data_25188 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25188 _Entry.Title ; Solution Structure of the YTH Domain of YT521-B in complex with N6-Methyladenosine containing RNA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-09-01 _Entry.Accession_date 2014-09-01 _Entry.Last_release_date 2015-10-01 _Entry.Original_release_date 2015-10-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _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 Dominik Theler . . . 25188 2 Cyril Dominguez . . . 25188 3 Markus Blatter . . . 25188 4 Julien Boudet . . . 25188 5 Frederic Allain . H.-T. . 25188 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' . 25188 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID YTH . 25188 m6A . 25188 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 25188 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 683 25188 '15N chemical shifts' 155 25188 '1H chemical shifts' 1138 25188 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 2 . . 2015-10-01 2014-09-01 update BMRB 'update entry citation' 25188 1 . . 2014-11-17 2014-09-01 original author 'original release' 25188 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MTV 'BMRB Entry Tracking System' 25188 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 25188 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25389274 _Citation.Full_citation . _Citation.Title ; Solution structure of the YTH domain in complex with N6-methyladenosine RNA: a reader of methylated RNA ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full . _Citation.Journal_volume 42 _Citation.Journal_issue 22 _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 13911 _Citation.Page_last 13919 _Citation.Year 2014 _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 Dominik Theler . . . 25188 1 2 Cyril Dominguez . . . 25188 1 3 Markus Blatter . . . 25188 1 4 Julien Boudet . . . 25188 1 5 Frederic Allain . H.-T. . 25188 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25188 _Assembly.ID 1 _Assembly.Name 'YTH Domain of YT521-B in complex with N6-Methyladenosine containing RNA' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 entity_1 1 $entity_1 A . yes native no no . . . 25188 1 2 "RNA (5'-R(*UP*GP*(6MA)P*CP*AP*C)-3')" 2 $RNA_(5'-R(*UP*GP*(6MA)P*CP*AP*C)-3') B . yes native no no . . . 25188 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 25188 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; QTSKLKSVLQDARFFLIKSN NHENVSLAKAKGVWSTLPVN EKKLNLAFRSARSVILIFSV RESGKFQGFARLSSESHHGG SPIHWVLPAGMSAKMLGGVF KIDWICRRELPFTKSAHLTN PWNEHKPVKIGRDGQEIELE CGTQLCLLFPPDESID ; _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 156 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 17508.334 _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 2MTV . "Solution Structure Of The Yth Domain Of Yt521-b In Complex With N6- Methyladenosine Containing Rna" . . . . . 100.00 156 100.00 100.00 1.91e-109 . . . . 25188 1 2 no PDB 2YUD . "Solution Structure Of The Yth Domain In Yth Domain- Containing Protein 1 (Putative Splicing Factor Yt521)" . . . . . 100.00 180 99.36 99.36 4.20e-109 . . . . 25188 1 3 no PDB 4R3H . "The Crystal Structure Of An Apo Rna Binding Protein" . . . . . 99.36 166 99.35 99.35 5.67e-108 . . . . 25188 1 4 no PDB 4R3I . "The Crystal Structure Of An Rna Complex" . . . . . 99.36 166 99.35 99.35 5.67e-108 . . . . 25188 1 5 no DBJ BAA23885 . "RNA splicing-related protein [Rattus norvegicus]" . . . . . 100.00 712 100.00 100.00 4.45e-103 . . . . 25188 1 6 no DBJ BAB71181 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 658 99.36 99.36 1.03e-102 . . . . 25188 1 7 no DBJ BAB85552 . "KIAA1966 protein [Homo sapiens]" . . . . . 100.00 480 99.36 99.36 2.94e-105 . . . . 25188 1 8 no DBJ BAD32590 . "mKIAA1966 protein [Mus musculus]" . . . . . 100.00 507 99.36 99.36 5.65e-105 . . . . 25188 1 9 no DBJ BAG10510 . "YTH domain-containing protein 1 [synthetic construct]" . . . . . 100.00 727 99.36 99.36 6.79e-102 . . . . 25188 1 10 no EMBL CAH91339 . "hypothetical protein [Pongo abelii]" . . . . . 100.00 482 99.36 99.36 7.46e-110 . . . . 25188 1 11 no GB AAD55973 . "putative splicing factor YT521-B [Rattus norvegicus]" . . . . . 100.00 738 100.00 100.00 1.30e-102 . . . . 25188 1 12 no GB AAH22697 . "Ythdc1 protein, partial [Mus musculus]" . . . . . 78.21 350 100.00 100.00 9.92e-83 . . . . 25188 1 13 no GB AAH41119 . "YTH domain containing 1 [Homo sapiens]" . . . . . 100.00 727 99.36 99.36 6.79e-102 . . . . 25188 1 14 no GB AAH53863 . "YTH domain containing 1 [Homo sapiens]" . . . . . 100.00 709 99.36 99.36 1.87e-102 . . . . 25188 1 15 no GB AAI02815 . "YTHDC1 protein [Bos taurus]" . . . . . 89.74 376 99.29 100.00 4.31e-96 . . . . 25188 1 16 no REF NP_001026902 . "YTH domain-containing protein 1 isoform 1 [Homo sapiens]" . . . . . 100.00 727 99.36 99.36 6.79e-102 . . . . 25188 1 17 no REF NP_001039985 . "YTH domain-containing protein 1 [Bos taurus]" . . . . . 100.00 717 98.72 99.36 1.06e-101 . . . . 25188 1 18 no REF NP_001125792 . "YTH domain-containing protein 1 [Pongo abelii]" . . . . . 100.00 482 99.36 99.36 7.46e-110 . . . . 25188 1 19 no REF NP_588611 . "YTH domain-containing protein 1 isoform 2 [Homo sapiens]" . . . . . 100.00 709 99.36 99.36 1.87e-102 . . . . 25188 1 20 no REF NP_596914 . "YTH domain-containing protein 1 [Rattus norvegicus]" . . . . . 100.00 738 100.00 100.00 1.30e-102 . . . . 25188 1 21 no SP E9Q5K9 . "RecName: Full=YTH domain-containing protein 1" . . . . . 100.00 736 99.36 99.36 3.58e-102 . . . . 25188 1 22 no SP Q96MU7 . "RecName: Full=YTH domain-containing protein 1; AltName: Full=Putative splicing factor YT521; Short=YT521-B" . . . . . 100.00 727 99.36 99.36 6.79e-102 . . . . 25188 1 23 no SP Q9QY02 . "RecName: Full=YTH domain-containing protein 1; AltName: Full=Putative splicing factor YT521; AltName: Full=RA301-binding protei" . . . . . 100.00 738 99.36 99.36 8.67e-102 . . . . 25188 1 24 no TPG DAA28607 . "TPA: splicing factor YT521-B [Bos taurus]" . . . . . 100.00 718 98.72 99.36 1.12e-101 . . . . 25188 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 1 347 GLN . 25188 1 2 348 THR . 25188 1 3 349 SER . 25188 1 4 350 LYS . 25188 1 5 351 LEU . 25188 1 6 352 LYS . 25188 1 7 353 SER . 25188 1 8 354 VAL . 25188 1 9 355 LEU . 25188 1 10 356 GLN . 25188 1 11 357 ASP . 25188 1 12 358 ALA . 25188 1 13 359 ARG . 25188 1 14 360 PHE . 25188 1 15 361 PHE . 25188 1 16 362 LEU . 25188 1 17 363 ILE . 25188 1 18 364 LYS . 25188 1 19 365 SER . 25188 1 20 366 ASN . 25188 1 21 367 ASN . 25188 1 22 368 HIS . 25188 1 23 369 GLU . 25188 1 24 370 ASN . 25188 1 25 371 VAL . 25188 1 26 372 SER . 25188 1 27 373 LEU . 25188 1 28 374 ALA . 25188 1 29 375 LYS . 25188 1 30 376 ALA . 25188 1 31 377 LYS . 25188 1 32 378 GLY . 25188 1 33 379 VAL . 25188 1 34 380 TRP . 25188 1 35 381 SER . 25188 1 36 382 THR . 25188 1 37 383 LEU . 25188 1 38 384 PRO . 25188 1 39 385 VAL . 25188 1 40 386 ASN . 25188 1 41 387 GLU . 25188 1 42 388 LYS . 25188 1 43 389 LYS . 25188 1 44 390 LEU . 25188 1 45 391 ASN . 25188 1 46 392 LEU . 25188 1 47 393 ALA . 25188 1 48 394 PHE . 25188 1 49 395 ARG . 25188 1 50 396 SER . 25188 1 51 397 ALA . 25188 1 52 398 ARG . 25188 1 53 399 SER . 25188 1 54 400 VAL . 25188 1 55 401 ILE . 25188 1 56 402 LEU . 25188 1 57 403 ILE . 25188 1 58 404 PHE . 25188 1 59 405 SER . 25188 1 60 406 VAL . 25188 1 61 407 ARG . 25188 1 62 408 GLU . 25188 1 63 409 SER . 25188 1 64 410 GLY . 25188 1 65 411 LYS . 25188 1 66 412 PHE . 25188 1 67 413 GLN . 25188 1 68 414 GLY . 25188 1 69 415 PHE . 25188 1 70 416 ALA . 25188 1 71 417 ARG . 25188 1 72 418 LEU . 25188 1 73 419 SER . 25188 1 74 420 SER . 25188 1 75 421 GLU . 25188 1 76 422 SER . 25188 1 77 423 HIS . 25188 1 78 424 HIS . 25188 1 79 425 GLY . 25188 1 80 426 GLY . 25188 1 81 427 SER . 25188 1 82 428 PRO . 25188 1 83 429 ILE . 25188 1 84 430 HIS . 25188 1 85 431 TRP . 25188 1 86 432 VAL . 25188 1 87 433 LEU . 25188 1 88 434 PRO . 25188 1 89 435 ALA . 25188 1 90 436 GLY . 25188 1 91 437 MET . 25188 1 92 438 SER . 25188 1 93 439 ALA . 25188 1 94 440 LYS . 25188 1 95 441 MET . 25188 1 96 442 LEU . 25188 1 97 443 GLY . 25188 1 98 444 GLY . 25188 1 99 445 VAL . 25188 1 100 446 PHE . 25188 1 101 447 LYS . 25188 1 102 448 ILE . 25188 1 103 449 ASP . 25188 1 104 450 TRP . 25188 1 105 451 ILE . 25188 1 106 452 CYS . 25188 1 107 453 ARG . 25188 1 108 454 ARG . 25188 1 109 455 GLU . 25188 1 110 456 LEU . 25188 1 111 457 PRO . 25188 1 112 458 PHE . 25188 1 113 459 THR . 25188 1 114 460 LYS . 25188 1 115 461 SER . 25188 1 116 462 ALA . 25188 1 117 463 HIS . 25188 1 118 464 LEU . 25188 1 119 465 THR . 25188 1 120 466 ASN . 25188 1 121 467 PRO . 25188 1 122 468 TRP . 25188 1 123 469 ASN . 25188 1 124 470 GLU . 25188 1 125 471 HIS . 25188 1 126 472 LYS . 25188 1 127 473 PRO . 25188 1 128 474 VAL . 25188 1 129 475 LYS . 25188 1 130 476 ILE . 25188 1 131 477 GLY . 25188 1 132 478 ARG . 25188 1 133 479 ASP . 25188 1 134 480 GLY . 25188 1 135 481 GLN . 25188 1 136 482 GLU . 25188 1 137 483 ILE . 25188 1 138 484 GLU . 25188 1 139 485 LEU . 25188 1 140 486 GLU . 25188 1 141 487 CYS . 25188 1 142 488 GLY . 25188 1 143 489 THR . 25188 1 144 490 GLN . 25188 1 145 491 LEU . 25188 1 146 492 CYS . 25188 1 147 493 LEU . 25188 1 148 494 LEU . 25188 1 149 495 PHE . 25188 1 150 496 PRO . 25188 1 151 497 PRO . 25188 1 152 498 ASP . 25188 1 153 499 GLU . 25188 1 154 500 SER . 25188 1 155 501 ILE . 25188 1 156 502 ASP . 25188 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 . GLN 1 1 25188 1 . THR 2 2 25188 1 . SER 3 3 25188 1 . LYS 4 4 25188 1 . LEU 5 5 25188 1 . LYS 6 6 25188 1 . SER 7 7 25188 1 . VAL 8 8 25188 1 . LEU 9 9 25188 1 . GLN 10 10 25188 1 . ASP 11 11 25188 1 . ALA 12 12 25188 1 . ARG 13 13 25188 1 . PHE 14 14 25188 1 . PHE 15 15 25188 1 . LEU 16 16 25188 1 . ILE 17 17 25188 1 . LYS 18 18 25188 1 . SER 19 19 25188 1 . ASN 20 20 25188 1 . ASN 21 21 25188 1 . HIS 22 22 25188 1 . GLU 23 23 25188 1 . ASN 24 24 25188 1 . VAL 25 25 25188 1 . SER 26 26 25188 1 . LEU 27 27 25188 1 . ALA 28 28 25188 1 . LYS 29 29 25188 1 . ALA 30 30 25188 1 . LYS 31 31 25188 1 . GLY 32 32 25188 1 . VAL 33 33 25188 1 . TRP 34 34 25188 1 . SER 35 35 25188 1 . THR 36 36 25188 1 . LEU 37 37 25188 1 . PRO 38 38 25188 1 . VAL 39 39 25188 1 . ASN 40 40 25188 1 . GLU 41 41 25188 1 . LYS 42 42 25188 1 . LYS 43 43 25188 1 . LEU 44 44 25188 1 . ASN 45 45 25188 1 . LEU 46 46 25188 1 . ALA 47 47 25188 1 . PHE 48 48 25188 1 . ARG 49 49 25188 1 . SER 50 50 25188 1 . ALA 51 51 25188 1 . ARG 52 52 25188 1 . SER 53 53 25188 1 . VAL 54 54 25188 1 . ILE 55 55 25188 1 . LEU 56 56 25188 1 . ILE 57 57 25188 1 . PHE 58 58 25188 1 . SER 59 59 25188 1 . VAL 60 60 25188 1 . ARG 61 61 25188 1 . GLU 62 62 25188 1 . SER 63 63 25188 1 . GLY 64 64 25188 1 . LYS 65 65 25188 1 . PHE 66 66 25188 1 . GLN 67 67 25188 1 . GLY 68 68 25188 1 . PHE 69 69 25188 1 . ALA 70 70 25188 1 . ARG 71 71 25188 1 . LEU 72 72 25188 1 . SER 73 73 25188 1 . SER 74 74 25188 1 . GLU 75 75 25188 1 . SER 76 76 25188 1 . HIS 77 77 25188 1 . HIS 78 78 25188 1 . GLY 79 79 25188 1 . GLY 80 80 25188 1 . SER 81 81 25188 1 . PRO 82 82 25188 1 . ILE 83 83 25188 1 . HIS 84 84 25188 1 . TRP 85 85 25188 1 . VAL 86 86 25188 1 . LEU 87 87 25188 1 . PRO 88 88 25188 1 . ALA 89 89 25188 1 . GLY 90 90 25188 1 . MET 91 91 25188 1 . SER 92 92 25188 1 . ALA 93 93 25188 1 . LYS 94 94 25188 1 . MET 95 95 25188 1 . LEU 96 96 25188 1 . GLY 97 97 25188 1 . GLY 98 98 25188 1 . VAL 99 99 25188 1 . PHE 100 100 25188 1 . LYS 101 101 25188 1 . ILE 102 102 25188 1 . ASP 103 103 25188 1 . TRP 104 104 25188 1 . ILE 105 105 25188 1 . CYS 106 106 25188 1 . ARG 107 107 25188 1 . ARG 108 108 25188 1 . GLU 109 109 25188 1 . LEU 110 110 25188 1 . PRO 111 111 25188 1 . PHE 112 112 25188 1 . THR 113 113 25188 1 . LYS 114 114 25188 1 . SER 115 115 25188 1 . ALA 116 116 25188 1 . HIS 117 117 25188 1 . LEU 118 118 25188 1 . THR 119 119 25188 1 . ASN 120 120 25188 1 . PRO 121 121 25188 1 . TRP 122 122 25188 1 . ASN 123 123 25188 1 . GLU 124 124 25188 1 . HIS 125 125 25188 1 . LYS 126 126 25188 1 . PRO 127 127 25188 1 . VAL 128 128 25188 1 . LYS 129 129 25188 1 . ILE 130 130 25188 1 . GLY 131 131 25188 1 . ARG 132 132 25188 1 . ASP 133 133 25188 1 . GLY 134 134 25188 1 . GLN 135 135 25188 1 . GLU 136 136 25188 1 . ILE 137 137 25188 1 . GLU 138 138 25188 1 . LEU 139 139 25188 1 . GLU 140 140 25188 1 . CYS 141 141 25188 1 . GLY 142 142 25188 1 . THR 143 143 25188 1 . GLN 144 144 25188 1 . LEU 145 145 25188 1 . CYS 146 146 25188 1 . LEU 147 147 25188 1 . LEU 148 148 25188 1 . PHE 149 149 25188 1 . PRO 150 150 25188 1 . PRO 151 151 25188 1 . ASP 152 152 25188 1 . GLU 153 153 25188 1 . SER 154 154 25188 1 . ILE 155 155 25188 1 . ASP 156 156 25188 1 stop_ save_ save_RNA_(5'-R(*UP*GP*(6MA)P*CP*AP*C)-3') _Entity.Sf_category entity _Entity.Sf_framecode RNA_(5'-R(*UP*GP*(6MA)P*CP*AP*C)-3') _Entity.Entry_ID 25188 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name RNA_(5'-R(*UP*GP*(6MA)P*CP*AP*C)-3') _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; UGXCAC ; _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 yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 6 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1873.230 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 1 157 U . 25188 2 2 158 G . 25188 2 3 159 6MZ . 25188 2 4 160 C . 25188 2 5 161 A . 25188 2 6 162 C . 25188 2 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 . U 1 1 25188 2 . G 2 2 25188 2 . 6MZ 3 3 25188 2 . C 4 4 25188 2 . A 5 5 25188 2 . C 6 6 25188 2 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 25188 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 10116 organism . 'Rattus norvegicus' 'Norway rat' . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . 25188 1 2 2 $RNA_(5'-R(*UP*GP*(6MA)P*CP*AP*C)-3') . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . 25188 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 25188 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pTYB11 . . . 25188 1 2 2 $RNA_(5'-R(*UP*GP*(6MA)P*CP*AP*C)-3') . 'chemical synthesis' . . . . . . . . . . . . . . . . 25188 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_6MZ _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_6MZ _Chem_comp.Entry_ID 25188 _Chem_comp.ID 6MZ _Chem_comp.Provenance PDB _Chem_comp.Name N6-METHYLADENOSINE-5'-MONOPHOSPHATE _Chem_comp.Type 'RNA LINKING' _Chem_comp.BMRB_code 6MZ _Chem_comp.PDB_code 6MZ _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code N _Chem_comp.Three_letter_code 6MZ _Chem_comp.Number_atoms_all 40 _Chem_comp.Number_atoms_nh 24 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C11H16N5O7P/c1-12-9-6-10(14-3-13-9)16(4-15-6)11-8(18)7(17)5(23-11)2-22-24(19,20)21/h3-5,7-8,11,17-18H,2H2,1H3,(H,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1 ; _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID A _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C11 H16 N5 O7 P' _Chem_comp.Formula_weight 361.248 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CNc1c2c(ncn1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O SMILES 'OpenEye OEToolkits' 1.7.6 25188 6MZ CNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.6 25188 6MZ CNc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O SMILES_CANONICAL CACTVS 3.370 25188 6MZ CNc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O SMILES CACTVS 3.370 25188 6MZ ; InChI=1S/C11H16N5O7P/c1-12-9-6-10(14-3-13-9)16(4-15-6)11-8(18)7(17)5(23-11)2-22-24(19,20)21/h3-5,7-8,11,17-18H,2H2,1H3,(H,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1 ; InChI InChI 1.03 25188 6MZ O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)NC)C(O)C3O SMILES ACDLabs 12.01 25188 6MZ WETVNPRPZIYMAC-IOSLPCCCSA-N InChIKey InChI 1.03 25188 6MZ stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID "N-methyladenosine 5'-(dihydrogen phosphate)" 'SYSTEMATIC NAME' ACDLabs 12.01 25188 6MZ '[(2R,3S,4R,5R)-5-[6-(methylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.6 25188 6MZ stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C2 C2 C2 C2 . C . . N 0 . . . 1 yes no . . . . 202.191 . 94.809 . -2.784 . 4.850 -1.059 -0.961 1 . 25188 6MZ C4 C4 C4 C4 . C . . N 0 . . . 1 yes no . . . . 200.999 . 93.902 . -1.149 . 2.811 -0.211 -0.324 2 . 25188 6MZ C5 C5 C5 C5 . C . . N 0 . . . 1 yes no . . . . 201.650 . 94.643 . -0.171 . 3.452 0.951 0.140 3 . 25188 6MZ O1P O1P O1P O1P . O . . N 0 . . . 1 no no . . . . 199.114 . 89.190 . 4.356 . -6.250 0.244 0.138 4 . 25188 6MZ O2P O2P O2P O2P . O . . N 0 . . . 1 no no . . . . 200.745 . 91.209 . 4.442 . -4.706 1.944 1.186 5 . 25188 6MZ N9 N9 N9 N9 . N . . N 0 . . . 1 yes no . . . . 200.080 . 93.130 . -0.485 . 1.473 -0.028 -0.080 6 . 25188 6MZ N3 N3 N3 N3 . N . . N 0 . . . 1 yes no . . . . 201.219 . 93.937 . -2.480 . 3.543 -1.181 -0.862 7 . 25188 6MZ N1 N1 N1 N1 . N . . N 0 . . . 1 yes no . . . . 202.913 . 95.597 . -1.965 . 5.496 0.013 -0.540 8 . 25188 6MZ C6 C6 C6 C6 . C . . N 0 . . . 1 yes no . . . . 202.675 . 95.549 . -0.627 . 4.848 1.034 0.012 9 . 25188 6MZ N6 N6 N6 N6 . N . . N 0 . . . 1 no no . . . . 203.426 . 96.361 . 0.159 . 5.534 2.154 0.449 10 . 25188 6MZ C9 C9 C9 C9 . C . . N 0 . . . 1 no no . . . . 203.322 . 96.445 . 1.513 . 6.990 2.223 0.308 11 . 25188 6MZ N7 N7 N7 N7 . N . . N 0 . . . 1 yes no . . . . 201.147 . 94.331 . 1.087 . 2.490 1.767 0.633 12 . 25188 6MZ C8 C8 C8 C8 . C . . N 0 . . . 1 yes no . . . . 200.223 . 93.433 . 0.845 . 1.328 1.195 0.505 13 . 25188 6MZ O5' O5' O5' O5' . O . . N 0 . . . 1 no no . . . . 199.377 . 90.741 . 2.391 . -3.698 0.344 -0.486 14 . 25188 6MZ C5' C5' C5' C5' . C . . N 0 . . . 1 no no . . . . 198.283 . 90.142 . 1.666 . -3.093 -0.612 0.388 15 . 25188 6MZ C4' C4' C4' C4' . C . . R 0 . . . 1 no no . . . . 198.433 . 90.365 . 0.182 . -1.898 -1.260 -0.313 16 . 25188 6MZ O4' O4' O4' O4' . O . . N 0 . . . 1 no no . . . . 198.234 . 91.770 . -0.112 . -0.864 -0.284 -0.519 17 . 25188 6MZ C1' C1' C1' C1' . C . . R 0 . . . 1 no no . . . . 199.152 . 92.188 . -1.101 . 0.398 -0.973 -0.391 18 . 25188 6MZ C2' C2' C2' C2' . C . . R 0 . . . 1 no no . . . . 199.837 . 90.933 . -1.635 . 0.162 -1.942 0.796 19 . 25188 6MZ O2' O2' O2' O2' . O . . N 0 . . . 1 no no . . . . 199.113 . 90.419 . -2.736 . 1.040 -3.066 0.719 20 . 25188 6MZ C3' C3' C3' C3' . C . . S 0 . . . 1 no no . . . . 199.796 . 90.041 . -0.405 . -1.311 -2.375 0.574 21 . 25188 6MZ O3' O3' O3' O3' . O . . N 0 . . . 1 no no . . . . 199.941 . 88.649 . -0.671 . -1.369 -3.633 -0.100 22 . 25188 6MZ P P P P . P . . N 0 . . . 1 no no . . . . 199.470 . 90.599 . 3.984 . -4.985 1.218 -0.073 23 . 25188 6MZ O3P O3P O3P O3P . O . . N 0 . . . 1 no yes . . . . 198.265 . 91.505 . 4.523 . -5.313 2.276 -1.242 24 . 25188 6MZ H2 H2 H2 H2 . H . . N 0 . . . 1 no no . . . . 202.428 . 94.891 . -3.834 . 5.416 -1.868 -1.399 25 . 25188 6MZ H1P H1P H1P H1P . H . . N 0 . . . 1 no no . . . . 199.807 . 88.818 . 4.889 . -6.490 -0.265 -0.648 26 . 25188 6MZ H8 H8 H8 H8 . H . . N 0 . . . 1 no no . . . . 199.629 . 92.974 . 1.622 . 0.388 1.625 0.817 27 . 25188 6MZ H1' H1' H1' H1' . H . . N 0 . . . 1 no no . . . . 198.622 . 92.680 . -1.930 . 0.627 -1.527 -1.302 28 . 25188 6MZ H9C1 H9C1 H9C1 H9C1 . H . . N 0 . . . 0 no no . . . . 204.048 . 97.179 . 1.892 . 7.449 1.401 0.859 29 . 25188 6MZ H9C2 H9C2 H9C2 H9C2 . H . . N 0 . . . 0 no no . . . . 202.304 . 96.763 . 1.783 . 7.257 2.146 -0.747 30 . 25188 6MZ H5'1 H5'1 H5'1 H5'1 . H . . N 0 . . . 0 no no . . . . 198.267 . 89.061 . 1.868 . -2.754 -0.111 1.295 31 . 25188 6MZ H5'2 H5'2 H5'2 H5'2 . H . . N 0 . . . 0 no no . . . . 197.338 . 90.592 . 2.004 . -3.822 -1.379 0.648 32 . 25188 6MZ H4' H4' H4' H4' . H . . N 0 . . . 1 no no . . . . 197.673 . 89.768 . -0.344 . -2.212 -1.675 -1.271 33 . 25188 6MZ H3' H3' H3' H3' . H . . N 0 . . . 1 no no . . . . 200.573 . 90.374 . 0.299 . -1.842 -2.425 1.525 34 . 25188 6MZ H2' H2' H2' H2' . H . . N 0 . . . 1 no no . . . . 200.880 . 91.159 . -1.904 . 0.278 -1.425 1.748 35 . 25188 6MZ HA HA HA HA . H . . N 0 . . . 1 no no . . . . 199.545 . 89.639 . -3.063 . 0.931 -3.701 1.440 36 . 25188 6MZ HB HB HB HB . H . . N 0 . . . 1 no no . . . . 200.802 . 88.484 . -1.036 . -1.012 -4.371 0.414 37 . 25188 6MZ H3P H3P H3P H3P . H . . N 0 . . . 1 no no . . . . 198.615 . 92.236 . 5.018 . -6.079 2.838 -1.060 38 . 25188 6MZ H6 H6 H6 H6 . H . . N 0 . . . 1 no no . . . . 204.375 . 96.104 . -0.021 . 5.050 2.893 0.850 39 . 25188 6MZ H9 H9 H9 H9 . H . . N 0 . . . 1 no no . . . . 203.529 . 95.461 . 1.958 . 7.350 3.172 0.705 40 . 25188 6MZ stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING C4 C5 yes N 1 . 25188 6MZ 2 . SING C4 N9 yes N 2 . 25188 6MZ 3 . SING C2 N3 yes N 3 . 25188 6MZ 4 . DOUB C4 N3 yes N 4 . 25188 6MZ 5 . DOUB C2 N1 yes N 5 . 25188 6MZ 6 . DOUB C5 C6 yes N 6 . 25188 6MZ 7 . SING N1 C6 yes N 7 . 25188 6MZ 8 . SING C6 N6 no N 8 . 25188 6MZ 9 . SING N6 C9 no N 9 . 25188 6MZ 10 . SING C5 N7 yes N 10 . 25188 6MZ 11 . SING N9 C8 yes N 11 . 25188 6MZ 12 . DOUB N7 C8 yes N 12 . 25188 6MZ 13 . SING O5' C5' no N 13 . 25188 6MZ 14 . SING C1' H1' no N 14 . 25188 6MZ 15 . SING C9 H9C1 no N 15 . 25188 6MZ 16 . SING C9 H9C2 no N 16 . 25188 6MZ 17 . SING C5' H5'1 no N 17 . 25188 6MZ 18 . SING C5' H5'2 no N 18 . 25188 6MZ 19 . SING C4' H4' no N 19 . 25188 6MZ 20 . SING C3' H3' no N 20 . 25188 6MZ 21 . SING C2' H2' no N 21 . 25188 6MZ 22 . SING O2' HA no N 22 . 25188 6MZ 23 . SING O3' HB no N 23 . 25188 6MZ 24 . SING O3P H3P no N 24 . 25188 6MZ 25 . SING C5' C4' no N 25 . 25188 6MZ 26 . SING C4' O4' no N 26 . 25188 6MZ 27 . SING N9 C1' no N 27 . 25188 6MZ 28 . SING O4' C1' no N 28 . 25188 6MZ 29 . SING C1' C2' no N 29 . 25188 6MZ 30 . SING C2' O2' no N 30 . 25188 6MZ 31 . SING C4' C3' no N 31 . 25188 6MZ 32 . SING C2' C3' no N 32 . 25188 6MZ 33 . SING C3' O3' no N 33 . 25188 6MZ 34 . SING O1P P no N 34 . 25188 6MZ 35 . DOUB O2P P no N 35 . 25188 6MZ 36 . SING O5' P no N 36 . 25188 6MZ 37 . SING P O3P no N 37 . 25188 6MZ 38 . SING C2 H2 no N 38 . 25188 6MZ 39 . SING O1P H1P no N 39 . 25188 6MZ 40 . SING C8 H8 no N 40 . 25188 6MZ 41 . SING N6 H6 no N 41 . 25188 6MZ 42 . SING C9 H9 no N 42 . 