data_51797 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51797 _Entry.Title ; Backbone assignment of the extended C-terminal domain of Tetrahymena telomerase protein p65 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-01-23 _Entry.Accession_date 2023-01-23 _Entry.Last_release_date 2023-01-23 _Entry.Original_release_date 2023-01-23 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Yuan Yang . . . . 51797 2 Catherine Eichhorn . . . . 51797 3 'Yi Xiao' Jiang . . . . 51797 4 Yaqiang Wang . . . . 51797 5 Juli Feigon . . . . 51797 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of California, Los Angeles' . 51797 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51797 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 212 51797 '15N chemical shifts' 124 51797 '1H chemical shifts' 124 51797 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 . . 2023-07-05 2023-01-23 update BMRB 'update entry citation' 51797 1 . . 2023-06-19 2023-01-23 original author 'original release' 51797 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18435 'Solution structure of the C-terminal domain of Tetrahymena telomerase protein p65' 51797 BMRB 51798 'Backbone assignment for N-terminal disordered domain of Tetrahymena telomerase protein p65' 51797 PDB 2LSL 'Solution structure of the C-terminal domain of Tetrahymena telomerase protein p65' 51797 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51797 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37330293 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structure of LARP7 Protein p65-telomerase RNA Complex in Telomerase Revealed by Cryo-EM and NMR ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 435 _Citation.Journal_issue 11 _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 168044 _Citation.Page_last 168044 _Citation.Year 2023 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Yaqiang Wang . . . . 51797 1 2 Yao He . . . . 51797 1 3 Yanjiao Wang . . . . 51797 1 4 Yuan Yang . . . . 51797 1 5 Mahavir Singh . . . . 51797 1 6 Catherine Eichhorn . . . . 51797 1 7 Xinyi Cheng . . . . 51797 1 8 'Yi Xiao' Jiang . . . . 51797 1 9 'Z. Hong' Zhou . . . . 51797 1 10 Juli Feigon . . . . 51797 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID LARP7 51797 1 Tetrahymena 51797 1 p65 51797 1 telomerase 51797 1 xRRM 51797 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51797 _Assembly.ID 1 _Assembly.Name 'p65 extended C-terminal domain monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 p65-aL-xRRM2 1 $entity_1 . . yes native no no . . . 51797 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51797 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GQKNKNMNQSRKASDEFVSI DVEIKQNCLIKIINIPQGTL KAEVVLAVRHLGYEFYCDYI DENSNQINSNLIQQDQHPQL NDLLKEGQAMIRFQNSDEQR LAIQKLLNHNNNKLQIEIRG QICDVISTIPEDEEKNYWNY IKFKKNEFRKFFFMKKQQKK QNITQNYNK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; 352, G 353, Q 420, S 443, N 542, K ; _Entity.Polymer_author_seq_details ; The first amino acid, 352 Glycine, is a non-native residue resulted from TEV protease cleavage site. There is a loop truncation between amino acids 420 and 443. ; _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 169 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _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 1 352 GLY . 51797 1 2 353 GLN . 51797 1 3 354 LYS . 51797 1 4 355 ASN . 51797 1 5 356 LYS . 51797 1 6 357 ASN . 51797 1 7 358 MET . 51797 1 8 359 ASN . 51797 1 9 360 GLN . 51797 1 10 361 SER . 51797 1 11 362 ARG . 51797 1 12 363 LYS . 51797 1 13 364 ALA . 51797 1 14 365 SER . 51797 1 15 366 ASP . 51797 1 16 367 GLU . 51797 1 17 368 PHE . 51797 1 18 369 VAL . 51797 1 19 370 SER . 51797 1 20 371 ILE . 51797 1 21 372 ASP . 51797 1 22 373 VAL . 51797 1 23 374 GLU . 51797 1 24 375 ILE . 51797 1 25 376 LYS . 51797 1 26 377 GLN . 51797 1 27 378 ASN . 51797 1 28 379 CYS . 51797 1 29 380 LEU . 51797 1 30 381 ILE . 51797 1 31 382 LYS . 51797 1 32 383 ILE . 51797 1 33 384 ILE . 51797 1 34 385 ASN . 51797 1 35 386 ILE . 51797 1 36 387 PRO . 51797 1 37 388 GLN . 51797 1 38 389 GLY . 51797 1 39 390 THR . 51797 1 40 391 LEU . 51797 1 41 392 LYS . 51797 1 42 393 ALA . 51797 1 43 394 GLU . 51797 1 44 395 VAL . 51797 1 45 396 VAL . 51797 1 46 397 LEU . 51797 1 47 398 ALA . 51797 1 48 399 VAL . 51797 1 49 400 ARG . 51797 1 50 401 HIS . 51797 1 51 402 LEU . 51797 1 52 403 GLY . 51797 1 53 404 TYR . 51797 1 54 405 GLU . 51797 1 55 406 PHE . 51797 1 56 407 TYR . 51797 1 57 408 CYS . 51797 1 58 409 ASP . 51797 1 59 410 TYR . 51797 1 60 411 ILE . 51797 1 61 412 ASP . 51797 1 62 413 GLU . 51797 1 63 414 ASN . 51797 1 64 415 SER . 51797 1 65 416 ASN . 51797 1 66 417 GLN . 51797 1 67 418 ILE . 51797 1 68 419 ASN . 51797 1 69 420 SER . 51797 1 70 443 ASN . 51797 1 71 444 LEU . 51797 1 72 445 ILE . 51797 1 73 446 GLN . 51797 1 74 447 GLN . 51797 1 75 448 ASP . 51797 1 76 449 GLN . 51797 1 77 450 HIS . 51797 1 78 451 PRO . 51797 1 79 452 GLN . 51797 1 80 453 LEU . 51797 1 81 454 ASN . 51797 1 82 455 ASP . 51797 1 83 456 LEU . 51797 1 84 457 LEU . 51797 1 85 458 LYS . 51797 1 86 459 GLU . 51797 1 87 460 GLY . 51797 1 88 461 GLN . 51797 1 89 462 ALA . 51797 1 90 463 MET . 51797 1 91 464 ILE . 51797 1 92 465 ARG . 51797 1 93 466 PHE . 51797 1 94 467 GLN . 51797 1 95 468 ASN . 51797 1 96 469 SER . 51797 1 97 470 ASP . 51797 1 98 471 GLU . 51797 1 99 472 GLN . 51797 1 100 473 ARG . 51797 1 101 474 LEU . 51797 1 102 475 ALA . 51797 1 103 476 ILE . 51797 1 104 477 GLN . 51797 1 105 478 LYS . 51797 1 106 479 LEU . 51797 1 107 480 LEU . 51797 1 108 481 ASN . 51797 1 109 482 HIS . 51797 1 110 483 ASN . 51797 1 111 484 ASN . 51797 1 112 485 ASN . 51797 1 113 486 LYS . 51797 1 114 487 LEU . 51797 1 115 488 GLN . 51797 1 116 489 ILE . 51797 1 117 490 GLU . 51797 1 118 491 ILE . 51797 1 119 492 ARG . 51797 1 120 493 GLY . 51797 1 121 494 GLN . 51797 1 122 495 ILE . 51797 1 123 496 CYS . 51797 1 124 497 ASP . 51797 1 125 498 VAL . 51797 1 126 499 ILE . 51797 1 127 500 SER . 51797 1 128 501 THR . 51797 1 129 502 ILE . 