399 1 782 . 1 1 71 71 VAL CB C 13 33.574 0.600 . 1 . . . A 421 VAL CB . 17399 1 783 . 1 1 71 71 VAL CG1 C 13 21.109 0.600 . 1 . . . A 421 VAL CG1 . 17399 1 784 . 1 1 71 71 VAL CG2 C 13 21.109 0.600 . 1 . . . A 421 VAL CG2 . 17399 1 785 . 1 1 71 71 VAL N N 15 124.820 0.500 . 1 . . . A 421 VAL N . 17399 1 786 . 1 1 72 72 THR H H 1 8.520 0.020 . 1 . . . A 422 THR H . 17399 1 787 . 1 1 72 72 THR HA H 1 4.263 0.020 . 1 . . . A 422 THR HA . 17399 1 788 . 1 1 72 72 THR HB H 1 3.856 0.020 . 1 . . . A 422 THR HB . 17399 1 789 . 1 1 72 72 THR HG21 H 1 1.145 0.020 . 1 . . . A 422 THR HG21 . 17399 1 790 . 1 1 72 72 THR HG22 H 1 1.145 0.020 . 1 . . . A 422 THR HG21 . 17399 1 791 . 1 1 72 72 THR HG23 H 1 1.145 0.020 . 1 . . . A 422 THR HG21 . 17399 1 792 . 1 1 72 72 THR C C 13 174.474 0.600 . 1 . . . A 422 THR C . 17399 1 793 . 1 1 72 72 THR CA C 13 62.296 0.600 . 1 . . . A 422 THR CA . 17399 1 794 . 1 1 72 72 THR CB C 13 69.260 0.600 . 1 . . . A 422 THR CB . 17399 1 795 . 1 1 72 72 THR CG2 C 13 22.320 0.600 . 1 . . . A 422 THR CG2 . 17399 1 796 . 1 1 72 72 THR N N 15 123.850 0.500 . 1 . . . A 422 THR N . 17399 1 797 . 1 1 73 73 LEU H H 1 8.340 0.020 . 1 . . . A 423 LEU H . 17399 1 798 . 1 1 73 73 LEU HA H 1 4.858 0.020 . 1 . . . A 423 LEU HA . 17399 1 799 . 1 1 73 73 LEU HB2 H 1 2.300 0.020 . 2 . . . A 423 LEU HB2 . 17399 1 800 . 1 1 73 73 LEU HB3 H 1 2.300 0.020 . 2 . . . A 423 LEU HB3 . 17399 1 801 . 1 1 73 73 LEU HG H 1 1.731 0.020 . 1 . . . A 423 LEU HG . 17399 1 802 . 1 1 73 73 LEU HD11 H 1 0.477 0.020 . 2 . . . A 423 LEU HD11 . 17399 1 803 . 1 1 73 73 LEU HD12 H 1 0.477 0.020 . 2 . . . A 423 LEU HD11 . 17399 1 804 . 1 1 73 73 LEU HD13 H 1 0.477 0.020 . 2 . . . A 423 LEU HD11 . 17399 1 805 . 1 1 73 73 LEU C C 13 177.740 0.600 . 1 . . . A 423 LEU C . 17399 1 806 . 1 1 73 73 LEU CA C 13 54.620 0.600 . 1 . . . A 423 LEU CA . 17399 1 807 . 1 1 73 73 LEU CB C 13 41.390 0.600 . 1 . . . A 423 LEU CB . 17399 1 808 . 1 1 73 73 LEU CG C 13 29.152 0.600 . 1 . . . A 423 LEU CG . 17399 1 809 . 1 1 73 73 LEU CD1 C 13 24.993 0.600 . 1 . . . A 423 LEU CD1 . 17399 1 810 . 1 1 73 73 LEU CD2 C 13 24.993 0.600 . 1 . . . A 423 LEU CD2 . 17399 1 811 . 1 1 73 73 LEU N N 15 127.320 0.500 . 1 . . . A 423 LEU N . 17399 1 812 . 1 1 74 74 HIS H H 1 8.130 0.020 . 1 . . . A 424 HIS H . 17399 1 813 . 1 1 74 74 HIS HA H 1 4.467 0.020 . 1 . . . A 424 HIS HA . 17399 1 814 . 1 1 74 74 HIS HB2 H 1 2.495 0.020 . 2 . . . A 424 HIS HB2 . 17399 1 815 . 1 1 74 74 HIS HB3 H 1 2.860 0.020 . 2 . . . A 424 HIS HB3 . 17399 1 816 . 1 1 74 74 HIS HE1 H 1 7.718 0.020 . 1 . . . A 424 HIS HE1 . 17399 1 817 . 1 1 74 74 HIS C C 13 175.638 0.600 . 1 . . . A 424 HIS C . 17399 1 818 . 1 1 74 74 HIS CA C 13 59.858 0.600 . 1 . . . A 424 HIS CA . 17399 1 819 . 1 1 74 74 HIS CB C 13 32.545 0.600 . 1 . . . A 424 HIS CB . 17399 1 820 . 1 1 74 74 HIS CE1 C 13 136.724 0.600 . 1 . . . A 424 HIS CE1 . 17399 1 821 . 1 1 74 74 HIS N N 15 122.650 0.500 . 1 . . . A 424 HIS N . 17399 1 822 . 1 1 75 75 LYS H H 1 7.434 0.020 . 1 . . . A 425 LYS H . 17399 1 823 . 1 1 75 75 LYS HA H 1 4.416 0.020 . 1 . . . A 425 LYS HA . 17399 1 824 . 1 1 75 75 LYS HB2 H 1 1.625 0.020 . 2 . . . A 425 LYS HB2 . 17399 1 825 . 1 1 75 75 LYS HB3 H 1 1.625 0.020 . 2 . . . A 425 LYS HB3 . 17399 1 826 . 1 1 75 75 LYS C C 13 173.790 0.600 . 1 . . . A 425 LYS C . 17399 1 827 . 1 1 75 75 LYS CA C 13 52.562 0.600 . 1 . . . A 425 LYS CA . 17399 1 828 . 1 1 75 75 LYS CB C 13 34.420 0.600 . 1 . . . A 425 LYS CB . 17399 1 829 . 1 1 75 75 LYS N N 15 116.990 0.500 . 1 . . . A 425 LYS N . 17399 1 830 . 1 1 76 76 PRO HA H 1 4.390 0.020 . 1 . . . A 426 PRO HA . 17399 1 831 . 1 1 76 76 PRO HB2 H 1 2.337 0.020 . 2 . . . A 426 PRO HB2 . 17399 1 832 . 1 1 76 76 PRO HB3 H 1 1.695 0.020 . 2 . . . A 426 PRO HB3 . 17399 1 833 . 1 1 76 76 PRO HG2 H 1 1.990 0.020 . 2 . . . A 426 PRO HG2 . 17399 1 834 . 1 1 76 76 PRO HG3 H 1 1.990 0.020 . 2 . . . A 426 PRO HG3 . 17399 1 835 . 1 1 76 76 PRO HD2 H 1 3.683 0.020 . 2 . . . A 426 PRO HD2 . 17399 1 836 . 1 1 76 76 PRO HD3 H 1 3.683 0.020 . 2 . . . A 426 PRO HD3 . 17399 1 837 . 1 1 76 76 PRO C C 13 175.500 0.600 . 1 . . . A 426 PRO C . 17399 1 838 . 1 1 76 76 PRO CA C 13 63.599 0.600 . 1 . . . A 426 PRO CA . 17399 1 839 . 1 1 76 76 PRO CB C 13 32.826 0.600 . 1 . . . A 426 PRO CB . 17399 1 840 . 1 1 76 76 PRO CG C 13 27.415 0.600 . 1 . . . A 426 PRO CG . 17399 1 841 . 1 1 76 76 PRO CD C 13 51.710 0.600 . 1 . . . A 426 PRO CD . 17399 1 842 . 1 1 77 77 LYS H H 1 8.440 0.020 . 1 . . . A 427 LYS H . 17399 1 843 . 1 1 77 77 LYS HA H 1 4.639 0.020 . 1 . . . A 427 LYS HA . 17399 1 844 . 1 1 77 77 LYS HB2 H 1 1.663 0.020 . 2 . . . A 427 LYS HB2 . 17399 1 845 . 1 1 77 77 LYS HB3 H 1 1.663 0.020 . 2 . . . A 427 LYS HB3 . 17399 1 846 . 1 1 77 77 LYS HG2 H 1 1.240 0.020 . 2 . . . A 427 LYS HG2 . 17399 1 847 . 1 1 77 77 LYS HG3 H 1 1.240 0.020 . 2 . . . A 427 LYS HG3 . 17399 1 848 . 1 1 77 77 LYS HD2 H 1 1.711 0.020 . 2 . . . A 427 LYS HD2 . 17399 1 849 . 1 1 77 77 LYS HD3 H 1 1.711 0.020 . 2 . . . A 427 LYS HD3 . 17399 1 850 . 1 1 77 77 LYS HE2 H 1 2.984 0.020 . 2 . . . A 427 LYS HE2 . 17399 1 851 . 1 1 77 77 LYS HE3 H 1 2.984 0.020 . 2 . . . A 427 LYS HE3 . 17399 1 852 . 1 1 77 77 LYS C C 13 176.379 0.600 . 1 . . . A 427 LYS C . 17399 1 853 . 1 1 77 77 LYS CA C 13 53.217 0.600 . 1 . . . A 427 LYS CA . 17399 1 854 . 1 1 77 77 LYS CB C 13 36.530 0.600 . 1 . . . A 427 LYS CB . 17399 1 855 . 1 1 77 77 LYS CG C 13 25.390 0.600 . 1 . . . A 427 LYS CG . 17399 1 856 . 1 1 77 77 LYS CD C 13 28.717 0.600 . 1 . . . A 427 LYS CD . 17399 1 857 . 1 1 77 77 LYS CE C 13 42.390 0.600 . 1 . . . A 427 LYS CE . 17399 1 858 . 1 1 77 77 LYS N N 15 120.610 0.500 . 1 . . . A 427 LYS N . 17399 1 859 . 1 1 78 78 GLN H H 1 8.930 0.020 . 1 . . . A 428 GLN H . 17399 1 860 . 1 1 78 78 GLN HA H 1 4.440 0.020 . 1 . . . A 428 GLN HA . 17399 1 861 . 1 1 78 78 GLN HB2 H 1 2.112 0.020 . 2 . . . A 428 GLN HB2 . 17399 1 862 . 1 1 78 78 GLN HB3 H 1 2.112 0.020 . 2 . . . A 428 GLN HB3 . 17399 1 863 . 1 1 78 78 GLN HG2 H 1 2.418 0.020 . 2 . . . A 428 GLN HG2 . 17399 1 864 . 1 1 78 78 GLN HG3 H 1 2.418 0.020 . 2 . . . A 428 GLN HG3 . 17399 1 865 . 1 1 78 78 GLN C C 13 176.342 0.600 . 1 . . . A 428 GLN C . 17399 1 866 . 1 1 78 78 GLN CA C 13 58.340 0.600 . 1 . . . A 428 GLN CA . 17399 1 867 . 1 1 78 78 GLN CB C 13 28.100 0.600 . 1 . . . A 428 GLN CB . 17399 1 868 . 1 1 78 78 GLN CG C 13 33.781 0.600 . 1 . . . A 428 GLN CG . 17399 1 869 . 1 1 78 78 GLN N N 15 123.630 0.500 . 1 . . . A 428 GLN N . 17399 1 870 . 1 1 79 79 GLY H H 1 8.800 0.020 . 1 . . . A 429 GLY H . 17399 1 871 . 1 1 79 79 GLY HA2 H 1 3.767 0.020 . 2 . . . A 429 GLY HA2 . 17399 1 872 . 1 1 79 79 GLY HA3 H 1 4.187 0.020 . 2 . . . A 429 GLY HA3 . 17399 1 873 . 1 1 79 79 GLY C C 13 174.584 0.600 . 1 . . . A 429 GLY C . 17399 1 874 . 1 1 79 79 GLY CA C 13 46.296 0.600 . 1 . . . A 429 GLY CA . 17399 1 875 . 1 1 79 79 GLY N N 15 111.180 0.500 . 1 . . . A 429 GLY N . 17399 1 876 . 1 1 80 80 ALA H H 1 7.820 0.020 . 1 . . . A 430 ALA H . 17399 1 877 . 1 1 80 80 ALA HA H 1 4.639 0.020 . 1 . . . A 430 ALA HA . 17399 1 878 . 1 1 80 80 ALA HB1 H 1 1.445 0.020 . 1 . . . A 430 ALA HB3 . 17399 1 879 . 1 1 80 80 ALA HB2 H 1 1.445 0.020 . 1 . . . A 430 ALA HB3 . 17399 1 880 . 1 1 80 80 ALA HB3 H 1 1.445 0.020 . 1 . . . A 430 ALA HB3 . 17399 1 881 . 1 1 80 80 ALA C C 13 174.108 0.600 . 1 . . . A 430 ALA C . 17399 1 882 . 1 1 80 80 ALA CA C 13 52.450 0.600 . 1 . . . A 430 ALA CA . 17399 1 883 . 1 1 80 80 ALA CB C 13 23.710 0.600 . 1 . . . A 430 ALA CB . 17399 1 884 . 1 1 80 80 ALA N N 15 117.850 0.500 . 1 . . . A 430 ALA N . 17399 1 885 . 1 1 81 81 ASP H H 1 8.620 0.020 . 1 . . . A 431 ASP H . 17399 1 886 . 1 1 81 81 ASP HA H 1 4.778 0.020 . 1 . . . A 431 ASP HA . 17399 1 887 . 1 1 81 81 ASP HB2 H 1 2.861 0.020 . 2 . . . A 431 ASP HB2 . 17399 1 888 . 1 1 81 81 ASP HB3 H 1 2.861 0.020 . 2 . . . A 431 ASP HB3 . 17399 1 889 . 1 1 81 81 ASP C C 13 175.207 0.600 . 1 . . . A 431 ASP C . 17399 1 890 . 1 1 81 81 ASP CA C 13 54.170 0.600 . 1 . . . A 431 ASP CA . 17399 1 891 . 1 1 81 81 ASP CB C 13 42.750 0.600 . 1 . . . A 431 ASP CB . 17399 1 892 . 1 1 81 81 ASP N N 15 119.320 0.500 . 1 . . . A 431 ASP N . 17399 1 893 . 1 1 82 82 THR H H 1 8.570 0.020 . 