data_51329 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51329 _Entry.Title ; PBRM1 Bromodomain 4 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-02-14 _Entry.Accession_date 2022-02-14 _Entry.Last_release_date 2022-02-14 _Entry.Original_release_date 2022-02-14 _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 Saumya 'De Silva' . M. . . 51329 2 Surbhi Sood . . . . 51329 3 Alisha Dhiman . . . . 51329 4 Kilsia Mercedes . F. . . 51329 5 Morkos Henen . A. . . 51329 6 Beat Vogeli . . . . 51329 7 Emily Dykhuizen . C. . . 51329 8 Catherine Musselman . A. . . 51329 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51329 spectral_peak_list 4 51329 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 340 51329 '15N chemical shifts' 100 51329 '1H chemical shifts' 100 51329 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2023-07-04 . original BMRB . 51329 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51326 'PBRM1 Bromodomain 2' 51329 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51329 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; PBRM1 BD2 and BD4 associate with RNA to facilitate chromatin association ; _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Saumya 'De Silva' . M. . . 51329 1 2 Surbhi Sood . . . . 51329 1 3 Alisha Dhiman . . . . 51329 1 4 Kilsia Mercedes . F. . . 51329 1 5 Morkos Henen . A. . . 51329 1 6 Beat Vogeli . . . . 51329 1 7 Emily Dykhuizen . C. . . 51329 1 8 Catherine Musselman . A. . . 51329 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51329 _Assembly.ID 1 _Assembly.Name 'PBRM1 Bromodomain 4' _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 'PBRM1 Bromodomain 4' 1 $entity_1 . . yes native no no . . . 51329 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51329 _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 ; MGDSMISSATSDTGSAKRKS KKNIRKQRMKILFNVVLEAR EPGSGRRLCDLFMVKPSKKD YPDYYKIILEPMDLKIIEHN IRNDKYAGEEGMIEDMKLMF RNARHYNEEGSQVYNDAHIL EKLLKEKRKELGPLPDDDDM ASPAENLYFQ ; _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 150 _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 1 495 MET . 51329 1 2 496 GLY . 51329 1 3 497 ASP . 51329 1 4 498 SER . 51329 1 5 499 MET . 51329 1 6 500 ILE . 51329 1 7 501 SER . 51329 1 8 502 SER . 51329 1 9 503 ALA . 51329 1 10 504 THR . 51329 1 11 505 SER . 51329 1 12 506 ASP . 51329 1 13 507 THR . 51329 1 14 508 GLY . 51329 1 15 509 SER . 51329 1 16 510 ALA . 51329 1 17 511 LYS . 51329 1 18 512 ARG . 51329 1 19 513 LYS . 51329 1 20 514 SER . 51329 1 21 515 LYS . 51329 1 22 516 LYS . 51329 1 23 517 ASN . 51329 1 24 518 ILE . 51329 1 25 519 ARG . 51329 1 26 520 LYS . 51329 1 27 521 GLN . 51329 1 28 522 ARG . 51329 1 29 523 MET . 51329 1 30 524 LYS . 51329 1 31 525 ILE . 51329 1 32 526 LEU . 51329 1 33 527 PHE . 51329 1 34 528 ASN . 51329 1 35 529 VAL . 51329 1 36 530 VAL . 51329 1 37 531 LEU . 51329 1 38 532 GLU . 51329 1 39 533 ALA . 51329 1 40 534 ARG . 51329 1 41 535 GLU . 51329 1 42 536 PRO . 51329 1 43 537 GLY . 51329 1 44 538 SER . 51329 1 45 539 GLY . 51329 1 46 540 ARG . 51329 1 47 541 ARG . 51329 1 48 542 LEU . 51329 1 49 543 CYS . 51329 1 50 544 ASP . 51329 1 51 545 LEU . 51329 1 52 546 PHE . 51329 1 53 547 MET . 51329 1 54 548 VAL . 51329 1 55 549 LYS . 51329 1 56 550 PRO . 51329 1 57 551 SER . 51329 1 58 552 LYS . 51329 1 59 553 LYS . 51329 1 60 554 ASP . 51329 1 61 555 TYR . 51329 1 62 556 PRO . 51329 1 63 557 ASP . 51329 1 64 558 TYR . 51329 1 65 559 TYR . 51329 1 66 560 LYS . 51329 1 67 561 ILE . 51329 1 68 562 ILE . 51329 1 69 563 LEU . 51329 1 70 564 GLU . 51329 1 71 565 PRO . 51329 1 72 566 MET . 51329 1 73 567 ASP . 51329 1 74 568 LEU . 51329 1 75 569 LYS . 51329 1 76 570 ILE . 51329 1 77 571 ILE . 51329 1 78 572 GLU . 51329 1 79 573 HIS . 51329 1 80 574 ASN . 51329 1 81 575 ILE . 51329 1 82 576 ARG . 51329 1 83 577 ASN . 51329 1 84 578 ASP . 51329 1 85 579 LYS . 51329 1 86 580 TYR . 51329 1 87 581 ALA . 51329 1 88 582 GLY . 51329 1 89 583 GLU . 51329 1 90 584 GLU . 51329 1 91 585 GLY . 51329 1 92 586 MET . 51329 1 93 587 ILE . 51329 1 94 588 GLU . 51329 1 95 589 ASP . 51329 1 96 590 MET . 51329 1 97 591 LYS . 51329 1 98 592 LEU . 51329 1 99 593 MET . 51329 1 100 594 PHE . 51329 1 101 595 ARG . 51329 1 102 596 ASN . 51329 1 103 597 ALA . 51329 1 104 598 ARG . 51329 1 105 599 HIS . 51329 1 106 600 TYR . 51329 1 107 601 ASN . 51329 1 108 602 GLU . 51329 1 109 603 GLU . 51329 1 110 604 GLY . 51329 1 111 605 SER . 51329 1 112 606 GLN . 51329 1 113 607 VAL . 51329 1 114 608 TYR . 51329 1 115 609 ASN . 51329 1 116 610 ASP . 51329 1 117 611 ALA . 51329 1 118 612 HIS . 51329 1 119 613 ILE . 51329 1 120 614 LEU . 51329 1 121 615 GLU . 51329 1 122 616 LYS . 51329 1 123 617 LEU . 51329 1 124 618 LEU . 51329 1 125 619 LYS . 51329 1 126 620 GLU . 51329 1 127 621 LYS . 51329 1 128 622 ARG . 51329 1 129 623 LYS . 51329 1 130 624 GLU . 51329 1 131 625 LEU . 51329 1 132 626 GLY . 51329 1 133 627 PRO . 51329 1 134 628 LEU . 51329 1 135 629 PRO . 51329 1 136 630 ASP . 51329 1 137 631 ASP . 51329 1 138 632 ASP . 51329 1 139 633 ASP . 51329 1 140 634 MET . 51329 1 141 635 ALA . 51329 1 142 636 SER . 51329 1 143 637 PRO . 51329 1 144 638 ALA . 51329 1 145 639 GLU . 51329 1 146 640 ASN . 51329 1 147 641 LEU . 51329 1 148 642 TYR . 51329 1 149 643 PHE . 51329 1 150 644 GLN . 51329 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 51329 1 . GLY 2 2 51329 1 . ASP 3 3 51329 1 . SER 4 4 51329 1 . MET 5 5 51329 1 . ILE 6 6 51329 1 . SER 7 7 51329 1 . SER 8 8 51329 1 . ALA 9 9 51329 1 . THR 10 10 51329 1 . SER 11 11 51329 1 . ASP 12 12 51329 1 . THR 13 13 51329 1 . GLY 14 14 51329 1 . SER 15 15 51329 1 . ALA 16 16 51329 1 . LYS 17 17 51329 1 . ARG 18 18 51329 1 . LYS 19 19 51329 1 . SER 20 20 51329 1 . LYS 21 21 51329 1 . LYS 22 22 51329 1 . ASN 23 23 51329 1 . ILE 24 24 51329 1 . ARG 25 25 51329 1 . LYS 26 26 51329 1 . GLN 27 27 51329 1 . ARG 28 28 51329 1 . MET 29 29 51329 1 . LYS 30 30 51329 1 . ILE 31 31 51329 1 . LEU 32 32 51329 1 . PHE 33 33 51329 1 . ASN 34 34 51329 1 . VAL 35 35 51329 1 . VAL 36 36 51329 1 . LEU 37 37 51329 1 . GLU 38 38 51329 1 . ALA 39 39 51329 1 . ARG 40 40 51329 1 . GLU 41 41 51329 1 . PRO 42 42 51329 1 . GLY 43 43 51329 1 . SER 44 44 51329 1 . GLY 45 45 51329 1 . ARG 46 46 51329 1 . ARG 47 47 51329 1 . LEU 48 48 51329 1 . CYS 49 49 51329 1 . ASP 50 50 51329 1 . LEU 51 51 51329 1 . PHE 52 52 51329 1 . MET 53 53 51329 1 . VAL 54 54 51329 1 . LYS 55 55 51329 1 . PRO 56 56 51329 1 . SER 57 57 51329 1 . LYS 58 58 51329 1 . LYS 59 59 51329 1 . ASP 60 60 51329 1 . TYR 61 61 51329 1 . PRO 62 62 51329 1 . ASP 63 63 51329 1 . TYR 64 64 51329 1 . TYR 65 65 51329 1 . LYS 66 66 51329 1 . ILE 67 67 51329 1 . ILE 68 68 51329 1 . LEU 69 69 51329 1 . GLU 70 70 51329 1 . PRO 71 71 51329 1 . MET 72 72 51329 1 . ASP 73 73 51329 1 . LEU 74 74 51329 1 . LYS 75 75 51329 1 . ILE 76 76 51329 1 . ILE 77 77 51329 1 . GLU 78 78 51329 1 . HIS 79 79 51329 1 . ASN 80 80 51329 1 . ILE 81 81 51329 1 . ARG 82 82 51329 1 . ASN 83 83 51329 1 . ASP 84 84 51329 1 . LYS 85 85 51329 1 . TYR 86 86 51329 1 . ALA 87 87 51329 1 . GLY 88 88 51329 1 . GLU 89 89 51329 1 . GLU 90 90 51329 1 . GLY 91 91 51329 1 . MET 92 92 51329 1 . ILE 93 93 51329 1 . GLU 94 94 51329 1 . ASP 95 95 51329 1 . MET 96 96 51329 1 . LYS 97 97 51329 1 . LEU 98 98 51329 1 . MET 99 99 51329 1 . PHE 100 100 51329 1 . ARG 101 101 51329 1 . ASN 102 102 51329 1 . ALA 103 103 51329 1 . ARG 104 104 51329 1 . HIS 105 105 51329 1 . TYR 106 106 51329 1 . ASN 107 107 51329 1 . GLU 108 108 51329 1 . GLU 109 109 51329 1 . GLY 110 110 51329 1 . SER 111 111 51329 1 . GLN 112 112 51329 1 . VAL 113 113 51329 1 . TYR 114 114 51329 1 . ASN 115 115 51329 1 . ASP 116 116 51329 1 . ALA 117 117 51329 1 . HIS 118 118 51329 1 . ILE 119 119 51329 1 . LEU 120 120 51329 1 . GLU 121 121 51329 1 . LYS 122 122 51329 1 . LEU 123 123 51329 1 . LEU 124 124 51329 1 . LYS 125 125 51329 1 . GLU 126 126 51329 1 . LYS 127 127 51329 1 . ARG 128 128 51329 1 . LYS 129 129 51329 1 . GLU 130 130 51329 1 . LEU 131 131 51329 1 . GLY 132 132 51329 1 . PRO 133 133 51329 1 . LEU 134 134 51329 1 . PRO 135 135 51329 1 . ASP 136 136 51329 1 . ASP 137 137 51329 1 . ASP 138 138 51329 1 . ASP 139 139 51329 1 . MET 140 140 51329 1 . ALA 141 141 51329 1 . SER 142 142 51329 1 . PRO 143 143 51329 1 . ALA 144 144 51329 1 . GLU 145 145 51329 1 . ASN 146 146 51329 1 . LEU 147 147 51329 1 . TYR 148 148 51329 1 . PHE 149 149 51329 1 . GLN 150 150 51329 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 51329 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 51329 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 51329 _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 . . . plasmid . . pNIC-CTHF . . . 51329 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51329 _Sample.ID 1 _Sample.Name 'PBRM1 Bromodomain 4' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'PBRM1 Bromodomain 4' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 51329 1 2 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 51329 1 3 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 51329 1 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 51329 1 5 EDTA 'natural abundance' . . . . . . 2 . . mM . . . . 51329 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 51329 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'PBRM1 Bromodomain 4 sample conditions' _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' 50 . mM 51329 1 pH 7.0 . pH 51329 1 pressure 1 . atm 51329 1 temperature 298 . K 51329 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51329 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version 2.5.2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51329 1 'peak picking' . 51329 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51329 _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 'peak picking' . 51329 2 processing . 51329 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51329 _Software.ID 3 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.0.6 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51329 3 'data analysis' . 51329 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 51329 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 500' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance II' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 51329 _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 . . . . . . . . . . . . . . . . . 51329 1 2 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51329 1 3 '3D HNCOCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51329 1 4 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51329 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 51329 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'PBRM1 Bromodomain 4' _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 'methyl carbons' . . . . ppm 0 na direct 1 . . . . . 51329 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 51329 1 N 15 na nitrogen . . . . ppm 0 na direct 1 . . . . . 51329 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 51329 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'PBRM1 Bromodomain 4 chemical shifts list' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _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' . . . 51329 1 2 '3D HNCACB' . . . 51329 1 3 '3D HNCOCACB' . . . 51329 1 4 '3D HNCO' . . . 51329 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51329 1 2 $software_2 . . 51329 1 3 $software_3 . . 51329 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 4 4 SER C C 13 178.476 0.000 . . . . . . . 498 S C . 51329 1 2 . 1 . 1 4 4 SER CA C 13 58.621 0.026 . . . . . . . 498 S CA . 51329 1 3 . 1 . 1 4 4 SER CB C 13 63.656 0.042 . . . . . . . 498 S CB . 51329 1 4 . 1 . 1 5 5 MET H H 1 8.500 0.004 . . . . . . . 499 M HN . 51329 1 5 . 1 . 1 5 5 MET C C 13 176.837 0.000 . . . . . . . 499 M C . 51329 1 6 . 1 . 1 5 5 MET CA C 13 55.807 0.066 . . . . . . . 499 M CA . 51329 1 7 . 1 . 1 5 5 MET CB C 13 32.663 0.044 . . . . . . . 499 M CB . 51329 1 8 . 1 . 1 5 5 MET N N 15 122.234 0.027 . . . . . . . 499 M N . 51329 1 9 . 1 . 1 6 6 ILE H H 1 8.092 0.004 . . . . . . . 500 I HN . 51329 1 10 . 1 . 1 6 6 ILE C C 13 176.798 0.000 . . . . . . . 500 I C . 51329 1 11 . 1 . 1 6 6 ILE CA C 13 61.373 0.059 . . . . . . . 500 I CA . 51329 1 12 . 1 . 1 6 6 ILE CB C 13 38.668 0.036 . . . . . . . 500 I CB . 51329 1 13 . 1 . 1 6 6 ILE N N 15 121.712 0.009 . . . . . . . 500 I N . 51329 1 14 . 