data_27988 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27988 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for C-terminal tail of human CRY1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-07-24 _Entry.Accession_date 2019-07-24 _Entry.Last_release_date 2019-07-24 _Entry.Original_release_date 2019-07-24 _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 Hsiau-Wei Lee . . . . 27988 2 'Gian Carlo' Parico . G. . . 27988 3 Carrie Partch . L. . . 27988 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27988 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 260 27988 '15N chemical shifts' 96 27988 '1H chemical shifts' 87 27988 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2021-08-23 2019-07-24 update BMRB 'update entry citation' 27988 1 . . 2020-10-15 2019-07-24 original author 'original release' 27988 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27988 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33106415 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; The CRY1 tail controls circadian timing by regulating its association with CLOCK:BMAL1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U. S. A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 117 _Citation.Journal_issue 45 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1091-6490 _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 27971 _Citation.Page_last 27979 _Citation.Year 2020 _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 'Gian Carlo' Parico . . . . 27988 1 2 Ivette Perez I. . . . 27988 1 3 Jennifer Fribourgh J. L. . . 27988 1 4 Britney Hernandez B. N. . . 27988 1 5 Hsiau-Wei Lee H. W. . . 27988 1 6 Carrie Partch C. L. . . 27988 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27988 _Assembly.ID 1 _Assembly.Name CRY1 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 CRY1 1 $CRY1 A . yes 'intrinsically disordered' no no . . . 27988 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CRY1 _Entity.Sf_category entity _Entity.Sf_framecode CRY1 _Entity.Entry_ID 27988 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CRY1 _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 ; gamdpefGLGLLASVPSNPN GNGGFMGYSAENIPGCSSSG SCSQGSGILHYAHGDSQQTH LLKQGRSSMGTGLSGGKRPS QEEDTQSIGPKVQRQSTN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 489-586 _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 98 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'C-terminal tail' _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 1 489 GLY . 27988 1 2 490 ALA . 27988 1 3 491 MET . 27988 1 4 492 ASP . 27988 1 5 493 PRO . 27988 1 6 494 GLU . 27988 1 7 495 PHE . 27988 1 8 496 GLY . 27988 1 9 497 LEU . 27988 1 10 498 GLY . 27988 1 11 499 LEU . 27988 1 12 500 LEU . 27988 1 13 501 ALA . 27988 1 14 502 SER . 27988 1 15 503 VAL . 27988 1 16 504 PRO . 27988 1 17 505 SER . 27988 1 18 506 ASN . 27988 1 19 507 PRO . 27988 1 20 508 ASN . 27988 1 21 509 GLY . 27988 1 22 510 ASN . 27988 1 23 511 GLY . 27988 1 24 512 GLY . 27988 1 25 513 PHE . 27988 1 26 514 MET . 27988 1 27 515 GLY . 27988 1 28 516 TYR . 27988 1 29 517 SER . 27988 1 30 518 ALA . 27988 1 31 519 GLU . 27988 1 32 520 ASN . 27988 1 33 521 ILE . 27988 1 34 522 PRO . 27988 1 35 523 GLY . 27988 1 36 524 CYS . 27988 1 37 525 SER . 27988 1 38 526 SER . 27988 1 39 527 SER . 27988 1 40 528 GLY . 27988 1 41 529 SER . 27988 1 42 530 CYS . 27988 1 43 531 SER . 27988 1 44 532 GLN . 27988 1 45 533 GLY . 27988 1 46 534 SER . 