1 . . . A 432 THR H . 17399 1 894 . 1 1 82 82 THR HA H 1 5.277 0.020 . 1 . . . A 432 THR HA . 17399 1 895 . 1 1 82 82 THR HB H 1 4.476 0.020 . 1 . . . A 432 THR HB . 17399 1 896 . 1 1 82 82 THR HG21 H 1 0.995 0.020 . 1 . . . A 432 THR HG21 . 17399 1 897 . 1 1 82 82 THR HG22 H 1 0.995 0.020 . 1 . . . A 432 THR HG21 . 17399 1 898 . 1 1 82 82 THR HG23 H 1 0.995 0.020 . 1 . . . A 432 THR HG21 . 17399 1 899 . 1 1 82 82 THR C C 13 172.570 0.600 . 1 . . . A 432 THR C . 17399 1 900 . 1 1 82 82 THR CA C 13 62.160 0.600 . 1 . . . A 432 THR CA . 17399 1 901 . 1 1 82 82 THR CB C 13 74.970 0.600 . 1 . . . A 432 THR CB . 17399 1 902 . 1 1 82 82 THR CG2 C 13 21.917 0.600 . 1 . . . A 432 THR CG2 . 17399 1 903 . 1 1 82 82 THR N N 15 121.000 0.500 . 1 . . . A 432 THR N . 17399 1 904 . 1 1 83 83 TYR H H 1 8.410 0.020 . 1 . . . A 433 TYR H . 17399 1 905 . 1 1 83 83 TYR HA H 1 5.695 0.020 . 1 . . . A 433 TYR HA . 17399 1 906 . 1 1 83 83 TYR HB2 H 1 3.494 0.020 . 2 . . . A 433 TYR HB2 . 17399 1 907 . 1 1 83 83 TYR HB3 H 1 3.684 0.020 . 2 . . . A 433 TYR HB3 . 17399 1 908 . 1 1 83 83 TYR HD1 H 1 6.912 0.020 . 3 . . . A 433 TYR HD1 . 17399 1 909 . 1 1 83 83 TYR HD2 H 1 6.912 0.020 . 3 . . . A 433 TYR HD2 . 17399 1 910 . 1 1 83 83 TYR C C 13 174.254 0.600 . 1 . . . A 433 TYR C . 17399 1 911 . 1 1 83 83 TYR CA C 13 56.480 0.600 . 1 . . . A 433 TYR CA . 17399 1 912 . 1 1 83 83 TYR CB C 13 39.900 0.600 . 1 . . . A 433 TYR CB . 17399 1 913 . 1 1 83 83 TYR CD1 C 13 131.339 0.600 . 3 . . . A 433 TYR CD1 . 17399 1 914 . 1 1 83 83 TYR CD2 C 13 131.339 0.600 . 3 . . . A 433 TYR CD2 . 17399 1 915 . 1 1 83 83 TYR N N 15 114.990 0.500 . 1 . . . A 433 TYR N . 17399 1 916 . 1 1 84 84 LEU H H 1 9.140 0.020 . 1 . . . A 434 LEU H . 17399 1 917 . 1 1 84 84 LEU HA H 1 4.870 0.020 . 1 . . . A 434 LEU HA . 17399 1 918 . 1 1 84 84 LEU HB2 H 1 1.819 0.020 . 2 . . . A 434 LEU HB2 . 17399 1 919 . 1 1 84 84 LEU HB3 H 1 1.819 0.020 . 2 . . . A 434 LEU HB3 . 17399 1 920 . 1 1 84 84 LEU HG H 1 1.342 0.020 . 1 . . . A 434 LEU HG . 17399 1 921 . 1 1 84 84 LEU HD11 H 1 0.855 0.020 . 2 . . . A 434 LEU HD11 . 17399 1 922 . 1 1 84 84 LEU HD12 H 1 0.855 0.020 . 2 . . . A 434 LEU HD11 . 17399 1 923 . 1 1 84 84 LEU HD13 H 1 0.855 0.020 . 2 . . . A 434 LEU HD11 . 17399 1 924 . 1 1 84 84 LEU HD21 H 1 0.944 0.020 . 2 . . . A 434 LEU HD21 . 17399 1 925 . 1 1 84 84 LEU HD22 H 1 0.944 0.020 . 2 . . . A 434 LEU HD21 . 17399 1 926 . 1 1 84 84 LEU HD23 H 1 0.944 0.020 . 2 . . . A 434 LEU HD21 . 17399 1 927 . 1 1 84 84 LEU C C 13 174.767 0.600 . 1 . . . A 434 LEU C . 17399 1 928 . 1 1 84 84 LEU CA C 13 53.404 0.600 . 1 . . . A 434 LEU CA . 17399 1 929 . 1 1 84 84 LEU CB C 13 44.237 0.600 . 1 . . . A 434 LEU CB . 17399 1 930 . 1 1 84 84 LEU CG C 13 25.896 0.600 . 1 . . . A 434 LEU CG . 17399 1 931 . 1 1 84 84 LEU CD1 C 13 23.482 0.600 . 1 . . . A 434 LEU CD1 . 17399 1 932 . 1 1 84 84 LEU CD2 C 13 23.482 0.600 . 1 . . . A 434 LEU CD2 . 17399 1 933 . 1 1 84 84 LEU N N 15 122.470 0.500 . 1 . . . A 434 LEU N . 17399 1 934 . 1 1 85 85 GLU H H 1 9.420 0.020 . 1 . . . A 435 GLU H . 17399 1 935 . 1 1 85 85 GLU HA H 1 5.449 0.020 . 1 . . . A 435 GLU HA . 17399 1 936 . 1 1 85 85 GLU HB2 H 1 1.815 0.020 . 2 . . . A 435 GLU HB2 . 17399 1 937 . 1 1 85 85 GLU HB3 H 1 1.815 0.020 . 2 . . . A 435 GLU HB3 . 17399 1 938 . 1 1 85 85 GLU HG2 H 1 2.389 0.020 . 2 . . . A 435 GLU HG2 . 17399 1 939 . 1 1 85 85 GLU HG3 H 1 2.389 0.020 . 2 . . . A 435 GLU HG3 . 17399 1 940 . 1 1 85 85 GLU C C 13 174.767 0.600 . 1 . . . A 435 GLU C . 17399 1 941 . 1 1 85 85 GLU CA C 13 53.310 0.600 . 1 . . . A 435 GLU CA . 17399 1 942 . 1 1 85 85 GLU CB C 13 32.840 0.600 . 1 . . . A 435 GLU CB . 17399 1 943 . 1 1 85 85 GLU CG C 13 33.211 0.600 . 1 . . . A 435 GLU CG . 17399 1 944 . 1 1 85 85 GLU N N 15 128.790 0.500 . 1 . . . A 435 GLU N . 17399 1 945 . 1 1 86 86 LEU H H 1 9.490 0.020 . 1 . . . A 436 LEU H . 17399 1 946 . 1 1 86 86 LEU HA H 1 4.981 0.020 . 1 . . . A 436 LEU HA . 17399 1 947 . 1 1 86 86 LEU HB2 H 1 1.360 0.020 . 2 . . . A 436 LEU HB2 . 17399 1 948 . 1 1 86 86 LEU HB3 H 1 1.360 0.020 . 2 . . . A 436 LEU HB3 . 17399 1 949 . 1 1 86 86 LEU HD11 H 1 0.656 0.020 . 2 . . . A 436 LEU HD11 . 17399 1 950 . 1 1 86 86 LEU HD12 H 1 0.656 0.020 . 2 . . . A 436 LEU HD11 . 17399 1 951 . 1 1 86 86 LEU HD13 H 1 0.656 0.020 . 2 . . . A 436 LEU HD11 . 17399 1 952 . 1 1 86 86 LEU HD21 H 1 0.822 0.020 . 2 . . . A 436 LEU HD21 . 17399 1 953 . 1 1 86 86 LEU HD22 H 1 0.822 0.020 . 2 . . . A 436 LEU HD21 . 17399 1 954 . 1 1 86 86 LEU HD23 H 1 0.822 0.020 . 2 . . . A 436 LEU HD21 . 17399 1 955 . 1 1 86 86 LEU C C 13 175.230 0.600 . 1 . . . A 436 LEU C . 17399 1 956 . 1 1 86 86 LEU CA C 13 52.830 0.600 . 1 . . . A 436 LEU CA . 17399 1 957 . 1 1 86 86 LEU CB C 13 45.630 0.600 . 1 . . . A 436 LEU CB . 17399 1 958 . 1 1 86 86 LEU CG C 13 25.735 0.600 . 1 . . . A 436 LEU CG . 17399 1 959 . 1 1 86 86 LEU N N 15 130.830 0.500 . 1 . . . A 436 LEU N . 17399 1 960 . 1 1 87 87 GLY H H 1 7.680 0.020 . 1 . . . A 437 GLY H . 17399 1 961 . 1 1 87 87 GLY HA2 H 1 3.829 0.020 . 2 . . . A 437 GLY HA2 . 17399 1 962 . 1 1 87 87 GLY HA3 H 1 4.531 0.020 . 2 . . . A 437 GLY HA3 . 17399 1 963 . 1 1 87 87 GLY C C 13 171.654 0.600 . 1 . . . A 437 GLY C . 17399 1 964 . 1 1 87 87 GLY CA C 13 43.970 0.600 . 1 . . . A 437 GLY CA . 17399 1 965 . 1 1 87 87 GLY N N 15 111.700 0.500 . 1 . . . A 437 GLY N . 17399 1 966 . 1 1 88 88 PHE H H 1 8.840 0.020 . 1 . . . A 438 PHE H . 17399 1 967 . 1 1 88 88 PHE HA H 1 5.582 0.020 . 1 . . . A 438 PHE HA . 17399 1 968 . 1 1 88 88 PHE HB2 H 1 2.964 0.020 . 2 . . . A 438 PHE HB2 . 17399 1 969 . 1 1 88 88 PHE HB3 H 1 2.599 0.020 . 2 . . . A 438 PHE HB3 . 17399 1 970 . 1 1 88 88 PHE HD1 H 1 7.419 0.020 . 3 . . . A 438 PHE HD1 . 17399 1 971 . 1 1 88 88 PHE HD2 H 1 7.419 0.020 . 3 . . . A 438 PHE HD2 . 17399 1 972 . 1 1 88 88 PHE HE1 H 1 7.419 0.020 . 3 . . . A 438 PHE HE1 . 17399 1 973 . 1 1 88 88 PHE HE2 H 1 7.419 0.020 . 3 . . . A 438 PHE HE2 . 17399 1 974 . 1 1 88 88 PHE C C 13 176.891 0.600 . 1 . . . A 438 PHE C . 17399 1 975 . 1 1 88 88 PHE CA C 13 56.200 0.600 . 1 . . . A 438 PHE CA . 17399 1 976 . 1 1 88 88 PHE CB C 13 42.770 0.600 . 1 . . . A 438 PHE CB . 17399 1 977 . 1 1 88 88 PHE CD1 C 13 132.354 0.600 . 3 . . . A 438 PHE CD1 . 17399 1 978 . 1 1 88 88 PHE CD2 C 13 132.354 0.600 . 3 . . . A 438 PHE CD2 . 17399 1 979 . 1 1 88 88 PHE N N 15 114.350 0.500 . 1 . . . A 438 PHE N . 17399 1 980 . 1 1 89 89 LYS H H 1 8.920 0.020 . 1 . . . A 439 LYS H . 17399 1 981 . 1 1 89 89 LYS HA H 1 4.137 0.020 . 1 . . . A 439 LYS HA . 17399 1 982 . 1 1 89 89 LYS HB2 H 1 1.930 0.020 . 2 . . . A 439 LYS HB2 . 17399 1 983 . 1 1 89 89 LYS HB3 H 1 1.758 0.020 . 2 . . . A 439 LYS HB3 . 17399 1 984 . 1 1 89 89 LYS HG2 H 1 1.305 0.020 . 2 . . . A 439 LYS HG2 . 17399 1 985 . 1 1 89 89 LYS HG3 H 1 1.305 0.020 . 2 . . . A 439 LYS HG3 . 17399 1 986 . 1 1 89 89 LYS HD2 H 1 1.725 0.020 . 2 . . . A 439 LYS HD2 . 17399 1 987 . 1 1 89 89 LYS HD3 H 1 1.725 0.020 . 2 . . . A 439 LYS HD3 . 17399 1 988 . 1 1 89 89 LYS HE2 H 1 2.997 0.020 . 2 . . . A 439 LYS HE2 . 17399 1 989 . 1 1 89 89 LYS HE3 H 1 2.997 0.020 . 2 . . . A 439 LYS HE3 . 17399 1 990 . 1 1 89 89 LYS C C 13 176.146 0.600 . 1 . . . A 439 LYS C . 17399 1 991 . 1 1 89 89 LYS CA C 13 57.940 0.600 . 1 . . . A 439 LYS CA . 17399 1 992 . 1 1 89 89 LYS CB C 13 34.620 0.600 . 1 . . . A 439 LYS CB . 17399 1 993 . 1 1 89 89 LYS CG C 13 26.548 0.600 . 1 . . . A 439 LYS CG . 17399 1 994 . 1 1 89 89 LYS CD C 13 29.461 0.600 . 1 . . . A 439 LYS CD . 17399 1 995 . 1 1 89 89 LYS CE C 13 42.650 0.600 . 1 . . . A 439 LYS CE . 17399 1 996 . 1 1 89 89 LYS N N 15 119.480 0.500 . 1 . . . A 439 LYS N . 17399 1 997 . 1 1 90 90 ASN H H 1 7.740 0.020 . 1 . . . A 440 ASN H . 17399 1 998 . 1 1 90 90 ASN HA H 1 4.603 0.020 . 1 . . . A 440 ASN HA . 17399 1 999 . 1 1 90 90 ASN HB2 H 1 2.888 0.020 . 2 . . . A 440 ASN HB2 . 17399 1 1000 . 1 1 90 90 ASN HB3 H 1 2.672 0.020 . 2 . . . A 440 ASN HB3 . 17399 1 1001 . 1 1 90 90 ASN C C 13 173.340 0.600 . 1 . . . A 440 ASN C . 17399 1 1002 . 1 1 90 90 ASN CA C 13 52.100 0.600 . 1 . . . A 440 ASN CA . 17399 1 1003 . 1 1 90 90 ASN CB C 13 41.160 0.600 . 1 . . . A 440 ASN CB . 17399 1 1004 . 