1 . 1 7 7 SER H H 1 8.379 0.004 . . . . . . . 501 S HN . 51329 1 15 . 1 . 1 7 7 SER CA C 13 58.299 0.000 . . . . . . . 501 S CA . 51329 1 16 . 1 . 1 7 7 SER CB C 13 64.056 0.000 . . . . . . . 501 S CB . 51329 1 17 . 1 . 1 7 7 SER N N 15 119.904 0.017 . . . . . . . 501 S N . 51329 1 18 . 1 . 1 8 8 SER C C 13 178.672 0.000 . . . . . . . 502 S C . 51329 1 19 . 1 . 1 8 8 SER CA C 13 58.357 0.048 . . . . . . . 502 S CA . 51329 1 20 . 1 . 1 8 8 SER CB C 13 63.851 0.022 . . . . . . . 502 S CB . 51329 1 21 . 1 . 1 9 9 ALA H H 1 8.352 0.003 . . . . . . . 503 A HN . 51329 1 22 . 1 . 1 9 9 ALA C C 13 175.030 0.000 . . . . . . . 503 A C . 51329 1 23 . 1 . 1 9 9 ALA CA C 13 52.973 0.031 . . . . . . . 503 A CA . 51329 1 24 . 1 . 1 9 9 ALA CB C 13 19.274 0.097 . . . . . . . 503 A CB . 51329 1 25 . 1 . 1 9 9 ALA N N 15 125.829 0.002 . . . . . . . 503 A N . 51329 1 26 . 1 . 1 10 10 THR H H 1 8.096 0.008 . . . . . . . 504 T HN . 51329 1 27 . 1 . 1 10 10 THR C C 13 178.357 0.000 . . . . . . . 504 T C . 51329 1 28 . 1 . 1 10 10 THR CA C 13 61.775 0.000 . . . . . . . 504 T CA . 51329 1 29 . 1 . 1 10 10 THR CB C 13 69.772 0.043 . . . . . . . 504 T CB . 51329 1 30 . 1 . 1 10 10 THR N N 15 112.526 0.029 . . . . . . . 504 T N . 51329 1 31 . 1 . 1 11 11 SER H H 1 8.240 0.008 . . . . . . . 505 S HN . 51329 1 32 . 1 . 1 11 11 SER C C 13 178.857 0.000 . . . . . . . 505 S C . 51329 1 33 . 1 . 1 11 11 SER CA C 13 58.436 0.077 . . . . . . . 505 S CA . 51329 1 34 . 1 . 1 11 11 SER CB C 13 64.138 0.034 . . . . . . . 505 S CB . 51329 1 35 . 1 . 1 11 11 SER N N 15 117.710 0.005 . . . . . . . 505 S N . 51329 1 36 . 1 . 1 12 12 ASP H H 1 8.419 0.003 . . . . . . . 506 D HN . 51329 1 37 . 1 . 1 12 12 ASP C C 13 176.332 0.000 . . . . . . . 506 D C . 51329 1 38 . 1 . 1 12 12 ASP CA C 13 54.386 0.023 . . . . . . . 506 D CA . 51329 1 39 . 1 . 1 12 12 ASP CB C 13 41.177 0.044 . . . . . . . 506 D CB . 51329 1 40 . 1 . 1 12 12 ASP N N 15 122.719 0.034 . . . . . . . 506 D N . 51329 1 41 . 1 . 1 13 13 THR H H 1 8.204 0.003 . . . . . . . 507 T HN . 51329 1 42 . 1 . 1 13 13 THR C C 13 177.362 0.000 . . . . . . . 507 T C . 51329 1 43 . 1 . 1 13 13 THR CA C 13 62.541 0.061 . . . . . . . 507 T CA . 51329 1 44 . 1 . 1 13 13 THR CB C 13 69.513 0.053 . . . . . . . 507 T CB . 51329 1 45 . 1 . 1 13 13 THR N N 15 114.437 0.012 . . . . . . . 507 T N . 51329 1 46 . 1 . 1 14 14 GLY H H 1 8.521 0.003 . . . . . . . 508 G HN . 51329 1 47 . 1 . 1 14 14 GLY CA C 13 45.841 0.000 . . . . . . . 508 G CA . 51329 1 48 . 1 . 1 14 14 GLY N N 15 111.132 0.018 . . . . . . . 508 G N . 51329 1 49 . 1 . 1 15 15 SER C C 13 178.058 0.000 . . . . . . . 509 S C . 51329 1 50 . 1 . 1 15 15 SER CA C 13 58.895 0.083 . . . . . . . 509 S CA . 51329 1 51 . 1 . 1 15 15 SER CB C 13 63.609 0.016 . . . . . . . 509 S CB . 51329 1 52 . 1 . 1 16 16 ALA H H 1 8.327 0.010 . . . . . . . 510 A HN . 51329 1 53 . 1 . 1 16 16 ALA C C 13 174.594 0.000 . . . . . . . 510 A C . 51329 1 54 . 1 . 1 16 16 ALA CA C 13 53.554 0.078 . . . . . . . 510 A CA . 51329 1 55 . 1 . 1 16 16 ALA CB C 13 19.111 0.042 . . . . . . . 510 A CB . 51329 1 56 . 1 . 1 16 16 ALA N N 15 125.673 0.008 . . . . . . . 510 A N . 51329 1 57 . 1 . 1 17 17 LYS H H 1 8.148 0.002 . . . . . . . 511 K HN . 51329 1 58 . 1 . 1 17 17 LYS C C 13 175.867 0.000 . . . . . . . 511 K C . 51329 1 59 . 1 . 1 17 17 LYS CA C 13 57.061 0.043 . . . . . . . 511 K CA . 51329 1 60 . 1 . 1 17 17 LYS CB C 13 32.745 0.051 . . . . . . . 511 K CB . 51329 1 61 . 1 . 1 17 17 LYS N N 15 119.759 0.029 . . . . . . . 511 K N . 51329 1 62 . 1 . 1 18 18 ARG H H 1 8.151 0.002 . . . . . . . 512 R HN . 51329 1 63 . 1 . 1 18 18 ARG C C 13 176.155 0.000 . . . . . . . 512 R C . 51329 1 64 . 1 . 1 18 18 ARG CA C 13 56.981 0.003 . . . . . . . 512 R CA . 51329 1 65 . 1 . 1 18 18 ARG CB C 13 30.732 0.022 . . . . . . . 512 R CB . 51329 1 66 . 1 . 1 18 18 ARG N N 15 121.347 0.012 . . . . . . . 512 R N . 51329 1 67 . 1 . 1 19 19 LYS H H 1 8.342 0.001 . . . . . . . 513 K HN . 51329 1 68 . 1 . 1 19 19 LYS CA C 13 56.962 0.000 . . . . . . . 513 K CA . 51329 1 69 . 1 . 1 19 19 LYS CB C 13 33.017 0.000 . . . . . . . 513 K CB . 51329 1 70 . 1 . 1 19 19 LYS N N 15 122.268 0.017 . . . . . . . 513 K N . 51329 1 71 . 1 . 1 24 24 ILE C C 13 175.353 0.000 . . . . . . . 518 I C . 51329 1 72 . 1 . 1 24 24 ILE CA C 13 57.656 0.000 . . . . . . . 518 I CA . 51329 1 73 . 1 . 1 24 24 ILE CB C 13 43.552 0.000 . . . . . . . 518 I CB . 51329 1 74 . 1 . 1 25 25 ARG H H 1 7.109 0.005 . . . . . . . 519 R HN . 51329 1 75 . 1 . 1 25 25 ARG C C 13 173.921 0.000 . . . . . . . 519 R C . 51329 1 76 . 1 . 1 25 25 ARG CA C 13 60.283 0.063 . . . . . . . 519 R CA . 51329 1 77 . 1 . 1 25 25 ARG CB C 13 29.535 0.022 . . . . . . . 519 R CB . 51329 1 78 . 1 . 1 25 25 ARG N N 15 118.305 0.002 . . . . . . . 519 R N . 51329 1 79 . 1 . 1 26 26 LYS H H 1 7.642 0.004 . . . . . . . 520 K HN . 51329 1 80 . 1 . 1 26 26 LYS C C 13 174.063 0.000 . . . . . . . 520 K C . 51329 1 81 . 1 . 1 26 26 LYS CA C 13 59.542 0.054 . . . . . . . 520 K CA . 51329 1 82 . 1 . 1 26 26 LYS CB C 13 32.198 0.051 . . . . . . . 520 K CB . 51329 1 83 . 1 . 1 26 26 LYS N N 15 119.412 0.037 . . . . . . . 520 K N . 51329 1 84 . 1 . 1 27 27 GLN H H 1 7.736 0.004 . . . . . . . 521 Q HN . 51329 1 85 . 1 . 1 27 27 GLN C C 13 176.678 0.000 . . . . . . . 521 Q C . 51329 1 86 . 1 . 1 27 27 GLN CA C 13 58.695 0.066 . . . . . . . 521 Q CA . 51329 1 87 . 1 . 1 27 27 GLN CB C 13 29.866 0.071 . . . . . . . 521 Q CB . 51329 1 88 . 1 . 1 27 27 GLN N N 15 119.986 0.017 . . . . . . . 521 Q N . 51329 1 89 . 1 . 1 28 28 ARG H H 1 9.634 0.007 . . . . . . . 522 R HN . 51329 1 90 . 1 . 1 28 28 ARG CA C 13 60.846 0.000 . . . . . . . 522 R CA . 51329 1 91 . 1 . 1 28 28 ARG CB C 13 28.210 0.000 . . . . . . . 522 R CB . 51329 1 92 . 1 . 1 28 28 ARG N N 15 121.422 0.015 . . . . . . . 522 R N . 51329 1 93 . 1 . 1 30 30 LYS C C 13 172.440 0.000 . . . . . . . 524 K C . 51329 1 94 . 1 . 1 30 30 LYS CA C 13 59.705 0.000 . . . . . . . 524 K CA . 51329 1 95 . 1 . 1 30 30 LYS CB C 13 31.637 0.000 . . . . . . . 524 K CB . 51329 1 96 . 1 . 1 31 31 ILE H H 1 9.459 0.003 . . . . . . . 525 I HN . 51329 1 97 . 1 . 1 31 31 ILE CA C 13 65.345 0.000 . . . . . . . 525 I CA . 51329 1 98 . 1 . 1 31 31 ILE CB C 13 38.605 0.000 . . . . . . . 525 I CB . 51329 1 99 . 1 . 1 31 31 ILE N N 15 124.637 0.029 . . . . . . . 525 I N . 51329 1 100 . 1 . 1 32 32 LEU C C 13 176.064 0.000 . . . . . . . 526 L C . 51329 1 101 . 1 . 1 32 32 LEU CA C 13 57.817 0.090 . . . . . . . 526 L CA . 51329 1 102 . 1 . 1 32 32 LEU CB C 13 42.310 0.073 . . . . . . . 526 L CB . 51329 1 103 . 1 . 1 33 33 PHE H H 1 8.530 0.003 . . . . . . . 527 F HN . 51329 1 104 . 1 . 1 33 33 PHE C C 13 175.682 0.000 . . . . . . . 527 F C . 51329 1 105 . 1 . 1 33 33 PHE CA C 13 62.205 0.018 . . . . . . . 527 F CA . 51329 1 106 . 1 . 1 33 33 PHE CB C 13 40.002 0.095 . . . . . . . 527 F CB . 51329 1 107 . 1 . 1 33 33 PHE N N 15 118.998 0.012 . . . . . . . 527 F N . 51329 1 108 . 1 . 1 34 34 ASN H H 1 8.455 0.003 . . . . . . . 528 N HN . 51329 1 109 . 1 . 1 34 34 ASN C C 13 175.722 0.000 . . . . . . . 528 N C . 51329 1 110 . 1 . 1 34 34 ASN CA C 13 55.998 0.048 . . . . . . . 528 N CA . 51329 1 111 . 1 . 1 34 34 ASN CB C 13 38.208 0.114 . . . . . . . 528 N CB . 51329 1 112 . 1 . 1 34 34 ASN N N 15 115.867 0.014 . . . . . . . 528 N N . 51329 1 113 . 1 . 1 35 35 VAL H H 1 7.725 0.004 . . . . . . . 529 V HN . 51329 1 114 . 1 . 1 35 35 VAL C C 13 175.312 0.000 . . . . . . . 529 V C . 51329 1 115 . 1 . 1 35 35 VAL CA C 13 65.603 0.059 . . . . . . . 529 V CA . 51329 1 116 . 1 . 1 35 35 VAL CB C 13 31.491 0.049 . . . . . . . 529 V CB . 51329 1 117 . 1 . 1 35 35 VAL N N 15 119.291 0.024 . . . . . . . 529 V N . 51329 1 118 . 1 . 1 36 36 VAL H H 1 6.763 0.004 . . . . . . . 530 V HN . 51329 1 119 . 1 . 1 36 36 VAL C C 13 176.561 0.000 . . . . . . . 530 V C . 51329 1 120 . 1 . 1 36 36 VAL CA C 13 65.414 0.102 . . . . . . . 530 V CA . 51329 1 121 . 1 . 1 36 36 VAL CB C 13 31.535 0.066 . . . . . . . 530 V CB . 51329 1 122 . 1 . 1 36 36 VAL N N 15 118.204 0.010 . . . . . . . 530 V N . 51329 1 123 . 1 . 1 37 37 LEU H H 1 7.545 0.002 . . . . . . . 531 L HN . 51329 1 124 . 1 . 1 37 37 LEU C C 13 174.099 0.000 . . . . . . . 531 L C . 51329 1 125 . 1 . 1 37 37 LEU CA C 13 56.835 0.033 . . . . . . . 531 L CA . 51329 1 126 . 1 . 1 37 37 LEU CB C 13 42.830 0.069 . . . . . . . 531 L CB . 51329 1 127 . 1 . 1 37 37 LEU N N 15 119.383 0.009 . . . . . . . 531 L N . 51329 1 128 . 1 . 1 38 38 GLU H H 1 7.888 0.003 . . . . . . . 532 E HN . 51329 1 129 . 1 . 1 38 38 GLU C C 13 175.608 0.000 . . . . . . . 532 E C . 51329 1 130 . 1 . 1 38 38 GLU CA C 13 56.029 0.050 . . . . . . . 532 E CA . 51329 1 131 . 1 . 1 38 38 GLU CB C 13 30.131 0.025 . . . . . . . 532 E CB . 51329 1 132 . 1 . 1 38 38 GLU N N 15 112.395 0.018 . . . . . . . 532 E N . 51329 1 133 . 1 . 1 39 39 ALA H H 1 6.795 0.006 . . . . . . . 533 A HN . 51329 1 134 . 1 . 1 39 39 ALA C C 13 174.817 0.000 . . . . . . . 533 A C . 51329 1 135 . 1 . 1 39 39 ALA CA C 13 54.128 0.026 . . . . . . . 533 A CA . 51329 1 136 . 1 . 1 39 39 ALA CB C 13 19.433 0.032 . . . . . . . 533 A CB . 51329 1 137 . 1 . 1 39 39 ALA N N 15 122.595 0.031 . . . . . . . 533 A N . 51329 1 138 . 1 . 1 40 40 ARG H H 1 8.657 0.003 . . . . . . . 534 R HN . 51329 1 139 . 1 . 1 40 40 ARG C C 13 177.234 0.000 . . . . . . . 534 R C . 51329 1 140 . 1 . 1 40 40 ARG CA C 13 53.577 0.081 . . . . . . . 534 R CA . 51329 1 141 . 1 . 1 40 40 ARG CB C 13 34.500 0.070 . . . . . . . 534 R CB . 51329 1 142 . 1 . 1 40 40 ARG N N 15 122.663 0.016 . . . . . . . 534 R N . 51329 1 143 . 1 . 1 41 41 GLU H H 1 9.105 0.007 . . . . . . . 535 E HN . 51329 1 144 . 1 . 1 41 41 GLU CA C 13 54.066 0.000 . . . . . . . 535 E CA . 51329 1 145 . 1 . 1 41 41 GLU CB C 13 32.392 0.000 . . . . . . . 535 E CB . 51329 1 146 . 1 . 1 41 41 GLU N N 15 126.922 0.033 . . . . . . . 535 E N . 51329 1 147 . 1 . 1 43 43 GLY C C 13 177.687 0.000 . . . . . . . 537 G C . 51329 1 148 . 1 . 1 43 43 GLY CA C 13 46.661 0.049 . . . . . . . 537 G CA . 51329 1 149 . 1 . 1 44 44 SER H H 1 8.071 0.003 . . . . . . . 538 S HN . 51329 1 150 . 1 . 1 44 44 SER C C 13 176.272 0.000 . . . . . . . 538 S C . 51329 1 151 . 1 . 1 44 44 SER CA C 13 58.909 0.032 . . . . . . . 538 S CA . 51329 1 152 . 1 . 1 44 44 SER CB C 13 64.120 0.099 . . . . . . . 538 S CB . 51329 1 153 . 1 . 1 44 44 SER N N 15 117.187 0.018 . . . . . . . 538 S N . 51329 1 154 . 1 . 1 45 45 GLY H H 1 8.232 0.002 . . . . . . . 539 G HN . 51329 1 155 . 1 . 1 45 45 GLY CA C 13 46.091 0.000 . . . . . . . 539 G CA . 51329 1 156 . 1 . 1 45 45 GLY N N 15 111.572 0.044 . . . . . . . 539 G N . 51329 1 157 . 1 . 1 48 48 LEU C C 13 174.200 0.000 . . . . . . . 542 L C . 51329 1 158 . 1 . 1 48 48 LEU CA C 13 57.890 0.000 . . . . . . . 542 L CA . 51329 1 159 . 1 . 1 48 48 LEU CB C 13 42.376 0.000 . . . . . . . 542 L CB . 51329 1 160 . 1 . 1 49 49 CYS H H 1 9.788 0.004 . . . . . . . 543 C HN . 51329 1 161 . 1 . 1 49 49 CYS C C 13 175.815 0.000 . . . . . . . 543 C C . 51329 1 162 . 1 . 1 49 49 CYS CA C 13 59.660 0.046 . . . . . . . 543 C CA . 51329 1 163 . 1 . 1 49 49 CYS CB C 13 27.077 0.030 . . . . . . . 543 C CB . 51329 1 164 . 1 . 1 49 49 CYS N N 15 113.892 0.025 . . . . . . . 543 C N . 51329 1 165 . 1 . 1 50 50 ASP H H 1 7.334 0.005 . . . . . . . 544 D HN . 51329 1 166 . 1 . 1 50 50 ASP C C 13 174.069 0.000 . . . . . . . 544 D C . 51329 1 167 . 1 . 1 50 50 ASP CA C 13 58.980 0.082 . . . . . . . 544 D CA . 51329 1 168 . 1 . 1 50 50 ASP CB C 13 40.564 0.024 . . . . . . . 544 D CB . 51329 1 169 . 1 . 1 50 50 ASP N N 15 123.578 0.020 . . . . . . . 544 D N . 51329 1 170 . 1 . 1 51 51 LEU H H 1 8.715 0.005 . . . . . . . 545 L HN . 51329 1 171 . 1 . 1 51 51 LEU C C 13 176.311 0.000 . . . . . . . 545 L C . 51329 1 172 . 1 . 1 51 51 LEU CA C 13 56.310 0.032 . . . . . . . 545 L CA . 51329 1 173 . 1 . 1 51 51 LEU CB C 13 39.918 0.053 . . . . . . . 545 L CB . 51329 1 174 . 1 . 1 51 51 LEU N N 15 116.725 0.018 . . . . . . . 545 L N . 51329 1 175 . 1 . 1 52 52 PHE H H 1 8.120 0.003 . . . . . . . 546 F HN . 51329 1 176 . 1 . 1 52 52 PHE C C 13 174.383 0.000 . . . . . . . 546 F C . 51329 1 177 . 1 . 1 52 52 PHE CA C 13 57.927 0.046 . . . . . . . 546 F CA . 51329 1 178 . 1 . 1 52 52 PHE CB C 13 39.372 0.037 . . . . . . . 546 F CB . 51329 1 179 . 1 . 1 52 52 PHE N N 15 117.207 0.008 . . . . . . . 546 F N . 51329 1 180 . 1 . 1 53 53 MET H H 1 8.213 0.005 . . . . . . . 547 M HN . 