27988 1 47 535 GLY . 27988 1 48 536 ILE . 27988 1 49 537 LEU . 27988 1 50 538 HIS . 27988 1 51 539 TYR . 27988 1 52 540 ALA . 27988 1 53 541 HIS . 27988 1 54 542 GLY . 27988 1 55 543 ASP . 27988 1 56 544 SER . 27988 1 57 545 GLN . 27988 1 58 546 GLN . 27988 1 59 547 THR . 27988 1 60 548 HIS . 27988 1 61 549 LEU . 27988 1 62 550 LEU . 27988 1 63 551 LYS . 27988 1 64 552 GLN . 27988 1 65 553 GLY . 27988 1 66 554 ARG . 27988 1 67 555 SER . 27988 1 68 556 SER . 27988 1 69 557 MET . 27988 1 70 558 GLY . 27988 1 71 559 THR . 27988 1 72 560 GLY . 27988 1 73 561 LEU . 27988 1 74 562 SER . 27988 1 75 563 GLY . 27988 1 76 564 GLY . 27988 1 77 565 LYS . 27988 1 78 566 ARG . 27988 1 79 567 PRO . 27988 1 80 568 SER . 27988 1 81 569 GLN . 27988 1 82 570 GLU . 27988 1 83 571 GLU . 27988 1 84 572 ASP . 27988 1 85 573 THR . 27988 1 86 574 GLN . 27988 1 87 575 SER . 27988 1 88 576 ILE . 27988 1 89 577 GLY . 27988 1 90 578 PRO . 27988 1 91 579 LYS . 27988 1 92 580 VAL . 27988 1 93 581 GLN . 27988 1 94 582 ARG . 27988 1 95 583 GLN . 27988 1 96 584 SER . 27988 1 97 585 THR . 27988 1 98 586 ASN . 27988 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 27988 1 . ALA 2 2 27988 1 . MET 3 3 27988 1 . ASP 4 4 27988 1 . PRO 5 5 27988 1 . GLU 6 6 27988 1 . PHE 7 7 27988 1 . GLY 8 8 27988 1 . LEU 9 9 27988 1 . GLY 10 10 27988 1 . LEU 11 11 27988 1 . LEU 12 12 27988 1 . ALA 13 13 27988 1 . SER 14 14 27988 1 . VAL 15 15 27988 1 . PRO 16 16 27988 1 . SER 17 17 27988 1 . ASN 18 18 27988 1 . PRO 19 19 27988 1 . ASN 20 20 27988 1 . GLY 21 21 27988 1 . ASN 22 22 27988 1 . GLY 23 23 27988 1 . GLY 24 24 27988 1 . PHE 25 25 27988 1 . MET 26 26 27988 1 . GLY 27 27 27988 1 . TYR 28 28 27988 1 . SER 29 29 27988 1 . ALA 30 30 27988 1 . GLU 31 31 27988 1 . ASN 32 32 27988 1 . ILE 33 33 27988 1 . PRO 34 34 27988 1 . GLY 35 35 27988 1 . CYS 36 36 27988 1 . SER 37 37 27988 1 . SER 38 38 27988 1 . SER 39 39 27988 1 . GLY 40 40 27988 1 . SER 41 41 27988 1 . CYS 42 42 27988 1 . SER 43 43 27988 1 . GLN 44 44 27988 1 . GLY 45 45 27988 1 . SER 46 46 27988 1 . GLY 47 47 27988 1 . ILE 48 48 27988 1 . LEU 49 49 27988 1 . HIS 50 50 27988 1 . TYR 51 51 27988 1 . ALA 52 52 27988 1 . HIS 53 53 27988 1 . GLY 54 54 27988 1 . ASP 55 55 27988 1 . SER 56 56 27988 1 . GLN 57 57 27988 1 . GLN 58 58 27988 1 . THR 59 59 27988 1 . HIS 60 60 27988 1 . LEU 61 61 27988 1 . LEU 62 62 27988 1 . LYS 63 63 27988 1 . GLN 64 64 27988 1 . GLY 65 65 27988 1 . ARG 66 66 27988 1 . SER 67 67 27988 1 . SER 68 68 27988 1 . MET 69 69 27988 1 . GLY 70 70 27988 1 . THR 71 71 27988 1 . GLY 72 72 27988 1 . LEU 73 73 27988 1 . SER 74 74 27988 1 . GLY 75 75 27988 1 . GLY 76 76 27988 1 . LYS 77 77 27988 1 . ARG 78 78 27988 1 . PRO 79 79 27988 1 . SER 80 80 27988 1 . GLN 81 81 27988 1 . GLU 82 82 27988 1 . GLU 83 83 27988 1 . ASP 84 84 27988 1 . THR 85 85 27988 1 . GLN 86 86 27988 1 . SER 87 87 27988 1 . ILE 88 88 27988 1 . GLY 89 89 27988 1 . PRO 90 90 27988 1 . LYS 91 91 27988 1 . VAL 92 92 27988 1 . GLN 93 93 27988 1 . ARG 94 94 27988 1 . GLN 95 95 27988 1 . SER 96 96 27988 1 . THR 97 97 27988 1 . ASN 98 98 27988 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27988 _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 $CRY1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27988 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27988 _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 $CRY1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET22b . . . 