data_7161 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7161 _Entry.Title ; Backbone 1H, 13C and 15N Chemical Shift Assignments of Ezrin C ERMAD in a non-covalent complex with Ezrin N FERM ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-06-07 _Entry.Accession_date 2006-06-07 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Bhargavi Jayaraman . . . 7161 2 Linda Nicholson . K. . 7161 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7161 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 293 7161 '15N chemical shifts' 102 7161 '1H chemical shifts' 102 7161 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 . . 2007-02-09 2006-06-07 update BMRB 'complete entry citation' 7161 1 . . 2006-10-02 2006-06-07 original author 'original release' 7161 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7161 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17131035 _Citation.Full_citation . _Citation.Title 'Backbone Resonance Assignments of Ezrin C ERMAD in a non-covalent complex with Ezrin N FERM' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 36 _Citation.Journal_issue 'Suppl. 5' _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 63 _Citation.Page_last 63 _Citation.Year 2006 _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 Bhargavi Jayaraman . . . 7161 1 2 Linda Nicholson . K. . 7161 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7161 _Assembly.ID 1 _Assembly.Name 'Ezrin FERM C ERMAD Complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state unknown _Assembly.Molecular_mass 49500 _Assembly.Enzyme_commission_number . _Assembly.Details 'Non-covalent complex of isotopically labelled Ezrin C ERMAD and natural abundance Ezrin FERM domain' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID 'protein-protein complex' 7161 1 stop_ 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 'C ERMAD' 1 $C_terminal_domain_of_Ezrin . . yes native no no . Regulatory . 7161 1 2 'N FERM' 2 $N_terminal_domain_of_Ezrin . . no native no no . Regulatory . 7161 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Cytoskeletal membrane crosslinker' 7161 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_C_terminal_domain_of_Ezrin _Entity.Sf_category entity _Entity.Sf_framecode C_terminal_domain_of_Ezrin _Entity.Entry_ID 7161 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'C ERMAD' _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 ; PPVYEPVSYHVQESLQDEGA EPTGYSAELSSEGIRDDRNE EKRITEAEKNERVQRQLLTL SSELSQARDENKRTHNDIIH NENMRQGRDKYKTLRQIRQG NTKQRIDEFEAL ; _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 112 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14580 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 1NI2 . "Structure Of The Active Ferm Domain Of Ezrin" . . . . . 100.00 296 100.00 100.00 0.00e+00 . . . . 7161 1 2 no DBJ BAB22341 . "unnamed protein product [Mus musculus]" . . . . . 100.00 586 97.97 99.66 0.00e+00 . . . . 7161 1 3 no DBJ BAE22456 . "unnamed protein product [Mus musculus]" . . . . . 100.00 586 97.97 99.66 0.00e+00 . . . . 7161 1 4 no DBJ BAE22499 . "unnamed protein product [Mus musculus]" . . . . . 100.00 586 97.97 99.66 0.00e+00 . . . . 7161 1 5 no DBJ BAE26602 . "unnamed protein product [Mus musculus]" . . . . . 99.66 586 97.96 99.66 0.00e+00 . . . . 7161 1 6 no DBJ BAE35312 . "unnamed protein product [Mus musculus]" . . . . . 100.00 586 97.97 99.66 0.00e+00 . . . . 7161 1 7 no EMBL CAA35893 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 586 100.00 100.00 0.00e+00 . . . . 7161 1 8 no EMBL CAA43086 . "ezrin [Mus musculus]" . . . . . 100.00 586 97.97 99.66 0.00e+00 . . . . 7161 1 9 no EMBL CAB82418 . "hypothetical protein [Homo sapiens]" . . . . . 100.00 630 100.00 100.00 0.00e+00 . . . . 7161 1 10 no GB AAA30510 . "ezrin [Bos taurus]" . . . . . 100.00 581 97.97 99.32 0.00e+00 . . . . 7161 1 11 no GB AAA61278 . "cytovillin 2 [Homo sapiens]" . . . . . 96.61 575 100.00 100.00 0.00e+00 . . . . 7161 1 12 no GB AAH13903 . "Ezrin [Homo sapiens]" . . . . . 100.00 586 100.00 100.00 0.00e+00 . . . . 7161 1 13 no GB AAH48181 . "Ezrin [Mus musculus]" . . . . . 100.00 586 97.97 99.66 0.00e+00 . . . . 7161 1 14 no GB AAH68458 . "Ezrin [Homo sapiens]" . . . . . 100.00 586 100.00 100.00 0.00e+00 . . . . 7161 1 15 no PIR T47177 . "hypothetical protein DKFZp762H157.1 - human (fragment)" . . . . . 100.00 630 100.00 100.00 0.00e+00 . . . . 7161 1 16 no REF NP_001104547 . "ezrin [Homo sapiens]" . . . . . 100.00 586 100.00 100.00 0.00e+00 . . . . 7161 1 17 no REF NP_001267458 . "ezrin [Pan troglodytes]" . . . . . 98.98 604 100.00 100.00 0.00e+00 . . . . 7161 1 18 no REF NP_001273918 . "ezrin [Canis lupus familiaris]" . . . . . 100.00 586 98.64 99.32 0.00e+00 . . . . 7161 1 19 no REF NP_003370 . "ezrin [Homo sapiens]" . . . . . 100.00 586 100.00 100.00 0.00e+00 . . . . 7161 1 20 no REF NP_033536 . "ezrin [Mus musculus]" . . . . . 100.00 586 97.97 99.66 0.00e+00 . . . . 7161 1 21 no SP P15311 . "RecName: Full=Ezrin; AltName: Full=Cytovillin; AltName: Full=Villin-2; AltName: Full=p81 [Homo sapiens]" . . . . . 100.00 586 100.00 100.00 0.00e+00 . . . . 7161 1 22 no SP P26040 . "RecName: Full=Ezrin; AltName: Full=Cytovillin; AltName: Full=Villin-2; AltName: Full=p81 [Mus musculus]" . . . . . 100.00 586 97.97 99.66 0.00e+00 . . . . 7161 1 23 no SP P31976 . "RecName: Full=Ezrin; AltName: Full=Cytovillin; AltName: Full=Villin-2; AltName: Full=p81 [Bos taurus]" . . . . . 100.00 581 97.97 99.32 0.00e+00 . . . . 7161 1 24 no SP P31977 . "RecName: Full=Ezrin; AltName: Full=Cytovillin; AltName: Full=Villin-2; AltName: Full=p81 [Rattus norvegicus]" . . . . . 100.00 586 97.97 99.66 0.00e+00 . . . . 7161 1 25 no TPG DAA25983 . "TPA: ezrin [Bos taurus]" . . . . . 100.00 581 97.97 99.32 0.00e+00 . . . . 7161 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 1 475 PRO . 7161 1 2 476 PRO . 7161 1 3 477 VAL . 7161 1 4 478 TYR . 7161 1 5 479 GLU . 7161 1 6 480 PRO . 7161 1 7 481 VAL . 7161 1 8 482 SER . 7161 1 9 483 TYR . 7161 1 10 484 HIS . 7161 1 11 485 VAL . 7161 1 12 486 GLN . 7161 1 13 487 GLU . 7161 1 14 488 SER . 7161 1 15 489 LEU . 7161 1 16 490 GLN . 7161 1 17 491 ASP . 7161 1 18 492 GLU . 7161 1 19 493 GLY . 7161 1 20 494 ALA . 7161 1 21 495 GLU . 7161 1 22 496 PRO . 7161 1 23 497 THR . 7161 1 24 498 GLY . 7161 1 25 499 TYR . 7161 1 26 500 SER . 7161 1 27 501 ALA . 7161 1 28 502 GLU . 7161 1 29 503 LEU . 7161 1 30 504 SER . 7161 1 31 505 SER . 7161 1 32 506 GLU . 7161 1 33 507 GLY . 7161 1 34 508 ILE . 7161 1 35 509 ARG . 7161 1 36 510 ASP . 7161 1 37 511 ASP . 7161 1 38 512 ARG . 7161 1 39 513 ASN . 7161 1 40 514 GLU . 7161 1 41 515 GLU . 7161 1 42 516 LYS . 7161 1 43 517 ARG . 7161 1 44 518 ILE . 7161 1 45 519 THR . 7161 1 46 520 GLU . 7161 1 47 521 ALA . 7161 1 48 522 GLU . 7161 1 49 523 LYS . 7161 1 50 524 ASN . 7161 1 51 525 GLU . 7161 1 52 526 ARG . 7161 1 53 527 VAL . 7161 1 54 528 GLN . 7161 1 55 529 ARG . 7161 1 56 530 GLN . 7161 1 57 531 LEU . 7161 1 58 532 LEU . 7161 1 59 533 THR . 7161 1 60 534 LEU . 7161 1 61 535 SER . 7161 1 62 536 SER . 7161 1 63 537 GLU . 7161 1 64 538 LEU . 7161 1 65 539 SER . 7161 1 66 540 GLN . 7161 1 67 541 ALA . 7161 1 68 542 ARG . 7161 1 69 543 ASP . 7161 1 70 544 GLU . 7161 1 71 545 ASN . 7161 1 72 546 LYS . 7161 1 73 547 ARG . 7161 1 74 548 THR . 7161 1 75 549 HIS . 7161 1 76 550 ASN . 7161 1 77 551 ASP . 7161 1 78 552 ILE . 7161 1 79 553 ILE . 7161 1 80 554 HIS . 7161 1 81 555 ASN . 7161 1 82 556 GLU . 