25188 6MZ stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25188 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 entity_1 '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.8 . . mM . . . . 25188 1 2 "RNA (5'-R(*UP*GP*(6MA)P*CP*AP*C)-3')" 'natural abundance' . . 2 $RNA_(5'-R(*UP*GP*(6MA)P*CP*AP*C)-3') . . 0.8 . . mM . . . . 25188 1 3 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 25188 1 4 'sodium chloride' 'natural abundance' . . . . . . 25 . . mM . . . . 25188 1 5 beta-mercaptoethanol 'natural abundance' . . . . . . 10 . . mM . . . . 25188 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25188 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25188 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25188 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 entity_1 '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.8 . . mM . . . . 25188 2 2 "RNA (5'-R(*UP*GP*(6MA)P*CP*AP*C)-3')" 'natural abundance' . . 2 $RNA_(5'-R(*UP*GP*(6MA)P*CP*AP*C)-3') . . 0.8 . . mM . . . . 25188 2 3 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 25188 2 4 'sodium chloride' 'natural abundance' . . . . . . 25 . . mM . . . . 25188 2 5 beta-mercaptoethanol 'natural abundance' . . . . . . 10 . . mM . . . . 25188 2 6 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25188 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 25188 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 entity_1 '[U-99% 15N]' . . 1 $entity_1 . . 0.8 . . mM . . . . 25188 3 2 "RNA (5'-R(*UP*GP*(6MA)P*CP*AP*C)-3')" 'natural abundance' . . 2 $RNA_(5'-R(*UP*GP*(6MA)P*CP*AP*C)-3') . . 0.8 . . mM . . . . 25188 3 3 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 25188 3 4 'sodium chloride' 'natural abundance' . . . . . . 25 . . mM . . . . 25188 3 5 beta-mercaptoethanol 'natural abundance' . . . . . . 10 . . mM . . . . 25188 3 6 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25188 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 25188 _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 pH 7 . pH 25188 1 pressure 1 . atm 25188 1 temperature 303 . K 25188 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25188 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25188 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25188 1 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 25188 _Software.ID 2 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 25188 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25188 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25188 _Software.ID 3 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25188 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25188 3 processing 25188 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25188 _Software.ID 4 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25188 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25188 4 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 25188 _Software.ID 5 _Software.Name AMBER _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 25188 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25188 5 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 25188 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25188 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 25188 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 25188 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 25188 _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 Bruker Avance . 900 . . . 25188 1 2 spectrometer_2 Bruker Avance . 700 . . . 25188 1 3 spectrometer_3 Bruker Avance . 600 . . . 25188 1 4 spectrometer_4 Bruker Avance . 500 . . . 25188 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 25188 _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 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25188 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25188 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25188 1 4 '2D 1H-1H TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25188 1 5 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25188 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25188 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25188 1 8 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25188 1 9 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25188 1 10 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25188 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25188 1 12 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25188 1 13 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25188 1 14 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25188 1 15 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25188 1 16 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25188 1 17 '2D 1H -1H NOESY 13C F1-filtered F2-filtered' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25188 1 18 '3D 1H-13C NOESY 13C F1-edited F3-filtered' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25188 1 19 '2D 1H -1H NOESY 13C15N F2-filtered' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25188 1 stop_ 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 25188 _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 na indirect 0.251449530 . . . . . . . . . 25188 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25188 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25188 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 25188 _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' . . . 25188 1 2 '2D 1H-13C HSQC aliphatic' . . . 25188 1 3 '2D 1H-13C HSQC aromatic' . . . 25188 1 6 '3D CBCA(CO)NH' . . . 25188 1 7 '3D HNCO' . . . 25188 1 8 '3D HNCA' . . . 25188 1 9 '3D HNCACB' . . . 25188 1 10 '3D H(CCO)NH' . . . 25188 1 11 '3D 1H-15N NOESY' . . . 25188 1 12 '3D 1H-13C NOESY aliphatic' . . . 25188 1 13 '3D 1H-13C NOESY aromatic' . . . 25188 1 16 '3D C(CO)NH' . . . 25188 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 2 2 THR HA H 1 4.285 0.020 . 1 . . . A 348 THR HA . 25188 1 2 . 1 1 2 2 THR HB H 1 4.306 0.020 . 1 . . . A 348 THR HB . 25188 1 3 . 1 1 2 2 THR HG21 H 1 1.278 0.020 . 1 . . . A 348 THR HG21 . 25188 1 4 . 1 1 2 2 THR HG22 H 1 1.278 0.020 . 1 . . . A 348 THR HG22 . 25188 1 5 . 1 1 2 2 THR HG23 H 1 1.278 0.020 . 1 . . . A 348 THR HG23 . 25188 1 6 . 1 1 2 2 THR CA C 13 62.540 0.400 . 1 . . . A 348 THR CA . 25188 1 7 . 1 1 2 2 THR CB C 13 69.602 0.400 . 1 . . . A 348 THR CB . 25188 1 8 . 1 1 2 2 THR CG2 C 13 21.737 0.400 . 1 . . . A 348 THR CG2 . 25188 1 9 . 1 1 4 4 LYS HA H 1 4.170 0.020 . 1 . . . A 350 LYS HA . 25188 1 10 . 1 1 4 4 LYS HB2 H 1 1.856 0.020 . 2 . . . A 350 LYS HB2 . 25188 1 11 . 1 1 4 4 LYS HB3 H 1 1.856 0.020 . 2 . . . A 350 LYS HB3 . 25188 1 12 . 1 1 4 4 LYS HG2 H 1 1.363 0.020 . 2 . . . A 350 LYS HG2 . 25188 1 13 . 1 1 4 4 LYS HG3 H 1 1.363 0.020 . 2 . . . A 350 LYS HG3 . 25188 1 14 . 1 1 4 4 LYS HE2 H 1 2.927 0.020 . 2 . . . A 350 LYS HE2 . 25188 1 15 . 1 1 4 4 LYS HE3 H 1 2.927 0.020 . 2 . . . A 350 LYS HE3 . 25188 1 16 . 1 1 4 4 LYS CA C 13 58.474 0.400 . 1 . . . A 350 LYS CA . 25188 1 17 . 1 1 4 4 LYS CB C 13 32.279 0.400 . 1 . . . A 350 LYS CB . 25188 1 18 . 1 1 4 4 LYS CG C 13 24.929 0.400 . 1 . . . A 350 LYS CG . 25188 1 19 . 1 1 5 5 LEU H H 1 8.024 0.020 . 1 . . . A 351 LEU H . 25188 1 20 . 1 1 5 5 LEU HA H 1 4.100 0.020 . 1 . . . A 351 LEU HA . 25188 1 21 . 1 1 5 5 LEU HB2 H 1 1.668 0.020 . 2 . . . A 351 LEU HB2 . 25188 1 22 . 1 1 5 5 LEU HB3 H 1 1.668 0.020 . 2 . . . A 351 LEU HB3 . 25188 1 23 . 1 1 5 5 LEU HG H 1 1.557 0.020 . 1 . . . A 351 LEU HG . 25188 1 24 . 1 1 5 5 LEU HD11 H 1 1.016 0.020 . 2 . . . A 351 LEU HD11 . 25188 1 25 . 1 1 5 5 LEU HD12 H 1 1.016 0.020 . 2 . . . A 351 LEU HD12 . 25188 1 26 . 1 1 5 5 LEU HD13 H 1 1.016 0.020 . 2 . . . A 351 LEU HD13 . 25188 1 27 . 1 1 5 5 LEU HD21 H 1 0.952 0.020 . 2 . . . A 351 LEU HD21 . 25188 1 28 . 1 1 5 5 LEU HD22 H 1 0.952 0.020 . 2 . . . A 351 LEU HD22 . 25188 1 29 . 1 1 5 5 LEU HD23 H 1 0.952 0.020 . 2 . . . A 351 LEU HD23 . 25188 1 30 . 1 1 5 5 LEU C C 13 177.903 0.400 . 1 . . . A 351 LEU C . 25188 1 31 . 1 1 5 5 LEU CA C 13 57.512 0.400 . 1 . . . A 351 LEU CA . 25188 1 32 . 1 1 5 5 LEU CB C 13 41.589 0.400 . 1 . . . A 351 LEU CB . 25188 1 33 . 1 1 5 5 LEU CG C 13 27.167 0.400 . 1 . . . A 351 LEU CG . 25188 1 34 . 1 1 5 5 LEU CD1 C 13 24.368 0.400 . 1 . . . A 351 LEU CD1 . 25188 1 35 . 1 1 5 5 LEU CD2 C 13 25.331 0.400 . 1 . . . A 351 LEU CD2 . 25188 1 36 . 1 1 5 5 LEU N N 15 120.213 0.400 . 1 . . . A 351 LEU N . 25188 1 37 . 1 1 6 6 LYS H H 1 8.058 0.020 . 1 . . . A 352 LYS H . 25188 1 38 . 1 1 6 6 LYS HA H 1 3.787 0.020 . 1 . . . A 352 LYS HA . 25188 1 39 . 1 1 6 6 LYS HB2 H 1 1.820 0.020 . 2 . . . A 352 LYS HB2 . 25188 1 40 . 1 1 6 6 LYS HB3 H 1 1.820 0.020 . 2 . . . A 352 LYS HB3 . 25188 1 41 . 1 1 6 6 LYS HG2 H 1 1.509 0.020 . 1 . . . A 352 LYS HG2 . 25188 1 42 . 1 1 6 6 LYS HG3 H 1 1.346 0.020 . 1 . . . A 352 LYS HG3 . 25188 1 43 . 1 1 6 6 LYS HD2 H 1 1.647 0.020 . 2 . . . A 352 LYS HD2 . 25188 1 44 . 1 1 6 6 LYS HD3 H 1 1.647 0.020 . 2 . . . A 352 LYS HD3 . 25188 1 45 . 1 1 6 6 LYS HE2 H 1 2.911 0.020 . 2 . . . A 352 LYS HE2 . 25188 1 46 . 1 1 6 6 LYS HE3 H 1 2.911 0.020 . 2 . . . A 352 LYS HE3 . 25188 1 47 . 1 1 6 6 LYS C C 13 179.038 0.400 . 1 . . . A 352 LYS C . 25188 1 48 . 1 1 6 6 LYS CA C 13 59.975 0.400 . 1 . . . A 352 LYS CA . 25188 1 49 . 1 1 6 6 LYS CB C 13 31.965 0.400 . 1 . . . A 352 LYS CB . 25188 1 50 . 1 1 6 6 LYS CG C 13 25.915 0.400 . 1 . . . A 352 LYS CG . 25188 1 51 . 1 1 6 6 LYS CD C 13 29.116 0.400 . 1 . . . A 352 LYS CD . 25188 1 52 . 1 1 6 6 LYS CE C 13 42.185 0.400 . 1 . . . A 352 LYS CE . 25188 1 53 . 1 1 6 6 LYS N N 15 116.917 0.400 . 1 . . . A 352 LYS N . 25188 1 54 . 1 1 7 7 SER H H 1 7.844 0.020 . 1 . . . A 353 SER H . 25188 1 55 . 1 1 7 7 SER HA H 1 4.260 0.020 . 1 . . . A 353 SER HA . 25188 1 56 . 1 1 7 7 SER HB2 H 1 3.952 0.020 . 2 . . . A 353 SER HB2 . 25188 1 57 . 1 1 7 7 SER HB3 H 1 3.952 0.020 . 2 . . . A 353 SER HB3 . 25188 1 58 . 1 1 7 7 SER C C 13 176.897 0.400 . 1 . . . A 353 SER C . 25188 1 59 . 1 1 7 7 SER CA C 13 61.161 0.400 . 1 . . . A 353 SER CA . 25188 1 60 . 1 1 7 7 SER CB C 13 63.077 0.400 . 1 . . . A 353 SER CB . 25188 1 61 . 1 1 7 7 SER N N 15 112.249 0.400 . 1 . . . A 353 SER N . 25188 1 62 . 1 1 8 8 VAL H H 1 7.685 0.020 . 1 . . . A 354 VAL H . 25188 1 63 . 1 1 8 8 VAL HA H 1 4.017 0.020 . 1 . . . A 354 VAL HA . 25188 1 64 . 1 1 8 8 VAL HB H 1 2.213 0.020 . 1 . . . A 354 VAL HB . 25188 1 65 . 1 1 8 8 VAL HG11 H 1 0.965 0.020 . 2 . . . A 354 VAL HG11 . 25188 1 66 . 1 1 8 8 VAL HG12 H 1 0.965 0.020 . 2 . . . A 354 VAL HG12 . 25188 1 67 . 1 1 8 8 VAL HG13 H 1 0.965 0.020 . 2 . . . A 354 VAL HG13 . 25188 1 68 . 1 1 8 8 VAL HG21 H 1 1.051 0.020 . 2 . . . A 354 VAL HG21 . 25188 1 69 . 1 1 8 8 VAL HG22 H 1 1.051 0.020 . 2 . . . A 354 VAL HG22 . 25188 1 70 . 1 1 8 8 VAL HG23 H 1 1.051 0.020 . 2 . . . A 354 VAL HG23 . 25188 1 71 . 1 1 8 8 VAL C C 13 176.094 0.400 . 1 . . . A 354 VAL C . 25188 1 72 . 1 1 8 8 VAL CA C 13 63.999 0.400 . 1 . . . A 354 VAL CA . 25188 1 73 . 1 1 8 8 VAL CB C 13 31.878 0.400 . 1 . . . A 354 VAL CB . 25188 1 74 . 1 1 8 8 VAL CG1 C 13 20.956 0.400 . 1 . . . A 354 VAL CG1 . 25188 1 75 . 1 1 8 8 VAL CG2 C 13 21.201 0.400 . 1 . . . A 354 VAL CG2 . 25188 1 76 . 1 1 8 8 VAL N N 15 119.186 0.400 . 1 . . . A 354 VAL N . 25188 1 77 . 1 1 9 9 LEU H H 1 7.422 0.020 . 1 . . . A 355 LEU H . 25188 1 78 . 1 1 9 9 LEU HA H 1 4.037 0.020 . 1 . . . A 355 LEU HA . 25188 1 79 . 1 1 9 9 LEU HB2 H 1 1.758 0.020 . 1 . . . A 355 LEU HB2 . 25188 1 80 . 1 1 9 9 LEU HB3 H 1 1.642 0.020 . 1 . . . A 355 LEU HB3 . 25188 1 81 . 1 1 9 9 LEU HG H 1 2.029 0.020 . 1 . . . A 355 LEU HG . 25188 1 82 . 1 1 9 9 LEU HD11 H 1 0.812 0.020 . 2 . . . A 355 LEU HD11 . 25188 1 83 . 1 1 9 9 LEU HD12 H 1 0.812 0.020 . 2 . . . A 355 LEU HD12 . 25188 1 84 . 1 1 9 9 LEU HD13 H 1 0.812 0.020 . 2 . . . A 355 LEU HD13 . 25188 1 85 . 1 1 9 9 LEU HD21 H 1 0.791 0.020 . 2 . . . A 355 LEU HD21 . 25188 1 86 . 1 1 9 9 LEU HD22 H 1 0.791 0.020 . 2 . . . A 355 LEU HD22 . 25188 1 87 . 1 1 9 9 LEU HD23 H 1 0.791 0.020 . 2 . . . A 355 LEU HD23 . 25188 1 88 . 1 1 9 9 LEU C C 13 177.550 0.400 . 1 . . . A 355 LEU C . 25188 1 89 . 1 1 9 9 LEU CA C 13 54.949 0.400 . 1 . . . A 355 LEU CA . 25188 1 90 . 1 1 9 9 LEU CB C 13 41.746 0.400 . 1 . . . A 355 LEU CB . 25188 1 91 . 1 1 9 9 LEU CG C 13 25.827 0.400 . 1 . . . A 355 LEU CG . 25188 1 92 . 1 1 9 9 LEU CD1 C 13 26.646 0.400 . 1 . . . A 355 LEU CD1 . 25188 1 93 . 1 1 9 9 LEU CD2 C 13 22.483 0.400 . 1 . . . A 355 LEU CD2 . 25188 1 94 . 1 1 9 9 LEU N N 15 115.840 0.400 . 1 . . . A 355 LEU N . 25188 1 95 . 1 1 10 10 GLN H H 1 7.068 0.020 . 1 . . . A 356 GLN H . 25188 1 96 . 1 1 10 10 GLN HA H 1 3.962 0.020 . 1 . . . A 356 GLN HA . 25188 1 97 . 1 1 10 10 GLN HB2 H 1 1.929 0.020 . 1 . . . A 356 GLN HB2 . 25188 1 98 . 1 1 10 10 GLN HB3 H 1 2.092 0.020 . 1 . . . A 356 GLN HB3 . 25188 1 99 . 1 1 10 10 GLN HG2 H 1 2.302 0.020 . 2 . . . A 356 GLN HG2 . 25188 1 100 . 1 1 10 10 GLN HG3 H 1 2.388 0.020 . 2 . . . A 356 GLN HG3 . 25188 1 101 . 1 1 10 10 GLN HE21 H 1 6.784 0.020 . 1 . . . A 356 GLN HE21 . 25188 1 102 . 1 1 10 10 GLN HE22 H 1 7.506 0.020 . 1 . . . A 356 GLN HE22 . 25188 1 103 . 1 1 10 10 GLN C C 13 175.804 0.400 . 1 . . . A 356 GLN C . 25188 1 104 . 1 1 10 10 GLN CA C 13 57.267 0.400 . 1 . . . A 356 GLN CA . 25188 1 105 . 1 1 10 10 GLN CB C 13 28.681 0.400 . 1 . . . A 356 GLN CB . 25188 1 106 . 1 1 10 10 GLN CG C 13 33.160 0.400 . 1 . . . A 356 GLN CG . 25188 1 107 . 1 1 10 10 GLN N N 15 119.443 0.400 . 1 . . . A 356 GLN N . 25188 1 108 . 1 1 10 10 GLN NE2 N 15 112.260 0.400 . 1 . . . A 356 GLN NE2 . 25188 1 109 . 1 1 11 11 ASP H H 1 9.042 0.020 . 1 . . . A 357 ASP H . 25188 1 110 . 1 1 11 11 ASP HA H 1 4.309 0.020 . 1 . . . A 357 ASP HA . 25188 1 111 . 1 1 11 11 ASP HB2 H 1 2.622 0.020 . 1 . . . A 357 ASP HB2 . 25188 1 112 . 1 1 11 11 ASP HB3 H 1 2.917 0.020 . 1 . . . A 357 ASP HB3 . 25188 1 113 . 1 1 11 11 ASP C C 13 173.997 0.400 . 1 . . . A 357 ASP C . 25188 1 114 . 1 1 11 11 ASP CA C 13 55.237 0.400 . 1 . . . A 357 ASP CA . 25188 1 115 . 1 1 11 11 ASP CB C 13 40.328 0.400 . 1 . . . A 357 ASP CB . 25188 1 116 . 1 1 11 11 ASP N N 15 121.863 0.400 . 1 . . . A 357 ASP N . 25188 1 117 . 1 1 12 12 ALA H H 1 6.955 0.020 . 1 . . . A 358 ALA H . 25188 1 118 . 1 1 12 12 ALA HA H 1 4.611 0.020 . 1 . . . A 358 ALA HA . 25188 1 119 . 1 1 12 12 ALA HB1 H 1 0.625 0.020 . 1 . . . A 358 ALA HB1 . 25188 1 120 . 1 1 12 12 ALA HB2 H 1 0.625 0.020 . 1 . . . A 358 ALA HB2 . 25188 1 121 . 1 1 12 12 ALA HB3 H 1 0.625 0.020 . 1 . . . A 358 ALA HB3 . 25188 1 122 . 1 1 12 12 ALA C C 13 177.500 0.400 . 1 . . . A 358 ALA C . 25188 1 123 . 1 1 12 12 ALA CA C 13 51.476 0.400 . 1 . . . A 358 ALA CA . 25188 1 124 . 1 1 12 12 ALA CB C 13 20.108 0.400 . 1 . . . A 358 ALA CB . 25188 1 125 . 1 1 12 12 ALA N N 15 119.763 0.400 . 1 . . . A 358 ALA N . 25188 1 126 . 1 1 13 13 ARG H H 1 7.749 0.020 . 1 . . . A 359 ARG H . 25188 1 127 . 1 1 13 13 ARG HA H 1 4.623 0.020 . 1 . . . A 359 ARG HA . 25188 1 128 . 1 1 13 13 ARG HB2 H 1 1.308 0.020 . 1 . . . A 359 ARG HB2 . 25188 1 129 . 1 1 13 13 ARG HB3 H 1 1.897 0.020 . 1 . . . A 359 ARG HB3 . 25188 1 130 . 1 1 13 13 ARG HG2 H 1 1.724 0.020 . 1 . . . A 359 ARG HG2 . 25188 1 131 . 1 1 13 13 ARG HG3 H 1 1.771 0.020 . 1 . . . A 359 ARG HG3 . 25188 1 132 . 1 1 13 13 ARG HD2 H 1 3.025 0.020 . 2 . . . A 359 ARG HD2 . 25188 1 133 . 1 1 13 13 ARG HD3 H 1 3.430 0.020 . 2 . . . A 359 ARG HD3 . 25188 1 134 . 1 1 13 13 ARG HE H 1 8.275 0.020 . 1 . . . A 359 ARG HE . 25188 1 135 . 1 1 13 13 ARG C C 13 174.269 0.400 . 1 . . . A 359 ARG C . 25188 1 136 . 1 1 13 13 ARG CA C 13 54.279 0.400 . 1 . . . A 359 ARG CA . 25188 1 137 . 1 1 13 13 ARG CB C 13 33.639 0.400 . 1 . . . A 359 ARG CB . 25188 1 138 . 1 1 13 13 ARG CG C 13 26.868 0.400 . 1 . . . A 359 ARG CG . 25188 1 139 . 1 1 13 13 ARG CD C 13 43.867 0.400 . 1 . . . A 359 ARG CD . 25188 1 140 . 1 1 13 13 ARG N N 15 114.874 0.400 . 1 . . . A 359 ARG N . 25188 1 141 . 1 1 13 13 ARG NE N 15 85.025 0.400 . 1 . . . A 359 ARG NE . 25188 1 142 . 1 1 14 14 PHE H H 1 8.975 0.020 . 1 . . . A 360 PHE H . 25188 1 143 . 1 1 14 14 PHE HA H 1 5.268 0.020 . 1 . . . A 360 PHE HA . 25188 1 144 . 1 1 14 14 PHE HB2 H 1 2.983 0.020 . 1 . . . A 360 PHE HB2 . 25188 1 145 . 1 1 14 14 PHE HB3 H 1 2.218 0.020 . 1 . . . A 360 PHE HB3 . 25188 1 146 . 1 1 14 14 PHE HD1 H 1 6.696 0.020 . 1 . . . A 360 PHE HD1 . 25188 1 147 . 1 1 14 14 PHE HD2 H 1 6.696 0.020 . 1 . . . A 360 PHE HD2 . 25188 1 148 . 1 1 14 14 PHE HE1 H 1 7.148 0.020 . 1 . . . A 360 PHE HE1 . 25188 1 149 . 1 1 14 14 PHE HE2 H 1 7.148 0.020 . 1 . . . A 360 PHE HE2 . 25188 1 150 . 1 1 14 14 PHE HZ H 1 7.019 0.020 . 1 . . . A 360 PHE HZ . 25188 1 151 . 1 1 14 14 PHE C C 13 174.957 0.400 . 1 . . . A 360 PHE C . 25188 1 152 . 1 1 14 14 PHE CA C 13 56.423 0.400 . 1 . . . A 360 PHE CA . 25188 1 153 . 1 1 14 14 PHE CB C 13 43.358 0.400 . 1 . . . A 360 PHE CB . 25188 1 154 . 1 1 14 14 PHE CD1 C 13 130.645 0.400 . 1 . . . A 360 PHE CD1 . 25188 1 155 . 1 1 14 14 PHE CE1 C 13 131.336 0.400 . 1 . . . A 360 PHE CE1 . 25188 1 156 . 1 1 14 14 PHE CZ C 13 128.560 0.400 . 1 . . . A 360 PHE CZ . 25188 1 157 . 1 1 14 14 PHE N N 15 119.607 0.400 . 1 . . . A 360 PHE N . 25188 1 158 . 1 1 15 15 PHE H H 1 9.111 0.020 . 1 . . . A 361 PHE H . 25188 1 159 . 1 1 15 15 PHE HA H 1 4.929 0.020 . 1 . . . A 361 PHE HA . 25188 1 160 . 1 1 15 15 PHE HB2 H 1 2.376 0.020 . 1 . . . A 361 PHE HB2 . 25188 1 161 . 1 1 15 15 PHE HB3 H 1 2.400 0.020 . 1 . . . A 361 PHE HB3 . 25188 1 162 . 1 1 15 15 PHE HD1 H 1 6.890 0.020 . 1 . . . A 361 PHE HD1 . 25188 1 163 . 1 1 15 15 PHE HD2 H 1 6.890 0.020 . 1 . . . A 361 PHE HD2 . 25188 1 164 . 1 1 15 15 PHE HE1 H 1 6.967 0.020 . 1 . . . A 361 PHE HE1 . 25188 1 165 . 1 1 15 15 PHE HE2 H 1 6.967 0.020 . 1 . . . A 361 PHE HE2 . 25188 1 166 . 1 1 15 15 PHE C C 13 173.329 0.400 . 1 . . . A 361 PHE C . 25188 1 167 . 1 1 15 15 PHE CA C 13 56.478 0.400 . 1 . . . A 361 PHE CA . 25188 1 168 . 1 1 15 15 PHE CB C 13 42.471 0.400 . 1 . . . A 361 PHE CB . 25188 1 169 . 1 1 15 15 PHE CD1 C 13 131.124 0.400 . 1 . . . A 361 PHE CD1 . 25188 1 170 . 1 1 15 15 PHE CE1 C 13 129.797 0.400 . 1 . . . A 361 PHE CE1 . 25188 1 171 . 1 1 15 15 PHE N N 15 119.346 0.400 . 1 . . . A 361 PHE N . 25188 1 172 . 1 1 16 16 LEU H H 1 9.005 0.020 . 1 . . . A 362 LEU H . 25188 1 173 . 1 1 16 16 LEU HA H 1 4.604 0.020 . 1 . . . A 362 LEU HA . 25188 1 174 . 1 1 16 16 LEU HB2 H 1 2.033 0.020 . 1 . . . A 362 LEU HB2 . 25188 1 175 . 1 1 16 16 LEU HB3 H 1 1.194 0.020 . 1 . . . A 362 LEU HB3 . 25188 1 176 . 1 1 16 16 LEU HG H 1 1.333 0.020 . 1 . . . A 362 LEU HG . 25188 1 177 . 1 1 16 16 LEU HD11 H 1 0.993 0.020 . 2 . . . A 362 LEU HD11 . 25188 1 178 . 1 1 16 16 LEU HD12 H 1 0.993 0.020 . 2 . . . A 362 LEU HD12 . 25188 1 179 . 1 1 16 16 LEU HD13 H 1 0.993 0.020 . 2 . . . A 362 LEU HD13 . 25188 1 180 . 1 1 16 16 LEU HD21 H 1 0.805 0.020 . 2 . . . A 362 LEU HD21 . 25188 1 181 . 1 1 16 16 LEU HD22 H 1 0.805 0.020 . 2 . . . A 362 LEU HD22 . 25188 1 182 . 1 1 16 16 LEU HD23 H 1 0.805 0.020 . 2 . . . A 362 LEU HD23 . 25188 1 183 . 1 1 16 16 LEU C C 13 174.016 0.400 . 1 . . . A 362 LEU C . 25188 1 184 . 1 1 16 16 LEU CA C 13 54.128 0.400 . 1 . . . A 362 LEU CA . 25188 1 185 . 1 1 16 16 LEU CB C 13 44.265 0.400 . 1 . . . A 362 LEU CB . 25188 1 186 . 1 1 16 16 LEU CG C 13 27.276 0.400 . 1 . . . A 362 LEU CG . 25188 1 187 . 1 1 16 16 LEU CD1 C 13 23.322 0.400 . 1 . . . A 362 LEU CD1 . 25188 1 188 . 1 1 16 16 LEU CD2 C 13 25.713 0.400 . 1 . . . A 362 LEU CD2 . 25188 1 189 . 1 1 16 16 LEU N N 15 125.607 0.400 . 1 . . . A 362 LEU N . 25188 1 190 . 1 1 17 17 ILE H H 1 8.980 0.020 . 1 . . . A 363 ILE H . 25188 1 191 . 1 1 17 17 ILE HA H 1 4.538 0.020 . 1 . . . A 363 ILE HA . 25188 1 192 . 1 1 17 17 ILE HB H 1 0.451 0.020 . 1 . . . A 363 ILE HB . 25188 1 193 . 1 1 17 17 ILE HG12 H 1 0.906 0.020 . 2 . . . A 363 ILE HG12 . 25188 1 194 . 1 1 17 17 ILE HG13 H 1 0.906 0.020 . 2 . . . A 363 ILE HG13 . 25188 1 195 . 1 1 17 17 ILE HG21 H 1 -0.055 0.020 . 1 . . . A 363 ILE HG21 . 25188 1 196 . 1 1 17 17 ILE HG22 H 1 -0.055 0.020 . 1 . . . A 363 ILE HG22 . 25188 1 197 . 1 1 17 17 ILE HG23 H 1 -0.055 0.020 . 1 . . . A 363 ILE HG23 . 25188 1 198 . 1 1 17 17 ILE HD11 H 1 0.469 0.020 . 1 . . . A 363 ILE HD11 . 25188 1 199 . 1 1 17 17 ILE HD12 H 1 0.469 0.020 . 1 . . . A 363 ILE HD12 . 25188 1 200 . 1 1 17 17 ILE HD13 H 1 0.469 0.020 . 1 . . . A 363 ILE HD13 . 25188 1 201 . 1 1 17 17 ILE C C 13 175.051 0.400 . 1 . . . A 363 ILE C . 25188 1 202 . 1 1 17 17 ILE CA C 13 55.741 0.400 . 1 . . . A 363 ILE CA . 25188 1 203 . 1 1 17 17 ILE CB C 13 37.090 0.400 . 1 . . . A 363 ILE CB . 25188 1 204 . 1 1 17 17 ILE CG1 C 13 27.012 0.400 . 1 . . . A 363 ILE CG1 . 25188 1 205 . 1 1 17 17 ILE CG2 C 13 18.676 0.400 . 1 . . . A 363 ILE CG2 . 25188 1 206 . 1 1 17 17 ILE CD1 C 13 7.724 0.400 . 1 . . . A 363 ILE CD1 . 25188 1 207 . 1 1 17 17 ILE N N 15 129.378 0.400 . 1 . . . A 363 ILE N . 25188 1 208 . 1 1 18 18 LYS H H 1 9.255 0.020 . 1 . . . A 364 LYS H . 25188 1 209 . 1 1 18 18 LYS HA H 1 5.481 0.020 . 1 . . . A 364 LYS HA . 25188 1 210 . 1 1 18 18 LYS HB2 H 1 1.465 0.020 . 1 . . . A 364 LYS HB2 . 25188 1 211 . 1 1 18 18 LYS HB3 H 1 1.746 0.020 . 1 . . . A 364 LYS HB3 . 25188 1 212 . 1 1 18 18 LYS HG2 H 1 1.437 0.020 . 1 . . . A 364 LYS HG2 . 25188 1 213 . 1 1 18 18 LYS HG3 H 1 1.832 0.020 . 1 . . . A 364 LYS HG3 . 25188 1 214 . 1 1 18 18 LYS HD2 H 1 1.764 0.020 . 2 . . . A 364 LYS HD2 . 25188 1 215 . 1 1 18 18 LYS HD3 H 1 2.326 0.020 . 2 . . . A 364 LYS HD3 . 25188 1 216 . 1 1 18 18 LYS HE2 H 1 3.110 0.020 . 2 . . . A 364 LYS HE2 . 25188 1 217 . 1 1 18 18 LYS HE3 H 1 3.110 0.020 . 2 . . . A 364 LYS HE3 . 25188 1 218 . 1 1 18 18 LYS C C 13 173.706 0.400 . 1 . . . A 364 LYS C . 25188 1 219 . 1 1 18 18 LYS CA C 13 50.279 0.400 . 1 . . . A 364 LYS CA . 25188 1 220 . 1 1 18 18 LYS CB C 13 31.234 0.400 . 1 . . . A 364 LYS CB . 25188 1 221 . 1 1 18 18 LYS CG C 13 23.886 0.400 . 1 . . . A 364 LYS CG . 25188 1 222 . 