51329 1 181 . 1 . 1 53 53 MET C C 13 174.691 0.000 . . . . . . . 547 M C . 51329 1 182 . 1 . 1 53 53 MET CA C 13 59.344 0.057 . . . . . . . 547 M CA . 51329 1 183 . 1 . 1 53 53 MET CB C 13 31.827 0.080 . . . . . . . 547 M CB . 51329 1 184 . 1 . 1 53 53 MET N N 15 121.232 0.015 . . . . . . . 547 M N . 51329 1 185 . 1 . 1 54 54 VAL H H 1 7.745 0.005 . . . . . . . 548 V HN . 51329 1 186 . 1 . 1 54 54 VAL C C 13 175.723 0.000 . . . . . . . 548 V C . 51329 1 187 . 1 . 1 54 54 VAL CA C 13 60.775 0.058 . . . . . . . 548 V CA . 51329 1 188 . 1 . 1 54 54 VAL CB C 13 34.562 0.041 . . . . . . . 548 V CB . 51329 1 189 . 1 . 1 54 54 VAL N N 15 115.955 0.023 . . . . . . . 548 V N . 51329 1 190 . 1 . 1 55 55 LYS H H 1 7.940 0.004 . . . . . . . 549 K HN . 51329 1 191 . 1 . 1 55 55 LYS CA C 13 60.596 0.000 . . . . . . . 549 K CA . 51329 1 192 . 1 . 1 55 55 LYS CB C 13 31.871 0.000 . . . . . . . 549 K CB . 51329 1 193 . 1 . 1 55 55 LYS N N 15 118.199 0.011 . . . . . . . 549 K N . 51329 1 194 . 1 . 1 56 56 PRO C C 13 176.312 0.000 . . . . . . . 550 P C . 51329 1 195 . 1 . 1 56 56 PRO CA C 13 62.592 0.038 . . . . . . . 550 P CA . 51329 1 196 . 1 . 1 56 56 PRO CB C 13 32.181 0.073 . . . . . . . 550 P CB . 51329 1 197 . 1 . 1 57 57 SER H H 1 9.025 0.006 . . . . . . . 551 S HN . 51329 1 198 . 1 . 1 57 57 SER CA C 13 57.700 0.000 . . . . . . . 551 S CA . 51329 1 199 . 1 . 1 57 57 SER CB C 13 64.006 0.000 . . . . . . . 551 S CB . 51329 1 200 . 1 . 1 57 57 SER N N 15 118.248 0.031 . . . . . . . 551 S N . 51329 1 201 . 1 . 1 59 59 LYS C C 13 174.603 0.000 . . . . . . . 553 K C . 51329 1 202 . 1 . 1 59 59 LYS CA C 13 58.752 0.006 . . . . . . . 553 K CA . 51329 1 203 . 1 . 1 60 60 ASP H H 1 7.918 0.002 . . . . . . . 554 D HN . 51329 1 204 . 1 . 1 60 60 ASP C C 13 174.424 0.000 . . . . . . . 554 D C . 51329 1 205 . 1 . 1 60 60 ASP CA C 13 56.910 0.000 . . . . . . . 554 D CA . 51329 1 206 . 1 . 1 60 60 ASP CB C 13 42.004 0.069 . . . . . . . 554 D CB . 51329 1 207 . 1 . 1 60 60 ASP N N 15 117.710 0.003 . . . . . . . 554 D N . 51329 1 208 . 1 . 1 61 61 TYR H H 1 8.303 0.003 . . . . . . . 555 Y HN . 51329 1 209 . 1 . 1 61 61 TYR CA C 13 59.769 0.000 . . . . . . . 555 Y CA . 51329 1 210 . 1 . 1 61 61 TYR N N 15 124.474 0.011 . . . . . . . 555 Y N . 51329 1 211 . 1 . 1 62 62 PRO C C 13 173.131 0.000 . . . . . . . 556 P C . 51329 1 212 . 1 . 1 62 62 PRO CA C 13 65.653 0.038 . . . . . . . 556 P CA . 51329 1 213 . 1 . 1 62 62 PRO CB C 13 31.451 0.038 . . . . . . . 556 P CB . 51329 1 214 . 1 . 1 63 63 ASP H H 1 8.808 0.004 . . . . . . . 557 D HN . 51329 1 215 . 1 . 1 63 63 ASP C C 13 174.594 0.000 . . . . . . . 557 D C . 51329 1 216 . 1 . 1 63 63 ASP CA C 13 56.397 0.043 . . . . . . . 557 D CA . 51329 1 217 . 1 . 1 63 63 ASP CB C 13 39.976 0.021 . . . . . . . 557 D CB . 51329 1 218 . 1 . 1 63 63 ASP N N 15 116.672 0.008 . . . . . . . 557 D N . 51329 1 219 . 1 . 1 64 64 TYR H H 1 7.805 0.002 . . . . . . . 558 Y HN . 51329 1 220 . 1 . 1 64 64 TYR C C 13 176.960 0.000 . . . . . . . 558 Y C . 51329 1 221 . 1 . 1 64 64 TYR CA C 13 62.079 0.080 . . . . . . . 558 Y CA . 51329 1 222 . 1 . 1 64 64 TYR CB C 13 38.612 0.002 . . . . . . . 558 Y CB . 51329 1 223 . 1 . 1 64 64 TYR N N 15 122.267 0.018 . . . . . . . 558 Y N . 51329 1 224 . 1 . 1 65 65 TYR H H 1 7.159 0.006 . . . . . . . 559 Y HN . 51329 1 225 . 1 . 1 65 65 TYR C C 13 177.124 0.000 . . . . . . . 559 Y C . 51329 1 226 . 1 . 1 65 65 TYR CA C 13 60.150 0.070 . . . . . . . 559 Y CA . 51329 1 227 . 1 . 1 65 65 TYR CB C 13 38.171 0.028 . . . . . . . 559 Y CB . 51329 1 228 . 1 . 1 65 65 TYR N N 15 113.102 0.015 . . . . . . . 559 Y N . 51329 1 229 . 1 . 1 66 66 LYS H H 1 7.378 0.004 . . . . . . . 560 K HN . 51329 1 230 . 1 . 1 66 66 LYS C C 13 176.298 0.000 . . . . . . . 560 K C . 51329 1 231 . 1 . 1 66 66 LYS CA C 13 57.393 0.016 . . . . . . . 560 K CA . 51329 1 232 . 1 . 1 66 66 LYS CB C 13 32.961 0.029 . . . . . . . 560 K CB . 51329 1 233 . 1 . 1 66 66 LYS N N 15 118.077 0.020 . . . . . . . 560 K N . 51329 1 234 . 1 . 1 67 67 ILE H H 1 6.935 0.003 . . . . . . . 561 I HN . 51329 1 235 . 1 . 1 67 67 ILE C C 13 178.014 0.000 . . . . . . . 561 I C . 51329 1 236 . 1 . 1 67 67 ILE CA C 13 62.120 0.063 . . . . . . . 561 I CA . 51329 1 237 . 1 . 1 67 67 ILE CB C 13 40.341 0.010 . . . . . . . 561 I CB . 51329 1 238 . 1 . 1 67 67 ILE N N 15 116.462 0.009 . . . . . . . 561 I N . 51329 1 239 . 1 . 1 68 68 ILE H H 1 8.088 0.004 . . . . . . . 562 I HN . 51329 1 240 . 1 . 1 68 68 ILE CA C 13 57.344 0.000 . . . . . . . 562 I CA . 51329 1 241 . 1 . 1 68 68 ILE CB C 13 33.891 0.000 . . . . . . . 562 I CB . 51329 1 242 . 1 . 1 68 68 ILE N N 15 122.195 0.033 . . . . . . . 562 I N . 51329 1 243 . 1 . 1 71 71 PRO C C 13 177.904 0.000 . . . . . . . 565 P C . 51329 1 244 . 1 . 1 71 71 PRO CA C 13 62.681 0.067 . . . . . . . 565 P CA . 51329 1 245 . 1 . 1 71 71 PRO CB C 13 33.152 0.000 . . . . . . . 565 P CB . 51329 1 246 . 1 . 1 72 72 MET H H 1 8.627 0.008 . . . . . . . 566 M HN . 51329 1 247 . 1 . 1 72 72 MET C C 13 180.278 0.000 . . . . . . . 566 M C . 51329 1 248 . 1 . 1 72 72 MET CA C 13 53.574 0.019 . . . . . . . 566 M CA . 51329 1 249 . 1 . 1 72 72 MET CB C 13 32.710 0.088 . . . . . . . 566 M CB . 51329 1 250 . 1 . 1 72 72 MET N N 15 118.697 0.013 . . . . . . . 566 M N . 51329 1 251 . 1 . 1 73 73 ASP H H 1 7.573 0.004 . . . . . . . 567 D HN . 51329 1 252 . 1 . 1 73 73 ASP CA C 13 53.766 0.000 . . . . . . . 567 D CA . 51329 1 253 . 1 . 1 73 73 ASP CB C 13 42.472 0.000 . . . . . . . 567 D CB . 51329 1 254 . 1 . 1 73 73 ASP N N 15 123.210 0.033 . . . . . . . 567 D N . 51329 1 255 . 1 . 1 78 78 GLU C C 13 173.490 0.000 . . . . . . . 572 E C . 51329 1 256 . 1 . 1 78 78 GLU CA C 13 59.912 0.064 . . . . . . . 572 E CA . 51329 1 257 . 1 . 1 78 78 GLU CB C 13 29.208 0.000 . . . . . . . 572 E CB . 51329 1 258 . 1 . 1 79 79 HIS H H 1 7.261 0.006 . . . . . . . 573 H HN . 51329 1 259 . 1 . 1 79 79 HIS CA C 13 57.954 0.000 . . . . . . . 573 H CA . 51329 1 260 . 1 . 1 79 79 HIS CB C 13 39.479 0.000 . . . . . . . 573 H CB . 51329 1 261 . 1 . 1 79 79 HIS N N 15 121.722 0.027 . . . . . . . 573 H N . 51329 1 262 . 1 . 1 80 80 ASN C C 13 174.603 0.000 . . . . . . . 574 N C . 51329 1 263 . 1 . 1 80 80 ASN CA C 13 59.046 0.039 . . . . . . . 574 N CA . 51329 1 264 . 1 . 1 80 80 ASN CB C 13 38.808 0.000 . . . . . . . 574 N CB . 51329 1 265 . 1 . 1 81 81 ILE H H 1 7.708 0.016 . . . . . . . 575 I HN . 51329 1 266 . 1 . 1 81 81 ILE C C 13 175.156 0.000 . . . . . . . 575 I C . 51329 1 267 . 1 . 1 81 81 ILE CA C 13 66.458 0.005 . . . . . . . 575 I CA . 51329 1 268 . 1 . 1 81 81 ILE CB C 13 39.005 0.003 . . . . . . . 575 I CB . 51329 1 269 . 1 . 1 81 81 ILE N N 15 119.840 0.023 . . . . . . . 575 I N . 51329 1 270 . 1 . 1 82 82 ARG H H 1 8.851 0.002 . . . . . . . 576 R HN . 51329 1 271 . 1 . 1 82 82 ARG C C 13 175.081 0.000 . . . . . . . 576 R C . 51329 1 272 . 1 . 1 82 82 ARG CA C 13 60.536 0.097 . . . . . . . 576 R CA . 51329 1 273 . 1 . 1 82 82 ARG CB C 13 29.648 0.079 . . . . . . . 576 R CB . 51329 1 274 . 1 . 1 82 82 ARG N N 15 120.644 0.039 . . . . . . . 576 R N . 51329 1 275 . 1 . 1 83 83 ASN H H 1 8.680 0.002 . . . . . . . 577 N HN . 51329 1 276 . 1 . 1 83 83 ASN CA C 13 55.134 0.000 . . . . . . . 577 N CA . 51329 1 277 . 1 . 1 83 83 ASN CB C 13 37.987 0.000 . . . . . . . 577 N CB . 51329 1 278 . 1 . 1 83 83 ASN N N 15 120.585 0.039 . . . . . . . 577 N N . 51329 1 279 . 1 . 1 87 87 ALA C C 13 175.347 0.000 . . . . . . . 581 A C . 51329 1 280 . 1 . 1 87 87 ALA CA C 13 53.154 0.059 . . . . . . . 581 A CA . 51329 1 281 . 1 . 1 87 87 ALA CB C 13 18.534 0.000 . . . . . . . 581 A CB . 51329 1 282 . 1 . 1 88 88 GLY H H 1 7.508 0.004 . . . . . . . 582 G HN . 51329 1 283 . 1 . 1 88 88 GLY C C 13 180.006 0.000 . . . . . . . 582 G C . 51329 1 284 . 1 . 1 88 88 GLY CA C 13 44.704 0.076 . . . . . . . 582 G CA . 51329 1 285 . 1 . 1 88 88 GLY N N 15 124.031 0.016 . . . . . . . 582 G N . 51329 1 286 . 1 . 1 89 89 GLU H H 1 9.395 0.003 . . . . . . . 583 E HN . 51329 1 287 . 1 . 1 89 89 GLU CA C 13 58.637 0.000 . . . . . . . 583 E CA . 51329 1 288 . 1 . 1 89 89 GLU CB C 13 29.252 0.000 . . . . . . . 583 E CB . 51329 1 289 . 1 . 1 89 89 GLU N N 15 118.121 0.011 . . . . . . . 583 E N . 51329 1 290 . 1 . 1 90 90 GLU C C 13 174.120 0.000 . . . . . . . 584 E C . 51329 1 291 . 1 . 1 90 90 GLU CA C 13 60.697 0.000 . . . . . . . 584 E CA . 51329 1 292 . 1 . 1 90 90 GLU CB C 13 28.148 0.000 . . . . . . . 584 E CB . 51329 1 293 . 1 . 1 91 91 GLY H H 1 7.918 0.006 . . . . . . . 585 G HN . 51329 1 294 . 1 . 1 91 91 GLY CA C 13 47.199 0.000 . . . . . . . 585 G CA . 51329 1 295 . 1 . 1 91 91 GLY N N 15 128.977 0.032 . . . . . . . 585 G N . 51329 1 296 . 1 . 1 92 92 MET C C 13 175.081 0.000 . . . . . . . 586 M C . 51329 1 297 . 1 . 1 92 92 MET CA C 13 55.147 0.089 . . . . . . . 586 M CA . 51329 1 298 . 1 . 1 92 92 MET CB C 13 38.233 0.021 . . . . . . . 586 M CB . 51329 1 299 . 1 . 1 93 93 ILE H H 1 8.545 0.004 . . . . . . . 587 I HN . 51329 1 300 . 1 . 1 93 93 ILE C C 13 174.619 0.000 . . . . . . . 587 I C . 51329 1 301 . 1 . 1 93 93 ILE CA C 13 66.086 0.067 . . . . . . . 587 I CA . 51329 1 302 . 1 . 1 93 93 ILE CB C 13 38.783 0.031 . . . . . . . 587 I CB . 51329 1 303 . 1 . 1 93 93 ILE N N 15 121.507 0.022 . . . . . . . 587 I N . 51329 1 304 . 1 . 1 94 94 GLU H H 1 8.215 0.006 . . . . . . . 588 E HN . 51329 1 305 . 1 . 1 94 94 GLU C C 13 175.656 0.000 . . . . . . . 588 E C . 51329 1 306 . 1 . 1 94 94 GLU CA C 13 59.193 0.067 . . . . . . . 588 E CA . 51329 1 307 . 1 . 1 94 94 GLU CB C 13 30.456 0.067 . . . . . . . 588 E CB . 51329 1 308 . 1 . 1 94 94 GLU N N 15 119.406 0.008 . . . . . . . 588 E N . 51329 1 309 . 1 . 1 95 95 ASP H H 1 7.720 0.006 . . . . . . . 589 D HN . 51329 1 310 . 1 . 1 95 95 ASP C C 13 179.988 0.000 . . . . . . . 589 D C . 51329 1 311 . 1 . 1 95 95 ASP CA C 13 53.362 0.004 . . . . . . . 589 D CA . 51329 1 312 . 1 . 1 95 95 ASP CB C 13 38.554 0.062 . . . . . . . 589 D CB . 51329 1 313 . 1 . 1 95 95 ASP N N 15 113.546 0.012 . . . . . . . 589 D N . 51329 1 314 . 1 . 1 96 96 MET H H 1 7.691 0.001 . . . . . . . 590 M HN . 51329 1 315 . 1 . 1 96 96 MET C C 13 177.399 0.000 . . . . . . . 590 M C . 51329 1 316 . 1 . 1 96 96 MET CA C 13 55.848 0.078 . . . . . . . 590 M CA . 51329 1 317 . 1 . 1 96 96 MET CB C 13 38.936 0.082 . . . . . . . 590 M CB . 51329 1 318 . 1 . 1 96 96 MET N N 15 115.934 0.012 . . . . . . . 590 M N . 51329 1 319 . 1 . 1 97 97 LYS H H 1 8.251 0.003 . . . . . . . 591 K HN . 51329 1 320 . 1 . 1 97 97 LYS CA C 13 56.567 0.000 . . . . . . . 591 K CA . 51329 1 321 . 1 . 1 97 97 LYS CB C 13 32.272 0.000 . . . . . . . 591 K CB . 51329 1 322 . 1 . 1 97 97 LYS N N 15 114.598 0.019 . . . . . . . 591 K N . 51329 1 323 . 1 . 1 100 100 PHE C C 13 175.709 0.000 . . . . . . . 594 F C . 51329 1 324 . 1 . 1 100 100 PHE CA C 13 59.625 0.000 . . . . . . . 594 F CA . 51329 1 325 . 1 . 1 100 100 PHE CB C 13 37.918 0.000 . . . . . . . 594 F CB . 51329 1 326 . 1 . 1 101 101 ARG H H 1 8.884 0.007 . . . . . . . 595 R HN . 51329 1 327 . 1 . 1 101 101 ARG C C 13 173.228 0.000 . . . . . . . 595 R C . 51329 1 328 . 1 . 1 101 101 ARG CA C 13 60.171 0.044 . . . . . . . 595 R CA . 51329 1 329 . 1 . 1 101 101 ARG CB C 13 30.147 0.010 . . . . . . . 595 R CB . 51329 1 330 . 1 . 1 101 101 ARG N N 15 121.945 0.024 . . . . . . . 595 R N . 51329 1 331 . 1 . 1 102 102 ASN H H 1 9.011 0.005 . . . . . . . 596 N HN . 51329 1 332 . 1 . 1 102 102 ASN C C 13 175.644 0.000 . . . . . . . 596 N C . 51329 1 333 . 1 . 1 102 102 ASN CA C 13 55.453 0.014 . . . . . . . 596 N CA . 51329 1 334 . 1 . 1 102 102 ASN CB C 13 37.990 0.038 . . . . . . . 596 N CB . 51329 1 335 . 1 . 1 102 102 ASN N N 15 119.620 0.019 . . . . . . . 596 N N . 51329 1 336 . 1 . 1 103 103 ALA H H 1 7.668 0.007 . . . . . . . 597 A HN . 51329 1 337 . 1 . 1 103 103 ALA C C 13 173.936 0.000 . . . . . . . 597 A C . 51329 1 338 . 1 . 1 103 103 ALA CA C 13 55.303 0.055 . . . . . . . 597 A CA . 51329 1 339 . 1 . 1 103 103 ALA CB C 13 18.727 0.083 . . . . . . . 597 A CB . 51329 1 340 . 1 . 1 103 103 ALA N N 15 120.930 0.022 . . . . . . . 597 A N . 51329 1 341 . 1 . 1 104 104 ARG H H 1 7.293 0.007 . . . . . . . 598 R HN . 51329 1 342 . 1 . 1 104 104 ARG C C 13 175.144 0.000 . . . . . . . 598 R C . 51329 1 343 . 1 . 1 104 104 ARG CA C 13 59.820 0.030 . . . . . . . 598 R CA . 51329 1 344 . 1 . 1 104 104 ARG CB C 13 30.531 0.025 . . . . . . . 598 R CB . 51329 1 345 . 1 . 1 104 104 ARG N N 15 115.442 0.033 . . . . . . . 