51797 1 130 503 PRO . 51797 1 131 504 GLU . 51797 1 132 505 ASP . 51797 1 133 506 GLU . 51797 1 134 507 GLU . 51797 1 135 508 LYS . 51797 1 136 509 ASN . 51797 1 137 510 TYR . 51797 1 138 511 TRP . 51797 1 139 512 ASN . 51797 1 140 513 TYR . 51797 1 141 514 ILE . 51797 1 142 515 LYS . 51797 1 143 516 PHE . 51797 1 144 517 LYS . 51797 1 145 518 LYS . 51797 1 146 519 ASN . 51797 1 147 520 GLU . 51797 1 148 521 PHE . 51797 1 149 522 ARG . 51797 1 150 523 LYS . 51797 1 151 524 PHE . 51797 1 152 525 PHE . 51797 1 153 526 PHE . 51797 1 154 527 MET . 51797 1 155 528 LYS . 51797 1 156 529 LYS . 51797 1 157 530 GLN . 51797 1 158 531 GLN . 51797 1 159 532 LYS . 51797 1 160 533 LYS . 51797 1 161 534 GLN . 51797 1 162 535 ASN . 51797 1 163 536 ILE . 51797 1 164 537 THR . 51797 1 165 538 GLN . 51797 1 166 539 ASN . 51797 1 167 540 TYR . 51797 1 168 541 ASN . 51797 1 169 542 LYS . 51797 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 . GLY 1 1 51797 1 . GLN 2 2 51797 1 . LYS 3 3 51797 1 . ASN 4 4 51797 1 . LYS 5 5 51797 1 . ASN 6 6 51797 1 . MET 7 7 51797 1 . ASN 8 8 51797 1 . GLN 9 9 51797 1 . SER 10 10 51797 1 . ARG 11 11 51797 1 . LYS 12 12 51797 1 . ALA 13 13 51797 1 . SER 14 14 51797 1 . ASP 15 15 51797 1 . GLU 16 16 51797 1 . PHE 17 17 51797 1 . VAL 18 18 51797 1 . SER 19 19 51797 1 . ILE 20 20 51797 1 . ASP 21 21 51797 1 . VAL 22 22 51797 1 . GLU 23 23 51797 1 . ILE 24 24 51797 1 . LYS 25 25 51797 1 . GLN 26 26 51797 1 . ASN 27 27 51797 1 . CYS 28 28 51797 1 . LEU 29 29 51797 1 . ILE 30 30 51797 1 . LYS 31 31 51797 1 . ILE 32 32 51797 1 . ILE 33 33 51797 1 . ASN 34 34 51797 1 . ILE 35 35 51797 1 . PRO 36 36 51797 1 . GLN 37 37 51797 1 . GLY 38 38 51797 1 . THR 39 39 51797 1 . LEU 40 40 51797 1 . LYS 41 41 51797 1 . ALA 42 42 51797 1 . GLU 43 43 51797 1 . VAL 44 44 51797 1 . VAL 45 45 51797 1 . LEU 46 46 51797 1 . ALA 47 47 51797 1 . VAL 48 48 51797 1 . ARG 49 49 51797 1 . HIS 50 50 51797 1 . LEU 51 51 51797 1 . GLY 52 52 51797 1 . TYR 53 53 51797 1 . GLU 54 54 51797 1 . PHE 55 55 51797 1 . TYR 56 56 51797 1 . CYS 57 57 51797 1 . ASP 58 58 51797 1 . TYR 59 59 51797 1 . ILE 60 60 51797 1 . ASP 61 61 51797 1 . GLU 62 62 51797 1 . ASN 63 63 51797 1 . SER 64 64 51797 1 . ASN 65 65 51797 1 . GLN 66 66 51797 1 . ILE 67 67 51797 1 . ASN 68 68 51797 1 . SER 69 69 51797 1 . ASN 70 70 51797 1 . LEU 71 71 51797 1 . ILE 72 72 51797 1 . GLN 73 73 51797 1 . GLN 74 74 51797 1 . ASP 75 75 51797 1 . GLN 76 76 51797 1 . HIS 77 77 51797 1 . PRO 78 78 51797 1 . GLN 79 79 51797 1 . LEU 80 80 51797 1 . ASN 81 81 51797 1 . ASP 82 82 51797 1 . LEU 83 83 51797 1 . LEU 84 84 51797 1 . LYS 85 85 51797 1 . GLU 86 86 51797 1 . GLY 87 87 51797 1 . GLN 88 88 51797 1 . ALA 89 89 51797 1 . MET 90 90 51797 1 . ILE 91 91 51797 1 . ARG 92 92 51797 1 . PHE 93 93 51797 1 . GLN 94 94 51797 1 . ASN 95 95 51797 1 . SER 96 96 51797 1 . ASP 97 97 51797 1 . GLU 98 98 51797 1 . GLN 99 99 51797 1 . ARG 100 100 51797 1 . LEU 101 101 51797 1 . ALA 102 102 51797 1 . ILE 103 103 51797 1 . GLN 104 104 51797 1 . LYS 105 105 51797 1 . LEU 106 106 51797 1 . LEU 107 107 51797 1 . ASN 108 108 51797 1 . HIS 109 109 51797 1 . ASN 110 110 51797 1 . ASN 111 111 51797 1 . ASN 112 112 51797 1 . LYS 113 113 51797 1 . LEU 114 114 51797 1 . GLN 115 115 51797 1 . ILE 116 116 51797 1 . GLU 117 117 51797 1 . ILE 118 118 51797 1 . ARG 119 119 51797 1 . GLY 120 120 51797 1 . GLN 121 121 51797 1 . ILE 122 122 51797 1 . CYS 123 123 51797 1 . ASP 124 124 51797 1 . VAL 125 125 51797 1 . ILE 126 126 51797 1 . SER 127 127 51797 1 . THR 128 128 51797 1 . ILE 129 129 51797 1 . PRO 130 130 51797 1 . GLU 131 131 51797 1 . ASP 132 132 51797 1 . GLU 133 133 51797 1 . GLU 134 134 51797 1 . LYS 135 135 51797 1 . ASN 136 136 51797 1 . TYR 137 137 51797 1 . TRP 138 138 51797 1 . ASN 139 139 51797 1 . TYR 140 140 51797 1 . ILE 141 141 51797 1 . LYS 142 142 51797 1 . PHE 143 143 51797 1 . LYS 144 144 51797 1 . LYS 145 145 51797 1 . ASN 146 146 51797 1 . GLU 147 147 51797 1 . PHE 148 148 51797 1 . ARG 149 149 51797 1 . LYS 150 150 51797 1 . PHE 151 151 51797 1 . PHE 152 152 51797 1 . PHE 153 153 51797 1 . MET 154 154 51797 1 . LYS 155 155 51797 1 . LYS 156 156 51797 1 . GLN 157 157 51797 1 . GLN 158 158 51797 1 . LYS 159 159 51797 1 . LYS 160 160 51797 1 . GLN 161 161 51797 1 . ASN 162 162 51797 1 . ILE 163 163 51797 1 . THR 164 164 51797 1 . GLN 165 165 51797 1 . ASN 166 166 51797 1 . TYR 167 167 51797 1 . ASN 168 168 51797 1 . LYS 169 169 51797 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51797 _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 . 5911 organism . 'Tetrahymena Thermophila' 'Tetrahymena Thermophila' . . Eukaryota . Tetrahymena Thermophila . . . . . . . . . . . . . 51797 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51797 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21-Gold(DE3) . . plasmid . . pETDUET . . . 51797 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51797 _Sample.ID 1 _Sample.Name 'extended C-terminal domain of Tetrahymena telomerase protein p65' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'extended C-terminal domain of Tetrahymena telomerase protein p65' '[U-98% 13C; U-98% 15N]' . . 1 $entity_1 . . 0.8 . . mM . . . . 51797 1 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 51797 1 3 D2O '[U-100% 2H]' . . . . . . 5 . . % . . . . 