1 1 90 90 ASN N N 15 111.670 0.500 . 1 . . . A 440 ASN N . 17399 1 1005 . 1 1 91 91 GLY H H 1 8.180 0.020 . 1 . . . A 441 GLY H . 17399 1 1006 . 1 1 91 91 GLY HA2 H 1 4.524 0.020 . 2 . . . A 441 GLY HA2 . 17399 1 1007 . 1 1 91 91 GLY HA3 H 1 4.103 0.020 . 2 . . . A 441 GLY HA3 . 17399 1 1008 . 1 1 91 91 GLY C C 13 173.583 0.600 . 1 . . . A 441 GLY C . 17399 1 1009 . 1 1 91 91 GLY CA C 13 44.437 0.600 . 1 . . . A 441 GLY CA . 17399 1 1010 . 1 1 91 91 GLY N N 15 104.820 0.500 . 1 . . . A 441 GLY N . 17399 1 1011 . 1 1 92 92 THR H H 1 8.200 0.020 . 1 . . . A 442 THR H . 17399 1 1012 . 1 1 92 92 THR HA H 1 5.143 0.020 . 1 . . . A 442 THR HA . 17399 1 1013 . 1 1 92 92 THR HB H 1 3.879 0.020 . 1 . . . A 442 THR HB . 17399 1 1014 . 1 1 92 92 THR HG21 H 1 1.170 0.020 . 1 . . . A 442 THR HG21 . 17399 1 1015 . 1 1 92 92 THR HG22 H 1 1.170 0.020 . 1 . . . A 442 THR HG21 . 17399 1 1016 . 1 1 92 92 THR HG23 H 1 1.170 0.020 . 1 . . . A 442 THR HG21 . 17399 1 1017 . 1 1 92 92 THR C C 13 173.436 0.600 . 1 . . . A 442 THR C . 17399 1 1018 . 1 1 92 92 THR CA C 13 59.620 0.600 . 1 . . . A 442 THR CA . 17399 1 1019 . 1 1 92 92 THR CB C 13 72.750 0.600 . 1 . . . A 442 THR CB . 17399 1 1020 . 1 1 92 92 THR CG2 C 13 21.218 0.600 . 1 . . . A 442 THR CG2 . 17399 1 1021 . 1 1 92 92 THR N N 15 112.000 0.500 . 1 . . . A 442 THR N . 17399 1 1022 . 1 1 93 93 LEU H H 1 8.910 0.020 . 1 . . . A 443 LEU H . 17399 1 1023 . 1 1 93 93 LEU HA H 1 4.893 0.020 . 1 . . . A 443 LEU HA . 17399 1 1024 . 1 1 93 93 LEU HB2 H 1 1.641 0.020 . 2 . . . A 443 LEU HB2 . 17399 1 1025 . 1 1 93 93 LEU HB3 H 1 1.641 0.020 . 2 . . . A 443 LEU HB3 . 17399 1 1026 . 1 1 93 93 LEU HG H 1 1.309 0.020 . 1 . . . A 443 LEU HG . 17399 1 1027 . 1 1 93 93 LEU HD11 H 1 0.468 0.020 . 2 . . . A 443 LEU HD11 . 17399 1 1028 . 1 1 93 93 LEU HD12 H 1 0.468 0.020 . 2 . . . A 443 LEU HD11 . 17399 1 1029 . 1 1 93 93 LEU HD13 H 1 0.468 0.020 . 2 . . . A 443 LEU HD11 . 17399 1 1030 . 1 1 93 93 LEU HD21 H 1 0.800 0.020 . 2 . . . A 443 LEU HD21 . 17399 1 1031 . 1 1 93 93 LEU HD22 H 1 0.800 0.020 . 2 . . . A 443 LEU HD21 . 17399 1 1032 . 1 1 93 93 LEU HD23 H 1 0.800 0.020 . 2 . . . A 443 LEU HD21 . 17399 1 1033 . 1 1 93 93 LEU C C 13 175.670 0.600 . 1 . . . A 443 LEU C . 17399 1 1034 . 1 1 93 93 LEU CA C 13 52.520 0.600 . 1 . . . A 443 LEU CA . 17399 1 1035 . 1 1 93 93 LEU CB C 13 44.870 0.600 . 1 . . . A 443 LEU CB . 17399 1 1036 . 1 1 93 93 LEU CG C 13 26.155 0.600 . 1 . . . A 443 LEU CG . 17399 1 1037 . 1 1 93 93 LEU CD1 C 13 23.980 0.600 . 1 . . . A 443 LEU CD1 . 17399 1 1038 . 1 1 93 93 LEU N N 15 120.160 0.500 . 1 . . . A 443 LEU N . 17399 1 1039 . 1 1 94 94 ALA H H 1 8.750 0.020 . 1 . . . A 444 ALA H . 17399 1 1040 . 1 1 94 94 ALA HA H 1 4.470 0.020 . 1 . . . A 444 ALA HA . 17399 1 1041 . 1 1 94 94 ALA HB3 H 1 1.285 0.020 . 1 . . . A 444 ALA HB3 . 17399 1 1042 . 1 1 94 94 ALA HB2 H 1 1.285 0.020 . 1 . . . A 444 ALA HB3 . 17399 1 1043 . 1 1 94 94 ALA HB1 H 1 1.285 0.020 . 1 . . . A 444 ALA HB3 . 17399 1 1044 . 1 1 94 94 ALA CA C 13 51.390 0.600 . 1 . . . A 444 ALA CA . 17399 1 1045 . 1 1 94 94 ALA CB C 13 16.690 0.600 . 1 . . . A 444 ALA CB . 17399 1 1046 . 1 1 94 94 ALA N N 15 131.460 0.500 . 1 . . . A 444 ALA N . 17399 1 1047 . 1 1 95 95 PRO HA H 1 4.440 0.020 . 1 . . . A 445 PRO HA . 17399 1 1048 . 1 1 95 95 PRO HB2 H 1 2.260 0.020 . 2 . . . A 445 PRO HB2 . 17399 1 1049 . 1 1 95 95 PRO HB3 H 1 2.209 0.020 . 2 . . . A 445 PRO HB3 . 17399 1 1050 . 1 1 95 95 PRO HG2 H 1 1.900 0.020 . 2 . . . A 445 PRO HG2 . 17399 1 1051 . 1 1 95 95 PRO HG3 H 1 1.900 0.020 . 2 . . . A 445 PRO HG3 . 17399 1 1052 . 1 1 95 95 PRO HD2 H 1 3.727 0.020 . 2 . . . A 445 PRO HD2 . 17399 1 1053 . 1 1 95 95 PRO HD3 H 1 3.727 0.020 . 2 . . . A 445 PRO HD3 . 17399 1 1054 . 1 1 95 95 PRO C C 13 177.721 0.600 . 1 . . . A 445 PRO C . 17399 1 1055 . 1 1 95 95 PRO CA C 13 65.190 0.600 . 1 . . . A 445 PRO CA . 17399 1 1056 . 1 1 95 95 PRO CB C 13 31.797 0.600 . 1 . . . A 445 PRO CB . 17399 1 1057 . 1 1 95 95 PRO CG C 13 24.200 0.600 . 1 . . . A 445 PRO CG . 17399 1 1058 . 1 1 95 95 PRO CD C 13 49.361 0.600 . 1 . . . A 445 PRO CD . 17399 1 1059 . 1 1 96 96 GLY H H 1 7.930 0.020 . 1 . . . A 446 GLY H . 17399 1 1060 . 1 1 96 96 GLY HA2 H 1 4.141 0.020 . 2 . . . A 446 GLY HA2 . 17399 1 1061 . 1 1 96 96 GLY HA3 H 1 3.751 0.020 . 2 . . . A 446 GLY HA3 . 17399 1 1062 . 1 1 96 96 GLY C C 13 173.656 0.600 . 1 . . . A 446 GLY C . 17399 1 1063 . 1 1 96 96 GLY CA C 13 46.108 0.600 . 1 . . . A 446 GLY CA . 17399 1 1064 . 1 1 96 96 GLY N N 15 115.130 0.500 . 1 . . . A 446 GLY N . 17399 1 1065 . 1 1 97 97 ALA H H 1 8.270 0.020 . 1 . . . A 447 ALA H . 17399 1 1066 . 1 1 97 97 ALA HA H 1 4.447 0.020 . 1 . . . A 447 ALA HA . 17399 1 1067 . 1 1 97 97 ALA HB1 H 1 1.487 0.020 . 1 . . . A 447 ALA HB3 . 17399 1 1068 . 1 1 97 97 ALA HB2 H 1 1.487 0.020 . 1 . . . A 447 ALA HB3 . 17399 1 1069 . 1 1 97 97 ALA HB3 H 1 1.487 0.020 . 1 . . . A 447 ALA HB3 . 17399 1 1070 . 1 1 97 97 ALA C C 13 175.377 0.600 . 1 . . . A 447 ALA C . 17399 1 1071 . 1 1 97 97 ALA CA C 13 51.533 0.600 . 1 . . . A 447 ALA CA . 17399 1 1072 . 1 1 97 97 ALA CB C 13 21.980 0.600 . 1 . . . A 447 ALA CB . 17399 1 1073 . 1 1 97 97 ALA N N 15 123.380 0.500 . 1 . . . A 447 ALA N . 17399 1 1074 . 1 1 98 98 SER H H 1 8.330 0.020 . 1 . . . A 448 SER H . 17399 1 1075 . 1 1 98 98 SER HA H 1 5.612 0.020 . 1 . . . A 448 SER HA . 17399 1 1076 . 1 1 98 98 SER HB2 H 1 3.682 0.020 . 2 . . . A 448 SER HB2 . 17399 1 1077 . 1 1 98 98 SER HB3 H 1 3.485 0.020 . 2 . . . A 448 SER HB3 . 17399 1 1078 . 1 1 98 98 SER C C 13 176.403 0.600 . 1 . . . A 448 SER C . 17399 1 1079 . 1 1 98 98 SER CA C 13 54.590 0.600 . 1 . . . A 448 SER CA . 17399 1 1080 . 1 1 98 98 SER CB C 13 65.840 0.600 . 1 . . . A 448 SER CB . 17399 1 1081 . 1 1 98 98 SER N N 15 111.340 0.500 . 1 . . . A 448 SER N . 17399 1 1082 . 1 1 99 99 THR H H 1 9.100 0.020 . 1 . . . A 449 THR H . 17399 1 1083 . 1 1 99 99 THR HA H 1 3.881 0.020 . 1 . . . A 449 THR HA . 17399 1 1084 . 1 1 99 99 THR HB H 1 3.880 0.020 . 1 . . . A 449 THR HB . 17399 1 1085 . 1 1 99 99 THR HG21 H 1 1.182 0.020 . 1 . . . A 449 THR HG21 . 17399 1 1086 . 1 1 99 99 THR HG22 H 1 1.182 0.020 . 1 . . . A 449 THR HG21 . 17399 1 1087 . 1 1 99 99 THR HG23 H 1 1.182 0.020 . 1 . . . A 449 THR HG21 . 17399 1 1088 . 1 1 99 99 THR C C 13 177.978 0.600 . 1 . . . A 449 THR C . 17399 1 1089 . 1 1 99 99 THR CA C 13 64.800 0.600 . 1 . . . A 449 THR CA . 17399 1 1090 . 1 1 99 99 THR CB C 13 70.970 0.600 . 1 . . . A 449 THR CB . 17399 1 1091 . 1 1 99 99 THR CG2 C 13 22.168 0.600 . 1 . . . A 449 THR CG2 . 17399 1 1092 . 1 1 99 99 THR N N 15 114.640 0.500 . 1 . . . A 449 THR N . 17399 1 1093 . 1 1 100 100 GLY H H 1 8.320 0.020 . 1 . . . A 450 GLY H . 17399 1 1094 . 1 1 100 100 GLY HA2 H 1 3.596 0.020 . 2 . . . A 450 GLY HA2 . 17399 1 1095 . 1 1 100 100 GLY HA3 H 1 3.964 0.020 . 2 . . . A 450 GLY HA3 . 17399 1 1096 . 1 1 100 100 GLY C C 13 173.876 0.600 . 1 . . . A 450 GLY C . 17399 1 1097 . 1 1 100 100 GLY CA C 13 44.832 0.600 . 1 . . . A 450 GLY CA . 17399 1 1098 . 1 1 100 100 GLY N N 15 108.980 0.500 . 1 . . . A 450 GLY N . 17399 1 1099 . 1 1 101 101 ASN H H 1 8.970 0.020 . 1 . . . A 451 ASN H . 17399 1 1100 . 1 1 101 101 ASN HA H 1 4.441 0.020 . 1 . . . A 451 ASN HA . 17399 1 1101 . 1 1 101 101 ASN HB2 H 1 2.812 0.020 . 2 . . . A 451 ASN HB2 . 17399 1 1102 . 1 1 101 101 ASN HB3 H 1 3.124 0.020 . 2 . . . A 451 ASN HB3 . 17399 1 1103 . 1 1 101 101 ASN C C 13 176.549 0.600 . 1 . . . A 451 ASN C . 17399 1 1104 . 1 1 101 101 ASN CA C 13 55.560 0.600 . 1 . . . A 451 ASN CA . 17399 1 1105 . 1 1 101 101 ASN CB C 13 38.970 0.600 . 1 . . . A 451 ASN CB . 17399 1 1106 . 1 1 101 101 ASN N N 15 118.480 0.500 . 1 . . . A 451 ASN N . 17399 1 1107 . 1 1 102 102 ILE H H 1 9.170 0.020 . 1 . . . A 452 ILE H . 17399 1 1108 . 1 1 102 102 ILE HA H 1 4.407 0.020 . 1 . . . A 452 ILE HA . 17399 1 1109 . 1 1 102 102 ILE HB H 1 2.850 0.020 . 1 . . . A 452 ILE HB . 17399 1 1110 . 1 1 102 102 ILE HG21 H 1 0.928 0.020 . 1 . . . A 452 ILE HG21 . 17399 1 1111 . 1 1 102 102 ILE HG22 H 1 0.928 0.020 . 1 . . . A 452 ILE HG21 . 17399 1 1112 . 1 1 102 102 ILE HG23 H 1 0.928 0.020 . 1 . . . A 452 ILE HG21 . 17399 1 1113 . 1 1 102 102 ILE HD11 H 1 0.857 0.020 . 