598 R N . 51329 1 346 . 1 . 1 105 105 HIS H H 1 7.971 0.008 . . . . . . . 599 H HN . 51329 1 347 . 1 . 1 105 105 HIS C C 13 176.019 0.000 . . . . . . . 599 H C . 51329 1 348 . 1 . 1 105 105 HIS CA C 13 59.810 0.000 . . . . . . . 599 H CA . 51329 1 349 . 1 . 1 105 105 HIS CB C 13 32.701 0.000 . . . . . . . 599 H CB . 51329 1 350 . 1 . 1 105 105 HIS N N 15 120.219 0.026 . . . . . . . 599 H N . 51329 1 351 . 1 . 1 106 106 TYR H H 1 8.202 0.007 . . . . . . . 600 Y HN . 51329 1 352 . 1 . 1 106 106 TYR C C 13 178.101 0.000 . . . . . . . 600 Y C . 51329 1 353 . 1 . 1 106 106 TYR CA C 13 60.736 0.092 . . . . . . . 600 Y CA . 51329 1 354 . 1 . 1 106 106 TYR CB C 13 40.346 0.054 . . . . . . . 600 Y CB . 51329 1 355 . 1 . 1 106 106 TYR N N 15 115.657 0.012 . . . . . . . 600 Y N . 51329 1 356 . 1 . 1 107 107 ASN H H 1 7.422 0.006 . . . . . . . 601 N HN . 51329 1 357 . 1 . 1 107 107 ASN C C 13 179.850 0.000 . . . . . . . 601 N C . 51329 1 358 . 1 . 1 107 107 ASN CA C 13 52.992 0.054 . . . . . . . 601 N CA . 51329 1 359 . 1 . 1 107 107 ASN CB C 13 41.333 0.022 . . . . . . . 601 N CB . 51329 1 360 . 1 . 1 107 107 ASN N N 15 113.774 0.039 . . . . . . . 601 N N . 51329 1 361 . 1 . 1 108 108 GLU H H 1 8.553 0.004 . . . . . . . 602 E HN . 51329 1 362 . 1 . 1 108 108 GLU C C 13 175.727 0.000 . . . . . . . 602 E C . 51329 1 363 . 1 . 1 108 108 GLU CA C 13 56.188 0.016 . . . . . . . 602 E CA . 51329 1 364 . 1 . 1 108 108 GLU CB C 13 30.731 0.046 . . . . . . . 602 E CB . 51329 1 365 . 1 . 1 108 108 GLU N N 15 117.321 0.042 . . . . . . . 602 E N . 51329 1 366 . 1 . 1 109 109 GLU H H 1 8.714 0.005 . . . . . . . 603 E HN . 51329 1 367 . 1 . 1 109 109 GLU C C 13 176.176 0.000 . . . . . . . 603 E C . 51329 1 368 . 1 . 1 109 109 GLU CA C 13 57.851 0.082 . . . . . . . 603 E CA . 51329 1 369 . 1 . 1 109 109 GLU CB C 13 28.978 0.045 . . . . . . . 603 E CB . 51329 1 370 . 1 . 1 109 109 GLU N N 15 125.427 0.018 . . . . . . . 603 E N . 51329 1 371 . 1 . 1 110 110 GLY H H 1 6.945 0.007 . . . . . . . 604 G HN . 51329 1 372 . 1 . 1 110 110 GLY C C 13 178.880 0.000 . . . . . . . 604 G C . 51329 1 373 . 1 . 1 110 110 GLY CA C 13 45.186 0.066 . . . . . . . 604 G CA . 51329 1 374 . 1 . 1 110 110 GLY N N 15 111.859 0.003 . . . . . . . 604 G N . 51329 1 375 . 1 . 1 111 111 SER H H 1 7.838 0.002 . . . . . . . 605 S HN . 51329 1 376 . 1 . 1 111 111 SER C C 13 178.484 0.000 . . . . . . . 605 S C . 51329 1 377 . 1 . 1 111 111 SER CA C 13 58.406 0.015 . . . . . . . 605 S CA . 51329 1 378 . 1 . 1 111 111 SER CB C 13 65.395 0.037 . . . . . . . 605 S CB . 51329 1 379 . 1 . 1 111 111 SER N N 15 115.432 0.017 . . . . . . . 605 S N . 51329 1 380 . 1 . 1 112 112 GLN H H 1 8.891 0.007 . . . . . . . 606 Q HN . 51329 1 381 . 1 . 1 112 112 GLN C C 13 175.176 0.000 . . . . . . . 606 Q C . 51329 1 382 . 1 . 1 112 112 GLN CA C 13 60.010 0.087 . . . . . . . 606 Q CA . 51329 1 383 . 1 . 1 112 112 GLN CB C 13 30.630 0.050 . . . . . . . 606 Q CB . 51329 1 384 . 1 . 1 112 112 GLN N N 15 123.378 0.030 . . . . . . . 606 Q N . 51329 1 385 . 1 . 1 113 113 VAL H H 1 8.360 0.005 . . . . . . . 607 V HN . 51329 1 386 . 1 . 1 113 113 VAL C C 13 176.443 0.000 . . . . . . . 607 V C . 51329 1 387 . 1 . 1 113 113 VAL CA C 13 65.628 0.024 . . . . . . . 607 V CA . 51329 1 388 . 1 . 1 113 113 VAL CB C 13 31.782 0.031 . . . . . . . 607 V CB . 51329 1 389 . 1 . 1 113 113 VAL N N 15 116.537 0.016 . . . . . . . 607 V N . 51329 1 390 . 1 . 1 114 114 TYR H H 1 7.052 0.005 . . . . . . . 608 Y HN . 51329 1 391 . 1 . 1 114 114 TYR C C 13 175.794 0.000 . . . . . . . 608 Y C . 51329 1 392 . 1 . 1 114 114 TYR CA C 13 61.844 0.072 . . . . . . . 608 Y CA . 51329 1 393 . 1 . 1 114 114 TYR CB C 13 40.251 0.104 . . . . . . . 608 Y CB . 51329 1 394 . 1 . 1 114 114 TYR N N 15 121.215 0.016 . . . . . . . 608 Y N . 51329 1 395 . 1 . 1 115 115 ASN H H 1 8.262 0.007 . . . . . . . 609 N HN . 51329 1 396 . 1 . 1 115 115 ASN C C 13 174.488 0.000 . . . . . . . 609 N C . 51329 1 397 . 1 . 1 115 115 ASN CA C 13 56.286 0.019 . . . . . . . 609 N CA . 51329 1 398 . 1 . 1 115 115 ASN CB C 13 38.354 0.009 . . . . . . . 609 N CB . 51329 1 399 . 1 . 1 115 115 ASN N N 15 117.738 0.013 . . . . . . . 609 N N . 51329 1 400 . 1 . 1 116 116 ASP H H 1 9.390 0.004 . . . . . . . 610 D HN . 51329 1 401 . 1 . 1 116 116 ASP CA C 13 57.789 0.000 . . . . . . . 610 D CA . 51329 1 402 . 1 . 1 116 116 ASP CB C 13 40.347 0.000 . . . . . . . 610 D CB . 51329 1 403 . 1 . 1 116 116 ASP N N 15 123.105 0.019 . . . . . . . 610 D N . 51329 1 404 . 1 . 1 117 117 ALA C C 13 175.365 0.000 . . . . . . . 611 A C . 51329 1 405 . 1 . 1 117 117 ALA CA C 13 52.875 0.077 . . . . . . . 611 A CA . 51329 1 406 . 1 . 1 117 117 ALA CB C 13 19.407 0.022 . . . . . . . 611 A CB . 51329 1 407 . 1 . 1 118 118 HIS H H 1 8.469 0.003 . . . . . . . 612 H HN . 51329 1 408 . 1 . 1 118 118 HIS CA C 13 56.748 0.000 . . . . . . . 612 H CA . 51329 1 409 . 1 . 1 118 118 HIS CB C 13 30.437 0.000 . . . . . . . 612 H CB . 51329 1 410 . 1 . 1 118 118 HIS N N 15 119.784 0.027 . . . . . . . 612 H N . 51329 1 411 . 1 . 1 119 119 ILE C C 13 178.923 0.000 . . . . . . . 613 I C . 51329 1 412 . 1 . 1 119 119 ILE CA C 13 57.495 0.074 . . . . . . . 613 I CA . 51329 1 413 . 1 . 1 119 119 ILE CB C 13 39.667 0.014 . . . . . . . 613 I CB . 51329 1 414 . 1 . 1 120 120 LEU H H 1 7.736 0.009 . . . . . . . 614 L HN . 51329 1 415 . 1 . 1 120 120 LEU C C 13 176.077 0.000 . . . . . . . 614 L C . 51329 1 416 . 1 . 1 120 120 LEU CA C 13 56.069 0.000 . . . . . . . 614 L CA . 51329 1 417 . 1 . 1 120 120 LEU CB C 13 41.995 0.061 . . . . . . . 614 L CB . 51329 1 418 . 1 . 1 120 120 LEU N N 15 125.352 0.038 . . . . . . . 614 L N . 51329 1 419 . 1 . 1 121 121 GLU H H 1 7.768 0.002 . . . . . . . 615 E HN . 51329 1 420 . 1 . 1 121 121 GLU CA C 13 60.098 0.000 . . . . . . . 615 E CA . 51329 1 421 . 1 . 1 121 121 GLU CB C 13 33.566 0.000 . . . . . . . 615 E CB . 51329 1 422 . 1 . 1 121 121 GLU N N 15 118.724 0.002 . . . . . . . 615 E N . 51329 1 423 . 1 . 1 122 122 LYS CA C 13 58.088 0.000 . . . . . . . 616 K CA . 51329 1 424 . 1 . 1 123 123 LEU C C 13 173.040 0.000 . . . . . . . 617 L C . 51329 1 425 . 1 . 1 123 123 LEU CA C 13 58.095 0.000 . . . . . . . 617 L CA . 51329 1 426 . 1 . 1 123 123 LEU CB C 13 42.082 0.056 . . . . . . . 617 L CB . 51329 1 427 . 1 . 1 124 124 LEU H H 1 8.072 0.001 . . . . . . . 618 L HN . 51329 1 428 . 1 . 1 124 124 LEU C C 13 175.129 0.000 . . . . . . . 618 L C . 51329 1 429 . 1 . 1 124 124 LEU CA C 13 58.283 0.020 . . . . . . . 618 L CA . 51329 1 430 . 1 . 1 124 124 LEU CB C 13 42.362 0.076 . . . . . . . 618 L CB . 51329 1 431 . 1 . 1 124 124 LEU N N 15 120.536 0.005 . . . . . . . 618 L N . 51329 1 432 . 1 . 1 125 125 LYS H H 1 7.909 0.005 . . . . . . . 619 K HN . 51329 1 433 . 1 . 1 125 125 LYS C C 13 172.924 0.000 . . . . . . . 619 K C . 51329 1 434 . 1 . 1 125 125 LYS CA C 13 60.176 0.016 . . . . . . . 619 K CA . 51329 1 435 . 1 . 1 125 125 LYS CB C 13 32.446 0.109 . . . . . . . 619 K CB . 51329 1 436 . 1 . 1 125 125 LYS N N 15 118.662 0.013 . . . . . . . 619 K N . 51329 1 437 . 1 . 1 126 126 GLU H H 1 8.522 0.003 . . . . . . . 620 E HN . 51329 1 438 . 1 . 1 126 126 GLU C C 13 173.879 0.000 . . . . . . . 620 E C . 51329 1 439 . 1 . 1 126 126 GLU CA C 13 59.295 0.019 . . . . . . . 620 E CA . 51329 1 440 . 1 . 1 126 126 GLU CB C 13 29.110 0.051 . . . . . . . 620 E CB . 51329 1 441 . 1 . 1 126 126 GLU N N 15 119.725 0.006 . . . . . . . 620 E N . 51329 1 442 . 1 . 1 127 127 LYS H H 1 8.261 0.006 . . . . . . . 621 K HN . 51329 1 443 . 1 . 1 127 127 LYS C C 13 174.545 0.000 . . . . . . . 621 K C . 51329 1 444 . 1 . 1 127 127 LYS CA C 13 60.139 0.027 . . . . . . . 621 K CA . 51329 1 445 . 1 . 1 127 127 LYS CB C 13 32.122 0.000 . . . . . . . 621 K CB . 51329 1 446 . 1 . 1 127 127 LYS N N 15 118.134 0.007 . . . . . . . 621 K N . 51329 1 447 . 1 . 1 128 128 ARG H H 1 8.058 0.004 . . . . . . . 622 R HN . 51329 1 448 . 1 . 1 128 128 ARG C C 13 174.649 0.000 . . . . . . . 622 R C . 51329 1 449 . 1 . 1 128 128 ARG CA C 13 60.264 0.084 . . . . . . . 622 R CA . 51329 1 450 . 1 . 1 128 128 ARG CB C 13 29.624 0.091 . . . . . . . 622 R CB . 51329 1 451 . 1 . 1 128 128 ARG N N 15 119.392 0.008 . . . . . . . 622 R N . 51329 1 452 . 1 . 1 129 129 LYS H H 1 7.552 0.002 . . . . . . . 623 K HN . 51329 1 453 . 1 . 1 129 129 LYS CA C 13 59.867 0.000 . . . . . . . 623 K CA . 51329 1 454 . 1 . 1 129 129 LYS CB C 13 32.102 0.000 . . . . . . . 623 K CB . 51329 1 455 . 1 . 1 129 129 LYS N N 15 119.631 0.007 . . . . . . . 623 K N . 51329 1 456 . 1 . 1 130 130 GLU H H 1 9.116 0.006 . . . . . . . 624 E HN . 51329 1 457 . 1 . 1 130 130 GLU CA C 13 57.104 0.000 . . . . . . . 624 E CA . 51329 1 458 . 1 . 1 130 130 GLU CB C 13 30.118 0.000 . . . . . . . 624 E CB . 51329 1 459 . 1 . 1 130 130 GLU N N 15 127.582 0.023 . . . . . . . 624 E N . 51329 1 460 . 1 . 1 131 131 LEU H H 1 7.740 0.004 . . . . . . . 625 L HN . 51329 1 461 . 1 . 1 131 131 LEU C C 13 174.218 0.000 . . . . . . . 625 L C . 51329 1 462 . 1 . 1 131 131 LEU CA C 13 56.772 0.000 . . . . . . . 625 L CA . 51329 1 463 . 1 . 1 131 131 LEU CB C 13 41.751 0.000 . . . . . . . 625 L CB . 51329 1 464 . 1 . 1 131 131 LEU N N 15 128.734 0.019 . . . . . . . 625 L N . 51329 1 465 . 1 . 1 132 132 GLY H H 1 7.385 0.001 . . . . . . . 626 G HN . 51329 1 466 . 1 . 1 132 132 GLY CA C 13 44.596 0.000 . . . . . . . 626 G CA . 51329 1 467 . 1 . 1 132 132 GLY N N 15 126.629 0.011 . . . . . . . 626 G N . 51329 1 468 . 1 . 1 133 133 PRO C C 13 176.075 0.000 . . . . . . . 627 P C . 51329 1 469 . 1 . 1 133 133 PRO CA C 13 62.792 0.000 . . . . . . . 627 P CA . 51329 1 470 . 1 . 1 133 133 PRO CB C 13 32.147 0.000 . . . . . . . 627 P CB . 51329 1 471 . 1 . 1 134 134 LEU H H 1 8.547 0.004 . . . . . . . 628 L HN . 51329 1 472 . 1 . 1 134 134 LEU CA C 13 53.318 0.000 . . . . . . . 628 L CA . 51329 1 473 . 1 . 1 134 134 LEU CB C 13 42.180 0.000 . . . . . . . 628 L CB . 51329 1 474 . 1 . 1 134 134 LEU N N 15 124.250 0.001 . . . . . . . 628 L N . 51329 1 475 . 1 . 1 135 135 PRO C C 13 176.754 0.000 . . . . . . . 629 P C . 51329 1 476 . 1 . 1 135 135 PRO CA C 13 62.935 0.000 . . . . . . . 629 P CA . 51329 1 477 . 1 . 1 135 135 PRO CB C 13 32.137 0.000 . . . . . . . 629 P CB . 51329 1 478 . 1 . 1 136 136 ASP H H 1 8.441 0.002 . . . . . . . 630 D HN . 51329 1 479 . 1 . 1 136 136 ASP C C 13 176.901 0.000 . . . . . . . 630 D C . 51329 1 480 . 1 . 1 136 136 ASP CA C 13 54.626 0.051 . . . . . . . 630 D CA . 51329 1 481 . 1 . 1 136 136 ASP CB C 13 41.337 0.042 . . . . . . . 630 D CB . 51329 1 482 . 1 . 1 136 136 ASP N N 15 120.963 0.006 . . . . . . . 630 D N . 51329 1 483 . 1 . 1 137 137 ASP H H 1 8.305 0.001 . . . . . . . 631 D HN . 51329 1 484 . 1 . 1 137 137 ASP CA C 13 54.722 0.000 . . . . . . . 631 D CA . 51329 1 485 . 1 . 1 137 137 ASP CB C 13 41.225 0.000 . . . . . . . 631 D CB . 51329 1 486 . 1 . 1 137 137 ASP N N 15 120.503 0.011 . . . . . . . 631 D N . 51329 1 487 . 1 . 1 139 139 ASP C C 13 176.577 0.000 . . . . . . . 633 D C . 51329 1 488 . 1 . 1 139 139 ASP CA C 13 54.727 0.000 . . . . . . . 633 D CA . 51329 1 489 . 1 . 1 139 139 ASP CB C 13 41.258 0.000 . . . . . . . 633 D CB . 51329 1 490 . 1 . 1 140 140 MET H H 1 8.213 0.001 . . . . . . . 634 M HN . 51329 1 491 . 1 . 1 140 140 MET C C 13 177.054 0.000 . . . . . . . 634 M C . 51329 1 492 . 1 . 1 140 140 MET CA C 13 55.480 0.047 . . . . . . . 634 M CA . 51329 1 493 . 1 . 1 140 140 MET CB C 13 32.842 0.004 . . . . . . . 634 M CB . 51329 1 494 . 1 . 1 140 140 MET N N 15 119.986 0.002 . . . . . . . 634 M N . 51329 1 495 . 1 . 1 141 141 ALA H H 1 8.173 0.002 . . . . . . . 635 A HN . 51329 1 496 . 1 . 1 141 141 ALA C C 13 175.525 0.000 . . . . . . . 635 A C . 51329 1 497 . 1 . 1 141 141 ALA CA C 13 52.524 0.000 . . . . . . . 635 A CA . 51329 1 498 . 1 . 1 141 141 ALA CB C 13 19.371 0.000 . . . . . . . 635 A CB . 51329 1 499 . 1 . 1 141 141 ALA N N 15 124.569 0.011 . . . . . . . 635 A N . 51329 1 500 . 1 . 1 142 142 SER H H 1 8.265 0.002 . . . . . . . 636 S HN . 51329 1 501 . 1 . 1 142 142 SER CA C 13 56.443 0.000 . . . . . . . 636 S CA . 51329 1 502 . 1 . 1 142 142 SER CB C 13 63.463 0.003 . . . . . . . 636 S CB . 51329 1 503 . 1 . 1 142 142 SER N N 15 116.521 0.066 . . . . . . . 636 S N . 51329 1 504 . 1 . 1 143 143 PRO C C 13 176.237 0.000 . . . . . . . 637 P C . 51329 1 505 . 1 . 1 143 143 PRO CA C 13 63.404 0.052 . . . . . . . 637 P CA . 51329 1 506 . 1 . 1 143 143 PRO CB C 13 32.041 0.003 . . . . . . . 