51797 1 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 51797 1 5 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 51797 1 6 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 51797 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 51797 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'condition 1' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 80 . mM 51797 1 pH 6.1 . pH 51797 1 pressure 1 . atm 51797 1 temperature 298.15 . K 51797 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51797 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version v3.5pl7 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51797 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51797 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51797 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51797 _Software.ID 3 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version v1.470 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 51797 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51797 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 600' _NMR_spectrometer.Details 'QCI HCNP cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51797 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51797 1 2 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51797 1 3 '3D CBCACONH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51797 1 4 '3D HNCA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51797 1 5 '3D C(CO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51797 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51797 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'by solvent' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 na protons . . . . ppm 4.771 na indirect 0.251449530 . . . . . 51797 1 H 1 water protons . . . . ppm 4.771 internal direct 1.000000000 . . . . . 51797 1 N 15 na protons . . . . ppm 4.771 na indirect 0.101329118 . . . . . 51797 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51797 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'extended C-terminal domain of Tetrahymena telomerase protein p65' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _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' . . . 51797 1 2 '3D HNCACB' . . . 51797 1 3 '3D CBCACONH' . . . 51797 1 4 '3D HNCA' . . . 51797 1 5 '3D C(CO)NH' . . . 51797 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $software_3 . . 51797 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 5 5 LYS CA C 13 56.611 0.089 . . . . . . . 356 K CA . 51797 1 2 . 1 . 1 5 5 LYS CB C 13 33.053 0.000 . . . . . . . 356 K CB . 51797 1 3 . 1 . 1 6 6 ASN H H 1 8.488 0.004 . . . . . . . 357 N H . 51797 1 4 . 1 . 1 6 6 ASN CA C 13 53.273 0.000 . . . . . . . 357 N CA . 51797 1 5 . 1 . 1 6 6 ASN CB C 13 38.938 0.000 . . . . . . . 357 N CB . 51797 1 6 . 1 . 1 6 6 ASN N N 15 119.573 0.079 . . . . . . . 357 N N . 51797 1 7 . 1 . 1 7 7 MET H H 1 8.376 0.000 . . . . . . . 358 M H . 51797 1 8 . 1 . 1 7 7 MET CA C 13 55.801 0.064 . . . . . . . 358 M CA . 51797 1 9 . 1 . 1 7 7 MET CB C 13 32.607 0.000 . . . . . . . 358 M CB . 51797 1 10 . 1 . 1 7 7 MET N N 15 122.090 0.003 . . . . . . . 358 M N . 51797 1 11 . 1 . 1 8 8 ASN H H 1 8.471 0.004 . . . . . . . 359 N H . 51797 1 12 . 1 . 1 8 8 ASN CA C 13 53.526 0.001 . . . . . . . 359 N CA . 51797 1 13 . 1 . 1 8 8 ASN CB C 13 38.767 0.056 . . . . . . . 359 N CB . 51797 1 14 . 1 . 1 8 8 ASN N N 15 119.603 0.044 . . . . . . . 359 N N . 51797 1 15 . 1 . 1 9 9 GLN H H 1 8.352 0.002 . . . . . . . 360 Q H . 51797 1 16 . 1 . 1 9 9 GLN CA C 13 56.032 0.109 . . . . . . . 360 Q CA . 51797 1 17 . 1 . 1 9 9 GLN CB C 13 29.526 0.089 . . . . . . . 360 Q CB . 51797 1 18 . 1 . 1 9 9 GLN N N 15 120.787 0.068 . . . . . . . 360 Q N . 51797 1 19 . 1 . 1 10 10 SER H H 1 8.354 0.003 . . . . . . . 361 S H . 51797 1 20 . 1 . 1 10 10 SER CA C 13 58.661 0.137 . . . . . . . 361 S CA . 51797 1 21 . 1 . 1 10 10 SER CB C 13 63.710 0.063 . . . . . . . 361 S CB . 51797 1 22 . 1 . 1 10 10 SER N N 15 116.998 0.051 . . . . . . . 361 S N . 51797 1 23 . 1 . 1 11 11 ARG H H 1 8.327 0.004 . . . . . . . 362 R H . 51797 1 24 . 1 . 1 11 11 ARG CA C 13 56.011 0.056 . . . . . . . 362 R CA . 51797 1 25 . 1 . 1 11 11 ARG CB C 13 30.886 0.032 . . . . . . . 362 R CB . 51797 1 26 . 1 . 1 11 11 ARG CD C 13 43.395 0.000 . . . . . . . 362 R CD . 51797 1 27 . 1 . 1 11 11 ARG N N 15 123.139 0.049 . . . . . . . 362 R N . 51797 1 28 . 1 . 1 12 12 LYS H H 1 8.392 0.002 . . . . . . . 363 K H . 51797 1 29 . 1 . 1 12 12 LYS CA C 13 56.165 0.083 . . . . . . . 363 K CA . 51797 1 30 . 1 . 1 12 12 LYS CB C 13 33.287 0.021 . . . . . . . 363 K CB . 51797 1 31 . 1 . 1 12 12 LYS N N 15 123.119 0.054 . . . . . . . 363 K N . 51797 1 32 . 1 . 1 13 13 ALA H H 1 8.477 0.002 . . . . . . . 364 A H . 51797 1 33 . 1 . 1 13 13 ALA CA C 13 52.962 0.091 . . . . . . . 364 A CA . 51797 1 34 . 1 . 1 13 13 ALA CB C 13 19.189 0.051 . . . . . . . 364 A CB . 51797 1 35 . 1 . 1 13 13 ALA N N 15 125.981 0.035 . . . . . . . 364 A N . 51797 1 36 . 1 . 1 14 14 SER H H 1 8.254 0.002 . . . . . . . 365 S H . 51797 1 37 . 1 . 1 14 14 SER CA C 13 58.668 0.090 . . . . . . . 365 S CA . 51797 1 38 . 1 . 1 14 14 SER CB C 13 63.684 0.078 . . . . . . . 365 S CB . 51797 1 39 . 1 . 1 14 14 SER N N 15 114.205 0.035 . . . . . . . 365 S N . 51797 1 40 . 1 . 1 15 15 ASP H H 1 8.240 0.002 . . . . . . . 366 D H . 51797 1 41 . 1 . 1 15 15 ASP CA C 13 54.701 0.127 . . . . . . . 366 D CA . 51797 1 42 . 1 . 1 15 15 ASP CB C 13 41.140 0.051 . . . . . . . 366 D CB . 51797 1 43 . 1 . 1 15 15 ASP N N 15 122.228 0.033 . . . . . . . 366 D N . 51797 1 44 . 1 . 1 16 16 GLU H H 1 8.169 0.002 . . . . . . . 367 E H . 51797 1 45 . 1 . 1 16 16 GLU CA C 13 56.954 0.024 . . . . . . . 367 E CA . 51797 1 46 . 1 . 1 16 16 GLU CB C 13 30.304 0.069 . . . . . . . 367 E CB . 51797 1 47 . 1 . 1 16 16 GLU N N 15 120.361 0.081 . . . . . . . 367 E N . 51797 1 48 . 1 . 1 17 17 PHE H H 1 8.160 0.003 . . . . . . . 368 F H . 51797 1 49 . 1 . 1 17 17 PHE CA C 13 57.753 0.025 . . . . . . . 368 F CA . 51797 1 50 . 1 . 1 17 17 PHE N N 15 120.376 0.086 . . . . . . . 368 F N . 51797 1 51 . 1 . 1 18 18 VAL H H 1 8.351 0.004 . . . . . . . 369 V H . 51797 1 52 . 1 . 1 18 18 VAL CA C 13 61.941 0.188 . . . . . . . 369 V CA . 51797 1 53 . 1 . 1 18 18 VAL CB C 13 32.813 0.136 . . . . . . . 369 V CB . 51797 1 54 . 1 . 1 18 18 VAL N N 15 120.879 0.154 . . . . . . . 369 V N . 51797 1 55 . 1 . 1 19 19 SER H H 1 8.234 0.003 . . . . . . . 370 S H . 51797 1 56 . 1 . 1 19 19 SER CA C 13 58.076 0.123 . . . . . . . 370 S CA . 51797 1 57 . 1 . 1 19 19 SER CB C 13 63.828 0.110 . . . . . . . 370 S CB . 51797 1 58 . 1 . 1 19 19 SER N N 15 119.187 0.047 . . . . . . . 370 S N . 51797 1 59 . 1 . 1 20 20 ILE H H 1 8.170 0.002 . . . . . . . 371 I H . 51797 1 60 . 1 . 