1 . . . A 452 ILE HD11 . 17399 1 1114 . 1 1 102 102 ILE HD12 H 1 0.857 0.020 . 1 . . . A 452 ILE HD11 . 17399 1 1115 . 1 1 102 102 ILE HD13 H 1 0.857 0.020 . 1 . . . A 452 ILE HD11 . 17399 1 1116 . 1 1 102 102 ILE C C 13 174.938 0.600 . 1 . . . A 452 ILE C . 17399 1 1117 . 1 1 102 102 ILE CA C 13 62.851 0.600 . 1 . . . A 452 ILE CA . 17399 1 1118 . 1 1 102 102 ILE CB C 13 39.841 0.600 . 1 . . . A 452 ILE CB . 17399 1 1119 . 1 1 102 102 ILE CG1 C 13 27.484 0.600 . 1 . . . A 452 ILE CG1 . 17399 1 1120 . 1 1 102 102 ILE CG2 C 13 16.667 0.600 . 1 . . . A 452 ILE CG2 . 17399 1 1121 . 1 1 102 102 ILE CD1 C 13 13.427 0.600 . 1 . . . A 452 ILE CD1 . 17399 1 1122 . 1 1 102 102 ILE N N 15 124.500 0.500 . 1 . . . A 452 ILE N . 17399 1 1123 . 1 1 103 103 GLN H H 1 9.590 0.020 . 1 . . . A 453 GLN H . 17399 1 1124 . 1 1 103 103 GLN HA H 1 4.951 0.020 . 1 . . . A 453 GLN HA . 17399 1 1125 . 1 1 103 103 GLN HB2 H 1 1.933 0.020 . 2 . . . A 453 GLN HB2 . 17399 1 1126 . 1 1 103 103 GLN HB3 H 1 1.933 0.020 . 2 . . . A 453 GLN HB3 . 17399 1 1127 . 1 1 103 103 GLN HG2 H 1 2.281 0.020 . 2 . . . A 453 GLN HG2 . 17399 1 1128 . 1 1 103 103 GLN HG3 H 1 2.379 0.020 . 2 . . . A 453 GLN HG3 . 17399 1 1129 . 1 1 103 103 GLN C C 13 173.620 0.600 . 1 . . . A 453 GLN C . 17399 1 1130 . 1 1 103 103 GLN CA C 13 55.650 0.600 . 1 . . . A 453 GLN CA . 17399 1 1131 . 1 1 103 103 GLN CB C 13 29.560 0.600 . 1 . . . A 453 GLN CB . 17399 1 1132 . 1 1 103 103 GLN CG C 13 34.585 0.600 . 1 . . . A 453 GLN CG . 17399 1 1133 . 1 1 103 103 GLN N N 15 124.980 0.500 . 1 . . . A 453 GLN N . 17399 1 1134 . 1 1 104 104 LEU H H 1 8.120 0.020 . 1 . . . A 454 LEU H . 17399 1 1135 . 1 1 104 104 LEU HA H 1 4.899 0.020 . 1 . . . A 454 LEU HA . 17399 1 1136 . 1 1 104 104 LEU HB2 H 1 1.300 0.020 . 2 . . . A 454 LEU HB2 . 17399 1 1137 . 1 1 104 104 LEU HB3 H 1 1.630 0.020 . 2 . . . A 454 LEU HB3 . 17399 1 1138 . 1 1 104 104 LEU HG H 1 0.865 0.020 . 1 . . . A 454 LEU HG . 17399 1 1139 . 1 1 104 104 LEU HD11 H 1 0.865 0.020 . 2 . . . A 454 LEU HD11 . 17399 1 1140 . 1 1 104 104 LEU HD12 H 1 0.865 0.020 . 2 . . . A 454 LEU HD11 . 17399 1 1141 . 1 1 104 104 LEU HD13 H 1 0.865 0.020 . 2 . . . A 454 LEU HD11 . 17399 1 1142 . 1 1 104 104 LEU HD21 H 1 0.865 0.020 . 2 . . . A 454 LEU HD21 . 17399 1 1143 . 1 1 104 104 LEU HD22 H 1 0.865 0.020 . 2 . . . A 454 LEU HD21 . 17399 1 1144 . 1 1 104 104 LEU HD23 H 1 0.865 0.020 . 2 . . . A 454 LEU HD21 . 17399 1 1145 . 1 1 104 104 LEU C C 13 175.304 0.600 . 1 . . . A 454 LEU C . 17399 1 1146 . 1 1 104 104 LEU CA C 13 52.630 0.600 . 1 . . . A 454 LEU CA . 17399 1 1147 . 1 1 104 104 LEU CB C 13 44.530 0.600 . 1 . . . A 454 LEU CB . 17399 1 1148 . 1 1 104 104 LEU CG C 13 26.980 0.600 . 1 . . . A 454 LEU CG . 17399 1 1149 . 1 1 104 104 LEU CD1 C 13 24.200 0.600 . 1 . . . A 454 LEU CD1 . 17399 1 1150 . 1 1 104 104 LEU CD2 C 13 24.200 0.600 . 1 . . . A 454 LEU CD2 . 17399 1 1151 . 1 1 104 104 LEU N N 15 123.980 0.500 . 1 . . . A 454 LEU N . 17399 1 1152 . 1 1 105 105 ARG H H 1 8.240 0.020 . 1 . . . A 455 ARG H . 17399 1 1153 . 1 1 105 105 ARG HA H 1 5.343 0.020 . 1 . . . A 455 ARG HA . 17399 1 1154 . 1 1 105 105 ARG HB2 H 1 1.604 0.020 . 2 . . . A 455 ARG HB2 . 17399 1 1155 . 1 1 105 105 ARG HB3 H 1 1.604 0.020 . 2 . . . A 455 ARG HB3 . 17399 1 1156 . 1 1 105 105 ARG HG2 H 1 1.316 0.020 . 2 . . . A 455 ARG HG2 . 17399 1 1157 . 1 1 105 105 ARG HG3 H 1 1.316 0.020 . 2 . . . A 455 ARG HG3 . 17399 1 1158 . 1 1 105 105 ARG HD2 H 1 2.943 0.020 . 2 . . . A 455 ARG HD2 . 17399 1 1159 . 1 1 105 105 ARG HD3 H 1 2.943 0.020 . 2 . . . A 455 ARG HD3 . 17399 1 1160 . 1 1 105 105 ARG C C 13 174.572 0.600 . 1 . . . A 455 ARG C . 17399 1 1161 . 1 1 105 105 ARG CA C 13 55.370 0.600 . 1 . . . A 455 ARG CA . 17399 1 1162 . 1 1 105 105 ARG CB C 13 34.450 0.600 . 1 . . . A 455 ARG CB . 17399 1 1163 . 1 1 105 105 ARG CG C 13 28.390 0.600 . 1 . . . A 455 ARG CG . 17399 1 1164 . 1 1 105 105 ARG CD C 13 42.516 0.600 . 1 . . . A 455 ARG CD . 17399 1 1165 . 1 1 105 105 ARG N N 15 118.120 0.500 . 1 . . . A 455 ARG N . 17399 1 1166 . 1 1 106 106 LEU H H 1 9.400 0.020 . 1 . . . A 456 LEU H . 17399 1 1167 . 1 1 106 106 LEU HA H 1 5.786 0.020 . 1 . . . A 456 LEU HA . 17399 1 1168 . 1 1 106 106 LEU HB2 H 1 1.574 0.020 . 2 . . . A 456 LEU HB2 . 17399 1 1169 . 1 1 106 106 LEU HB3 H 1 1.571 0.020 . 2 . . . A 456 LEU HB3 . 17399 1 1170 . 1 1 106 106 LEU HG H 1 1.341 0.020 . 1 . . . A 456 LEU HG . 17399 1 1171 . 1 1 106 106 LEU HD11 H 1 0.590 0.020 . 2 . . . A 456 LEU HD11 . 17399 1 1172 . 1 1 106 106 LEU HD12 H 1 0.590 0.020 . 2 . . . A 456 LEU HD11 . 17399 1 1173 . 1 1 106 106 LEU HD13 H 1 0.590 0.020 . 2 . . . A 456 LEU HD11 . 17399 1 1174 . 1 1 106 106 LEU HD21 H 1 0.868 0.020 . 2 . . . A 456 LEU HD21 . 17399 1 1175 . 1 1 106 106 LEU HD22 H 1 0.868 0.020 . 2 . . . A 456 LEU HD21 . 17399 1 1176 . 1 1 106 106 LEU HD23 H 1 0.868 0.020 . 2 . . . A 456 LEU HD21 . 17399 1 1177 . 1 1 106 106 LEU C C 13 176.806 0.600 . 1 . . . A 456 LEU C . 17399 1 1178 . 1 1 106 106 LEU CA C 13 52.330 0.600 . 1 . . . A 456 LEU CA . 17399 1 1179 . 1 1 106 106 LEU CB C 13 43.450 0.600 . 1 . . . A 456 LEU CB . 17399 1 1180 . 1 1 106 106 LEU CG C 13 27.920 0.600 . 1 . . . A 456 LEU CG . 17399 1 1181 . 1 1 106 106 LEU CD1 C 13 24.504 0.600 . 1 . . . A 456 LEU CD1 . 17399 1 1182 . 1 1 106 106 LEU N N 15 125.290 0.500 . 1 . . . A 456 LEU N . 17399 1 1183 . 1 1 107 107 HIS H H 1 8.100 0.020 . 1 . . . A 457 HIS H . 17399 1 1184 . 1 1 107 107 HIS HA H 1 5.445 0.020 . 1 . . . A 457 HIS HA . 17399 1 1185 . 1 1 107 107 HIS HB2 H 1 2.600 0.020 . 2 . . . A 457 HIS HB2 . 17399 1 1186 . 1 1 107 107 HIS HB3 H 1 2.600 0.020 . 2 . . . A 457 HIS HB3 . 17399 1 1187 . 1 1 107 107 HIS HD2 H 1 7.550 0.020 . 1 . . . A 457 HIS HD2 . 17399 1 1188 . 1 1 107 107 HIS HE1 H 1 7.422 0.020 . 1 . . . A 457 HIS HE1 . 17399 1 1189 . 1 1 107 107 HIS C C 13 174.205 0.600 . 1 . . . A 457 HIS C . 17399 1 1190 . 1 1 107 107 HIS CA C 13 55.310 0.600 . 1 . . . A 457 HIS CA . 17399 1 1191 . 1 1 107 107 HIS CB C 13 31.790 0.600 . 1 . . . A 457 HIS CB . 17399 1 1192 . 1 1 107 107 HIS CD2 C 13 127.255 0.600 . 1 . . . A 457 HIS CD2 . 17399 1 1193 . 1 1 107 107 HIS CE1 C 13 132.661 0.600 . 1 . . . A 457 HIS CE1 . 17399 1 1194 . 1 1 107 107 HIS N N 15 113.000 0.500 . 1 . . . A 457 HIS N . 17399 1 1195 . 1 1 108 108 ASN H H 1 9.590 0.020 . 1 . . . A 458 ASN H . 17399 1 1196 . 1 1 108 108 ASN HA H 1 5.290 0.020 . 1 . . . A 458 ASN HA . 17399 1 1197 . 1 1 108 108 ASN HB2 H 1 3.700 0.020 . 2 . . . A 458 ASN HB2 . 17399 1 1198 . 1 1 108 108 ASN HB3 H 1 2.787 0.020 . 2 . . . A 458 ASN HB3 . 17399 1 1199 . 1 1 108 108 ASN C C 13 179.490 0.600 . 1 . . . A 458 ASN C . 17399 1 1200 . 1 1 108 108 ASN CA C 13 52.656 0.600 . 1 . . . A 458 ASN CA . 17399 1 1201 . 1 1 108 108 ASN CB C 13 41.290 0.600 . 1 . . . A 458 ASN CB . 17399 1 1202 . 1 1 108 108 ASN N N 15 120.170 0.500 . 1 . . . A 458 ASN N . 17399 1 1203 . 1 1 109 109 ASP H H 1 8.522 0.020 . 1 . . . A 459 ASP H . 17399 1 1204 . 1 1 109 109 ASP HA H 1 4.429 0.020 . 1 . . . A 459 ASP HA . 17399 1 1205 . 1 1 109 109 ASP HB2 H 1 2.700 0.020 . 2 . . . A 459 ASP HB2 . 17399 1 1206 . 1 1 109 109 ASP HB3 H 1 2.550 0.020 . 2 . . . A 459 ASP HB3 . 17399 1 1207 . 1 1 109 109 ASP C C 13 175.890 0.600 . 1 . . . A 459 ASP C . 17399 1 1208 . 1 1 109 109 ASP CA C 13 57.145 0.600 . 1 . . . A 459 ASP CA . 17399 1 1209 . 1 1 109 109 ASP CB C 13 40.960 0.600 . 1 . . . A 459 ASP CB . 17399 1 1210 . 1 1 109 109 ASP N N 15 122.233 0.500 . 1 . . . A 459 ASP N . 17399 1 1211 . 1 1 110 110 ASP H H 1 7.550 0.020 . 1 . . . A 460 ASP H . 17399 1 1212 . 1 1 110 110 ASP HA H 1 4.616 0.020 . 1 . . . A 460 ASP HA . 17399 1 1213 . 1 1 110 110 ASP HB2 H 1 2.666 0.020 . 2 . . . A 460 ASP HB2 . 17399 1 1214 . 1 1 110 110 ASP HB3 H 1 2.469 0.020 . 2 . . . A 460 ASP HB3 . 17399 1 1215 . 1 1 110 110 ASP C C 13 176.623 0.600 . 1 . . . A 460 ASP C . 17399 1 1216 . 1 1 110 110 ASP CA C 13 52.610 0.600 . 1 . . . A 460 ASP CA . 17399 1 1217 . 1 1 110 110 ASP CB C 13 39.980 0.600 . 1 . . . A 460 ASP CB . 17399 1 1218 . 1 1 110 110 ASP N N 15 113.330 0.500 . 1 . . . A 460 ASP N . 17399 1 1219 . 1 1 111 111 TRP H H 1 8.280 0.020 . 1 . . . A 461 TRP H . 17399 1 1220 . 1 1 111 111 TRP HA H 1 4.721 0.020 . 