7161 1 83 557 ASN . 7161 1 84 558 MET . 7161 1 85 559 ARG . 7161 1 86 560 GLN . 7161 1 87 561 GLY . 7161 1 88 562 ARG . 7161 1 89 563 ASP . 7161 1 90 564 LYS . 7161 1 91 565 TYR . 7161 1 92 566 LYS . 7161 1 93 567 THR . 7161 1 94 568 LEU . 7161 1 95 569 ARG . 7161 1 96 570 GLN . 7161 1 97 571 ILE . 7161 1 98 572 ARG . 7161 1 99 573 GLN . 7161 1 100 574 GLY . 7161 1 101 575 ASN . 7161 1 102 576 THR . 7161 1 103 577 LYS . 7161 1 104 578 GLN . 7161 1 105 579 ARG . 7161 1 106 580 ILE . 7161 1 107 581 ASP . 7161 1 108 582 GLU . 7161 1 109 583 PHE . 7161 1 110 584 GLU . 7161 1 111 585 ALA . 7161 1 112 586 LEU . 7161 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 . PRO 1 1 7161 1 . PRO 2 2 7161 1 . VAL 3 3 7161 1 . TYR 4 4 7161 1 . GLU 5 5 7161 1 . PRO 6 6 7161 1 . VAL 7 7 7161 1 . SER 8 8 7161 1 . TYR 9 9 7161 1 . HIS 10 10 7161 1 . VAL 11 11 7161 1 . GLN 12 12 7161 1 . GLU 13 13 7161 1 . SER 14 14 7161 1 . LEU 15 15 7161 1 . GLN 16 16 7161 1 . ASP 17 17 7161 1 . GLU 18 18 7161 1 . GLY 19 19 7161 1 . ALA 20 20 7161 1 . GLU 21 21 7161 1 . PRO 22 22 7161 1 . THR 23 23 7161 1 . GLY 24 24 7161 1 . TYR 25 25 7161 1 . SER 26 26 7161 1 . ALA 27 27 7161 1 . GLU 28 28 7161 1 . LEU 29 29 7161 1 . SER 30 30 7161 1 . SER 31 31 7161 1 . GLU 32 32 7161 1 . GLY 33 33 7161 1 . ILE 34 34 7161 1 . ARG 35 35 7161 1 . ASP 36 36 7161 1 . ASP 37 37 7161 1 . ARG 38 38 7161 1 . ASN 39 39 7161 1 . GLU 40 40 7161 1 . GLU 41 41 7161 1 . LYS 42 42 7161 1 . ARG 43 43 7161 1 . ILE 44 44 7161 1 . THR 45 45 7161 1 . GLU 46 46 7161 1 . ALA 47 47 7161 1 . GLU 48 48 7161 1 . LYS 49 49 7161 1 . ASN 50 50 7161 1 . GLU 51 51 7161 1 . ARG 52 52 7161 1 . VAL 53 53 7161 1 . GLN 54 54 7161 1 . ARG 55 55 7161 1 . GLN 56 56 7161 1 . LEU 57 57 7161 1 . LEU 58 58 7161 1 . THR 59 59 7161 1 . LEU 60 60 7161 1 . SER 61 61 7161 1 . SER 62 62 7161 1 . GLU 63 63 7161 1 . LEU 64 64 7161 1 . SER 65 65 7161 1 . GLN 66 66 7161 1 . ALA 67 67 7161 1 . ARG 68 68 7161 1 . ASP 69 69 7161 1 . GLU 70 70 7161 1 . ASN 71 71 7161 1 . LYS 72 72 7161 1 . ARG 73 73 7161 1 . THR 74 74 7161 1 . HIS 75 75 7161 1 . ASN 76 76 7161 1 . ASP 77 77 7161 1 . ILE 78 78 7161 1 . ILE 79 79 7161 1 . HIS 80 80 7161 1 . ASN 81 81 7161 1 . GLU 82 82 7161 1 . ASN 83 83 7161 1 . MET 84 84 7161 1 . ARG 85 85 7161 1 . GLN 86 86 7161 1 . GLY 87 87 7161 1 . ARG 88 88 7161 1 . ASP 89 89 7161 1 . LYS 90 90 7161 1 . TYR 91 91 7161 1 . LYS 92 92 7161 1 . THR 93 93 7161 1 . LEU 94 94 7161 1 . ARG 95 95 7161 1 . GLN 96 96 7161 1 . ILE 97 97 7161 1 . ARG 98 98 7161 1 . GLN 99 99 7161 1 . GLY 100 100 7161 1 . ASN 101 101 7161 1 . THR 102 102 7161 1 . LYS 103 103 7161 1 . GLN 104 104 7161 1 . ARG 105 105 7161 1 . ILE 106 106 7161 1 . ASP 107 107 7161 1 . GLU 108 108 7161 1 . PHE 109 109 7161 1 . GLU 110 110 7161 1 . ALA 111 111 7161 1 . LEU 112 112 7161 1 stop_ save_ save_N_terminal_domain_of_Ezrin _Entity.Sf_category entity _Entity.Sf_framecode N_terminal_domain_of_Ezrin _Entity.Entry_ID 7161 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'N FERM' _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 ; PKPINVRVTTMDAELEFAIQ PNTTGKQLFDQVVKTIGLRE VWYFGLHYVDNKGFPTWLKL DKKVSAQEVRKENPLQFKFR AKFYPEDVAEELIQDITQKL FFLQVKEGILSDEIYCPPET AVLLGSYAVQAKFGDYNKEV HKSGYLSSERLIPQRVMDQH KLTRDQWEDRIQVWHAEHRG MLKDNAMLEYLKIAQDLEMY GINYFEIKNKKGTDLWLGVD ALGLNIYEKDDKLTPKIGFP WSEIRNISFNDKKFVIKPID KKAPDFVFYAPRLRINKRIL QLCMGNHELYMRRRK ; _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 297 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 34800 _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 . PRO . 7161 2 2 . LYS . 7161 2 3 . PRO . 7161 2 4 . ILE . 7161 2 5 . ASN . 7161 2 6 . VAL . 7161 2 7 . ARG . 7161 2 8 . VAL . 7161 2 9 . THR . 7161 2 10 . THR . 7161 2 11 . MET . 7161 2 12 . ASP . 7161 2 13 . ALA . 7161 2 14 . GLU . 7161 2 15 . LEU . 7161 2 16 . GLU . 7161 2 17 . PHE . 7161 2 18 . ALA . 7161 2 19 . ILE . 7161 2 20 . GLN . 7161 2 21 . PRO . 7161 2 22 . ASN . 7161 2 23 . THR . 7161 2 24 . THR . 7161 2 25 . GLY . 7161 2 26 . LYS . 7161 2 27 . GLN . 7161 2 28 . LEU . 7161 2 29 . PHE . 7161 2 30 . ASP . 7161 2 31 . GLN . 7161 2 32 . VAL . 7161 2 33 . VAL . 7161 2 34 . LYS . 7161 2 35 . THR . 7161 2 36 . ILE . 7161 2 37 . GLY . 7161 2 38 . LEU . 7161 2 39 . ARG . 7161 2 40 . GLU . 7161 2 41 . VAL . 7161 2 42 . TRP . 7161 2 43 . TYR . 7161 2 44 . PHE . 7161 2 45 . GLY . 7161 2 46 . LEU . 7161 2 47 . HIS . 7161 2 48 . TYR . 7161 2 49 . VAL . 7161 2 50 . ASP . 7161 2 51 . ASN . 7161 2 52 . LYS . 7161 2 53 . GLY . 7161 2 54 . PHE . 7161 2 55 . PRO . 7161 2 56 . THR . 7161 2 57 . TRP . 7161 2 58 . LEU . 7161 2 59 . LYS . 7161 2 60 . LEU . 7161 2 61 . ASP . 7161 2 62 . LYS . 7161 2 63 . LYS . 7161 2 64 . VAL . 7161 2 65 . SER . 7161 2 66 . ALA . 7161 2 67 . GLN . 7161 2 68 . GLU . 7161 2 69 . VAL . 7161 2 70 . ARG . 7161 2 71 . LYS . 7161 2 72 . GLU . 7161 2 73 . ASN . 7161 2 74 . PRO . 7161 2 75 . LEU . 7161 2 76 . GLN . 7161 2 77 . PHE . 7161 2 78 . LYS . 7161 2 79 . PHE . 7161 2 80 . ARG . 7161 2 81 . ALA . 7161 2 82 . LYS . 7161 2 83 . PHE . 7161 2 84 . TYR . 7161 2 85 . PRO . 7161 2 86 . GLU . 7161 2 87 . ASP . 7161 2 88 . VAL . 7161 2 89 . ALA . 7161 2 90 . GLU . 7161 2 91 . GLU . 7161 2 92 . LEU . 7161 2 93 . ILE . 7161 2 94 . GLN . 7161 2 95 . ASP . 7161 2 96 . ILE . 7161 2 97 . THR . 7161 2 98 . GLN . 7161 2 99 . LYS . 7161 2 100 . LEU . 7161 2 101 . PHE . 7161 2 102 . PHE . 7161 2 103 . LEU . 7161 2 104 . GLN . 7161 2 105 . VAL . 7161 2 106 . LYS . 7161 2 107 . GLU . 7161 2 108 . GLY . 7161 2 109 . ILE . 7161 2 110 . LEU . 7161 2 111 . SER . 7161 2 112 . ASP . 7161 2 113 . GLU . 7161 2 114 . ILE . 7161 2 115 . TYR . 7161 2 116 . CYS . 7161 2 117 . PRO . 7161 2 118 . PRO . 7161 2 119 . GLU . 7161 2 120 . THR . 7161 2 121 . ALA . 7161 2 122 . VAL . 7161 2 123 . LEU . 7161 2 124 . LEU . 7161 2 125 . GLY . 7161 2 126 . SER . 7161 2 127 . TYR . 7161 2 128 . ALA . 7161 2 129 . VAL . 7161 2 130 . GLN . 7161 2 131 . ALA . 7161 2 132 . LYS . 7161 2 133 . PHE . 7161 2 134 . GLY . 7161 2 135 . ASP . 7161 2 136 . TYR . 7161 2 137 . ASN . 7161 2 138 . LYS . 7161 2 139 . GLU . 7161 2 140 . VAL . 7161 2 141 . HIS . 7161 2 142 . LYS . 7161 2 143 . SER . 7161 2 144 . GLY . 7161 2 145 . TYR . 7161 2 146 . LEU . 7161 2 147 . SER . 7161 2 148 . SER . 7161 2 149 . GLU . 7161 2 150 . ARG . 7161 2 151 . LEU . 7161 2 152 . ILE . 7161 2 153 . PRO . 7161 2 154 . GLN . 7161 2 155 . ARG . 7161 2 156 . VAL . 7161 2 157 . MET . 7161 2 158 . ASP . 7161 2 159 . GLN . 7161 2 160 . HIS . 7161 2 161 . LYS . 7161 2 162 . LEU . 7161 2 163 . THR . 7161 2 164 . ARG . 7161 2 165 . ASP . 7161 2 166 . GLN . 7161 2 167 . TRP . 7161 2 168 . GLU . 7161 2 169 . ASP . 7161 2 170 . ARG . 7161 2 171 . ILE . 7161 2 172 . GLN . 7161 2 173 . VAL . 7161 2 174 . TRP . 7161 2 175 . HIS . 7161 2 176 . ALA . 7161 2 177 . GLU . 7161 2 178 . HIS . 7161 2 179 . ARG . 7161 2 180 . GLY . 7161 2 181 . MET . 7161 2 182 . LEU . 7161 2 183 . LYS . 7161 2 184 . ASP . 7161 2 185 . ASN . 7161 2 186 . ALA . 7161 2 187 . MET . 7161 2 188 . LEU . 7161 2 189 . GLU . 7161 2 190 . TYR . 7161 2 191 . LEU . 7161 2 192 . LYS . 7161 2 193 . ILE . 7161 2 194 . ALA . 7161 2 195 . GLN . 7161 2 196 . ASP . 7161 2 197 . LEU . 7161 2 198 . GLU . 7161 2 199 . MET . 7161 2 200 . TYR . 7161 2 201 . GLY . 7161 2 202 . ILE . 7161 2 203 . ASN . 7161 2 204 . TYR . 7161 2 205 . PHE . 7161 2 206 . GLU . 7161 2 207 . ILE . 7161 2 208 . LYS . 7161 2 209 . ASN . 7161 2 210 . LYS . 