1 20 20 ILE CA C 13 61.117 0.038 . . . . . . . 371 I CA . 51797 1 61 . 1 . 1 20 20 ILE CB C 13 39.034 0.098 . . . . . . . 371 I CB . 51797 1 62 . 1 . 1 20 20 ILE N N 15 122.166 0.079 . . . . . . . 371 I N . 51797 1 63 . 1 . 1 21 21 ASP H H 1 8.312 0.002 . . . . . . . 372 D H . 51797 1 64 . 1 . 1 21 21 ASP CA C 13 54.287 0.019 . . . . . . . 372 D CA . 51797 1 65 . 1 . 1 21 21 ASP CB C 13 41.410 0.000 . . . . . . . 372 D CB . 51797 1 66 . 1 . 1 21 21 ASP N N 15 123.982 0.072 . . . . . . . 372 D N . 51797 1 67 . 1 . 1 22 22 VAL CA C 13 61.700 0.125 . . . . . . . 373 V CA . 51797 1 68 . 1 . 1 22 22 VAL CB C 13 32.974 0.000 . . . . . . . 373 V CB . 51797 1 69 . 1 . 1 23 23 GLU H H 1 8.252 0.002 . . . . . . . 374 E H . 51797 1 70 . 1 . 1 23 23 GLU CA C 13 55.893 0.068 . . . . . . . 374 E CA . 51797 1 71 . 1 . 1 23 23 GLU CB C 13 30.268 0.131 . . . . . . . 374 E CB . 51797 1 72 . 1 . 1 23 23 GLU N N 15 124.833 0.077 . . . . . . . 374 E N . 51797 1 73 . 1 . 1 24 24 ILE H H 1 7.925 0.004 . . . . . . . 375 I H . 51797 1 74 . 1 . 1 24 24 ILE CA C 13 61.898 0.047 . . . . . . . 375 I CA . 51797 1 75 . 1 . 1 24 24 ILE CB C 13 38.091 0.000 . . . . . . . 375 I CB . 51797 1 76 . 1 . 1 24 24 ILE N N 15 122.904 0.070 . . . . . . . 375 I N . 51797 1 77 . 1 . 1 25 25 LYS H H 1 6.024 0.002 . . . . . . . 376 K H . 51797 1 78 . 1 . 1 25 25 LYS CA C 13 54.551 0.058 . . . . . . . 376 K CA . 51797 1 79 . 1 . 1 25 25 LYS CB C 13 33.671 0.000 . . . . . . . 376 K CB . 51797 1 80 . 1 . 1 25 25 LYS N N 15 126.143 0.003 . . . . . . . 376 K N . 51797 1 81 . 1 . 1 26 26 GLN H H 1 8.472 0.002 . . . . . . . 377 Q H . 51797 1 82 . 1 . 1 26 26 GLN CA C 13 56.480 0.080 . . . . . . . 377 Q CA . 51797 1 83 . 1 . 1 26 26 GLN CB C 13 30.240 0.000 . . . . . . . 377 Q CB . 51797 1 84 . 1 . 1 26 26 GLN N N 15 122.032 0.049 . . . . . . . 377 Q N . 51797 1 85 . 1 . 1 27 27 ASN H H 1 9.551 0.007 . . . . . . . 378 N H . 51797 1 86 . 1 . 1 27 27 ASN CA C 13 55.051 0.000 . . . . . . . 378 N CA . 51797 1 87 . 1 . 1 27 27 ASN N N 15 117.599 0.045 . . . . . . . 378 N N . 51797 1 88 . 1 . 1 28 28 CYS H H 1 8.451 0.001 . . . . . . . 379 C H . 51797 1 89 . 1 . 1 28 28 CYS CA C 13 59.942 0.000 . . . . . . . 379 C CA . 51797 1 90 . 1 . 1 28 28 CYS N N 15 109.213 0.008 . . . . . . . 379 C N . 51797 1 91 . 1 . 1 29 29 LEU CA C 13 54.226 0.000 . . . . . . . 380 L CA . 51797 1 92 . 1 . 1 30 30 ILE H H 1 8.752 0.003 . . . . . . . 381 I H . 51797 1 93 . 1 . 1 30 30 ILE CA C 13 61.474 0.059 . . . . . . . 381 I CA . 51797 1 94 . 1 . 1 30 30 ILE N N 15 111.825 0.047 . . . . . . . 381 I N . 51797 1 95 . 1 . 1 31 31 LYS H H 1 8.654 0.003 . . . . . . . 382 K H . 51797 1 96 . 1 . 1 31 31 LYS CA C 13 54.215 0.040 . . . . . . . 382 K CA . 51797 1 97 . 1 . 1 31 31 LYS N N 15 122.695 0.021 . . . . . . . 382 K N . 51797 1 98 . 1 . 1 32 32 ILE H H 1 9.235 0.001 . . . . . . . 383 I H . 51797 1 99 . 1 . 1 32 32 ILE CA C 13 60.370 0.037 . . . . . . . 383 I CA . 51797 1 100 . 1 . 1 32 32 ILE N N 15 126.826 0.034 . . . . . . . 383 I N . 51797 1 101 . 1 . 1 33 33 ILE H H 1 8.762 0.007 . . . . . . . 384 I H . 51797 1 102 . 1 . 1 33 33 ILE CA C 13 59.862 0.000 . . . . . . . 384 I CA . 51797 1 103 . 1 . 1 33 33 ILE N N 15 118.373 0.012 . . . . . . . 384 I N . 51797 1 104 . 1 . 1 34 34 ASN CA C 13 53.886 0.000 . . . . . . . 385 N CA . 51797 1 105 . 1 . 1 34 34 ASN CB C 13 36.879 0.000 . . . . . . . 385 N CB . 51797 1 106 . 1 . 1 35 35 ILE H H 1 9.156 0.006 . . . . . . . 386 I H . 51797 1 107 . 1 . 1 35 35 ILE CA C 13 60.772 0.000 . . . . . . . 386 I CA . 51797 1 108 . 1 . 1 35 35 ILE N N 15 122.201 0.030 . . . . . . . 386 I N . 51797 1 109 . 1 . 1 36 36 PRO CA C 13 63.181 0.051 . . . . . . . 387 P CA . 51797 1 110 . 1 . 1 36 36 PRO CB C 13 31.880 0.060 . . . . . . . 387 P CB . 51797 1 111 . 1 . 1 37 37 GLN H H 1 8.914 0.002 . . . . . . . 388 Q H . 51797 1 112 . 1 . 1 37 37 GLN CA C 13 57.742 0.118 . . . . . . . 388 Q CA . 51797 1 113 . 1 . 1 37 37 GLN CB C 13 28.434 0.000 . . . . . . . 388 Q CB . 51797 1 114 . 1 . 1 37 37 GLN N N 15 125.995 0.044 . . . . . . . 388 Q N . 51797 1 115 . 1 . 1 38 38 GLY H H 1 9.315 0.002 . . . . . . . 389 G H . 51797 1 116 . 1 . 1 38 38 GLY CA C 13 44.954 0.032 . . . . . . . 389 G CA . 51797 1 117 . 1 . 1 38 38 GLY N N 15 114.500 0.036 . . . . . . . 389 G N . 51797 1 118 . 1 . 1 39 39 THR H H 1 7.538 0.005 . . . . . . . 390 T H . 51797 1 119 . 1 . 1 39 39 THR CA C 13 64.578 0.048 . . . . . . . 390 T CA . 51797 1 120 . 1 . 1 39 39 THR N N 15 118.057 0.066 . . . . . . . 390 T N . 51797 1 121 . 1 . 1 40 40 LEU H H 1 9.493 0.002 . . . . . . . 391 L H . 51797 1 122 . 1 . 1 40 40 LEU CA C 13 54.398 0.015 . . . . . . . 391 L CA . 51797 1 123 . 1 . 1 40 40 LEU N N 15 131.934 0.024 . . . . . . . 391 L N . 51797 1 124 . 1 . 1 41 41 LYS H H 1 9.978 0.005 . . . . . . . 392 K H . 51797 1 125 . 1 . 1 41 41 LYS CA C 13 61.213 0.034 . . . . . . . 392 K CA . 51797 1 126 . 1 . 1 41 41 LYS N N 15 125.608 0.041 . . . . . . . 392 K N . 51797 1 127 . 1 . 1 42 42 ALA H H 1 8.792 0.002 . . . . . . . 393 A H . 51797 1 128 . 1 . 1 42 42 ALA CA C 13 55.260 0.011 . . . . . . . 393 A CA . 51797 1 129 . 1 . 1 42 42 ALA CB C 13 18.848 0.028 . . . . . . . 393 A CB . 51797 1 130 . 1 . 1 42 42 ALA N N 15 117.231 0.049 . . . . . . . 393 A N . 51797 1 131 . 1 . 1 43 43 GLU H H 1 7.460 0.005 . . . . . . . 394 E H . 51797 1 132 . 1 . 1 43 43 GLU CA C 13 58.918 0.034 . . . . . . . 394 E CA . 51797 1 133 . 1 . 1 43 43 GLU N N 15 115.465 0.045 . . . . . . . 394 E N . 51797 1 134 . 1 . 1 44 44 VAL H H 1 7.235 0.003 . . . . . . . 395 V H . 51797 1 135 . 1 . 1 44 44 VAL CA C 13 66.511 0.000 . . . . . . . 395 V CA . 51797 1 136 . 1 . 1 44 44 VAL N N 15 122.065 0.037 . . . . . . . 395 V N . 51797 1 137 . 1 . 1 45 45 VAL CA C 13 66.884 0.000 . . . . . . . 396 V CA . 51797 1 138 . 1 . 1 46 46 LEU H H 1 7.941 0.001 . . . . . . . 397 L H . 51797 1 139 . 1 . 1 46 46 LEU CA C 13 58.374 0.111 . . . . . . . 397 L CA . 51797 1 140 . 1 . 1 46 46 LEU CB C 13 42.036 0.000 . . . . . . . 397 L CB . 51797 1 141 . 1 . 1 46 46 LEU N N 15 119.074 0.006 . . . . . . . 