1 1 18 18 LYS CD C 13 25.996 0.400 . 1 . . . A 364 LYS CD . 25188 1 223 . 1 1 18 18 LYS CE C 13 42.424 0.400 . 1 . . . A 364 LYS CE . 25188 1 224 . 1 1 18 18 LYS N N 15 125.419 0.400 . 1 . . . A 364 LYS N . 25188 1 225 . 1 1 19 19 SER H H 1 6.465 0.020 . 1 . . . A 365 SER H . 25188 1 226 . 1 1 19 19 SER HA H 1 3.830 0.020 . 1 . . . A 365 SER HA . 25188 1 227 . 1 1 19 19 SER HB2 H 1 3.277 0.020 . 2 . . . A 365 SER HB2 . 25188 1 228 . 1 1 19 19 SER HB3 H 1 3.417 0.020 . 2 . . . A 365 SER HB3 . 25188 1 229 . 1 1 19 19 SER C C 13 176.937 0.400 . 1 . . . A 365 SER C . 25188 1 230 . 1 1 19 19 SER CA C 13 53.266 0.400 . 1 . . . A 365 SER CA . 25188 1 231 . 1 1 19 19 SER CB C 13 66.038 0.400 . 1 . . . A 365 SER CB . 25188 1 232 . 1 1 19 19 SER N N 15 105.270 0.400 . 1 . . . A 365 SER N . 25188 1 233 . 1 1 20 20 ASN H H 1 10.060 0.020 . 1 . . . A 366 ASN H . 25188 1 234 . 1 1 20 20 ASN HA H 1 4.750 0.020 . 1 . . . A 366 ASN HA . 25188 1 235 . 1 1 20 20 ASN HB2 H 1 3.032 0.020 . 2 . . . A 366 ASN HB2 . 25188 1 236 . 1 1 20 20 ASN HB3 H 1 3.375 0.020 . 2 . . . A 366 ASN HB3 . 25188 1 237 . 1 1 20 20 ASN HD21 H 1 7.239 0.020 . 1 . . . A 366 ASN HD21 . 25188 1 238 . 1 1 20 20 ASN HD22 H 1 7.576 0.020 . 1 . . . A 366 ASN HD22 . 25188 1 239 . 1 1 20 20 ASN CA C 13 54.382 0.400 . 1 . . . A 366 ASN CA . 25188 1 240 . 1 1 20 20 ASN CB C 13 38.115 0.400 . 1 . . . A 366 ASN CB . 25188 1 241 . 1 1 20 20 ASN N N 15 127.222 0.400 . 1 . . . A 366 ASN N . 25188 1 242 . 1 1 20 20 ASN ND2 N 15 111.615 0.400 . 1 . . . A 366 ASN ND2 . 25188 1 243 . 1 1 21 21 ASN H H 1 8.180 0.020 . 1 . . . A 367 ASN H . 25188 1 244 . 1 1 21 21 ASN HA H 1 5.078 0.020 . 1 . . . A 367 ASN HA . 25188 1 245 . 1 1 21 21 ASN HB2 H 1 2.944 0.020 . 2 . . . A 367 ASN HB2 . 25188 1 246 . 1 1 21 21 ASN HB3 H 1 3.604 0.020 . 2 . . . A 367 ASN HB3 . 25188 1 247 . 1 1 21 21 ASN HD21 H 1 7.847 0.020 . 1 . . . A 367 ASN HD21 . 25188 1 248 . 1 1 21 21 ASN HD22 H 1 6.482 0.020 . 1 . . . A 367 ASN HD22 . 25188 1 249 . 1 1 21 21 ASN CA C 13 51.938 0.400 . 1 . . . A 367 ASN CA . 25188 1 250 . 1 1 21 21 ASN CB C 13 41.274 0.400 . 1 . . . A 367 ASN CB . 25188 1 251 . 1 1 21 21 ASN N N 15 112.125 0.400 . 1 . . . A 367 ASN N . 25188 1 252 . 1 1 21 21 ASN ND2 N 15 111.763 0.400 . 1 . . . A 367 ASN ND2 . 25188 1 253 . 1 1 22 22 HIS HA H 1 4.333 0.020 . 1 . . . A 368 HIS HA . 25188 1 254 . 1 1 22 22 HIS HB2 H 1 3.020 0.020 . 1 . . . A 368 HIS HB2 . 25188 1 255 . 1 1 22 22 HIS HB3 H 1 3.085 0.020 . 1 . . . A 368 HIS HB3 . 25188 1 256 . 1 1 22 22 HIS HD2 H 1 7.165 0.020 . 1 . . . A 368 HIS HD2 . 25188 1 257 . 1 1 22 22 HIS HE1 H 1 7.548 0.020 . 1 . . . A 368 HIS HE1 . 25188 1 258 . 1 1 22 22 HIS C C 13 178.715 0.400 . 1 . . . A 368 HIS C . 25188 1 259 . 1 1 22 22 HIS CA C 13 59.472 0.400 . 1 . . . A 368 HIS CA . 25188 1 260 . 1 1 22 22 HIS CB C 13 31.436 0.400 . 1 . . . A 368 HIS CB . 25188 1 261 . 1 1 22 22 HIS CD2 C 13 119.145 0.400 . 1 . . . A 368 HIS CD2 . 25188 1 262 . 1 1 22 22 HIS CE1 C 13 137.137 0.400 . 1 . . . A 368 HIS CE1 . 25188 1 263 . 1 1 23 23 GLU H H 1 10.248 0.020 . 1 . . . A 369 GLU H . 25188 1 264 . 1 1 23 23 GLU HA H 1 4.074 0.020 . 1 . . . A 369 GLU HA . 25188 1 265 . 1 1 23 23 GLU HB2 H 1 2.007 0.020 . 2 . . . A 369 GLU HB2 . 25188 1 266 . 1 1 23 23 GLU HB3 H 1 2.007 0.020 . 2 . . . A 369 GLU HB3 . 25188 1 267 . 1 1 23 23 GLU HG2 H 1 2.442 0.020 . 2 . . . A 369 GLU HG2 . 25188 1 268 . 1 1 23 23 GLU HG3 H 1 2.685 0.020 . 2 . . . A 369 GLU HG3 . 25188 1 269 . 1 1 23 23 GLU C C 13 180.139 0.400 . 1 . . . A 369 GLU C . 25188 1 270 . 1 1 23 23 GLU CA C 13 61.829 0.400 . 1 . . . A 369 GLU CA . 25188 1 271 . 1 1 23 23 GLU CB C 13 28.763 0.400 . 1 . . . A 369 GLU CB . 25188 1 272 . 1 1 23 23 GLU CG C 13 37.865 0.400 . 1 . . . A 369 GLU CG . 25188 1 273 . 1 1 23 23 GLU N N 15 124.076 0.400 . 1 . . . A 369 GLU N . 25188 1 274 . 1 1 24 24 ASN H H 1 9.055 0.020 . 1 . . . A 370 ASN H . 25188 1 275 . 1 1 24 24 ASN HA H 1 5.215 0.020 . 1 . . . A 370 ASN HA . 25188 1 276 . 1 1 24 24 ASN HB2 H 1 3.287 0.020 . 1 . . . A 370 ASN HB2 . 25188 1 277 . 1 1 24 24 ASN HB3 H 1 3.221 0.020 . 1 . . . A 370 ASN HB3 . 25188 1 278 . 1 1 24 24 ASN HD21 H 1 10.077 0.020 . 1 . . . A 370 ASN HD21 . 25188 1 279 . 1 1 24 24 ASN HD22 H 1 7.710 0.020 . 1 . . . A 370 ASN HD22 . 25188 1 280 . 1 1 24 24 ASN C C 13 178.685 0.400 . 1 . . . A 370 ASN C . 25188 1 281 . 1 1 24 24 ASN CA C 13 55.950 0.400 . 1 . . . A 370 ASN CA . 25188 1 282 . 1 1 24 24 ASN CB C 13 37.157 0.400 . 1 . . . A 370 ASN CB . 25188 1 283 . 1 1 24 24 ASN N N 15 118.192 0.400 . 1 . . . A 370 ASN N . 25188 1 284 . 1 1 24 24 ASN ND2 N 15 109.451 0.400 . 1 . . . A 370 ASN ND2 . 25188 1 285 . 1 1 25 25 VAL H H 1 7.195 0.020 . 1 . . . A 371 VAL H . 25188 1 286 . 1 1 25 25 VAL HA H 1 3.969 0.020 . 1 . . . A 371 VAL HA . 25188 1 287 . 1 1 25 25 VAL HB H 1 2.253 0.020 . 1 . . . A 371 VAL HB . 25188 1 288 . 1 1 25 25 VAL HG11 H 1 1.046 0.020 . 2 . . . A 371 VAL HG11 . 25188 1 289 . 1 1 25 25 VAL HG12 H 1 1.046 0.020 . 2 . . . A 371 VAL HG12 . 25188 1 290 . 1 1 25 25 VAL HG13 H 1 1.046 0.020 . 2 . . . A 371 VAL HG13 . 25188 1 291 . 1 1 25 25 VAL HG21 H 1 0.690 0.020 . 2 . . . A 371 VAL HG21 . 25188 1 292 . 1 1 25 25 VAL HG22 H 1 0.690 0.020 . 2 . . . A 371 VAL HG22 . 25188 1 293 . 1 1 25 25 VAL HG23 H 1 0.690 0.020 . 2 . . . A 371 VAL HG23 . 25188 1 294 . 1 1 25 25 VAL C C 13 177.322 0.400 . 1 . . . A 371 VAL C . 25188 1 295 . 1 1 25 25 VAL CA C 13 66.705 0.400 . 1 . . . A 371 VAL CA . 25188 1 296 . 1 1 25 25 VAL CB C 13 30.971 0.400 . 1 . . . A 371 VAL CB . 25188 1 297 . 1 1 25 25 VAL CG1 C 13 24.124 0.400 . 1 . . . A 371 VAL CG1 . 25188 1 298 . 1 1 25 25 VAL CG2 C 13 21.178 0.400 . 1 . . . A 371 VAL CG2 . 25188 1 299 . 1 1 25 25 VAL N N 15 121.762 0.400 . 1 . . . A 371 VAL N . 25188 1 300 . 1 1 26 26 SER H H 1 8.386 0.020 . 1 . . . A 372 SER H . 25188 1 301 . 1 1 26 26 SER HA H 1 4.056 0.020 . 1 . . . A 372 SER HA . 25188 1 302 . 1 1 26 26 SER HB2 H 1 3.984 0.020 . 2 . . . A 372 SER HB2 . 25188 1 303 . 1 1 26 26 SER HB3 H 1 3.984 0.020 . 2 . . . A 372 SER HB3 . 25188 1 304 . 1 1 26 26 SER C C 13 177.806 0.400 . 1 . . . A 372 SER C . 25188 1 305 . 1 1 26 26 SER CA C 13 62.119 0.400 . 1 . . . A 372 SER CA . 25188 1 306 . 1 1 26 26 SER CB C 13 62.027 0.400 . 1 . . . A 372 SER CB . 25188 1 307 . 1 1 26 26 SER N N 15 117.428 0.400 . 1 . . . A 372 SER N . 25188 1 308 . 1 1 27 27 LEU H H 1 8.475 0.020 . 1 . . . A 373 LEU H . 25188 1 309 . 1 1 27 27 LEU HA H 1 4.207 0.020 . 1 . . . A 373 LEU HA . 25188 1 310 . 1 1 27 27 LEU HB2 H 1 2.003 0.020 . 1 . . . A 373 LEU HB2 . 25188 1 311 . 1 1 27 27 LEU HB3 H 1 1.878 0.020 . 1 . . . A 373 LEU HB3 . 25188 1 312 . 1 1 27 27 LEU HG H 1 1.508 0.020 . 1 . . . A 373 LEU HG . 25188 1 313 . 1 1 27 27 LEU HD11 H 1 0.797 0.020 . 2 . . . A 373 LEU HD11 . 25188 1 314 . 1 1 27 27 LEU HD12 H 1 0.797 0.020 . 2 . . . A 373 LEU HD12 . 25188 1 315 . 1 1 27 27 LEU HD13 H 1 0.797 0.020 . 2 . . . A 373 LEU HD13 . 25188 1 316 . 1 1 27 27 LEU HD21 H 1 0.529 0.020 . 2 . . . A 373 LEU HD21 . 25188 1 317 . 1 1 27 27 LEU HD22 H 1 0.529 0.020 . 2 . . . A 373 LEU HD22 . 25188 1 318 . 1 1 27 27 LEU HD23 H 1 0.529 0.020 . 2 . . . A 373 LEU HD23 . 25188 1 319 . 1 1 27 27 LEU C C 13 178.848 0.400 . 1 . . . A 373 LEU C . 25188 1 320 . 1 1 27 27 LEU CA C 13 58.703 0.400 . 1 . . . A 373 LEU CA . 25188 1 321 . 1 1 27 27 LEU CB C 13 42.351 0.400 . 1 . . . A 373 LEU CB . 25188 1 322 . 1 1 27 27 LEU CG C 13 27.516 0.400 . 1 . . . A 373 LEU CG . 25188 1 323 . 1 1 27 27 LEU CD1 C 13 24.816 0.400 . 1 . . . A 373 LEU CD1 . 25188 1 324 . 1 1 27 27 LEU CD2 C 13 24.201 0.400 . 1 . . . A 373 LEU CD2 . 25188 1 325 . 1 1 27 27 LEU N N 15 125.046 0.400 . 1 . . . A 373 LEU N . 25188 1 326 . 1 1 28 28 ALA H H 1 8.740 0.020 . 1 . . . A 374 ALA H . 25188 1 327 . 1 1 28 28 ALA HA H 1 4.816 0.020 . 1 . . . A 374 ALA HA . 25188 1 328 . 1 1 28 28 ALA HB1 H 1 2.470 0.020 . 1 . . . A 374 ALA HB1 . 25188 1 329 . 1 1 28 28 ALA HB2 H 1 2.470 0.020 . 1 . . . A 374 ALA HB2 . 25188 1 330 . 1 1 28 28 ALA HB3 H 1 2.470 0.020 . 1 . . . A 374 ALA HB3 . 25188 1 331 . 1 1 28 28 ALA C C 13 183.318 0.400 . 1 . . . A 374 ALA C . 25188 1 332 . 1 1 28 28 ALA CA C 13 56.193 0.400 . 1 . . . A 374 ALA CA . 25188 1 333 . 1 1 28 28 ALA CB C 13 21.213 0.400 . 1 . . . A 374 ALA CB . 25188 1 334 . 1 1 28 28 ALA N N 15 123.286 0.400 . 1 . . . A 374 ALA N . 25188 1 335 . 1 1 29 29 LYS H H 1 8.393 0.020 . 1 . . . A 375 LYS H . 25188 1 336 . 1 1 29 29 LYS HA H 1 3.166 0.020 . 1 . . . A 375 LYS HA . 25188 1 337 . 1 1 29 29 LYS HB2 H 1 1.183 0.020 . 2 . . . A 375 LYS HB2 . 25188 1 338 . 1 1 29 29 LYS HB3 H 1 1.688 0.020 . 2 . . . A 375 LYS HB3 . 25188 1 339 . 1 1 29 29 LYS HG2 H 1 0.797 0.020 . 1 . . . A 375 LYS HG2 . 25188 1 340 . 1 1 29 29 LYS HG3 H 1 -1.152 0.020 . 1 . . . A 375 LYS HG3 . 25188 1 341 . 1 1 29 29 LYS HD2 H 1 1.185 0.020 . 1 . . . A 375 LYS HD2 . 25188 1 342 . 1 1 29 29 LYS HD3 H 1 1.034 0.020 . 1 . . . A 375 LYS HD3 . 25188 1 343 . 1 1 29 29 LYS HE2 H 1 1.912 0.020 . 2 . . . A 375 LYS HE2 . 25188 1 344 . 1 1 29 29 LYS HE3 H 1 1.912 0.020 . 2 . . . A 375 LYS HE3 . 25188 1 345 . 1 1 29 29 LYS C C 13 177.408 0.400 . 1 . . . A 375 LYS C . 25188 1 346 . 1 1 29 29 LYS CA C 13 59.449 0.400 . 1 . . . A 375 LYS CA . 25188 1 347 . 1 1 29 29 LYS CB C 13 32.737 0.400 . 1 . . . A 375 LYS CB . 25188 1 348 . 1 1 29 29 LYS CG C 13 27.274 0.400 . 1 . . . A 375 LYS CG . 25188 1 349 . 1 1 29 29 LYS CD C 13 29.488 0.400 . 1 . . . A 375 LYS CD . 25188 1 350 . 1 1 29 29 LYS CE C 13 42.560 0.400 . 1 . . . A 375 LYS CE . 25188 1 351 . 1 1 29 29 LYS N N 15 120.307 0.400 . 1 . . . A 375 LYS N . 25188 1 352 . 1 1 30 30 ALA H H 1 7.691 0.020 . 1 . . . A 376 ALA H . 25188 1 353 . 1 1 30 30 ALA HA H 1 4.259 0.020 . 1 . . . A 376 ALA HA . 25188 1 354 . 1 1 30 30 ALA HB1 H 1 1.524 0.020 . 1 . . . A 376 ALA HB1 . 25188 1 355 . 1 1 30 30 ALA HB2 H 1 1.524 0.020 . 1 . . . A 376 ALA HB2 . 25188 1 356 . 1 1 30 30 ALA HB3 H 1 1.524 0.020 . 1 . . . A 376 ALA HB3 . 25188 1 357 . 1 1 30 30 ALA C C 13 180.136 0.400 . 1 . . . A 376 ALA C . 25188 1 358 . 1 1 30 30 ALA CA C 13 54.240 0.400 . 1 . . . A 376 ALA CA . 25188 1 359 . 1 1 30 30 ALA CB C 13 19.323 0.400 . 1 . . . A 376 ALA CB . 25188 1 360 . 1 1 30 30 ALA N N 15 121.591 0.400 . 1 . . . A 376 ALA N . 25188 1 361 . 1 1 31 31 LYS H H 1 8.661 0.020 . 1 . . . A 377 LYS H . 25188 1 362 . 1 1 31 31 LYS HA H 1 4.497 0.020 . 1 . . . A 377 LYS HA . 25188 1 363 . 1 1 31 31 LYS HB2 H 1 1.722 0.020 . 1 . . . A 377 LYS HB2 . 25188 1 364 . 1 1 31 31 LYS HB3 H 1 1.895 0.020 . 1 . . . A 377 LYS HB3 . 25188 1 365 . 1 1 31 31 LYS HG2 H 1 1.435 0.020 . 2 . . . A 377 LYS HG2 . 25188 1 366 . 1 1 31 31 LYS HG3 H 1 1.435 0.020 . 2 . . . A 377 LYS HG3 . 25188 1 367 . 1 1 31 31 LYS HD2 H 1 1.456 0.020 . 2 . . . A 377 LYS HD2 . 25188 1 368 . 1 1 31 31 LYS HD3 H 1 1.497 0.020 . 2 . . . A 377 LYS HD3 . 25188 1 369 . 1 1 31 31 LYS HE2 H 1 2.829 0.020 . 2 . . . A 377 LYS HE2 . 25188 1 370 . 1 1 31 31 LYS HE3 H 1 2.912 0.020 . 2 . . . A 377 LYS HE3 . 25188 1 371 . 1 1 31 31 LYS C C 13 177.469 0.400 . 1 . . . A 377 LYS C . 25188 1 372 . 1 1 31 31 LYS CA C 13 55.804 0.400 . 1 . . . A 377 LYS CA . 25188 1 373 . 1 1 31 31 LYS CB C 13 34.569 0.400 . 1 . . . A 377 LYS CB . 25188 1 374 . 1 1 31 31 LYS CG C 13 25.083 0.400 . 1 . . . A 377 LYS CG . 25188 1 375 . 1 1 31 31 LYS CD C 13 28.335 0.400 . 1 . . . A 377 LYS CD . 25188 1 376 . 1 1 31 31 LYS CE C 13 41.840 0.400 . 1 . . . A 377 LYS CE . 25188 1 377 . 1 1 31 31 LYS N N 15 113.573 0.400 . 1 . . . A 377 LYS N . 25188 1 378 . 1 1 32 32 GLY H H 1 8.507 0.020 . 1 . . . A 378 GLY H . 25188 1 379 . 1 1 32 32 GLY HA2 H 1 3.908 0.020 . 1 . . . A 378 GLY HA2 . 25188 1 380 . 1 1 32 32 GLY HA3 H 1 4.241 0.020 . 1 . . . A 378 GLY HA3 . 25188 1 381 . 1 1 32 32 GLY C C 13 174.883 0.400 . 1 . . . A 378 GLY C . 25188 1 382 . 1 1 32 32 GLY CA C 13 48.078 0.400 . 1 . . . A 378 GLY CA . 25188 1 383 . 1 1 32 32 GLY N N 15 110.593 0.400 . 1 . . . A 378 GLY N . 25188 1 384 . 1 1 33 33 VAL H H 1 7.177 0.020 . 1 . . . A 379 VAL H . 25188 1 385 . 1 1 33 33 VAL HA H 1 5.845 0.020 . 1 . . . A 379 VAL HA . 25188 1 386 . 1 1 33 33 VAL HB H 1 2.233 0.020 . 1 . . . A 379 VAL HB . 25188 1 387 . 1 1 33 33 VAL HG11 H 1 0.852 0.020 . 2 . . . A 379 VAL HG11 . 25188 1 388 . 1 1 33 33 VAL HG12 H 1 0.852 0.020 . 2 . . . A 379 VAL HG12 . 25188 1 389 . 1 1 33 33 VAL HG13 H 1 0.852 0.020 . 2 . . . A 379 VAL HG13 . 25188 1 390 . 1 1 33 33 VAL HG21 H 1 0.689 0.020 . 2 . . . A 379 VAL HG21 . 25188 1 391 . 1 1 33 33 VAL HG22 H 1 0.689 0.020 . 2 . . . A 379 VAL HG22 . 25188 1 392 . 1 1 33 33 VAL HG23 H 1 0.689 0.020 . 2 . . . A 379 VAL HG23 . 25188 1 393 . 1 1 33 33 VAL C C 13 174.006 0.400 . 1 . . . A 379 VAL C . 25188 1 394 . 1 1 33 33 VAL CA C 13 57.896 0.400 . 1 . . . A 379 VAL CA . 25188 1 395 . 1 1 33 33 VAL CB C 13 37.372 0.400 . 1 . . . A 379 VAL CB . 25188 1 396 . 1 1 33 33 VAL CG1 C 13 22.298 0.400 . 1 . . . A 379 VAL CG1 . 25188 1 397 . 1 1 33 33 VAL CG2 C 13 17.206 0.400 . 1 . . . A 379 VAL CG2 . 25188 1 398 . 1 1 33 33 VAL N N 15 109.376 0.400 . 1 . . . A 379 VAL N . 25188 1 399 . 1 1 34 34 TRP H H 1 8.967 0.020 . 1 . . . A 380 TRP H . 25188 1 400 . 1 1 34 34 TRP HA H 1 5.597 0.020 . 1 . . . A 380 TRP HA . 25188 1 401 . 1 1 34 34 TRP HB2 H 1 3.534 0.020 . 1 . . . A 380 TRP HB2 . 25188 1 402 . 1 1 34 34 TRP HB3 H 1 2.500 0.020 . 1 . . . A 380 TRP HB3 . 25188 1 403 . 1 1 34 34 TRP HD1 H 1 6.227 0.020 . 1 . . . A 380 TRP HD1 . 25188 1 404 . 1 1 34 34 TRP HE1 H 1 11.177 0.020 . 1 . . . A 380 TRP HE1 . 25188 1 405 . 1 1 34 34 TRP HE3 H 1 8.297 0.020 . 1 . . . A 380 TRP HE3 . 25188 1 406 . 1 1 34 34 TRP HZ2 H 1 6.800 0.020 . 1 . . . A 380 TRP HZ2 . 25188 1 407 . 1 1 34 34 TRP HZ3 H 1 7.374 0.020 . 1 . . . A 380 TRP HZ3 . 25188 1 408 . 1 1 34 34 TRP HH2 H 1 6.630 0.020 . 1 . . . A 380 TRP HH2 . 25188 1 409 . 1 1 34 34 TRP C C 13 173.146 0.400 . 1 . . . A 380 TRP C . 25188 1 410 . 1 1 34 34 TRP CA C 13 56.650 0.400 . 1 . . . A 380 TRP CA . 25188 1 411 . 1 1 34 34 TRP CB C 13 34.891 0.400 . 1 . . . A 380 TRP CB . 25188 1 412 . 1 1 34 34 TRP CD1 C 13 122.923 0.400 . 1 . . . A 380 TRP CD1 . 25188 1 413 . 1 1 34 34 TRP CE3 C 13 121.573 0.400 . 1 . . . A 380 TRP CE3 . 25188 1 414 . 1 1 34 34 TRP CZ2 C 13 115.167 0.400 . 1 . . . A 380 TRP CZ2 . 25188 1 415 . 1 1 34 34 TRP CZ3 C 13 124.332 0.400 . 1 . . . A 380 TRP CZ3 . 25188 1 416 . 1 1 34 34 TRP CH2 C 13 122.497 0.400 . 1 . . . A 380 TRP CH2 . 25188 1 417 . 1 1 34 34 TRP N N 15 114.912 0.400 . 1 . . . A 380 TRP N . 25188 1 418 . 1 1 34 34 TRP NE1 N 15 136.347 0.400 . 1 . . . A 380 TRP NE1 . 25188 1 419 . 1 1 35 35 SER H H 1 5.088 0.020 . 1 . . . A 381 SER H . 25188 1 420 . 1 1 35 35 SER HB2 H 1 2.619 0.020 . 2 . . . A 381 SER HB2 . 25188 1 421 . 1 1 35 35 SER HB3 H 1 3.612 0.020 . 2 . . . A 381 SER HB3 . 25188 1 422 . 1 1 35 35 SER C C 13 169.071 0.400 . 1 . . . A 381 SER C . 25188 1 423 . 1 1 35 35 SER CA C 13 58.171 0.400 . 1 . . . A 381 SER CA . 25188 1 424 . 1 1 35 35 SER CB C 13 67.410 0.400 . 1 . . . A 381 SER CB . 25188 1 425 . 1 1 35 35 SER N N 15 121.164 0.400 . 1 . . . A 381 SER N . 25188 1 426 . 1 1 36 36 THR H H 1 9.358 0.020 . 1 . . . A 382 THR H . 25188 1 427 . 1 1 36 36 THR HA H 1 4.808 0.020 . 1 . . . A 382 THR HA . 25188 1 428 . 1 1 36 36 THR HB H 1 4.074 0.020 . 1 . . . A 382 THR HB . 25188 1 429 . 1 1 36 36 THR HG21 H 1 1.197 0.020 . 1 . . . A 382 THR HG21 . 25188 1 430 . 1 1 36 36 THR HG22 H 1 1.197 0.020 . 1 . . . A 382 THR HG22 . 25188 1 431 . 1 1 36 36 THR HG23 H 1 1.197 0.020 . 1 . . . A 382 THR HG23 . 25188 1 432 . 1 1 36 36 THR CA C 13 58.014 0.400 . 1 . . . A 382 THR CA . 25188 1 433 . 1 1 36 36 THR CB C 13 70.265 0.400 . 1 . . . A 382 THR CB . 25188 1 434 . 1 1 36 36 THR CG2 C 13 18.053 0.400 . 1 . . . A 382 THR CG2 . 25188 1 435 . 1 1 36 36 THR N N 15 118.263 0.400 . 1 . . . A 382 THR N . 25188 1 436 . 1 1 37 37 LEU H H 1 7.922 0.020 . 1 . . . A 383 LEU H . 25188 1 437 . 1 1 37 37 LEU HA H 1 4.646 0.020 . 1 . . . A 383 LEU HA . 25188 1 438 . 1 1 37 37 LEU HB2 H 1 1.506 0.020 . 1 . . . A 383 LEU HB2 . 25188 1 439 . 1 1 37 37 LEU HB3 H 1 1.427 0.020 . 1 . . . A 383 LEU HB3 . 25188 1 440 . 1 1 37 37 LEU HG H 1 1.506 0.020 . 1 . . . A 383 LEU HG . 25188 1 441 . 1 1 37 37 LEU HD11 H 1 0.686 0.020 . 2 . . . A 383 LEU HD11 . 25188 1 442 . 1 1 37 37 LEU HD12 H 1 0.686 0.020 . 2 . . . A 383 LEU HD12 . 25188 1 443 . 1 1 37 37 LEU HD13 H 1 0.686 0.020 . 2 . . . A 383 LEU HD13 . 25188 1 444 . 1 1 37 37 LEU HD21 H 1 0.452 0.020 . 2 . . . A 383 LEU HD21 . 25188 1 445 . 1 1 37 37 LEU HD22 H 1 0.452 0.020 . 2 . . . A 383 LEU HD22 . 25188 1 446 . 1 1 37 37 LEU HD23 H 1 0.452 0.020 . 2 . . . A 383 LEU HD23 . 25188 1 447 . 1 1 37 37 LEU CA C 13 53.693 0.400 . 1 . . . A 383 LEU CA . 25188 1 448 . 1 1 37 37 LEU CB C 13 40.472 0.400 . 1 . . . A 383 LEU CB . 25188 1 449 . 1 1 37 37 LEU CG C 13 28.117 0.400 . 1 . . . A 383 LEU CG . 25188 1 450 . 1 1 37 37 LEU CD1 C 13 24.876 0.400 . 1 . . . A 383 LEU CD1 . 25188 1 451 . 1 1 37 37 LEU CD2 C 13 23.549 0.400 . 1 . . . A 383 LEU CD2 . 25188 1 452 . 1 1 37 37 LEU N N 15 122.995 0.400 . 1 . . . A 383 LEU N . 25188 1 453 . 1 1 38 38 PRO HA H 1 4.412 0.020 . 1 . . . A 384 PRO HA . 25188 1 454 . 1 1 38 38 PRO HB2 H 1 2.078 0.020 . 2 . . . A 384 PRO HB2 . 25188 1 455 . 1 1 38 38 PRO HB3 H 1 2.430 0.020 . 2 . . . A 384 PRO HB3 . 25188 1 456 . 1 1 38 38 PRO HG2 H 1 2.298 0.020 . 2 . . . A 384 PRO HG2 . 25188 1 457 . 1 1 38 38 PRO HG3 H 1 2.298 0.020 . 2 . . . A 384 PRO HG3 . 25188 1 458 . 1 1 38 38 PRO HD2 H 1 3.785 0.020 . 2 . . . A 384 PRO HD2 . 25188 1 459 . 1 1 38 38 PRO HD3 H 1 4.269 0.020 . 2 . . . A 384 PRO HD3 . 25188 1 460 . 1 1 38 38 PRO C C 13 179.424 0.400 . 1 . . . A 384 PRO C . 25188 1 461 . 1 1 38 38 PRO CA C 13 66.970 0.400 . 1 . . . A 384 PRO CA . 25188 1 462 . 1 1 38 38 PRO CB C 13 32.528 0.400 . 1 . . . A 384 PRO CB . 25188 1 463 . 1 1 38 38 PRO CG C 13 27.761 0.400 . 1 . . . A 384 PRO CG . 25188 1 464 . 1 1 38 38 PRO CD C 13 49.861 0.400 . 1 . . . A 384 PRO CD . 25188 1 465 . 1 1 39 39 VAL H H 1 8.428 0.020 . 1 . . . A 385 VAL H . 25188 1 466 . 1 1 39 39 VAL HA H 1 3.764 0.020 . 1 . . . A 385 VAL HA . 25188 1 467 . 1 1 39 39 VAL HB H 1 2.102 0.020 . 1 . . . A 385 VAL HB . 25188 1 468 . 1 1 39 39 VAL HG11 H 1 0.911 0.020 . 2 . . . A 385 VAL HG11 . 25188 1 469 . 1 1 39 39 VAL HG12 H 1 0.911 0.020 . 2 . . . A 385 VAL HG12 . 25188 1 470 . 1 1 39 39 VAL HG13 H 1 0.911 0.020 . 2 . . . A 385 VAL HG13 . 25188 1 471 . 1 1 39 39 VAL HG21 H 1 0.983 0.020 . 2 . . . A 385 VAL HG21 . 25188 1 472 . 1 1 39 39 VAL HG22 H 1 0.983 0.020 . 2 . . . A 385 VAL HG22 . 25188 1 473 . 1 1 39 39 VAL HG23 H 1 0.983 0.020 . 2 . . . A 385 VAL HG23 . 25188 1 474 . 1 1 39 39 VAL C C 13 178.457 0.400 . 1 . . . A 385 VAL C . 25188 1 475 . 1 1 39 39 VAL CA C 13 66.430 0.400 . 1 . . . A 385 VAL CA . 25188 1 476 . 1 1 39 39 VAL CB C 13 31.373 0.400 . 1 . . . A 385 VAL CB . 25188 1 477 . 1 1 39 39 VAL CG1 C 13 20.565 0.400 . 1 . . . A 385 VAL CG1 . 25188 1 478 . 1 1 39 39 VAL CG2 C 13 22.513 0.400 . 1 . . . A 385 VAL CG2 . 25188 1 479 . 1 1 39 39 VAL N N 15 117.084 0.400 . 1 . . . A 385 VAL N . 25188 1 480 . 1 1 40 40 ASN H H 1 7.325 0.020 . 1 . . . A 386 ASN H . 25188 1 481 . 1 1 40 40 ASN HA H 1 4.633 0.020 . 1 . . . A 386 ASN HA . 25188 1 482 . 1 1 40 40 ASN HB2 H 1 3.120 0.020 . 1 . . . A 386 ASN HB2 . 25188 1 483 . 1 1 40 40 ASN HB3 H 1 2.482 0.020 . 1 . . . A 386 ASN HB3 . 25188 1 484 . 1 1 40 40 ASN HD21 H 1 7.102 0.020 . 1 . . . A 386 ASN HD21 . 25188 1 485 . 1 1 40 40 ASN HD22 H 1 5.844 0.020 . 1 . . . A 386 ASN HD22 . 25188 1 486 . 1 1 40 40 ASN C C 13 176.591 0.400 . 1 . . . A 386 ASN C . 25188 1 487 . 1 1 40 40 ASN CA C 13 54.530 0.400 . 1 . . . A 386 ASN CA . 25188 1 488 . 1 1 40 40 ASN CB C 13 37.895 0.400 . 1 . . . A 386 ASN CB . 25188 1 489 . 1 1 40 40 ASN N N 15 119.648 0.400 . 1 . . . A 386 ASN N . 25188 1 490 . 1 1 40 40 ASN ND2 N 15 111.849 0.400 . 1 . . . A 386 ASN ND2 . 25188 1 491 . 1 1 41 41 GLU H H 1 8.986 0.020 . 1 . . . A 387 GLU H . 25188 1 492 . 1 1 41 41 GLU HA H 1 3.854 0.020 . 1 . . . A 387 GLU HA . 25188 1 493 . 1 1 41 41 GLU HB2 H 1 2.297 0.020 . 1 . . . A 387 GLU HB2 . 25188 1 494 . 1 1 41 41 GLU HB3 H 1 2.036 0.020 . 1 . . . A 387 GLU HB3 . 25188 1 495 . 1 1 41 41 GLU HG2 H 1 2.388 0.020 . 1 . . . A 387 GLU HG2 . 25188 1 496 . 1 1 41 41 GLU HG3 H 1 2.081 0.020 . 1 . . . A 387 GLU HG3 . 25188 1 497 . 1 1 41 41 GLU C C 13 177.917 0.400 . 1 . . . A 387 GLU C . 25188 1 498 . 1 1 41 41 GLU CA C 13 59.232 0.400 . 1 . . . A 387 GLU CA . 25188 1 499 . 1 1 41 41 GLU CB C 13 29.608 0.400 . 1 . . . A 387 GLU CB . 25188 1 500 . 1 1 41 41 GLU CG C 13 35.005 0.400 . 1 . . . A 387 GLU CG . 25188 1 501 . 1 1 41 41 GLU N N 15 125.658 0.400 . 1 . . . A 387 GLU N . 25188 1 502 . 1 1 42 42 LYS H H 1 7.490 0.020 . 1 . . . A 388 LYS H . 25188 1 503 . 1 1 42 42 LYS HA H 1 4.156 0.020 . 1 . . . A 388 LYS HA . 25188 1 504 . 1 1 42 42 LYS HB2 H 1 1.928 0.020 . 2 . . . A 388 LYS HB2 . 25188 1 505 . 1 1 42 42 LYS HB3 H 1 1.928 0.020 . 2 . . . A 388 LYS HB3 . 25188 1 506 . 1 1 42 42 LYS HG2 H 1 1.471 0.020 . 2 . . . A 388 LYS HG2 . 25188 1 507 . 1 1 42 42 LYS HG3 H 1 1.595 0.020 . 2 . . . A 388 LYS HG3 . 25188 1 508 . 1 1 42 42 LYS HD2 H 1 1.711 0.020 . 2 . . . A 388 LYS HD2 . 25188 1 509 . 1 1 42 42 LYS HD3 H 1 1.711 0.020 . 2 . . . A 388 LYS HD3 . 25188 1 510 . 1 1 42 42 LYS HE2 H 1 2.962 0.020 . 2 . . . A 388 LYS HE2 . 25188 1 511 . 1 1 42 42 LYS HE3 H 1 2.962 0.020 . 2 . . . A 388 LYS HE3 . 25188 1 512 . 1 1 42 42 LYS C C 13 178.772 0.400 . 1 . . . A 388 LYS C . 25188 1 513 . 1 1 42 42 LYS CA C 13 59.415 0.400 . 1 . . . A 388 LYS CA . 25188 1 514 . 1 1 42 42 LYS CB C 13 32.312 0.400 . 1 . . . A 388 LYS CB . 25188 1 515 . 1 1 42 42 LYS CG C 13 25.058 0.400 . 1 . . . A 388 LYS CG . 25188 1 516 . 1 1 42 42 LYS CD C 13 29.304 0.400 . 1 . . . A 388 LYS CD . 25188 1 517 . 1 1 42 42 LYS CE C 13 42.007 0.400 . 1 . . . A 388 LYS CE . 25188 1 518 . 1 1 42 42 LYS N N 15 116.892 0.400 . 1 . . . A 388 LYS N . 25188 1 519 . 1 1 43 43 LYS H H 1 7.202 0.020 . 1 . . . A 389 LYS H . 