7161 2 211 . LYS . 7161 2 212 . GLY . 7161 2 213 . THR . 7161 2 214 . ASP . 7161 2 215 . LEU . 7161 2 216 . TRP . 7161 2 217 . LEU . 7161 2 218 . GLY . 7161 2 219 . VAL . 7161 2 220 . ASP . 7161 2 221 . ALA . 7161 2 222 . LEU . 7161 2 223 . GLY . 7161 2 224 . LEU . 7161 2 225 . ASN . 7161 2 226 . ILE . 7161 2 227 . TYR . 7161 2 228 . GLU . 7161 2 229 . LYS . 7161 2 230 . ASP . 7161 2 231 . ASP . 7161 2 232 . LYS . 7161 2 233 . LEU . 7161 2 234 . THR . 7161 2 235 . PRO . 7161 2 236 . LYS . 7161 2 237 . ILE . 7161 2 238 . GLY . 7161 2 239 . PHE . 7161 2 240 . PRO . 7161 2 241 . TRP . 7161 2 242 . SER . 7161 2 243 . GLU . 7161 2 244 . ILE . 7161 2 245 . ARG . 7161 2 246 . ASN . 7161 2 247 . ILE . 7161 2 248 . SER . 7161 2 249 . PHE . 7161 2 250 . ASN . 7161 2 251 . ASP . 7161 2 252 . LYS . 7161 2 253 . LYS . 7161 2 254 . PHE . 7161 2 255 . VAL . 7161 2 256 . ILE . 7161 2 257 . LYS . 7161 2 258 . PRO . 7161 2 259 . ILE . 7161 2 260 . ASP . 7161 2 261 . LYS . 7161 2 262 . LYS . 7161 2 263 . ALA . 7161 2 264 . PRO . 7161 2 265 . ASP . 7161 2 266 . PHE . 7161 2 267 . VAL . 7161 2 268 . PHE . 7161 2 269 . TYR . 7161 2 270 . ALA . 7161 2 271 . PRO . 7161 2 272 . ARG . 7161 2 273 . LEU . 7161 2 274 . ARG . 7161 2 275 . ILE . 7161 2 276 . ASN . 7161 2 277 . LYS . 7161 2 278 . ARG . 7161 2 279 . ILE . 7161 2 280 . LEU . 7161 2 281 . GLN . 7161 2 282 . LEU . 7161 2 283 . CYS . 7161 2 284 . MET . 7161 2 285 . GLY . 7161 2 286 . ASN . 7161 2 287 . HIS . 7161 2 288 . GLU . 7161 2 289 . LEU . 7161 2 290 . TYR . 7161 2 291 . MET . 7161 2 292 . ARG . 7161 2 293 . ARG . 7161 2 294 . ARG . 7161 2 295 . LYS . 7161 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 . PRO 1 1 7161 2 . LYS 2 2 7161 2 . PRO 3 3 7161 2 . ILE 4 4 7161 2 . ASN 5 5 7161 2 . VAL 6 6 7161 2 . ARG 7 7 7161 2 . VAL 8 8 7161 2 . THR 9 9 7161 2 . THR 10 10 7161 2 . MET 11 11 7161 2 . ASP 12 12 7161 2 . ALA 13 13 7161 2 . GLU 14 14 7161 2 . LEU 15 15 7161 2 . GLU 16 16 7161 2 . PHE 17 17 7161 2 . ALA 18 18 7161 2 . ILE 19 19 7161 2 . GLN 20 20 7161 2 . PRO 21 21 7161 2 . ASN 22 22 7161 2 . THR 23 23 7161 2 . THR 24 24 7161 2 . GLY 25 25 7161 2 . LYS 26 26 7161 2 . GLN 27 27 7161 2 . LEU 28 28 7161 2 . PHE 29 29 7161 2 . ASP 30 30 7161 2 . GLN 31 31 7161 2 . VAL 32 32 7161 2 . VAL 33 33 7161 2 . LYS 34 34 7161 2 . THR 35 35 7161 2 . ILE 36 36 7161 2 . GLY 37 37 7161 2 . LEU 38 38 7161 2 . ARG 39 39 7161 2 . GLU 40 40 7161 2 . VAL 41 41 7161 2 . TRP 42 42 7161 2 . TYR 43 43 7161 2 . PHE 44 44 7161 2 . GLY 45 45 7161 2 . LEU 46 46 7161 2 . HIS 47 47 7161 2 . TYR 48 48 7161 2 . VAL 49 49 7161 2 . ASP 50 50 7161 2 . ASN 51 51 7161 2 . LYS 52 52 7161 2 . GLY 53 53 7161 2 . PHE 54 54 7161 2 . PRO 55 55 7161 2 . THR 56 56 7161 2 . TRP 57 57 7161 2 . LEU 58 58 7161 2 . LYS 59 59 7161 2 . LEU 60 60 7161 2 . ASP 61 61 7161 2 . LYS 62 62 7161 2 . LYS 63 63 7161 2 . VAL 64 64 7161 2 . SER 65 65 7161 2 . ALA 66 66 7161 2 . GLN 67 67 7161 2 . GLU 68 68 7161 2 . VAL 69 69 7161 2 . ARG 70 70 7161 2 . LYS 71 71 7161 2 . GLU 72 72 7161 2 . ASN 73 73 7161 2 . PRO 74 74 7161 2 . LEU 75 75 7161 2 . GLN 76 76 7161 2 . PHE 77 77 7161 2 . LYS 78 78 7161 2 . PHE 79 79 7161 2 . ARG 80 80 7161 2 . ALA 81 81 7161 2 . LYS 82 82 7161 2 . PHE 83 83 7161 2 . TYR 84 84 7161 2 . PRO 85 85 7161 2 . GLU 86 86 7161 2 . ASP 87 87 7161 2 . VAL 88 88 7161 2 . ALA 89 89 7161 2 . GLU 90 90 7161 2 . GLU 91 91 7161 2 . LEU 92 92 7161 2 . ILE 93 93 7161 2 . GLN 94 94 7161 2 . ASP 95 95 7161 2 . ILE 96 96 7161 2 . THR 97 97 7161 2 . GLN 98 98 7161 2 . LYS 99 99 7161 2 . LEU 100 100 7161 2 . PHE 101 101 7161 2 . PHE 102 102 7161 2 . LEU 103 103 7161 2 . GLN 104 104 7161 2 . VAL 105 105 7161 2 . LYS 106 106 7161 2 . GLU 107 107 7161 2 . GLY 108 108 7161 2 . ILE 109 109 7161 2 . LEU 110 110 7161 2 . SER 111 111 7161 2 . ASP 112 112 7161 2 . GLU 113 113 7161 2 . ILE 114 114 7161 2 . TYR 115 115 7161 2 . CYS 116 116 7161 2 . PRO 117 117 7161 2 . PRO 118 118 7161 2 . GLU 119 119 7161 2 . THR 120 120 7161 2 . ALA 121 121 7161 2 . VAL 122 122 7161 2 . LEU 123 123 7161 2 . LEU 124 124 7161 2 . GLY 125 125 7161 2 . SER 126 126 7161 2 . TYR 127 127 7161 2 . ALA 128 128 7161 2 . VAL 129 129 7161 2 . GLN 130 130 7161 2 . ALA 131 131 7161 2 . LYS 132 132 7161 2 . PHE 133 133 7161 2 . GLY 134 134 7161 2 . ASP 135 135 7161 2 . TYR 136 136 7161 2 . ASN 137 137 7161 2 . LYS 138 138 7161 2 . GLU 139 139 7161 2 . VAL 140 140 7161 2 . HIS 141 141 7161 2 . LYS 142 142 7161 2 . SER 143 143 7161 2 . GLY 144 144 7161 2 . TYR 145 145 7161 2 . LEU 146 146 7161 2 . SER 147 147 7161 2 . SER 148 148 7161 2 . GLU 149 149 7161 2 . ARG 150 150 7161 2 . LEU 151 151 7161 2 . ILE 152 152 7161 2 . PRO 153 153 7161 2 . GLN 154 154 7161 2 . ARG 155 155 7161 2 . VAL 156 156 7161 2 . MET 157 157 7161 2 . ASP 158 158 7161 2 . GLN 159 159 7161 2 . HIS 160 160 7161 2 . LYS 161 161 7161 2 . LEU 162 162 7161 2 . THR 163 163 7161 2 . ARG 164 164 7161 2 . ASP 165 165 7161 2 . GLN 166 166 7161 2 . TRP 167 167 7161 2 . GLU 168 168 7161 2 . ASP 169 169 7161 2 . ARG 170 170 7161 2 . ILE 171 171 7161 2 . GLN 172 172 7161 2 . VAL 173 173 7161 2 . TRP 174 174 7161 2 . HIS 175 175 7161 2 . ALA 176 176 7161 2 . GLU 177 177 7161 2 . HIS 178 178 7161 2 . ARG 179 179 7161 2 . GLY 180 180 7161 2 . MET 181 181 7161 2 . LEU 182 182 7161 2 . LYS 183 183 7161 2 . ASP 184 184 7161 2 . ASN 185 185 7161 2 . ALA 186 186 7161 2 . MET 187 187 7161 2 . LEU 188 188 7161 2 . GLU 189 189 7161 2 . TYR 190 190 7161 2 . LEU 191 191 7161 2 . LYS 192 192 7161 2 . ILE 193 193 7161 2 . ALA 194 194 7161 2 . GLN 195 195 7161 2 . ASP 196 196 7161 2 . LEU 197 197 7161 2 . GLU 198 198 7161 2 . MET 199 199 7161 2 . TYR 200 200 7161 2 . GLY 201 201 7161 2 . ILE 202 202 7161 2 . ASN 203 203 7161 2 . TYR 204 204 7161 2 . PHE 205 205 7161 2 . GLU 206 206 7161 2 . ILE 207 207 7161 2 . LYS 208 208 7161 2 . ASN 209 209 7161 2 . LYS 210 210 7161 2 . LYS 211 211 7161 2 . GLY 212 212 7161 2 . THR 213 213 7161 2 . ASP 214 214 7161 2 . LEU 215 215 7161 2 . TRP 216 216 7161 2 . LEU 217 217 7161 2 . GLY 218 218 7161 2 . VAL 219 219 7161 2 . ASP 220 220 7161 2 . ALA 221 221 7161 2 . LEU 222 222 7161 2 . GLY 223 223 7161 2 . LEU 224 224 7161 2 . ASN 225 225 7161 2 . ILE 226 226 7161 2 . TYR 227 227 7161 2 . GLU 228 228 7161 2 . LYS 229 229 7161 2 . ASP 230 230 7161 2 . ASP 231 231 7161 2 . LYS 232 232 7161 2 . LEU 233 233 7161 2 . THR 234 234 7161 2 . PRO 235 235 7161 2 . LYS 236 236 7161 2 . ILE 237 237 7161 2 . GLY 238 238 7161 2 . PHE 239 239 7161 2 . PRO 240 240 7161 2 . TRP 241 241 7161 2 . SER 242 242 7161 2 . GLU 243 243 7161 2 . ILE 244 244 7161 2 . ARG 245 245 7161 2 . ASN 246 246 7161 2 . ILE 247 247 7161 2 . SER 248 248 7161 2 . PHE 249 249 7161 2 . ASN 250 250 7161 2 . ASP 251 251 7161 2 . LYS 252 252 7161 2 . LYS 253 253 7161 2 . PHE 254 254 7161 2 . VAL 255 255 7161 2 . ILE 256 256 7161 2 . LYS 257 257 7161 2 . PRO 258 258 7161 2 . ILE 259 259 7161 2 . ASP 260 260 7161 2 . LYS 261 261 7161 2 . LYS 262 262 7161 2 . ALA 263 263 7161 2 . PRO 264 264 7161 2 . ASP 265 265 7161 2 . PHE 266 266 7161 2 . VAL 267 267 7161 2 . PHE 268 268 7161 2 . TYR 269 269 7161 2 . ALA 270 270 7161 2 . PRO 271 271 7161 2 . ARG 272 272 7161 2 . LEU 273 273 7161 2 . ARG 274 274 7161 2 . ILE 275 275 7161 2 . ASN 276 276 7161 2 . LYS 277 277 7161 2 . ARG 278 278 7161 2 . ILE 279 279 7161 2 . LEU 280 280 7161 2 . GLN 281 281 7161 2 . LEU 282 282 7161 2 . CYS 283 283 7161 2 . MET 284 284 7161 2 . GLY 285 285 7161 2 . ASN 286 286 7161 2 . HIS 287 287 7161 2 . GLU 288 288 7161 2 . LEU 289 289 7161 2 . TYR 290 290 7161 2 . MET 291 291 7161 2 . ARG 292 292 7161 2 . ARG 293 293 7161 2 . ARG 294 294 7161 2 . LYS 295 295 7161 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 7161 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $C_terminal_domain_of_Ezrin . 