397 L N . 51797 1 142 . 1 . 1 47 47 ALA H H 1 7.135 0.002 . . . . . . . 398 A H . 51797 1 143 . 1 . 1 47 47 ALA CA C 13 55.080 0.066 . . . . . . . 398 A CA . 51797 1 144 . 1 . 1 47 47 ALA CB C 13 18.761 0.000 . . . . . . . 398 A CB . 51797 1 145 . 1 . 1 47 47 ALA N N 15 118.985 0.033 . . . . . . . 398 A N . 51797 1 146 . 1 . 1 48 48 VAL H H 1 7.750 0.004 . . . . . . . 399 V H . 51797 1 147 . 1 . 1 48 48 VAL CA C 13 65.063 0.110 . . . . . . . 399 V CA . 51797 1 148 . 1 . 1 48 48 VAL N N 15 117.906 0.057 . . . . . . . 399 V N . 51797 1 149 . 1 . 1 49 49 ARG H H 1 9.054 0.001 . . . . . . . 400 R H . 51797 1 150 . 1 . 1 49 49 ARG CA C 13 59.432 0.027 . . . . . . . 400 R CA . 51797 1 151 . 1 . 1 49 49 ARG N N 15 124.184 0.037 . . . . . . . 400 R N . 51797 1 152 . 1 . 1 50 50 HIS H H 1 7.370 0.004 . . . . . . . 401 H H . 51797 1 153 . 1 . 1 50 50 HIS CA C 13 57.992 0.007 . . . . . . . 401 H CA . 51797 1 154 . 1 . 1 50 50 HIS N N 15 115.944 0.057 . . . . . . . 401 H N . 51797 1 155 . 1 . 1 51 51 LEU H H 1 7.953 0.001 . . . . . . . 402 L H . 51797 1 156 . 1 . 1 51 51 LEU CA C 13 56.648 0.017 . . . . . . . 402 L CA . 51797 1 157 . 1 . 1 51 51 LEU N N 15 116.469 0.032 . . . . . . . 402 L N . 51797 1 158 . 1 . 1 52 52 GLY H H 1 7.373 0.003 . . . . . . . 403 G H . 51797 1 159 . 1 . 1 52 52 GLY CA C 13 45.569 0.000 . . . . . . . 403 G CA . 51797 1 160 . 1 . 1 52 52 GLY N N 15 101.207 0.030 . . . . . . . 403 G N . 51797 1 161 . 1 . 1 53 53 TYR H H 1 8.164 0.000 . . . . . . . 404 Y H . 51797 1 162 . 1 . 1 53 53 TYR CA C 13 57.089 0.000 . . . . . . . 404 Y CA . 51797 1 163 . 1 . 1 53 53 TYR CB C 13 41.119 0.000 . . . . . . . 404 Y CB . 51797 1 164 . 1 . 1 53 53 TYR N N 15 119.139 0.000 . . . . . . . 404 Y N . 51797 1 165 . 1 . 1 54 54 GLU H H 1 9.710 0.003 . . . . . . . 405 E H . 51797 1 166 . 1 . 1 54 54 GLU CA C 13 57.184 0.007 . . . . . . . 405 E CA . 51797 1 167 . 1 . 1 54 54 GLU N N 15 124.935 0.033 . . . . . . . 405 E N . 51797 1 168 . 1 . 1 55 55 PHE H H 1 7.553 0.002 . . . . . . . 406 F H . 51797 1 169 . 1 . 1 55 55 PHE CA C 13 55.874 0.073 . . . . . . . 406 F CA . 51797 1 170 . 1 . 1 55 55 PHE CB C 13 40.621 0.000 . . . . . . . 406 F CB . 51797 1 171 . 1 . 1 55 55 PHE N N 15 115.709 0.011 . . . . . . . 406 F N . 51797 1 172 . 1 . 1 56 56 TYR H H 1 8.814 0.005 . . . . . . . 407 Y H . 51797 1 173 . 1 . 1 56 56 TYR CA C 13 56.533 0.000 . . . . . . . 407 Y CA . 51797 1 174 . 1 . 1 56 56 TYR N N 15 118.909 0.054 . . . . . . . 407 Y N . 51797 1 175 . 1 . 1 57 57 CYS H H 1 8.911 0.000 . . . . . . . 408 C H . 51797 1 176 . 1 . 1 57 57 CYS CA C 13 56.695 0.036 . . . . . . . 408 C CA . 51797 1 177 . 1 . 1 57 57 CYS N N 15 124.061 0.004 . . . . . . . 408 C N . 51797 1 178 . 1 . 1 58 58 ASP H H 1 9.076 0.003 . . . . . . . 409 D H . 51797 1 179 . 1 . 1 58 58 ASP CA C 13 53.888 0.000 . . . . . . . 409 D CA . 51797 1 180 . 1 . 1 58 58 ASP N N 15 129.402 0.040 . . . . . . . 409 D N . 51797 1 181 . 1 . 1 59 59 TYR CA C 13 57.080 0.000 . . . . . . . 410 Y CA . 51797 1 182 . 1 . 1 60 60 ILE H H 1 7.947 0.006 . . . . . . . 411 I H . 51797 1 183 . 1 . 1 60 60 ILE CA C 13 60.664 0.144 . . . . . . . 411 I CA . 51797 1 184 . 1 . 1 60 60 ILE CB C 13 37.304 0.000 . . . . . . . 411 I CB . 51797 1 185 . 1 . 1 60 60 ILE N N 15 128.945 0.026 . . . . . . . 411 I N . 51797 1 186 . 1 . 1 61 61 ASP H H 1 7.836 0.005 . . . . . . . 412 D H . 51797 1 187 . 1 . 1 61 61 ASP CA C 13 52.757 0.043 . . . . . . . 412 D CA . 51797 1 188 . 1 . 1 61 61 ASP CB C 13 42.482 0.184 . . . . . . . 412 D CB . 51797 1 189 . 1 . 1 61 61 ASP N N 15 125.383 0.077 . . . . . . . 412 D N . 51797 1 190 . 1 . 1 62 62 GLU H H 1 8.170 0.004 . . . . . . . 413 E H . 51797 1 191 . 1 . 1 62 62 GLU CA C 13 57.558 0.000 . . . . . . . 413 E CA . 51797 1 192 . 1 . 1 62 62 GLU N N 15 120.856 0.061 . . . . . . . 413 E N . 51797 1 193 . 1 . 1 63 63 ASN H H 1 8.587 0.003 . . . . . . . 414 N H . 51797 1 194 . 1 . 1 63 63 ASN CA C 13 53.948 0.091 . . . . . . . 414 N CA . 51797 1 195 . 1 . 1 63 63 ASN CB C 13 39.055 0.000 . . . . . . . 414 N CB . 51797 1 196 . 1 . 1 63 63 ASN N N 15 118.853 0.010 . . . . . . . 414 N N . 51797 1 197 . 1 . 1 64 64 SER H H 1 8.186 0.003 . . . . . . . 415 S H . 51797 1 198 . 1 . 1 64 64 SER CA C 13 59.449 0.018 . . . . . . . 415 S CA . 51797 1 199 . 1 . 1 64 64 SER CB C 13 63.693 0.000 . . . . . . . 415 S CB . 51797 1 200 . 1 . 1 64 64 SER N N 15 116.261 0.042 . . . . . . . 415 S N . 51797 1 201 . 1 . 1 65 65 ASN H H 1 8.375 0.002 . . . . . . . 416 N H . 51797 1 202 . 1 . 1 65 65 ASN CA C 13 53.659 0.008 . . . . . . . 416 N CA . 51797 1 203 . 1 . 1 65 65 ASN CB C 13 38.729 0.000 . . . . . . . 416 N CB . 51797 1 204 . 1 . 1 65 65 ASN N N 15 120.450 0.005 . . . . . . . 416 N N . 51797 1 205 . 1 . 1 66 66 GLN H H 1 8.247 0.003 . . . . . . . 417 Q H . 51797 1 206 . 1 . 1 66 66 GLN CA C 13 56.135 0.058 . . . . . . . 417 Q CA . 51797 1 207 . 1 . 1 66 66 GLN CB C 13 29.411 0.083 . . . . . . . 417 Q CB . 51797 1 208 . 1 . 1 66 66 GLN N N 15 120.400 0.066 . . . . . . . 417 Q N . 51797 1 209 . 1 . 1 67 67 ILE H H 1 8.116 0.003 . . . . . . . 418 I H . 51797 1 210 . 1 . 1 67 67 ILE CA C 13 61.483 0.080 . . . . . . . 418 I CA . 51797 1 211 . 1 . 1 67 67 ILE CB C 13 38.682 0.084 . . . . . . . 418 I CB . 51797 1 212 . 1 . 1 67 67 ILE N N 15 121.428 0.057 . . . . . . . 418 I N . 51797 1 213 . 1 . 1 68 68 ASN H H 1 8.486 0.002 . . . . . . . 419 N H . 51797 1 214 . 1 . 1 68 68 ASN CA C 13 53.342 0.088 . . . . . . . 419 N CA . 51797 1 215 . 1 . 1 68 68 ASN CB C 13 38.924 0.010 . . . . . . . 419 N CB . 51797 1 216 . 1 . 1 68 68 ASN N N 15 122.375 0.055 . . . . . . . 419 N N . 51797 1 217 . 1 . 1 69 69 SER H H 1 8.334 0.002 . . . . . . . 420 S H . 51797 1 218 . 1 . 1 69 69 SER CA C 13 59.037 0.024 . . . . . . . 420 S CA . 51797 1 219 . 1 . 1 69 69 SER CB C 13 63.570 0.000 . . . . . . . 420 S CB . 51797 1 220 . 1 . 1 69 69 SER N N 15 116.886 0.039 . . . . . . . 420 S N . 51797 1 221 . 1 . 1 70 70 ASN H H 1 8.455 0.004 . . . . . . . 443 N H . 51797 1 222 . 1 . 1 70 70 ASN CA C 13 53.689 0.016 . . . . . . . 