25188 1 520 . 1 1 43 43 LYS HA H 1 4.004 0.020 . 1 . . . A 389 LYS HA . 25188 1 521 . 1 1 43 43 LYS HB2 H 1 1.845 0.020 . 1 . . . A 389 LYS HB2 . 25188 1 522 . 1 1 43 43 LYS HB3 H 1 1.963 0.020 . 1 . . . A 389 LYS HB3 . 25188 1 523 . 1 1 43 43 LYS HG2 H 1 1.355 0.020 . 2 . . . A 389 LYS HG2 . 25188 1 524 . 1 1 43 43 LYS HG3 H 1 1.602 0.020 . 2 . . . A 389 LYS HG3 . 25188 1 525 . 1 1 43 43 LYS HD2 H 1 1.766 0.020 . 2 . . . A 389 LYS HD2 . 25188 1 526 . 1 1 43 43 LYS HD3 H 1 1.872 0.020 . 2 . . . A 389 LYS HD3 . 25188 1 527 . 1 1 43 43 LYS HE2 H 1 3.002 0.020 . 2 . . . A 389 LYS HE2 . 25188 1 528 . 1 1 43 43 LYS HE3 H 1 3.072 0.020 . 2 . . . A 389 LYS HE3 . 25188 1 529 . 1 1 43 43 LYS C C 13 179.471 0.400 . 1 . . . A 389 LYS C . 25188 1 530 . 1 1 43 43 LYS CA C 13 59.629 0.400 . 1 . . . A 389 LYS CA . 25188 1 531 . 1 1 43 43 LYS CB C 13 32.627 0.400 . 1 . . . A 389 LYS CB . 25188 1 532 . 1 1 43 43 LYS CG C 13 24.680 0.400 . 1 . . . A 389 LYS CG . 25188 1 533 . 1 1 43 43 LYS CD C 13 29.879 0.400 . 1 . . . A 389 LYS CD . 25188 1 534 . 1 1 43 43 LYS CE C 13 41.763 0.400 . 1 . . . A 389 LYS CE . 25188 1 535 . 1 1 43 43 LYS N N 15 118.355 0.400 . 1 . . . A 389 LYS N . 25188 1 536 . 1 1 44 44 LEU H H 1 8.476 0.020 . 1 . . . A 390 LEU H . 25188 1 537 . 1 1 44 44 LEU HA H 1 3.529 0.020 . 1 . . . A 390 LEU HA . 25188 1 538 . 1 1 44 44 LEU HB2 H 1 0.728 0.020 . 2 . . . A 390 LEU HB2 . 25188 1 539 . 1 1 44 44 LEU HB3 H 1 1.688 0.020 . 2 . . . A 390 LEU HB3 . 25188 1 540 . 1 1 44 44 LEU HG H 1 1.250 0.020 . 1 . . . A 390 LEU HG . 25188 1 541 . 1 1 44 44 LEU HD11 H 1 0.057 0.020 . 2 . . . A 390 LEU HD11 . 25188 1 542 . 1 1 44 44 LEU HD12 H 1 0.057 0.020 . 2 . . . A 390 LEU HD12 . 25188 1 543 . 1 1 44 44 LEU HD13 H 1 0.057 0.020 . 2 . . . A 390 LEU HD13 . 25188 1 544 . 1 1 44 44 LEU HD21 H 1 -0.368 0.020 . 2 . . . A 390 LEU HD21 . 25188 1 545 . 1 1 44 44 LEU HD22 H 1 -0.368 0.020 . 2 . . . A 390 LEU HD22 . 25188 1 546 . 1 1 44 44 LEU HD23 H 1 -0.368 0.020 . 2 . . . A 390 LEU HD23 . 25188 1 547 . 1 1 44 44 LEU C C 13 178.770 0.400 . 1 . . . A 390 LEU C . 25188 1 548 . 1 1 44 44 LEU CA C 13 57.752 0.400 . 1 . . . A 390 LEU CA . 25188 1 549 . 1 1 44 44 LEU CB C 13 41.326 0.400 . 1 . . . A 390 LEU CB . 25188 1 550 . 1 1 44 44 LEU CG C 13 27.013 0.400 . 1 . . . A 390 LEU CG . 25188 1 551 . 1 1 44 44 LEU CD1 C 13 23.734 0.400 . 1 . . . A 390 LEU CD1 . 25188 1 552 . 1 1 44 44 LEU CD2 C 13 21.452 0.400 . 1 . . . A 390 LEU CD2 . 25188 1 553 . 1 1 44 44 LEU N N 15 120.598 0.400 . 1 . . . A 390 LEU N . 25188 1 554 . 1 1 45 45 ASN H H 1 8.327 0.020 . 1 . . . A 391 ASN H . 25188 1 555 . 1 1 45 45 ASN HA H 1 4.760 0.020 . 1 . . . A 391 ASN HA . 25188 1 556 . 1 1 45 45 ASN HB2 H 1 2.766 0.020 . 2 . . . A 391 ASN HB2 . 25188 1 557 . 1 1 45 45 ASN HB3 H 1 2.936 0.020 . 2 . . . A 391 ASN HB3 . 25188 1 558 . 1 1 45 45 ASN HD21 H 1 7.042 0.020 . 1 . . . A 391 ASN HD21 . 25188 1 559 . 1 1 45 45 ASN HD22 H 1 7.296 0.020 . 1 . . . A 391 ASN HD22 . 25188 1 560 . 1 1 45 45 ASN C C 13 178.298 0.400 . 1 . . . A 391 ASN C . 25188 1 561 . 1 1 45 45 ASN CA C 13 56.637 0.400 . 1 . . . A 391 ASN CA . 25188 1 562 . 1 1 45 45 ASN CB C 13 37.921 0.400 . 1 . . . A 391 ASN CB . 25188 1 563 . 1 1 45 45 ASN N N 15 118.795 0.400 . 1 . . . A 391 ASN N . 25188 1 564 . 1 1 45 45 ASN ND2 N 15 110.523 0.400 . 1 . . . A 391 ASN ND2 . 25188 1 565 . 1 1 46 46 LEU H H 1 7.827 0.020 . 1 . . . A 392 LEU H . 25188 1 566 . 1 1 46 46 LEU HA H 1 4.065 0.020 . 1 . . . A 392 LEU HA . 25188 1 567 . 1 1 46 46 LEU HB2 H 1 1.821 0.020 . 1 . . . A 392 LEU HB2 . 25188 1 568 . 1 1 46 46 LEU HB3 H 1 1.632 0.020 . 1 . . . A 392 LEU HB3 . 25188 1 569 . 1 1 46 46 LEU HG H 1 1.766 0.020 . 1 . . . A 392 LEU HG . 25188 1 570 . 1 1 46 46 LEU HD11 H 1 0.919 0.020 . 2 . . . A 392 LEU HD11 . 25188 1 571 . 1 1 46 46 LEU HD12 H 1 0.919 0.020 . 2 . . . A 392 LEU HD12 . 25188 1 572 . 1 1 46 46 LEU HD13 H 1 0.919 0.020 . 2 . . . A 392 LEU HD13 . 25188 1 573 . 1 1 46 46 LEU HD21 H 1 0.901 0.020 . 2 . . . A 392 LEU HD21 . 25188 1 574 . 1 1 46 46 LEU HD22 H 1 0.901 0.020 . 2 . . . A 392 LEU HD22 . 25188 1 575 . 1 1 46 46 LEU HD23 H 1 0.901 0.020 . 2 . . . A 392 LEU HD23 . 25188 1 576 . 1 1 46 46 LEU CA C 13 57.821 0.400 . 1 . . . A 392 LEU CA . 25188 1 577 . 1 1 46 46 LEU CB C 13 41.588 0.400 . 1 . . . A 392 LEU CB . 25188 1 578 . 1 1 46 46 LEU CG C 13 27.251 0.400 . 1 . . . A 392 LEU CG . 25188 1 579 . 1 1 46 46 LEU CD1 C 13 24.730 0.400 . 1 . . . A 392 LEU CD1 . 25188 1 580 . 1 1 46 46 LEU CD2 C 13 23.570 0.400 . 1 . . . A 392 LEU CD2 . 25188 1 581 . 1 1 46 46 LEU N N 15 118.602 0.400 . 1 . . . A 392 LEU N . 25188 1 582 . 1 1 47 47 ALA H H 1 8.175 0.020 . 1 . . . A 393 ALA H . 25188 1 583 . 1 1 47 47 ALA HA H 1 4.077 0.020 . 1 . . . A 393 ALA HA . 25188 1 584 . 1 1 47 47 ALA HB1 H 1 1.466 0.020 . 1 . . . A 393 ALA HB1 . 25188 1 585 . 1 1 47 47 ALA HB2 H 1 1.466 0.020 . 1 . . . A 393 ALA HB2 . 25188 1 586 . 1 1 47 47 ALA HB3 H 1 1.466 0.020 . 1 . . . A 393 ALA HB3 . 25188 1 587 . 1 1 47 47 ALA C C 13 178.807 0.400 . 1 . . . A 393 ALA C . 25188 1 588 . 1 1 47 47 ALA CA C 13 55.075 0.400 . 1 . . . A 393 ALA CA . 25188 1 589 . 1 1 47 47 ALA CB C 13 18.344 0.400 . 1 . . . A 393 ALA CB . 25188 1 590 . 1 1 47 47 ALA N N 15 122.947 0.400 . 1 . . . A 393 ALA N . 25188 1 591 . 1 1 48 48 PHE H H 1 8.874 0.020 . 1 . . . A 394 PHE H . 25188 1 592 . 1 1 48 48 PHE HA H 1 3.943 0.020 . 1 . . . A 394 PHE HA . 25188 1 593 . 1 1 48 48 PHE HB2 H 1 3.291 0.020 . 1 . . . A 394 PHE HB2 . 25188 1 594 . 1 1 48 48 PHE HB3 H 1 3.254 0.020 . 1 . . . A 394 PHE HB3 . 25188 1 595 . 1 1 48 48 PHE HD1 H 1 6.963 0.020 . 1 . . . A 394 PHE HD1 . 25188 1 596 . 1 1 48 48 PHE HD2 H 1 6.963 0.020 . 1 . . . A 394 PHE HD2 . 25188 1 597 . 1 1 48 48 PHE HE1 H 1 7.249 0.020 . 1 . . . A 394 PHE HE1 . 25188 1 598 . 1 1 48 48 PHE HE2 H 1 7.249 0.020 . 1 . . . A 394 PHE HE2 . 25188 1 599 . 1 1 48 48 PHE C C 13 177.226 0.400 . 1 . . . A 394 PHE C . 25188 1 600 . 1 1 48 48 PHE CA C 13 61.467 0.400 . 1 . . . A 394 PHE CA . 25188 1 601 . 1 1 48 48 PHE CB C 13 38.916 0.400 . 1 . . . A 394 PHE CB . 25188 1 602 . 1 1 48 48 PHE CD1 C 13 131.303 0.400 . 1 . . . A 394 PHE CD1 . 25188 1 603 . 1 1 48 48 PHE CE1 C 13 130.896 0.400 . 1 . . . A 394 PHE CE1 . 25188 1 604 . 1 1 48 48 PHE N N 15 118.422 0.400 . 1 . . . A 394 PHE N . 25188 1 605 . 1 1 49 49 ARG H H 1 7.380 0.020 . 1 . . . A 395 ARG H . 25188 1 606 . 1 1 49 49 ARG HA H 1 4.084 0.020 . 1 . . . A 395 ARG HA . 25188 1 607 . 1 1 49 49 ARG HB2 H 1 2.034 0.020 . 1 . . . A 395 ARG HB2 . 25188 1 608 . 1 1 49 49 ARG HB3 H 1 1.883 0.020 . 1 . . . A 395 ARG HB3 . 25188 1 609 . 1 1 49 49 ARG HG2 H 1 1.817 0.020 . 1 . . . A 395 ARG HG2 . 25188 1 610 . 1 1 49 49 ARG HG3 H 1 2.089 0.020 . 1 . . . A 395 ARG HG3 . 25188 1 611 . 1 1 49 49 ARG HD2 H 1 3.148 0.020 . 2 . . . A 395 ARG HD2 . 25188 1 612 . 1 1 49 49 ARG HD3 H 1 3.265 0.020 . 2 . . . A 395 ARG HD3 . 25188 1 613 . 1 1 49 49 ARG C C 13 176.872 0.400 . 1 . . . A 395 ARG C . 25188 1 614 . 1 1 49 49 ARG CA C 13 57.090 0.400 . 1 . . . A 395 ARG CA . 25188 1 615 . 1 1 49 49 ARG CB C 13 31.083 0.400 . 1 . . . A 395 ARG CB . 25188 1 616 . 1 1 49 49 ARG CG C 13 27.761 0.400 . 1 . . . A 395 ARG CG . 25188 1 617 . 1 1 49 49 ARG CD C 13 43.797 0.400 . 1 . . . A 395 ARG CD . 25188 1 618 . 1 1 49 49 ARG N N 15 112.973 0.400 . 1 . . . A 395 ARG N . 25188 1 619 . 1 1 50 50 SER H H 1 7.595 0.020 . 1 . . . A 396 SER H . 25188 1 620 . 1 1 50 50 SER HA H 1 4.538 0.020 . 1 . . . A 396 SER HA . 25188 1 621 . 1 1 50 50 SER HB2 H 1 3.839 0.020 . 2 . . . A 396 SER HB2 . 25188 1 622 . 1 1 50 50 SER HB3 H 1 3.915 0.020 . 2 . . . A 396 SER HB3 . 25188 1 623 . 1 1 50 50 SER C C 13 173.255 0.400 . 1 . . . A 396 SER C . 25188 1 624 . 1 1 50 50 SER CA C 13 58.687 0.400 . 1 . . . A 396 SER CA . 25188 1 625 . 1 1 50 50 SER CB C 13 64.967 0.400 . 1 . . . A 396 SER CB . 25188 1 626 . 1 1 50 50 SER N N 15 112.074 0.400 . 1 . . . A 396 SER N . 25188 1 627 . 1 1 51 51 ALA H H 1 7.836 0.020 . 1 . . . A 397 ALA H . 25188 1 628 . 1 1 51 51 ALA HA H 1 4.649 0.020 . 1 . . . A 397 ALA HA . 25188 1 629 . 1 1 51 51 ALA HB1 H 1 1.295 0.020 . 1 . . . A 397 ALA HB1 . 25188 1 630 . 1 1 51 51 ALA HB2 H 1 1.295 0.020 . 1 . . . A 397 ALA HB2 . 25188 1 631 . 1 1 51 51 ALA HB3 H 1 1.295 0.020 . 1 . . . A 397 ALA HB3 . 25188 1 632 . 1 1 51 51 ALA C C 13 177.289 0.400 . 1 . . . A 397 ALA C . 25188 1 633 . 1 1 51 51 ALA CA C 13 50.968 0.400 . 1 . . . A 397 ALA CA . 25188 1 634 . 1 1 51 51 ALA CB C 13 21.302 0.400 . 1 . . . A 397 ALA CB . 25188 1 635 . 1 1 51 51 ALA N N 15 124.284 0.400 . 1 . . . A 397 ALA N . 25188 1 636 . 1 1 52 52 ARG H H 1 8.762 0.020 . 1 . . . A 398 ARG H . 25188 1 637 . 1 1 52 52 ARG HA H 1 3.941 0.020 . 1 . . . A 398 ARG HA . 25188 1 638 . 1 1 52 52 ARG HB2 H 1 1.821 0.020 . 1 . . . A 398 ARG HB2 . 25188 1 639 . 1 1 52 52 ARG HB3 H 1 1.754 0.020 . 1 . . . A 398 ARG HB3 . 25188 1 640 . 1 1 52 52 ARG HG2 H 1 1.651 0.020 . 2 . . . A 398 ARG HG2 . 25188 1 641 . 1 1 52 52 ARG HG3 H 1 1.651 0.020 . 2 . . . A 398 ARG HG3 . 25188 1 642 . 1 1 52 52 ARG HD2 H 1 3.192 0.020 . 2 . . . A 398 ARG HD2 . 25188 1 643 . 1 1 52 52 ARG HD3 H 1 3.192 0.020 . 2 . . . A 398 ARG HD3 . 25188 1 644 . 1 1 52 52 ARG C C 13 176.848 0.400 . 1 . . . A 398 ARG C . 25188 1 645 . 1 1 52 52 ARG CA C 13 58.279 0.400 . 1 . . . A 398 ARG CA . 25188 1 646 . 1 1 52 52 ARG CB C 13 30.377 0.400 . 1 . . . A 398 ARG CB . 25188 1 647 . 1 1 52 52 ARG CG C 13 27.012 0.400 . 1 . . . A 398 ARG CG . 25188 1 648 . 1 1 52 52 ARG CD C 13 43.026 0.400 . 1 . . . A 398 ARG CD . 25188 1 649 . 1 1 52 52 ARG N N 15 121.621 0.400 . 1 . . . A 398 ARG N . 25188 1 650 . 1 1 53 53 SER H H 1 7.012 0.020 . 1 . . . A 399 SER H . 25188 1 651 . 1 1 53 53 SER HA H 1 4.589 0.020 . 1 . . . A 399 SER HA . 25188 1 652 . 1 1 53 53 SER HB2 H 1 3.425 0.020 . 2 . . . A 399 SER HB2 . 25188 1 653 . 1 1 53 53 SER HB3 H 1 3.559 0.020 . 2 . . . A 399 SER HB3 . 25188 1 654 . 1 1 53 53 SER C C 13 171.564 0.400 . 1 . . . A 399 SER C . 25188 1 655 . 1 1 53 53 SER CA C 13 57.202 0.400 . 1 . . . A 399 SER CA . 25188 1 656 . 1 1 53 53 SER CB C 13 66.275 0.400 . 1 . . . A 399 SER CB . 25188 1 657 . 1 1 53 53 SER N N 15 109.404 0.400 . 1 . . . A 399 SER N . 25188 1 658 . 1 1 54 54 VAL H H 1 9.136 0.020 . 1 . . . A 400 VAL H . 25188 1 659 . 1 1 54 54 VAL HA H 1 4.497 0.020 . 1 . . . A 400 VAL HA . 25188 1 660 . 1 1 54 54 VAL HB H 1 2.089 0.020 . 1 . . . A 400 VAL HB . 25188 1 661 . 1 1 54 54 VAL HG11 H 1 0.838 0.020 . 2 . . . A 400 VAL HG11 . 25188 1 662 . 1 1 54 54 VAL HG12 H 1 0.838 0.020 . 2 . . . A 400 VAL HG12 . 25188 1 663 . 1 1 54 54 VAL HG13 H 1 0.838 0.020 . 2 . . . A 400 VAL HG13 . 25188 1 664 . 1 1 54 54 VAL HG21 H 1 0.838 0.020 . 2 . . . A 400 VAL HG21 . 25188 1 665 . 1 1 54 54 VAL HG22 H 1 0.838 0.020 . 2 . . . A 400 VAL HG22 . 25188 1 666 . 1 1 54 54 VAL HG23 H 1 0.838 0.020 . 2 . . . A 400 VAL HG23 . 25188 1 667 . 1 1 54 54 VAL C C 13 173.507 0.400 . 1 . . . A 400 VAL C . 25188 1 668 . 1 1 54 54 VAL CA C 13 61.262 0.400 . 1 . . . A 400 VAL CA . 25188 1 669 . 1 1 54 54 VAL CB C 13 32.847 0.400 . 1 . . . A 400 VAL CB . 25188 1 670 . 1 1 54 54 VAL CG1 C 13 22.102 0.400 . 1 . . . A 400 VAL CG1 . 25188 1 671 . 1 1 54 54 VAL N N 15 126.207 0.400 . 1 . . . A 400 VAL N . 25188 1 672 . 1 1 55 55 ILE H H 1 9.189 0.020 . 1 . . . A 401 ILE H . 25188 1 673 . 1 1 55 55 ILE HB H 1 1.579 0.020 . 1 . . . A 401 ILE HB . 25188 1 674 . 1 1 55 55 ILE HG12 H 1 0.945 0.020 . 1 . . . A 401 ILE HG12 . 25188 1 675 . 1 1 55 55 ILE HG13 H 1 0.779 0.020 . 1 . . . A 401 ILE HG13 . 25188 1 676 . 1 1 55 55 ILE HG21 H 1 0.740 0.020 . 1 . . . A 401 ILE HG21 . 25188 1 677 . 1 1 55 55 ILE HG22 H 1 0.740 0.020 . 1 . . . A 401 ILE HG22 . 25188 1 678 . 1 1 55 55 ILE HG23 H 1 0.740 0.020 . 1 . . . A 401 ILE HG23 . 25188 1 679 . 1 1 55 55 ILE HD11 H 1 0.459 0.020 . 1 . . . A 401 ILE HD11 . 25188 1 680 . 1 1 55 55 ILE HD12 H 1 0.459 0.020 . 1 . . . A 401 ILE HD12 . 25188 1 681 . 1 1 55 55 ILE HD13 H 1 0.459 0.020 . 1 . . . A 401 ILE HD13 . 25188 1 682 . 1 1 55 55 ILE C C 13 173.823 0.400 . 1 . . . A 401 ILE C . 25188 1 683 . 1 1 55 55 ILE CA C 13 57.194 0.400 . 1 . . . A 401 ILE CA . 25188 1 684 . 1 1 55 55 ILE CB C 13 36.857 0.400 . 1 . . . A 401 ILE CB . 25188 1 685 . 1 1 55 55 ILE CG1 C 13 26.076 0.400 . 1 . . . A 401 ILE CG1 . 25188 1 686 . 1 1 55 55 ILE CG2 C 13 17.475 0.400 . 1 . . . A 401 ILE CG2 . 25188 1 687 . 1 1 55 55 ILE CD1 C 13 9.076 0.400 . 1 . . . A 401 ILE CD1 . 25188 1 688 . 1 1 55 55 ILE N N 15 128.834 0.400 . 1 . . . A 401 ILE N . 25188 1 689 . 1 1 56 56 LEU H H 1 9.174 0.020 . 1 . . . A 402 LEU H . 25188 1 690 . 1 1 56 56 LEU HA H 1 4.837 0.020 . 1 . . . A 402 LEU HA . 25188 1 691 . 1 1 56 56 LEU HB2 H 1 1.328 0.020 . 1 . . . A 402 LEU HB2 . 25188 1 692 . 1 1 56 56 LEU HB3 H 1 0.689 0.020 . 1 . . . A 402 LEU HB3 . 25188 1 693 . 1 1 56 56 LEU HG H 1 1.365 0.020 . 1 . . . A 402 LEU HG . 25188 1 694 . 1 1 56 56 LEU HD11 H 1 0.429 0.020 . 2 . . . A 402 LEU HD11 . 25188 1 695 . 1 1 56 56 LEU HD12 H 1 0.429 0.020 . 2 . . . A 402 LEU HD12 . 25188 1 696 . 1 1 56 56 LEU HD13 H 1 0.429 0.020 . 2 . . . A 402 LEU HD13 . 25188 1 697 . 1 1 56 56 LEU HD21 H 1 0.415 0.020 . 2 . . . A 402 LEU HD21 . 25188 1 698 . 1 1 56 56 LEU HD22 H 1 0.415 0.020 . 2 . . . A 402 LEU HD22 . 25188 1 699 . 1 1 56 56 LEU HD23 H 1 0.415 0.020 . 2 . . . A 402 LEU HD23 . 25188 1 700 . 1 1 56 56 LEU CA C 13 52.450 0.400 . 1 . . . A 402 LEU CA . 25188 1 701 . 1 1 56 56 LEU CB C 13 42.632 0.400 . 1 . . . A 402 LEU CB . 25188 1 702 . 1 1 56 56 LEU CG C 13 27.453 0.400 . 1 . . . A 402 LEU CG . 25188 1 703 . 1 1 56 56 LEU CD1 C 13 24.853 0.400 . 1 . . . A 402 LEU CD1 . 25188 1 704 . 1 1 56 56 LEU CD2 C 13 23.057 0.400 . 1 . . . A 402 LEU CD2 . 25188 1 705 . 1 1 56 56 LEU N N 15 126.903 0.400 . 1 . . . A 402 LEU N . 25188 1 706 . 1 1 57 57 ILE H H 1 8.860 0.020 . 1 . . . A 403 ILE H . 25188 1 707 . 1 1 57 57 ILE HA H 1 4.509 0.020 . 1 . . . A 403 ILE HA . 25188 1 708 . 1 1 57 57 ILE HB H 1 1.587 0.020 . 1 . . . A 403 ILE HB . 25188 1 709 . 1 1 57 57 ILE HG12 H 1 0.660 0.020 . 1 . . . A 403 ILE HG12 . 25188 1 710 . 1 1 57 57 ILE HG13 H 1 1.368 0.020 . 1 . . . A 403 ILE HG13 . 25188 1 711 . 1 1 57 57 ILE HG21 H 1 0.800 0.020 . 1 . . . A 403 ILE HG21 . 25188 1 712 . 1 1 57 57 ILE HG22 H 1 0.800 0.020 . 1 . . . A 403 ILE HG22 . 25188 1 713 . 1 1 57 57 ILE HG23 H 1 0.800 0.020 . 1 . . . A 403 ILE HG23 . 25188 1 714 . 1 1 57 57 ILE HD11 H 1 0.545 0.020 . 1 . . . A 403 ILE HD11 . 25188 1 715 . 1 1 57 57 ILE HD12 H 1 0.545 0.020 . 1 . . . A 403 ILE HD12 . 25188 1 716 . 1 1 57 57 ILE HD13 H 1 0.545 0.020 . 1 . . . A 403 ILE HD13 . 25188 1 717 . 1 1 57 57 ILE C C 13 174.651 0.400 . 1 . . . A 403 ILE C . 25188 1 718 . 1 1 57 57 ILE CA C 13 60.833 0.400 . 1 . . . A 403 ILE CA . 25188 1 719 . 1 1 57 57 ILE CB C 13 38.998 0.400 . 1 . . . A 403 ILE CB . 25188 1 720 . 1 1 57 57 ILE CG1 C 13 27.717 0.400 . 1 . . . A 403 ILE CG1 . 25188 1 721 . 1 1 57 57 ILE CG2 C 13 18.907 0.400 . 1 . . . A 403 ILE CG2 . 25188 1 722 . 1 1 57 57 ILE CD1 C 13 15.206 0.400 . 1 . . . A 403 ILE CD1 . 25188 1 723 . 1 1 57 57 ILE N N 15 124.568 0.400 . 1 . . . A 403 ILE N . 25188 1 724 . 1 1 58 58 PHE H H 1 8.640 0.020 . 1 . . . A 404 PHE H . 25188 1 725 . 1 1 58 58 PHE HB2 H 1 2.429 0.020 . 1 . . . A 404 PHE HB2 . 25188 1 726 . 1 1 58 58 PHE HB3 H 1 2.897 0.020 . 1 . . . A 404 PHE HB3 . 25188 1 727 . 1 1 58 58 PHE HD1 H 1 6.416 0.020 . 1 . . . A 404 PHE HD1 . 25188 1 728 . 1 1 58 58 PHE HD2 H 1 6.416 0.020 . 1 . . . A 404 PHE HD2 . 25188 1 729 . 1 1 58 58 PHE HE1 H 1 5.319 0.020 . 1 . . . A 404 PHE HE1 . 25188 1 730 . 1 1 58 58 PHE HE2 H 1 5.319 0.020 . 1 . . . A 404 PHE HE2 . 25188 1 731 . 1 1 58 58 PHE HZ H 1 5.877 0.020 . 1 . . . A 404 PHE HZ . 25188 1 732 . 1 1 58 58 PHE C C 13 178.143 0.400 . 1 . . . A 404 PHE C . 25188 1 733 . 1 1 58 58 PHE CA C 13 58.793 0.400 . 1 . . . A 404 PHE CA . 25188 1 734 . 1 1 58 58 PHE CB C 13 42.522 0.400 . 1 . . . A 404 PHE CB . 25188 1 735 . 1 1 58 58 PHE CD2 C 13 130.173 0.400 . 1 . . . A 404 PHE CD2 . 25188 1 736 . 1 1 58 58 PHE CE2 C 13 130.356 0.400 . 1 . . . A 404 PHE CE2 . 25188 1 737 . 1 1 58 58 PHE CZ C 13 127.608 0.400 . 1 . . . A 404 PHE CZ . 25188 1 738 . 1 1 58 58 PHE N N 15 125.452 0.400 . 1 . . . A 404 PHE N . 25188 1 739 . 1 1 59 59 SER H H 1 9.301 0.020 . 1 . . . A 405 SER H . 25188 1 740 . 1 1 59 59 SER HA H 1 5.702 0.020 . 1 . . . A 405 SER HA . 25188 1 741 . 1 1 59 59 SER HB2 H 1 3.542 0.020 . 2 . . . A 405 SER HB2 . 25188 1 742 . 1 1 59 59 SER HB3 H 1 4.180 0.020 . 2 . . . A 405 SER HB3 . 25188 1 743 . 1 1 59 59 SER C C 13 174.559 0.400 . 1 . . . A 405 SER C . 25188 1 744 . 1 1 59 59 SER CA C 13 56.143 0.400 . 1 . . . A 405 SER CA . 25188 1 745 . 1 1 59 59 SER CB C 13 63.617 0.400 . 1 . . . A 405 SER CB . 25188 1 746 . 1 1 59 59 SER N N 15 114.931 0.400 . 1 . . . A 405 SER N . 25188 1 747 . 1 1 60 60 VAL H H 1 9.535 0.020 . 1 . . . A 406 VAL H . 25188 1 748 . 1 1 60 60 VAL HA H 1 3.967 0.020 . 1 . . . A 406 VAL HA . 25188 1 749 . 1 1 60 60 VAL HB H 1 1.351 0.020 . 1 . . . A 406 VAL HB . 25188 1 750 . 1 1 60 60 VAL HG11 H 1 0.179 0.020 . 2 . . . A 406 VAL HG11 . 25188 1 751 . 1 1 60 60 VAL HG12 H 1 0.179 0.020 . 2 . . . A 406 VAL HG12 . 25188 1 752 . 1 1 60 60 VAL HG13 H 1 0.179 0.020 . 2 . . . A 406 VAL HG13 . 25188 1 753 . 1 1 60 60 VAL HG21 H 1 0.723 0.020 . 2 . . . A 406 VAL HG21 . 25188 1 754 . 1 1 60 60 VAL HG22 H 1 0.723 0.020 . 2 . . . A 406 VAL HG22 . 25188 1 755 . 1 1 60 60 VAL HG23 H 1 0.723 0.020 . 2 . . . A 406 VAL HG23 . 25188 1 756 . 1 1 60 60 VAL C C 13 177.547 0.400 . 1 . . . A 406 VAL C . 25188 1 757 . 1 1 60 60 VAL CA C 13 62.888 0.400 . 1 . . . A 406 VAL CA . 25188 1 758 . 1 1 60 60 VAL CB C 13 31.933 0.400 . 1 . . . A 406 VAL CB . 25188 1 759 . 1 1 60 60 VAL CG1 C 13 18.750 0.400 . 1 . . . A 406 VAL CG1 . 25188 1 760 . 1 1 60 60 VAL CG2 C 13 22.186 0.400 . 1 . . . A 406 VAL CG2 . 25188 1 761 . 1 1 60 60 VAL N N 15 131.645 0.400 . 1 . . . A 406 VAL N . 25188 1 762 . 1 1 61 61 ARG H H 1 9.415 0.020 . 1 . . . A 407 ARG H . 25188 1 763 . 1 1 61 61 ARG HA H 1 4.298 0.020 . 1 . . . A 407 ARG HA . 25188 1 764 . 1 1 61 61 ARG HB2 H 1 1.847 0.020 . 2 . . . A 407 ARG HB2 . 25188 1 765 . 1 1 61 61 ARG HB3 H 1 2.085 0.020 . 2 . . . A 407 ARG HB3 . 25188 1 766 . 1 1 61 61 ARG HG2 H 1 1.947 0.020 . 1 . . . A 407 ARG HG2 . 25188 1 767 . 1 1 61 61 ARG HG3 H 1 1.866 0.020 . 1 . . . A 407 ARG HG3 . 25188 1 768 . 1 1 61 61 ARG HD2 H 1 3.364 0.020 . 2 . . . A 407 ARG HD2 . 25188 1 769 . 1 1 61 61 ARG HD3 H 1 3.407 0.020 . 2 . . . A 407 ARG HD3 . 25188 1 770 . 1 1 61 61 ARG C C 13 175.157 0.400 . 1 . . . A 407 ARG C . 25188 1 771 . 1 1 61 61 ARG CA C 13 58.080 0.400 . 1 . . . A 407 ARG CA . 25188 1 772 . 1 1 61 61 ARG CB C 13 31.978 0.400 . 1 . . . A 407 ARG CB . 25188 1 773 . 1 1 61 61 ARG CG C 13 27.453 0.400 . 1 . . . A 407 ARG CG . 25188 1 774 . 1 1 61 61 ARG CD C 13 44.404 0.400 . 1 . . . A 407 ARG CD . 25188 1 775 . 1 1 61 61 ARG N N 15 131.551 0.400 . 1 . . . A 407 ARG N . 25188 1 776 . 1 1 62 62 GLU H H 1 8.602 0.020 . 1 . . . A 408 GLU H . 25188 1 777 . 1 1 62 62 GLU HA H 1 4.151 0.020 . 1 . . . A 408 GLU HA . 25188 1 778 . 1 1 62 62 GLU HB2 H 1 2.358 0.020 . 2 . . . A 408 GLU HB2 . 25188 1 779 . 1 1 62 62 GLU HB3 H 1 2.358 0.020 . 2 . . . A 408 GLU HB3 . 25188 1 780 . 1 1 62 62 GLU HG2 H 1 2.338 0.020 . 2 . . . A 408 GLU HG2 . 25188 1 781 . 1 1 62 62 GLU HG3 H 1 2.470 0.020 . 2 . . . A 408 GLU HG3 . 25188 1 782 . 1 1 62 62 GLU C C 13 176.444 0.400 . 1 . . . A 408 GLU C . 25188 1 783 . 1 1 62 62 GLU CA C 13 59.505 0.400 . 1 . . . A 408 GLU CA . 25188 1 784 . 1 1 62 62 GLU CB C 13 27.638 0.400 . 1 . . . A 408 GLU CB . 25188 1 785 . 1 1 62 62 GLU CG C 13 38.341 0.400 . 1 . . . A 408 GLU CG . 25188 1 786 . 1 1 62 62 GLU N N 15 119.693 0.400 . 1 . . . A 408 GLU N . 25188 1 787 . 1 1 63 63 SER H H 1 8.158 0.020 . 1 . . . A 409 SER H . 25188 1 788 . 1 1 63 63 SER HA H 1 4.358 0.020 . 1 . . . A 409 SER HA . 25188 1 789 . 1 1 63 63 SER HB2 H 1 3.483 0.020 . 2 . . . A 409 SER HB2 . 25188 1 790 . 1 1 63 63 SER HB3 H 1 3.916 0.020 . 2 . . . A 409 SER HB3 . 25188 1 791 . 1 1 63 63 SER C C 13 176.433 0.400 . 1 . . . A 409 SER C . 25188 1 792 . 1 1 63 63 SER CA C 13 59.850 0.400 . 1 . . . A 409 SER CA . 25188 1 793 . 1 1 63 63 SER CB C 13 64.913 0.400 . 1 . . . A 409 SER CB . 25188 1 794 . 1 1 63 63 SER N N 15 113.912 0.400 . 1 . . . A 409 SER N . 25188 1 795 . 1 1 64 64 GLY H H 1 9.218 0.020 . 1 . . . A 410 GLY H . 25188 1 796 . 1 1 64 64 GLY HA2 H 1 3.426 0.020 . 2 . . . A 410 GLY HA2 . 25188 1 797 . 1 1 64 64 GLY HA3 H 1 3.705 0.020 . 2 . . . A 410 GLY HA3 . 25188 1 798 . 1 1 64 64 GLY C C 13 172.734 0.400 . 1 . . . A 410 GLY C . 25188 1 799 . 1 1 64 64 GLY CA C 13 46.154 0.400 . 1 . . . A 410 GLY CA . 25188 1 800 . 1 1 64 64 GLY N N 15 112.529 0.400 . 1 . . . A 410 GLY N . 25188 1 801 . 1 1 65 65 LYS H H 1 6.855 0.020 . 1 . . . A 411 LYS H . 25188 1 802 . 1 1 65 65 LYS HA H 1 4.114 0.020 . 1 . . . A 411 LYS HA . 25188 1 803 . 1 1 65 65 LYS HB2 H 1 1.569 0.020 . 1 . . . A 411 LYS HB2 . 25188 1 804 . 1 1 65 65 LYS HB3 H 1 1.107 0.020 . 1 . . . A 411 LYS HB3 . 25188 1 805 . 1 1 65 65 LYS HG2 H 1 1.221 0.020 . 1 . . . A 411 LYS HG2 . 25188 1 806 . 1 1 65 65 LYS HG3 H 1 0.912 0.020 . 1 . . . A 411 LYS HG3 . 25188 1 807 . 1 1 65 65 LYS HD2 H 1 1.412 0.020 . 1 . . . A 411 LYS HD2 . 25188 1 808 . 1 1 65 65 LYS HD3 H 1 1.318 0.020 . 1 . . . A 411 LYS HD3 . 25188 1 809 . 1 1 65 65 LYS HE2 H 1 2.852 0.020 . 1 . . . A 411 LYS HE2 . 25188 1 810 . 1 1 65 65 LYS HE3 H 1 2.823 0.020 . 1 . . . A 411 LYS HE3 . 25188 1 811 . 1 1 65 65 LYS C C 13 174.117 0.400 . 1 . . . A 411 LYS C . 25188 1 812 . 1 1 65 65 LYS CA C 13 54.380 0.400 . 1 . . . A 411 LYS CA . 25188 1 813 . 1 1 65 65 LYS CB C 13 38.631 0.400 . 1 . . . A 411 LYS CB . 25188 1 814 . 1 1 65 65 LYS CG C 13 24.907 0.400 . 1 . . . A 411 LYS CG . 25188 1 815 . 1 1 65 65 LYS CD C 13 30.136 0.400 . 1 . . . A 411 LYS CD . 25188 1 816 . 1 1 65 65 LYS CE C 13 42.191 0.400 . 1 . . . A 411 LYS CE . 25188 1 817 . 1 1 65 65 LYS N N 15 116.618 0.400 . 