9606 . yes . Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 7161 1 2 2 $N_terminal_domain_of_Ezrin . 9606 . yes . Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 7161 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 7161 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $C_terminal_domain_of_Ezrin . 'recombinant technology' . 'E. coli' 'BL21 DE3' 562 Escherichia coli 'BL21 DE3' . . . . . . . . . . . . Plasmid . . . . . . . . . 7161 1 2 2 $N_terminal_domain_of_Ezrin . 'recombinant technology' . 'E. coli' 'BL21 DE3' 562 Escherichia coli 'BL21 DE3' . . . . . . . . . . . . Plasmid . . . . . . . . . 7161 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7161 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'C ERMAD' '[U-99% 13C; U-99% 15N; U-95% 2H]' . . 1 $C_terminal_domain_of_Ezrin . protein 0.5 . . mM . . . . 7161 1 2 'N FERM' 'natural abundance' . . 2 $N_terminal_domain_of_Ezrin . protein 0.5 . . mM . . . . 7161 1 3 'Acetic Acid' 'natural abundance' . . . . . buffer 10 . . mM . . . . 7161 1 4 'Sodium Acetate' 'natural abundance' . . . . . buffer 90 . . mM . . . . 7161 1 5 DTT 'natural abundance' . . . . . buffer 5 . . mM . . . . 7161 1 6 'Sodium Azide' 'natural abundance' . . . . . buffer 15 . . mM . . . . 7161 1 7 'Protease inhibitors' 'natural abundance' . . . . . . . . . mM . . . . 7161 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7161 _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 5.7 0.1 pH 7161 1 temperature 303 2 K 7161 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 7161 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7161 _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 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7161 1 2 '3D 15N-edited NOESY (80, 100 and 150 ms mixing times)' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7161 1 3 HNCO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7161 1 4 HNCOCA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7161 1 5 HNCACB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7161 1 6 HNCA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7161 1 7 CBCACONH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7161 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7161 _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 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 7161 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 7161 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 7161 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7161 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 $sample_1 isotropic 7161 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 PRO C C 13 176.7 0.3 . 1 . . . . 476 PRO C . 7161 1 2 . 1 1 2 2 PRO CA C 13 63.01 0.3 . 1 . . . . 476 PRO CA . 7161 1 3 . 1 1 2 2 PRO CB C 13 31.75 0.3 . 1 . . . . 476 PRO CB . 7161 1 4 . 1 1 3 3 VAL H H 1 8.002 0.02 . 1 . . . . 477 VAL H . 7161 1 5 . 1 1 3 3 VAL C C 13 175.8 0.3 . 1 . . . . 477 VAL C . 7161 1 6 . 1 1 3 3 VAL CA C 13 62.48 0.3 . 1 . . . . 477 VAL CA . 7161 1 7 . 1 1 3 3 VAL CB C 13 32.92 0.3 . 1 . . . . 477 VAL CB . 7161 1 8 . 1 1 3 3 VAL N N 15 120.2 0.2 . 1 . . . . 477 VAL N . 7161 1 9 . 1 1 4 4 TYR H H 1 8.216 0.02 . 1 . . . . 478 TYR H . 7161 1 10 . 1 1 4 4 TYR C C 13 175.2 0.3 . 1 . . . . 478 TYR C . 7161 1 11 . 1 1 4 4 TYR CA C 13 57.84 0.3 . 1 . . . . 478 TYR CA . 7161 1 12 . 1 1 4 4 TYR CB C 13 39.25 0.3 . 1 . . . . 478 TYR CB . 7161 1 13 . 1 1 4 4 TYR N N 15 124.6 0.2 . 1 . . . . 478 TYR N . 7161 1 14 . 1 1 5 5 GLU H H 1 8.118 0.02 . 1 . . . . 479 GLU H . 7161 1 15 . 1 1 5 5 GLU CA C 13 54.11 0.3 . 1 . . . . 479 GLU CA . 7161 1 16 . 1 1 5 5 GLU CB C 13 30.42 0.3 . 1 . . . . 479 GLU CB . 7161 1 17 . 1 1 5 5 GLU N N 15 125.7 0.2 . 1 . . . . 479 GLU N . 7161 1 18 . 1 1 6 6 PRO C C 13 176.4 0.3 . 1 . . . . 480 PRO C . 7161 1 19 . 1 1 6 6 PRO CA C 13 62.97 0.3 . 1 . . . . 480 PRO CA . 7161 1 20 . 1 1 7 7 VAL H H 1 7.937 0.02 . 1 . . . . 481 VAL H . 7161 1 21 . 1 1 7 7 VAL C C 13 176.3 0.3 . 1 . . . . 481 VAL C . 7161 1 22 . 1 1 7 7 VAL CA C 13 62.65 0.3 . 1 . . . . 481 VAL CA . 7161 1 23 . 1 1 7 7 VAL CB C 13 32.45 0.3 . 1 . . . . 481 VAL CB . 7161 1 24 . 1 1 7 7 VAL N N 15 119.9 0.2 . 1 . . . . 481 VAL N . 7161 1 25 . 1 1 8 8 SER H H 1 8.328 0.02 . 1 . . . . 482 SER H . 7161 1 26 . 1 1 8 8 SER C C 13 175.8 0.3 . 1 . . . . 482 SER C . 7161 1 27 . 1 1 8 8 SER CA C 13 58.58 0.3 . 1 . . . . 482 SER CA . 7161 1 28 . 1 1 8 8 SER CB C 13 64.69 0.3 . 1 . . . . 482 SER CB . 7161 1 29 . 1 1 8 8 SER N N 15 119.6 0.2 . 1 . . . . 482 SER N . 7161 1 30 . 1 1 9 9 TYR H H 1 8.241 0.02 . 1 . . . . 483 TYR H . 7161 1 31 . 1 1 9 9 TYR CA C 13 58.1 0.3 . 1 . . . . 483 TYR CA . 7161 1 32 . 1 1 9 9 TYR CB C 13 39.31 0.3 . 1 . . . . 483 TYR CB . 7161 1 33 . 1 1 9 9 TYR N N 15 124.9 0.2 . 1 . . . . 483 TYR N . 7161 1 34 . 1 1 10 10 HIS C C 13 177.7 0.3 . 1 . . . . 484 HIS C . 7161 1 35 . 1 1 10 10 HIS CA C 13 56.04 0.3 . 1 . . . . 484 HIS CA . 7161 1 36 . 1 1 11 11 VAL H H 1 8.163 0.02 . 1 . . . . 485 VAL H . 7161 1 37 . 1 1 11 11 VAL C C 13 176 0.3 . 1 . . . . 485 VAL C . 7161 1 38 . 1 1 11 11 VAL CA C 13 62.47 0.3 . 1 . . . . 485 VAL CA . 7161 1 39 . 1 1 11 11 VAL CB C 13 32.92 0.3 . 1 . . . . 485 VAL CB . 7161 1 40 . 1 1 11 11 VAL N N 15 121.8 0.2 . 1 . . . . 485 VAL N . 7161 1 41 . 1 1 12 12 GLN H H 1 8.626 0.02 . 1 . . . . 486 GLN H . 7161 1 42 . 1 1 12 12 GLN C C 13 176.1 0.3 . 1 . . . . 486 GLN C . 7161 1 43 . 1 1 12 12 GLN CA C 13 56.27 0.3 . 1 . . . . 486 GLN CA . 7161 1 44 . 1 1 12 12 GLN CB C 13 29.35 0.3 . 1 . . . . 486 GLN CB . 7161 1 45 . 1 1 12 12 GLN N N 15 125 0.2 . 1 . . . . 486 GLN N . 7161 1 46 . 1 1 13 13 GLU H H 1 8.539 0.02 . 1 . . . . 487 GLU H . 7161 1 47 . 1 1 13 13 GLU C C 13 176.5 0.3 . 1 . . . . 487 GLU C . 7161 1 48 . 1 1 13 13 GLU CA C 13 56.82 0.3 . 1 . . . . 487 GLU CA . 7161 1 49 . 1 1 13 13 GLU CB C 13 30.56 0.3 . 1 . . . . 487 GLU CB . 7161 1 50 . 1 1 13 13 GLU N N 15 123.6 0.2 . 1 . . . . 487 GLU N . 7161 1 51 . 1 1 14 14 SER H H 1 8.314 0.02 . 1 . . . . 488 SER H . 7161 1 52 . 1 1 14 14 SER C C 13 174.5 0.3 . 1 . . . . 488 SER C . 7161 1 53 . 1 1 14 14 SER CA C 13 58.66 0.3 . 1 . . . . 488 SER CA . 7161 1 54 . 1 1 14 14 SER CB C 13 64.29 0.3 . 1 . . . . 488 SER CB . 7161 1 55 . 1 1 14 14 SER N N 15 117.3 0.2 . 1 . . . . 488 SER N . 7161 1 56 . 1 1 15 15 LEU H H 1 8.314 0.02 . 1 . . . . 489 LEU H . 7161 1 57 . 1 1 15 15 LEU C C 13 177.5 0.3 . 1 . . . . 489 LEU C . 7161 1 58 . 1 1 15 15 LEU CA C 13 55.5 0.3 . 1 . . . . 489 LEU CA . 7161 1 59 . 1 1 15 15 LEU CB C 13 42.17 0.3 . 1 . . . . 489 LEU CB . 7161 1 60 . 1 1 15 15 LEU N N 15 124.7 0.2 . 1 . . . . 489 LEU N . 7161 1 61 . 1 1 16 16 GLN H H 1 8.354 0.02 . 1 . . . . 490 GLN H . 7161 1 62 . 1 1 16 16 GLN C C 13 175.8 0.3 . 1 . . . . 490 GLN C . 7161 1 63 . 1 1 16 16 GLN CA C 13 56.24 0.3 . 1 . . . . 490 GLN CA . 7161 1 64 . 1 1 16 16 GLN CB C 13 29.44 0.3 . 1 . . . . 490 GLN CB . 7161 1 65 . 1 1 16 16 GLN N N 15 121.1 0.2 . 1 . . . . 490 GLN N . 7161 1 66 . 1 1 17 17 ASP H H 1 8.318 0.02 . 1 . . . . 491 ASP H . 7161 1 67 . 1 1 17 17 ASP C C 13 176.5 0.3 . 