443 N CA . 51797 1 223 . 1 . 1 70 70 ASN CB C 13 38.679 0.000 . . . . . . . 443 N CB . 51797 1 224 . 1 . 1 70 70 ASN N N 15 120.100 0.018 . . . . . . . 443 N N . 51797 1 225 . 1 . 1 71 71 LEU H H 1 7.979 0.005 . . . . . . . 444 L H . 51797 1 226 . 1 . 1 71 71 LEU CA C 13 55.575 0.033 . . . . . . . 444 L CA . 51797 1 227 . 1 . 1 71 71 LEU CB C 13 42.374 0.019 . . . . . . . 444 L CB . 51797 1 228 . 1 . 1 71 71 LEU CD1 C 13 25.018 0.000 . . . . . . . 444 L CD1 . 51797 1 229 . 1 . 1 71 71 LEU N N 15 121.070 0.108 . . . . . . . 444 L N . 51797 1 230 . 1 . 1 72 72 ILE H H 1 7.979 0.002 . . . . . . . 445 I H . 51797 1 231 . 1 . 1 72 72 ILE CA C 13 61.212 0.026 . . . . . . . 445 I CA . 51797 1 232 . 1 . 1 72 72 ILE CB C 13 38.588 0.026 . . . . . . . 445 I CB . 51797 1 233 . 1 . 1 72 72 ILE N N 15 120.724 0.068 . . . . . . . 445 I N . 51797 1 234 . 1 . 1 73 73 GLN H H 1 8.382 0.004 . . . . . . . 446 Q H . 51797 1 235 . 1 . 1 73 73 GLN CA C 13 56.085 0.000 . . . . . . . 446 Q CA . 51797 1 236 . 1 . 1 73 73 GLN CB C 13 29.447 0.000 . . . . . . . 446 Q CB . 51797 1 237 . 1 . 1 73 73 GLN N N 15 123.801 0.058 . . . . . . . 446 Q N . 51797 1 238 . 1 . 1 74 74 GLN CA C 13 56.394 0.000 . . . . . . . 447 Q CA . 51797 1 239 . 1 . 1 75 75 ASP H H 1 8.320 0.003 . . . . . . . 448 D H . 51797 1 240 . 1 . 1 75 75 ASP CA C 13 54.468 0.028 . . . . . . . 448 D CA . 51797 1 241 . 1 . 1 75 75 ASP CB C 13 41.217 0.000 . . . . . . . 448 D CB . 51797 1 242 . 1 . 1 75 75 ASP N N 15 120.411 0.061 . . . . . . . 448 D N . 51797 1 243 . 1 . 1 78 78 PRO CA C 13 63.406 0.157 . . . . . . . 451 P CA . 51797 1 244 . 1 . 1 78 78 PRO CB C 13 32.277 0.000 . . . . . . . 451 P CB . 51797 1 245 . 1 . 1 79 79 GLN H H 1 8.771 0.006 . . . . . . . 452 Q H . 51797 1 246 . 1 . 1 79 79 GLN CA C 13 54.492 0.000 . . . . . . . 452 Q CA . 51797 1 247 . 1 . 1 79 79 GLN N N 15 120.300 0.035 . . . . . . . 452 Q N . 51797 1 248 . 1 . 1 80 80 LEU H H 1 7.952 0.000 . . . . . . . 453 L H . 51797 1 249 . 1 . 1 80 80 LEU N N 15 119.893 0.000 . . . . . . . 453 L N . 51797 1 250 . 1 . 1 81 81 ASN H H 1 8.331 0.000 . . . . . . . 454 N H . 51797 1 251 . 1 . 1 81 81 ASN CA C 13 54.451 0.015 . . . . . . . 454 N CA . 51797 1 252 . 1 . 1 81 81 ASN N N 15 113.606 0.069 . . . . . . . 454 N N . 51797 1 253 . 1 . 1 82 82 ASP H H 1 7.618 0.003 . . . . . . . 455 D H . 51797 1 254 . 1 . 1 82 82 ASP CA C 13 55.795 0.006 . . . . . . . 455 D CA . 51797 1 255 . 1 . 1 82 82 ASP CB C 13 41.178 0.000 . . . . . . . 455 D CB . 51797 1 256 . 1 . 1 82 82 ASP N N 15 116.934 0.031 . . . . . . . 455 D N . 51797 1 257 . 1 . 1 83 83 LEU H H 1 7.596 0.003 . . . . . . . 456 L H . 51797 1 258 . 1 . 1 83 83 LEU CA C 13 55.848 0.000 . . . . . . . 456 L CA . 51797 1 259 . 1 . 1 83 83 LEU N N 15 118.675 0.088 . . . . . . . 456 L N . 51797 1 260 . 1 . 1 85 85 LYS H H 1 7.412 0.003 . . . . . . . 458 K H . 51797 1 261 . 1 . 1 85 85 LYS CA C 13 53.525 0.000 . . . . . . . 458 K CA . 51797 1 262 . 1 . 1 85 85 LYS N N 15 119.548 0.028 . . . . . . . 458 K N . 51797 1 263 . 1 . 1 86 86 GLU H H 1 8.317 0.004 . . . . . . . 459 E H . 51797 1 264 . 1 . 1 86 86 GLU CA C 13 58.008 0.013 . . . . . . . 459 E CA . 51797 1 265 . 1 . 1 86 86 GLU CB C 13 29.362 0.000 . . . . . . . 459 E CB . 51797 1 266 . 1 . 1 86 86 GLU N N 15 118.642 0.007 . . . . . . . 459 E N . 51797 1 267 . 1 . 1 87 87 GLY H H 1 9.081 0.002 . . . . . . . 460 G H . 51797 1 268 . 1 . 1 87 87 GLY CA C 13 46.452 0.018 . . . . . . . 460 G CA . 51797 1 269 . 1 . 1 87 87 GLY N N 15 112.497 0.020 . . . . . . . 460 G N . 51797 1 270 . 1 . 1 88 88 GLN H H 1 7.543 0.002 . . . . . . . 461 Q H . 51797 1 271 . 1 . 1 88 88 GLN CA C 13 53.308 0.022 . . . . . . . 461 Q CA . 51797 1 272 . 1 . 1 88 88 GLN N N 15 114.292 0.040 . . . . . . . 461 Q N . 51797 1 273 . 1 . 1 89 89 ALA H H 1 9.351 0.005 . . . . . . . 462 A H . 51797 1 274 . 1 . 1 89 89 ALA CA C 13 50.117 0.018 . . . . . . . 462 A CA . 51797 1 275 . 1 . 1 89 89 ALA CB C 13 23.775 0.000 . . . . . . . 462 A CB . 51797 1 276 . 1 . 1 89 89 ALA N N 15 121.638 0.028 . . . . . . . 462 A N . 51797 1 277 . 1 . 1 90 90 MET H H 1 9.003 0.003 . . . . . . . 463 M H . 51797 1 278 . 1 . 1 90 90 MET CA C 13 53.791 0.030 . . . . . . . 463 M CA . 51797 1 279 . 1 . 1 90 90 MET N N 15 121.724 0.054 . . . . . . . 463 M N . 51797 1 280 . 1 . 1 91 91 ILE H H 1 9.051 0.003 . . . . . . . 464 I H . 51797 1 281 . 1 . 1 91 91 ILE CA C 13 57.332 0.036 . . . . . . . 464 I CA . 51797 1 282 . 1 . 1 91 91 ILE N N 15 128.842 0.046 . . . . . . . 464 I N . 51797 1 283 . 1 . 1 92 92 ARG H H 1 8.711 0.003 . . . . . . . 465 R H . 51797 1 284 . 1 . 1 92 92 ARG CA C 13 54.106 0.046 . . . . . . . 465 R CA . 51797 1 285 . 1 . 1 92 92 ARG N N 15 126.079 0.046 . . . . . . . 465 R N . 51797 1 286 . 1 . 1 93 93 PHE H H 1 9.109 0.006 . . . . . . . 466 F H . 51797 1 287 . 1 . 1 93 93 PHE CA C 13 58.851 0.000 . . . . . . . 466 F CA . 51797 1 288 . 1 . 1 93 93 PHE N N 15 125.855 0.029 . . . . . . . 466 F N . 51797 1 289 . 1 . 1 94 94 GLN H H 1 10.399 0.003 . . . . . . . 467 Q H . 51797 1 290 . 1 . 1 94 94 GLN CA C 13 58.679 0.100 . . . . . . . 467 Q CA . 51797 1 291 . 1 . 1 94 94 GLN N N 15 118.095 0.001 . . . . . . . 467 Q N . 51797 1 292 . 1 . 1 95 95 ASN H H 1 7.706 0.003 . . . . . . . 468 N H . 51797 1 293 . 1 . 1 95 95 ASN CA C 13 52.682 0.072 . . . . . . . 468 N CA . 51797 1 294 . 1 . 1 95 95 ASN CB C 13 40.183 0.017 . . . . . . . 468 N CB . 51797 1 295 . 1 . 1 95 95 ASN N N 15 107.756 0.051 . . . . . . . 468 N N . 51797 1 296 . 1 . 1 96 96 SER H H 1 9.050 0.003 . . . . . . . 469 S H . 51797 1 297 . 1 . 1 96 96 SER CA C 13 60.184 0.103 . . . . . . . 469 S CA . 51797 1 298 . 1 . 1 96 96 SER N N 15 115.475 0.038 . . . . . . . 469 S N . 51797 1 299 . 1 . 1 97 97 ASP H H 1 8.174 0.004 . . . . . . . 470 D H . 51797 1 300 . 1 . 1 97 97 ASP CA C 13 57.677 0.000 . . . . . . . 470 D CA . 51797 1 301 . 1 . 1 97 97 ASP N N 15 124.176 0.064 . . . . . . . 470 D N . 51797 1 302 . 1 . 1 98 98 GLU CA C 13 59.735 0.000 . . . . . . . 471 E CA . 51797 1 303 . 1 . 1 99 99 GLN H H 1 7.363 0.005 . . . . . . . 