637 P CB . 51329 1 507 . 1 . 1 144 144 ALA H H 1 8.307 0.003 . . . . . . . 638 A HN . 51329 1 508 . 1 . 1 144 144 ALA C C 13 175.138 0.000 . . . . . . . 638 A C . 51329 1 509 . 1 . 1 144 144 ALA CA C 13 52.899 0.000 . . . . . . . 638 A CA . 51329 1 510 . 1 . 1 144 144 ALA CB C 13 19.208 0.000 . . . . . . . 638 A CB . 51329 1 511 . 1 . 1 144 144 ALA N N 15 123.804 0.020 . . . . . . . 638 A N . 51329 1 512 . 1 . 1 145 145 GLU H H 1 8.283 0.000 . . . . . . . 639 E HN . 51329 1 513 . 1 . 1 145 145 GLU C C 13 176.867 0.000 . . . . . . . 639 E C . 51329 1 514 . 1 . 1 145 145 GLU CA C 13 56.767 0.000 . . . . . . . 639 E CA . 51329 1 515 . 1 . 1 145 145 GLU CB C 13 30.448 0.000 . . . . . . . 639 E CB . 51329 1 516 . 1 . 1 145 145 GLU N N 15 119.355 0.009 . . . . . . . 639 E N . 51329 1 517 . 1 . 1 146 146 ASN H H 1 8.301 0.004 . . . . . . . 640 N HN . 51329 1 518 . 1 . 1 146 146 ASN C C 13 178.157 0.000 . . . . . . . 640 N C . 51329 1 519 . 1 . 1 146 146 ASN CA C 13 53.364 0.057 . . . . . . . 640 N CA . 51329 1 520 . 1 . 1 146 146 ASN CB C 13 38.813 0.017 . . . . . . . 640 N CB . 51329 1 521 . 1 . 1 146 146 ASN N N 15 118.906 0.013 . . . . . . . 640 N N . 51329 1 522 . 1 . 1 147 147 LEU H H 1 8.003 0.003 . . . . . . . 641 L HN . 51329 1 523 . 1 . 1 147 147 LEU C C 13 176.308 0.000 . . . . . . . 641 L C . 51329 1 524 . 1 . 1 147 147 LEU CA C 13 55.435 0.065 . . . . . . . 641 L CA . 51329 1 525 . 1 . 1 147 147 LEU CB C 13 42.390 0.027 . . . . . . . 641 L CB . 51329 1 526 . 1 . 1 147 147 LEU N N 15 121.948 0.007 . . . . . . . 641 L N . 51329 1 527 . 1 . 1 148 148 TYR H H 1 7.942 0.003 . . . . . . . 642 Y HN . 51329 1 528 . 1 . 1 148 148 TYR C C 13 177.834 0.000 . . . . . . . 642 Y C . 51329 1 529 . 1 . 1 148 148 TYR CA C 13 57.778 0.064 . . . . . . . 642 Y CA . 51329 1 530 . 1 . 1 148 148 TYR CB C 13 38.768 0.034 . . . . . . . 642 Y CB . 51329 1 531 . 1 . 1 148 148 TYR N N 15 119.345 0.005 . . . . . . . 642 Y N . 51329 1 532 . 1 . 1 149 149 PHE H H 1 7.979 0.003 . . . . . . . 643 F HN . 51329 1 533 . 1 . 1 149 149 PHE C C 13 178.593 0.000 . . . . . . . 643 F C . 51329 1 534 . 1 . 1 149 149 PHE CA C 13 57.489 0.085 . . . . . . . 643 F CA . 51329 1 535 . 1 . 1 149 149 PHE CB C 13 39.691 0.074 . . . . . . . 643 F CB . 51329 1 536 . 1 . 1 149 149 PHE N N 15 121.123 0.010 . . . . . . . 643 F N . 51329 1 537 . 1 . 1 150 150 GLN H H 1 7.737 0.003 . . . . . . . 644 Q HN . 51329 1 538 . 1 . 1 150 150 GLN CA C 13 57.520 0.000 . . . . . . . 644 Q CA . 51329 1 539 . 1 . 1 150 150 GLN CB C 13 30.541 0.000 . . . . . . . 644 Q CB . 51329 1 540 . 1 . 1 150 150 GLN N N 15 126.048 0.021 . . . . . . . 644 Q N . 51329 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID 51329 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name HSQC _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 1 _Spectral_peak_list.Experiment_name '2D 1H-15N HSQC' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; Assignment w1 w2 Height Volume R522HN-R522N 9.634 121.392 8.84E+06 6.59E+07 bx I525HN-I525N 9.460 124.644 4.72E+06 3.52E+07 bx Q644HN-Q644N 7.736 126.022 1.09E+08 7.35E+08 bx F643HN-F643N 7.976 121.126 5.90E+07 4.17E+08 bx Y642HN-Y642N 7.941 119.347 7.02E+07 4.81E+08 bx L641HN-L641N 8.001 121.948 5.82E+07 3.91E+08 bx N640HN-N640N 8.302 118.907 2.79E+07 2.08E+08 bx E639HN-E639N 8.283 119.364 5.53E+07 3.94E+08 bx T504HN-T504N 8.091 112.515 1.54E+07 1.10E+08 bx G508HN-G508N 8.518 111.113 5.80E+06 4.32E+07 bx S636HN-S636N 8.264 116.539 4.84E+07 3.28E+08 bx A635HN-A635N 8.170 124.565 4.63E+07 3.14E+08 bx M634HN-M634N 8.210 119.990 5.85E+07 4.26E+08 bx T507HN-T507N 8.198 114.433 7.38E+06 5.70E+07 bx D506HN-D506N 8.415 122.712 6.86E+06 5.03E+07 bx S505HN-S505N 8.239 117.710 8.13E+06 6.92E+07 bx A503HN-A503N 8.353 125.827 6.21E+06 4.92E+07 bx K511HN-K511N 8.146 119.743 1.87E+07 1.46E+08 bx S501HN-S501N 8.371 119.893 1.44E+07 1.08E+08 bx A533HN-A533N 6.792 122.579 1.42E+07 1.02E+08 bx ?-? 6.290 122.985 4.75E+06 3.67E+07 bx E624HN-E624N 9.118 127.593 8.27E+06 6.26E+07 bx E535HN-E535N 9.108 126.947 5.82E+06 4.23E+07 bx D610HN-D610N 9.388 123.092 8.25E+06 6.10E+07 bx K560HN-K560N 7.375 118.051 7.61E+06 5.75E+07 bx Y559HN-Y559N 7.154 113.098 5.42E+06 4.23E+07 bx Y558HN-Y558N 7.803 122.263 7.53E+06 6.00E+07 bx D557HN-D557N 8.814 116.660 1.45E+07 1.11E+08 bx Y555HN-Y555N 8.301 124.471 5.67E+06 4.44E+07 bx S551HN-S551N 9.024 118.274 8.87E+06 6.69E+07 bx G626HN-G626N 7.382 126.638 -1.14E+07 -8.58E+07 bx G582HN-G582N 7.503 124.064 -1.39E+07 -1.02E+08 bx G539HN-G539N 8.233 111.539 8.74E+06 6.47E+07 bx S538HN-S538N 8.067 117.185 1.28E+07 9.85E+07 bx S605HN-S605N 7.837 115.437 1.15E+07 8.36E+07 bx A597HN-A597N 7.662 120.941 7.04E+06 5.72E+07 bx D630HN-D630N 8.440 120.948 3.16E+07 2.21E+08 bx E603HN-E603N 8.711 125.413 1.25E+07 9.21E+07 bx G604HN-G604N 6.938 111.859 5.59E+06 4.00E+07 bx E602HN-E602N 8.552 117.301 1.01E+07 7.38E+07 bx N601HN-N601N 7.424 113.755 7.87E+06 6.06E+07 bx R598HN-R598N 7.291 115.450 8.02E+06 6.12E+07 bx L545HN-L545N 8.714 116.702 1.04E+07 7.96E+07 bx M547HN-M547N 8.208 121.235 7.80E+06 5.56E+07 bx R512HN-R512N 8.151 121.364 1.72E+07 1.23E+08 bx ?-? 8.273 122.934 7.60E+06 5.41E+07 bx K513HN-K513N 8.340 122.261 8.86E+06 6.59E+07 bx M499HN-M499N 8.496 122.244 6.97E+06 5.34E+07 bx ?-? 7.881 122.651 5.66E+06 4.44E+07 bx G585HN-G585N 7.909 128.915 -7.02E+06 -5.41E+07 bx ?-? 7.723 112.574 1.56E+07 1.25E+08 bx I561HN-I561N 6.933 116.460 6.10E+06 4.79E+07 bx R519HN-R519N 7.106 118.303 6.71E+06 5.19E+07 bx N577HN-N577N 8.678 120.633 6.32E+06 4.87E+07 bx ?-? 7.204 119.121 8.05E+06 6.06E+07 bx ?-? 7.067 115.865 7.85E+06 6.01E+07 bx V530HN-V530N 6.755 118.185 7.38E+06 5.47E+07 bx V529HN-V529N 7.724 119.255 1.26E+07 9.89E+07 bx H573HN-H573N 7.257 121.737 8.38E+06 6.29E+07 bx Y608HN-Y608N 7.046 121.252 5.62E+06 4.35E+07 bx V607HN-V607N 8.357 116.557 1.08E+07 8.38E+07 bx L614HN-L614N 7.733 125.421 9.12E+06 5.82E+07 bx Q606HN-Q606N 8.884 123.381 3.52E+06 2.82E+07 bx N609HN-N609N 8.264 117.714 1.15E+07 8.01E+07 bx Y600HN-Y600N 8.208 115.648 5.40E+06 4.25E+07 bx M590HN-M590N 7.690 115.948 1.20E+07 9.09E+07 bx ?-? 7.803 116.679 1.93E+07 1.53E+08 bx R576HN-R576N 8.853 120.636 5.92E+06 4.41E+07 bx ?-? 8.345 120.425 4.89E+07 3.56E+08 bx D631HN-D631N 8.305 120.517 6.72E+07 5.02E+08 bx ?-? 8.250 120.334 3.82E+07 2.79E+08 bx E588HN-E588N 8.214 119.413 1.24E+07 1.12E+08 bx ?-? 8.220 118.872 1.72E+07 1.29E+08 bx D554HN-D554N 7.916 117.716 8.72E+06 6.54E+07 bx K549HN-K549N 7.936 118.200 6.35E+06 5.33E+07 bx H612HN-H612N 8.471 119.793 8.31E+06 6.22E+07 bx E620HN-E620N 8.519 119.731 1.21E+07 9.54E+07 bx C543HN-C543N 9.783 113.943 6.92E+06 5.08E+07 bx E583HN-E583N 9.394 118.145 4.72E+06 3.58E+07 bx N596HN-N596N 9.008 119.637 7.00E+06 5.21E+07 bx M566HN-M566N 8.621 118.678 6.20E+06 4.88E+07 bx F527HN-F527N 8.525 118.987 6.30E+06 4.86E+07 bx Q521HN-Q521N 7.734 119.975 1.25E+07 9.55E+07 bx H599HN-H599N 7.969 120.214 1.21E+07 1.03E+08 bx ?-? 8.157 120.352 1.18E+07 9.61E+07 bx K619HN-K619N 7.906 118.654 6.53E+06 5.32E+07 bx K520HN-K520N 7.640 119.456 1.06E+07 8.48E+07 bx K623HN-K623N 7.551 119.614 9.95E+06 7.79E+07 bx L531HN-L531N 7.546 119.397 9.07E+06 7.73E+07 bx R622HN-R622N 8.061 119.399 1.02E+07 8.35E+07 bx E532HN-E532N 7.885 112.398 8.53E+06 6.65E+07 bx ?-? 7.971 114.950 5.99E+06 4.17E+07 bx K621HN-K621N 8.257 118.141 8.92E+06 6.80E+07 bx D589HN-D589N 7.711 113.560 9.35E+06 6.54E+07 bx K591HN-K591N 8.249 114.587 8.34E+06 6.41E+07 bx D544HN-D544N 7.335 123.591 1.61E+07 1.16E+08 bx N528HN-N528N 8.450 115.889 8.42E+06 6.08E+07 bx ?-? 8.060 122.151 1.21E+07 9.61E+07 bx I587HN-I587N 8.543 121.515 5.73E+06 4.14E+07 bx ?-? 8.177 118.001 7.35E+06 5.62E+07 bx ?-? 8.365 118.934 7.62E+06 5.84E+07 bx I500HN-I500N 8.096 121.719 5.73E+07 3.80E+08 bx L628HN-L628N 8.548 124.248 1.67E+07 1.21E+08 bx V548HN-V548N 7.741 115.940 9.96E+06 7.02E+07 bx I575HN-I575N 7.694 119.846 6.80E+06 5.09E+07 bx R534HN-R534N 8.653 122.655 8.16E+06 6.47E+07 bx F546HN-F546N 8.114 117.191 8.01E+06 6.19E+07 bx A510HN-A510N 8.323 125.685 5.16E+06 4.46E+07 bx ?-? 6.749 123.758 5.62E+06 4.07E+07 bx I562HN-I562N 8.082 122.174 1.11E+07 8.79E+07 bx ?-? 7.076 113.135 9.29E+06 6.86E+07 bx D567HN-D567N 7.570 123.219 6.61E+06 5.10E+07 bx ?-? 7.952 116.419 6.43E+06 4.75E+07 bx ?-? 7.972 116.961 1.10E+07 8.17E+07 bx ?-? 7.992 119.402 1.27E+07 1.06E+08 bx E615HN-E615N 7.768 118.723 5.38E+06 4.30E+07 bx R595HN-R595N 8.888 121.928 6.67E+06 5.16E+07 bx A638HN-A638N 8.305 123.788 5.93E+07 3.84E+08 bx ?-L625N 7.550 128.695 9.18E+06 7.04E+07 bx ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . 1H 1 H . aliased 16 ppm . . . . . . 51329 1 2 . . 15N 15 N . folded 30 ppm . . . . . . 51329 1 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 1 $software_1 . . 51329 1 2 $software_2 . . 51329 1 3 $software_3 . . 51329 1 stop_ save_ save_spectral_peak_list_2 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_2 _Spectral_peak_list.Entry_ID 51329 _Spectral_peak_list.ID 2 _Spectral_peak_list.Name HNCACB _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 2 _Spectral_peak_list.Experiment_name '3D HNCACB' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; Assignment w1 w2 w3 Height Volume R522HN-R522N-R522CB 9.637 121.418 28.210 -5.52E+06 -1.34E+08 bx R522HN-R522N-R522CA 9.634 121.418 60.846 9.41E+06 2.15E+08 bx Q644HN-Q644N-Q644CB 7.737 126.022 30.541 -5.20E+08 -1.07E+10 bx Q644HN-Q644N-Q644CA 7.737 126.022 57.520 8.84E+08 1.77E+10 bx F643HN-F643N-F643CB 7.977 121.109 39.664 -1.64E+08 -3.60E+09 bx F643HN-F643N-F643CA 7.984 121.109 57.549 2.44E+08 5.17E+09 bx Y642HN-Y642N-Y642CB 7.946 119.344 38.729 -2.09E+08 -4.38E+09 bx Y642HN-Y642N-Y642CA 7.946 119.344 57.852 2.20E+08 4.73E+09 bx L641HN-L641N-L641CB 8.000 121.952 42.353 -1.26E+08 -2.70E+09 bx L641HN-L641N-L641CA 8.000 121.952 55.474 1.29E+08 2.85E+09 bx A638HN-A638N-A638CB 8.309 123.826 19.208 -1.53E+08 -3.07E+09 bx A638HN-A638N-A638CA 8.312 123.758 52.899 1.57E+08 3.29E+09 bx S636HN-S636N-S636CA 8.266 116.537 56.443 7.59E+07 1.65E+09 bx S636HN-S636N-S636CB 8.266 116.617 63.461 -1.07E+08 -2.29E+09 bx T504HN-T504N-T504CA 8.095 112.574 61.775 2.71E+07 5.60E+08 bx T504HN-T504N-T504CB 8.091 112.574 69.818 -2.87E+07 -6.50E+08 bx G508HN-G508N-G508CA 8.521 111.127 45.841 2.30E+07 5.10E+08 bx S636HN-S636N-S636CB 8.267 116.416 63.466 -9.05E+07 -1.97E+09 bx A635HN-A635N-A635CB 8.171 124.550 19.371 -1.37E+08 -2.76E+09 bx A635HN-A635N-A635CA 8.171 124.550 52.524 1.50E+08 3.10E+09 bx M634HN-M634N-M634CB 8.212 119.987 32.836 -6.41E+07 -1.42E+09 bx M634HN-M634N-M634CA 8.213 119.986 55.459 1.93E+08 4.14E+09 bx T507HN-T507N-T507CA 8.204 114.438 62.607 7.33E+06 1.72E+08 bx T507HN-T507N-T507CB 8.204 114.438 69.539 -1.07E+07 -2.46E+08 bx D506HN-D506N-D506CB 8.416 122.687 41.240 -1.24E+07 -2.69E+08 bx D506HN-D506N-D506CA 8.422 122.687 54.408 1.13E+07 2.40E+08 bx S505HN-S505N-S505CA 8.237 117.710 58.521 5.92E+06 1.40E+08 bx S505HN-S505N-S505CB 8.237 117.710 64.183 -6.72E+06 -1.51E+08 bx K511HN-K511N-K511CA 8.150 119.748 57.018 2.63E+07 5.68E+08 bx K511HN-K511N-K511CB 8.146 119.750 32.803 -2.20E+07 -4.82E+08 bx S501HN-S501N-S501CA 8.375 119.926 58.299 1.72E+07 3.93E+08 bx S501HN-S501N-S501CB 8.379 119.893 64.056 -2.90E+07 -6.48E+08 bx A533HN-A533N-A533CA 6.797 122.605 54.154 2.52E+07 5.47E+08 bx A533HN-A533N-A533CB 6.796 122.563 19.471 -1.88E+07 -4.17E+08 bx K560HN-K560N-K560CB 7.376 118.057 32.927 -6.49E+06 -1.51E+08 bx K560HN-K560N-K560CA 7.376 118.053 57.397 1.06E+07 2.41E+08 bx Y559HN-Y559N-Y559CB 7.156 113.095 38.143 -3.75E+06 -8.96E+07 bx Y559HN-Y559N-Y559CA 7.156 113.095 60.159 5.51E+06 1.27E+08 bx Y558HN-Y558N-Y558CB 7.802 122.237 38.614 -4.95E+06 -1.08E+08 bx Y558HN-Y558N-Y558CA 7.807 122.237 62.159 7.84E+06 1.78E+08 bx D557HN-D557N-D557CB 8.810 116.671 39.996 -2.29E+07 -4.98E+08 bx D557HN-D557N-D557CA 8.811 116.692 56.346 2.38E+07 5.18E+08 bx G626HN-G626N-G626CA 7.386 126.652 44.596 -2.18E+07 -4.87E+08 bx G582HN-G582N-G582CA 7.508 124.045 44.719 -2.45E+07 -5.36E+08 bx G539HN-G539N-G539CA 8.232 111.502 46.091 5.95E+06 1.36E+08 bx S538HN-S538N-S538CA 8.075 117.157 58.877 6.42E+06 1.45E+08 bx S538HN-S538N-S538CB 8.067 117.179 64.021 -7.48E+06 -1.68E+08 bx S605HN-S605N-S605CA 7.840 115.439 58.391 1.06E+07 2.40E+08 bx S605HN-S605N-S605CB 7.842 115.448 65.432 -1.10E+07 -2.46E+08 bx A597HN-A597N-A597CB 7.660 120.958 18.767 -5.81E+06 -1.32E+08 bx A597HN-A597N-A597CA 7.667 120.958 55.263 9.77E+06 2.18E+08 bx E624HN-E624N-E624CB 9.122 127.604 30.118 -4.86E+06 -1.14E+08 bx E624HN-E624N-E624CA 9.105 127.604 57.104 8.31E+06 1.95E+08 bx D630HN-D630N-D630CB 8.442 120.966 41.394 -7.10E+07 -1.50E+09 bx D630HN-D630N-D630CA 8.437 120.966 54.578 6.29E+07 1.32E+09 bx E603HN-E603N-E603CB 8.705 125.399 28.947 -7.20E+06 -1.63E+08 bx E603HN-E603N-E603CA 8.720 125.399 57.824 1.03E+07 2.28E+08 bx R512HN-R512N-R512CB 8.153 121.331 30.701 -2.34E+07 -5.23E+08 bx R512HN-R512N-R512CA 8.151 121.331 56.978 4.02E+07 8.84E+08 bx K513HN-K513N-K513CB 8.341 122.269 33.017 -9.82E+06 -2.23E+08 bx K513HN-K513N-K513CA 8.341 122.269 56.962 1.51E+07 3.41E+08 bx M499HN-M499N-M499CB 8.499 122.269 32.663 -5.01E+06 -1.20E+08 bx M499HN-M499N-M499CA 8.499 122.269 55.880 1.63E+07 3.56E+08 bx I561HN-I561N-I561CB 6.937 116.447 40.327 -5.72E+06 -1.37E+08 bx I561HN-I561N-I561CA 6.937 116.447 62.183 9.24E+06 2.11E+08 bx R519HN-R519N-R519CB 7.105 118.307 29.537 -3.84E+06 -8.75E+07 bx R519HN-R519N-R519CA 7.113 118.307 60.349 7.63E+06 1.73E+08 bx N577HN-N577N-N577CB 8.680 120.667 37.987 -6.05E+06 -1.40E+08 bx V530HN-V530N-V530CB 6.765 118.208 31.471 -7.34E+06 -1.73E+08 bx V530HN-V530N-V530CA 6.765 118.208 65.288 9.67E+06 2.27E+08 bx V607HN-V607N-V607CB 8.366 116.522 31.813 -4.51E+06 -1.06E+08 bx V607HN-V607N-V607CA 8.366 116.522 65.652 7.59E+06 1.76E+08 bx Q606HN-Q606N-Q606CA 8.887 123.367 60.027 4.35E+06 9.54E+07 bx H612HN-H612N-H612CB 8.466 119.737 30.437 -1.21E+07 -2.60E+08 bx H612HN-H612N-H612CA 8.473 119.737 56.748 1.45E+07 3.16E+08 bx K619HN-K619N-K619CB 7.899 118.646 32.460 -5.10E+06 -1.19E+08 bx K619HN-K619N-K619CA 7.914 118.646 60.189 7.72E+06 1.77E+08 bx L618HN-L618N-L618CB 8.070 120.543 42.255 -1.15E+07 -2.64E+08 bx L618HN-L618N-L618CA 8.074 120.543 58.303 8.25E+06 1.86E+08 bx H599HN-H599N-H599CB 7.970 120.223 32.701 -6.89E+06 -1.58E+08 bx H599HN-H599N-H599CA 7.976 120.223 59.810 5.97E+06 1.37E+08 bx D631HN-D631N-D631CB 8.304 120.517 41.225 -2.38E+08 -5.14E+09 bx D631HN-D631N-D631CA 8.304 120.517 54.722 2.16E+08 4.68E+09 bx L531HN-L531N-L531CB 7.544 119.377 42.927 -5.96E+06 -1.33E+08 bx L531HN-L531N-L531CA 7.544 119.377 56.824 7.45E+06 1.66E+08 bx E532HN-E532N-E532CB 7.893 112.385 30.122 -8.64E+06 -2.00E+08 bx E532HN-E532N-E532CA 7.885 112.385 56.002 9.65E+06 2.25E+08 bx K623HN-K623N-K623CB 7.553 119.637 32.102 -6.89E+06 -1.55E+08 bx K623HN-K623N-K623CA 7.553 119.637 59.867 1.23E+07 2.83E+08 bx E588HN-E588N-E588CA 8.214 119.418 59.215 1.45E+07 3.44E+08 bx E588HN-E588N-E588CB 8.214 119.418 30.548 -6.62E+06 -1.63E+08 bx D589HN-D589N-D589CB 7.719 113.556 38.493 -8.23E+06 -1.87E+08 bx D589HN-D589N-D589CA 7.713 113.556 53.365 8.02E+06 1.81E+08 bx Y555HN-Y555N-Y555CA 8.300 124.489 59.769 4.99E+06 1.12E+08 bx D544HN-D544N-D544CB 7.339 123.597 40.552 -1.60E+07 -3.54E+08 bx D544HN-D544N-D544CA 7.333 123.597 59.091 2.19E+07 4.88E+08 bx C543HN-C543N-C543CB 9.795 113.905 27.044 -6.58E+06 -1.53E+08 bx C543HN-C543N-C543CA 9.782 113.905 59.642 8.80E+06 2.03E+08 bx K520HN-K520N-K520CA 7.637 119.450 59.595 1.24E+07 2.80E+08 bx K520HN-K520N-K520CB 7.642 119.450 32.160 -7.03E+06 -1.52E+08 bx R595HN-R595N-R595CB 8.883 121.979 30.137 -2.55E+06 -6.75E+07 bx R595HN-R595N-R595CA 8.890 121.979 60.122 7.77E+06 1.75E+08 bx E583HN-E583N-E583CB 9.392 118.116 29.252 -2.30E+06 -4.93E+07 bx E583HN-E583N-E583CA 9.396 118.116 58.637 2.67E+06 6.07E+07 bx I525HN-I525N-I525CB 9.454 124.660 38.605 -2.99E+06 -6.15E+07 bx I525HN-I525N-I525CA 9.458 124.660 65.345 5.21E+06 1.13E+08 bx R576HN-R576N-R576CB 8.850 120.645 29.538 -2.86E+06 -6.44E+07 bx I587HN-I587N-I587CB 8.549 121.491 38.807 -4.42E+06 -1.02E+08 bx N596HN-N596N-N596CB 9.011 119.590 37.936 -5.93E+06 -1.36E+08 bx N596HN-N596N-N596CA 9.017 119.590 55.467 4.61E+06 1.11E+08 bx K591HN-K591N-K591CB 8.258 114.571 32.272 -8.02E+06 -1.74E+08 bx K591HN-K591N-K591CA 8.248 114.571 56.567 1.07E+07 2.46E+08 bx M590HN-M590N-M590CB 7.692 115.945 38.821 -1.99E+07 -4.45E+08 bx M590HN-M590N-M590CA 7.692 115.945 55.950 1.05E+07 2.40E+08 bx D554HN-D554N-D554CB 7.922 117.712 42.018 -5.68E+06 -1.33E+08 bx D554HN-D554N-D554CA 7.916 117.712 56.910 1.15E+07 2.42E+08 bx K549HN-K549N-K549CB 7.935 118.186 31.871 -3.19E+06 -7.38E+07 bx K549HN-K549N-K549CA 7.942 118.186 60.596 6.77E+06 1.59E+08 bx V548HN-V548N-V548CB 7.756 115.936 34.614 -3.46E+06 -8.47E+07 bx V548HN-V548N-V548CA 7.743 115.941 60.717 1.05E+07 2.33E+08 bx Q521HN-Q521N-Q521CB 7.741 119.984 29.888 -8.93E+06 -1.87E+08 bx E535HN-E535N-E535CB 9.101 126.965 32.392 -4.59E+06 -1.02E+08 bx E535HN-E535N-E535CA 9.110 126.965 54.066 6.91E+06 1.62E+08 bx E620HN-E620N-E620CB 8.516 119.734 29.156 -7.34E+06 -1.72E+08 bx E620HN-E620N-E620CA 8.524 119.734 59.314 1.58E+07 3.57E+08 bx K621HN-K621N-K621CB 8.258 118.143 32.122 -3.60E+06 -8.28E+07 bx K621HN-K621N-K621CA 8.251 118.143 60.112 5.60E+06 1.38E+08 bx L545HN-L545N-L545CB 8.724 116.704 39.902 -9.21E+06 -2.17E+08 bx N528HN-N528N-N528CB 8.458 115.874 38.243 -8.63E+06 -1.92E+08 bx N528HN-N528N-N528CA 8.454 115.874 55.934 8.62E+06 1.92E+08 bx L545HN-L545N-L545CA 8.717 116.718 56.341 1.40E+07 3.21E+08 bx F546HN-F546N-F546CB 8.125 117.207 39.338 -6.85E+06 -1.57E+08 bx F546HN-F546N-F546CA 8.121 117.207 57.991 6.50E+06 1.55E+08 bx I575HN-I575N-I575CB 7.699 119.874 39.009 -4.16E+06 -9.06E+07 bx I575HN-I575N-I575CA 7.699 119.874 66.453 4.69E+06 1.06E+08 bx G585HN-G585N-G585CA 7.916 129.006 47.199 -5.02E+06 -1.13E+08 bx A510HN-A510N-A510CA 8.313 125.667 53.662 9.69E+06 1.91E+08 bx R622HN-R622N-R622CB 8.057 119.393 29.710 -8.35E+06 -2.01E+08 bx R622HN-R622N-R622CA 8.051 119.393 60.161 1.28E+07 2.94E+08 bx I500HN-I500N-I500CB 8.090 121.717 38.670 -1.09E+08 -2.34E+09 bx M566HN-M566N-M566CB 8.621 118.698 32.832 -5.95E+06 -1.43E+08 bx M566HN-M566N-M566CA 8.621 118.698 53.556 5.35E+06 1.26E+08 bx R576HN-R576N-R576CA 8.852 120.544 60.512 5.38E+06 1.21E+08 bx N609HN-N609N-N609CB 8.256 117.752 38.368 -6.24E+06 -1.43E+08 bx N609HN-N609N-N609CA 8.253 117.761 56.312 6.20E+06 1.21E+08 bx D610HN-D610N-D610CB 9.388 123.127 40.347 -7.00E+06 -1.64E+08 bx D610HN-D610N-D610CA 9.399 123.127 57.789 7.57E+06 1.70E+08 bx L628HN-L628N-L628CB 8.553 124.251 42.180 -2.76E+07 -6.02E+08 bx L628HN-L628N-L628CA 8.549 124.251 53.318 2.83E+07 6.27E+08 bx D567HN-D567N-D567CB 7.574 123.161 42.472 -6.59E+06 -1.52E+08 bx D567HN-D567N-D567CA 7.579 123.161 53.766 8.59E+06 1.97E+08 bx H573HN-H573N-H573CB 7.256 121.679 39.479 -5.65E+06 -1.31E+08 bx H573HN-H573N-H573CA 7.256 121.679 57.954 6.11E+06 1.31E+08 bx E615HN-E615N-E615CB 7.772 118.723 33.566 -2.84E+06 -7.03E+07 bx E615HN-E615N-E615CA 7.766 118.723 60.098 4.82E+06 1.03E+08 bx I562HN-I562N-I562CB 8.084 122.190 33.891 -4.35E+06 -1.07E+08 bx I562HN-I562N-I562CA 8.090 122.190 57.344 1.02E+07 2.42E+08 bx I587HN-I587N-I587CA 8.554 121.560 66.151 5.20E+06 1.20E+08 bx F527HN-F527N-F527CB 8.529 118.989 39.903 -2.59E+06 -6.22E+07 bx F527HN-F527N-F527CA 8.533 118.989 62.187 6.05E+06 1.36E+08 bx N577HN-N577N-N577CA 8.684 120.586 55.134 6.94E+06 1.53E+08 bx G604HN-G604N-G604CA 6.939 111.852 45.120 4.21E+06 9.40E+07 bx L625HN-L625N-? 7.735 128.741 30.647 1.09E+07 2.45E+08 bx M499HN-M499N-S498CA 8.502 122.208 58.647 3.14E+06 7.37E+07 bx M499HN-M499N-S498CB 8.499 122.208 63.614 -6.24E+06 -1.44E+08 bx I500HN-I500N-M499CB 8.082 121.706 32.609 -1.63E+07 -3.93E+08 bx I500HN-I500N-M499CA 8.097 121.706 55.821 6.61E+07 1.42E+09 bx I500HN-I500N-I500CA 8.093 121.706 61.345 1.37E+08 2.93E+09 bx S501HN-S501N-I500CA 8.379 119.878 61.320 8.34E+06 1.87E+08 bx S501HN-S501N-I500CB 8.379 119.919 38.623 -6.89E+06 -1.55E+08 bx A503HN-A503N-S502CB 8.353 125.830 63.829 -5.30E+06 -1.19E+08 bx A503HN-A503N-S502CA 8.353 125.830 58.309 2.91E+06 6.50E+07 bx A503HN-A503N-A503CB 8.351 125.830 19.137 -1.55E+07 -3.42E+08 bx A503HN-A503N-A503CA 8.351 125.830 52.987 1.81E+07 4.06E+08 bx T504HN-T504N-A503CA 8.105 112.513 52.931 8.98E+06 2.03E+08 bx T504HN-T504N-A503CB 8.083 112.513 19.331 -8.41E+06 -1.84E+08 bx S505HN-S505N-T504CA 8.250 117.713 61.774 2.94E+06 6.65E+07 bx S505HN-S505N-T504CB 8.232 117.713 69.714 -1.77E+06 -3.80E+07 bx K513HN-K513N-R512CB 8.344 122.256 30.748 -1.89E+06 -4.68E+07 bx R512HN-R512N-K511CB 8.151 121.352 32.679 -8.41E+06 -1.87E+08 bx A510HN-A510N-A510CB 8.335 125.672 19.170 -1.12E+07 -2.50E+08 bx A510HN-A510N-S509CB 8.315 125.672 63.593 -5.63E+06 -1.14E+08 bx A510HN-A510N-S509CA 8.328 125.672 58.978 2.12E+06 5.81E+07 bx G508HN-G508N-T507CB 8.525 111.146 69.561 -3.46E+06 -7.83E+07 bx G508HN-G508N-T507CA 8.515 111.146 62.460 2.57E+06 4.83E+07 bx D506HN-D506N-S505CA 8.419 122.712 58.451 4.72E+06 1.06E+08 bx T507HN-T507N-D506CB 8.209 114.450 41.145 -2.94E+06 -6.09E+07 bx T507HN-T507N-D506CA 8.199 114.450 54.355 3.21E+06 5.76E+07 bx K511HN-K511N-A510CB 8.146 119.783 19.081 -7.82E+06 -1.60E+08 bx K511HN-K511N-A510CA 8.146 119.783 53.480 1.19E+07 2.47E+08 bx Q644HN-Q644N-F643CB 7.736 126.063 39.792 -1.97E+08 -4.04E+09 bx Q644HN-Q644N-F643CA 7.736 126.063 57.369 8.95E+08 1.79E+10 bx F643HN-F643N-Y642CA 7.980 121.125 57.697 2.70E+08 5.60E+09 bx F643HN-F643N-Y642CB 7.978 121.125 38.818 -6.00E+07 -1.54E+09 bx Y642HN-Y642N-L641CB 7.944 119.342 42.403 -7.16E+07 -1.54E+09 bx Y642HN-Y642N-L641CA 7.939 119.342 55.489 7.00E+07 1.50E+09 bx L641HN-L641N-Y642CB 8.006 121.951 38.781 -7.86E+07 -1.66E+09 bx L641HN-L641N-N640CA 8.006 121.951 53.384 5.72E+07 1.24E+09 bx D506HN-D506N-S505CB 8.422 122.774 64.130 -4.25E+06 -9.98E+07 bx Q521HN-Q521N-K520CB 7.737 120.016 32.269 -3.16E+06 -6.52E+07 bx Q521HN-Q521N-Q521CA 7.736 119.979 58.724 1.61E+07 3.78E+08 bx Q521HN-Q521N-K520CA 7.732 119.974 59.468 7.91E+06 2.01E+08 bx R522HN-R522N-Q521CB 9.628 121.424 29.770 -1.42E+06 -3.28E+07 bx R522HN-R522N-Q521CA 9.641 121.424 58.757 3.06E+06 6.95E+07 bx K520HN-K520N-R519CB 7.636 119.375 29.561 -2.94E+06 -6.50E+07 bx K520HN-K520N-R519CA 7.650 119.375 60.198 7.83E+06 1.92E+08 bx R519HN-R519N-I518CA 7.106 118.304 57.656 2.19E+06 5.07E+07 bx R534HN-R534N-A533CB 8.657 122.661 19.435 -4.46E+06 -1.03E+08 bx R534HN-R534N-R534CB 8.653 122.685 34.453 -6.60E+06 -1.47E+08 bx R534HN-R534N-R534CA 8.658 122.685 53.658 1.14E+07 2.69E+08 bx H573HN-H573N-E572CA 7.267 121.743 59.976 5.03E+06 1.06E+08 bx D567HN-D567N-M566CB 7.572 123.224 32.631 -2.16E+06 -4.37E+07 bx M566HN-M566N-P565CA 8.640 118.708 62.614 2.75E+06 6.11E+07 bx F527HN-F527N-L526CA 8.536 119.010 57.908 2.22E+06 4.71E+07 bx F527HN-F527N-L526CB 8.530 119.010 42.383 -2.23E+06 -4.39E+07 bx N528HN-N528N-F527CB 8.452 115.852 40.148 -2.06E+06 -3.98E+07 bx V529HN-V529N-N528CB 7.725 119.305 38.327 -3.59E+06 -9.03E+07 bx V529HN-V529N-V529CB 7.725 119.305 31.539 -6.75E+06 -1.59E+08 bx V529HN-V529N-N528CA 7.730 119.305 56.009 4.32E+06 9.69E+07 bx V529HN-V529N-V529CA 7.720 119.305 65.686 1.47E+07 3.29E+08 bx L531HN-L531N-V530CA 7.544 119.385 65.539 2.99E+06 5.85E+07 bx L531HN-L531N-V530CB 7.549 119.385 31.626 -5.17E+06 -1.17E+08 bx E532HN-E532N-L531CA 7.891 112.386 56.801 4.29E+06 1.08E+08 bx E532HN-E532N-L531CB 7.889 112.386 42.772 -1.35E+06 -3.20E+07 bx A533HN-A533N-E532CA 6.795 122.573 56.099 6.00E+06 1.22E+08 bx A533HN-A533N-E532CB 6.781 122.630 30.106 -2.11E+06 -5.55E+07 bx E535HN-E535N-R534CB 9.109 126.891 34.599 -2.76E+06 -5.73E+07 bx S538HN-S538N-G537CA 8.073 117.208 46.710 2.35E+06 4.62E+07 bx I562HN-I562N-? 8.091 122.169 61.506 1.90E+07 4.91E+08 bx I562HN-I562N-I561CB 8.086 122.251 40.348 -1.48E+06 -3.37E+07 bx I561HN-I561N-K560CA 6.938 116.469 57.372 1.53E+06 3.26E+07 bx I561HN-I561N-K560CB 6.934 116.469 32.998 -2.09E+06 -3.97E+07 bx K560HN-K560N-Y559CB 7.375 118.095 38.200 -2.71E+06 -5.40E+07 bx K560HN-K560N-Y559CA 7.386 118.095 60.232 2.44E+06 5.54E+07 bx Y558HN-Y558N-D557CA 7.809 122.280 56.450 2.99E+06 7.59E+07 bx Y558HN-Y558N-F527CB 7.806 122.280 39.935 -4.02E+06 -9.26E+07 bx D557HN-D557N-P556CB 8.801 116.671 31.489 -4.02E+06 -9.73E+07 bx D557HN-D557N-P556CA 8.801 116.671 65.616 4.34E+06 9.92E+07 bx Y555HN-Y555N-? 