1 . . . A 461 TRP HA . 17399 1 1221 . 1 1 111 111 TRP HB2 H 1 3.562 0.020 . 2 . . . A 461 TRP HB2 . 17399 1 1222 . 1 1 111 111 TRP HB3 H 1 3.174 0.020 . 2 . . . A 461 TRP HB3 . 17399 1 1223 . 1 1 111 111 TRP HD1 H 1 6.905 0.020 . 1 . . . A 461 TRP HD1 . 17399 1 1224 . 1 1 111 111 TRP HE1 H 1 10.820 0.020 . 1 . . . A 461 TRP HE1 . 17399 1 1225 . 1 1 111 111 TRP HE3 H 1 7.429 0.020 . 1 . . . A 461 TRP HE3 . 17399 1 1226 . 1 1 111 111 TRP C C 13 174.975 0.600 . 1 . . . A 461 TRP C . 17399 1 1227 . 1 1 111 111 TRP CA C 13 59.754 0.600 . 1 . . . A 461 TRP CA . 17399 1 1228 . 1 1 111 111 TRP CB C 13 25.468 0.600 . 1 . . . A 461 TRP CB . 17399 1 1229 . 1 1 111 111 TRP CD1 C 13 131.471 0.600 . 1 . . . A 461 TRP CD1 . 17399 1 1230 . 1 1 111 111 TRP CE3 C 13 118.429 0.600 . 1 . . . A 461 TRP CE3 . 17399 1 1231 . 1 1 111 111 TRP N N 15 114.970 0.500 . 1 . . . A 461 TRP N . 17399 1 1232 . 1 1 111 111 TRP NE1 N 15 130.865 0.500 . 1 . . . A 461 TRP NE1 . 17399 1 1233 . 1 1 112 112 SER H H 1 7.680 0.020 . 1 . . . A 462 SER H . 17399 1 1234 . 1 1 112 112 SER HA H 1 4.840 0.020 . 1 . . . A 462 SER HA . 17399 1 1235 . 1 1 112 112 SER HB2 H 1 3.701 0.020 . 2 . . . A 462 SER HB2 . 17399 1 1236 . 1 1 112 112 SER HB3 H 1 3.701 0.020 . 2 . . . A 462 SER HB3 . 17399 1 1237 . 1 1 112 112 SER C C 13 176.586 0.600 . 1 . . . A 462 SER C . 17399 1 1238 . 1 1 112 112 SER CA C 13 57.987 0.600 . 1 . . . A 462 SER CA . 17399 1 1239 . 1 1 112 112 SER CB C 13 64.350 0.600 . 1 . . . A 462 SER CB . 17399 1 1240 . 1 1 112 112 SER N N 15 111.150 0.500 . 1 . . . A 462 SER N . 17399 1 1241 . 1 1 113 113 ASN H H 1 8.822 0.020 . 1 . . . A 463 ASN H . 17399 1 1242 . 1 1 113 113 ASN HA H 1 4.404 0.020 . 1 . . . A 463 ASN HA . 17399 1 1243 . 1 1 113 113 ASN HB2 H 1 2.897 0.020 . 2 . . . A 463 ASN HB2 . 17399 1 1244 . 1 1 113 113 ASN HB3 H 1 2.897 0.020 . 2 . . . A 463 ASN HB3 . 17399 1 1245 . 1 1 113 113 ASN C C 13 176.659 0.600 . 1 . . . A 463 ASN C . 17399 1 1246 . 1 1 113 113 ASN CA C 13 54.976 0.600 . 1 . . . A 463 ASN CA . 17399 1 1247 . 1 1 113 113 ASN CB C 13 38.629 0.600 . 1 . . . A 463 ASN CB . 17399 1 1248 . 1 1 113 113 ASN N N 15 119.380 0.500 . 1 . . . A 463 ASN N . 17399 1 1249 . 1 1 114 114 TYR H H 1 8.620 0.020 . 1 . . . A 464 TYR H . 17399 1 1250 . 1 1 114 114 TYR HA H 1 4.563 0.020 . 1 . . . A 464 TYR HA . 17399 1 1251 . 1 1 114 114 TYR HB2 H 1 3.486 0.020 . 2 . . . A 464 TYR HB2 . 17399 1 1252 . 1 1 114 114 TYR HB3 H 1 2.620 0.020 . 2 . . . A 464 TYR HB3 . 17399 1 1253 . 1 1 114 114 TYR HD1 H 1 7.350 0.020 . 3 . . . A 464 TYR HD1 . 17399 1 1254 . 1 1 114 114 TYR HD2 H 1 7.350 0.020 . 3 . . . A 464 TYR HD2 . 17399 1 1255 . 1 1 114 114 TYR C C 13 174.828 0.600 . 1 . . . A 464 TYR C . 17399 1 1256 . 1 1 114 114 TYR CA C 13 58.270 0.600 . 1 . . . A 464 TYR CA . 17399 1 1257 . 1 1 114 114 TYR CB C 13 39.370 0.600 . 1 . . . A 464 TYR CB . 17399 1 1258 . 1 1 114 114 TYR CD1 C 13 129.841 0.600 . 3 . . . A 464 TYR CD1 . 17399 1 1259 . 1 1 114 114 TYR CD2 C 13 129.841 0.600 . 3 . . . A 464 TYR CD2 . 17399 1 1260 . 1 1 114 114 TYR N N 15 121.420 0.500 . 1 . . . A 464 TYR N . 17399 1 1261 . 1 1 115 115 ALA H H 1 9.130 0.020 . 1 . . . A 465 ALA H . 17399 1 1262 . 1 1 115 115 ALA HA H 1 5.500 0.020 . 1 . . . A 465 ALA HA . 17399 1 1263 . 1 1 115 115 ALA HB1 H 1 1.301 0.020 . 1 . . . A 465 ALA HB3 . 17399 1 1264 . 1 1 115 115 ALA HB2 H 1 1.301 0.020 . 1 . . . A 465 ALA HB3 . 17399 1 1265 . 1 1 115 115 ALA HB3 H 1 1.301 0.020 . 1 . . . A 465 ALA HB3 . 17399 1 1266 . 1 1 115 115 ALA C C 13 177.978 0.600 . 1 . . . A 465 ALA C . 17399 1 1267 . 1 1 115 115 ALA CA C 13 51.670 0.600 . 1 . . . A 465 ALA CA . 17399 1 1268 . 1 1 115 115 ALA CB C 13 18.530 0.600 . 1 . . . A 465 ALA CB . 17399 1 1269 . 1 1 115 115 ALA N N 15 126.180 0.500 . 1 . . . A 465 ALA N . 17399 1 1270 . 1 1 116 116 GLN H H 1 7.690 0.020 . 1 . . . A 466 GLN H . 17399 1 1271 . 1 1 116 116 GLN HA H 1 4.135 0.020 . 1 . . . A 466 GLN HA . 17399 1 1272 . 1 1 116 116 GLN HB2 H 1 1.820 0.020 . 2 . . . A 466 GLN HB2 . 17399 1 1273 . 1 1 116 116 GLN HB3 H 1 1.820 0.020 . 2 . . . A 466 GLN HB3 . 17399 1 1274 . 1 1 116 116 GLN HG2 H 1 2.230 0.020 . 2 . . . A 466 GLN HG2 . 17399 1 1275 . 1 1 116 116 GLN HG3 H 1 2.230 0.020 . 2 . . . A 466 GLN HG3 . 17399 1 1276 . 1 1 116 116 GLN C C 13 176.403 0.600 . 1 . . . A 466 GLN C . 17399 1 1277 . 1 1 116 116 GLN CA C 13 58.665 0.600 . 1 . . . A 466 GLN CA . 17399 1 1278 . 1 1 116 116 GLN CB C 13 29.492 0.600 . 1 . . . A 466 GLN CB . 17399 1 1279 . 1 1 116 116 GLN CG C 13 36.310 0.600 . 1 . . . A 466 GLN CG . 17399 1 1280 . 1 1 116 116 GLN N N 15 118.200 0.500 . 1 . . . A 466 GLN N . 17399 1 1281 . 1 1 117 117 SER H H 1 8.220 0.020 . 1 . . . A 467 SER H . 17399 1 1282 . 1 1 117 117 SER HA H 1 4.158 0.020 . 1 . . . A 467 SER HA . 17399 1 1283 . 1 1 117 117 SER HB2 H 1 3.986 0.020 . 2 . . . A 467 SER HB2 . 17399 1 1284 . 1 1 117 117 SER HB3 H 1 3.986 0.020 . 2 . . . A 467 SER HB3 . 17399 1 1285 . 1 1 117 117 SER C C 13 176.330 0.600 . 1 . . . A 467 SER C . 17399 1 1286 . 1 1 117 117 SER CA C 13 61.190 0.600 . 1 . . . A 467 SER CA . 17399 1 1287 . 1 1 117 117 SER CB C 13 62.740 0.600 . 1 . . . A 467 SER CB . 17399 1 1288 . 1 1 117 117 SER N N 15 111.490 0.500 . 1 . . . A 467 SER N . 17399 1 1289 . 1 1 118 118 GLY H H 1 7.940 0.020 . 1 . . . A 468 GLY H . 17399 1 1290 . 1 1 118 118 GLY HA2 H 1 3.994 0.020 . 2 . . . A 468 GLY HA2 . 17399 1 1291 . 1 1 118 118 GLY HA3 H 1 3.994 0.020 . 2 . . . A 468 GLY HA3 . 17399 1 1292 . 1 1 118 118 GLY C C 13 174.791 0.600 . 1 . . . A 468 GLY C . 17399 1 1293 . 1 1 118 118 GLY CA C 13 45.240 0.600 . 1 . . . A 468 GLY CA . 17399 1 1294 . 1 1 118 118 GLY N N 15 108.830 0.500 . 1 . . . A 468 GLY N . 17399 1 1295 . 1 1 119 119 ASP H H 1 8.130 0.020 . 1 . . . A 469 ASP H . 17399 1 1296 . 1 1 119 119 ASP HA H 1 5.264 0.020 . 1 . . . A 469 ASP HA . 17399 1 1297 . 1 1 119 119 ASP HB2 H 1 3.367 0.020 . 2 . . . A 469 ASP HB2 . 17399 1 1298 . 1 1 119 119 ASP HB3 H 1 2.752 0.020 . 2 . . . A 469 ASP HB3 . 17399 1 1299 . 1 1 119 119 ASP C C 13 178.820 0.600 . 1 . . . A 469 ASP C . 17399 1 1300 . 1 1 119 119 ASP CA C 13 55.550 0.600 . 1 . . . A 469 ASP CA . 17399 1 1301 . 1 1 119 119 ASP CB C 13 41.792 0.600 . 1 . . . A 469 ASP CB . 17399 1 1302 . 1 1 119 119 ASP N N 15 123.140 0.500 . 1 . . . A 469 ASP N . 17399 1 1303 . 1 1 120 120 TYR H H 1 10.800 0.020 . 1 . . . A 470 TYR H . 17399 1 1304 . 1 1 120 120 TYR HA H 1 4.236 0.020 . 1 . . . A 470 TYR HA . 17399 1 1305 . 1 1 120 120 TYR HB2 H 1 2.970 0.020 . 2 . . . A 470 TYR HB2 . 17399 1 1306 . 1 1 120 120 TYR HB3 H 1 3.315 0.020 . 2 . . . A 470 TYR HB3 . 17399 1 1307 . 1 1 120 120 TYR HD1 H 1 6.937 0.020 . 3 . . . A 470 TYR HD1 . 17399 1 1308 . 1 1 120 120 TYR HD2 H 1 6.937 0.020 . 3 . . . A 470 TYR HD2 . 17399 1 1309 . 1 1 120 120 TYR C C 13 178.161 0.600 . 1 . . . A 470 TYR C . 17399 1 1310 . 1 1 120 120 TYR CA C 13 62.800 0.600 . 1 . . . A 470 TYR CA . 17399 1 1311 . 1 1 120 120 TYR CB C 13 38.350 0.600 . 1 . . . A 470 TYR CB . 17399 1 1312 . 1 1 120 120 TYR CD1 C 13 131.109 0.600 . 3 . . . A 470 TYR CD1 . 17399 1 1313 . 1 1 120 120 TYR CD2 C 13 131.109 0.600 . 3 . . . A 470 TYR CD2 . 17399 1 1314 . 1 1 120 120 TYR N N 15 126.980 0.500 . 1 . . . A 470 TYR N . 17399 1 1315 . 1 1 121 121 SER H H 1 8.270 0.020 . 1 . . . A 471 SER H . 17399 1 1316 . 1 1 121 121 SER HA H 1 4.690 0.020 . 1 . . . A 471 SER HA . 17399 1 1317 . 1 1 121 121 SER HB2 H 1 3.553 0.020 . 2 . . . A 471 SER HB2 . 17399 1 1318 . 1 1 121 121 SER HB3 H 1 3.553 0.020 . 2 . . . A 471 SER HB3 . 17399 1 1319 . 1 1 121 121 SER C C 13 171.495 0.600 . 1 . . . A 471 SER C . 17399 1 1320 . 1 1 121 121 SER CA C 13 60.762 0.600 . 1 . . . A 471 SER CA . 17399 1 1321 . 1 1 121 121 SER CB C 13 64.600 0.600 . 1 . . . A 471 SER CB . 17399 1 1322 . 1 1 121 121 SER N N 15 109.310 0.500 . 1 . . . A 471 SER N . 17399 1 1323 . 1 1 122 122 PHE H H 1 7.120 0.020 . 1 . . . A 472 PHE H . 17399 1 1324 . 1 1 122 122 PHE HA H 1 4.896 0.020 . 1 . . . A 472 PHE HA . 17399 1 1325 . 1 1 122 122 PHE HB2 H 1 3.740 0.020 . 2 . . . A 472 PHE HB2 . 17399 1 1326 . 1 1 122 122 PHE HB3 H 1 3.150 0.020 . 2 . . . A 472 PHE HB3 . 17399 1 1327 . 1 1 122 122 PHE HD1 H 1 7.230 0.020 . 