27988 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27988 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CRY1 '[U-100% 13C; U-100% 15N]' . . 1 $CRY1 . . 120 . . uM . . . . 27988 1 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 27988 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27988 1 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 27988 1 5 TCEP 'natural abundance' . . . . . . 4 . . mM . . . . 27988 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 27988 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 100 . mM 27988 1 pH 6.8 . pH 27988 1 pressure 1 . atm 27988 1 temperature 298 . K 27988 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27988 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27988 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 27988 1 stop_ save_ save_CccpNMR _Software.Sf_category software _Software.Sf_framecode CccpNMR _Software.Entry_ID 27988 _Software.ID 2 _Software.Type . _Software.Name CccpNMR _Software.Version 2.4.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27988 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 27988 2 'data analysis' . 27988 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27988 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27988 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 27988 3 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 27988 _Software.ID 4 _Software.Type . _Software.Name NMRDraw _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27988 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 27988 4 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27988 _Software.ID 5 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27988 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 27988 5 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 27988 _Software.ID 6 _Software.Type . _Software.Name VNMRJ _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 27988 6 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 27988 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27988 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27988 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27988 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 27988 1 2 spectrometer_2 Varian INOVA . 600 . . . 27988 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27988 _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 . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . $spectrometer_1 . . . . . . . . . . . . . . . . . 27988 1 2 '2D CON' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . $spectrometer_1 . . . . . . . . . . . . . . . . . 27988 1 3 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . $spectrometer_2 . . . . . . . . . . . . . . . . . 27988 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . $spectrometer_2 . . . . . . . . . . . . . . . . . 27988 1 5 '3D (HACA)N(CA)CON' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . $spectrometer_1 . . . . . . . . . . . . . . . . . 27988 1 6 '3D (HACA)N(CA)NCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . $spectrometer_1 . . . . . . . . . . . . . . . . . 27988 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . $spectrometer_2 . . . . . . . . . . . . . . . . . 27988 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27988 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 DSS 'methyl carbon' . . . . ppm 0 internal indirect . . . . . . 27988 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . 27988 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect . . . . . . 27988 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts _Assigned_chem_shift_list.Entry_ID 27988 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27988 1 2 '2D CON' . . . 27988 1 3 '3D HNCACB' . . . 27988 1 4 '3D HNCO' . . . 27988 1 5 '3D (HACA)N(CA)CON' . . . 27988 1 6 '3D (HACA)N(CA)NCO' . . . 27988 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 1 1 GLY C C 13 170.376 . . . . . . . . 489 GLY C . 27988 1 2 . 1 . 1 1 1 GLY CA C 13 43.308 . . . . . . . . 489 GLY CA . 27988 1 3 . 1 . 1 2 2 ALA H H 1 8.618 . . . . . . . . 490 ALA H . 27988 1 4 . 1 . 1 2 2 ALA C C 13 177.773 . . . . . . . . 490 ALA C . 27988 1 5 . 1 . 1 2 2 ALA CA C 13 53.177 . . . . . . . . 490 ALA CA . 27988 1 6 . 1 . 1 2 2 ALA CB C 13 19.376 . . . . . . . . 490 ALA CB . 27988 1 7 . 1 . 1 2 2 ALA N N 15 123.428 . . . . . . . . 490 ALA N . 27988 1 8 . 1 . 1 3 3 MET H H 1 8.458 . . . . . . . . 491 MET H . 27988 1 9 . 1 . 1 3 3 MET C C 13 175.665 . . . . . . . . 491 MET C . 27988 1 10 . 1 . 1 3 3 MET CA C 13 55.054 . . . . . . . . 491 MET CA . 27988 1 11 . 1 . 1 3 3 MET CB C 13 32.656 . . . . . . . . 491 MET CB . 27988 1 12 . 1 . 1 3 3 MET N N 15 118.039 . . . . . . . . 491 MET N . 27988 1 13 . 1 . 1 4 4 ASP H H 1 8.147 . . . . . . . . 492 ASP H . 27988 1 14 . 1 . 1 4 4 ASP C C 13 174.674 . . . . . . . . 492 ASP C . 27988 1 15 . 1 . 1 4 4 ASP CA C 13 52.740 . . . . . . . . 492 ASP CA . 27988 1 16 . 1 . 1 4 4 ASP CB C 13 40.927 . . . . . . . . 492 ASP CB . 27988 1 17 . 1 . 1 4 4 ASP N N 15 123.006 . . . . . . . . 492 ASP N . 27988 1 18 . 1 . 1 5 5 PRO C C 13 177.115 . . . . . . . . 493 PRO C . 27988 1 19 . 1 . 1 5 5 PRO CA C 13 63.635 . . . . . . . . 493 PRO CA . 27988 1 20 . 1 . 1 5 5 PRO CB C 13 32.127 . . . . . . . . 493 PRO CB . 27988 1 21 . 1 . 1 5 5 PRO N N 15 136.835 . . . . . . . . 493 PRO N . 27988 1 22 . 1 . 1 6 6 GLU H H 1 8.511 . . . . . . . . 494 GLU H . 27988 1 23 . 1 . 1 6 6 GLU C C 13 176.546 . . . . . . . . 494 GLU C . 27988 1 24 . 1 . 1 6 6 GLU CA C 13 56.898 . . . . . . . . 494 GLU CA . 27988 1 25 . 1 . 1 6 6 GLU CB C 13 29.973 . . . . . . . . 494 GLU CB . 27988 1 26 . 1 . 1 6 6 GLU N N 15 119.762 . . . . . . . . 494 GLU N . 27988 1 27 . 1 . 1 7 7 PHE H H 1 8.092 . . . . . . . . 495 PHE H . 27988 1 28 . 1 . 1 7 7 PHE C C 13 176.499 . . . . . . . . 495 PHE C . 27988 1 29 . 1 . 1 7 7 PHE CA C 13 58.292 . . . . . . . . 495 PHE CA . 27988 1 30 . 1 . 1 7 7 PHE CB C 13 39.602 . . . . . . . . 495 PHE CB . 27988 1 31 . 1 . 1 7 7 PHE N N 15 120.321 . . . . . . . . 495 PHE N . 27988 1 32 . 1 . 1 8 8 GLY H H 1 8.254 . . . . . . . . 496 GLY H . 27988 1 33 . 1 . 1 8 8 GLY C C 13 174.272 . . . . . . . . 496 GLY C . 27988 1 34 . 1 . 1 8 8 GLY CA C 13 45.630 . . . . . . . . 496 GLY CA . 27988 1 35 . 1 . 1 8 8 GLY N N 15 110.067 . . . . . . . . 496 GLY N . 27988 1 36 . 1 . 1 9 9 LEU H H 1 8.045 . . . . . . . . 497 LEU H . 27988 1 37 . 1 . 1 9 9 LEU C C 13 178.107 . . . . . . . . 497 LEU C . 27988 1 38 . 1 . 1 9 9 LEU CA C 13 55.555 . . . . . . . . 497 LEU CA . 27988 1 39 . 1 . 1 9 9 LEU CB C 13 42.361 . . . . . . . . 497 LEU CB . 27988 1 40 . 1 . 1 9 9 LEU N N 15 121.310 . . . . . . . . 497 LEU N . 27988 1 41 . 1 . 1 10 10 GLY H H 1 8.403 . . . . . . . . 498 GLY H . 27988 1 42 . 1 . 1 10 10 GLY C C 13 174.368 . . . . . . . . 498 GLY C . 27988 1 43 . 1 . 1 10 10 GLY CA C 13 45.623 . . . . . . . . 498 GLY CA . 27988 1 44 . 1 . 