1 . . . . 491 ASP C . 7161 1 68 . 1 1 17 17 ASP CA C 13 54.75 0.3 . 1 . . . . 491 ASP CA . 7161 1 69 . 1 1 17 17 ASP CB C 13 41.74 0.3 . 1 . . . . 491 ASP CB . 7161 1 70 . 1 1 17 17 ASP N N 15 121.9 0.2 . 1 . . . . 491 ASP N . 7161 1 71 . 1 1 18 18 GLU H H 1 8.452 0.02 . 1 . . . . 492 GLU H . 7161 1 72 . 1 1 18 18 GLU C C 13 177.3 0.3 . 1 . . . . 492 GLU C . 7161 1 73 . 1 1 18 18 GLU CA C 13 57.46 0.3 . 1 . . . . 492 GLU CA . 7161 1 74 . 1 1 18 18 GLU CB C 13 30.11 0.3 . 1 . . . . 492 GLU CB . 7161 1 75 . 1 1 18 18 GLU N N 15 122.1 0.2 . 1 . . . . 492 GLU N . 7161 1 76 . 1 1 19 19 GLY H H 1 8.477 0.02 . 1 . . . . 493 GLY H . 7161 1 77 . 1 1 19 19 GLY C C 13 174 0.3 . 1 . . . . 493 GLY C . 7161 1 78 . 1 1 19 19 GLY CA C 13 45.66 0.3 . 1 . . . . 493 GLY CA . 7161 1 79 . 1 1 19 19 GLY N N 15 110.3 0.2 . 1 . . . . 493 GLY N . 7161 1 80 . 1 1 20 20 ALA H H 1 7.995 0.02 . 1 . . . . 494 ALA H . 7161 1 81 . 1 1 20 20 ALA C C 13 177.6 0.3 . 1 . . . . 494 ALA C . 7161 1 82 . 1 1 20 20 ALA CA C 13 52.5 0.3 . 1 . . . . 494 ALA CA . 7161 1 83 . 1 1 20 20 ALA CB C 13 19.86 0.3 . 1 . . . . 494 ALA CB . 7161 1 84 . 1 1 20 20 ALA N N 15 123.9 0.2 . 1 . . . . 494 ALA N . 7161 1 85 . 1 1 21 21 GLU H H 1 8.264 0.02 . 1 . . . . 495 GLU H . 7161 1 86 . 1 1 21 21 GLU CA C 13 54.8 0.3 . 1 . . . . 495 GLU CA . 7161 1 87 . 1 1 21 21 GLU CB C 13 30.02 0.3 . 1 . . . . 495 GLU CB . 7161 1 88 . 1 1 21 21 GLU N N 15 121.4 0.2 . 1 . . . . 495 GLU N . 7161 1 89 . 1 1 22 22 PRO C C 13 177.2 0.3 . 1 . . . . 496 PRO C . 7161 1 90 . 1 1 22 22 PRO CA C 13 63.66 0.3 . 1 . . . . 496 PRO CA . 7161 1 91 . 1 1 22 22 PRO CB C 13 32.04 0.3 . 1 . . . . 496 PRO CB . 7161 1 92 . 1 1 23 23 THR H H 1 8.186 0.02 . 1 . . . . 497 THR H . 7161 1 93 . 1 1 23 23 THR C C 13 173.9 0.3 . 1 . . . . 497 THR C . 7161 1 94 . 1 1 23 23 THR CA C 13 62.71 0.3 . 1 . . . . 497 THR CA . 7161 1 95 . 1 1 23 23 THR CB C 13 69.98 0.3 . 1 . . . . 497 THR CB . 7161 1 96 . 1 1 23 23 THR N N 15 111.9 0.2 . 1 . . . . 497 THR N . 7161 1 97 . 1 1 24 24 GLY H H 1 7.399 0.02 . 1 . . . . 498 GLY H . 7161 1 98 . 1 1 24 24 GLY C C 13 173.9 0.3 . 1 . . . . 498 GLY C . 7161 1 99 . 1 1 24 24 GLY CA C 13 45.54 0.3 . 1 . . . . 498 GLY CA . 7161 1 100 . 1 1 24 24 GLY N N 15 108.7 0.2 . 1 . . . . 498 GLY N . 7161 1 101 . 1 1 25 25 TYR H H 1 8.41 0.02 . 1 . . . . 499 TYR H . 7161 1 102 . 1 1 25 25 TYR C C 13 176.1 0.3 . 1 . . . . 499 TYR C . 7161 1 103 . 1 1 25 25 TYR CA C 13 54.08 0.3 . 1 . . . . 499 TYR CA . 7161 1 104 . 1 1 25 25 TYR CB C 13 43.11 0.3 . 1 . . . . 499 TYR CB . 7161 1 105 . 1 1 25 25 TYR N N 15 119.5 0.2 . 1 . . . . 499 TYR N . 7161 1 106 . 1 1 26 26 SER H H 1 8.518 0.02 . 1 . . . . 500 SER H . 7161 1 107 . 1 1 26 26 SER CA C 13 58.07 0.3 . 1 . . . . 500 SER CA . 7161 1 108 . 1 1 26 26 SER CB C 13 64.82 0.3 . 1 . . . . 500 SER CB . 7161 1 109 . 1 1 26 26 SER N N 15 117.2 0.2 . 1 . . . . 500 SER N . 7161 1 110 . 1 1 27 27 ALA CA C 13 52.29 0.3 . 1 . . . . 501 ALA CA . 7161 1 111 . 1 1 27 27 ALA CB C 13 19.66 0.3 . 1 . . . . 501 ALA CB . 7161 1 112 . 1 1 28 28 GLU H H 1 8.319 0.02 . 1 . . . . 502 GLU H . 7161 1 113 . 1 1 28 28 GLU C C 13 176 0.3 . 1 . . . . 502 GLU C . 7161 1 114 . 1 1 28 28 GLU CA C 13 55.95 0.3 . 1 . . . . 502 GLU CA . 7161 1 115 . 1 1 28 28 GLU N N 15 121.9 0.2 . 1 . . . . 502 GLU N . 7161 1 116 . 1 1 29 29 LEU H H 1 8.4 0.02 . 1 . . . . 503 LEU H . 7161 1 117 . 1 1 29 29 LEU CA C 13 54.21 0.3 . 1 . . . . 503 LEU CA . 7161 1 118 . 1 1 29 29 LEU CB C 13 41.83 0.3 . 1 . . . . 503 LEU CB . 7161 1 119 . 1 1 29 29 LEU N N 15 127.4 0.2 . 1 . . . . 503 LEU N . 7161 1 120 . 1 1 30 30 SER C C 13 175.1 0.3 . 1 . . . . 504 SER C . 7161 1 121 . 1 1 30 30 SER CA C 13 58.13 0.3 . 1 . . . . 504 SER CA . 7161 1 122 . 1 1 31 31 SER H H 1 8.815 0.02 . 1 . . . . 505 SER H . 7161 1 123 . 1 1 31 31 SER C C 13 174.2 0.3 . 1 . . . . 505 SER C . 7161 1 124 . 1 1 31 31 SER CA C 13 57.59 0.3 . 1 . . . . 505 SER CA . 7161 1 125 . 1 1 31 31 SER N N 15 121 0.2 . 1 . . . . 505 SER N . 7161 1 126 . 1 1 32 32 GLU H H 1 7.99 0.02 . 1 . . . . 506 GLU H . 7161 1 127 . 1 1 32 32 GLU C C 13 177.8 0.3 . 1 . . . . 506 GLU C . 7161 1 128 . 1 1 32 32 GLU CA C 13 57.72 0.3 . 1 . . . . 506 GLU CA . 7161 1 129 . 1 1 32 32 GLU CB C 13 30.09 0.3 . 1 . . . . 506 GLU CB . 7161 1 130 . 1 1 32 32 GLU N N 15 122.4 0.2 . 1 . . . . 506 GLU N . 7161 1 131 . 1 1 33 33 GLY H H 1 8.694 0.02 . 1 . . . . 507 GLY H . 7161 1 132 . 1 1 33 33 GLY C C 13 174.7 0.3 . 1 . . . . 507 GLY C . 7161 1 133 . 1 1 33 33 GLY CA C 13 46.22 0.3 . 1 . . . . 507 GLY CA . 7161 1 134 . 1 1 33 33 GLY N N 15 110.9 0.2 . 1 . . . . 507 GLY N . 7161 1 135 . 1 1 34 34 ILE H H 1 7.339 0.02 . 1 . . . . 508 ILE H . 7161 1 136 . 1 1 34 34 ILE CA C 13 61.47 0.3 . 1 . . . . 508 ILE CA . 7161 1 137 . 1 1 34 34 ILE CB C 13 40.41 0.3 . 1 . . . . 508 ILE CB . 7161 1 138 . 1 1 34 34 ILE N N 15 114 0.2 . 1 . . . . 508 ILE N . 7161 1 139 . 1 1 35 35 ARG C C 13 176.2 0.3 . 1 . . . . 509 ARG C . 7161 1 140 . 1 1 36 36 ASP H H 1 8.142 0.02 . 1 . . . . 510 ASP H . 7161 1 141 . 1 1 36 36 ASP C C 13 178.2 0.3 . 1 . . . . 510 ASP C . 7161 1 142 . 1 1 36 36 ASP CA C 13 58.38 0.3 . 1 . . . . 510 ASP CA . 7161 1 143 . 1 1 36 36 ASP CB C 13 39.96 0.3 . 1 . . . . 510 ASP CB . 7161 1 144 . 1 1 36 36 ASP N N 15 120.6 0.2 . 1 . . . . 510 ASP N . 7161 1 145 . 1 1 37 37 ASP H H 1 8.033 0.02 . 1 . . . . 511 ASP H . 7161 1 146 . 1 1 37 37 ASP C C 13 175 0.3 . 1 . . . . 511 ASP C . 7161 1 147 . 1 1 37 37 ASP CA C 13 57.75 0.3 . 1 . . . . 511 ASP CA . 7161 1 148 . 1 1 37 37 ASP CB C 13 39.31 0.3 . 1 . . . . 511 ASP CB . 7161 1 149 . 1 1 37 37 ASP N N 15 122.9 0.2 . 1 . . . . 511 ASP N . 7161 1 150 . 1 1 38 38 ARG H H 1 8.089 0.02 . 1 . . . . 512 ARG H . 7161 1 151 . 1 1 38 38 ARG CA C 13 54.08 0.3 . 1 . . . . 512 ARG CA . 7161 1 152 . 1 1 38 38 ARG CB C 13 30.47 0.3 . 1 . . . . 512 ARG CB . 7161 1 153 . 1 1 38 38 ARG N N 15 125.1 0.2 . 1 . . . . 512 ARG N . 7161 1 154 . 1 1 39 39 ASN C C 13 175.1 0.3 . 1 . . . . 513 ASN C . 7161 1 155 . 1 1 39 39 ASN CA C 13 52.07 0.3 . 1 . . . . 513 ASN CA . 7161 1 156 . 1 1 40 40 GLU H H 1 8.335 0.02 . 9 . . . . 514 GLU H . 7161 1 157 . 1 1 40 40 GLU CB C 13 30.31 0.3 . 9 . . . . 514 GLU CB . 7161 1 158 . 1 1 40 40 GLU N N 15 123.9 0.2 . 9 . . . . 514 GLU N . 7161 1 159 . 1 1 41 41 GLU C C 13 177.4 0.3 . 5 . . . . 515 GLU C . 7161 1 160 . 1 1 41 41 GLU CA C 13 59.62 0.3 . 1 . . . . 515 GLU CA . 7161 1 161 . 1 1 42 42 LYS H H 1 8.308 0.02 . 1 . . . . 516 LYS H . 7161 1 162 . 1 1 42 42 LYS C C 13 176.5 0.3 . 1 . . . . 516 LYS C . 7161 1 163 . 1 1 42 42 LYS CA C 13 55.26 0.3 . 1 . . . . 516 LYS CA . 7161 1 164 . 1 1 42 42 LYS N N 15 122.3 0.2 . 1 . . . . 516 LYS N . 7161 1 165 . 1 1 43 43 ARG H H 1 6.772 0.02 . 1 . . . . 517 ARG H . 7161 1 166 . 1 1 43 43 ARG C C 13 173.8 0.3 . 1 . . . . 517 ARG C . 7161 1 167 . 1 1 43 43 ARG CA C 13 57.44 0.3 . 1 . . . . 517 ARG CA . 7161 1 168 . 1 1 43 43 ARG CB C 13 30.51 0.3 . 1 . . . . 517 ARG CB . 7161 1 169 . 1 1 43 43 ARG N N 15 122.1 0.2 . 1 . . . . 517 ARG N . 7161 1 170 . 1 1 44 44 ILE H H 1 7.663 0.02 . 1 . . . . 518 ILE H . 7161 1 171 . 1 1 44 44 ILE C C 13 176.5 0.3 . 1 . . . . 518 ILE C . 7161 1 172 . 1 1 44 44 ILE CA C 13 59.14 0.3 . 1 . . . . 518 ILE CA . 7161 1 173 . 1 1 44 44 ILE CB C 13 40.47 0.3 . 1 . . . . 518 ILE CB . 7161 1 174 . 1 1 44 44 ILE N N 15 116.4 0.2 . 1 . . . . 518 ILE N . 7161 1 175 . 1 1 45 45 THR H H 1 8.578 0.02 . 1 . . . . 519 THR H . 7161 1 176 . 