8.302 124.481 56.696 -4.10E+06 -8.47E+07 bx Y555HN-Y555N-D554CB 8.303 124.481 41.912 8.58E+05 3.31E+07 bx D554HN-D554N-K553CA 7.916 117.707 58.757 3.24E+06 8.00E+07 bx K549HN-K549N-V548CB 7.944 118.210 34.513 -1.97E+06 -5.04E+07 bx D544HN-D544N-C543CB 7.342 123.583 27.117 -3.64E+06 -7.68E+07 bx L545HN-L545N-D544CA 8.719 116.742 58.952 2.55E+06 5.69E+07 bx L545HN-L545N-D544CB 8.708 116.742 40.542 -5.49E+06 -1.36E+08 bx F546HN-F546N-L545CA 8.118 117.211 56.266 1.63E+06 3.00E+07 bx F546HN-F546N-L545CB 8.121 117.211 39.989 -2.74E+06 -7.32E+07 bx M547HN-M547N-F546CB 8.211 121.232 39.424 -4.06E+06 -9.68E+07 bx M547HN-M547N-F546CA 8.211 121.232 57.910 3.51E+06 1.02E+08 bx M547HN-M547N-M547CB 8.224 121.251 31.763 -2.33E+06 -6.19E+07 bx V548HN-V548N-M547CB 7.740 115.930 31.939 -1.81E+06 -3.34E+07 bx M547HN-M547N-M547CA 8.210 121.226 59.287 7.06E+06 1.60E+08 bx N640HN-N640N-N640CB 8.305 118.914 38.796 -6.51E+07 -1.46E+09 bx N640HN-N640N-E639CB 8.295 118.914 30.448 -4.43E+07 -1.02E+09 bx N640HN-N640N-N640CA 8.305 118.914 53.421 5.71E+07 1.25E+09 bx N640HN-N640N-E639CA 8.298 118.914 56.767 5.13E+07 1.16E+09 bx G604HN-G604N-E603CB 6.940 111.862 29.041 -2.75E+06 -6.00E+07 bx G604HN-G604N-E603CA 6.942 111.862 57.962 1.71E+06 3.81E+07 bx E603HN-E603N-E602CB 8.720 125.442 30.763 -5.18E+06 -1.14E+08 bx E603HN-E603N-E602CA 8.713 125.442 56.176 1.05E+07 2.20E+08 bx E602HN-E602N-N601CB 8.561 117.351 41.303 -5.45E+06 -1.15E+08 bx E602HN-E602N-N601CA 8.554 117.351 52.954 4.74E+06 9.58E+07 bx E602HN-E602N-E602CB 8.547 117.351 30.666 -1.07E+07 -2.40E+08 bx E602HN-E602N-E602CA 8.547 117.351 56.210 1.27E+07 2.90E+08 bx N601HN-N601N-Y600CA 7.406 113.800 60.855 1.98E+06 4.53E+07 bx N601HN-N601N-Y600CB 7.430 113.800 40.406 -2.17E+06 -5.20E+07 bx N601HN-N601N-N601CB 7.420 113.800 41.356 -6.80E+06 -1.60E+08 bx N601HN-N601N-N601CA 7.420 113.800 53.068 7.67E+06 1.79E+08 bx 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2.96E+07 bx I587HN-I587N-M586CA 8.547 121.496 55.059 1.75E+06 4.14E+07 bx I587HN-I587N-M586CB 8.543 121.496 38.212 -3.28E+06 -7.71E+07 bx G585HN-G585N-E584CB 7.926 128.989 28.148 2.03E+06 5.24E+07 bx G585HN-G585N-E584CA 7.924 128.989 60.697 -1.44E+06 -2.86E+07 bx E583HN-E583N-G582CA 9.401 118.116 44.604 2.66E+06 6.50E+07 bx G582HN-G582N-A581CB 7.506 124.022 18.534 2.33E+06 5.27E+07 bx G582HN-G582N-A581CA 7.518 124.022 53.095 -2.14E+06 -4.70E+07 bx N577HN-N577N-R576CB 8.680 120.559 29.716 -3.31E+06 -6.71E+07 bx N577HN-N577N-R576CA 8.680 120.559 60.663 1.79E+06 4.26E+07 bx R576HN-R576N-I575CB 8.851 120.640 39.003 -1.62E+06 -3.26E+07 bx R576HN-R576N-I575CA 8.855 120.675 66.465 1.75E+06 4.11E+07 bx R576HN-R576N-R576CA 8.846 120.675 60.574 6.13E+06 1.37E+08 bx I575HN-I575N-N574CA 7.725 119.817 59.007 8.93E+06 2.08E+08 bx V607HN-V607N-Q606CB 8.359 116.522 30.700 -9.90E+05 -3.82E+07 bx V607HN-V607N-Q606CA 8.354 116.522 60.107 3.93E+06 8.35E+07 bx H612HN-H612N-A611CB 8.464 119.800 19.429 -7.22E+06 -1.52E+08 bx H612HN-H612N-A611CA 8.472 119.800 52.952 7.27E+06 1.58E+08 bx D610HN-D610N-N609CB 9.389 123.108 38.348 -2.90E+06 -6.15E+07 bx D610HN-D610N-N609CA 9.389 123.108 56.272 2.79E+05 9.08E+06 bx N609HN-N609N-Y608CB 8.273 117.736 40.325 -3.03E+06 -5.68E+07 bx N609HN-N609N-Y608CA 8.257 117.736 61.857 3.63E+06 7.95E+07 bx A638HN-A638N-P637CB 8.308 123.811 32.037 -4.60E+07 -9.88E+08 bx A638HN-A638N-P637CA 8.308 123.811 63.352 7.52E+07 1.58E+09 bx K623HN-K623N-R622CB 7.555 119.633 29.499 -8.49E+05 -1.90E+07 bx K623HN-K623N-R622CA 7.549 119.633 60.366 7.14E+06 1.75E+08 bx K621HN-K621N-E620CB 8.272 118.128 29.039 -1.28E+06 -2.06E+07 bx K621HN-K621N-E620CA 8.262 118.128 59.269 2.80E+06 7.62E+07 bx E620HN-E620N-K619CA 8.523 119.720 60.185 5.76E+06 1.47E+08 bx E620HN-E620N-K619CB 8.526 119.720 32.572 -2.74E+06 -5.82E+07 bx K619HN-K619N-L618CB 7.911 118.676 42.415 -2.69E+06 -5.63E+07 bx K619HN-K619N-L618CA 7.911 118.676 58.263 1.80E+06 2.69E+07 bx L618HN-L618N-L617CB 8.072 120.533 42.139 -1.08E+07 -2.52E+08 bx L618HN-L618N-L617CA 8.074 120.533 58.095 7.18E+06 1.67E+08 bx E615HN-E615N-L614CB 7.767 118.726 42.038 -2.21E+06 -4.73E+07 bx L614HN-L614N-I613CB 7.737 125.330 39.682 1.06E+07 2.16E+08 bx L614HN-L614N-I613CA 7.728 125.330 57.421 -3.62E+07 -7.22E+08 bx L614HN-L614N-L614CB 7.732 125.330 41.909 -6.35E+06 -1.41E+08 bx L614HN-L614N-L614CA 7.726 125.330 56.069 1.30E+07 3.23E+08 bx A635HN-A635N-M634CA 8.174 124.576 55.546 4.12E+07 8.92E+08 bx A635HN-A635N-M634CB 8.173 124.576 32.845 -1.61E+07 -3.54E+08 bx M634HN-M634N-D633CB 8.214 119.984 41.258 -6.19E+07 -1.37E+09 bx M634HN-M634N-D633CA 8.214 119.984 54.727 6.51E+07 1.84E+09 bx D631HN-D631N-D630CA 8.307 120.494 54.604 1.90E+08 4.17E+09 bx D631HN-D631N-D630CB 8.305 120.494 41.295 -2.28E+08 -5.05E+09 bx D630HN-D630N-P629CA 8.443 120.964 62.935 3.71E+07 7.90E+08 bx D630HN-D630N-P629CB 8.441 120.964 32.137 -2.35E+07 -5.19E+08 bx L628HN-L628N-P627CB 8.550 124.249 32.147 -9.38E+06 -2.08E+08 bx L628HN-L628N-P627CA 8.542 124.249 62.792 1.22E+07 2.83E+08 bx G626HN-G626N-L625CB 7.385 126.623 41.751 1.90E+06 4.61E+07 bx G626HN-G626N-L625CA 7.385 126.623 56.772 -2.85E+06 -6.43E+07 bx E624HN-E624N-? 9.118 127.555 31.901 -1.19E+06 -2.76E+07 bx C543HN-C543N-L542CB 9.792 113.873 42.376 -2.30E+06 -5.18E+07 bx V530HN-V530N-V529CB 6.763 118.195 31.509 -7.34E+06 -1.73E+08 bx V530HN-V530N-V529CA 6.767 118.195 65.567 1.00E+07 2.38E+08 bx D544HN-D544N-C543CA 7.331 123.538 59.614 1.14E+07 2.73E+08 bx Q606HN-Q606N-Q606CB 8.890 123.356 30.585 -1.64E+06 -3.67E+07 bx Y608HN-Y608N-Y608CB 7.050 121.208 40.104 -3.14E+06 -7.17E+07 bx Y608HN-Y608N-Y608CA 7.058 121.208 61.751 5.19E+06 1.16E+08 bx Y608HN-Y608N-V607CA 7.058 121.208 65.605 2.03E+06 3.86E+07 bx Y608HN-Y608N-V607CB 7.050 121.208 31.751 -1.46E+06 -2.95E+07 bx L625HN-L625N-? 7.739 128.745 57.480 -2.29E+07 -4.70E+08 bx S551HN-S551N-P550CB 9.013 118.258 32.108 -2.81E+06 -6.28E+07 bx S551HN-S551N-P550CA 9.020 118.258 62.539 4.82E+06 1.03E+08 bx S551HN-S551N-S551CA 9.027 118.258 57.700 5.98E+06 1.37E+08 bx S551HN-S551N-S551CB 9.020 118.258 64.006 -9.19E+06 -2.09E+08 bx ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . 1H 1 H . aliased 16 ppm . . . . . . 51329 2 2 . . 15N 15 N . folded 30 ppm . . . . . . 51329 2 3 . . 13C 13 CA,CB . aliased 60 ppm . . . . . . 51329 2 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 1 $software_1 . . 51329 2 2 $software_2 . . 51329 2 3 $software_3 . . 51329 2 stop_ save_ save_spectral_peak_list_3 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_3 _Spectral_peak_list.Entry_ID 51329 _Spectral_peak_list.ID 3 _Spectral_peak_list.Name HNCOCACB _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 3 _Spectral_peak_list.Experiment_name '3D HNCOCACB' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; Assignment w1 w2 w3 Height Volume M499HN-M499N-S498CA 8.508 122.208 58.596 2.51E+07 5.74E+08 bx M499HN-M499N-S498CB 8.501 122.208 63.698 -5.21E+07 -1.15E+09 bx I500HN-I500N-M499CA 8.092 121.706 55.720 5.34E+08 1.11E+10 bx I500HN-I500N-M499CB 8.094 121.706 32.717 -2.03E+08 -4.25E+09 bx S501HN-S501N-I500CB 8.383 119.919 38.710 -5.58E+07 -1.21E+09 bx S501HN-S501N-I500CA 8.383 119.919 61.455 7.11E+07 1.53E+09 bx A503HN-A503N-S502CA 8.357 125.830 58.405 2.59E+07 5.82E+08 bx A503HN-A503N-S502CB 8.348 125.830 63.873 -4.64E+07 -1.07E+09 bx T504HN-T504N-A503CA 8.097 112.513 53.002 8.58E+07 1.84E+09 bx T504HN-T504N-A503CB 8.112 112.513 19.354 -5.24E+07 -1.20E+09 bx S505HN-S505N-T504CA 8.254 117.713 61.774 2.44E+07 5.42E+08 bx S505HN-S505N-T504CB 8.232 117.713 69.785 -1.25E+07 -3.02E+08 bx K513HN-K513N-R512CB 8.344 122.256 30.748 -2.72E+07 -5.98E+08 bx R512HN-R512N-K511CB 8.145 121.345 32.754 -5.26E+07 -1.18E+09 bx R512HN-R512N-K511CA 8.152 121.345 57.104 6.55E+07 1.43E+09 bx K513HN-K513N-R512CA 8.342 122.308 56.985 2.91E+07 6.32E+08 bx A510HN-A510N-S509CA 8.341 125.679 58.812 1.27E+07 3.34E+08 bx A510HN-A510N-S509CB 8.337 125.679 63.625 -3.01E+07 -7.77E+08 bx G508HN-G508N-T507CA 8.520 111.146 62.556 2.35E+07 5.15E+08 bx G508HN-G508N-T507CB 8.524 111.146 69.439 -3.15E+07 -6.96E+08 bx D506HN-D506N-S505CA 8.418 122.712 58.335 2.47E+07 5.20E+08 bx T507HN-T507N-D506CA 8.206 114.424 54.395 3.78E+07 7.92E+08 bx T507HN-T507N-D506CB 8.205 114.450 41.145 -2.78E+07 -6.80E+08 bx K511HN-K511N-A510CB 8.146 119.783 19.081 -7.16E+07 -1.57E+09 bx K511HN-K511N-A510CA 8.150 119.783 53.522 7.72E+07 1.67E+09 bx Q644HN-Q644N-F643CB 7.736 126.063 39.616 -1.62E+09 -3.37E+10 bx Q644HN-Q644N-F643CA 7.736 126.063 57.550 1.64E+09 3.42E+10 bx F643HN-F643N-Y642CB 7.979 121.125 38.746 -5.28E+08 -1.11E+10 bx F643HN-F643N-Y642CA 7.981 121.125 57.784 5.59E+08 1.17E+10 bx Y642HN-Y642N-L641CB 7.939 119.342 42.415 -5.60E+08 -1.20E+10 bx Y642HN-Y642N-L641CA 7.939 119.342 55.344 6.30E+08 1.35E+10 bx L641HN-L641N-N640CB 8.006 121.951 38.830 -5.68E+08 -1.18E+10 bx L641HN-L641N-N640CA 8.001 121.951 53.286 4.05E+08 8.46E+09 bx D506HN-D506N-S505CB 8.422 122.774 64.100 -3.81E+07 -8.34E+08 bx R522HN-R522N-Q521CA 9.619 121.452 58.604 1.20E+07 2.98E+08 bx Q521HN-Q521N-K520CB 7.742 120.016 32.164 -1.56E+07 -3.67E+08 bx Q521HN-Q521N-K520CA 7.730 119.974 59.564 2.06E+07 4.73E+08 bx R522HN-R522N-Q521CB 9.639 121.424 29.940 -6.31E+06 -1.41E+08 bx K520HN-K520N-R519CB 7.641 119.375 29.506 -1.79E+07 -3.96E+08 bx K520HN-K520N-R519CA 7.647 119.375 60.302 1.71E+07 4.00E+08 bx R519HN-R519N-I518CA 7.106 118.304 57.656 1.19E+07 2.58E+08 bx R519HN-R519N-I518CB 7.119 118.304 43.552 -8.19E+06 -1.84E+08 bx R534HN-R534N-A533CB 8.656 122.661 19.394 -2.16E+07 -4.95E+08 bx R534HN-R534N-A533CA 8.659 122.661 54.101 2.16E+07 4.75E+08 bx H573HN-H573N-E572CA 7.260 121.743 59.848 1.74E+07 3.85E+08 bx H573HN-H573N-E572CB 7.273 121.743 29.208 -1.04E+07 -2.40E+08 bx M566HN-M566N-P565CA 8.638 118.708 62.748 1.64E+07 3.61E+08 bx M566HN-M566N-P565CB 8.622 118.708 33.152 -8.46E+06 -1.86E+08 bx D567HN-D567N-M566CA 7.577 123.224 53.593 1.07E+07 2.42E+08 bx D567HN-D567N-M566CB 7.567 123.224 32.667 -1.05E+07 -2.36E+08 bx I525HN-I525N-K524CB 9.460 124.641 31.637 -6.31E+06 -1.30E+08 bx I525HN-I525N-K524CA 9.459 124.641 59.705 1.03E+07 2.29E+08 bx F527HN-F527N-L526CA 8.530 119.010 57.727 1.04E+07 2.35E+08 bx F527HN-F527N-L526CB 8.528 119.010 42.237 -7.82E+06 -1.92E+08 bx N528HN-N528N-F527CB 8.459 115.852 40.023 -1.01E+07 -2.30E+08 bx N528HN-N528N-F527CA 8.458 115.852 62.223 1.68E+07 3.64E+08 bx V529HN-V529N-N528CB 7.718 119.305 38.055 -1.30E+07 -3.25E+08 bx V529HN-V529N-N528CA 7.731 119.305 56.050 1.92E+07 4.26E+08 bx V530HN-V530N-V529CB 6.759 118.213 31.424 -1.15E+07 -2.55E+08 bx V530HN-V530N-V529CA 6.767 118.213 65.556 1.84E+07 4.17E+08 bx L531HN-L531N-V530CB 7.545 119.365 31.508 -1.12E+07 -2.49E+08 bx L531HN-L531N-V530CA 7.542 119.385 65.414 1.60E+07 3.51E+08 bx E532HN-E532N-L531CA 7.888 112.386 56.880 1.63E+07 3.69E+08 bx E532HN-E532N-L531CB 7.884 112.386 42.792 -1.25E+07 -2.77E+08 bx A533HN-A533N-E532CA 6.803 122.630 55.985 3.26E+07 7.28E+08 bx A533HN-A533N-E532CB 6.799 122.630 30.166 -1.57E+07 -3.59E+08 bx E535HN-E535N-R534CB 9.094 126.891 34.448 -8.23E+06 -1.78E+08 bx E535HN-E535N-R534CA 9.101 126.891 53.495 8.59E+06 2.05E+08 bx S538HN-S538N-G537CA 8.073 117.208 46.613 1.33E+07 2.95E+08 bx G539HN-G539N-S538CA 8.232 111.606 58.941 8.10E+06 1.89E+08 bx G539HN-G539N-S538CB 8.235 111.606 64.219 -8.88E+06 -2.05E+08 bx I562HN-I562N-I561CA 8.088 122.169 62.057 1.61E+07 3.68E+08 bx I562HN-I562N-I561CB 8.088 122.251 40.348 -1.24E+07 -2.55E+08 bx I561HN-I561N-K560CA 6.938 116.469 57.411 1.72E+07 4.02E+08 bx I561HN-I561N-K560CB 6.930 116.469 32.959 -1.38E+07 -3.05E+08 bx K560HN-K560N-Y559CA 7.381 118.095 60.060 1.58E+07 3.56E+08 bx Y559HN-Y559N-Y558CB 7.171 113.121 38.609 -5.18E+06 -1.23E+08 bx Y559HN-Y559N-Y558CA 7.161 113.121 61.999 1.08E+07 2.34E+08 bx Y558HN-Y558N-D557CA 7.802 122.280 56.396 1.70E+07 3.87E+08 bx Y558HN-Y558N-D557CB 7.806 122.280 39.955 -1.96E+07 -4.43E+08 bx D557HN-D557N-P556CB 8.809 116.671 31.414 -1.93E+07 -4.45E+08 bx D557HN-D557N-P556CA 8.809 116.671 65.691 3.25E+07 7.22E+08 bx Y555HN-Y555N-D554CB 8.299 124.458 42.080 -1.04E+07 -2.43E+08 bx Y555HN-Y555N-? 8.309 124.481 57.163 9.79E+06 2.19E+08 bx D554HN-D554N-K553CA 7.916 117.707 58.746 1.97E+07 4.58E+08 bx D554HN-D554N-? 7.919 117.707 30.186 -1.72E+07 -3.89E+08 bx S551HN-S551N-P550CA 9.027 118.162 62.624 1.94E+07 4.38E+08 bx K549HN-K549N-V548CB 7.938 118.210 34.558 -6.79E+06 -1.60E+08 bx K549HN-K549N-V548CA 7.938 118.210 60.833 1.52E+07 3.39E+08 bx V548HN-V548N-M547CB 7.746 115.994 31.779 -7.71E+06 -1.82E+08 bx D544HN-D544N-C543CB 7.325 123.583 27.071 -2.83E+07 -6.22E+08 bx D544HN-D544N-C543CA 7.335 123.583 59.723 3.81E+07 8.20E+08 bx L545HN-L545N-D544CB 8.710 116.742 40.597 -2.15E+07 -4.77E+08 bx L545HN-L545N-D544CA 8.710 116.742 58.896 1.87E+07 4.17E+08 bx F546HN-F546N-L545CA 8.122 117.220 56.323 1.55E+07 3.59E+08 bx F546HN-F546N-L545CB 8.119 117.211 39.862 -1.45E+07 -3.04E+08 bx M547HN-M547N-F546CA 8.217 121.198 57.881 1.72E+07 3.95E+08 bx M547HN-M547N-F546CB 8.210 121.232 39.355 -8.48E+06 -2.31E+08 bx G604HN-G604N-E603CB 6.949 111.862 28.944 -4.65E+06 -1.07E+08 bx G604HN-G604N-E603CA 6.959 111.862 57.765 7.26E+06 1.72E+08 bx E603HN-E603N-E602CB 8.720 125.442 30.763 -2.95E+07 -6.48E+08 bx E603HN-E603N-E602CA 8.713 125.442 56.176 3.94E+07 8.58E+08 bx E602HN-E602N-N601CB 8.554 117.234 41.341 -1.59E+07 -3.52E+08 bx N601HN-N601N-Y600CA 7.421 113.691 60.599 1.71E+07 3.83E+08 bx E602HN-E602N-N601CA 8.554 117.351 52.954 2.01E+07 4.36E+08 bx N601HN-N601N-Y600CB 7.424 113.800 40.275 -9.37E+06 -2.21E+08 bx N601HN-N601N-Y600CA 7.426 113.800 60.729 1.78E+07 3.87E+08 bx Y600HN-Y600N-? 