3 . . . A 472 PHE HD1 . 17399 1 1328 . 1 1 122 122 PHE HD2 H 1 7.230 0.020 . 3 . . . A 472 PHE HD2 . 17399 1 1329 . 1 1 122 122 PHE C C 13 177.795 0.600 . 1 . . . A 472 PHE C . 17399 1 1330 . 1 1 122 122 PHE CA C 13 58.873 0.600 . 1 . . . A 472 PHE CA . 17399 1 1331 . 1 1 122 122 PHE CB C 13 41.579 0.600 . 1 . . . A 472 PHE CB . 17399 1 1332 . 1 1 122 122 PHE CD1 C 13 131.109 0.600 . 3 . . . A 472 PHE CD1 . 17399 1 1333 . 1 1 122 122 PHE CD2 C 13 131.109 0.600 . 3 . . . A 472 PHE CD2 . 17399 1 1334 . 1 1 122 122 PHE N N 15 118.190 0.500 . 1 . . . A 472 PHE N . 17399 1 1335 . 1 1 123 123 PHE H H 1 7.250 0.020 . 1 . . . A 473 PHE H . 17399 1 1336 . 1 1 123 123 PHE HA H 1 3.994 0.020 . 1 . . . A 473 PHE HA . 17399 1 1337 . 1 1 123 123 PHE HB2 H 1 3.220 0.020 . 2 . . . A 473 PHE HB2 . 17399 1 1338 . 1 1 123 123 PHE HB3 H 1 3.106 0.020 . 2 . . . A 473 PHE HB3 . 17399 1 1339 . 1 1 123 123 PHE HD1 H 1 6.717 0.020 . 3 . . . A 473 PHE HD1 . 17399 1 1340 . 1 1 123 123 PHE HD2 H 1 6.717 0.020 . 3 . . . A 473 PHE HD2 . 17399 1 1341 . 1 1 123 123 PHE HE1 H 1 6.717 0.020 . 3 . . . A 473 PHE HE1 . 17399 1 1342 . 1 1 123 123 PHE HE2 H 1 6.717 0.020 . 3 . . . A 473 PHE HE2 . 17399 1 1343 . 1 1 123 123 PHE C C 13 172.301 0.600 . 1 . . . A 473 PHE C . 17399 1 1344 . 1 1 123 123 PHE CA C 13 58.800 0.600 . 1 . . . A 473 PHE CA . 17399 1 1345 . 1 1 123 123 PHE CB C 13 41.930 0.600 . 1 . . . A 473 PHE CB . 17399 1 1346 . 1 1 123 123 PHE N N 15 125.860 0.500 . 1 . . . A 473 PHE N . 17399 1 1347 . 1 1 124 124 LYS H H 1 8.800 0.020 . 1 . . . A 474 LYS H . 17399 1 1348 . 1 1 124 124 LYS HA H 1 4.141 0.020 . 1 . . . A 474 LYS HA . 17399 1 1349 . 1 1 124 124 LYS HB2 H 1 1.715 0.020 . 2 . . . A 474 LYS HB2 . 17399 1 1350 . 1 1 124 124 LYS HB3 H 1 1.715 0.020 . 2 . . . A 474 LYS HB3 . 17399 1 1351 . 1 1 124 124 LYS HG2 H 1 1.394 0.020 . 2 . . . A 474 LYS HG2 . 17399 1 1352 . 1 1 124 124 LYS HG3 H 1 1.394 0.020 . 2 . . . A 474 LYS HG3 . 17399 1 1353 . 1 1 124 124 LYS HD2 H 1 1.716 0.020 . 2 . . . A 474 LYS HD2 . 17399 1 1354 . 1 1 124 124 LYS HD3 H 1 1.716 0.020 . 2 . . . A 474 LYS HD3 . 17399 1 1355 . 1 1 124 124 LYS HE2 H 1 3.109 0.020 . 2 . . . A 474 LYS HE2 . 17399 1 1356 . 1 1 124 124 LYS HE3 H 1 3.109 0.020 . 2 . . . A 474 LYS HE3 . 17399 1 1357 . 1 1 124 124 LYS C C 13 175.341 0.600 . 1 . . . A 474 LYS C . 17399 1 1358 . 1 1 124 124 LYS CA C 13 56.120 0.600 . 1 . . . A 474 LYS CA . 17399 1 1359 . 1 1 124 124 LYS CB C 13 31.848 0.600 . 1 . . . A 474 LYS CB . 17399 1 1360 . 1 1 124 124 LYS CG C 13 24.841 0.600 . 1 . . . A 474 LYS CG . 17399 1 1361 . 1 1 124 124 LYS CD C 13 29.556 0.600 . 1 . . . A 474 LYS CD . 17399 1 1362 . 1 1 124 124 LYS CE C 13 41.837 0.600 . 1 . . . A 474 LYS CE . 17399 1 1363 . 1 1 124 124 LYS N N 15 123.490 0.500 . 1 . . . A 474 LYS N . 17399 1 1364 . 1 1 125 125 SER H H 1 8.130 0.020 . 1 . . . A 475 SER H . 17399 1 1365 . 1 1 125 125 SER HA H 1 4.553 0.020 . 1 . . . A 475 SER HA . 17399 1 1366 . 1 1 125 125 SER HB2 H 1 4.640 0.020 . 2 . . . A 475 SER HB2 . 17399 1 1367 . 1 1 125 125 SER HB3 H 1 3.875 0.020 . 2 . . . A 475 SER HB3 . 17399 1 1368 . 1 1 125 125 SER CA C 13 58.131 0.600 . 1 . . . A 475 SER CA . 17399 1 1369 . 1 1 125 125 SER CB C 13 64.750 0.600 . 1 . . . A 475 SER CB . 17399 1 1370 . 1 1 125 125 SER N N 15 119.840 0.500 . 1 . . . A 475 SER N . 17399 1 1371 . 1 1 126 126 ASN H H 1 8.650 0.020 . 1 . . . A 476 ASN H . 17399 1 1372 . 1 1 126 126 ASN HA H 1 4.723 0.020 . 1 . . . A 476 ASN HA . 17399 1 1373 . 1 1 126 126 ASN HB2 H 1 2.896 0.020 . 2 . . . A 476 ASN HB2 . 17399 1 1374 . 1 1 126 126 ASN HB3 H 1 2.896 0.020 . 2 . . . A 476 ASN HB3 . 17399 1 1375 . 1 1 126 126 ASN C C 13 175.100 0.600 . 1 . . . A 476 ASN C . 17399 1 1376 . 1 1 126 126 ASN CA C 13 54.246 0.600 . 1 . . . A 476 ASN CA . 17399 1 1377 . 1 1 126 126 ASN CB C 13 38.719 0.600 . 1 . . . A 476 ASN CB . 17399 1 1378 . 1 1 126 126 ASN N N 15 117.160 0.500 . 1 . . . A 476 ASN N . 17399 1 1379 . 1 1 127 127 THR H H 1 7.742 0.020 . 1 . . . A 477 THR H . 17399 1 1380 . 1 1 127 127 THR HA H 1 4.558 0.020 . 1 . . . A 477 THR HA . 17399 1 1381 . 1 1 127 127 THR HB H 1 4.219 0.020 . 1 . . . A 477 THR HB . 17399 1 1382 . 1 1 127 127 THR HG21 H 1 1.246 0.020 . 1 . . . A 477 THR HG21 . 17399 1 1383 . 1 1 127 127 THR HG22 H 1 1.246 0.020 . 1 . . . A 477 THR HG21 . 17399 1 1384 . 1 1 127 127 THR HG23 H 1 1.246 0.020 . 1 . . . A 477 THR HG21 . 17399 1 1385 . 1 1 127 127 THR C C 13 176.917 0.600 . 1 . . . A 477 THR C . 17399 1 1386 . 1 1 127 127 THR CA C 13 59.297 0.600 . 1 . . . A 477 THR CA . 17399 1 1387 . 1 1 127 127 THR CB C 13 71.363 0.600 . 1 . . . A 477 THR CB . 17399 1 1388 . 1 1 127 127 THR CG2 C 13 20.710 0.600 . 1 . . . A 477 THR CG2 . 17399 1 1389 . 1 1 127 127 THR N N 15 110.544 0.500 . 1 . . . A 477 THR N . 17399 1 1390 . 1 1 128 128 PHE H H 1 8.846 0.020 . 1 . . . A 478 PHE H . 17399 1 1391 . 1 1 128 128 PHE HA H 1 4.720 0.020 . 1 . . . A 478 PHE HA . 17399 1 1392 . 1 1 128 128 PHE HB2 H 1 2.802 0.020 . 2 . . . A 478 PHE HB2 . 17399 1 1393 . 1 1 128 128 PHE HB3 H 1 2.737 0.020 . 2 . . . A 478 PHE HB3 . 17399 1 1394 . 1 1 128 128 PHE C C 13 176.110 0.600 . 1 . . . A 478 PHE C . 17399 1 1395 . 1 1 128 128 PHE CA C 13 54.526 0.600 . 1 . . . A 478 PHE CA . 17399 1 1396 . 1 1 128 128 PHE CB C 13 38.345 0.600 . 1 . . . A 478 PHE CB . 17399 1 1397 . 1 1 128 128 PHE N N 15 119.800 0.500 . 1 . . . A 478 PHE N . 17399 1 1398 . 1 1 129 129 LYS H H 1 8.980 0.020 . 1 . . . A 479 LYS H . 17399 1 1399 . 1 1 129 129 LYS HA H 1 4.610 0.020 . 1 . . . A 479 LYS HA . 17399 1 1400 . 1 1 129 129 LYS HB2 H 1 1.910 0.020 . 2 . . . A 479 LYS HB2 . 17399 1 1401 . 1 1 129 129 LYS HB3 H 1 1.568 0.020 . 2 . . . A 479 LYS HB3 . 17399 1 1402 . 1 1 129 129 LYS C C 13 173.774 0.600 . 1 . . . A 479 LYS C . 17399 1 1403 . 1 1 129 129 LYS CA C 13 55.181 0.600 . 1 . . . A 479 LYS CA . 17399 1 1404 . 1 1 129 129 LYS CB C 13 32.639 0.600 . 1 . . . A 479 LYS CB . 17399 1 1405 . 1 1 129 129 LYS N N 15 121.735 0.500 . 1 . . . A 479 LYS N . 17399 1 1406 . 1 1 130 130 THR H H 1 8.470 0.020 . 1 . . . A 480 THR H . 17399 1 1407 . 1 1 130 130 THR HA H 1 4.200 0.020 . 1 . . . A 480 THR HA . 17399 1 1408 . 1 1 130 130 THR HB H 1 3.903 0.020 . 1 . . . A 480 THR HB . 17399 1 1409 . 1 1 130 130 THR HG21 H 1 1.970 0.020 . 1 . . . A 480 THR HG21 . 17399 1 1410 . 1 1 130 130 THR HG22 H 1 1.970 0.020 . 1 . . . A 480 THR HG21 . 17399 1 1411 . 1 1 130 130 THR HG23 H 1 1.970 0.020 . 1 . . . A 480 THR HG21 . 17399 1 1412 . 1 1 130 130 THR C C 13 174.352 0.600 . 1 . . . A 480 THR C . 17399 1 1413 . 1 1 130 130 THR CA C 13 64.998 0.600 . 1 . . . A 480 THR CA . 17399 1 1414 . 1 1 130 130 THR CB C 13 68.931 0.600 . 1 . . . A 480 THR CB . 17399 1 1415 . 1 1 130 130 THR CG2 C 13 23.531 0.600 . 1 . . . A 480 THR CG2 . 17399 1 1416 . 1 1 130 130 THR N N 15 120.296 0.500 . 1 . . . A 480 THR N . 17399 1 1417 . 1 1 131 131 THR H H 1 8.470 0.020 . 1 . . . A 481 THR H . 17399 1 1418 . 1 1 131 131 THR HA H 1 5.250 0.020 . 1 . . . A 481 THR HA . 17399 1 1419 . 1 1 131 131 THR HB H 1 4.445 0.020 . 1 . . . A 481 THR HB . 17399 1 1420 . 1 1 131 131 THR HG21 H 1 0.980 0.020 . 1 . . . A 481 THR HG21 . 17399 1 1421 . 1 1 131 131 THR HG22 H 1 0.980 0.020 . 1 . . . A 481 THR HG21 . 17399 1 1422 . 1 1 131 131 THR HG23 H 1 0.980 0.020 . 1 . . . A 481 THR HG21 . 17399 1 1423 . 1 1 131 131 THR C C 13 172.667 0.600 . 1 . . . A 481 THR C . 17399 1 1424 . 1 1 131 131 THR CA C 13 57.530 0.600 . 1 . . . A 481 THR CA . 17399 1 1425 . 1 1 131 131 THR CB C 13 70.340 0.600 . 1 . . . A 481 THR CB . 17399 1 1426 . 1 1 131 131 THR CG2 C 13 21.415 0.600 . 1 . . . A 481 THR CG2 . 17399 1 1427 . 1 1 131 131 THR N N 15 120.300 0.500 . 1 . . . A 481 THR N . 17399 1 1428 . 1 1 132 132 LYS H H 1 9.230 0.020 . 1 . . . A 482 LYS H . 17399 1 1429 . 1 1 132 132 LYS HA H 1 4.308 0.020 . 1 . . . A 482 LYS HA . 17399 1 1430 . 1 1 132 132 LYS HB2 H 1 1.818 0.020 . 2 . . . A 482 LYS HB2 . 17399 1 1431 . 1 1 132 132 LYS HB3 H 1 1.818 0.020 . 2 . . . A 482 LYS HB3 . 17399 1 1432 . 1 1 132 132 LYS HG2 H 1 1.330 0.020 . 2 . . . A 482 LYS HG2 . 17399 1 1433 . 1 1 132 132 LYS HG3 H 1 1.330 0.020 . 2 . . . A 482 LYS HG3 . 17399 1 1434 . 1 1 132 132 LYS HD2 H 1 1.739 0.020 . 2 . . . A 482 LYS HD2 . 