1 . . . A 411 LYS N . 25188 1 818 . 1 1 66 66 PHE H H 1 8.632 0.020 . 1 . . . A 412 PHE H . 25188 1 819 . 1 1 66 66 PHE HA H 1 5.437 0.020 . 1 . . . A 412 PHE HA . 25188 1 820 . 1 1 66 66 PHE HB2 H 1 3.163 0.020 . 1 . . . A 412 PHE HB2 . 25188 1 821 . 1 1 66 66 PHE HB3 H 1 3.684 0.020 . 1 . . . A 412 PHE HB3 . 25188 1 822 . 1 1 66 66 PHE HD1 H 1 7.287 0.020 . 1 . . . A 412 PHE HD1 . 25188 1 823 . 1 1 66 66 PHE HD2 H 1 7.287 0.020 . 1 . . . A 412 PHE HD2 . 25188 1 824 . 1 1 66 66 PHE HE1 H 1 6.663 0.020 . 1 . . . A 412 PHE HE1 . 25188 1 825 . 1 1 66 66 PHE HE2 H 1 6.663 0.020 . 1 . . . A 412 PHE HE2 . 25188 1 826 . 1 1 66 66 PHE C C 13 177.851 0.400 . 1 . . . A 412 PHE C . 25188 1 827 . 1 1 66 66 PHE CA C 13 56.781 0.400 . 1 . . . A 412 PHE CA . 25188 1 828 . 1 1 66 66 PHE CB C 13 42.335 0.400 . 1 . . . A 412 PHE CB . 25188 1 829 . 1 1 66 66 PHE CD2 C 13 132.450 0.400 . 1 . . . A 412 PHE CD2 . 25188 1 830 . 1 1 66 66 PHE CE2 C 13 129.058 0.400 . 1 . . . A 412 PHE CE2 . 25188 1 831 . 1 1 66 66 PHE N N 15 116.720 0.400 . 1 . . . A 412 PHE N . 25188 1 832 . 1 1 67 67 GLN H H 1 8.707 0.020 . 1 . . . A 413 GLN H . 25188 1 833 . 1 1 67 67 GLN HA H 1 4.470 0.020 . 1 . . . A 413 GLN HA . 25188 1 834 . 1 1 67 67 GLN HB2 H 1 1.954 0.020 . 2 . . . A 413 GLN HB2 . 25188 1 835 . 1 1 67 67 GLN HB3 H 1 1.954 0.020 . 2 . . . A 413 GLN HB3 . 25188 1 836 . 1 1 67 67 GLN HG2 H 1 2.450 0.020 . 2 . . . A 413 GLN HG2 . 25188 1 837 . 1 1 67 67 GLN HG3 H 1 2.671 0.020 . 2 . . . A 413 GLN HG3 . 25188 1 838 . 1 1 67 67 GLN HE21 H 1 6.622 0.020 . 2 . . . A 413 GLN HE21 . 25188 1 839 . 1 1 67 67 GLN HE22 H 1 8.021 0.020 . 2 . . . A 413 GLN HE22 . 25188 1 840 . 1 1 67 67 GLN C C 13 173.679 0.400 . 1 . . . A 413 GLN C . 25188 1 841 . 1 1 67 67 GLN CA C 13 58.552 0.400 . 1 . . . A 413 GLN CA . 25188 1 842 . 1 1 67 67 GLN CB C 13 28.877 0.400 . 1 . . . A 413 GLN CB . 25188 1 843 . 1 1 67 67 GLN CG C 13 36.139 0.400 . 1 . . . A 413 GLN CG . 25188 1 844 . 1 1 67 67 GLN N N 15 120.952 0.400 . 1 . . . A 413 GLN N . 25188 1 845 . 1 1 67 67 GLN NE2 N 15 110.248 0.400 . 1 . . . A 413 GLN NE2 . 25188 1 846 . 1 1 68 68 GLY H H 1 7.359 0.020 . 1 . . . A 414 GLY H . 25188 1 847 . 1 1 68 68 GLY HA2 H 1 3.723 0.020 . 1 . . . A 414 GLY HA2 . 25188 1 848 . 1 1 68 68 GLY HA3 H 1 5.152 0.020 . 1 . . . A 414 GLY HA3 . 25188 1 849 . 1 1 68 68 GLY C C 13 172.030 0.400 . 1 . . . A 414 GLY C . 25188 1 850 . 1 1 68 68 GLY CA C 13 44.474 0.400 . 1 . . . A 414 GLY CA . 25188 1 851 . 1 1 68 68 GLY N N 15 102.673 0.400 . 1 . . . A 414 GLY N . 25188 1 852 . 1 1 69 69 PHE H H 1 9.036 0.020 . 1 . . . A 415 PHE H . 25188 1 853 . 1 1 69 69 PHE HA H 1 5.826 0.020 . 1 . . . A 415 PHE HA . 25188 1 854 . 1 1 69 69 PHE HB2 H 1 2.842 0.020 . 2 . . . A 415 PHE HB2 . 25188 1 855 . 1 1 69 69 PHE HB3 H 1 2.842 0.020 . 2 . . . A 415 PHE HB3 . 25188 1 856 . 1 1 69 69 PHE HD1 H 1 6.050 0.020 . 1 . . . A 415 PHE HD1 . 25188 1 857 . 1 1 69 69 PHE HD2 H 1 6.050 0.020 . 1 . . . A 415 PHE HD2 . 25188 1 858 . 1 1 69 69 PHE HE1 H 1 6.890 0.020 . 1 . . . A 415 PHE HE1 . 25188 1 859 . 1 1 69 69 PHE HE2 H 1 6.890 0.020 . 1 . . . A 415 PHE HE2 . 25188 1 860 . 1 1 69 69 PHE C C 13 173.285 0.400 . 1 . . . A 415 PHE C . 25188 1 861 . 1 1 69 69 PHE CA C 13 56.479 0.400 . 1 . . . A 415 PHE CA . 25188 1 862 . 1 1 69 69 PHE CB C 13 42.376 0.400 . 1 . . . A 415 PHE CB . 25188 1 863 . 1 1 69 69 PHE CD2 C 13 132.005 0.400 . 1 . . . A 415 PHE CD2 . 25188 1 864 . 1 1 69 69 PHE CE2 C 13 130.827 0.400 . 1 . . . A 415 PHE CE2 . 25188 1 865 . 1 1 69 69 PHE N N 15 112.044 0.400 . 1 . . . A 415 PHE N . 25188 1 866 . 1 1 70 70 ALA H H 1 9.242 0.020 . 1 . . . A 416 ALA H . 25188 1 867 . 1 1 70 70 ALA HA H 1 4.641 0.020 . 1 . . . A 416 ALA HA . 25188 1 868 . 1 1 70 70 ALA HB1 H 1 0.080 0.020 . 1 . . . A 416 ALA HB1 . 25188 1 869 . 1 1 70 70 ALA HB2 H 1 0.080 0.020 . 1 . . . A 416 ALA HB2 . 25188 1 870 . 1 1 70 70 ALA HB3 H 1 0.080 0.020 . 1 . . . A 416 ALA HB3 . 25188 1 871 . 1 1 70 70 ALA C C 13 173.540 0.400 . 1 . . . A 416 ALA C . 25188 1 872 . 1 1 70 70 ALA CA C 13 50.050 0.400 . 1 . . . A 416 ALA CA . 25188 1 873 . 1 1 70 70 ALA CB C 13 24.314 0.400 . 1 . . . A 416 ALA CB . 25188 1 874 . 1 1 70 70 ALA N N 15 123.879 0.400 . 1 . . . A 416 ALA N . 25188 1 875 . 1 1 71 71 ARG H H 1 8.884 0.020 . 1 . . . A 417 ARG H . 25188 1 876 . 1 1 71 71 ARG HA H 1 5.186 0.020 . 1 . . . A 417 ARG HA . 25188 1 877 . 1 1 71 71 ARG HB2 H 1 1.390 0.020 . 1 . . . A 417 ARG HB2 . 25188 1 878 . 1 1 71 71 ARG HB3 H 1 1.806 0.020 . 1 . . . A 417 ARG HB3 . 25188 1 879 . 1 1 71 71 ARG HG2 H 1 1.525 0.020 . 2 . . . A 417 ARG HG2 . 25188 1 880 . 1 1 71 71 ARG HG3 H 1 1.791 0.020 . 2 . . . A 417 ARG HG3 . 25188 1 881 . 1 1 71 71 ARG HD2 H 1 3.090 0.020 . 1 . . . A 417 ARG HD2 . 25188 1 882 . 1 1 71 71 ARG HD3 H 1 3.169 0.020 . 1 . . . A 417 ARG HD3 . 25188 1 883 . 1 1 71 71 ARG HE H 1 7.508 0.020 . 1 . . . A 417 ARG HE . 25188 1 884 . 1 1 71 71 ARG C C 13 175.969 0.400 . 1 . . . A 417 ARG C . 25188 1 885 . 1 1 71 71 ARG CA C 13 53.824 0.400 . 1 . . . A 417 ARG CA . 25188 1 886 . 1 1 71 71 ARG CB C 13 33.132 0.400 . 1 . . . A 417 ARG CB . 25188 1 887 . 1 1 71 71 ARG CG C 13 27.636 0.400 . 1 . . . A 417 ARG CG . 25188 1 888 . 1 1 71 71 ARG CD C 13 44.148 0.400 . 1 . . . A 417 ARG CD . 25188 1 889 . 1 1 71 71 ARG N N 15 121.136 0.400 . 1 . . . A 417 ARG N . 25188 1 890 . 1 1 71 71 ARG NE N 15 83.896 0.400 . 1 . . . A 417 ARG NE . 25188 1 891 . 1 1 72 72 LEU H H 1 8.977 0.020 . 1 . . . A 418 LEU H . 25188 1 892 . 1 1 72 72 LEU HA H 1 4.303 0.020 . 1 . . . A 418 LEU HA . 25188 1 893 . 1 1 72 72 LEU HB2 H 1 1.276 0.020 . 1 . . . A 418 LEU HB2 . 25188 1 894 . 1 1 72 72 LEU HB3 H 1 2.056 0.020 . 1 . . . A 418 LEU HB3 . 25188 1 895 . 1 1 72 72 LEU HG H 1 1.654 0.020 . 1 . . . A 418 LEU HG . 25188 1 896 . 1 1 72 72 LEU HD11 H 1 0.776 0.020 . 2 . . . A 418 LEU HD11 . 25188 1 897 . 1 1 72 72 LEU HD12 H 1 0.776 0.020 . 2 . . . A 418 LEU HD12 . 25188 1 898 . 1 1 72 72 LEU HD13 H 1 0.776 0.020 . 2 . . . A 418 LEU HD13 . 25188 1 899 . 1 1 72 72 LEU HD21 H 1 0.674 0.020 . 2 . . . A 418 LEU HD21 . 25188 1 900 . 1 1 72 72 LEU HD22 H 1 0.674 0.020 . 2 . . . A 418 LEU HD22 . 25188 1 901 . 1 1 72 72 LEU HD23 H 1 0.674 0.020 . 2 . . . A 418 LEU HD23 . 25188 1 902 . 1 1 72 72 LEU C C 13 176.662 0.400 . 1 . . . A 418 LEU C . 25188 1 903 . 1 1 72 72 LEU CA C 13 56.045 0.400 . 1 . . . A 418 LEU CA . 25188 1 904 . 1 1 72 72 LEU CB C 13 44.154 0.400 . 1 . . . A 418 LEU CB . 25188 1 905 . 1 1 72 72 LEU CG C 13 26.558 0.400 . 1 . . . A 418 LEU CG . 25188 1 906 . 1 1 72 72 LEU CD1 C 13 24.344 0.400 . 1 . . . A 418 LEU CD1 . 25188 1 907 . 1 1 72 72 LEU CD2 C 13 26.990 0.400 . 1 . . . A 418 LEU CD2 . 25188 1 908 . 1 1 72 72 LEU N N 15 128.327 0.400 . 1 . . . A 418 LEU N . 25188 1 909 . 1 1 73 73 SER H H 1 9.082 0.020 . 1 . . . A 419 SER H . 25188 1 910 . 1 1 73 73 SER HA H 1 4.985 0.020 . 1 . . . A 419 SER HA . 25188 1 911 . 1 1 73 73 SER HB2 H 1 3.770 0.020 . 1 . . . A 419 SER HB2 . 25188 1 912 . 1 1 73 73 SER HB3 H 1 3.576 0.020 . 1 . . . A 419 SER HB3 . 25188 1 913 . 1 1 73 73 SER C C 13 173.808 0.400 . 1 . . . A 419 SER C . 25188 1 914 . 1 1 73 73 SER CA C 13 57.791 0.400 . 1 . . . A 419 SER CA . 25188 1 915 . 1 1 73 73 SER CB C 13 64.487 0.400 . 1 . . . A 419 SER CB . 25188 1 916 . 1 1 73 73 SER N N 15 120.522 0.400 . 1 . . . A 419 SER N . 25188 1 917 . 1 1 74 74 SER H H 1 7.646 0.020 . 1 . . . A 420 SER H . 25188 1 918 . 1 1 74 74 SER HA H 1 4.073 0.020 . 1 . . . A 420 SER HA . 25188 1 919 . 1 1 74 74 SER HB2 H 1 4.152 0.020 . 1 . . . A 420 SER HB2 . 25188 1 920 . 1 1 74 74 SER HB3 H 1 3.658 0.020 . 1 . . . A 420 SER HB3 . 25188 1 921 . 1 1 74 74 SER C C 13 170.592 0.400 . 1 . . . A 420 SER C . 25188 1 922 . 1 1 74 74 SER CA C 13 57.619 0.400 . 1 . . . A 420 SER CA . 25188 1 923 . 1 1 74 74 SER CB C 13 67.048 0.400 . 1 . . . A 420 SER CB . 25188 1 924 . 1 1 74 74 SER N N 15 117.374 0.400 . 1 . . . A 420 SER N . 25188 1 925 . 1 1 75 75 GLU H H 1 7.531 0.020 . 1 . . . A 421 GLU H . 25188 1 926 . 1 1 75 75 GLU HA H 1 4.475 0.020 . 1 . . . A 421 GLU HA . 25188 1 927 . 1 1 75 75 GLU HB2 H 1 1.768 0.020 . 1 . . . A 421 GLU HB2 . 25188 1 928 . 1 1 75 75 GLU HB3 H 1 2.105 0.020 . 1 . . . A 421 GLU HB3 . 25188 1 929 . 1 1 75 75 GLU HG2 H 1 2.279 0.020 . 1 . . . A 421 GLU HG2 . 25188 1 930 . 1 1 75 75 GLU HG3 H 1 2.343 0.020 . 1 . . . A 421 GLU HG3 . 25188 1 931 . 1 1 75 75 GLU C C 13 178.184 0.400 . 1 . . . A 421 GLU C . 25188 1 932 . 1 1 75 75 GLU CA C 13 55.489 0.400 . 1 . . . A 421 GLU CA . 25188 1 933 . 1 1 75 75 GLU CB C 13 31.745 0.400 . 1 . . . A 421 GLU CB . 25188 1 934 . 1 1 75 75 GLU CG C 13 37.929 0.400 . 1 . . . A 421 GLU CG . 25188 1 935 . 1 1 75 75 GLU N N 15 113.100 0.400 . 1 . . . A 421 GLU N . 25188 1 936 . 1 1 76 76 SER H H 1 9.304 0.020 . 1 . . . A 422 SER H . 25188 1 937 . 1 1 76 76 SER HA H 1 3.321 0.020 . 1 . . . A 422 SER HA . 25188 1 938 . 1 1 76 76 SER HB2 H 1 2.072 0.020 . 2 . . . A 422 SER HB2 . 25188 1 939 . 1 1 76 76 SER HB3 H 1 2.516 0.020 . 2 . . . A 422 SER HB3 . 25188 1 940 . 1 1 76 76 SER C C 13 174.399 0.400 . 1 . . . A 422 SER C . 25188 1 941 . 1 1 76 76 SER CA C 13 57.971 0.400 . 1 . . . A 422 SER CA . 25188 1 942 . 1 1 76 76 SER CB C 13 61.833 0.400 . 1 . . . A 422 SER CB . 25188 1 943 . 1 1 76 76 SER N N 15 120.216 0.400 . 1 . . . A 422 SER N . 25188 1 944 . 1 1 77 77 HIS H H 1 8.196 0.020 . 1 . . . A 423 HIS H . 25188 1 945 . 1 1 77 77 HIS HA H 1 4.825 0.020 . 1 . . . A 423 HIS HA . 25188 1 946 . 1 1 77 77 HIS HB2 H 1 3.018 0.020 . 1 . . . A 423 HIS HB2 . 25188 1 947 . 1 1 77 77 HIS HB3 H 1 2.989 0.020 . 1 . . . A 423 HIS HB3 . 25188 1 948 . 1 1 77 77 HIS HD2 H 1 6.916 0.020 . 1 . . . A 423 HIS HD2 . 25188 1 949 . 1 1 77 77 HIS HE1 H 1 7.754 0.020 . 1 . . . A 423 HIS HE1 . 25188 1 950 . 1 1 77 77 HIS CA C 13 55.067 0.400 . 1 . . . A 423 HIS CA . 25188 1 951 . 1 1 77 77 HIS CB C 13 32.920 0.400 . 1 . . . A 423 HIS CB . 25188 1 952 . 1 1 77 77 HIS CD2 C 13 120.361 0.400 . 1 . . . A 423 HIS CD2 . 25188 1 953 . 1 1 77 77 HIS CE1 C 13 137.694 0.400 . 1 . . . A 423 HIS CE1 . 25188 1 954 . 1 1 77 77 HIS N N 15 118.768 0.400 . 1 . . . A 423 HIS N . 25188 1 955 . 1 1 78 78 HIS HB2 H 1 2.789 0.020 . 2 . . . A 424 HIS HB2 . 25188 1 956 . 1 1 78 78 HIS HB3 H 1 3.002 0.020 . 2 . . . A 424 HIS HB3 . 25188 1 957 . 1 1 78 78 HIS HD2 H 1 6.732 0.020 . 1 . . . A 424 HIS HD2 . 25188 1 958 . 1 1 78 78 HIS CA C 13 57.006 0.400 . 1 . . . A 424 HIS CA . 25188 1 959 . 1 1 78 78 HIS CB C 13 32.071 0.400 . 1 . . . A 424 HIS CB . 25188 1 960 . 1 1 78 78 HIS CD2 C 13 117.320 0.400 . 1 . . . A 424 HIS CD2 . 25188 1 961 . 1 1 79 79 GLY H H 1 8.445 0.020 . 1 . . . A 425 GLY H . 25188 1 962 . 1 1 79 79 GLY CA C 13 45.859 0.400 . 1 . . . A 425 GLY CA . 25188 1 963 . 1 1 79 79 GLY N N 15 109.164 0.400 . 1 . . . A 425 GLY N . 25188 1 964 . 1 1 80 80 GLY H H 1 8.280 0.020 . 1 . . . A 426 GLY H . 25188 1 965 . 1 1 80 80 GLY HA2 H 1 3.839 0.020 . 2 . . . A 426 GLY HA2 . 25188 1 966 . 1 1 80 80 GLY HA3 H 1 4.119 0.020 . 2 . . . A 426 GLY HA3 . 25188 1 967 . 1 1 80 80 GLY CA C 13 44.023 0.400 . 1 . . . A 426 GLY CA . 25188 1 968 . 1 1 80 80 GLY N N 15 108.287 0.400 . 1 . . . A 426 GLY N . 25188 1 969 . 1 1 81 81 SER H H 1 8.323 0.020 . 1 . . . A 427 SER H . 25188 1 970 . 1 1 81 81 SER HA H 1 4.524 0.020 . 1 . . . A 427 SER HA . 25188 1 971 . 1 1 81 81 SER HB2 H 1 3.676 0.020 . 2 . . . A 427 SER HB2 . 25188 1 972 . 1 1 81 81 SER HB3 H 1 3.792 0.020 . 2 . . . A 427 SER HB3 . 25188 1 973 . 1 1 81 81 SER CA C 13 56.885 0.400 . 1 . . . A 427 SER CA . 25188 1 974 . 1 1 81 81 SER CB C 13 62.560 0.400 . 1 . . . A 427 SER CB . 25188 1 975 . 1 1 81 81 SER N N 15 117.704 0.400 . 1 . . . A 427 SER N . 25188 1 976 . 1 1 82 82 PRO HA H 1 4.176 0.020 . 1 . . . A 428 PRO HA . 25188 1 977 . 1 1 82 82 PRO HB2 H 1 1.476 0.020 . 2 . . . A 428 PRO HB2 . 25188 1 978 . 1 1 82 82 PRO HB3 H 1 2.087 0.020 . 2 . . . A 428 PRO HB3 . 25188 1 979 . 1 1 82 82 PRO HG2 H 1 1.902 0.020 . 2 . . . A 428 PRO HG2 . 25188 1 980 . 1 1 82 82 PRO HG3 H 1 1.932 0.020 . 2 . . . A 428 PRO HG3 . 25188 1 981 . 1 1 82 82 PRO HD2 H 1 3.597 0.020 . 2 . . . A 428 PRO HD2 . 25188 1 982 . 1 1 82 82 PRO HD3 H 1 3.791 0.020 . 2 . . . A 428 PRO HD3 . 25188 1 983 . 1 1 82 82 PRO CA C 13 62.935 0.400 . 1 . . . A 428 PRO CA . 25188 1 984 . 1 1 82 82 PRO CB C 13 31.980 0.400 . 1 . . . A 428 PRO CB . 25188 1 985 . 1 1 82 82 PRO CG C 13 27.346 0.400 . 1 . . . A 428 PRO CG . 25188 1 986 . 1 1 82 82 PRO CD C 13 50.535 0.400 . 1 . . . A 428 PRO CD . 25188 1 987 . 1 1 83 83 ILE H H 1 7.971 0.020 . 1 . . . A 429 ILE H . 25188 1 988 . 1 1 83 83 ILE HA H 1 3.589 0.020 . 1 . . . A 429 ILE HA . 25188 1 989 . 1 1 83 83 ILE HB H 1 0.943 0.020 . 1 . . . A 429 ILE HB . 25188 1 990 . 1 1 83 83 ILE HG12 H 1 1.076 0.020 . 1 . . . A 429 ILE HG12 . 25188 1 991 . 1 1 83 83 ILE HG13 H 1 0.887 0.020 . 1 . . . A 429 ILE HG13 . 25188 1 992 . 1 1 83 83 ILE HG21 H 1 -0.673 0.020 . 1 . . . A 429 ILE HG21 . 25188 1 993 . 1 1 83 83 ILE HG22 H 1 -0.673 0.020 . 1 . . . A 429 ILE HG22 . 25188 1 994 . 1 1 83 83 ILE HG23 H 1 -0.673 0.020 . 1 . . . A 429 ILE HG23 . 25188 1 995 . 1 1 83 83 ILE HD11 H 1 0.427 0.020 . 1 . . . A 429 ILE HD11 . 25188 1 996 . 1 1 83 83 ILE HD12 H 1 0.427 0.020 . 1 . . . A 429 ILE HD12 . 25188 1 997 . 1 1 83 83 ILE HD13 H 1 0.427 0.020 . 1 . . . A 429 ILE HD13 . 25188 1 998 . 1 1 83 83 ILE CA C 13 58.257 0.400 . 1 . . . A 429 ILE CA . 25188 1 999 . 1 1 83 83 ILE CB C 13 36.834 0.400 . 1 . . . A 429 ILE CB . 25188 1 1000 . 1 1 83 83 ILE CG1 C 13 26.848 0.400 . 1 . . . A 429 ILE CG1 . 25188 1 1001 . 1 1 83 83 ILE CG2 C 13 16.133 0.400 . 1 . . . A 429 ILE CG2 . 25188 1 1002 . 1 1 83 83 ILE CD1 C 13 10.437 0.400 . 1 . . . A 429 ILE CD1 . 25188 1 1003 . 1 1 83 83 ILE N N 15 122.475 0.400 . 1 . . . A 429 ILE N . 25188 1 1004 . 1 1 84 84 HIS H H 1 8.331 0.020 . 1 . . . A 430 HIS H . 25188 1 1005 . 1 1 84 84 HIS HA H 1 4.561 0.020 . 1 . . . A 430 HIS HA . 25188 1 1006 . 1 1 84 84 HIS HB2 H 1 2.826 0.020 . 2 . . . A 430 HIS HB2 . 25188 1 1007 . 1 1 84 84 HIS HB3 H 1 2.959 0.020 . 2 . . . A 430 HIS HB3 . 25188 1 1008 . 1 1 84 84 HIS HD2 H 1 6.842 0.020 . 1 . . . A 430 HIS HD2 . 25188 1 1009 . 1 1 84 84 HIS C C 13 174.520 0.400 . 1 . . . A 430 HIS C . 25188 1 1010 . 1 1 84 84 HIS CA C 13 54.317 0.400 . 1 . . . A 430 HIS CA . 25188 1 1011 . 1 1 84 84 HIS CB C 13 27.572 0.400 . 1 . . . A 430 HIS CB . 25188 1 1012 . 1 1 84 84 HIS CD2 C 13 119.111 0.400 . 1 . . . A 430 HIS CD2 . 25188 1 1013 . 1 1 84 84 HIS N N 15 127.083 0.400 . 1 . . . A 430 HIS N . 25188 1 1014 . 1 1 85 85 TRP H H 1 7.281 0.020 . 1 . . . A 431 TRP H . 25188 1 1015 . 1 1 85 85 TRP HA H 1 4.429 0.020 . 1 . . . A 431 TRP HA . 25188 1 1016 . 1 1 85 85 TRP HB2 H 1 2.573 0.020 . 1 . . . A 431 TRP HB2 . 25188 1 1017 . 1 1 85 85 TRP HB3 H 1 3.079 0.020 . 1 . . . A 431 TRP HB3 . 25188 1 1018 . 1 1 85 85 TRP HD1 H 1 7.054 0.020 . 1 . . . A 431 TRP HD1 . 25188 1 1019 . 1 1 85 85 TRP HE1 H 1 9.642 0.020 . 1 . . . A 431 TRP HE1 . 25188 1 1020 . 1 1 85 85 TRP HE3 H 1 7.400 0.020 . 1 . . . A 431 TRP HE3 . 25188 1 1021 . 1 1 85 85 TRP HZ2 H 1 7.066 0.020 . 1 . . . A 431 TRP HZ2 . 25188 1 1022 . 1 1 85 85 TRP HZ3 H 1 7.720 0.020 . 1 . . . A 431 TRP HZ3 . 25188 1 1023 . 1 1 85 85 TRP C C 13 176.822 0.400 . 1 . . . A 431 TRP C . 25188 1 1024 . 1 1 85 85 TRP CA C 13 56.409 0.400 . 1 . . . A 431 TRP CA . 25188 1 1025 . 1 1 85 85 TRP CB C 13 31.328 0.400 . 1 . . . A 431 TRP CB . 25188 1 1026 . 1 1 85 85 TRP CD1 C 13 128.066 0.400 . 1 . . . A 431 TRP CD1 . 25188 1 1027 . 1 1 85 85 TRP CE3 C 13 119.710 0.400 . 1 . . . A 431 TRP CE3 . 25188 1 1028 . 1 1 85 85 TRP CZ2 C 13 113.723 0.400 . 1 . . . A 431 TRP CZ2 . 25188 1 1029 . 1 1 85 85 TRP CZ3 C 13 122.296 0.400 . 1 . . . A 431 TRP CZ3 . 25188 1 1030 . 1 1 85 85 TRP N N 15 121.510 0.400 . 1 . . . A 431 TRP N . 25188 1 1031 . 1 1 85 85 TRP NE1 N 15 127.188 0.400 . 1 . . . A 431 TRP NE1 . 25188 1 1032 . 1 1 86 86 VAL H H 1 10.111 0.020 . 1 . . . A 432 VAL H . 25188 1 1033 . 1 1 86 86 VAL HA H 1 3.986 0.020 . 1 . . . A 432 VAL HA . 25188 1 1034 . 1 1 86 86 VAL HB H 1 2.102 0.020 . 1 . . . A 432 VAL HB . 25188 1 1035 . 1 1 86 86 VAL HG11 H 1 0.821 0.020 . 2 . . . A 432 VAL HG11 . 25188 1 1036 . 1 1 86 86 VAL HG12 H 1 0.821 0.020 . 2 . . . A 432 VAL HG12 . 25188 1 1037 . 1 1 86 86 VAL HG13 H 1 0.821 0.020 . 2 . . . A 432 VAL HG13 . 25188 1 1038 . 1 1 86 86 VAL HG21 H 1 1.035 0.020 . 2 . . . A 432 VAL HG21 . 25188 1 1039 . 1 1 86 86 VAL HG22 H 1 1.035 0.020 . 2 . . . A 432 VAL HG22 . 25188 1 1040 . 1 1 86 86 VAL HG23 H 1 1.035 0.020 . 2 . . . A 432 VAL HG23 . 25188 1 1041 . 1 1 86 86 VAL C C 13 176.994 0.400 . 1 . . . A 432 VAL C . 25188 1 1042 . 1 1 86 86 VAL CA C 13 63.019 0.400 . 1 . . . A 432 VAL CA . 25188 1 1043 . 1 1 86 86 VAL CB C 13 31.058 0.400 . 1 . . . A 432 VAL CB . 25188 1 1044 . 1 1 86 86 VAL CG1 C 13 21.031 0.400 . 1 . . . A 432 VAL CG1 . 25188 1 1045 . 1 1 86 86 VAL CG2 C 13 21.390 0.400 . 1 . . . A 432 VAL CG2 . 25188 1 1046 . 1 1 86 86 VAL N N 15 125.558 0.400 . 1 . . . A 432 VAL N . 25188 1 1047 . 1 1 87 87 LEU H H 1 8.648 0.020 . 1 . . . A 433 LEU H . 25188 1 1048 . 1 1 87 87 LEU HA H 1 4.454 0.020 . 1 . . . A 433 LEU HA . 25188 1 1049 . 1 1 87 87 LEU HB2 H 1 1.251 0.020 . 1 . . . A 433 LEU HB2 . 25188 1 1050 . 1 1 87 87 LEU HB3 H 1 1.667 0.020 . 1 . . . A 433 LEU HB3 . 25188 1 1051 . 1 1 87 87 LEU HG H 1 1.601 0.020 . 1 . . . A 433 LEU HG . 25188 1 1052 . 1 1 87 87 LEU HD11 H 1 0.800 0.020 . 2 . . . A 433 LEU HD11 . 25188 1 1053 . 1 1 87 87 LEU HD12 H 1 0.800 0.020 . 2 . . . A 433 LEU HD12 . 25188 1 1054 . 1 1 87 87 LEU HD13 H 1 0.800 0.020 . 2 . . . A 433 LEU HD13 . 25188 1 1055 . 1 1 87 87 LEU HD21 H 1 0.544 0.020 . 2 . . . A 433 LEU HD21 . 25188 1 1056 . 1 1 87 87 LEU HD22 H 1 0.544 0.020 . 2 . . . A 433 LEU HD22 . 25188 1 1057 . 1 1 87 87 LEU HD23 H 1 0.544 0.020 . 2 . . . A 433 LEU HD23 . 25188 1 1058 . 1 1 87 87 LEU CA C 13 52.182 0.400 . 1 . . . A 433 LEU CA . 25188 1 1059 . 1 1 87 87 LEU CB C 13 41.421 0.400 . 1 . . . A 433 LEU CB . 25188 1 1060 . 1 1 87 87 LEU CG C 13 26.205 0.400 . 1 . . . A 433 LEU CG . 25188 1 1061 . 1 1 87 87 LEU CD1 C 13 25.537 0.400 . 1 . . . A 433 LEU CD1 . 25188 1 1062 . 1 1 87 87 LEU CD2 C 13 23.331 0.400 . 1 . . . A 433 LEU CD2 . 25188 1 1063 . 1 1 87 87 LEU N N 15 131.040 0.400 . 1 . . . A 433 LEU N . 25188 1 1064 . 1 1 88 88 PRO HA H 1 4.465 0.020 . 1 . . . A 434 PRO HA . 25188 1 1065 . 1 1 88 88 PRO HB2 H 1 2.440 0.020 . 1 . . . A 434 PRO HB2 . 25188 1 1066 . 1 1 88 88 PRO HB3 H 1 1.856 0.020 . 1 . . . A 434 PRO HB3 . 25188 1 1067 . 1 1 88 88 PRO HG2 H 1 1.946 0.020 . 1 . . . A 434 PRO HG2 . 25188 1 1068 . 1 1 88 88 PRO HG3 H 1 1.861 0.020 . 1 . . . A 434 PRO HG3 . 25188 1 1069 . 1 1 88 88 PRO HD2 H 1 3.599 0.020 . 1 . . . A 434 PRO HD2 . 25188 1 1070 . 1 1 88 88 PRO HD3 H 1 4.060 0.020 . 1 . . . A 434 PRO HD3 . 25188 1 1071 . 1 1 88 88 PRO C C 13 175.318 0.400 . 1 . . . A 434 PRO C . 25188 1 1072 . 1 1 88 88 PRO CA C 13 61.780 0.400 . 1 . . . A 434 PRO CA . 25188 1 1073 . 1 1 88 88 PRO CB C 13 32.495 0.400 . 1 . . . A 434 PRO CB . 25188 1 1074 . 1 1 88 88 PRO CG C 13 28.398 0.400 . 1 . . . A 434 PRO CG . 25188 1 1075 . 1 1 88 88 PRO CD C 13 50.779 0.400 . 1 . . . A 434 PRO CD . 25188 1 1076 . 1 1 89 89 ALA H H 1 8.430 0.020 . 1 . . . A 435 ALA H . 25188 1 1077 . 1 1 89 89 ALA HA H 1 4.101 0.020 . 1 . . . A 435 ALA HA . 25188 1 1078 . 1 1 89 89 ALA HB1 H 1 1.379 0.020 . 1 . . . A 435 ALA HB1 . 25188 1 1079 . 1 1 89 89 ALA HB2 H 1 1.379 0.020 . 1 . . . A 435 ALA HB2 . 25188 1 1080 . 1 1 89 89 ALA HB3 H 1 1.379 0.020 . 1 . . . A 435 ALA HB3 . 25188 1 1081 . 1 1 89 89 ALA CA C 13 53.801 0.400 . 1 . . . A 435 ALA CA . 25188 1 1082 . 1 1 89 89 ALA CB C 13 17.937 0.400 . 1 . . . A 435 ALA CB . 25188 1 1083 . 1 1 89 89 ALA N N 15 124.253 0.400 . 1 . . . A 435 ALA N . 25188 1 1084 . 1 1 90 90 GLY H H 1 8.651 0.020 . 1 . . . A 436 GLY H . 25188 1 1085 . 1 1 90 90 GLY HA2 H 1 3.631 0.020 . 2 . . . A 436 GLY HA2 . 25188 1 1086 . 1 1 90 90 GLY HA3 H 1 4.215 0.020 . 2 . . . A 436 GLY HA3 . 25188 1 1087 . 1 1 90 90 GLY C C 13 173.989 0.400 . 1 . . . A 436 GLY C . 25188 1 1088 . 1 1 90 90 GLY CA C 13 45.132 0.400 . 1 . . . A 436 GLY CA . 25188 1 1089 . 1 1 90 90 GLY N N 15 110.835 0.400 . 1 . . . A 436 GLY N . 25188 1 1090 . 1 1 91 91 MET H H 1 7.912 0.020 . 1 . . . A 437 MET H . 25188 1 1091 . 1 1 91 91 MET HA H 1 4.631 0.020 . 1 . . . A 437 MET HA . 25188 1 1092 . 1 1 91 91 MET HB2 H 1 1.678 0.020 . 2 . . . A 437 MET HB2 . 25188 1 1093 . 1 1 91 91 MET HB3 H 1 1.823 0.020 . 2 . . . A 437 MET HB3 . 25188 1 1094 . 1 1 91 91 MET HG2 H 1 2.250 0.020 . 2 . . . A 437 MET HG2 . 25188 1 1095 . 1 1 91 91 MET HG3 H 1 2.250 0.020 . 2 . . . A 437 MET HG3 . 25188 1 1096 . 1 1 91 91 MET HE1 H 1 1.629 0.020 . 1 . . . A 437 MET HE1 . 25188 1 1097 . 1 1 91 91 MET HE2 H 1 1.629 0.020 . 1 . . . A 437 MET HE2 . 25188 1 1098 . 1 1 91 91 MET HE3 H 1 1.629 0.020 . 1 . . . A 437 MET HE3 . 25188 1 1099 . 1 1 91 91 MET C C 13 174.776 0.400 . 1 . . . A 437 MET C . 25188 1 1100 . 1 1 91 91 MET CA C 13 55.293 0.400 . 1 . . . A 437 MET CA . 25188 1 1101 . 1 1 91 91 MET CB C 13 34.209 0.400 . 1 . . . A 437 MET CB . 25188 1 1102 . 1 1 91 91 MET CG C 13 32.857 0.400 . 1 . . . A 437 MET CG . 25188 1 1103 . 1 1 91 91 MET CE C 13 17.648 0.400 . 1 . . . A 437 MET CE . 25188 1 1104 . 1 1 91 91 MET N N 15 120.075 0.400 . 1 . . . A 437 MET N . 25188 1 1105 . 1 1 92 92 SER H H 1 7.761 0.020 . 1 . . . A 438 SER H . 25188 1 1106 . 1 1 92 92 SER HA H 1 4.639 0.020 . 1 . . . A 438 SER HA . 25188 1 1107 . 1 1 92 92 SER HB2 H 1 3.792 0.020 . 2 . . . A 438 SER HB2 . 25188 1 1108 . 1 1 92 92 SER HB3 H 1 4.076 0.020 . 2 . . . A 438 SER HB3 . 25188 1 1109 . 1 1 92 92 SER CA C 13 56.132 0.400 . 1 . . . A 438 SER CA . 25188 1 1110 . 1 1 92 92 SER CB C 13 65.401 0.400 . 1 . . . A 438 SER CB . 25188 1 1111 . 1 1 92 92 SER N N 15 116.658 0.400 . 1 . . . A 438 SER N . 25188 1 1112 . 1 1 93 93 ALA H H 1 8.866 0.020 . 1 . . . A 439 ALA H . 25188 1 1113 . 1 1 93 93 ALA HA H 1 3.895 0.020 . 1 . . . A 439 ALA HA . 25188 1 1114 . 