1 1 45 45 THR C C 13 175.7 0.3 . 1 . . . . 519 THR C . 7161 1 177 . 1 1 45 45 THR CA C 13 61.84 0.3 . 1 . . . . 519 THR CA . 7161 1 178 . 1 1 45 45 THR N N 15 114.6 0.2 . 1 . . . . 519 THR N . 7161 1 179 . 1 1 46 46 GLU H H 1 10.46 0.02 . 1 . . . . 520 GLU H . 7161 1 180 . 1 1 46 46 GLU C C 13 178.6 0.3 . 1 . . . . 520 GLU C . 7161 1 181 . 1 1 46 46 GLU CA C 13 58.29 0.3 . 1 . . . . 520 GLU CA . 7161 1 182 . 1 1 46 46 GLU CB C 13 31.67 0.3 . 1 . . . . 520 GLU CB . 7161 1 183 . 1 1 46 46 GLU N N 15 125.9 0.2 . 1 . . . . 520 GLU N . 7161 1 184 . 1 1 47 47 ALA H H 1 8.386 0.02 . 1 . . . . 521 ALA H . 7161 1 185 . 1 1 47 47 ALA C C 13 177.4 0.3 . 1 . . . . 521 ALA C . 7161 1 186 . 1 1 47 47 ALA CA C 13 55.03 0.3 . 1 . . . . 521 ALA CA . 7161 1 187 . 1 1 47 47 ALA CB C 13 17.98 0.3 . 1 . . . . 521 ALA CB . 7161 1 188 . 1 1 47 47 ALA N N 15 118.6 0.2 . 1 . . . . 521 ALA N . 7161 1 189 . 1 1 48 48 GLU H H 1 7.328 0.02 . 1 . . . . 522 GLU H . 7161 1 190 . 1 1 48 48 GLU C C 13 178.1 0.3 . 1 . . . . 522 GLU C . 7161 1 191 . 1 1 48 48 GLU CA C 13 58.41 0.3 . 1 . . . . 522 GLU CA . 7161 1 192 . 1 1 48 48 GLU CB C 13 30.25 0.3 . 1 . . . . 522 GLU CB . 7161 1 193 . 1 1 48 48 GLU N N 15 114.6 0.2 . 1 . . . . 522 GLU N . 7161 1 194 . 1 1 49 49 LYS H H 1 8.066 0.02 . 1 . . . . 523 LYS H . 7161 1 195 . 1 1 49 49 LYS C C 13 176.4 0.3 . 1 . . . . 523 LYS C . 7161 1 196 . 1 1 49 49 LYS CA C 13 58.08 0.3 . 1 . . . . 523 LYS CA . 7161 1 197 . 1 1 49 49 LYS CB C 13 33.51 0.3 . 1 . . . . 523 LYS CB . 7161 1 198 . 1 1 49 49 LYS N N 15 118.4 0.2 . 1 . . . . 523 LYS N . 7161 1 199 . 1 1 50 50 ASN H H 1 8.283 0.02 . 1 . . . . 524 ASN H . 7161 1 200 . 1 1 50 50 ASN C C 13 174.4 0.3 . 1 . . . . 524 ASN C . 7161 1 201 . 1 1 50 50 ASN CA C 13 51.8 0.3 . 1 . . . . 524 ASN CA . 7161 1 202 . 1 1 50 50 ASN CB C 13 39.07 0.3 . 1 . . . . 524 ASN CB . 7161 1 203 . 1 1 50 50 ASN N N 15 119.8 0.2 . 1 . . . . 524 ASN N . 7161 1 204 . 1 1 51 51 GLU H H 1 8.769 0.02 . 1 . . . . 525 GLU H . 7161 1 205 . 1 1 51 51 GLU C C 13 178 0.3 . 1 . . . . 525 GLU C . 7161 1 206 . 1 1 51 51 GLU CA C 13 59.42 0.3 . 1 . . . . 525 GLU CA . 7161 1 207 . 1 1 51 51 GLU CB C 13 29.33 0.3 . 1 . . . . 525 GLU CB . 7161 1 208 . 1 1 51 51 GLU N N 15 124.9 0.2 . 1 . . . . 525 GLU N . 7161 1 209 . 1 1 52 52 ARG H H 1 7.917 0.02 . 1 . . . . 526 ARG H . 7161 1 210 . 1 1 52 52 ARG C C 13 178.8 0.3 . 1 . . . . 526 ARG C . 7161 1 211 . 1 1 52 52 ARG CA C 13 59.78 0.3 . 1 . . . . 526 ARG CA . 7161 1 212 . 1 1 52 52 ARG CB C 13 29.72 0.3 . 1 . . . . 526 ARG CB . 7161 1 213 . 1 1 52 52 ARG N N 15 120.1 0.2 . 1 . . . . 526 ARG N . 7161 1 214 . 1 1 53 53 VAL H H 1 7.096 0.02 . 1 . . . . 527 VAL H . 7161 1 215 . 1 1 53 53 VAL C C 13 177.8 0.3 . 1 . . . . 527 VAL C . 7161 1 216 . 1 1 53 53 VAL CA C 13 66.14 0.3 . 1 . . . . 527 VAL CA . 7161 1 217 . 1 1 53 53 VAL CB C 13 32.27 0.3 . 1 . . . . 527 VAL CB . 7161 1 218 . 1 1 53 53 VAL N N 15 120.9 0.2 . 1 . . . . 527 VAL N . 7161 1 219 . 1 1 54 54 GLN H H 1 8.172 0.02 . 1 . . . . 528 GLN H . 7161 1 220 . 1 1 54 54 GLN CA C 13 61.05 0.3 . 1 . . . . 528 GLN CA . 7161 1 221 . 1 1 54 54 GLN N N 15 120.2 0.2 . 1 . . . . 528 GLN N . 7161 1 222 . 1 1 55 55 ARG H H 1 8.394 0.02 . 9 . . . . 529 ARG H . 7161 1 223 . 1 1 55 55 ARG C C 13 178.9 0.3 . 9 . . . . 529 ARG C . 7161 1 224 . 1 1 55 55 ARG CA C 13 59.97 0.3 . 9 . . . . 529 ARG CA . 7161 1 225 . 1 1 55 55 ARG N N 15 122.6 0.2 . 9 . . . . 529 ARG N . 7161 1 226 . 1 1 56 56 GLN H H 1 8.122 0.02 . 1 . . . . 530 GLN H . 7161 1 227 . 1 1 56 56 GLN C C 13 178.3 0.3 . 1 . . . . 530 GLN C . 7161 1 228 . 1 1 56 56 GLN CA C 13 59.93 0.3 . 1 . . . . 530 GLN CA . 7161 1 229 . 1 1 56 56 GLN CB C 13 29.69 0.3 . 1 . . . . 530 GLN CB . 7161 1 230 . 1 1 56 56 GLN N N 15 118.1 0.2 . 1 . . . . 530 GLN N . 7161 1 231 . 1 1 57 57 LEU H H 1 8.483 0.02 . 1 . . . . 531 LEU H . 7161 1 232 . 1 1 57 57 LEU C C 13 180.1 0.3 . 1 . . . . 531 LEU C . 7161 1 233 . 1 1 57 57 LEU CA C 13 58.6 0.3 . 1 . . . . 531 LEU CA . 7161 1 234 . 1 1 57 57 LEU CB C 13 41.61 0.3 . 1 . . . . 531 LEU CB . 7161 1 235 . 1 1 57 57 LEU N N 15 118.9 0.2 . 1 . . . . 531 LEU N . 7161 1 236 . 1 1 58 58 LEU H H 1 8.121 0.02 . 1 . . . . 532 LEU H . 7161 1 237 . 1 1 58 58 LEU C C 13 180.9 0.3 . 1 . . . . 532 LEU C . 7161 1 238 . 1 1 58 58 LEU CA C 13 58.53 0.3 . 1 . . . . 532 LEU CA . 7161 1 239 . 1 1 58 58 LEU CB C 13 41.59 0.3 . 1 . . . . 532 LEU CB . 7161 1 240 . 1 1 58 58 LEU N N 15 121.3 0.2 . 1 . . . . 532 LEU N . 7161 1 241 . 1 1 59 59 THR H H 1 8.432 0.02 . 1 . . . . 533 THR H . 7161 1 242 . 1 1 59 59 THR C C 13 177.4 0.3 . 1 . . . . 533 THR C . 7161 1 243 . 1 1 59 59 THR CA C 13 67.31 0.3 . 1 . . . . 533 THR CA . 7161 1 244 . 1 1 59 59 THR N N 15 119.5 0.2 . 1 . . . . 533 THR N . 7161 1 245 . 1 1 60 60 LEU H H 1 8.503 0.02 . 1 . . . . 534 LEU H . 7161 1 246 . 1 1 60 60 LEU C C 13 179 0.3 . 1 . . . . 534 LEU C . 7161 1 247 . 1 1 60 60 LEU CA C 13 58.86 0.3 . 1 . . . . 534 LEU CA . 7161 1 248 . 1 1 60 60 LEU CB C 13 43.05 0.3 . 1 . . . . 534 LEU CB . 7161 1 249 . 1 1 60 60 LEU N N 15 123.8 0.2 . 1 . . . . 534 LEU N . 7161 1 250 . 1 1 61 61 SER H H 1 8.471 0.02 . 1 . . . . 535 SER H . 7161 1 251 . 1 1 61 61 SER C C 13 177.9 0.3 . 1 . . . . 535 SER C . 7161 1 252 . 1 1 61 61 SER CA C 13 62.19 0.3 . 1 . . . . 535 SER CA . 7161 1 253 . 1 1 61 61 SER N N 15 114.7 0.2 . 1 . . . . 535 SER N . 7161 1 254 . 1 1 62 62 SER H H 1 7.643 0.02 . 1 . . . . 536 SER H . 7161 1 255 . 1 1 62 62 SER C C 13 180 0.3 . 5 . . . . 536 SER C . 7161 1 256 . 1 1 62 62 SER CA C 13 61.74 0.3 . 1 . . . . 536 SER CA . 7161 1 257 . 1 1 62 62 SER CB C 13 63.46 0.3 . 1 . . . . 536 SER CB . 7161 1 258 . 1 1 62 62 SER N N 15 116.8 0.2 . 1 . . . . 536 SER N . 7161 1 259 . 1 1 63 63 GLU H H 1 8.305 0.02 . 1 . . . . 537 GLU H . 7161 1 260 . 1 1 63 63 GLU C C 13 180.2 0.3 . 1 . . . . 537 GLU C . 7161 1 261 . 1 1 63 63 GLU CA C 13 59.84 0.3 . 1 . . . . 537 GLU CA . 7161 1 262 . 1 1 63 63 GLU CB C 13 29.78 0.3 . 1 . . . . 537 GLU CB . 7161 1 263 . 1 1 63 63 GLU N N 15 122.2 0.2 . 1 . . . . 537 GLU N . 7161 1 264 . 1 1 64 64 LEU H H 1 8.743 0.02 . 1 . . . . 538 LEU H . 7161 1 265 . 1 1 64 64 LEU C C 13 179.8 0.3 . 1 . . . . 538 LEU C . 7161 1 266 . 1 1 64 64 LEU CA C 13 57.35 0.3 . 1 . . . . 538 LEU CA . 7161 1 267 . 1 1 64 64 LEU CB C 13 40.51 0.3 . 1 . . . . 538 LEU CB . 7161 1 268 . 1 1 64 64 LEU N N 15 118.4 0.2 . 1 . . . . 538 LEU N . 7161 1 269 . 1 1 65 65 SER H H 1 7.822 0.02 . 1 . . . . 539 SER H . 7161 1 270 . 1 1 65 65 SER C C 13 176.9 0.3 . 1 . . . . 539 SER C . 7161 1 271 . 1 1 65 65 SER CA C 13 62.59 0.3 . 1 . . . . 539 SER CA . 7161 1 272 . 1 1 65 65 SER CB C 13 63.59 0.3 . 1 . . . . 539 SER CB . 7161 1 273 . 1 1 65 65 SER N N 15 114.2 0.2 . 1 . . . . 539 SER N . 7161 1 274 . 1 1 66 66 GLN H H 1 7.418 0.02 . 1 . . . . 540 GLN H . 7161 1 275 . 1 1 66 66 GLN C C 13 176.2 0.3 . 1 . . . . 540 GLN C . 7161 1 276 . 1 1 66 66 GLN CA C 13 57.67 0.3 . 1 . . . . 540 GLN CA . 7161 1 277 . 1 1 66 66 GLN CB C 13 29.03 0.3 . 1 . . . . 540 GLN CB . 7161 1 278 . 1 1 66 66 GLN N N 15 118 0.2 . 1 . . . . 540 GLN N . 7161 1 279 . 1 1 67 67 ALA H H 1 7.634 0.02 . 1 . . . . 541 ALA H . 7161 1 280 . 1 1 67 67 ALA C C 13 176.1 0.3 . 1 . . . . 541 ALA C . 7161 1 281 . 1 1 67 67 ALA CA C 13 51.17 0.3 . 1 . . . . 541 ALA CA . 7161 1 282 . 1 1 67 67 ALA CB C 13 20.36 0.3 . 1 . . . . 541 ALA CB . 7161 1 283 . 1 1 67 67 ALA N N 15 120.2 0.2 . 1 . . . . 541 ALA N . 7161 1 284 . 1 1 68 68 ARG H H 1 7.369 0.02 . 