472 Q H . 51797 1 304 . 1 . 1 99 99 GLN CA C 13 60.794 0.037 . . . . . . . 472 Q CA . 51797 1 305 . 1 . 1 99 99 GLN N N 15 119.841 0.039 . . . . . . . 472 Q N . 51797 1 306 . 1 . 1 100 100 ARG H H 1 7.630 0.004 . . . . . . . 473 R H . 51797 1 307 . 1 . 1 100 100 ARG CA C 13 59.572 0.000 . . . . . . . 473 R CA . 51797 1 308 . 1 . 1 100 100 ARG N N 15 117.309 0.028 . . . . . . . 473 R N . 51797 1 309 . 1 . 1 101 101 LEU H H 1 7.647 0.002 . . . . . . . 474 L H . 51797 1 310 . 1 . 1 101 101 LEU CA C 13 57.720 0.000 . . . . . . . 474 L CA . 51797 1 311 . 1 . 1 101 101 LEU N N 15 120.964 0.020 . . . . . . . 474 L N . 51797 1 312 . 1 . 1 102 102 ALA H H 1 8.164 0.003 . . . . . . . 475 A H . 51797 1 313 . 1 . 1 102 102 ALA CA C 13 55.983 0.103 . . . . . . . 475 A CA . 51797 1 314 . 1 . 1 102 102 ALA N N 15 123.736 0.024 . . . . . . . 475 A N . 51797 1 315 . 1 . 1 103 103 ILE H H 1 7.894 0.002 . . . . . . . 476 I H . 51797 1 316 . 1 . 1 103 103 ILE CA C 13 64.840 0.000 . . . . . . . 476 I CA . 51797 1 317 . 1 . 1 103 103 ILE N N 15 115.661 0.004 . . . . . . . 476 I N . 51797 1 318 . 1 . 1 104 104 GLN H H 1 7.773 0.013 . . . . . . . 477 Q H . 51797 1 319 . 1 . 1 104 104 GLN CA C 13 58.992 0.000 . . . . . . . 477 Q CA . 51797 1 320 . 1 . 1 104 104 GLN N N 15 118.477 0.115 . . . . . . . 477 Q N . 51797 1 321 . 1 . 1 107 107 LEU H H 1 8.700 0.000 . . . . . . . 480 L H . 51797 1 322 . 1 . 1 107 107 LEU N N 15 113.668 0.000 . . . . . . . 480 L N . 51797 1 323 . 1 . 1 111 111 ASN H H 1 8.497 0.000 . . . . . . . 484 N H . 51797 1 324 . 1 . 1 111 111 ASN CA C 13 54.223 0.000 . . . . . . . 484 N CA . 51797 1 325 . 1 . 1 111 111 ASN N N 15 113.288 0.000 . . . . . . . 484 N N . 51797 1 326 . 1 . 1 116 116 ILE CA C 13 59.733 0.000 . . . . . . . 489 I CA . 51797 1 327 . 1 . 1 117 117 GLU H H 1 8.507 0.003 . . . . . . . 490 E H . 51797 1 328 . 1 . 1 117 117 GLU CA C 13 55.342 0.012 . . . . . . . 490 E CA . 51797 1 329 . 1 . 1 117 117 GLU N N 15 129.188 0.042 . . . . . . . 490 E N . 51797 1 330 . 1 . 1 118 118 ILE H H 1 8.888 0.002 . . . . . . . 491 I H . 51797 1 331 . 1 . 1 118 118 ILE CA C 13 61.207 0.006 . . . . . . . 491 I CA . 51797 1 332 . 1 . 1 118 118 ILE N N 15 126.265 0.034 . . . . . . . 491 I N . 51797 1 333 . 1 . 1 119 119 ARG H H 1 9.114 0.003 . . . . . . . 492 R H . 51797 1 334 . 1 . 1 119 119 ARG CA C 13 57.112 0.062 . . . . . . . 492 R CA . 51797 1 335 . 1 . 1 119 119 ARG CB C 13 27.908 0.000 . . . . . . . 492 R CB . 51797 1 336 . 1 . 1 119 119 ARG N N 15 126.853 0.041 . . . . . . . 492 R N . 51797 1 337 . 1 . 1 120 120 GLY H H 1 8.699 0.005 . . . . . . . 493 G H . 51797 1 338 . 1 . 1 120 120 GLY CA C 13 45.623 0.085 . . . . . . . 493 G CA . 51797 1 339 . 1 . 1 120 120 GLY N N 15 103.546 0.054 . . . . . . . 493 G N . 51797 1 340 . 1 . 1 121 121 GLN H H 1 7.960 0.003 . . . . . . . 494 Q H . 51797 1 341 . 1 . 1 121 121 GLN CA C 13 53.639 0.098 . . . . . . . 494 Q CA . 51797 1 342 . 1 . 1 121 121 GLN CB C 13 31.164 0.000 . . . . . . . 494 Q CB . 51797 1 343 . 1 . 1 121 121 GLN N N 15 120.583 0.055 . . . . . . . 494 Q N . 51797 1 344 . 1 . 1 122 122 ILE H H 1 8.713 0.003 . . . . . . . 495 I H . 51797 1 345 . 1 . 1 122 122 ILE CA C 13 61.303 0.026 . . . . . . . 495 I CA . 51797 1 346 . 1 . 1 122 122 ILE N N 15 124.255 0.056 . . . . . . . 495 I N . 51797 1 347 . 1 . 1 123 123 CYS H H 1 9.213 0.005 . . . . . . . 496 C H . 51797 1 348 . 1 . 1 123 123 CYS CA C 13 58.316 0.017 . . . . . . . 496 C CA . 51797 1 349 . 1 . 1 123 123 CYS CB C 13 28.825 0.000 . . . . . . . 496 C CB . 51797 1 350 . 1 . 1 123 123 CYS N N 15 129.913 0.012 . . . . . . . 496 C N . 51797 1 351 . 1 . 1 124 124 ASP H H 1 7.598 0.003 . . . . . . . 497 D H . 51797 1 352 . 1 . 1 124 124 ASP CA C 13 55.542 0.000 . . . . . . . 497 D CA . 51797 1 353 . 1 . 1 124 124 ASP CB C 13 42.799 0.000 . . . . . . . 497 D CB . 51797 1 354 . 1 . 1 124 124 ASP N N 15 123.011 0.064 . . . . . . . 497 D N . 51797 1 355 . 1 . 1 125 125 VAL H H 1 7.620 0.001 . . . . . . . 498 V H . 51797 1 356 . 1 . 1 125 125 VAL CA C 13 60.680 0.015 . . . . . . . 498 V CA . 51797 1 357 . 1 . 1 125 125 VAL N N 15 118.940 0.051 . . . . . . . 498 V N . 51797 1 358 . 1 . 1 126 126 ILE H H 1 9.539 0.002 . . . . . . . 499 I H . 51797 1 359 . 1 . 1 126 126 ILE CA C 13 59.822 0.002 . . . . . . . 499 I CA . 51797 1 360 . 1 . 1 126 126 ILE N N 15 128.010 0.017 . . . . . . . 499 I N . 51797 1 361 . 1 . 1 127 127 SER H H 1 8.787 0.004 . . . . . . . 500 S H . 51797 1 362 . 1 . 1 127 127 SER CA C 13 58.331 0.094 . . . . . . . 500 S CA . 51797 1 363 . 1 . 1 127 127 SER CB C 13 64.651 0.000 . . . . . . . 500 S CB . 51797 1 364 . 1 . 1 127 127 SER N N 15 119.409 0.043 . . . . . . . 500 S N . 51797 1 365 . 1 . 1 128 128 THR H H 1 7.413 0.004 . . . . . . . 501 T H . 51797 1 366 . 1 . 1 128 128 THR CA C 13 60.432 0.008 . . . . . . . 501 T CA . 51797 1 367 . 1 . 1 128 128 THR CB C 13 69.180 0.000 . . . . . . . 501 T CB . 51797 1 368 . 1 . 1 128 128 THR N N 15 117.963 0.033 . . . . . . . 501 T N . 51797 1 369 . 1 . 1 129 129 ILE H H 1 8.532 0.005 . . . . . . . 502 I H . 51797 1 370 . 1 . 1 129 129 ILE CA C 13 56.858 0.085 . . . . . . . 502 I CA . 51797 1 371 . 1 . 1 129 129 ILE CB C 13 37.439 0.000 . . . . . . . 502 I CB . 51797 1 372 . 1 . 1 129 129 ILE N N 15 127.877 0.061 . . . . . . . 502 I N . 51797 1 373 . 1 . 1 130 130 PRO CA C 13 63.279 0.082 . . . . . . . 503 P CA . 51797 1 374 . 1 . 1 130 130 PRO CB C 13 32.999 0.000 . . . . . . . 503 P CB . 51797 1 375 . 1 . 1 131 131 GLU H H 1 8.905 0.003 . . . . . . . 504 E H . 51797 1 376 . 1 . 1 131 131 GLU CA C 13 60.430 0.050 . . . . . . . 504 E CA . 51797 1 377 . 1 . 1 131 131 GLU CB C 13 29.948 0.021 . . . . . . . 504 E CB . 51797 1 378 . 1 . 1 131 131 GLU N N 15 123.250 0.034 . . . . . . . 504 E N . 51797 1 379 . 1 . 1 132 132 ASP H H 1 9.007 0.002 . . . . . . . 505 D H . 51797 1 380 . 1 . 1 132 132 ASP CA C 13 57.204 0.041 . . . . . . . 505 D CA . 51797 1 381 . 1 . 1 132 132 ASP CB C 13 39.486 0.000 . . . . . . . 505 D CB . 51797 1 382 . 1 . 1 132 132 ASP N N 15 117.570 0.039 . . . . . . . 