1 1 93 93 ALA HB1 H 1 1.440 0.020 . 1 . . . A 439 ALA HB1 . 25188 1 1115 . 1 1 93 93 ALA HB2 H 1 1.440 0.020 . 1 . . . A 439 ALA HB2 . 25188 1 1116 . 1 1 93 93 ALA HB3 H 1 1.440 0.020 . 1 . . . A 439 ALA HB3 . 25188 1 1117 . 1 1 93 93 ALA CA C 13 54.959 0.400 . 1 . . . A 439 ALA CA . 25188 1 1118 . 1 1 93 93 ALA CB C 13 17.885 0.400 . 1 . . . A 439 ALA CB . 25188 1 1119 . 1 1 93 93 ALA N N 15 124.466 0.400 . 1 . . . A 439 ALA N . 25188 1 1120 . 1 1 94 94 LYS HA H 1 4.090 0.020 . 1 . . . A 440 LYS HA . 25188 1 1121 . 1 1 94 94 LYS HB2 H 1 1.772 0.020 . 2 . . . A 440 LYS HB2 . 25188 1 1122 . 1 1 94 94 LYS HB3 H 1 1.772 0.020 . 2 . . . A 440 LYS HB3 . 25188 1 1123 . 1 1 94 94 LYS HG2 H 1 1.403 0.020 . 2 . . . A 440 LYS HG2 . 25188 1 1124 . 1 1 94 94 LYS HG3 H 1 1.403 0.020 . 2 . . . A 440 LYS HG3 . 25188 1 1125 . 1 1 94 94 LYS HD2 H 1 1.633 0.020 . 2 . . . A 440 LYS HD2 . 25188 1 1126 . 1 1 94 94 LYS HD3 H 1 1.633 0.020 . 2 . . . A 440 LYS HD3 . 25188 1 1127 . 1 1 94 94 LYS HE2 H 1 2.952 0.020 . 2 . . . A 440 LYS HE2 . 25188 1 1128 . 1 1 94 94 LYS HE3 H 1 2.952 0.020 . 2 . . . A 440 LYS HE3 . 25188 1 1129 . 1 1 94 94 LYS C C 13 178.368 0.400 . 1 . . . A 440 LYS C . 25188 1 1130 . 1 1 94 94 LYS CA C 13 57.505 0.400 . 1 . . . A 440 LYS CA . 25188 1 1131 . 1 1 94 94 LYS CB C 13 31.982 0.400 . 1 . . . A 440 LYS CB . 25188 1 1132 . 1 1 94 94 LYS CG C 13 24.608 0.400 . 1 . . . A 440 LYS CG . 25188 1 1133 . 1 1 94 94 LYS CD C 13 29.065 0.400 . 1 . . . A 440 LYS CD . 25188 1 1134 . 1 1 94 94 LYS CE C 13 41.911 0.400 . 1 . . . A 440 LYS CE . 25188 1 1135 . 1 1 95 95 MET H H 1 7.576 0.020 . 1 . . . A 441 MET H . 25188 1 1136 . 1 1 95 95 MET HA H 1 4.027 0.020 . 1 . . . A 441 MET HA . 25188 1 1137 . 1 1 95 95 MET HB2 H 1 2.551 0.020 . 2 . . . A 441 MET HB2 . 25188 1 1138 . 1 1 95 95 MET HB3 H 1 2.583 0.020 . 2 . . . A 441 MET HB3 . 25188 1 1139 . 1 1 95 95 MET HE1 H 1 2.106 0.020 . 1 . . . A 441 MET HE1 . 25188 1 1140 . 1 1 95 95 MET HE2 H 1 2.106 0.020 . 1 . . . A 441 MET HE2 . 25188 1 1141 . 1 1 95 95 MET HE3 H 1 2.106 0.020 . 1 . . . A 441 MET HE3 . 25188 1 1142 . 1 1 95 95 MET C C 13 174.546 0.400 . 1 . . . A 441 MET C . 25188 1 1143 . 1 1 95 95 MET CA C 13 57.821 0.400 . 1 . . . A 441 MET CA . 25188 1 1144 . 1 1 95 95 MET CB C 13 32.662 0.400 . 1 . . . A 441 MET CB . 25188 1 1145 . 1 1 95 95 MET CE C 13 17.247 0.400 . 1 . . . A 441 MET CE . 25188 1 1146 . 1 1 95 95 MET N N 15 118.750 0.400 . 1 . . . A 441 MET N . 25188 1 1147 . 1 1 96 96 LEU H H 1 6.724 0.020 . 1 . . . A 442 LEU H . 25188 1 1148 . 1 1 96 96 LEU HA H 1 4.370 0.020 . 1 . . . A 442 LEU HA . 25188 1 1149 . 1 1 96 96 LEU HB2 H 1 1.171 0.020 . 2 . . . A 442 LEU HB2 . 25188 1 1150 . 1 1 96 96 LEU HB3 H 1 1.334 0.020 . 2 . . . A 442 LEU HB3 . 25188 1 1151 . 1 1 96 96 LEU HG H 1 0.970 0.020 . 1 . . . A 442 LEU HG . 25188 1 1152 . 1 1 96 96 LEU HD11 H 1 0.029 0.020 . 2 . . . A 442 LEU HD11 . 25188 1 1153 . 1 1 96 96 LEU HD12 H 1 0.029 0.020 . 2 . . . A 442 LEU HD12 . 25188 1 1154 . 1 1 96 96 LEU HD13 H 1 0.029 0.020 . 2 . . . A 442 LEU HD13 . 25188 1 1155 . 1 1 96 96 LEU HD21 H 1 -0.097 0.020 . 2 . . . A 442 LEU HD21 . 25188 1 1156 . 1 1 96 96 LEU HD22 H 1 -0.097 0.020 . 2 . . . A 442 LEU HD22 . 25188 1 1157 . 1 1 96 96 LEU HD23 H 1 -0.097 0.020 . 2 . . . A 442 LEU HD23 . 25188 1 1158 . 1 1 96 96 LEU C C 13 176.962 0.400 . 1 . . . A 442 LEU C . 25188 1 1159 . 1 1 96 96 LEU CA C 13 52.652 0.400 . 1 . . . A 442 LEU CA . 25188 1 1160 . 1 1 96 96 LEU CB C 13 41.981 0.400 . 1 . . . A 442 LEU CB . 25188 1 1161 . 1 1 96 96 LEU CG C 13 26.185 0.400 . 1 . . . A 442 LEU CG . 25188 1 1162 . 1 1 96 96 LEU CD1 C 13 25.102 0.400 . 1 . . . A 442 LEU CD1 . 25188 1 1163 . 1 1 96 96 LEU CD2 C 13 21.736 0.400 . 1 . . . A 442 LEU CD2 . 25188 1 1164 . 1 1 96 96 LEU N N 15 115.410 0.400 . 1 . . . A 442 LEU N . 25188 1 1165 . 1 1 97 97 GLY H H 1 7.438 0.020 . 1 . . . A 443 GLY H . 25188 1 1166 . 1 1 97 97 GLY HA2 H 1 3.814 0.020 . 2 . . . A 443 GLY HA2 . 25188 1 1167 . 1 1 97 97 GLY HA3 H 1 3.935 0.020 . 2 . . . A 443 GLY HA3 . 25188 1 1168 . 1 1 97 97 GLY C C 13 174.610 0.400 . 1 . . . A 443 GLY C . 25188 1 1169 . 1 1 97 97 GLY CA C 13 46.079 0.400 . 1 . . . A 443 GLY CA . 25188 1 1170 . 1 1 97 97 GLY N N 15 105.176 0.400 . 1 . . . A 443 GLY N . 25188 1 1171 . 1 1 98 98 GLY H H 1 8.304 0.020 . 1 . . . A 444 GLY H . 25188 1 1172 . 1 1 98 98 GLY HA2 H 1 2.779 0.020 . 1 . . . A 444 GLY HA2 . 25188 1 1173 . 1 1 98 98 GLY HA3 H 1 3.214 0.020 . 1 . . . A 444 GLY HA3 . 25188 1 1174 . 1 1 98 98 GLY CA C 13 44.137 0.400 . 1 . . . A 444 GLY CA . 25188 1 1175 . 1 1 98 98 GLY N N 15 109.055 0.400 . 1 . . . A 444 GLY N . 25188 1 1176 . 1 1 99 99 VAL H H 1 8.420 0.020 . 1 . . . A 445 VAL H . 25188 1 1177 . 1 1 99 99 VAL HA H 1 4.364 0.020 . 1 . . . A 445 VAL HA . 25188 1 1178 . 1 1 99 99 VAL HB H 1 1.846 0.020 . 1 . . . A 445 VAL HB . 25188 1 1179 . 1 1 99 99 VAL HG11 H 1 0.910 0.020 . 2 . . . A 445 VAL HG11 . 25188 1 1180 . 1 1 99 99 VAL HG12 H 1 0.910 0.020 . 2 . . . A 445 VAL HG12 . 25188 1 1181 . 1 1 99 99 VAL HG13 H 1 0.910 0.020 . 2 . . . A 445 VAL HG13 . 25188 1 1182 . 1 1 99 99 VAL HG21 H 1 0.910 0.020 . 2 . . . A 445 VAL HG21 . 25188 1 1183 . 1 1 99 99 VAL HG22 H 1 0.910 0.020 . 2 . . . A 445 VAL HG22 . 25188 1 1184 . 1 1 99 99 VAL HG23 H 1 0.910 0.020 . 2 . . . A 445 VAL HG23 . 25188 1 1185 . 1 1 99 99 VAL C C 13 176.063 0.400 . 1 . . . A 445 VAL C . 25188 1 1186 . 1 1 99 99 VAL CA C 13 62.295 0.400 . 1 . . . A 445 VAL CA . 25188 1 1187 . 1 1 99 99 VAL CB C 13 33.835 0.400 . 1 . . . A 445 VAL CB . 25188 1 1188 . 1 1 99 99 VAL CG1 C 13 21.593 0.400 . 1 . . . A 445 VAL CG1 . 25188 1 1189 . 1 1 99 99 VAL N N 15 125.230 0.400 . 1 . . . A 445 VAL N . 25188 1 1190 . 1 1 100 100 PHE H H 1 9.746 0.020 . 1 . . . A 446 PHE H . 25188 1 1191 . 1 1 100 100 PHE HA H 1 4.186 0.020 . 1 . . . A 446 PHE HA . 25188 1 1192 . 1 1 100 100 PHE HB2 H 1 2.795 0.020 . 1 . . . A 446 PHE HB2 . 25188 1 1193 . 1 1 100 100 PHE HB3 H 1 2.694 0.020 . 1 . . . A 446 PHE HB3 . 25188 1 1194 . 1 1 100 100 PHE HD1 H 1 7.372 0.020 . 1 . . . A 446 PHE HD1 . 25188 1 1195 . 1 1 100 100 PHE HD2 H 1 7.372 0.020 . 1 . . . A 446 PHE HD2 . 25188 1 1196 . 1 1 100 100 PHE HE1 H 1 7.320 0.020 . 1 . . . A 446 PHE HE1 . 25188 1 1197 . 1 1 100 100 PHE HE2 H 1 7.320 0.020 . 1 . . . A 446 PHE HE2 . 25188 1 1198 . 1 1 100 100 PHE HZ H 1 7.532 0.020 . 1 . . . A 446 PHE HZ . 25188 1 1199 . 1 1 100 100 PHE C C 13 175.552 0.400 . 1 . . . A 446 PHE C . 25188 1 1200 . 1 1 100 100 PHE CA C 13 57.493 0.400 . 1 . . . A 446 PHE CA . 25188 1 1201 . 1 1 100 100 PHE CB C 13 40.854 0.400 . 1 . . . A 446 PHE CB . 25188 1 1202 . 1 1 100 100 PHE CD1 C 13 132.406 0.400 . 1 . . . A 446 PHE CD1 . 25188 1 1203 . 1 1 100 100 PHE CE1 C 13 130.708 0.400 . 1 . . . A 446 PHE CE1 . 25188 1 1204 . 1 1 100 100 PHE CZ C 13 130.308 0.400 . 1 . . . A 446 PHE CZ . 25188 1 1205 . 1 1 100 100 PHE N N 15 128.288 0.400 . 1 . . . A 446 PHE N . 25188 1 1206 . 1 1 101 101 LYS H H 1 7.908 0.020 . 1 . . . A 447 LYS H . 25188 1 1207 . 1 1 101 101 LYS HA H 1 4.824 0.020 . 1 . . . A 447 LYS HA . 25188 1 1208 . 1 1 101 101 LYS HB2 H 1 1.549 0.020 . 1 . . . A 447 LYS HB2 . 25188 1 1209 . 1 1 101 101 LYS HB3 H 1 1.744 0.020 . 1 . . . A 447 LYS HB3 . 25188 1 1210 . 1 1 101 101 LYS HG2 H 1 1.420 0.020 . 2 . . . A 447 LYS HG2 . 25188 1 1211 . 1 1 101 101 LYS HG3 H 1 1.591 0.020 . 2 . . . A 447 LYS HG3 . 25188 1 1212 . 1 1 101 101 LYS HD2 H 1 1.683 0.020 . 2 . . . A 447 LYS HD2 . 25188 1 1213 . 1 1 101 101 LYS HD3 H 1 1.683 0.020 . 2 . . . A 447 LYS HD3 . 25188 1 1214 . 1 1 101 101 LYS HE2 H 1 2.956 0.020 . 2 . . . A 447 LYS HE2 . 25188 1 1215 . 1 1 101 101 LYS HE3 H 1 2.956 0.020 . 2 . . . A 447 LYS HE3 . 25188 1 1216 . 1 1 101 101 LYS C C 13 175.923 0.400 . 1 . . . A 447 LYS C . 25188 1 1217 . 1 1 101 101 LYS CA C 13 55.854 0.400 . 1 . . . A 447 LYS CA . 25188 1 1218 . 1 1 101 101 LYS CB C 13 32.844 0.400 . 1 . . . A 447 LYS CB . 25188 1 1219 . 1 1 101 101 LYS CG C 13 24.793 0.400 . 1 . . . A 447 LYS CG . 25188 1 1220 . 1 1 101 101 LYS CD C 13 28.801 0.400 . 1 . . . A 447 LYS CD . 25188 1 1221 . 1 1 101 101 LYS CE C 13 42.149 0.400 . 1 . . . A 447 LYS CE . 25188 1 1222 . 1 1 101 101 LYS N N 15 121.242 0.400 . 1 . . . A 447 LYS N . 25188 1 1223 . 1 1 102 102 ILE H H 1 7.946 0.020 . 1 . . . A 448 ILE H . 25188 1 1224 . 1 1 102 102 ILE HA H 1 4.969 0.020 . 1 . . . A 448 ILE HA . 25188 1 1225 . 1 1 102 102 ILE HB H 1 1.026 0.020 . 1 . . . A 448 ILE HB . 25188 1 1226 . 1 1 102 102 ILE HG12 H 1 0.878 0.020 . 1 . . . A 448 ILE HG12 . 25188 1 1227 . 1 1 102 102 ILE HG13 H 1 0.547 0.020 . 1 . . . A 448 ILE HG13 . 25188 1 1228 . 1 1 102 102 ILE HG21 H 1 0.619 0.020 . 1 . . . A 448 ILE HG21 . 25188 1 1229 . 1 1 102 102 ILE HG22 H 1 0.619 0.020 . 1 . . . A 448 ILE HG22 . 25188 1 1230 . 1 1 102 102 ILE HG23 H 1 0.619 0.020 . 1 . . . A 448 ILE HG23 . 25188 1 1231 . 1 1 102 102 ILE HD11 H 1 0.237 0.020 . 1 . . . A 448 ILE HD11 . 25188 1 1232 . 1 1 102 102 ILE HD12 H 1 0.237 0.020 . 1 . . . A 448 ILE HD12 . 25188 1 1233 . 1 1 102 102 ILE HD13 H 1 0.237 0.020 . 1 . . . A 448 ILE HD13 . 25188 1 1234 . 1 1 102 102 ILE C C 13 173.097 0.400 . 1 . . . A 448 ILE C . 25188 1 1235 . 1 1 102 102 ILE CA C 13 58.813 0.400 . 1 . . . A 448 ILE CA . 25188 1 1236 . 1 1 102 102 ILE CB C 13 41.425 0.400 . 1 . . . A 448 ILE CB . 25188 1 1237 . 1 1 102 102 ILE CG1 C 13 24.579 0.400 . 1 . . . A 448 ILE CG1 . 25188 1 1238 . 1 1 102 102 ILE CG2 C 13 18.227 0.400 . 1 . . . A 448 ILE CG2 . 25188 1 1239 . 1 1 102 102 ILE CD1 C 13 14.904 0.400 . 1 . . . A 448 ILE CD1 . 25188 1 1240 . 1 1 102 102 ILE N N 15 115.630 0.400 . 1 . . . A 448 ILE N . 25188 1 1241 . 1 1 103 103 ASP H H 1 8.754 0.020 . 1 . . . A 449 ASP H . 25188 1 1242 . 1 1 103 103 ASP HA H 1 4.996 0.020 . 1 . . . A 449 ASP HA . 25188 1 1243 . 1 1 103 103 ASP HB2 H 1 2.428 0.020 . 2 . . . A 449 ASP HB2 . 25188 1 1244 . 1 1 103 103 ASP HB3 H 1 2.625 0.020 . 2 . . . A 449 ASP HB3 . 25188 1 1245 . 1 1 103 103 ASP C C 13 176.268 0.400 . 1 . . . A 449 ASP C . 25188 1 1246 . 1 1 103 103 ASP CA C 13 51.643 0.400 . 1 . . . A 449 ASP CA . 25188 1 1247 . 1 1 103 103 ASP CB C 13 42.446 0.400 . 1 . . . A 449 ASP CB . 25188 1 1248 . 1 1 103 103 ASP N N 15 121.577 0.400 . 1 . . . A 449 ASP N . 25188 1 1249 . 1 1 104 104 TRP H H 1 8.797 0.020 . 1 . . . A 450 TRP H . 25188 1 1250 . 1 1 104 104 TRP HA H 1 3.676 0.020 . 1 . . . A 450 TRP HA . 25188 1 1251 . 1 1 104 104 TRP HB2 H 1 2.789 0.020 . 1 . . . A 450 TRP HB2 . 25188 1 1252 . 1 1 104 104 TRP HB3 H 1 2.998 0.020 . 1 . . . A 450 TRP HB3 . 25188 1 1253 . 1 1 104 104 TRP HD1 H 1 7.506 0.020 . 1 . . . A 450 TRP HD1 . 25188 1 1254 . 1 1 104 104 TRP HE1 H 1 9.232 0.020 . 1 . . . A 450 TRP HE1 . 25188 1 1255 . 1 1 104 104 TRP HE3 H 1 7.289 0.020 . 1 . . . A 450 TRP HE3 . 25188 1 1256 . 1 1 104 104 TRP HZ2 H 1 6.278 0.020 . 1 . . . A 450 TRP HZ2 . 25188 1 1257 . 1 1 104 104 TRP HZ3 H 1 6.248 0.020 . 1 . . . A 450 TRP HZ3 . 25188 1 1258 . 1 1 104 104 TRP HH2 H 1 5.135 0.020 . 1 . . . A 450 TRP HH2 . 25188 1 1259 . 1 1 104 104 TRP CA C 13 60.033 0.400 . 1 . . . A 450 TRP CA . 25188 1 1260 . 1 1 104 104 TRP CB C 13 28.325 0.400 . 1 . . . A 450 TRP CB . 25188 1 1261 . 1 1 104 104 TRP CD1 C 13 125.647 0.400 . 1 . . . A 450 TRP CD1 . 25188 1 1262 . 1 1 104 104 TRP CE3 C 13 119.848 0.400 . 1 . . . A 450 TRP CE3 . 25188 1 1263 . 1 1 104 104 TRP CZ2 C 13 113.433 0.400 . 1 . . . A 450 TRP CZ2 . 25188 1 1264 . 1 1 104 104 TRP CZ3 C 13 119.819 0.400 . 1 . . . A 450 TRP CZ3 . 25188 1 1265 . 1 1 104 104 TRP CH2 C 13 123.940 0.400 . 1 . . . A 450 TRP CH2 . 25188 1 1266 . 1 1 104 104 TRP N N 15 125.397 0.400 . 1 . . . A 450 TRP N . 25188 1 1267 . 1 1 104 104 TRP NE1 N 15 129.617 0.400 . 1 . . . A 450 TRP NE1 . 25188 1 1268 . 1 1 105 105 ILE H H 1 8.273 0.020 . 1 . . . A 451 ILE H . 25188 1 1269 . 1 1 105 105 ILE HA H 1 4.010 0.020 . 1 . . . A 451 ILE HA . 25188 1 1270 . 1 1 105 105 ILE HB H 1 1.039 0.020 . 1 . . . A 451 ILE HB . 25188 1 1271 . 1 1 105 105 ILE HG12 H 1 1.434 0.020 . 1 . . . A 451 ILE HG12 . 25188 1 1272 . 1 1 105 105 ILE HG13 H 1 1.243 0.020 . 1 . . . A 451 ILE HG13 . 25188 1 1273 . 1 1 105 105 ILE HG21 H 1 0.753 0.020 . 1 . . . A 451 ILE HG21 . 25188 1 1274 . 1 1 105 105 ILE HG22 H 1 0.753 0.020 . 1 . . . A 451 ILE HG22 . 25188 1 1275 . 1 1 105 105 ILE HG23 H 1 0.753 0.020 . 1 . . . A 451 ILE HG23 . 25188 1 1276 . 1 1 105 105 ILE HD11 H 1 0.724 0.020 . 1 . . . A 451 ILE HD11 . 25188 1 1277 . 1 1 105 105 ILE HD12 H 1 0.724 0.020 . 1 . . . A 451 ILE HD12 . 25188 1 1278 . 1 1 105 105 ILE HD13 H 1 0.724 0.020 . 1 . . . A 451 ILE HD13 . 25188 1 1279 . 1 1 105 105 ILE C C 13 175.318 0.400 . 1 . . . A 451 ILE C . 25188 1 1280 . 1 1 105 105 ILE CA C 13 60.491 0.400 . 1 . . . A 451 ILE CA . 25188 1 1281 . 1 1 105 105 ILE CB C 13 37.701 0.400 . 1 . . . A 451 ILE CB . 25188 1 1282 . 1 1 105 105 ILE CG1 C 13 27.257 0.400 . 1 . . . A 451 ILE CG1 . 25188 1 1283 . 1 1 105 105 ILE CG2 C 13 18.836 0.400 . 1 . . . A 451 ILE CG2 . 25188 1 1284 . 1 1 105 105 ILE CD1 C 13 12.084 0.400 . 1 . . . A 451 ILE CD1 . 25188 1 1285 . 1 1 105 105 ILE N N 15 124.531 0.400 . 1 . . . A 451 ILE N . 25188 1 1286 . 1 1 106 106 CYS H H 1 7.285 0.020 . 1 . . . A 452 CYS H . 25188 1 1287 . 1 1 106 106 CYS HA H 1 4.628 0.020 . 1 . . . A 452 CYS HA . 25188 1 1288 . 1 1 106 106 CYS HB2 H 1 1.576 0.020 . 2 . . . A 452 CYS HB2 . 25188 1 1289 . 1 1 106 106 CYS HB3 H 1 2.293 0.020 . 2 . . . A 452 CYS HB3 . 25188 1 1290 . 1 1 106 106 CYS C C 13 174.202 0.400 . 1 . . . A 452 CYS C . 25188 1 1291 . 1 1 106 106 CYS CA C 13 57.840 0.400 . 1 . . . A 452 CYS CA . 25188 1 1292 . 1 1 106 106 CYS CB C 13 29.961 0.400 . 1 . . . A 452 CYS CB . 25188 1 1293 . 1 1 106 106 CYS N N 15 117.664 0.400 . 1 . . . A 452 CYS N . 25188 1 1294 . 1 1 107 107 ARG H H 1 10.215 0.020 . 1 . . . A 453 ARG H . 25188 1 1295 . 1 1 107 107 ARG HA H 1 4.416 0.020 . 1 . . . A 453 ARG HA . 25188 1 1296 . 1 1 107 107 ARG HB2 H 1 1.533 0.020 . 1 . . . A 453 ARG HB2 . 25188 1 1297 . 1 1 107 107 ARG HB3 H 1 1.776 0.020 . 1 . . . A 453 ARG HB3 . 25188 1 1298 . 1 1 107 107 ARG HG2 H 1 0.681 0.020 . 1 . . . A 453 ARG HG2 . 25188 1 1299 . 1 1 107 107 ARG HG3 H 1 1.469 0.020 . 1 . . . A 453 ARG HG3 . 25188 1 1300 . 1 1 107 107 ARG HD2 H 1 2.689 0.020 . 2 . . . A 453 ARG HD2 . 25188 1 1301 . 1 1 107 107 ARG HD3 H 1 2.816 0.020 . 2 . . . A 453 ARG HD3 . 25188 1 1302 . 1 1 107 107 ARG C C 13 174.678 0.400 . 1 . . . A 453 ARG C . 25188 1 1303 . 1 1 107 107 ARG CA C 13 55.640 0.400 . 1 . . . A 453 ARG CA . 25188 1 1304 . 1 1 107 107 ARG CB C 13 30.220 0.400 . 1 . . . A 453 ARG CB . 25188 1 1305 . 1 1 107 107 ARG CG C 13 28.404 0.400 . 1 . . . A 453 ARG CG . 25188 1 1306 . 1 1 107 107 ARG CD C 13 43.059 0.400 . 1 . . . A 453 ARG CD . 25188 1 1307 . 1 1 107 107 ARG N N 15 128.982 0.400 . 1 . . . A 453 ARG N . 25188 1 1308 . 1 1 108 108 ARG H H 1 7.945 0.020 . 1 . . . A 454 ARG H . 25188 1 1309 . 1 1 108 108 ARG HA H 1 4.356 0.020 . 1 . . . A 454 ARG HA . 25188 1 1310 . 1 1 108 108 ARG HB2 H 1 1.802 0.020 . 2 . . . A 454 ARG HB2 . 25188 1 1311 . 1 1 108 108 ARG HB3 H 1 1.991 0.020 . 2 . . . A 454 ARG HB3 . 25188 1 1312 . 1 1 108 108 ARG HG2 H 1 1.743 0.020 . 2 . . . A 454 ARG HG2 . 25188 1 1313 . 1 1 108 108 ARG HG3 H 1 1.743 0.020 . 2 . . . A 454 ARG HG3 . 25188 1 1314 . 1 1 108 108 ARG HD2 H 1 3.202 0.020 . 2 . . . A 454 ARG HD2 . 25188 1 1315 . 1 1 108 108 ARG HD3 H 1 3.202 0.020 . 2 . . . A 454 ARG HD3 . 25188 1 1316 . 1 1 108 108 ARG C C 13 173.386 0.400 . 1 . . . A 454 ARG C . 25188 1 1317 . 1 1 108 108 ARG CA C 13 54.518 0.400 . 1 . . . A 454 ARG CA . 25188 1 1318 . 1 1 108 108 ARG CB C 13 31.606 0.400 . 1 . . . A 454 ARG CB . 25188 1 1319 . 1 1 108 108 ARG CG C 13 26.722 0.400 . 1 . . . A 454 ARG CG . 25188 1 1320 . 1 1 108 108 ARG CD C 13 42.436 0.400 . 1 . . . A 454 ARG CD . 25188 1 1321 . 1 1 108 108 ARG N N 15 120.916 0.400 . 1 . . . A 454 ARG N . 25188 1 1322 . 1 1 109 109 GLU H H 1 7.671 0.020 . 1 . . . A 455 GLU H . 25188 1 1323 . 1 1 109 109 GLU HA H 1 4.868 0.020 . 1 . . . A 455 GLU HA . 25188 1 1324 . 1 1 109 109 GLU HB2 H 1 1.977 0.020 . 1 . . . A 455 GLU HB2 . 25188 1 1325 . 1 1 109 109 GLU HB3 H 1 1.900 0.020 . 1 . . . A 455 GLU HB3 . 25188 1 1326 . 1 1 109 109 GLU HG2 H 1 2.385 0.020 . 1 . . . A 455 GLU HG2 . 25188 1 1327 . 1 1 109 109 GLU HG3 H 1 2.242 0.020 . 1 . . . A 455 GLU HG3 . 25188 1 1328 . 1 1 109 109 GLU C C 13 176.634 0.400 . 1 . . . A 455 GLU C . 25188 1 1329 . 1 1 109 109 GLU CA C 13 54.720 0.400 . 1 . . . A 455 GLU CA . 25188 1 1330 . 1 1 109 109 GLU CB C 13 32.356 0.400 . 1 . . . A 455 GLU CB . 25188 1 1331 . 1 1 109 109 GLU CG C 13 36.988 0.400 . 1 . . . A 455 GLU CG . 25188 1 1332 . 1 1 109 109 GLU N N 15 112.822 0.400 . 1 . . . A 455 GLU N . 25188 1 1333 . 1 1 110 110 LEU H H 1 8.453 0.020 . 1 . . . A 456 LEU H . 25188 1 1334 . 1 1 110 110 LEU HA H 1 4.853 0.020 . 1 . . . A 456 LEU HA . 25188 1 1335 . 1 1 110 110 LEU HB2 H 1 0.268 0.020 . 1 . . . A 456 LEU HB2 . 25188 1 1336 . 1 1 110 110 LEU HB3 H 1 1.320 0.020 . 1 . . . A 456 LEU HB3 . 25188 1 1337 . 1 1 110 110 LEU HG H 1 1.316 0.020 . 1 . . . A 456 LEU HG . 25188 1 1338 . 1 1 110 110 LEU HD11 H 1 0.139 0.020 . 2 . . . A 456 LEU HD11 . 25188 1 1339 . 1 1 110 110 LEU HD12 H 1 0.139 0.020 . 2 . . . A 456 LEU HD12 . 25188 1 1340 . 1 1 110 110 LEU HD13 H 1 0.139 0.020 . 2 . . . A 456 LEU HD13 . 25188 1 1341 . 1 1 110 110 LEU HD21 H 1 0.663 0.020 . 2 . . . A 456 LEU HD21 . 25188 1 1342 . 1 1 110 110 LEU HD22 H 1 0.663 0.020 . 2 . . . A 456 LEU HD22 . 25188 1 1343 . 1 1 110 110 LEU HD23 H 1 0.663 0.020 . 2 . . . A 456 LEU HD23 . 25188 1 1344 . 1 1 110 110 LEU CA C 13 51.287 0.400 . 1 . . . A 456 LEU CA . 25188 1 1345 . 1 1 110 110 LEU CB C 13 46.628 0.400 . 1 . . . A 456 LEU CB . 25188 1 1346 . 1 1 110 110 LEU CG C 13 25.701 0.400 . 1 . . . A 456 LEU CG . 25188 1 1347 . 1 1 110 110 LEU CD1 C 13 26.788 0.400 . 1 . . . A 456 LEU CD1 . 25188 1 1348 . 1 1 110 110 LEU CD2 C 13 25.107 0.400 . 1 . . . A 456 LEU CD2 . 25188 1 1349 . 1 1 110 110 LEU N N 15 119.458 0.400 . 1 . . . A 456 LEU N . 25188 1 1350 . 1 1 111 111 PRO HA H 1 4.530 0.020 . 1 . . . A 457 PRO HA . 25188 1 1351 . 1 1 111 111 PRO HB2 H 1 2.161 0.020 . 1 . . . A 457 PRO HB2 . 25188 1 1352 . 1 1 111 111 PRO HB3 H 1 2.387 0.020 . 1 . . . A 457 PRO HB3 . 25188 1 1353 . 1 1 111 111 PRO HG2 H 1 2.119 0.020 . 1 . . . A 457 PRO HG2 . 25188 1 1354 . 1 1 111 111 PRO HG3 H 1 2.010 0.020 . 1 . . . A 457 PRO HG3 . 25188 1 1355 . 1 1 111 111 PRO HD2 H 1 3.687 0.020 . 1 . . . A 457 PRO HD2 . 25188 1 1356 . 1 1 111 111 PRO HD3 H 1 3.811 0.020 . 1 . . . A 457 PRO HD3 . 25188 1 1357 . 1 1 111 111 PRO CA C 13 62.479 0.400 . 1 . . . A 457 PRO CA . 25188 1 1358 . 1 1 111 111 PRO CB C 13 32.473 0.400 . 1 . . . A 457 PRO CB . 25188 1 1359 . 1 1 111 111 PRO CG C 13 27.636 0.400 . 1 . . . A 457 PRO CG . 25188 1 1360 . 1 1 111 111 PRO CD C 13 51.168 0.400 . 1 . . . A 457 PRO CD . 25188 1 1361 . 1 1 112 112 PHE H H 1 8.320 0.020 . 1 . . . A 458 PHE H . 25188 1 1362 . 1 1 112 112 PHE HB2 H 1 3.005 0.020 . 2 . . . A 458 PHE HB2 . 25188 1 1363 . 1 1 112 112 PHE HB3 H 1 3.140 0.020 . 2 . . . A 458 PHE HB3 . 25188 1 1364 . 1 1 112 112 PHE CA C 13 55.691 0.400 . 1 . . . A 458 PHE CA . 25188 1 1365 . 1 1 112 112 PHE CB C 13 36.917 0.400 . 1 . . . A 458 PHE CB . 25188 1 1366 . 1 1 112 112 PHE N N 15 120.576 0.400 . 1 . . . A 458 PHE N . 25188 1 1367 . 1 1 113 113 THR HA H 1 4.079 0.020 . 1 . . . A 459 THR HA . 25188 1 1368 . 1 1 113 113 THR HB H 1 4.259 0.020 . 1 . . . A 459 THR HB . 25188 1 1369 . 1 1 113 113 THR HG21 H 1 1.338 0.020 . 1 . . . A 459 THR HG21 . 25188 1 1370 . 1 1 113 113 THR HG22 H 1 1.338 0.020 . 1 . . . A 459 THR HG22 . 25188 1 1371 . 1 1 113 113 THR HG23 H 1 1.338 0.020 . 1 . . . A 459 THR HG23 . 25188 1 1372 . 1 1 113 113 THR C C 13 177.026 0.400 . 1 . . . A 459 THR C . 25188 1 1373 . 1 1 113 113 THR CA C 13 64.501 0.400 . 1 . . . A 459 THR CA . 25188 1 1374 . 1 1 113 113 THR CB C 13 67.918 0.400 . 1 . . . A 459 THR CB . 25188 1 1375 . 1 1 113 113 THR CG2 C 13 22.515 0.400 . 1 . . . A 459 THR CG2 . 25188 1 1376 . 1 1 114 114 LYS H H 1 7.579 0.020 . 1 . . . A 460 LYS H . 25188 1 1377 . 1 1 114 114 LYS HA H 1 4.454 0.020 . 1 . . . A 460 LYS HA . 25188 1 1378 . 1 1 114 114 LYS HB2 H 1 1.938 0.020 . 2 . . . A 460 LYS HB2 . 25188 1 1379 . 1 1 114 114 LYS HB3 H 1 1.938 0.020 . 2 . . . A 460 LYS HB3 . 25188 1 1380 . 1 1 114 114 LYS HG2 H 1 1.486 0.020 . 2 . . . A 460 LYS HG2 . 25188 1 1381 . 1 1 114 114 LYS HG3 H 1 1.604 0.020 . 2 . . . A 460 LYS HG3 . 25188 1 1382 . 1 1 114 114 LYS HD2 H 1 1.673 0.020 . 2 . . . A 460 LYS HD2 . 25188 1 1383 . 1 1 114 114 LYS HD3 H 1 1.741 0.020 . 2 . . . A 460 LYS HD3 . 25188 1 1384 . 1 1 114 114 LYS HE2 H 1 3.001 0.020 . 2 . . . A 460 LYS HE2 . 25188 1 1385 . 1 1 114 114 LYS HE3 H 1 3.001 0.020 . 2 . . . A 460 LYS HE3 . 25188 1 1386 . 1 1 114 114 LYS C C 13 176.118 0.400 . 1 . . . A 460 LYS C . 25188 1 1387 . 1 1 114 114 LYS CA C 13 56.535 0.400 . 1 . . . A 460 LYS CA . 25188 1 1388 . 1 1 114 114 LYS CB C 13 32.646 0.400 . 1 . . . A 460 LYS CB . 25188 1 1389 . 1 1 114 114 LYS CG C 13 25.492 0.400 . 1 . . . A 460 LYS CG . 25188 1 1390 . 1 1 114 114 LYS CD C 13 28.408 0.400 . 1 . . . A 460 LYS CD . 25188 1 1391 . 1 1 114 114 LYS CE C 13 42.068 0.400 . 1 . . . A 460 LYS CE . 25188 1 1392 . 1 1 114 114 LYS N N 15 118.182 0.400 . 1 . . . A 460 LYS N . 25188 1 1393 . 1 1 115 115 SER H H 1 7.909 0.020 . 1 . . . A 461 SER H . 25188 1 1394 . 1 1 115 115 SER HA H 1 4.188 0.020 . 1 . . . A 461 SER HA . 25188 1 1395 . 1 1 115 115 SER HB2 H 1 3.200 0.020 . 1 . . . A 461 SER HB2 . 25188 1 1396 . 1 1 115 115 SER HB3 H 1 4.086 0.020 . 1 . . . A 461 SER HB3 . 25188 1 1397 . 1 1 115 115 SER C C 13 175.657 0.400 . 1 . . . A 461 SER C . 25188 1 1398 . 1 1 115 115 SER CA C 13 57.480 0.400 . 1 . . . A 461 SER CA . 25188 1 1399 . 1 1 115 115 SER CB C 13 65.325 0.400 . 1 . . . A 461 SER CB . 25188 1 1400 . 1 1 115 115 SER N N 15 110.236 0.400 . 1 . . . A 461 SER N . 25188 1 1401 . 1 1 116 116 ALA H H 1 7.239 0.020 . 1 . . . A 462 ALA H . 