17399 1 1435 . 1 1 132 132 LYS HD3 H 1 1.739 0.020 . 2 . . . A 482 LYS HD3 . 17399 1 1436 . 1 1 132 132 LYS HE2 H 1 3.800 0.020 . 2 . . . A 482 LYS HE2 . 17399 1 1437 . 1 1 132 132 LYS HE3 H 1 3.800 0.020 . 2 . . . A 482 LYS HE3 . 17399 1 1438 . 1 1 132 132 LYS C C 13 174.901 0.600 . 1 . . . A 482 LYS C . 17399 1 1439 . 1 1 132 132 LYS CA C 13 56.390 0.600 . 1 . . . A 482 LYS CA . 17399 1 1440 . 1 1 132 132 LYS CB C 13 32.920 0.600 . 1 . . . A 482 LYS CB . 17399 1 1441 . 1 1 132 132 LYS CG C 13 24.832 0.600 . 1 . . . A 482 LYS CG . 17399 1 1442 . 1 1 132 132 LYS CD C 13 29.234 0.600 . 1 . . . A 482 LYS CD . 17399 1 1443 . 1 1 132 132 LYS CE C 13 41.932 0.600 . 1 . . . A 482 LYS CE . 17399 1 1444 . 1 1 132 132 LYS N N 15 126.460 0.500 . 1 . . . A 482 LYS N . 17399 1 1445 . 1 1 133 133 LYS H H 1 8.550 0.020 . 1 . . . A 483 LYS H . 17399 1 1446 . 1 1 133 133 LYS HA H 1 4.312 0.020 . 1 . . . A 483 LYS HA . 17399 1 1447 . 1 1 133 133 LYS HB2 H 1 1.819 0.020 . 2 . . . A 483 LYS HB2 . 17399 1 1448 . 1 1 133 133 LYS HB3 H 1 1.819 0.020 . 2 . . . A 483 LYS HB3 . 17399 1 1449 . 1 1 133 133 LYS HG2 H 1 1.552 0.020 . 2 . . . A 483 LYS HG2 . 17399 1 1450 . 1 1 133 133 LYS HG3 H 1 1.552 0.020 . 2 . . . A 483 LYS HG3 . 17399 1 1451 . 1 1 133 133 LYS HD2 H 1 1.644 0.020 . 2 . . . A 483 LYS HD2 . 17399 1 1452 . 1 1 133 133 LYS HD3 H 1 1.644 0.020 . 2 . . . A 483 LYS HD3 . 17399 1 1453 . 1 1 133 133 LYS HE2 H 1 3.210 0.020 . 2 . . . A 483 LYS HE2 . 17399 1 1454 . 1 1 133 133 LYS HE3 H 1 3.210 0.020 . 2 . . . A 483 LYS HE3 . 17399 1 1455 . 1 1 133 133 LYS C C 13 175.780 0.600 . 1 . . . A 483 LYS C . 17399 1 1456 . 1 1 133 133 LYS CA C 13 56.238 0.600 . 1 . . . A 483 LYS CA . 17399 1 1457 . 1 1 133 133 LYS CB C 13 32.844 0.600 . 1 . . . A 483 LYS CB . 17399 1 1458 . 1 1 133 133 LYS CG C 13 26.995 0.600 . 1 . . . A 483 LYS CG . 17399 1 1459 . 1 1 133 133 LYS CD C 13 30.953 0.600 . 1 . . . A 483 LYS CD . 17399 1 1460 . 1 1 133 133 LYS CE C 13 43.241 0.600 . 1 . . . A 483 LYS CE . 17399 1 1461 . 1 1 133 133 LYS N N 15 116.000 0.500 . 1 . . . A 483 LYS N . 17399 1 1462 . 1 1 134 134 ILE H H 1 7.200 0.020 . 1 . . . A 484 ILE H . 17399 1 1463 . 1 1 134 134 ILE HA H 1 4.846 0.020 . 1 . . . A 484 ILE HA . 17399 1 1464 . 1 1 134 134 ILE HB H 1 1.506 0.020 . 1 . . . A 484 ILE HB . 17399 1 1465 . 1 1 134 134 ILE HG12 H 1 1.341 0.020 . 1 . . . A 484 ILE HG12 . 17399 1 1466 . 1 1 134 134 ILE HG13 H 1 1.341 0.020 . 1 . . . A 484 ILE HG13 . 17399 1 1467 . 1 1 134 134 ILE HG21 H 1 0.800 0.020 . 1 . . . A 484 ILE HG21 . 17399 1 1468 . 1 1 134 134 ILE HG22 H 1 0.800 0.020 . 1 . . . A 484 ILE HG21 . 17399 1 1469 . 1 1 134 134 ILE HG23 H 1 0.800 0.020 . 1 . . . A 484 ILE HG21 . 17399 1 1470 . 1 1 134 134 ILE HD11 H 1 0.617 0.020 . 1 . . . A 484 ILE HD11 . 17399 1 1471 . 1 1 134 134 ILE HD12 H 1 0.617 0.020 . 1 . . . A 484 ILE HD11 . 17399 1 1472 . 1 1 134 134 ILE HD13 H 1 0.617 0.020 . 1 . . . A 484 ILE HD11 . 17399 1 1473 . 1 1 134 134 ILE C C 13 175.303 0.600 . 1 . . . A 484 ILE C . 17399 1 1474 . 1 1 134 134 ILE CA C 13 62.261 0.600 . 1 . . . A 484 ILE CA . 17399 1 1475 . 1 1 134 134 ILE CB C 13 40.140 0.600 . 1 . . . A 484 ILE CB . 17399 1 1476 . 1 1 134 134 ILE CG1 C 13 28.935 0.600 . 1 . . . A 484 ILE CG1 . 17399 1 1477 . 1 1 134 134 ILE CG2 C 13 16.560 0.600 . 1 . . . A 484 ILE CG2 . 17399 1 1478 . 1 1 134 134 ILE CD1 C 13 14.958 0.600 . 1 . . . A 484 ILE CD1 . 17399 1 1479 . 1 1 134 134 ILE N N 15 121.650 0.500 . 1 . . . A 484 ILE N . 17399 1 1480 . 1 1 135 135 THR H H 1 8.900 0.020 . 1 . . . A 485 THR H . 17399 1 1481 . 1 1 135 135 THR HA H 1 5.820 0.020 . 1 . . . A 485 THR HA . 17399 1 1482 . 1 1 135 135 THR HB H 1 4.160 0.020 . 1 . . . A 485 THR HB . 17399 1 1483 . 1 1 135 135 THR HG21 H 1 1.900 0.020 . 1 . . . A 485 THR HG21 . 17399 1 1484 . 1 1 135 135 THR HG22 H 1 1.900 0.020 . 1 . . . A 485 THR HG21 . 17399 1 1485 . 1 1 135 135 THR HG23 H 1 1.900 0.020 . 1 . . . A 485 THR HG21 . 17399 1 1486 . 1 1 135 135 THR C C 13 174.791 0.600 . 1 . . . A 485 THR C . 17399 1 1487 . 1 1 135 135 THR CA C 13 58.530 0.600 . 1 . . . A 485 THR CA . 17399 1 1488 . 1 1 135 135 THR CB C 13 70.120 0.600 . 1 . . . A 485 THR CB . 17399 1 1489 . 1 1 135 135 THR N N 15 111.310 0.500 . 1 . . . A 485 THR N . 17399 1 1490 . 1 1 136 136 LEU H H 1 8.420 0.020 . 1 . . . A 486 LEU H . 17399 1 1491 . 1 1 136 136 LEU HA H 1 5.967 0.020 . 1 . . . A 486 LEU HA . 17399 1 1492 . 1 1 136 136 LEU HB2 H 1 1.838 0.020 . 2 . . . A 486 LEU HB2 . 17399 1 1493 . 1 1 136 136 LEU HB3 H 1 1.838 0.020 . 2 . . . A 486 LEU HB3 . 17399 1 1494 . 1 1 136 136 LEU HG H 1 1.425 0.020 . 1 . . . A 486 LEU HG . 17399 1 1495 . 1 1 136 136 LEU HD11 H 1 0.856 0.020 . 2 . . . A 486 LEU HD11 . 17399 1 1496 . 1 1 136 136 LEU HD12 H 1 0.856 0.020 . 2 . . . A 486 LEU HD11 . 17399 1 1497 . 1 1 136 136 LEU HD13 H 1 0.856 0.020 . 2 . . . A 486 LEU HD11 . 17399 1 1498 . 1 1 136 136 LEU HD21 H 1 0.488 0.020 . 2 . . . A 486 LEU HD21 . 17399 1 1499 . 1 1 136 136 LEU HD22 H 1 0.488 0.020 . 2 . . . A 486 LEU HD21 . 17399 1 1500 . 1 1 136 136 LEU HD23 H 1 0.488 0.020 . 2 . . . A 486 LEU HD21 . 17399 1 1501 . 1 1 136 136 LEU C C 13 175.817 0.600 . 1 . . . A 486 LEU C . 17399 1 1502 . 1 1 136 136 LEU CA C 13 52.700 0.600 . 1 . . . A 486 LEU CA . 17399 1 1503 . 1 1 136 136 LEU CB C 13 46.450 0.600 . 1 . . . A 486 LEU CB . 17399 1 1504 . 1 1 136 136 LEU CG C 13 25.125 0.600 . 1 . . . A 486 LEU CG . 17399 1 1505 . 1 1 136 136 LEU CD1 C 13 24.460 0.600 . 1 . . . A 486 LEU CD1 . 17399 1 1506 . 1 1 136 136 LEU CD2 C 13 24.460 0.600 . 1 . . . A 486 LEU CD2 . 17399 1 1507 . 1 1 136 136 LEU N N 15 116.300 0.500 . 1 . . . A 486 LEU N . 17399 1 1508 . 1 1 137 137 TYR H H 1 9.700 0.020 . 1 . . . A 487 TYR H . 17399 1 1509 . 1 1 137 137 TYR HA H 1 5.107 0.020 . 1 . . . A 487 TYR HA . 17399 1 1510 . 1 1 137 137 TYR HB2 H 1 3.140 0.020 . 2 . . . A 487 TYR HB2 . 17399 1 1511 . 1 1 137 137 TYR HB3 H 1 2.726 0.020 . 2 . . . A 487 TYR HB3 . 17399 1 1512 . 1 1 137 137 TYR HD1 H 1 6.765 0.020 . 3 . . . A 487 TYR HD1 . 17399 1 1513 . 1 1 137 137 TYR HD2 H 1 6.765 0.020 . 3 . . . A 487 TYR HD2 . 17399 1 1514 . 1 1 137 137 TYR HE1 H 1 6.765 0.020 . 3 . . . A 487 TYR HE1 . 17399 1 1515 . 1 1 137 137 TYR HE2 H 1 6.765 0.020 . 3 . . . A 487 TYR HE2 . 17399 1 1516 . 1 1 137 137 TYR C C 13 174.220 0.600 . 1 . . . A 487 TYR C . 17399 1 1517 . 1 1 137 137 TYR CA C 13 56.330 0.600 . 1 . . . A 487 TYR CA . 17399 1 1518 . 1 1 137 137 TYR CB C 13 40.700 0.600 . 1 . . . A 487 TYR CB . 17399 1 1519 . 1 1 137 137 TYR N N 15 120.170 0.500 . 1 . . . A 487 TYR N . 17399 1 1520 . 1 1 138 138 ASP H H 1 8.760 0.020 . 1 . . . A 488 ASP H . 17399 1 1521 . 1 1 138 138 ASP HA H 1 5.143 0.020 . 1 . . . A 488 ASP HA . 17399 1 1522 . 1 1 138 138 ASP HB2 H 1 2.806 0.020 . 2 . . . A 488 ASP HB2 . 17399 1 1523 . 1 1 138 138 ASP HB3 H 1 2.463 0.020 . 2 . . . A 488 ASP HB3 . 17399 1 1524 . 1 1 138 138 ASP C C 13 177.502 0.600 . 1 . . . A 488 ASP C . 17399 1 1525 . 1 1 138 138 ASP CA C 13 52.400 0.600 . 1 . . . A 488 ASP CA . 17399 1 1526 . 1 1 138 138 ASP CB C 13 43.280 0.600 . 1 . . . A 488 ASP CB . 17399 1 1527 . 1 1 138 138 ASP N N 15 119.810 0.500 . 1 . . . A 488 ASP N . 17399 1 1528 . 1 1 139 139 GLN H H 1 9.730 0.020 . 1 . . . A 489 GLN H . 17399 1 1529 . 1 1 139 139 GLN HA H 1 4.141 0.020 . 1 . . . A 489 GLN HA . 17399 1 1530 . 1 1 139 139 GLN HB2 H 1 1.643 0.020 . 2 . . . A 489 GLN HB2 . 17399 1 1531 . 1 1 139 139 GLN HB3 H 1 1.643 0.020 . 2 . . . A 489 GLN HB3 . 17399 1 1532 . 1 1 139 139 GLN HG2 H 1 2.151 0.020 . 2 . . . A 489 GLN HG2 . 17399 1 1533 . 1 1 139 139 GLN HG3 H 1 2.151 0.020 . 2 . . . A 489 GLN HG3 . 17399 1 1534 . 1 1 139 139 GLN C C 13 176.769 0.600 . 1 . . . A 489 GLN C . 17399 1 1535 . 1 1 139 139 GLN CA C 13 57.602 0.600 . 1 . . . A 489 GLN CA . 17399 1 1536 . 1 1 139 139 GLN CB C 13 26.951 0.600 . 1 . . . A 489 GLN CB . 17399 1 1537 . 1 1 139 139 GLN CG C 13 34.396 0.600 . 1 . . . A 489 GLN CG . 17399 1 1538 . 1 1 139 139 GLN N N 15 124.140 0.500 . 1 . . . A 489 GLN N . 17399 1 1539 . 1 1 140 140 GLY H H 1 8.490 0.020 . 1 . . . A 490 GLY H . 17399 1 1540 . 1 1 140 140 GLY HA2 H 1 4.185 0.020 . 2 . . . A 490 GLY HA2 . 17399 1 1541 . 1 1 140 140 GLY HA3 H 1 3.431 0.020 . 