8.191 115.638 31.560 -4.77E+06 -9.88E+07 bx R598HN-R598N-A597CB 7.298 115.418 18.803 -1.16E+07 -2.61E+08 bx R598HN-R598N-A597CA 7.297 115.418 55.264 1.57E+07 3.50E+08 bx Y600HN-Y600N-? 8.199 115.670 57.497 8.02E+06 1.80E+08 bx H599HN-H599N-R598CB 7.954 120.198 30.555 -7.65E+06 -1.89E+08 bx H599HN-H599N-R598CA 7.975 120.198 59.850 1.58E+07 3.85E+08 bx A597HN-A597N-N596CB 7.678 120.919 38.016 -5.54E+06 -1.30E+08 bx A597HN-A597N-N596CA 7.670 120.919 55.438 8.54E+06 2.05E+08 bx N596HN-N596N-R595CB 9.007 119.631 30.158 -9.31E+06 -2.07E+08 bx N596HN-N596N-R595CA 9.007 119.631 60.229 1.08E+07 2.42E+08 bx R595HN-R595N-F594CB 8.885 121.928 37.918 -8.69E+06 -1.89E+08 bx R595HN-R595N-F594CA 8.870 121.928 59.625 8.15E+06 2.05E+08 bx K591HN-K591N-M590CA 8.249 114.616 55.762 1.46E+07 3.20E+08 bx K591HN-K591N-M590CB 8.249 114.616 38.980 -2.54E+07 -5.59E+08 bx M590HN-M590N-D589CB 7.689 115.920 38.616 -2.78E+07 -6.09E+08 bx M590HN-M590N-D589CA 7.689 115.920 53.356 2.17E+07 4.84E+08 bx D589HN-D589N-E588CB 7.721 113.545 30.390 -1.05E+07 -2.38E+08 bx D589HN-D589N-E588CA 7.721 113.545 59.262 1.62E+07 3.51E+08 bx E588HN-E588N-I587CA 8.227 119.400 65.994 1.07E+07 2.54E+08 bx E588HN-E588N-I587CB 8.221 119.400 38.804 -8.68E+06 -1.84E+08 bx I587HN-I587N-M586CA 8.543 121.513 55.236 5.36E+06 1.40E+08 bx I587HN-I587N-M586CB 8.540 121.496 38.253 -1.01E+07 -2.30E+08 bx E583HN-E583N-G582CA 9.392 118.116 44.787 1.16E+07 2.56E+08 bx G582HN-G582N-A581CB 7.506 124.022 18.534 4.24E+07 9.06E+08 bx G582HN-G582N-A581CA 7.511 124.022 53.213 -3.70E+07 -7.94E+08 bx N577HN-N577N-R576CA 8.685 120.559 60.397 1.87E+07 4.01E+08 bx N577HN-N577N-R576CB 8.677 120.559 29.691 -1.22E+07 -2.71E+08 bx R576HN-R576N-I575CB 8.851 120.640 39.003 -7.17E+06 -1.69E+08 bx R576HN-R576N-I575CA 8.852 120.675 66.456 1.18E+07 2.76E+08 bx I575HN-I575N-N574CA 7.738 119.817 59.084 6.57E+06 1.88E+08 bx I575HN-I575N-N574CB 7.702 119.817 38.808 -8.48E+06 -1.77E+08 bx S605HN-S605N-G604CA 7.836 115.400 45.252 1.85E+07 4.03E+08 bx Q606HN-Q606N-S605CB 8.906 123.362 65.358 -4.20E+06 -9.85E+07 bx Q606HN-Q606N-S605CA 8.891 123.362 58.421 3.04E+06 6.82E+07 bx V607HN-V607N-Q606CA 8.352 116.551 59.896 1.63E+07 3.53E+08 bx V607HN-V607N-Q606CB 8.365 116.551 30.605 -1.07E+07 -2.42E+08 bx H612HN-H612N-A611CA 8.469 119.800 52.798 5.38E+07 1.13E+09 bx H612HN-H612N-A611CB 8.467 119.800 19.384 -4.07E+07 -8.38E+08 bx D610HN-D610N-N609CB 9.389 123.108 38.348 -1.79E+07 -3.96E+08 bx D610HN-D610N-N609CA 9.389 123.108 56.272 1.44E+07 3.26E+08 bx N609HN-N609N-Y608CA 8.258 117.736 61.925 2.40E+07 5.36E+08 bx N609HN-N609N-Y608CB 8.270 117.736 40.324 -1.16E+07 -2.45E+08 bx A638HN-A638N-P637CA 8.302 123.811 63.457 4.16E+08 8.94E+09 bx A638HN-A638N-P637CB 8.308 123.811 32.044 -3.39E+08 -7.06E+09 bx K623HN-K623N-R622CA 7.549 119.633 60.264 1.73E+07 3.71E+08 bx K623HN-K623N-R622CB 7.552 119.633 29.663 -1.03E+07 -2.30E+08 bx K621HN-K621N-E620CB 8.265 118.128 29.135 -5.28E+06 -1.22E+08 bx K621HN-K621N-E620CA 8.262 118.128 59.304 1.32E+07 3.02E+08 bx E620HN-E620N-K619CB 8.526 119.720 32.306 -1.57E+07 -3.43E+08 bx E620HN-E620N-K619CA 8.523 119.720 60.153 1.77E+07 3.90E+08 bx K619HN-K619N-L618CB 7.911 118.676 42.415 -7.65E+06 -1.89E+08 bx L618HN-L618N-K616CA 8.073 120.533 58.088 1.72E+07 3.55E+08 bx L618HN-L618N-L617CB 8.072 120.533 42.026 -1.93E+07 -4.23E+08 bx E615HN-E615N-L614CB 7.767 118.726 42.038 -3.75E+06 -8.25E+07 bx E615HN-E615N-? 7.767 118.726 58.256 5.58E+06 1.22E+08 bx L614HN-L614N-I613CB 7.750 125.330 39.653 -3.92E+07 -8.06E+08 bx L614HN-L614N-I613CA 7.752 125.330 57.569 5.41E+07 1.20E+09 bx A635HN-A635N-M634CA 8.177 124.576 55.435 3.47E+08 7.21E+09 bx A635HN-A635N-M634CB 8.173 124.576 32.845 -1.39E+08 -2.92E+09 bx M634HN-M634N-D633CB 8.214 119.984 41.258 -5.17E+08 -1.09E+10 bx M634HN-M634N-D633CA 8.214 119.984 54.727 4.16E+08 8.76E+09 bx D631HN-D631N-D630CB 8.302 120.494 41.323 -4.16E+08 -9.22E+09 bx D631HN-D631N-D630CA 8.307 120.494 54.697 3.60E+08 7.81E+09 bx D630HN-D630N-P629CA 8.443 120.964 62.935 1.87E+08 3.94E+09 bx D630HN-D630N-P629CB 8.441 120.964 32.137 -1.20E+08 -2.54E+09 bx L628HN-L628N-P627CB 8.550 124.249 32.147 -4.22E+07 -9.06E+08 bx L628HN-L628N-P627CA 8.542 124.249 62.792 5.56E+07 1.22E+09 bx G626HN-G626N-L625CB 7.385 126.623 41.751 2.41E+07 5.30E+08 bx G626HN-G626N-L625CA 7.385 126.623 56.772 -3.32E+07 -7.37E+08 bx E624HN-E624N-? 9.118 127.555 31.901 -1.20E+07 -2.63E+08 bx C543HN-C543N-L542CB 9.792 113.873 42.376 -6.38E+06 -1.30E+08 bx C543HN-C543N-L542CA 9.784 113.873 57.890 7.50E+06 1.78E+08 bx R622HN-R622N-K621CA 8.064 119.376 60.166 1.05E+07 2.41E+08 bx L625HN-L625N-? 7.739 128.745 39.661 1.67E+07 3.21E+08 bx L625HN-L625N-? 7.746 128.745 57.773 -2.66E+06 -1.13E+08 bx S551HN-S551N-P550CB 9.035 118.258 32.254 -1.33E+07 -2.87E+08 bx S551HN-S551N-P550CA 9.027 118.258 62.613 2.31E+07 5.03E+08 bx V548HN-V548N-M547CA 7.744 115.983 59.401 6.28E+06 1.49E+08 bx ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . 1H 1 H . aliased 16 ppm . . . . . . 51329 3 2 . . 15N 15 N . folded 30 ppm . . . . . . 51329 3 3 . . 13C 13 CA,CB . aliased 60 ppm . . . . . . 51329 3 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 1 $software_1 . . 51329 3 2 $software_2 . . 51329 3 3 $software_3 . . 51329 3 stop_ save_ save_spectral_peak_list_4 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_4 _Spectral_peak_list.Entry_ID 51329 _Spectral_peak_list.ID 4 _Spectral_peak_list.Name HNCO _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 4 _Spectral_peak_list.Experiment_name '3D HNCO' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; Assignment w1 w2 w3 Height Volume M499HN-M499N-S498C 8.497 122.258 178.476 5.45E+07 1.18E+09 bx K513HN-K513N-R512C 8.340 122.258 176.155 4.83E+07 1.07E+09 bx I500HN-I500N-M499C 8.092 121.731 176.837 5.19E+08 1.09E+10 bx S501HN-S501N-I500C 8.377 119.885 176.798 8.62E+07 1.93E+09 bx A503HN-A503N-S502C 8.348 125.823 178.672 5.07E+07 1.15E+09 bx T504HN-T504N-A503C 8.097 112.494 175.030 1.05E+08 2.26E+09 bx T507HN-T507N-D506C 8.204 114.416 176.332 4.28E+07 9.36E+08 bx S505HN-S505N-T504C 8.235 117.699 178.357 2.07E+07 4.51E+08 bx D506HN-D506N-S505C 8.417 122.691 178.857 4.09E+07 9.10E+08 bx G508HN-G508N-T507C 8.524 111.098 177.362 3.76E+07 8.32E+08 bx A510HN-A510N-S509C 8.322 125.656 178.058 1.44E+07 3.44E+08 bx K511HN-K511N-A510C 8.152 119.695 174.594 1.07E+08 2.36E+09 bx R512HN-R512N-K511C 8.151 121.363 175.867 9.47E+07 2.09E+09 bx H573HN-H573N-E572C 7.255 121.732 173.490 5.81E+07 1.31E+09 bx V530HN-V530N-V529C 6.760 118.215 175.312 6.18E+07 1.37E+09 bx D567HN-D567N-M566C 7.571 123.257 180.278 5.28E+07 1.18E+09 bx M566HN-M566N-P565C 8.626 118.678 177.904 5.17E+07 1.14E+09 bx I562HN-I562N-I561C 8.096 122.169 178.014 6.28E+07 1.44E+09 bx I561HN-I561N-K560C 6.935 116.469 176.298 6.13E+07 1.36E+09 bx K560HN-K560N-Y559C 7.380 118.095 177.124 6.73E+07 1.52E+09 bx Y558HN-Y558N-D557C 7.805 122.280 174.594 5.74E+07 1.27E+09 bx Y559HN-Y559N-Y558C 7.157 113.080 176.960 3.93E+07 8.78E+08 bx D557HN-D557N-P556C 8.808 116.671 173.131 1.26E+08 2.78E+09 bx Y555HN-Y555N-D554C 8.305 124.458 174.424 4.86E+07 1.09E+09 bx D554HN-D554N-K553C 7.919 117.707 174.603 6.48E+07 1.46E+09 bx S551HN-S551N-P550C 9.029 118.249 176.312 6.91E+07 1.51E+09 bx R595HN-R595N-F594C 8.889 121.928 175.709 4.54E+07 1.01E+09 bx L641HN-L641N-N640C 8.000 121.928 178.157 5.82E+08 1.22E+10 bx G604HN-G604N-E603C 6.949 111.858 176.176 3.65E+07 8.22E+08 bx E602HN-E602N-N601C 8.555 117.280 179.850 8.49E+07 1.86E+09 bx E603HN-E603N-E602C 8.713 125.433 175.727 1.10E+08 2.40E+09 bx N601HN-N601N-Y600C 7.426 113.725 178.101 6.15E+07 1.37E+09 bx Y600HN-Y600N-H599C 8.213 115.671 176.019 2.65E+07 5.82E+08 bx H599HN-H599N-R598C 7.976 120.278 175.144 4.67E+07 1.03E+09 bx R598HN-R598N-A597C 7.291 115.522 173.936 4.68E+07 1.06E+09 bx A597HN-A597N-N596C 7.664 120.896 175.644 3.00E+07 7.12E+08 bx N596HN-N596N-R595C 9.006 119.632 173.228 4.57E+07 1.01E+09 bx M590HN-M590N-D589C 7.693 115.942 179.988 1.09E+08 2.41E+09 bx D589HN-D589N-E588C 7.717 113.519 175.656 6.59E+07 1.45E+09 bx E588HN-E588N-I587C 8.208 119.402 174.619 3.35E+07 8.83E+08 bx I587HN-I587N-M586C 8.544 121.489 175.081 3.31E+07 7.75E+08 bx E583HN-E583N-G582C 9.392 118.116 180.006 3.21E+07 7.25E+08 bx G582HN-G582N-A581C 7.507 124.022 175.347 -1.12E+08 -2.44E+09 bx G585HN-G585N-E584C 7.913 128.984 174.120 -3.66E+07 -8.51E+08 bx N577HN-N577N-R576C 8.680 120.559 175.081 5.94E+07 1.32E+09 bx R576HN-R576N-I575C 8.852 120.666 175.156 4.35E+07 9.79E+08 bx S605HN-S605N-G604C 7.837 115.437 178.880 7.11E+07 1.57E+09 bx Q606HN-Q606N-S605C 8.890 123.444 178.484 1.75E+07 3.95E+08 bx V607HN-V607N-Q606C 8.359 116.551 175.176 6.19E+07 1.36E+09 bx H612HN-H612N-A611C 8.469 119.800 175.365 5.88E+07 1.25E+09 bx N609HN-N609N-Y608C 8.265 117.736 175.794 4.45E+07 1.02E+09 bx D610HN-D610N-N609C 9.392 123.063 174.488 6.94E+07 1.52E+09 bx Y608HN-Y608N-V607C 7.048 121.208 176.443 2.26E+07 5.14E+08 bx Q644HN-Q644N-F643C 7.745 126.070 178.593 1.99E+09 4.22E+10 bx F643HN-F643N-Y642C 7.976 121.140 177.834 6.59E+08 1.39E+10 bx Y642HN-Y642N-L641C 7.942 119.358 176.308 7.40E+08 1.60E+10 bx N640HN-N640N-E639C 8.302 118.877 176.867 2.07E+08 4.58E+09 bx E639HN-E639N-A638C 8.283 119.346 175.138 5.21E+08 1.09E+10 bx A638HN-A638N-P637C 8.304 123.811 176.237 5.20E+08 1.09E+10 bx K623HN-K623N-R622C 7.552 119.633 174.649 6.63E+07 1.45E+09 bx R622HN-R622N-K621C 8.059 119.400 174.545 4.88E+07 1.09E+09 bx K621HN-K621N-E620C 8.259 118.137 173.879 5.01E+07 1.12E+09 bx E620HN-E620N-K619C 8.523 119.720 172.924 7.64E+07 1.70E+09 bx K619HN-K619N-L618C 7.914 118.657 175.129 4.28E+07 9.97E+08 bx L618HN-L618N-L617C 8.073 120.533 173.040 5.17E+07 1.17E+09 bx E615HN-E615N-L614C 7.767 118.726 176.077 2.43E+07 5.70E+08 bx L614HN-L614N-I613C 7.732 125.413 178.923 6.15E+07 1.38E+09 bx S636HN-S636N-A635C 8.260 116.495 175.525 2.79E+08 6.21E+09 bx A635HN-A635N-M634C 8.175 124.576 177.054 4.39E+08 9.17E+09 bx M634HN-M634N-D633C 8.214 119.984 176.577 5.95E+08 1.25E+10 bx D631HN-D631N-D630C 8.304 120.494 176.901 6.19E+08 1.35E+10 bx D630HN-D630N-P629C 8.442 120.964 176.754 2.80E+08 6.04E+09 bx L628HN-L628N-P627C 8.545 124.249 176.075 1.71E+08 3.71E+09 bx G626HN-G626N-L625C 7.386 126.623 174.218 -1.13E+08 -2.50E+09 bx K520HN-K520N-R519C 7.644 119.439 173.921 7.48E+07 1.64E+09 bx R519HN-R519N-I518C 7.104 118.308 175.353 4.73E+07 1.04E+09 bx Q521HN-Q521N-K520C 7.736 119.974 174.063 7.86E+07 1.76E+09 bx R522HN-R522N-Q521C 9.637 121.425 176.678 6.60E+07 1.49E+09 bx I525HN-I525N-K524C 9.464 124.574 172.440 2.71E+07 6.19E+08 bx F527HN-F527N-L526C 8.528 118.981 176.064 3.98E+07 9.10E+08 bx V529HN-V529N-N528C 7.726 119.243 175.722 9.39E+07 2.09E+09 bx N528HN-N528N-F527C 8.454 115.874 175.682 6.05E+07 1.32E+09 bx L531HN-L531N-V530C 7.547 119.387 176.561 5.17E+07 1.18E+09 bx E532HN-E532N-L531C 7.885 112.441 174.099 7.03E+07 1.56E+09 bx A533HN-A533N-E532C 6.795 122.548 175.608 1.30E+08 2.82E+09 bx C543HN-C543N-L542C 9.788 113.873 174.200 3.67E+07 8.24E+08 bx R534HN-R534N-A533C 8.662 122.634 174.817 7.43E+07 1.66E+09 bx E535HN-E535N-R534C 9.114 126.900 177.234 3.93E+07 8.80E+08 bx S538HN-S538N-G537C 8.069 117.183 177.687 5.12E+07 1.16E+09 bx G539HN-G539N-S538C 8.228 111.610 176.272 3.15E+07 7.58E+08 bx D544HN-D544N-C543C 7.333 123.555 175.815 1.19E+08 2.66E+09 bx L545HN-L545N-D544C 8.717 116.709 174.069 8.07E+07 1.80E+09 bx F546HN-F546N-L545C 8.121 117.200 176.311 5.33E+07 1.22E+09 bx M547HN-M547N-F546C 8.214 121.246 174.383 2.17E+07 5.49E+08 bx V548HN-V548N-M547C 7.744 115.958 174.691 5.05E+07 1.13E+09 bx K549HN-K549N-V548C 7.944 118.186 175.723 4.64E+07 1.04E+09 bx I575HN-I575N-N574C 7.698 119.838 174.603 2.85E+07 6.41E+08 bx K591HN-K591N-M590C 8.254 114.595 177.399 7.00E+07 1.57E+09 bx ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . 1H 1 H . aliased 16 ppm . . . . . . 51329 4 2 . . 15N 15 N . folded 30 ppm . . . . . . 51329 4 3 . . 13C 13 CO . aliased 20 ppm . . . . . . 51329 4 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 1 $software_1 . . 51329 4 2 $software_2 . . 51329 4 3 $software_3 . . 51329 4 stop_ save_