25188 1 1402 . 1 1 116 116 ALA HA H 1 4.195 0.020 . 1 . . . A 462 ALA HA . 25188 1 1403 . 1 1 116 116 ALA HB1 H 1 1.520 0.020 . 1 . . . A 462 ALA HB1 . 25188 1 1404 . 1 1 116 116 ALA HB2 H 1 1.520 0.020 . 1 . . . A 462 ALA HB2 . 25188 1 1405 . 1 1 116 116 ALA HB3 H 1 1.520 0.020 . 1 . . . A 462 ALA HB3 . 25188 1 1406 . 1 1 116 116 ALA C C 13 176.529 0.400 . 1 . . . A 462 ALA C . 25188 1 1407 . 1 1 116 116 ALA CA C 13 55.042 0.400 . 1 . . . A 462 ALA CA . 25188 1 1408 . 1 1 116 116 ALA CB C 13 19.050 0.400 . 1 . . . A 462 ALA CB . 25188 1 1409 . 1 1 116 116 ALA N N 15 125.683 0.400 . 1 . . . A 462 ALA N . 25188 1 1410 . 1 1 117 117 HIS H H 1 8.861 0.020 . 1 . . . A 463 HIS H . 25188 1 1411 . 1 1 117 117 HIS HA H 1 4.528 0.020 . 1 . . . A 463 HIS HA . 25188 1 1412 . 1 1 117 117 HIS HB2 H 1 3.194 0.020 . 1 . . . A 463 HIS HB2 . 25188 1 1413 . 1 1 117 117 HIS HB3 H 1 2.848 0.020 . 1 . . . A 463 HIS HB3 . 25188 1 1414 . 1 1 117 117 HIS HD2 H 1 6.889 0.020 . 1 . . . A 463 HIS HD2 . 25188 1 1415 . 1 1 117 117 HIS HE1 H 1 7.915 0.020 . 1 . . . A 463 HIS HE1 . 25188 1 1416 . 1 1 117 117 HIS C C 13 175.092 0.400 . 1 . . . A 463 HIS C . 25188 1 1417 . 1 1 117 117 HIS CA C 13 56.056 0.400 . 1 . . . A 463 HIS CA . 25188 1 1418 . 1 1 117 117 HIS CB C 13 29.834 0.400 . 1 . . . A 463 HIS CB . 25188 1 1419 . 1 1 117 117 HIS CD2 C 13 117.878 0.400 . 1 . . . A 463 HIS CD2 . 25188 1 1420 . 1 1 117 117 HIS CE1 C 13 138.684 0.400 . 1 . . . A 463 HIS CE1 . 25188 1 1421 . 1 1 117 117 HIS N N 15 113.243 0.400 . 1 . . . A 463 HIS N . 25188 1 1422 . 1 1 118 118 LEU H H 1 7.357 0.020 . 1 . . . A 464 LEU H . 25188 1 1423 . 1 1 118 118 LEU HA H 1 4.412 0.020 . 1 . . . A 464 LEU HA . 25188 1 1424 . 1 1 118 118 LEU HB2 H 1 1.579 0.020 . 1 . . . A 464 LEU HB2 . 25188 1 1425 . 1 1 118 118 LEU HB3 H 1 0.998 0.020 . 1 . . . A 464 LEU HB3 . 25188 1 1426 . 1 1 118 118 LEU HG H 1 0.200 0.020 . 1 . . . A 464 LEU HG . 25188 1 1427 . 1 1 118 118 LEU HD11 H 1 0.520 0.020 . 2 . . . A 464 LEU HD11 . 25188 1 1428 . 1 1 118 118 LEU HD12 H 1 0.520 0.020 . 2 . . . A 464 LEU HD12 . 25188 1 1429 . 1 1 118 118 LEU HD13 H 1 0.520 0.020 . 2 . . . A 464 LEU HD13 . 25188 1 1430 . 1 1 118 118 LEU HD21 H 1 0.565 0.020 . 2 . . . A 464 LEU HD21 . 25188 1 1431 . 1 1 118 118 LEU HD22 H 1 0.565 0.020 . 2 . . . A 464 LEU HD22 . 25188 1 1432 . 1 1 118 118 LEU HD23 H 1 0.565 0.020 . 2 . . . A 464 LEU HD23 . 25188 1 1433 . 1 1 118 118 LEU C C 13 175.610 0.400 . 1 . . . A 464 LEU C . 25188 1 1434 . 1 1 118 118 LEU CA C 13 53.847 0.400 . 1 . . . A 464 LEU CA . 25188 1 1435 . 1 1 118 118 LEU CB C 13 42.179 0.400 . 1 . . . A 464 LEU CB . 25188 1 1436 . 1 1 118 118 LEU CG C 13 25.713 0.400 . 1 . . . A 464 LEU CG . 25188 1 1437 . 1 1 118 118 LEU CD1 C 13 26.141 0.400 . 1 . . . A 464 LEU CD1 . 25188 1 1438 . 1 1 118 118 LEU CD2 C 13 23.210 0.400 . 1 . . . A 464 LEU CD2 . 25188 1 1439 . 1 1 118 118 LEU N N 15 122.985 0.400 . 1 . . . A 464 LEU N . 25188 1 1440 . 1 1 119 119 THR H H 1 8.111 0.020 . 1 . . . A 465 THR H . 25188 1 1441 . 1 1 119 119 THR HA H 1 4.320 0.020 . 1 . . . A 465 THR HA . 25188 1 1442 . 1 1 119 119 THR HB H 1 3.607 0.020 . 1 . . . A 465 THR HB . 25188 1 1443 . 1 1 119 119 THR HG21 H 1 0.890 0.020 . 1 . . . A 465 THR HG21 . 25188 1 1444 . 1 1 119 119 THR HG22 H 1 0.890 0.020 . 1 . . . A 465 THR HG22 . 25188 1 1445 . 1 1 119 119 THR HG23 H 1 0.890 0.020 . 1 . . . A 465 THR HG23 . 25188 1 1446 . 1 1 119 119 THR C C 13 172.534 0.400 . 1 . . . A 465 THR C . 25188 1 1447 . 1 1 119 119 THR CA C 13 58.703 0.400 . 1 . . . A 465 THR CA . 25188 1 1448 . 1 1 119 119 THR CB C 13 70.248 0.400 . 1 . . . A 465 THR CB . 25188 1 1449 . 1 1 119 119 THR CG2 C 13 21.677 0.400 . 1 . . . A 465 THR CG2 . 25188 1 1450 . 1 1 119 119 THR N N 15 114.363 0.400 . 1 . . . A 465 THR N . 25188 1 1451 . 1 1 120 120 ASN H H 1 8.156 0.020 . 1 . . . A 466 ASN H . 25188 1 1452 . 1 1 120 120 ASN HA H 1 5.118 0.020 . 1 . . . A 466 ASN HA . 25188 1 1453 . 1 1 120 120 ASN HB2 H 1 2.377 0.020 . 2 . . . A 466 ASN HB2 . 25188 1 1454 . 1 1 120 120 ASN HB3 H 1 3.353 0.020 . 2 . . . A 466 ASN HB3 . 25188 1 1455 . 1 1 120 120 ASN CA C 13 48.289 0.400 . 1 . . . A 466 ASN CA . 25188 1 1456 . 1 1 120 120 ASN CB C 13 40.163 0.400 . 1 . . . A 466 ASN CB . 25188 1 1457 . 1 1 120 120 ASN N N 15 116.730 0.400 . 1 . . . A 466 ASN N . 25188 1 1458 . 1 1 121 121 PRO HA H 1 3.151 0.020 . 1 . . . A 467 PRO HA . 25188 1 1459 . 1 1 121 121 PRO HB2 H 1 1.713 0.020 . 1 . . . A 467 PRO HB2 . 25188 1 1460 . 1 1 121 121 PRO HB3 H 1 2.255 0.020 . 1 . . . A 467 PRO HB3 . 25188 1 1461 . 1 1 121 121 PRO HG2 H 1 1.637 0.020 . 1 . . . A 467 PRO HG2 . 25188 1 1462 . 1 1 121 121 PRO HG3 H 1 1.898 0.020 . 1 . . . A 467 PRO HG3 . 25188 1 1463 . 1 1 121 121 PRO HD2 H 1 4.296 0.020 . 1 . . . A 467 PRO HD2 . 25188 1 1464 . 1 1 121 121 PRO HD3 H 1 3.685 0.020 . 1 . . . A 467 PRO HD3 . 25188 1 1465 . 1 1 121 121 PRO C C 13 175.904 0.400 . 1 . . . A 467 PRO C . 25188 1 1466 . 1 1 121 121 PRO CA C 13 63.989 0.400 . 1 . . . A 467 PRO CA . 25188 1 1467 . 1 1 121 121 PRO CB C 13 32.526 0.400 . 1 . . . A 467 PRO CB . 25188 1 1468 . 1 1 121 121 PRO CG C 13 27.129 0.400 . 1 . . . A 467 PRO CG . 25188 1 1469 . 1 1 121 121 PRO CD C 13 51.507 0.400 . 1 . . . A 467 PRO CD . 25188 1 1470 . 1 1 122 122 TRP H H 1 7.018 0.020 . 1 . . . A 468 TRP H . 25188 1 1471 . 1 1 122 122 TRP HA H 1 5.066 0.020 . 1 . . . A 468 TRP HA . 25188 1 1472 . 1 1 122 122 TRP HB2 H 1 2.979 0.020 . 1 . . . A 468 TRP HB2 . 25188 1 1473 . 1 1 122 122 TRP HB3 H 1 3.417 0.020 . 1 . . . A 468 TRP HB3 . 25188 1 1474 . 1 1 122 122 TRP HD1 H 1 6.760 0.020 . 1 . . . A 468 TRP HD1 . 25188 1 1475 . 1 1 122 122 TRP HE1 H 1 10.361 0.020 . 1 . . . A 468 TRP HE1 . 25188 1 1476 . 1 1 122 122 TRP HE3 H 1 7.009 0.020 . 1 . . . A 468 TRP HE3 . 25188 1 1477 . 1 1 122 122 TRP HZ2 H 1 7.677 0.020 . 1 . . . A 468 TRP HZ2 . 25188 1 1478 . 1 1 122 122 TRP HZ3 H 1 7.093 0.020 . 1 . . . A 468 TRP HZ3 . 25188 1 1479 . 1 1 122 122 TRP HH2 H 1 7.338 0.020 . 1 . . . A 468 TRP HH2 . 25188 1 1480 . 1 1 122 122 TRP C C 13 174.991 0.400 . 1 . . . A 468 TRP C . 25188 1 1481 . 1 1 122 122 TRP CA C 13 54.548 0.400 . 1 . . . A 468 TRP CA . 25188 1 1482 . 1 1 122 122 TRP CB C 13 27.724 0.400 . 1 . . . A 468 TRP CB . 25188 1 1483 . 1 1 122 122 TRP CD1 C 13 123.314 0.400 . 1 . . . A 468 TRP CD1 . 25188 1 1484 . 1 1 122 122 TRP CE3 C 13 119.583 0.400 . 1 . . . A 468 TRP CE3 . 25188 1 1485 . 1 1 122 122 TRP CZ2 C 13 114.731 0.400 . 1 . . . A 468 TRP CZ2 . 25188 1 1486 . 1 1 122 122 TRP CZ3 C 13 121.725 0.400 . 1 . . . A 468 TRP CZ3 . 25188 1 1487 . 1 1 122 122 TRP CH2 C 13 124.442 0.400 . 1 . . . A 468 TRP CH2 . 25188 1 1488 . 1 1 122 122 TRP N N 15 114.797 0.400 . 1 . . . A 468 TRP N . 25188 1 1489 . 1 1 122 122 TRP NE1 N 15 129.415 0.400 . 1 . . . A 468 TRP NE1 . 25188 1 1490 . 1 1 123 123 ASN H H 1 7.746 0.020 . 1 . . . A 469 ASN H . 25188 1 1491 . 1 1 123 123 ASN HA H 1 5.193 0.020 . 1 . . . A 469 ASN HA . 25188 1 1492 . 1 1 123 123 ASN HB2 H 1 2.157 0.020 . 2 . . . A 469 ASN HB2 . 25188 1 1493 . 1 1 123 123 ASN HB3 H 1 3.187 0.020 . 2 . . . A 469 ASN HB3 . 25188 1 1494 . 1 1 123 123 ASN C C 13 174.466 0.400 . 1 . . . A 469 ASN C . 25188 1 1495 . 1 1 123 123 ASN CA C 13 51.313 0.400 . 1 . . . A 469 ASN CA . 25188 1 1496 . 1 1 123 123 ASN CB C 13 37.523 0.400 . 1 . . . A 469 ASN CB . 25188 1 1497 . 1 1 123 123 ASN N N 15 119.414 0.400 . 1 . . . A 469 ASN N . 25188 1 1498 . 1 1 124 124 GLU H H 1 8.640 0.020 . 1 . . . A 470 GLU H . 25188 1 1499 . 1 1 124 124 GLU HA H 1 3.829 0.020 . 1 . . . A 470 GLU HA . 25188 1 1500 . 1 1 124 124 GLU HB2 H 1 1.971 0.020 . 2 . . . A 470 GLU HB2 . 25188 1 1501 . 1 1 124 124 GLU HB3 H 1 2.256 0.020 . 2 . . . A 470 GLU HB3 . 25188 1 1502 . 1 1 124 124 GLU HG2 H 1 2.145 0.020 . 2 . . . A 470 GLU HG2 . 25188 1 1503 . 1 1 124 124 GLU HG3 H 1 2.145 0.020 . 2 . . . A 470 GLU HG3 . 25188 1 1504 . 1 1 124 124 GLU C C 13 174.775 0.400 . 1 . . . A 470 GLU C . 25188 1 1505 . 1 1 124 124 GLU CA C 13 57.245 0.400 . 1 . . . A 470 GLU CA . 25188 1 1506 . 1 1 124 124 GLU CB C 13 27.522 0.400 . 1 . . . A 470 GLU CB . 25188 1 1507 . 1 1 124 124 GLU CG C 13 36.938 0.400 . 1 . . . A 470 GLU CG . 25188 1 1508 . 1 1 124 124 GLU N N 15 113.846 0.400 . 1 . . . A 470 GLU N . 25188 1 1509 . 1 1 125 125 HIS H H 1 7.338 0.020 . 1 . . . A 471 HIS H . 25188 1 1510 . 1 1 125 125 HIS HA H 1 3.229 0.020 . 1 . . . A 471 HIS HA . 25188 1 1511 . 1 1 125 125 HIS HB2 H 1 3.232 0.020 . 2 . . . A 471 HIS HB2 . 25188 1 1512 . 1 1 125 125 HIS HB3 H 1 3.232 0.020 . 2 . . . A 471 HIS HB3 . 25188 1 1513 . 1 1 125 125 HIS HD2 H 1 6.900 0.020 . 1 . . . A 471 HIS HD2 . 25188 1 1514 . 1 1 125 125 HIS HE1 H 1 7.772 0.020 . 1 . . . A 471 HIS HE1 . 25188 1 1515 . 1 1 125 125 HIS C C 13 174.348 0.400 . 1 . . . A 471 HIS C . 25188 1 1516 . 1 1 125 125 HIS CA C 13 58.844 0.400 . 1 . . . A 471 HIS CA . 25188 1 1517 . 1 1 125 125 HIS CB C 13 27.130 0.400 . 1 . . . A 471 HIS CB . 25188 1 1518 . 1 1 125 125 HIS CD2 C 13 118.426 0.400 . 1 . . . A 471 HIS CD2 . 25188 1 1519 . 1 1 125 125 HIS CE1 C 13 137.994 0.400 . 1 . . . A 471 HIS CE1 . 25188 1 1520 . 1 1 125 125 HIS N N 15 108.193 0.400 . 1 . . . A 471 HIS N . 25188 1 1521 . 1 1 126 126 LYS H H 1 7.445 0.020 . 1 . . . A 472 LYS H . 25188 1 1522 . 1 1 126 126 LYS HA H 1 4.452 0.020 . 1 . . . A 472 LYS HA . 25188 1 1523 . 1 1 126 126 LYS HB2 H 1 1.669 0.020 . 2 . . . A 472 LYS HB2 . 25188 1 1524 . 1 1 126 126 LYS HB3 H 1 2.019 0.020 . 2 . . . A 472 LYS HB3 . 25188 1 1525 . 1 1 126 126 LYS HD2 H 1 1.563 0.020 . 2 . . . A 472 LYS HD2 . 25188 1 1526 . 1 1 126 126 LYS HD3 H 1 1.597 0.020 . 2 . . . A 472 LYS HD3 . 25188 1 1527 . 1 1 126 126 LYS HE2 H 1 2.874 0.020 . 2 . . . A 472 LYS HE2 . 25188 1 1528 . 1 1 126 126 LYS HE3 H 1 2.874 0.020 . 2 . . . A 472 LYS HE3 . 25188 1 1529 . 1 1 126 126 LYS CA C 13 55.697 0.400 . 1 . . . A 472 LYS CA . 25188 1 1530 . 1 1 126 126 LYS CB C 13 31.936 0.400 . 1 . . . A 472 LYS CB . 25188 1 1531 . 1 1 126 126 LYS CD C 13 29.791 0.400 . 1 . . . A 472 LYS CD . 25188 1 1532 . 1 1 126 126 LYS N N 15 118.919 0.400 . 1 . . . A 472 LYS N . 25188 1 1533 . 1 1 127 127 PRO HA H 1 4.478 0.020 . 1 . . . A 473 PRO HA . 25188 1 1534 . 1 1 127 127 PRO HB2 H 1 1.636 0.020 . 2 . . . A 473 PRO HB2 . 25188 1 1535 . 1 1 127 127 PRO HB3 H 1 2.365 0.020 . 2 . . . A 473 PRO HB3 . 25188 1 1536 . 1 1 127 127 PRO HD2 H 1 3.567 0.020 . 2 . . . A 473 PRO HD2 . 25188 1 1537 . 1 1 127 127 PRO HD3 H 1 3.927 0.020 . 2 . . . A 473 PRO HD3 . 25188 1 1538 . 1 1 127 127 PRO CA C 13 63.510 0.400 . 1 . . . A 473 PRO CA . 25188 1 1539 . 1 1 127 127 PRO CB C 13 32.465 0.400 . 1 . . . A 473 PRO CB . 25188 1 1540 . 1 1 127 127 PRO CD C 13 50.285 0.400 . 1 . . . A 473 PRO CD . 25188 1 1541 . 1 1 128 128 VAL H H 1 8.191 0.020 . 1 . . . A 474 VAL H . 25188 1 1542 . 1 1 128 128 VAL HA H 1 3.903 0.020 . 1 . . . A 474 VAL HA . 25188 1 1543 . 1 1 128 128 VAL HB H 1 1.489 0.020 . 1 . . . A 474 VAL HB . 25188 1 1544 . 1 1 128 128 VAL HG11 H 1 0.795 0.020 . 2 . . . A 474 VAL HG11 . 25188 1 1545 . 1 1 128 128 VAL HG12 H 1 0.795 0.020 . 2 . . . A 474 VAL HG12 . 25188 1 1546 . 1 1 128 128 VAL HG13 H 1 0.795 0.020 . 2 . . . A 474 VAL HG13 . 25188 1 1547 . 1 1 128 128 VAL HG21 H 1 0.841 0.020 . 2 . . . A 474 VAL HG21 . 25188 1 1548 . 1 1 128 128 VAL HG22 H 1 0.841 0.020 . 2 . . . A 474 VAL HG22 . 25188 1 1549 . 1 1 128 128 VAL HG23 H 1 0.841 0.020 . 2 . . . A 474 VAL HG23 . 25188 1 1550 . 1 1 128 128 VAL C C 13 172.270 0.400 . 1 . . . A 474 VAL C . 25188 1 1551 . 1 1 128 128 VAL CA C 13 63.669 0.400 . 1 . . . A 474 VAL CA . 25188 1 1552 . 1 1 128 128 VAL CB C 13 32.444 0.400 . 1 . . . A 474 VAL CB . 25188 1 1553 . 1 1 128 128 VAL CG1 C 13 20.705 0.400 . 1 . . . A 474 VAL CG1 . 25188 1 1554 . 1 1 128 128 VAL CG2 C 13 23.310 0.400 . 1 . . . A 474 VAL CG2 . 25188 1 1555 . 1 1 128 128 VAL N N 15 123.919 0.400 . 1 . . . A 474 VAL N . 25188 1 1556 . 1 1 129 129 LYS H H 1 7.177 0.020 . 1 . . . A 475 LYS H . 25188 1 1557 . 1 1 129 129 LYS HA H 1 3.473 0.020 . 1 . . . A 475 LYS HA . 25188 1 1558 . 1 1 129 129 LYS HB2 H 1 -0.349 0.020 . 1 . . . A 475 LYS HB2 . 25188 1 1559 . 1 1 129 129 LYS HB3 H 1 0.511 0.020 . 1 . . . A 475 LYS HB3 . 25188 1 1560 . 1 1 129 129 LYS HG2 H 1 0.540 0.020 . 2 . . . A 475 LYS HG2 . 25188 1 1561 . 1 1 129 129 LYS HG3 H 1 0.841 0.020 . 2 . . . A 475 LYS HG3 . 25188 1 1562 . 1 1 129 129 LYS HD2 H 1 1.148 0.020 . 1 . . . A 475 LYS HD2 . 25188 1 1563 . 1 1 129 129 LYS HD3 H 1 1.352 0.020 . 1 . . . A 475 LYS HD3 . 25188 1 1564 . 1 1 129 129 LYS HE2 H 1 2.681 0.020 . 2 . . . A 475 LYS HE2 . 25188 1 1565 . 1 1 129 129 LYS HE3 H 1 2.932 0.020 . 2 . . . A 475 LYS HE3 . 25188 1 1566 . 1 1 129 129 LYS C C 13 175.108 0.400 . 1 . . . A 475 LYS C . 25188 1 1567 . 1 1 129 129 LYS CA C 13 57.277 0.400 . 1 . . . A 475 LYS CA . 25188 1 1568 . 1 1 129 129 LYS CB C 13 28.773 0.400 . 1 . . . A 475 LYS CB . 25188 1 1569 . 1 1 129 129 LYS CG C 13 24.299 0.400 . 1 . . . A 475 LYS CG . 25188 1 1570 . 1 1 129 129 LYS CD C 13 29.968 0.400 . 1 . . . A 475 LYS CD . 25188 1 1571 . 1 1 129 129 LYS CE C 13 42.188 0.400 . 1 . . . A 475 LYS CE . 25188 1 1572 . 1 1 129 129 LYS N N 15 113.288 0.400 . 1 . . . A 475 LYS N . 25188 1 1573 . 1 1 130 130 ILE H H 1 8.219 0.020 . 1 . . . A 476 ILE H . 25188 1 1574 . 1 1 130 130 ILE HA H 1 3.707 0.020 . 1 . . . A 476 ILE HA . 25188 1 1575 . 1 1 130 130 ILE HB H 1 1.806 0.020 . 1 . . . A 476 ILE HB . 25188 1 1576 . 1 1 130 130 ILE HG12 H 1 0.882 0.020 . 2 . . . A 476 ILE HG12 . 25188 1 1577 . 1 1 130 130 ILE HG13 H 1 1.450 0.020 . 2 . . . A 476 ILE HG13 . 25188 1 1578 . 1 1 130 130 ILE HG21 H 1 0.720 0.020 . 1 . . . A 476 ILE HG21 . 25188 1 1579 . 1 1 130 130 ILE HG22 H 1 0.720 0.020 . 1 . . . A 476 ILE HG22 . 25188 1 1580 . 1 1 130 130 ILE HG23 H 1 0.720 0.020 . 1 . . . A 476 ILE HG23 . 25188 1 1581 . 1 1 130 130 ILE HD11 H 1 0.960 0.020 . 1 . . . A 476 ILE HD11 . 25188 1 1582 . 1 1 130 130 ILE HD12 H 1 0.960 0.020 . 1 . . . A 476 ILE HD12 . 25188 1 1583 . 1 1 130 130 ILE HD13 H 1 0.960 0.020 . 1 . . . A 476 ILE HD13 . 25188 1 1584 . 1 1 130 130 ILE C C 13 175.026 0.400 . 1 . . . A 476 ILE C . 25188 1 1585 . 1 1 130 130 ILE CA C 13 61.678 0.400 . 1 . . . A 476 ILE CA . 25188 1 1586 . 1 1 130 130 ILE CB C 13 37.094 0.400 . 1 . . . A 476 ILE CB . 25188 1 1587 . 1 1 130 130 ILE CG1 C 13 27.869 0.400 . 1 . . . A 476 ILE CG1 . 25188 1 1588 . 1 1 130 130 ILE CG2 C 13 16.869 0.400 . 1 . . . A 476 ILE CG2 . 25188 1 1589 . 1 1 130 130 ILE CD1 C 13 13.855 0.400 . 1 . . . A 476 ILE CD1 . 25188 1 1590 . 1 1 130 130 ILE N N 15 121.770 0.400 . 1 . . . A 476 ILE N . 25188 1 1591 . 1 1 131 131 GLY H H 1 7.560 0.020 . 1 . . . A 477 GLY H . 25188 1 1592 . 1 1 131 131 GLY HA2 H 1 3.840 0.020 . 1 . . . A 477 GLY HA2 . 25188 1 1593 . 1 1 131 131 GLY HA3 H 1 3.794 0.020 . 1 . . . A 477 GLY HA3 . 25188 1 1594 . 1 1 131 131 GLY C C 13 172.130 0.400 . 1 . . . A 477 GLY C . 25188 1 1595 . 1 1 131 131 GLY CA C 13 45.654 0.400 . 1 . . . A 477 GLY CA . 25188 1 1596 . 1 1 131 131 GLY N N 15 113.319 0.400 . 1 . . . A 477 GLY N . 25188 1 1597 . 1 1 132 132 ARG H H 1 8.633 0.020 . 1 . . . A 478 ARG H . 25188 1 1598 . 1 1 132 132 ARG HA H 1 4.394 0.020 . 1 . . . A 478 ARG HA . 25188 1 1599 . 1 1 132 132 ARG HB2 H 1 1.669 0.020 . 1 . . . A 478 ARG HB2 . 25188 1 1600 . 1 1 132 132 ARG HB3 H 1 1.973 0.020 . 1 . . . A 478 ARG HB3 . 25188 1 1601 . 1 1 132 132 ARG HG2 H 1 1.459 0.020 . 1 . . . A 478 ARG HG2 . 25188 1 1602 . 1 1 132 132 ARG HG3 H 1 1.506 0.020 . 1 . . . A 478 ARG HG3 . 25188 1 1603 . 1 1 132 132 ARG HD2 H 1 2.872 0.020 . 2 . . . A 478 ARG HD2 . 25188 1 1604 . 1 1 132 132 ARG HD3 H 1 3.224 0.020 . 2 . . . A 478 ARG HD3 . 25188 1 1605 . 1 1 132 132 ARG C C 13 175.161 0.400 . 1 . . . A 478 ARG C . 25188 1 1606 . 1 1 132 132 ARG CA C 13 54.102 0.400 . 1 . . . A 478 ARG CA . 25188 1 1607 . 1 1 132 132 ARG CB C 13 31.940 0.400 . 1 . . . A 478 ARG CB . 25188 1 1608 . 1 1 132 132 ARG CG C 13 26.489 0.400 . 1 . . . A 478 ARG CG . 25188 1 1609 . 1 1 132 132 ARG CD C 13 43.226 0.400 . 1 . . . A 478 ARG CD . 25188 1 1610 . 1 1 132 132 ARG N N 15 123.835 0.400 . 1 . . . A 478 ARG N . 25188 1 1611 . 1 1 133 133 ASP H H 1 9.024 0.020 . 1 . . . A 479 ASP H . 25188 1 1612 . 1 1 133 133 ASP HA H 1 4.117 0.020 . 1 . . . A 479 ASP HA . 25188 1 1613 . 1 1 133 133 ASP HB2 H 1 2.617 0.020 . 2 . . . A 479 ASP HB2 . 25188 1 1614 . 1 1 133 133 ASP HB3 H 1 2.718 0.020 . 2 . . . A 479 ASP HB3 . 25188 1 1615 . 1 1 133 133 ASP C C 13 178.271 0.400 . 1 . . . A 479 ASP C . 25188 1 1616 . 1 1 133 133 ASP CA C 13 56.800 0.400 . 1 . . . A 479 ASP CA . 25188 1 1617 . 1 1 133 133 ASP CB C 13 44.009 0.400 . 1 . . . A 479 ASP CB . 25188 1 1618 . 1 1 133 133 ASP N N 15 118.261 0.400 . 1 . . . A 479 ASP N . 25188 1 1619 . 1 1 134 134 GLY H H 1 9.769 0.020 . 1 . . . A 480 GLY H . 25188 1 1620 . 1 1 134 134 GLY HA2 H 1 3.180 0.020 . 2 . . . A 480 GLY HA2 . 25188 1 1621 . 1 1 134 134 GLY HA3 H 1 4.243 0.020 . 2 . . . A 480 GLY HA3 . 25188 1 1622 . 1 1 134 134 GLY C C 13 173.823 0.400 . 1 . . . A 480 GLY C . 25188 1 1623 . 1 1 134 134 GLY CA C 13 45.333 0.400 . 1 . . . A 480 GLY CA . 25188 1 1624 . 1 1 134 134 GLY N N 15 118.424 0.400 . 1 . . . A 480 GLY N . 25188 1 1625 . 1 1 135 135 GLN H H 1 8.226 0.020 . 1 . . . A 481 GLN H . 25188 1 1626 . 1 1 135 135 GLN HA H 1 3.951 0.020 . 1 . . . A 481 GLN HA . 25188 1 1627 . 1 1 135 135 GLN HB2 H 1 2.508 0.020 . 1 . . . A 481 GLN HB2 . 25188 1 1628 . 1 1 135 135 GLN HB3 H 1 1.996 0.020 . 1 . . . A 481 GLN HB3 . 25188 1 1629 . 1 1 135 135 GLN HG2 H 1 1.996 0.020 . 2 . . . A 481 GLN HG2 . 25188 1 1630 . 1 1 135 135 GLN HG3 H 1 2.245 0.020 . 2 . . . A 481 GLN HG3 . 25188 1 1631 . 1 1 135 135 GLN HE21 H 1 6.696 0.020 . 2 . . . A 481 GLN HE21 . 25188 1 1632 . 1 1 135 135 GLN HE22 H 1 8.834 0.020 . 2 . . . A 481 GLN HE22 . 25188 1 1633 . 1 1 135 135 GLN C C 13 174.972 0.400 . 1 . . . A 481 GLN C . 25188 1 1634 . 1 1 135 135 GLN CA C 13 56.047 0.400 . 1 . . . A 481 GLN CA . 25188 1 1635 . 1 1 135 135 GLN CB C 13 29.422 0.400 . 1 . . . A 481 GLN CB . 25188 1 1636 . 1 1 135 135 GLN CG C 13 32.968 0.400 . 1 . . . A 481 GLN CG . 25188 1 1637 . 1 1 135 135 GLN N N 15 122.776 0.400 . 1 . . . A 481 GLN N . 25188 1 1638 . 1 1 135 135 GLN NE2 N 15 117.270 0.400 . 1 . . . A 481 GLN NE2 . 25188 1 1639 . 1 1 136 136 GLU H H 1 9.098 0.020 . 1 . . . A 482 GLU H . 25188 1 1640 . 1 1 136 136 GLU HA H 1 4.449 0.020 . 1 . . . A 482 GLU HA . 25188 1 1641 . 1 1 136 136 GLU HG2 H 1 2.014 0.020 . 2 . . . A 482 GLU HG2 . 25188 1 1642 . 1 1 136 136 GLU HG3 H 1 2.280 0.020 . 2 . . . A 482 GLU HG3 . 25188 1 1643 . 1 1 136 136 GLU C C 13 177.101 0.400 . 1 . . . A 482 GLU C . 25188 1 1644 . 1 1 136 136 GLU CA C 13 56.839 0.400 . 1 . . . A 482 GLU CA . 25188 1 1645 . 1 1 136 136 GLU CG C 13 37.352 0.400 . 1 . . . A 482 GLU CG . 25188 1 1646 . 1 1 136 136 GLU N N 15 130.376 0.400 . 1 . . . A 482 GLU N . 25188 1 1647 . 1 1 137 137 ILE H H 1 8.444 0.020 . 1 . . . A 483 ILE H . 25188 1 1648 . 1 1 137 137 ILE HA H 1 3.918 0.020 . 1 . . . A 483 ILE HA . 25188 1 1649 . 1 1 137 137 ILE HB H 1 1.108 0.020 . 1 . . . A 483 ILE HB . 25188 1 1650 . 1 1 137 137 ILE HG12 H 1 0.569 0.020 . 1 . . . A 483 ILE HG12 . 25188 1 1651 . 1 1 137 137 ILE HG13 H 1 1.435 0.020 . 1 . . . A 483 ILE HG13 . 25188 1 1652 . 1 1 137 137 ILE HG21 H 1 0.455 0.020 . 1 . . . A 483 ILE HG21 . 25188 1 1653 . 1 1 137 137 ILE HG22 H 1 0.455 0.020 . 1 . . . A 483 ILE HG22 . 25188 1 1654 . 1 1 137 137 ILE HG23 H 1 0.455 0.020 . 1 . . . A 483 ILE HG23 . 25188 1 1655 . 1 1 137 137 ILE HD11 H 1 0.477 0.020 . 1 . . . A 483 ILE HD11 . 25188 1 1656 . 1 1 137 137 ILE HD12 H 1 0.477 0.020 . 1 . . . A 483 ILE HD12 . 25188 1 1657 . 1 1 137 137 ILE HD13 H 1 0.477 0.020 . 1 . . . A 483 ILE HD13 . 25188 1 1658 . 1 1 137 137 ILE C C 13 173.089 0.400 . 1 . . . A 483 ILE C . 25188 1 1659 . 1 1 137 137 ILE CA C 13 60.178 0.400 . 1 . . . A 483 ILE CA . 25188 1 1660 . 1 1 137 137 ILE CB C 13 39.723 0.400 . 1 . . . A 483 ILE CB . 25188 1 1661 . 1 1 137 137 ILE CG1 C 13 26.363 0.400 . 1 . . . A 483 ILE CG1 . 25188 1 1662 . 1 1 137 137 ILE CG2 C 13 17.477 0.400 . 1 . . . A 483 ILE CG2 . 25188 1 1663 . 1 1 137 137 ILE CD1 C 13 14.117 0.400 . 1 . . . A 483 ILE CD1 . 25188 1 1664 . 1 1 137 137 ILE N N 15 126.412 0.400 . 1 . . . A 483 ILE N . 25188 1 1665 . 1 1 138 138 GLU H H 1 6.121 0.020 . 1 . . . A 484 GLU H . 25188 1 1666 . 1 1 138 138 GLU HA H 1 1.320 0.020 . 1 . . . A 484 GLU HA . 25188 1 1667 . 1 1 138 138 GLU HB2 H 1 -0.135 0.020 . 1 . . . A 484 GLU HB2 . 25188 1 1668 . 1 1 138 138 GLU HB3 H 1 1.615 0.020 . 1 . . . A 484 GLU HB3 . 25188 1 1669 . 1 1 138 138 GLU HG2 H 1 1.515 0.020 . 2 . . . A 484 GLU HG2 . 25188 1 1670 . 1 1 138 138 GLU HG3 H 1 1.803 0.020 . 2 . . . A 484 GLU HG3 . 25188 1 1671 . 1 1 138 138 GLU C C 13 173.486 0.400 . 1 . . . A 484 GLU C . 25188 1 1672 . 1 1 138 138 GLU CA C 13 57.090 0.400 . 1 . . . A 484 GLU CA . 25188 1 1673 . 1 1 138 138 GLU CB C 13 29.351 0.400 . 1 . . . A 484 GLU CB . 25188 1 1674 . 1 1 138 138 GLU CG C 13 35.159 0.400 . 1 . . . A 484 GLU CG . 25188 1 1675 . 1 1 138 138 GLU N N 15 129.557 0.400 . 1 . . . A 484 GLU N . 25188 1 1676 . 1 1 139 139 LEU H H 1 5.797 0.020 . 1 . . . A 485 LEU H . 25188 1 1677 . 1 1 139 139 LEU HA H 1 3.889 0.020 . 1 . . . A 485 LEU HA . 25188 1 1678 . 1 1 139 139 LEU HB2 H 1 1.624 0.020 . 1 . . . A 485 LEU HB2 . 25188 1 1679 . 1 1 139 139 LEU HB3 H 1 1.986 0.020 . 1 . . . A 485 LEU HB3 . 25188 1 1680 . 1 1 139 139 LEU HG H 1 1.618 0.020 . 1 . . . A 485 LEU HG . 25188 1 1681 . 1 1 139 139 LEU HD11 H 1 1.181 0.020 . 2 . . . A 485 LEU HD11 . 25188 1 1682 . 1 1 139 139 LEU HD12 H 1 1.181 0.020 . 2 . . . A 485 LEU HD12 . 25188 1 1683 . 1 1 139 139 LEU HD13 H 1 1.181 0.020 . 2 . . . A 485 LEU HD13 . 25188 1 1684 . 1 1 139 139 LEU HD21 H 1 1.014 0.020 . 2 . . . A 485 LEU HD21 . 25188 1 1685 . 1 1 139 139 LEU HD22 H 1 1.014 0.020 . 2 . . . A 485 LEU HD22 . 25188 1 1686 . 1 1 139 139 LEU HD23 H 1 1.014 0.020 . 2 . . . A 485 LEU HD23 . 25188 1 1687 . 1 1 139 139 LEU C C 13 178.027 0.400 . 1 . . . A 485 LEU C . 25188 1 1688 . 