505 D N . 51797 1 383 . 1 . 1 133 133 GLU H H 1 7.209 0.002 . . . . . . . 506 E H . 51797 1 384 . 1 . 1 133 133 GLU CA C 13 59.359 0.064 . . . . . . . 506 E CA . 51797 1 385 . 1 . 1 133 133 GLU N N 15 121.998 0.028 . . . . . . . 506 E N . 51797 1 386 . 1 . 1 134 134 GLU H H 1 8.553 0.004 . . . . . . . 507 E H . 51797 1 387 . 1 . 1 134 134 GLU CA C 13 60.739 0.054 . . . . . . . 507 E CA . 51797 1 388 . 1 . 1 134 134 GLU N N 15 121.228 0.120 . . . . . . . 507 E N . 51797 1 389 . 1 . 1 135 135 LYS H H 1 8.415 0.000 . . . . . . . 508 K H . 51797 1 390 . 1 . 1 135 135 LYS CA C 13 60.260 0.062 . . . . . . . 508 K CA . 51797 1 391 . 1 . 1 135 135 LYS N N 15 118.782 0.036 . . . . . . . 508 K N . 51797 1 392 . 1 . 1 136 136 ASN H H 1 8.189 0.002 . . . . . . . 509 N H . 51797 1 393 . 1 . 1 136 136 ASN CA C 13 55.918 0.056 . . . . . . . 509 N CA . 51797 1 394 . 1 . 1 136 136 ASN N N 15 117.609 0.009 . . . . . . . 509 N N . 51797 1 395 . 1 . 1 137 137 TYR H H 1 8.627 0.002 . . . . . . . 510 Y H . 51797 1 396 . 1 . 1 137 137 TYR CA C 13 62.554 0.000 . . . . . . . 510 Y CA . 51797 1 397 . 1 . 1 137 137 TYR N N 15 123.304 0.033 . . . . . . . 510 Y N . 51797 1 398 . 1 . 1 138 138 TRP HE1 H 1 10.775 0.000 . . . . . . . 511 W HE1 . 51797 1 399 . 1 . 1 138 138 TRP NE1 N 15 129.266 0.000 . . . . . . . 511 W NE1 . 51797 1 400 . 1 . 1 153 153 PHE CA C 13 58.687 0.000 . . . . . . . 526 F CA . 51797 1 401 . 1 . 1 153 153 PHE CB C 13 39.201 0.000 . . . . . . . 526 F CB . 51797 1 402 . 1 . 1 154 154 MET H H 1 8.057 0.003 . . . . . . . 527 M H . 51797 1 403 . 1 . 1 154 154 MET CA C 13 56.305 0.008 . . . . . . . 527 M CA . 51797 1 404 . 1 . 1 154 154 MET CB C 13 32.748 0.000 . . . . . . . 527 M CB . 51797 1 405 . 1 . 1 154 154 MET N N 15 120.777 0.080 . . . . . . . 527 M N . 51797 1 406 . 1 . 1 155 155 LYS H H 1 8.099 0.002 . . . . . . . 528 K H . 51797 1 407 . 1 . 1 155 155 LYS CA C 13 56.855 0.048 . . . . . . . 528 K CA . 51797 1 408 . 1 . 1 155 155 LYS CB C 13 32.856 0.000 . . . . . . . 528 K CB . 51797 1 409 . 1 . 1 155 155 LYS N N 15 121.819 0.065 . . . . . . . 528 K N . 51797 1 410 . 1 . 1 156 156 LYS H H 1 8.136 0.002 . . . . . . . 529 K H . 51797 1 411 . 1 . 1 156 156 LYS CA C 13 56.806 0.079 . . . . . . . 529 K CA . 51797 1 412 . 1 . 1 156 156 LYS CB C 13 32.904 0.021 . . . . . . . 529 K CB . 51797 1 413 . 1 . 1 156 156 LYS N N 15 121.779 0.049 . . . . . . . 529 K N . 51797 1 414 . 1 . 1 157 157 GLN H H 1 8.270 0.004 . . . . . . . 530 Q H . 51797 1 415 . 1 . 1 157 157 GLN CA C 13 56.105 0.000 . . . . . . . 530 Q CA . 51797 1 416 . 1 . 1 157 157 GLN CB C 13 29.512 0.000 . . . . . . . 530 Q CB . 51797 1 417 . 1 . 1 157 157 GLN N N 15 120.993 0.065 . . . . . . . 530 Q N . 51797 1 418 . 1 . 1 158 158 GLN CA C 13 55.935 0.062 . . . . . . . 531 Q CA . 51797 1 419 . 1 . 1 158 158 GLN CB C 13 29.859 0.004 . . . . . . . 531 Q CB . 51797 1 420 . 1 . 1 159 159 LYS H H 1 8.586 0.002 . . . . . . . 532 K H . 51797 1 421 . 1 . 1 159 159 LYS CA C 13 56.477 0.175 . . . . . . . 532 K CA . 51797 1 422 . 1 . 1 159 159 LYS CB C 13 33.141 0.016 . . . . . . . 532 K CB . 51797 1 423 . 1 . 1 159 159 LYS N N 15 123.080 0.029 . . . . . . . 532 K N . 51797 1 424 . 1 . 1 160 160 LYS H H 1 8.354 0.007 . . . . . . . 533 K H . 51797 1 425 . 1 . 1 160 160 LYS CA C 13 56.321 0.138 . . . . . . . 533 K CA . 51797 1 426 . 1 . 1 160 160 LYS CB C 13 33.112 0.028 . . . . . . . 533 K CB . 51797 1 427 . 1 . 1 160 160 LYS CD C 13 29.141 0.000 . . . . . . . 533 K CD . 51797 1 428 . 1 . 1 160 160 LYS N N 15 122.940 0.057 . . . . . . . 533 K N . 51797 1 429 . 1 . 1 161 161 GLN H H 1 8.437 0.002 . . . . . . . 534 Q H . 51797 1 430 . 1 . 1 161 161 GLN CA C 13 55.832 0.083 . . . . . . . 534 Q CA . 51797 1 431 . 1 . 1 161 161 GLN CB C 13 29.596 0.096 . . . . . . . 534 Q CB . 51797 1 432 . 1 . 1 161 161 GLN N N 15 121.566 0.065 . . . . . . . 534 Q N . 51797 1 433 . 1 . 1 162 162 ASN H H 1 8.365 0.004 . . . . . . . 535 N H . 51797 1 434 . 1 . 1 162 162 ASN CA C 13 53.294 0.175 . . . . . . . 535 N CA . 51797 1 435 . 1 . 1 162 162 ASN CB C 13 38.957 0.034 . . . . . . . 535 N CB . 51797 1 436 . 1 . 1 162 162 ASN N N 15 119.852 0.064 . . . . . . . 535 N N . 51797 1 437 . 1 . 1 163 163 ILE H H 1 8.169 0.003 . . . . . . . 536 I H . 51797 1 438 . 1 . 1 163 163 ILE CA C 13 61.335 0.049 . . . . . . . 536 I CA . 51797 1 439 . 1 . 1 163 163 ILE CB C 13 38.816 0.059 . . . . . . . 536 I CB . 51797 1 440 . 1 . 1 163 163 ILE N N 15 120.925 0.105 . . . . . . . 536 I N . 51797 1 441 . 1 . 1 164 164 THR H H 1 8.230 0.002 . . . . . . . 537 T H . 51797 1 442 . 1 . 1 164 164 THR CA C 13 62.040 0.088 . . . . . . . 537 T CA . 51797 1 443 . 1 . 1 164 164 THR CB C 13 69.771 0.083 . . . . . . . 537 T CB . 51797 1 444 . 1 . 1 164 164 THR N N 15 118.250 0.038 . . . . . . . 537 T N . 51797 1 445 . 1 . 1 165 165 GLN H H 1 8.336 0.003 . . . . . . . 538 Q H . 51797 1 446 . 1 . 1 165 165 GLN CA C 13 55.851 0.040 . . . . . . . 538 Q CA . 51797 1 447 . 1 . 1 165 165 GLN CB C 13 29.753 0.100 . . . . . . . 538 Q CB . 51797 1 448 . 1 . 1 165 165 GLN N N 15 122.679 0.047 . . . . . . . 538 Q N . 51797 1 449 . 1 . 1 166 166 ASN H H 1 8.546 0.000 . . . . . . . 539 N H . 51797 1 450 . 1 . 1 166 166 ASN CA C 13 53.367 0.044 . . . . . . . 539 N CA . 51797 1 451 . 1 . 1 166 166 ASN CB C 13 38.857 0.000 . . . . . . . 539 N CB . 51797 1 452 . 1 . 1 166 166 ASN N N 15 120.510 0.037 . . . . . . . 539 N N . 51797 1 453 . 1 . 1 168 168 ASN H H 1 8.169 0.001 . . . . . . . 541 N H . 51797 1 454 . 1 . 1 168 168 ASN CA C 13 53.401 0.038 . . . . . . . 541 N CA . 51797 1 455 . 1 . 1 168 168 ASN CB C 13 38.986 0.090 . . . . . . . 541 N CB . 51797 1 456 . 1 . 1 168 168 ASN N N 15 121.051 0.112 . . . . . . . 541 N N . 51797 1 457 . 1 . 1 169 169 LYS H H 1 7.764 0.003 . . . . . . . 542 K H . 51797 1 458 . 1 . 1 169 169 LYS CA C 13 57.805 0.008 . . . . . . . 542 K CA . 51797 1 459 . 1 . 1 169 169 LYS CB C 13 33.737 0.000 . . . . . . . 542 K CB . 51797 1 460 . 1 . 1 169 169 LYS N N 15 126.433 0.035 . . . . . . . 542 K N . 51797 1 stop_ save_