1 . . . . 542 ARG H . 7161 1 285 . 1 1 68 68 ARG C C 13 175.4 0.3 . 1 . . . . 542 ARG C . 7161 1 286 . 1 1 68 68 ARG CA C 13 56.92 0.3 . 1 . . . . 542 ARG CA . 7161 1 287 . 1 1 68 68 ARG CB C 13 31.49 0.3 . 1 . . . . 542 ARG CB . 7161 1 288 . 1 1 68 68 ARG N N 15 121.9 0.2 . 1 . . . . 542 ARG N . 7161 1 289 . 1 1 69 69 ASP H H 1 8.332 0.02 . 1 . . . . 543 ASP H . 7161 1 290 . 1 1 69 69 ASP C C 13 177.5 0.3 . 1 . . . . 543 ASP C . 7161 1 291 . 1 1 69 69 ASP CA C 13 52.8 0.3 . 1 . . . . 543 ASP CA . 7161 1 292 . 1 1 69 69 ASP CB C 13 40.99 0.3 . 1 . . . . 543 ASP CB . 7161 1 293 . 1 1 69 69 ASP N N 15 124.7 0.2 . 1 . . . . 543 ASP N . 7161 1 294 . 1 1 70 70 GLU H H 1 9.095 0.02 . 1 . . . . 544 GLU H . 7161 1 295 . 1 1 70 70 GLU C C 13 177.9 0.3 . 1 . . . . 544 GLU C . 7161 1 296 . 1 1 70 70 GLU CA C 13 58.84 0.3 . 1 . . . . 544 GLU CA . 7161 1 297 . 1 1 70 70 GLU CB C 13 29.48 0.3 . 1 . . . . 544 GLU CB . 7161 1 298 . 1 1 70 70 GLU N N 15 126 0.2 . 1 . . . . 544 GLU N . 7161 1 299 . 1 1 71 71 ASN H H 1 8.535 0.02 . 1 . . . . 545 ASN H . 7161 1 300 . 1 1 71 71 ASN C C 13 176.2 0.3 . 1 . . . . 545 ASN C . 7161 1 301 . 1 1 71 71 ASN CA C 13 54.84 0.3 . 1 . . . . 545 ASN CA . 7161 1 302 . 1 1 71 71 ASN CB C 13 38.81 0.3 . 1 . . . . 545 ASN CB . 7161 1 303 . 1 1 71 71 ASN N N 15 115.9 0.2 . 1 . . . . 545 ASN N . 7161 1 304 . 1 1 72 72 LYS H H 1 7.615 0.02 . 1 . . . . 546 LYS H . 7161 1 305 . 1 1 72 72 LYS C C 13 176 0.3 . 1 . . . . 546 LYS C . 7161 1 306 . 1 1 72 72 LYS CA C 13 55.34 0.3 . 1 . . . . 546 LYS CA . 7161 1 307 . 1 1 72 72 LYS CB C 13 33.07 0.3 . 1 . . . . 546 LYS CB . 7161 1 308 . 1 1 72 72 LYS N N 15 118.8 0.2 . 1 . . . . 546 LYS N . 7161 1 309 . 1 1 73 73 ARG H H 1 7.349 0.02 . 1 . . . . 547 ARG H . 7161 1 310 . 1 1 73 73 ARG C C 13 176.4 0.3 . 1 . . . . 547 ARG C . 7161 1 311 . 1 1 73 73 ARG CA C 13 57.33 0.3 . 1 . . . . 547 ARG CA . 7161 1 312 . 1 1 73 73 ARG CB C 13 31.42 0.3 . 1 . . . . 547 ARG CB . 7161 1 313 . 1 1 73 73 ARG N N 15 121 0.2 . 1 . . . . 547 ARG N . 7161 1 314 . 1 1 74 74 THR H H 1 9.441 0.02 . 1 . . . . 548 THR H . 7161 1 315 . 1 1 74 74 THR CA C 13 60.57 0.3 . 1 . . . . 548 THR CA . 7161 1 316 . 1 1 74 74 THR CB C 13 72.53 0.3 . 1 . . . . 548 THR CB . 7161 1 317 . 1 1 74 74 THR N N 15 115.5 0.2 . 1 . . . . 548 THR N . 7161 1 318 . 1 1 75 75 HIS H H 1 9.091 0.02 . 1 . . . . 549 HIS H . 7161 1 319 . 1 1 75 75 HIS C C 13 177 0.3 . 1 . . . . 549 HIS C . 7161 1 320 . 1 1 75 75 HIS CA C 13 59.84 0.3 . 1 . . . . 549 HIS CA . 7161 1 321 . 1 1 75 75 HIS N N 15 120.9 0.2 . 1 . . . . 549 HIS N . 7161 1 322 . 1 1 76 76 ASN H H 1 8.367 0.02 . 1 . . . . 550 ASN H . 7161 1 323 . 1 1 76 76 ASN C C 13 176.9 0.3 . 1 . . . . 550 ASN C . 7161 1 324 . 1 1 76 76 ASN CA C 13 55.31 0.3 . 1 . . . . 550 ASN CA . 7161 1 325 . 1 1 76 76 ASN CB C 13 37.86 0.3 . 1 . . . . 550 ASN CB . 7161 1 326 . 1 1 76 76 ASN N N 15 116.1 0.2 . 1 . . . . 550 ASN N . 7161 1 327 . 1 1 77 77 ASP H H 1 7.378 0.02 . 1 . . . . 551 ASP H . 7161 1 328 . 1 1 77 77 ASP C C 13 178.3 0.3 . 1 . . . . 551 ASP C . 7161 1 329 . 1 1 77 77 ASP CA C 13 57.72 0.3 . 1 . . . . 551 ASP CA . 7161 1 330 . 1 1 77 77 ASP CB C 13 41.81 0.3 . 1 . . . . 551 ASP CB . 7161 1 331 . 1 1 77 77 ASP N N 15 119.5 0.2 . 1 . . . . 551 ASP N . 7161 1 332 . 1 1 78 78 ILE H H 1 7.61 0.02 . 1 . . . . 552 ILE H . 7161 1 333 . 1 1 78 78 ILE C C 13 179.2 0.3 . 1 . . . . 552 ILE C . 7161 1 334 . 1 1 78 78 ILE CA C 13 65.27 0.3 . 1 . . . . 552 ILE CA . 7161 1 335 . 1 1 78 78 ILE CB C 13 37.95 0.3 . 1 . . . . 552 ILE CB . 7161 1 336 . 1 1 78 78 ILE N N 15 121.2 0.2 . 1 . . . . 552 ILE N . 7161 1 337 . 1 1 79 79 ILE H H 1 7.8 0.02 . 1 . . . . 553 ILE H . 7161 1 338 . 1 1 79 79 ILE C C 13 178.3 0.3 . 1 . . . . 553 ILE C . 7161 1 339 . 1 1 79 79 ILE CA C 13 64.63 0.3 . 1 . . . . 553 ILE CA . 7161 1 340 . 1 1 79 79 ILE CB C 13 37.95 0.3 . 1 . . . . 553 ILE CB . 7161 1 341 . 1 1 79 79 ILE N N 15 121.6 0.2 . 1 . . . . 553 ILE N . 7161 1 342 . 1 1 80 80 HIS H H 1 8.519 0.02 . 1 . . . . 554 HIS H . 7161 1 343 . 1 1 80 80 HIS C C 13 177.2 0.3 . 1 . . . . 554 HIS C . 7161 1 344 . 1 1 80 80 HIS CA C 13 60.16 0.3 . 1 . . . . 554 HIS CA . 7161 1 345 . 1 1 80 80 HIS CB C 13 29.2 0.3 . 1 . . . . 554 HIS CB . 7161 1 346 . 1 1 80 80 HIS N N 15 118.2 0.2 . 1 . . . . 554 HIS N . 7161 1 347 . 1 1 81 81 ASN H H 1 8.613 0.02 . 1 . . . . 555 ASN H . 7161 1 348 . 1 1 81 81 ASN C C 13 174.2 0.3 . 1 . . . . 555 ASN C . 7161 1 349 . 1 1 81 81 ASN CA C 13 56.65 0.3 . 1 . . . . 555 ASN CA . 7161 1 350 . 1 1 81 81 ASN CB C 13 38.34 0.3 . 1 . . . . 555 ASN CB . 7161 1 351 . 1 1 81 81 ASN N N 15 117.7 0.2 . 1 . . . . 555 ASN N . 7161 1 352 . 1 1 82 82 GLU H H 1 8.03 0.02 . 1 . . . . 556 GLU H . 7161 1 353 . 1 1 82 82 GLU C C 13 178.8 0.3 . 1 . . . . 556 GLU C . 7161 1 354 . 1 1 82 82 GLU CA C 13 59.02 0.3 . 1 . . . . 556 GLU CA . 7161 1 355 . 1 1 82 82 GLU CB C 13 28.63 0.3 . 1 . . . . 556 GLU CB . 7161 1 356 . 1 1 82 82 GLU N N 15 122.7 0.2 . 1 . . . . 556 GLU N . 7161 1 357 . 1 1 83 83 ASN H H 1 8.38 0.02 . 1 . . . . 557 ASN H . 7161 1 358 . 1 1 83 83 ASN C C 13 178.7 0.3 . 1 . . . . 557 ASN C . 7161 1 359 . 1 1 83 83 ASN CA C 13 56.48 0.3 . 1 . . . . 557 ASN CA . 7161 1 360 . 1 1 83 83 ASN CB C 13 37.17 0.3 . 1 . . . . 557 ASN CB . 7161 1 361 . 1 1 83 83 ASN N N 15 120 0.2 . 1 . . . . 557 ASN N . 7161 1 362 . 1 1 84 84 MET H H 1 8.247 0.02 . 1 . . . . 558 MET H . 7161 1 363 . 1 1 84 84 MET C C 13 180.9 0.3 . 1 . . . . 558 MET C . 7161 1 364 . 1 1 84 84 MET CA C 13 57.85 0.3 . 1 . . . . 558 MET CA . 7161 1 365 . 1 1 84 84 MET CB C 13 33.3 0.3 . 1 . . . . 558 MET CB . 7161 1 366 . 1 1 84 84 MET N N 15 119.6 0.2 . 1 . . . . 558 MET N . 7161 1 367 . 1 1 85 85 ARG H H 1 8.149 0.02 . 1 . . . . 559 ARG H . 7161 1 368 . 1 1 85 85 ARG C C 13 178.4 0.3 . 1 . . . . 559 ARG C . 7161 1 369 . 1 1 85 85 ARG CA C 13 59.6 0.3 . 1 . . . . 559 ARG CA . 7161 1 370 . 1 1 85 85 ARG CB C 13 29.93 0.3 . 1 . . . . 559 ARG CB . 7161 1 371 . 1 1 85 85 ARG N N 15 123.4 0.2 . 1 . . . . 559 ARG N . 7161 1 372 . 1 1 86 86 GLN H H 1 7.477 0.02 . 1 . . . . 560 GLN H . 7161 1 373 . 1 1 86 86 GLN C C 13 176.2 0.3 . 1 . . . . 560 GLN C . 7161 1 374 . 1 1 86 86 GLN CA C 13 55.81 0.3 . 1 . . . . 560 GLN CA . 7161 1 375 . 1 1 86 86 GLN CB C 13 29.82 0.3 . 1 . . . . 560 GLN CB . 7161 1 376 . 1 1 86 86 GLN N N 15 115.1 0.2 . 1 . . . . 560 GLN N . 7161 1 377 . 1 1 87 87 GLY H H 1 7.888 0.02 . 1 . . . . 561 GLY H . 7161 1 378 . 1 1 87 87 GLY C C 13 175.1 0.3 . 1 . . . . 561 GLY C . 7161 1 379 . 1 1 87 87 GLY CA C 13 46.62 0.3 . 1 . . . . 561 GLY CA . 7161 1 380 . 1 1 87 87 GLY N N 15 109.4 0.2 . 1 . . . . 561 GLY N . 7161 1 381 . 1 1 88 88 ARG H H 1 8.046 0.02 . 1 . . . . 562 ARG H . 7161 1 382 . 1 1 88 88 ARG C C 13 175.6 0.3 . 1 . . . . 562 ARG C . 7161 1 383 . 1 1 88 88 ARG CA C 13 56.45 0.3 . 1 . . . . 562 ARG CA . 7161 1 384 . 1 1 88 88 ARG CB C 13 30.44 0.3 . 1 . . . . 562 ARG CB . 7161 1 385 . 1 1 88 88 ARG N N 15 119.6 0.2 . 1 . . . . 562 ARG N . 7161 1 386 . 1 1 89 89 ASP H H 1 7.029 0.02 . 1 . . . . 563 ASP H . 7161 1 387 . 1 1 89 89 ASP C C 13 176.2 0.3 . 1 . . . . 563 ASP C . 7161 1 388 . 1 1 89 89 ASP CA C 13 53.85 0.3 . 1 . . . . 563 ASP CA . 7161 1 389 . 1 1 89 89 ASP CB C 13 42.78 0.3 . 1 . . . . 563 ASP CB . 7161 1 390 . 1 1 89 89 ASP N N 15 118.2 0.2 . 1 . . . . 563 ASP N . 7161 1 391 . 1 1 90 90 LYS H H 1 8.835 0.02 . 1 . . . . 564 LYS H . 7161 1 392 . 1 1 90 90 LYS C C 13 177.9 0.3 . 1 . . . . 