2 . . . A 490 GLY HA3 . 17399 1 1542 . 1 1 140 140 GLY C C 13 173.473 0.600 . 1 . . . A 490 GLY C . 17399 1 1543 . 1 1 140 140 GLY CA C 13 45.240 0.600 . 1 . . . A 490 GLY CA . 17399 1 1544 . 1 1 140 140 GLY N N 15 102.380 0.500 . 1 . . . A 490 GLY N . 17399 1 1545 . 1 1 141 141 LYS H H 1 7.930 0.020 . 1 . . . A 491 LYS H . 17399 1 1546 . 1 1 141 141 LYS HA H 1 4.574 0.020 . 1 . . . A 491 LYS HA . 17399 1 1547 . 1 1 141 141 LYS HB2 H 1 1.930 0.020 . 2 . . . A 491 LYS HB2 . 17399 1 1548 . 1 1 141 141 LYS HB3 H 1 1.930 0.020 . 2 . . . A 491 LYS HB3 . 17399 1 1549 . 1 1 141 141 LYS HG2 H 1 1.379 0.020 . 2 . . . A 491 LYS HG2 . 17399 1 1550 . 1 1 141 141 LYS HG3 H 1 1.379 0.020 . 2 . . . A 491 LYS HG3 . 17399 1 1551 . 1 1 141 141 LYS HD2 H 1 1.499 0.020 . 2 . . . A 491 LYS HD2 . 17399 1 1552 . 1 1 141 141 LYS HD3 H 1 1.499 0.020 . 2 . . . A 491 LYS HD3 . 17399 1 1553 . 1 1 141 141 LYS HE2 H 1 2.701 0.020 . 2 . . . A 491 LYS HE2 . 17399 1 1554 . 1 1 141 141 LYS HE3 H 1 3.100 0.020 . 2 . . . A 491 LYS HE3 . 17399 1 1555 . 1 1 141 141 LYS C C 13 176.000 0.600 . 1 . . . A 491 LYS C . 17399 1 1556 . 1 1 141 141 LYS CA C 13 55.279 0.600 . 1 . . . A 491 LYS CA . 17399 1 1557 . 1 1 141 141 LYS CB C 13 33.800 0.600 . 1 . . . A 491 LYS CB . 17399 1 1558 . 1 1 141 141 LYS CG C 13 24.809 0.600 . 1 . . . A 491 LYS CG . 17399 1 1559 . 1 1 141 141 LYS CD C 13 28.883 0.600 . 1 . . . A 491 LYS CD . 17399 1 1560 . 1 1 141 141 LYS CE C 13 42.390 0.600 . 1 . . . A 491 LYS CE . 17399 1 1561 . 1 1 141 141 LYS N N 15 122.800 0.500 . 1 . . . A 491 LYS N . 17399 1 1562 . 1 1 142 142 LEU H H 1 8.810 0.020 . 1 . . . A 492 LEU H . 17399 1 1563 . 1 1 142 142 LEU HA H 1 3.789 0.020 . 1 . . . A 492 LEU HA . 17399 1 1564 . 1 1 142 142 LEU HB2 H 1 1.750 0.020 . 2 . . . A 492 LEU HB2 . 17399 1 1565 . 1 1 142 142 LEU HB3 H 1 1.750 0.020 . 2 . . . A 492 LEU HB3 . 17399 1 1566 . 1 1 142 142 LEU HG H 1 1.317 0.020 . 1 . . . A 492 LEU HG . 17399 1 1567 . 1 1 142 142 LEU HD11 H 1 0.577 0.020 . 2 . . . A 492 LEU HD11 . 17399 1 1568 . 1 1 142 142 LEU HD12 H 1 0.577 0.020 . 2 . . . A 492 LEU HD11 . 17399 1 1569 . 1 1 142 142 LEU HD13 H 1 0.577 0.020 . 2 . . . A 492 LEU HD11 . 17399 1 1570 . 1 1 142 142 LEU C C 13 177.477 0.600 . 1 . . . A 492 LEU C . 17399 1 1571 . 1 1 142 142 LEU CA C 13 57.145 0.600 . 1 . . . A 492 LEU CA . 17399 1 1572 . 1 1 142 142 LEU CB C 13 41.870 0.600 . 1 . . . A 492 LEU CB . 17399 1 1573 . 1 1 142 142 LEU CG C 13 26.661 0.600 . 1 . . . A 492 LEU CG . 17399 1 1574 . 1 1 142 142 LEU CD1 C 13 23.462 0.600 . 1 . . . A 492 LEU CD1 . 17399 1 1575 . 1 1 142 142 LEU N N 15 128.170 0.500 . 1 . . . A 492 LEU N . 17399 1 1576 . 1 1 143 143 ILE H H 1 8.960 0.020 . 1 . . . A 493 ILE H . 17399 1 1577 . 1 1 143 143 ILE HA H 1 4.768 0.020 . 1 . . . A 493 ILE HA . 17399 1 1578 . 1 1 143 143 ILE HB H 1 2.220 0.020 . 1 . . . A 493 ILE HB . 17399 1 1579 . 1 1 143 143 ILE HG12 H 1 1.980 0.020 . 1 . . . A 493 ILE HG12 . 17399 1 1580 . 1 1 143 143 ILE HG13 H 1 1.980 0.020 . 1 . . . A 493 ILE HG13 . 17399 1 1581 . 1 1 143 143 ILE HG21 H 1 0.825 0.020 . 1 . . . A 493 ILE HG21 . 17399 1 1582 . 1 1 143 143 ILE HG22 H 1 0.825 0.020 . 1 . . . A 493 ILE HG21 . 17399 1 1583 . 1 1 143 143 ILE HG23 H 1 0.825 0.020 . 1 . . . A 493 ILE HG21 . 17399 1 1584 . 1 1 143 143 ILE HD11 H 1 0.840 0.020 . 1 . . . A 493 ILE HD11 . 17399 1 1585 . 1 1 143 143 ILE HD12 H 1 0.840 0.020 . 1 . . . A 493 ILE HD11 . 17399 1 1586 . 1 1 143 143 ILE HD13 H 1 0.840 0.020 . 1 . . . A 493 ILE HD11 . 17399 1 1587 . 1 1 143 143 ILE C C 13 175.536 0.600 . 1 . . . A 493 ILE C . 17399 1 1588 . 1 1 143 143 ILE CA C 13 60.720 0.600 . 1 . . . A 493 ILE CA . 17399 1 1589 . 1 1 143 143 ILE CB C 13 41.360 0.600 . 1 . . . A 493 ILE CB . 17399 1 1590 . 1 1 143 143 ILE CG1 C 13 28.960 0.600 . 1 . . . A 493 ILE CG1 . 17399 1 1591 . 1 1 143 143 ILE CG2 C 13 13.225 0.600 . 1 . . . A 493 ILE CG2 . 17399 1 1592 . 1 1 143 143 ILE CD1 C 13 18.853 0.600 . 1 . . . A 493 ILE CD1 . 17399 1 1593 . 1 1 143 143 ILE N N 15 121.660 0.500 . 1 . . . A 493 ILE N . 17399 1 1594 . 1 1 144 144 TRP H H 1 7.550 0.020 . 1 . . . A 494 TRP H . 17399 1 1595 . 1 1 144 144 TRP HA H 1 4.835 0.020 . 1 . . . A 494 TRP HA . 17399 1 1596 . 1 1 144 144 TRP HB2 H 1 2.774 0.020 . 2 . . . A 494 TRP HB2 . 17399 1 1597 . 1 1 144 144 TRP HB3 H 1 3.732 0.020 . 2 . . . A 494 TRP HB3 . 17399 1 1598 . 1 1 144 144 TRP HD1 H 1 7.230 0.020 . 1 . . . A 494 TRP HD1 . 17399 1 1599 . 1 1 144 144 TRP HE1 H 1 11.147 0.020 . 1 . . . A 494 TRP HE1 . 17399 1 1600 . 1 1 144 144 TRP C C 13 174.401 0.600 . 1 . . . A 494 TRP C . 17399 1 1601 . 1 1 144 144 TRP CA C 13 57.894 0.600 . 1 . . . A 494 TRP CA . 17399 1 1602 . 1 1 144 144 TRP CB C 13 33.700 0.600 . 1 . . . A 494 TRP CB . 17399 1 1603 . 1 1 144 144 TRP CD1 C 13 131.109 0.600 . 1 . . . A 494 TRP CD1 . 17399 1 1604 . 1 1 144 144 TRP N N 15 123.380 0.500 . 1 . . . A 494 TRP N . 17399 1 1605 . 1 1 144 144 TRP NE1 N 15 129.679 0.500 . 1 . . . A 494 TRP NE1 . 17399 1 1606 . 1 1 145 145 GLY H H 1 7.570 0.020 . 1 . . . A 495 GLY H . 17399 1 1607 . 1 1 145 145 GLY HA2 H 1 3.276 0.020 . 2 . . . A 495 GLY HA2 . 17399 1 1608 . 1 1 145 145 GLY HA3 H 1 4.409 0.020 . 2 . . . A 495 GLY HA3 . 17399 1 1609 . 1 1 145 145 GLY CA C 13 43.570 0.600 . 1 . . . A 495 GLY CA . 17399 1 1610 . 1 1 145 145 GLY N N 15 112.290 0.500 . 1 . . . A 495 GLY N . 17399 1 1611 . 1 1 146 146 THR H H 1 8.350 0.020 . 1 . . . A 496 THR H . 17399 1 1612 . 1 1 146 146 THR HA H 1 4.294 0.020 . 1 . . . A 496 THR HA . 17399 1 1613 . 1 1 146 146 THR HB H 1 3.479 0.020 . 1 . . . A 496 THR HB . 17399 1 1614 . 1 1 146 146 THR HG21 H 1 1.830 0.020 . 1 . . . A 496 THR HG21 . 17399 1 1615 . 1 1 146 146 THR HG22 H 1 1.830 0.020 . 1 . . . A 496 THR HG21 . 17399 1 1616 . 1 1 146 146 THR HG23 H 1 1.830 0.020 . 1 . . . A 496 THR HG21 . 17399 1 1617 . 1 1 146 146 THR C C 13 171.764 0.600 . 1 . . . A 496 THR C . 17399 1 1618 . 1 1 146 146 THR CA C 13 60.610 0.600 . 1 . . . A 496 THR CA . 17399 1 1619 . 1 1 146 146 THR CB C 13 71.360 0.600 . 1 . . . A 496 THR CB . 17399 1 1620 . 1 1 146 146 THR CG2 C 13 22.410 0.600 . 1 . . . A 496 THR CG2 . 17399 1 1621 . 1 1 146 146 THR N N 15 113.990 0.500 . 1 . . . A 496 THR N . 17399 1 1622 . 1 1 147 147 GLU H H 1 8.900 0.020 . 1 . . . A 497 GLU H . 17399 1 1623 . 1 1 147 147 GLU HA H 1 4.193 0.020 . 1 . . . A 497 GLU HA . 17399 1 1624 . 1 1 147 147 GLU HB2 H 1 1.580 0.020 . 2 . . . A 497 GLU HB2 . 17399 1 1625 . 1 1 147 147 GLU HB3 H 1 1.580 0.020 . 2 . . . A 497 GLU HB3 . 17399 1 1626 . 1 1 147 147 GLU HG2 H 1 2.000 0.020 . 2 . . . A 497 GLU HG2 . 17399 1 1627 . 1 1 147 147 GLU HG3 H 1 2.000 0.020 . 2 . . . A 497 GLU HG3 . 17399 1 1628 . 1 1 147 147 GLU CA C 13 54.900 0.600 . 1 . . . A 497 GLU CA . 17399 1 1629 . 1 1 147 147 GLU CB C 13 27.590 0.600 . 1 . . . A 497 GLU CB . 17399 1 1630 . 1 1 147 147 GLU CG C 13 38.390 0.600 . 1 . . . A 497 GLU CG . 17399 1 1631 . 1 1 147 147 GLU N N 15 128.590 0.500 . 1 . . . A 497 GLU N . 17399 1 1632 . 1 1 148 148 PRO HA H 1 4.357 0.020 . 1 . . . A 498 PRO HA . 17399 1 1633 . 1 1 148 148 PRO HB2 H 1 1.602 0.020 . 2 . . . A 498 PRO HB2 . 17399 1 1634 . 1 1 148 148 PRO HB3 H 1 1.602 0.020 . 2 . . . A 498 PRO HB3 . 17399 1 1635 . 1 1 148 148 PRO HG2 H 1 1.403 0.020 . 2 . . . A 498 PRO HG2 . 17399 1 1636 . 1 1 148 148 PRO HG3 H 1 1.403 0.020 . 2 . . . A 498 PRO HG3 . 17399 1 1637 . 1 1 148 148 PRO C C 13 176.142 0.600 . 1 . . . A 498 PRO C . 17399 1 1638 . 1 1 148 148 PRO CA C 13 62.758 0.600 . 1 . . . A 498 PRO CA . 17399 1 1639 . 1 1 148 148 PRO CB C 13 30.300 0.600 . 1 . . . A 498 PRO CB . 17399 1 1640 . 1 1 148 148 PRO CG C 13 24.814 0.600 . 1 . . . A 498 PRO CG . 17399 1 1641 . 1 1 149 149 ASN H H 1 7.815 0.020 . 1 . . . A 499 ASN H . 17399 1 1642 . 1 1 149 149 ASN HA H 1 4.266 0.020 . 1 . . . A 499 ASN HA . 17399 1 1643 . 1 1 149 149 ASN HB2 H 1 2.400 0.020 . 2 . . . A 499 ASN HB2 . 17399 1 1644 . 1 1 149 149 ASN HB3 H 1 2.400 0.020 . 2 . . . A 499 ASN HB3 . 17399 1 1645 . 1 1 149 149 ASN CA C 13 54.339 0.600 . 1 . . . A 499 ASN CA . 17399 1 1646 . 1 1 149 149 ASN CB C 13 41.151 0.600 . 1 . . . A 499 ASN CB . 17399 1 1647 . 1 1 149 149 ASN N N 15 119.250 0.500 . 1 . . . A 499 ASN N . 17399 1 stop_ save_