1 1 139 139 LEU CA C 13 59.850 0.400 . 1 . . . A 485 LEU CA . 25188 1 1689 . 1 1 139 139 LEU CB C 13 43.257 0.400 . 1 . . . A 485 LEU CB . 25188 1 1690 . 1 1 139 139 LEU CG C 13 26.901 0.400 . 1 . . . A 485 LEU CG . 25188 1 1691 . 1 1 139 139 LEU CD1 C 13 24.449 0.400 . 1 . . . A 485 LEU CD1 . 25188 1 1692 . 1 1 139 139 LEU CD2 C 13 25.574 0.400 . 1 . . . A 485 LEU CD2 . 25188 1 1693 . 1 1 139 139 LEU N N 15 123.598 0.400 . 1 . . . A 485 LEU N . 25188 1 1694 . 1 1 140 140 GLU H H 1 8.935 0.020 . 1 . . . A 486 GLU H . 25188 1 1695 . 1 1 140 140 GLU HA H 1 3.879 0.020 . 1 . . . A 486 GLU HA . 25188 1 1696 . 1 1 140 140 GLU HB2 H 1 2.066 0.020 . 1 . . . A 486 GLU HB2 . 25188 1 1697 . 1 1 140 140 GLU HB3 H 1 2.118 0.020 . 1 . . . A 486 GLU HB3 . 25188 1 1698 . 1 1 140 140 GLU HG2 H 1 2.250 0.020 . 1 . . . A 486 GLU HG2 . 25188 1 1699 . 1 1 140 140 GLU HG3 H 1 2.170 0.020 . 1 . . . A 486 GLU HG3 . 25188 1 1700 . 1 1 140 140 GLU C C 13 178.236 0.400 . 1 . . . A 486 GLU C . 25188 1 1701 . 1 1 140 140 GLU CA C 13 59.841 0.400 . 1 . . . A 486 GLU CA . 25188 1 1702 . 1 1 140 140 GLU CB C 13 28.316 0.400 . 1 . . . A 486 GLU CB . 25188 1 1703 . 1 1 140 140 GLU CG C 13 35.929 0.400 . 1 . . . A 486 GLU CG . 25188 1 1704 . 1 1 140 140 GLU N N 15 123.325 0.400 . 1 . . . A 486 GLU N . 25188 1 1705 . 1 1 141 141 CYS H H 1 8.172 0.020 . 1 . . . A 487 CYS H . 25188 1 1706 . 1 1 141 141 CYS HA H 1 3.757 0.020 . 1 . . . A 487 CYS HA . 25188 1 1707 . 1 1 141 141 CYS HB2 H 1 2.561 0.020 . 1 . . . A 487 CYS HB2 . 25188 1 1708 . 1 1 141 141 CYS HB3 H 1 2.843 0.020 . 1 . . . A 487 CYS HB3 . 25188 1 1709 . 1 1 141 141 CYS C C 13 175.782 0.400 . 1 . . . A 487 CYS C . 25188 1 1710 . 1 1 141 141 CYS CA C 13 61.972 0.400 . 1 . . . A 487 CYS CA . 25188 1 1711 . 1 1 141 141 CYS CB C 13 25.537 0.400 . 1 . . . A 487 CYS CB . 25188 1 1712 . 1 1 141 141 CYS N N 15 121.625 0.400 . 1 . . . A 487 CYS N . 25188 1 1713 . 1 1 142 142 GLY H H 1 8.561 0.020 . 1 . . . A 488 GLY H . 25188 1 1714 . 1 1 142 142 GLY HA2 H 1 2.545 0.020 . 1 . . . A 488 GLY HA2 . 25188 1 1715 . 1 1 142 142 GLY HA3 H 1 1.661 0.020 . 1 . . . A 488 GLY HA3 . 25188 1 1716 . 1 1 142 142 GLY C C 13 174.061 0.400 . 1 . . . A 488 GLY C . 25188 1 1717 . 1 1 142 142 GLY CA C 13 45.594 0.400 . 1 . . . A 488 GLY CA . 25188 1 1718 . 1 1 142 142 GLY N N 15 105.717 0.400 . 1 . . . A 488 GLY N . 25188 1 1719 . 1 1 143 143 THR H H 1 7.586 0.020 . 1 . . . A 489 THR H . 25188 1 1720 . 1 1 143 143 THR HA H 1 3.298 0.020 . 1 . . . A 489 THR HA . 25188 1 1721 . 1 1 143 143 THR HB H 1 4.159 0.020 . 1 . . . A 489 THR HB . 25188 1 1722 . 1 1 143 143 THR HG21 H 1 1.071 0.020 . 1 . . . A 489 THR HG21 . 25188 1 1723 . 1 1 143 143 THR HG22 H 1 1.071 0.020 . 1 . . . A 489 THR HG22 . 25188 1 1724 . 1 1 143 143 THR HG23 H 1 1.071 0.020 . 1 . . . A 489 THR HG23 . 25188 1 1725 . 1 1 143 143 THR C C 13 175.097 0.400 . 1 . . . A 489 THR C . 25188 1 1726 . 1 1 143 143 THR CA C 13 67.528 0.400 . 1 . . . A 489 THR CA . 25188 1 1727 . 1 1 143 143 THR CB C 13 68.747 0.400 . 1 . . . A 489 THR CB . 25188 1 1728 . 1 1 143 143 THR CG2 C 13 20.144 0.400 . 1 . . . A 489 THR CG2 . 25188 1 1729 . 1 1 143 143 THR N N 15 118.467 0.400 . 1 . . . A 489 THR N . 25188 1 1730 . 1 1 144 144 GLN H H 1 7.846 0.020 . 1 . . . A 490 GLN H . 25188 1 1731 . 1 1 144 144 GLN HA H 1 3.647 0.020 . 1 . . . A 490 GLN HA . 25188 1 1732 . 1 1 144 144 GLN HB2 H 1 1.922 0.020 . 2 . . . A 490 GLN HB2 . 25188 1 1733 . 1 1 144 144 GLN HB3 H 1 1.922 0.020 . 2 . . . A 490 GLN HB3 . 25188 1 1734 . 1 1 144 144 GLN HG2 H 1 2.355 0.020 . 1 . . . A 490 GLN HG2 . 25188 1 1735 . 1 1 144 144 GLN HG3 H 1 2.471 0.020 . 1 . . . A 490 GLN HG3 . 25188 1 1736 . 1 1 144 144 GLN HE21 H 1 7.409 0.020 . 1 . . . A 490 GLN HE21 . 25188 1 1737 . 1 1 144 144 GLN HE22 H 1 6.700 0.020 . 1 . . . A 490 GLN HE22 . 25188 1 1738 . 1 1 144 144 GLN C C 13 178.779 0.400 . 1 . . . A 490 GLN C . 25188 1 1739 . 1 1 144 144 GLN CA C 13 58.612 0.400 . 1 . . . A 490 GLN CA . 25188 1 1740 . 1 1 144 144 GLN CB C 13 28.322 0.400 . 1 . . . A 490 GLN CB . 25188 1 1741 . 1 1 144 144 GLN CG C 13 34.055 0.400 . 1 . . . A 490 GLN CG . 25188 1 1742 . 1 1 144 144 GLN N N 15 117.225 0.400 . 1 . . . A 490 GLN N . 25188 1 1743 . 1 1 144 144 GLN NE2 N 15 112.608 0.400 . 1 . . . A 490 GLN NE2 . 25188 1 1744 . 1 1 145 145 LEU H H 1 8.188 0.020 . 1 . . . A 491 LEU H . 25188 1 1745 . 1 1 145 145 LEU HA H 1 3.643 0.020 . 1 . . . A 491 LEU HA . 25188 1 1746 . 1 1 145 145 LEU HB2 H 1 1.700 0.020 . 1 . . . A 491 LEU HB2 . 25188 1 1747 . 1 1 145 145 LEU HB3 H 1 1.035 0.020 . 1 . . . A 491 LEU HB3 . 25188 1 1748 . 1 1 145 145 LEU HG H 1 1.079 0.020 . 1 . . . A 491 LEU HG . 25188 1 1749 . 1 1 145 145 LEU HD11 H 1 0.236 0.020 . 2 . . . A 491 LEU HD11 . 25188 1 1750 . 1 1 145 145 LEU HD12 H 1 0.236 0.020 . 2 . . . A 491 LEU HD12 . 25188 1 1751 . 1 1 145 145 LEU HD13 H 1 0.236 0.020 . 2 . . . A 491 LEU HD13 . 25188 1 1752 . 1 1 145 145 LEU HD21 H 1 0.345 0.020 . 2 . . . A 491 LEU HD21 . 25188 1 1753 . 1 1 145 145 LEU HD22 H 1 0.345 0.020 . 2 . . . A 491 LEU HD22 . 25188 1 1754 . 1 1 145 145 LEU HD23 H 1 0.345 0.020 . 2 . . . A 491 LEU HD23 . 25188 1 1755 . 1 1 145 145 LEU C C 13 178.354 0.400 . 1 . . . A 491 LEU C . 25188 1 1756 . 1 1 145 145 LEU CA C 13 57.801 0.400 . 1 . . . A 491 LEU CA . 25188 1 1757 . 1 1 145 145 LEU CB C 13 41.620 0.400 . 1 . . . A 491 LEU CB . 25188 1 1758 . 1 1 145 145 LEU CG C 13 26.822 0.400 . 1 . . . A 491 LEU CG . 25188 1 1759 . 1 1 145 145 LEU CD1 C 13 26.111 0.400 . 1 . . . A 491 LEU CD1 . 25188 1 1760 . 1 1 145 145 LEU CD2 C 13 22.871 0.400 . 1 . . . A 491 LEU CD2 . 25188 1 1761 . 1 1 145 145 LEU N N 15 120.185 0.400 . 1 . . . A 491 LEU N . 25188 1 1762 . 1 1 146 146 CYS H H 1 7.647 0.020 . 1 . . . A 492 CYS H . 25188 1 1763 . 1 1 146 146 CYS HA H 1 3.681 0.020 . 1 . . . A 492 CYS HA . 25188 1 1764 . 1 1 146 146 CYS HB2 H 1 1.765 0.020 . 2 . . . A 492 CYS HB2 . 25188 1 1765 . 1 1 146 146 CYS HB3 H 1 2.567 0.020 . 2 . . . A 492 CYS HB3 . 25188 1 1766 . 1 1 146 146 CYS C C 13 177.797 0.400 . 1 . . . A 492 CYS C . 25188 1 1767 . 1 1 146 146 CYS CA C 13 64.202 0.400 . 1 . . . A 492 CYS CA . 25188 1 1768 . 1 1 146 146 CYS CB C 13 27.535 0.400 . 1 . . . A 492 CYS CB . 25188 1 1769 . 1 1 146 146 CYS N N 15 115.095 0.400 . 1 . . . A 492 CYS N . 25188 1 1770 . 1 1 147 147 LEU H H 1 7.649 0.020 . 1 . . . A 493 LEU H . 25188 1 1771 . 1 1 147 147 LEU HA H 1 4.119 0.020 . 1 . . . A 493 LEU HA . 25188 1 1772 . 1 1 147 147 LEU HB2 H 1 1.530 0.020 . 2 . . . A 493 LEU HB2 . 25188 1 1773 . 1 1 147 147 LEU HB3 H 1 1.741 0.020 . 2 . . . A 493 LEU HB3 . 25188 1 1774 . 1 1 147 147 LEU HG H 1 1.774 0.020 . 1 . . . A 493 LEU HG . 25188 1 1775 . 1 1 147 147 LEU HD11 H 1 0.722 0.020 . 2 . . . A 493 LEU HD11 . 25188 1 1776 . 1 1 147 147 LEU HD12 H 1 0.722 0.020 . 2 . . . A 493 LEU HD12 . 25188 1 1777 . 1 1 147 147 LEU HD13 H 1 0.722 0.020 . 2 . . . A 493 LEU HD13 . 25188 1 1778 . 1 1 147 147 LEU HD21 H 1 0.766 0.020 . 2 . . . A 493 LEU HD21 . 25188 1 1779 . 1 1 147 147 LEU HD22 H 1 0.766 0.020 . 2 . . . A 493 LEU HD22 . 25188 1 1780 . 1 1 147 147 LEU HD23 H 1 0.766 0.020 . 2 . . . A 493 LEU HD23 . 25188 1 1781 . 1 1 147 147 LEU C C 13 177.479 0.400 . 1 . . . A 493 LEU C . 25188 1 1782 . 1 1 147 147 LEU CA C 13 56.568 0.400 . 1 . . . A 493 LEU CA . 25188 1 1783 . 1 1 147 147 LEU CB C 13 41.404 0.400 . 1 . . . A 493 LEU CB . 25188 1 1784 . 1 1 147 147 LEU CG C 13 26.558 0.400 . 1 . . . A 493 LEU CG . 25188 1 1785 . 1 1 147 147 LEU CD1 C 13 25.537 0.400 . 1 . . . A 493 LEU CD1 . 25188 1 1786 . 1 1 147 147 LEU CD2 C 13 22.414 0.400 . 1 . . . A 493 LEU CD2 . 25188 1 1787 . 1 1 147 147 LEU N N 15 117.907 0.400 . 1 . . . A 493 LEU N . 25188 1 1788 . 1 1 148 148 LEU H H 1 7.559 0.020 . 1 . . . A 494 LEU H . 25188 1 1789 . 1 1 148 148 LEU HA H 1 4.210 0.020 . 1 . . . A 494 LEU HA . 25188 1 1790 . 1 1 148 148 LEU HB2 H 1 2.048 0.020 . 1 . . . A 494 LEU HB2 . 25188 1 1791 . 1 1 148 148 LEU HB3 H 1 1.298 0.020 . 1 . . . A 494 LEU HB3 . 25188 1 1792 . 1 1 148 148 LEU HG H 1 2.022 0.020 . 1 . . . A 494 LEU HG . 25188 1 1793 . 1 1 148 148 LEU HD11 H 1 0.921 0.020 . 2 . . . A 494 LEU HD11 . 25188 1 1794 . 1 1 148 148 LEU HD12 H 1 0.921 0.020 . 2 . . . A 494 LEU HD12 . 25188 1 1795 . 1 1 148 148 LEU HD13 H 1 0.921 0.020 . 2 . . . A 494 LEU HD13 . 25188 1 1796 . 1 1 148 148 LEU HD21 H 1 0.849 0.020 . 2 . . . A 494 LEU HD21 . 25188 1 1797 . 1 1 148 148 LEU HD22 H 1 0.849 0.020 . 2 . . . A 494 LEU HD22 . 25188 1 1798 . 1 1 148 148 LEU HD23 H 1 0.849 0.020 . 2 . . . A 494 LEU HD23 . 25188 1 1799 . 1 1 148 148 LEU C C 13 178.155 0.400 . 1 . . . A 494 LEU C . 25188 1 1800 . 1 1 148 148 LEU CA C 13 55.649 0.400 . 1 . . . A 494 LEU CA . 25188 1 1801 . 1 1 148 148 LEU CB C 13 43.837 0.400 . 1 . . . A 494 LEU CB . 25188 1 1802 . 1 1 148 148 LEU CG C 13 25.808 0.400 . 1 . . . A 494 LEU CG . 25188 1 1803 . 1 1 148 148 LEU CD1 C 13 23.009 0.400 . 1 . . . A 494 LEU CD1 . 25188 1 1804 . 1 1 148 148 LEU CD2 C 13 26.542 0.400 . 1 . . . A 494 LEU CD2 . 25188 1 1805 . 1 1 148 148 LEU N N 15 118.457 0.400 . 1 . . . A 494 LEU N . 25188 1 1806 . 1 1 149 149 PHE H H 1 7.297 0.020 . 1 . . . A 495 PHE H . 25188 1 1807 . 1 1 149 149 PHE HA H 1 4.249 0.020 . 1 . . . A 495 PHE HA . 25188 1 1808 . 1 1 149 149 PHE HB2 H 1 3.273 0.020 . 1 . . . A 495 PHE HB2 . 25188 1 1809 . 1 1 149 149 PHE HB3 H 1 3.469 0.020 . 1 . . . A 495 PHE HB3 . 25188 1 1810 . 1 1 149 149 PHE HD1 H 1 7.694 0.020 . 1 . . . A 495 PHE HD1 . 25188 1 1811 . 1 1 149 149 PHE HD2 H 1 7.694 0.020 . 1 . . . A 495 PHE HD2 . 25188 1 1812 . 1 1 149 149 PHE HE1 H 1 6.973 0.020 . 1 . . . A 495 PHE HE1 . 25188 1 1813 . 1 1 149 149 PHE HE2 H 1 6.973 0.020 . 1 . . . A 495 PHE HE2 . 25188 1 1814 . 1 1 149 149 PHE HZ H 1 6.886 0.020 . 1 . . . A 495 PHE HZ . 25188 1 1815 . 1 1 149 149 PHE CA C 13 58.019 0.400 . 1 . . . A 495 PHE CA . 25188 1 1816 . 1 1 149 149 PHE CB C 13 38.803 0.400 . 1 . . . A 495 PHE CB . 25188 1 1817 . 1 1 149 149 PHE CD1 C 13 133.793 0.400 . 1 . . . A 495 PHE CD1 . 25188 1 1818 . 1 1 149 149 PHE CE1 C 13 130.748 0.400 . 1 . . . A 495 PHE CE1 . 25188 1 1819 . 1 1 149 149 PHE CZ C 13 128.026 0.400 . 1 . . . A 495 PHE CZ . 25188 1 1820 . 1 1 149 149 PHE N N 15 117.017 0.400 . 1 . . . A 495 PHE N . 25188 1 1821 . 1 1 150 150 PRO HA H 1 4.790 0.020 . 1 . . . A 496 PRO HA . 25188 1 1822 . 1 1 150 150 PRO HB2 H 1 2.393 0.020 . 1 . . . A 496 PRO HB2 . 25188 1 1823 . 1 1 150 150 PRO HB3 H 1 1.832 0.020 . 1 . . . A 496 PRO HB3 . 25188 1 1824 . 1 1 150 150 PRO HG2 H 1 2.096 0.020 . 1 . . . A 496 PRO HG2 . 25188 1 1825 . 1 1 150 150 PRO HG3 H 1 2.194 0.020 . 1 . . . A 496 PRO HG3 . 25188 1 1826 . 1 1 150 150 PRO HD2 H 1 3.555 0.020 . 2 . . . A 496 PRO HD2 . 25188 1 1827 . 1 1 150 150 PRO HD3 H 1 3.808 0.020 . 2 . . . A 496 PRO HD3 . 25188 1 1828 . 1 1 150 150 PRO CA C 13 60.936 0.400 . 1 . . . A 496 PRO CA . 25188 1 1829 . 1 1 150 150 PRO CB C 13 30.646 0.400 . 1 . . . A 496 PRO CB . 25188 1 1830 . 1 1 150 150 PRO CG C 13 27.532 0.400 . 1 . . . A 496 PRO CG . 25188 1 1831 . 1 1 150 150 PRO CD C 13 50.259 0.400 . 1 . . . A 496 PRO CD . 25188 1 1832 . 1 1 151 151 PRO HA H 1 4.487 0.020 . 1 . . . A 497 PRO HA . 25188 1 1833 . 1 1 151 151 PRO HB2 H 1 1.928 0.020 . 1 . . . A 497 PRO HB2 . 25188 1 1834 . 1 1 151 151 PRO HB3 H 1 2.322 0.020 . 1 . . . A 497 PRO HB3 . 25188 1 1835 . 1 1 151 151 PRO HG2 H 1 2.053 0.020 . 2 . . . A 497 PRO HG2 . 25188 1 1836 . 1 1 151 151 PRO HG3 H 1 2.053 0.020 . 2 . . . A 497 PRO HG3 . 25188 1 1837 . 1 1 151 151 PRO HD2 H 1 3.865 0.020 . 1 . . . A 497 PRO HD2 . 25188 1 1838 . 1 1 151 151 PRO HD3 H 1 3.624 0.020 . 1 . . . A 497 PRO HD3 . 25188 1 1839 . 1 1 151 151 PRO C C 13 177.429 0.400 . 1 . . . A 497 PRO C . 25188 1 1840 . 1 1 151 151 PRO CA C 13 62.386 0.400 . 1 . . . A 497 PRO CA . 25188 1 1841 . 1 1 151 151 PRO CB C 13 32.199 0.400 . 1 . . . A 497 PRO CB . 25188 1 1842 . 1 1 151 151 PRO CG C 13 27.503 0.400 . 1 . . . A 497 PRO CG . 25188 1 1843 . 1 1 151 151 PRO CD C 13 50.100 0.400 . 1 . . . A 497 PRO CD . 25188 1 1844 . 1 1 152 152 ASP H H 1 8.708 0.020 . 1 . . . A 498 ASP H . 25188 1 1845 . 1 1 152 152 ASP HA H 1 4.560 0.020 . 1 . . . A 498 ASP HA . 25188 1 1846 . 1 1 152 152 ASP HB2 H 1 2.575 0.020 . 2 . . . A 498 ASP HB2 . 25188 1 1847 . 1 1 152 152 ASP HB3 H 1 2.812 0.020 . 2 . . . A 498 ASP HB3 . 25188 1 1848 . 1 1 152 152 ASP C C 13 176.583 0.400 . 1 . . . A 498 ASP C . 25188 1 1849 . 1 1 152 152 ASP CA C 13 55.116 0.400 . 1 . . . A 498 ASP CA . 25188 1 1850 . 1 1 152 152 ASP CB C 13 42.236 0.400 . 1 . . . A 498 ASP CB . 25188 1 1851 . 1 1 152 152 ASP N N 15 122.191 0.400 . 1 . . . A 498 ASP N . 25188 1 1852 . 1 1 153 153 GLU H H 1 8.590 0.020 . 1 . . . A 499 GLU H . 25188 1 1853 . 1 1 153 153 GLU HA H 1 4.330 0.020 . 1 . . . A 499 GLU HA . 25188 1 1854 . 1 1 153 153 GLU HB2 H 1 1.932 0.020 . 1 . . . A 499 GLU HB2 . 25188 1 1855 . 1 1 153 153 GLU HB3 H 1 2.079 0.020 . 1 . . . A 499 GLU HB3 . 25188 1 1856 . 1 1 153 153 GLU HG2 H 1 2.242 0.020 . 2 . . . A 499 GLU HG2 . 25188 1 1857 . 1 1 153 153 GLU HG3 H 1 2.242 0.020 . 2 . . . A 499 GLU HG3 . 25188 1 1858 . 1 1 153 153 GLU C C 13 176.304 0.400 . 1 . . . A 499 GLU C . 25188 1 1859 . 1 1 153 153 GLU CA C 13 56.341 0.400 . 1 . . . A 499 GLU CA . 25188 1 1860 . 1 1 153 153 GLU CB C 13 30.082 0.400 . 1 . . . A 499 GLU CB . 25188 1 1861 . 1 1 153 153 GLU CG C 13 36.314 0.400 . 1 . . . A 499 GLU CG . 25188 1 1862 . 1 1 153 153 GLU N N 15 120.236 0.400 . 1 . . . A 499 GLU N . 25188 1 1863 . 1 1 154 154 SER H H 1 8.297 0.020 . 1 . . . A 500 SER H . 25188 1 1864 . 1 1 154 154 SER HA H 1 4.442 0.020 . 1 . . . A 500 SER HA . 25188 1 1865 . 1 1 154 154 SER HB2 H 1 3.853 0.020 . 2 . . . A 500 SER HB2 . 25188 1 1866 . 1 1 154 154 SER HB3 H 1 3.853 0.020 . 2 . . . A 500 SER HB3 . 25188 1 1867 . 1 1 154 154 SER C C 13 174.292 0.400 . 1 . . . A 500 SER C . 25188 1 1868 . 1 1 154 154 SER CA C 13 58.382 0.400 . 1 . . . A 500 SER CA . 25188 1 1869 . 1 1 154 154 SER CB C 13 63.744 0.400 . 1 . . . A 500 SER CB . 25188 1 1870 . 1 1 154 154 SER N N 15 116.795 0.400 . 1 . . . A 500 SER N . 25188 1 1871 . 1 1 155 155 ILE H H 1 8.053 0.020 . 1 . . . A 501 ILE H . 25188 1 1872 . 1 1 155 155 ILE HA H 1 4.231 0.020 . 1 . . . A 501 ILE HA . 25188 1 1873 . 1 1 155 155 ILE HB H 1 1.890 0.020 . 1 . . . A 501 ILE HB . 25188 1 1874 . 1 1 155 155 ILE HG12 H 1 1.122 0.020 . 1 . . . A 501 ILE HG12 . 25188 1 1875 . 1 1 155 155 ILE HG13 H 1 1.346 0.020 . 1 . . . A 501 ILE HG13 . 25188 1 1876 . 1 1 155 155 ILE HG21 H 1 0.896 0.020 . 1 . . . A 501 ILE HG21 . 25188 1 1877 . 1 1 155 155 ILE HG22 H 1 0.896 0.020 . 1 . . . A 501 ILE HG22 . 25188 1 1878 . 1 1 155 155 ILE HG23 H 1 0.896 0.020 . 1 . . . A 501 ILE HG23 . 25188 1 1879 . 1 1 155 155 ILE HD11 H 1 0.807 0.020 . 1 . . . A 501 ILE HD11 . 25188 1 1880 . 1 1 155 155 ILE HD12 H 1 0.807 0.020 . 1 . . . A 501 ILE HD12 . 25188 1 1881 . 1 1 155 155 ILE HD13 H 1 0.807 0.020 . 1 . . . A 501 ILE HD13 . 25188 1 1882 . 1 1 155 155 ILE C C 13 175.043 0.400 . 1 . . . A 501 ILE C . 25188 1 1883 . 1 1 155 155 ILE CA C 13 60.977 0.400 . 1 . . . A 501 ILE CA . 25188 1 1884 . 1 1 155 155 ILE CB C 13 38.957 0.400 . 1 . . . A 501 ILE CB . 25188 1 1885 . 1 1 155 155 ILE CG1 C 13 26.987 0.400 . 1 . . . A 501 ILE CG1 . 25188 1 1886 . 1 1 155 155 ILE CG2 C 13 17.506 0.400 . 1 . . . A 501 ILE CG2 . 25188 1 1887 . 1 1 155 155 ILE CD1 C 13 13.125 0.400 . 1 . . . A 501 ILE CD1 . 25188 1 1888 . 1 1 155 155 ILE N N 15 121.975 0.400 . 1 . . . A 501 ILE N . 25188 1 1889 . 1 1 156 156 ASP H H 1 7.884 0.020 . 1 . . . A 502 ASP H . 25188 1 1890 . 1 1 156 156 ASP HA H 1 4.362 0.020 . 1 . . . A 502 ASP HA . 25188 1 1891 . 1 1 156 156 ASP HB2 H 1 2.526 0.020 . 2 . . . A 502 ASP HB2 . 25188 1 1892 . 1 1 156 156 ASP HB3 H 1 2.626 0.020 . 2 . . . A 502 ASP HB3 . 25188 1 1893 . 1 1 156 156 ASP CA C 13 55.766 0.400 . 1 . . . A 502 ASP CA . 25188 1 1894 . 1 1 156 156 ASP CB C 13 42.255 0.400 . 1 . . . A 502 ASP CB . 25188 1 1895 . 1 1 156 156 ASP N N 15 129.025 0.400 . 1 . . . A 502 ASP N . 25188 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 25188 _Assigned_chem_shift_list.ID 2 _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 4 '2D 1H-1H TOCSY' . . . 25188 2 5 '2D 1H-1H NOESY' . . . 25188 2 14 '2D 1H-13C HSQC aliphatic' . . . 25188 2 15 '2D 1H-13C HSQC aromatic' . . . 25188 2 17 '2D 1H -1H NOESY 13C F1-filtered F2-filtered' . . . 25188 2 19 '2D 1H -1H NOESY 13C15N F2-filtered' . . . 25188 2 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 . 2 2 1 1 U H1' H 1 5.867 0.020 . 1 . . . B 157 U H1' . 25188 2 2 . 2 2 1 1 U H2' H 1 4.501 0.020 . 1 . . . B 157 U H2' . 25188 2 3 . 2 2 1 1 U H3' H 1 4.224 0.020 . 1 . . . B 157 U H3' . 25188 2 4 . 2 2 1 1 U H4' H 1 4.096 0.020 . 1 . . . B 157 U H4' . 25188 2 5 . 2 2 1 1 U H5 H 1 5.856 0.020 . 1 . . . B 157 U H5 . 25188 2 6 . 2 2 1 1 U H5' H 1 3.259 0.020 . 2 . . . B 157 U H5' . 25188 2 7 . 2 2 1 1 U H5'' H 1 3.540 0.020 . 2 . . . B 157 U H5'' . 25188 2 8 . 2 2 1 1 U H6 H 1 7.756 0.020 . 1 . . . B 157 U H6 . 25188 2 9 . 2 2 1 1 U C1' C 13 90.630 0.400 . 1 . . . B 157 U C1' . 25188 2 10 . 2 2 1 1 U C2' C 13 76.980 0.400 . 1 . . . B 157 U C2' . 25188 2 11 . 2 2 1 1 U C3' C 13 75.892 0.400 . 1 . . . B 157 U C3' . 25188 2 12 . 2 2 1 1 U C4' C 13 86.547 0.400 . 1 . . . B 157 U C4' . 25188 2 13 . 2 2 1 1 U C5 C 13 105.428 0.400 . 1 . . . B 157 U C5 . 25188 2 14 . 2 2 1 1 U C5' C 13 63.255 0.400 . 1 . . . B 157 U C5' . 25188 2 15 . 2 2 1 1 U C6 C 13 144.224 0.400 . 1 . . . B 157 U C6 . 25188 2 16 . 2 2 2 2 G H1' H 1 5.915 0.020 . 1 . . . B 158 G H1' . 25188 2 17 . 2 2 2 2 G H2' H 1 4.479 0.020 . 1 . . . B 158 G H2' . 25188 2 18 . 2 2 2 2 G H3' H 1 5.347 0.020 . 1 . . . B 158 G H3' . 25188 2 19 . 2 2 2 2 G H4' H 1 4.473 0.020 . 1 . . . B 158 G H4' . 25188 2 20 . 2 2 2 2 G H5' H 1 4.103 0.020 . 2 . . . B 158 G H5' . 25188 2 21 . 2 2 2 2 G H5'' H 1 4.315 0.020 . 2 . . . B 158 G H5'' . 25188 2 22 . 2 2 2 2 G H8 H 1 7.951 0.020 . 1 . . . B 158 G H8 . 25188 2 23 . 2 2 2 2 G C1' C 13 91.610 0.400 . 1 . . . B 158 G C1' . 25188 2 24 . 2 2 2 2 G C2' C 13 77.345 0.400 . 1 . . . B 158 G C2' . 25188 2 25 . 2 2 2 2 G C3' C 13 76.786 0.400 . 1 . . . B 158 G C3' . 25188 2 26 . 2 2 2 2 G C4' C 13 84.116 0.400 . 1 . . . B 158 G C4' . 25188 2 27 . 2 2 2 2 G C8 C 13 140.945 0.400 . 1 . . . B 158 G C8 . 25188 2 28 . 2 2 3 3 6MZ C1' C 13 90.514 0.400 . 1 . . . B 159 6MZ C1' . 25188 2 29 . 2 2 3 3 6MZ C2 C 13 155.654 0.400 . 1 . . . B 159 6MZ C2 . 25188 2 30 . 2 2 3 3 6MZ C3' C 13 75.687 0.400 . 1 . . . B 159 6MZ C3' . 25188 2 31 . 2 2 3 3 6MZ C4' C 13 83.929 0.400 . 1 . . . B 159 6MZ C4' . 25188 2 32 . 2 2 3 3 6MZ C8 C 13 143.551 0.400 . 1 . . . B 159 6MZ C8 . 25188 2 33 . 2 2 3 3 6MZ H1' H 1 5.876 0.020 . 1 . . . B 159 6MZ H1' . 25188 2 34 . 2 2 3 3 6MZ H2 H 1 8.219 0.020 . 1 . . . B 159 6MZ H2 . 25188 2 35 . 2 2 3 3 6MZ H2' H 1 4.205 0.020 . 1 . . . B 159 6MZ H2' . 25188 2 36 . 2 2 3 3 6MZ H3' H 1 4.583 0.020 . 1 . . . B 159 6MZ H3' . 25188 2 37 . 2 2 3 3 6MZ H4' H 1 4.368 0.020 . 1 . . . B 159 6MZ H4' . 25188 2 38 . 2 2 3 3 6MZ H5'1 H 1 4.052 0.020 . 2 . . . B 159 6MZ H5'1 . 25188 2 39 . 2 2 3 3 6MZ H5'2 H 1 4.594 0.020 . 2 . . . B 159 6MZ H5'2 . 25188 2 40 . 2 2 3 3 6MZ H6 H 1 6.606 0.020 . 1 . . . B 159 6MZ H6 . 25188 2 41 . 2 2 3 3 6MZ H8 H 1 8.319 0.020 . 1 . . . B 159 6MZ H8 . 25188 2 42 . 2 2 3 3 6MZ H9 H 1 0.678 0.020 . 1 . . . B 159 6MZ H9 . 25188 2 43 . 2 2 3 3 6MZ H9C1 H 1 0.678 0.020 . 1 . . . B 159 6MZ H9C1 . 25188 2 44 . 2 2 3 3 6MZ H9C2 H 1 0.678 0.020 . 1 . . . B 159 6MZ H9C2 . 25188 2 45 . 2 2 4 4 C H1' H 1 5.633 0.020 . 1 . . . B 160 C H1' . 25188 2 46 . 2 2 4 4 C H2' H 1 3.340 0.020 . 1 . . . B 160 C H2' . 25188 2 47 . 2 2 4 4 C H3' H 1 4.377 0.020 . 1 . . . B 160 C H3' . 25188 2 48 . 2 2 4 4 C H4' H 1 4.682 0.020 . 1 . . . B 160 C H4' . 25188 2 49 . 2 2 4 4 C H5 H 1 5.853 0.020 . 1 . . . B 160 C H5 . 25188 2 50 . 2 2 4 4 C H5' H 1 4.000 0.020 . 2 . . . B 160 C H5' . 25188 2 51 . 2 2 4 4 C H5'' H 1 4.552 0.020 . 2 . . . B 160 C H5'' . 25188 2 52 . 2 2 4 4 C H6 H 1 7.258 0.020 . 1 . . . B 160 C H6 . 25188 2 53 . 2 2 4 4 C C2' C 13 76.502 0.400 . 1 . . . B 160 C C2' . 25188 2 54 . 2 2 4 4 C C3' C 13 75.500 0.400 . 1 . . . B 160 C C3' . 25188 2 55 . 2 2 4 4 C C4' C 13 83.118 0.400 . 1 . . . B 160 C C4' . 25188 2 56 . 2 2 4 4 C C5 C 13 99.146 0.400 . 1 . . . B 160 C C5 . 25188 2 57 . 2 2 4 4 C C6 C 13 142.371 0.400 . 1 . . . B 160 C C6 . 25188 2 58 . 2 2 5 5 A H1' H 1 6.058 0.020 . 1 . . . B 161 A H1' . 25188 2 59 . 2 2 5 5 A H2 H 1 8.136 0.020 . 1 . . . B 161 A H2 . 25188 2 60 . 2 2 5 5 A H2' H 1 4.459 0.020 . 1 . . . B 161 A H2' . 25188 2 61 . 2 2 5 5 A H3' H 1 5.057 0.020 . 1 . . . B 161 A H3' . 25188 2 62 . 2 2 5 5 A H4' H 1 3.791 0.020 . 1 . . . B 161 A H4' . 25188 2 63 . 2 2 5 5 A H5' H 1 4.171 0.020 . 2 . . . B 161 A H5' . 25188 2 64 . 2 2 5 5 A H5'' H 1 4.800 0.020 . 2 . . . B 161 A H5'' . 25188 2 65 . 2 2 5 5 A H8 H 1 8.362 0.020 . 1 . . . B 161 A H8 . 25188 2 66 . 2 2 5 5 A C1' C 13 92.202 0.400 . 1 . . . B 161 A C1' . 25188 2 67 . 2 2 5 5 A C2 C 13 155.840 0.400 . 1 . . . B 161 A C2 . 25188 2 68 . 2 2 5 5 A C2' C 13 76.355 0.400 . 1 . . . B 161 A C2' . 25188 2 69 . 2 2 5 5 A C3' C 13 72.805 0.400 . 1 . . . B 161 A C3' . 25188 2 70 . 2 2 5 5 A C4' C 13 83.679 0.400 . 1 . . . B 161 A C4' . 25188 2 71 . 2 2 5 5 A C8 C 13 141.073 0.400 . 1 . . . B 161 A C8 . 25188 2 72 . 2 2 6 6 C H1' H 1 5.636 0.020 . 1 . . . B 162 C H1' . 25188 2 73 . 2 2 6 6 C H2' H 1 4.105 0.020 . 1 . . . B 162 C H2' . 25188 2 74 . 2 2 6 6 C H3' H 1 4.214 0.020 . 1 . . . B 162 C H3' . 25188 2 75 . 2 2 6 6 C H4' H 1 4.107 0.020 . 1 . . . B 162 C H4' . 25188 2 76 . 2 2 6 6 C H5 H 1 5.899 0.020 . 1 . . . B 162 C H5 . 25188 2 77 . 2 2 6 6 C H6 H 1 7.638 0.020 . 1 . . . B 162 C H6 . 25188 2 78 . 2 2 6 6 C C2' C 13 76.670 0.400 . 1 . . . B 162 C C2' . 25188 2 79 . 2 2 6 6 C C4' C 13 84.023 0.400 . 1 . . . B 162 C C4' . 25188 2 80 . 2 2 6 6 C C5 C 13 98.991 0.400 . 1 . . . B 162 C C5 . 25188 2 81 . 2 2 6 6 C C6 C 13 142.768 0.400 . 1 . . . B 162 C C6 . 25188 2 stop_ save_