564 LYS C . 7161 1 393 . 1 1 90 90 LYS CA C 13 60.54 0.3 . 1 . . . . 564 LYS CA . 7161 1 394 . 1 1 90 90 LYS CB C 13 34.23 0.3 . 1 . . . . 564 LYS CB . 7161 1 395 . 1 1 90 90 LYS N N 15 119.4 0.2 . 1 . . . . 564 LYS N . 7161 1 396 . 1 1 91 91 TYR H H 1 8.659 0.02 . 1 . . . . 565 TYR H . 7161 1 397 . 1 1 91 91 TYR CA C 13 60.25 0.3 . 1 . . . . 565 TYR CA . 7161 1 398 . 1 1 91 91 TYR N N 15 121.8 0.2 . 1 . . . . 565 TYR N . 7161 1 399 . 1 1 92 92 LYS H H 1 7.443 0.02 . 1 . . . . 566 LYS H . 7161 1 400 . 1 1 92 92 LYS C C 13 181.1 0.3 . 1 . . . . 566 LYS C . 7161 1 401 . 1 1 92 92 LYS CA C 13 60.21 0.3 . 1 . . . . 566 LYS CA . 7161 1 402 . 1 1 92 92 LYS N N 15 119.3 0.2 . 1 . . . . 566 LYS N . 7161 1 403 . 1 1 93 93 THR H H 1 8.329 0.02 . 1 . . . . 567 THR H . 7161 1 404 . 1 1 93 93 THR C C 13 175.2 0.3 . 1 . . . . 567 THR C . 7161 1 405 . 1 1 93 93 THR CA C 13 67.21 0.3 . 1 . . . . 567 THR CA . 7161 1 406 . 1 1 93 93 THR N N 15 116.9 0.2 . 1 . . . . 567 THR N . 7161 1 407 . 1 1 94 94 LEU H H 1 7.354 0.02 . 1 . . . . 568 LEU H . 7161 1 408 . 1 1 94 94 LEU C C 13 177.7 0.3 . 1 . . . . 568 LEU C . 7161 1 409 . 1 1 94 94 LEU CA C 13 58.1 0.3 . 1 . . . . 568 LEU CA . 7161 1 410 . 1 1 94 94 LEU CB C 13 42.41 0.3 . 1 . . . . 568 LEU CB . 7161 1 411 . 1 1 94 94 LEU N N 15 122.2 0.2 . 1 . . . . 568 LEU N . 7161 1 412 . 1 1 95 95 ARG H H 1 7.667 0.02 . 1 . . . . 569 ARG H . 7161 1 413 . 1 1 95 95 ARG C C 13 179.3 0.3 . 1 . . . . 569 ARG C . 7161 1 414 . 1 1 95 95 ARG CA C 13 59.79 0.3 . 1 . . . . 569 ARG CA . 7161 1 415 . 1 1 95 95 ARG CB C 13 30.44 0.3 . 1 . . . . 569 ARG CB . 7161 1 416 . 1 1 95 95 ARG N N 15 115.1 0.2 . 1 . . . . 569 ARG N . 7161 1 417 . 1 1 96 96 GLN H H 1 7.641 0.02 . 1 . . . . 570 GLN H . 7161 1 418 . 1 1 96 96 GLN C C 13 179.8 0.3 . 1 . . . . 570 GLN C . 7161 1 419 . 1 1 96 96 GLN CA C 13 59.25 0.3 . 1 . . . . 570 GLN CA . 7161 1 420 . 1 1 96 96 GLN CB C 13 28.77 0.3 . 1 . . . . 570 GLN CB . 7161 1 421 . 1 1 96 96 GLN N N 15 118.5 0.2 . 1 . . . . 570 GLN N . 7161 1 422 . 1 1 97 97 ILE H H 1 8.329 0.02 . 1 . . . . 571 ILE H . 7161 1 423 . 1 1 97 97 ILE C C 13 176.9 0.3 . 1 . . . . 571 ILE C . 7161 1 424 . 1 1 97 97 ILE CA C 13 63.96 0.3 . 1 . . . . 571 ILE CA . 7161 1 425 . 1 1 97 97 ILE CB C 13 36.84 0.3 . 1 . . . . 571 ILE CB . 7161 1 426 . 1 1 97 97 ILE N N 15 112.3 0.2 . 1 . . . . 571 ILE N . 7161 1 427 . 1 1 98 98 ARG H H 1 6.829 0.02 . 1 . . . . 572 ARG H . 7161 1 428 . 1 1 98 98 ARG C C 13 175.2 0.3 . 1 . . . . 572 ARG C . 7161 1 429 . 1 1 98 98 ARG CA C 13 55.76 0.3 . 1 . . . . 572 ARG CA . 7161 1 430 . 1 1 98 98 ARG CB C 13 31.74 0.3 . 1 . . . . 572 ARG CB . 7161 1 431 . 1 1 98 98 ARG N N 15 120 0.2 . 1 . . . . 572 ARG N . 7161 1 432 . 1 1 99 99 GLN H H 1 6.968 0.02 . 1 . . . . 573 GLN H . 7161 1 433 . 1 1 99 99 GLN C C 13 177.6 0.3 . 1 . . . . 573 GLN C . 7161 1 434 . 1 1 99 99 GLN CA C 13 57.17 0.3 . 1 . . . . 573 GLN CA . 7161 1 435 . 1 1 99 99 GLN CB C 13 30.12 0.3 . 1 . . . . 573 GLN CB . 7161 1 436 . 1 1 99 99 GLN N N 15 117.7 0.2 . 1 . . . . 573 GLN N . 7161 1 437 . 1 1 100 100 GLY H H 1 8.187 0.02 . 1 . . . . 574 GLY H . 7161 1 438 . 1 1 100 100 GLY C C 13 174.5 0.3 . 1 . . . . 574 GLY C . 7161 1 439 . 1 1 100 100 GLY CA C 13 44.33 0.3 . 1 . . . . 574 GLY CA . 7161 1 440 . 1 1 100 100 GLY N N 15 108 0.2 . 1 . . . . 574 GLY N . 7161 1 441 . 1 1 101 101 ASN H H 1 8.543 0.02 . 1 . . . . 575 ASN H . 7161 1 442 . 1 1 101 101 ASN C C 13 175.3 0.3 . 1 . . . . 575 ASN C . 7161 1 443 . 1 1 101 101 ASN CA C 13 52.89 0.3 . 1 . . . . 575 ASN CA . 7161 1 444 . 1 1 101 101 ASN CB C 13 39.07 0.3 . 1 . . . . 575 ASN CB . 7161 1 445 . 1 1 101 101 ASN N N 15 118.6 0.2 . 1 . . . . 575 ASN N . 7161 1 446 . 1 1 102 102 THR H H 1 8.557 0.02 . 1 . . . . 576 THR H . 7161 1 447 . 1 1 102 102 THR C C 13 176.2 0.3 . 1 . . . . 576 THR C . 7161 1 448 . 1 1 102 102 THR CA C 13 68.57 0.3 . 1 . . . . 576 THR CA . 7161 1 449 . 1 1 102 102 THR N N 15 116 0.2 . 1 . . . . 576 THR N . 7161 1 450 . 1 1 103 103 LYS H H 1 8.69 0.02 . 1 . . . . 577 LYS H . 7161 1 451 . 1 1 103 103 LYS C C 13 176.9 0.3 . 1 . . . . 577 LYS C . 7161 1 452 . 1 1 103 103 LYS CA C 13 60.95 0.3 . 1 . . . . 577 LYS CA . 7161 1 453 . 1 1 103 103 LYS CB C 13 32.4 0.3 . 1 . . . . 577 LYS CB . 7161 1 454 . 1 1 103 103 LYS N N 15 120.3 0.2 . 1 . . . . 577 LYS N . 7161 1 455 . 1 1 104 104 GLN H H 1 8.159 0.02 . 1 . . . . 578 GLN H . 7161 1 456 . 1 1 104 104 GLN C C 13 179.7 0.3 . 1 . . . . 578 GLN C . 7161 1 457 . 1 1 104 104 GLN CA C 13 59.58 0.3 . 1 . . . . 578 GLN CA . 7161 1 458 . 1 1 104 104 GLN CB C 13 28.61 0.3 . 1 . . . . 578 GLN CB . 7161 1 459 . 1 1 104 104 GLN N N 15 118.4 0.2 . 1 . . . . 578 GLN N . 7161 1 460 . 1 1 105 105 ARG H H 1 7.56 0.02 . 1 . . . . 579 ARG H . 7161 1 461 . 1 1 105 105 ARG C C 13 178.5 0.3 . 1 . . . . 579 ARG C . 7161 1 462 . 1 1 105 105 ARG CA C 13 60.47 0.3 . 1 . . . . 579 ARG CA . 7161 1 463 . 1 1 105 105 ARG CB C 13 31.19 0.3 . 1 . . . . 579 ARG CB . 7161 1 464 . 1 1 105 105 ARG N N 15 119.2 0.2 . 1 . . . . 579 ARG N . 7161 1 465 . 1 1 106 106 ILE H H 1 8.549 0.02 . 1 . . . . 580 ILE H . 7161 1 466 . 1 1 106 106 ILE C C 13 178.2 0.3 . 1 . . . . 580 ILE C . 7161 1 467 . 1 1 106 106 ILE CA C 13 66.69 0.3 . 1 . . . . 580 ILE CA . 7161 1 468 . 1 1 106 106 ILE CB C 13 37.97 0.3 . 1 . . . . 580 ILE CB . 7161 1 469 . 1 1 106 106 ILE N N 15 122.9 0.2 . 1 . . . . 580 ILE N . 7161 1 470 . 1 1 107 107 ASP H H 1 9.056 0.02 . 1 . . . . 581 ASP H . 7161 1 471 . 1 1 107 107 ASP C C 13 180.7 0.3 . 1 . . . . 581 ASP C . 7161 1 472 . 1 1 107 107 ASP CA C 13 58.03 0.3 . 1 . . . . 581 ASP CA . 7161 1 473 . 1 1 107 107 ASP CB C 13 39.58 0.3 . 1 . . . . 581 ASP CB . 7161 1 474 . 1 1 107 107 ASP N N 15 121.6 0.2 . 1 . . . . 581 ASP N . 7161 1 475 . 1 1 108 108 GLU H H 1 8.164 0.02 . 1 . . . . 582 GLU H . 7161 1 476 . 1 1 108 108 GLU C C 13 179.1 0.3 . 1 . . . . 582 GLU C . 7161 1 477 . 1 1 108 108 GLU CA C 13 59.31 0.3 . 1 . . . . 582 GLU CA . 7161 1 478 . 1 1 108 108 GLU CB C 13 28.72 0.3 . 1 . . . . 582 GLU CB . 7161 1 479 . 1 1 108 108 GLU N N 15 121 0.2 . 1 . . . . 582 GLU N . 7161 1 480 . 1 1 109 109 PHE H H 1 8.354 0.02 . 1 . . . . 583 PHE H . 7161 1 481 . 1 1 109 109 PHE C C 13 177.6 0.3 . 1 . . . . 583 PHE C . 7161 1 482 . 1 1 109 109 PHE CA C 13 61.05 0.3 . 1 . . . . 583 PHE CA . 7161 1 483 . 1 1 109 109 PHE N N 15 123 0.2 . 1 . . . . 583 PHE N . 7161 1 484 . 1 1 110 110 GLU H H 1 8.644 0.02 . 1 . . . . 584 GLU H . 7161 1 485 . 1 1 110 110 GLU C C 13 177.6 0.3 . 1 . . . . 584 GLU C . 7161 1 486 . 1 1 110 110 GLU CA C 13 57.88 0.3 . 1 . . . . 584 GLU CA . 7161 1 487 . 1 1 110 110 GLU CB C 13 29.37 0.3 . 1 . . . . 584 GLU CB . 7161 1 488 . 1 1 110 110 GLU N N 15 117.7 0.2 . 1 . . . . 584 GLU N . 7161 1 489 . 1 1 111 111 ALA H H 1 7.408 0.02 . 1 . . . . 585 ALA H . 7161 1 490 . 1 1 111 111 ALA C C 13 178.4 0.3 . 1 . . . . 585 ALA C . 7161 1 491 . 1 1 111 111 ALA CA C 13 52.46 0.3 . 1 . . . . 585 ALA CA . 7161 1 492 . 1 1 111 111 ALA CB C 13 19.8 0.3 . 1 . . . . 585 ALA CB . 7161 1 493 . 1 1 111 111 ALA N N 15 119.4 0.2 . 1 . . . . 585 ALA N . 7161 1 494 . 1 1 112 112 LEU H H 1 7.108 0.02 . 1 . . . . 586 LEU H . 7161 1 495 . 1 1 112 112 LEU CA C 13 58.85 0.3 . 1 . . . . 586 LEU CA . 7161 1 496 . 1 1 112 112 LEU CB C 13 42.41 0.3 . 1 . . . . 586 LEU CB . 7161 1 497 . 1 1 112 112 LEU N N 15 126.4 0.2 . 1 . . . . 586 LEU N . 7161 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 159 7161 1 1 255 7161 1 stop_ save_