1 10 10 GLY N N 15 109.067 . . . . . . . . 498 GLY N . 27988 1 45 . 1 . 1 11 11 LEU H H 1 7.997 . . . . . . . . 499 LEU H . 27988 1 46 . 1 . 1 11 11 LEU C C 13 177.544 . . . . . . . . 499 LEU C . 27988 1 47 . 1 . 1 11 11 LEU CA C 13 55.457 . . . . . . . . 499 LEU CA . 27988 1 48 . 1 . 1 11 11 LEU CB C 13 42.329 . . . . . . . . 499 LEU CB . 27988 1 49 . 1 . 1 11 11 LEU N N 15 121.402 . . . . . . . . 499 LEU N . 27988 1 50 . 1 . 1 12 12 LEU H H 1 8.130 . . . . . . . . 500 LEU H . 27988 1 51 . 1 . 1 12 12 LEU C C 13 177.020 . . . . . . . . 500 LEU C . 27988 1 52 . 1 . 1 12 12 LEU CA C 13 55.135 . . . . . . . . 500 LEU CA . 27988 1 53 . 1 . 1 12 12 LEU CB C 13 42.258 . . . . . . . . 500 LEU CB . 27988 1 54 . 1 . 1 12 12 LEU N N 15 121.986 . . . . . . . . 500 LEU N . 27988 1 55 . 1 . 1 13 13 ALA H H 1 8.091 . . . . . . . . 501 ALA H . 27988 1 56 . 1 . 1 13 13 ALA C C 13 177.496 . . . . . . . . 501 ALA C . 27988 1 57 . 1 . 1 13 13 ALA CA C 13 52.511 . . . . . . . . 501 ALA CA . 27988 1 58 . 1 . 1 13 13 ALA CB C 13 19.455 . . . . . . . . 501 ALA CB . 27988 1 59 . 1 . 1 13 13 ALA N N 15 124.079 . . . . . . . . 501 ALA N . 27988 1 60 . 1 . 1 14 14 SER H H 1 8.141 . . . . . . . . 502 SER H . 27988 1 61 . 1 . 1 14 14 SER C C 13 174.037 . . . . . . . . 502 SER C . 27988 1 62 . 1 . 1 14 14 SER CA C 13 58.131 . . . . . . . . 502 SER CA . 27988 1 63 . 1 . 1 14 14 SER CB C 13 63.837 . . . . . . . . 502 SER CB . 27988 1 64 . 1 . 1 14 14 SER N N 15 114.717 . . . . . . . . 502 SER N . 27988 1 65 . 1 . 1 15 15 VAL H H 1 8.069 . . . . . . . . 503 VAL H . 27988 1 66 . 1 . 1 15 15 VAL C C 13 174.464 . . . . . . . . 503 VAL C . 27988 1 67 . 1 . 1 15 15 VAL CA C 13 59.846 . . . . . . . . 503 VAL CA . 27988 1 68 . 1 . 1 15 15 VAL CB C 13 32.761 . . . . . . . . 503 VAL CB . 27988 1 69 . 1 . 1 15 15 VAL N N 15 122.801 . . . . . . . . 503 VAL N . 27988 1 70 . 1 . 1 16 16 PRO C C 13 176.768 . . . . . . . . 504 PRO C . 27988 1 71 . 1 . 1 16 16 PRO CA C 13 63.107 . . . . . . . . 504 PRO CA . 27988 1 72 . 1 . 1 16 16 PRO CB C 13 32.210 . . . . . . . . 504 PRO CB . 27988 1 73 . 1 . 1 16 16 PRO N N 15 139.467 . . . . . . . . 504 PRO N . 27988 1 74 . 1 . 1 17 17 SER H H 1 8.334 . . . . . . . . 505 SER H . 27988 1 75 . 1 . 1 17 17 SER C C 13 173.929 . . . . . . . . 505 SER C . 27988 1 76 . 1 . 1 17 17 SER CA C 13 58.377 . . . . . . . . 505 SER CA . 27988 1 77 . 1 . 1 17 17 SER CB C 13 63.844 . . . . . . . . 505 SER CB . 27988 1 78 . 1 . 1 17 17 SER N N 15 115.887 . . . . . . . . 505 SER N . 27988 1 79 . 1 . 1 18 18 ASN H H 1 8.433 . . . . . . . . 506 ASN H . 27988 1 80 . 1 . 1 18 18 ASN C C 13 173.783 . . . . . . . . 506 ASN C . 27988 1 81 . 1 . 1 18 18 ASN CA C 13 51.278 . . . . . . . . 506 ASN CA . 27988 1 82 . 1 . 1 18 18 ASN CB C 13 39.098 . . . . . . . . 506 ASN CB . 27988 1 83 . 1 . 1 18 18 ASN N N 15 120.983 . . . . . . . . 506 ASN N . 27988 1 84 . 1 . 1 19 19 PRO C C 13 176.912 . . . . . . . . 507 PRO C . 27988 1 85 . 1 . 1 19 19 PRO CA C 13 63.880 . . . . . . . . 507 PRO CA . 27988 1 86 . 1 . 1 19 19 PRO CB C 13 32.092 . . . . . . . . 507 PRO CB . 27988 1 87 . 1 . 1 19 19 PRO N N 15 137.337 . . . . . . . . 507 PRO N . 27988 1 88 . 1 . 1 20 20 ASN H H 1 8.387 . . . . . . . . 508 ASN H . 27988 1 89 . 1 . 1 20 20 ASN C C 13 175.765 . . . . . . . . 508 ASN C . 27988 1 90 . 1 . 1 20 20 ASN CA C 13 53.332 . . . . . . . . 508 ASN CA . 27988 1 91 . 1 . 1 20 20 ASN CB C 13 38.979 . . . . . . . . 508 ASN CB . 27988 1 92 . 1 . 1 20 20 ASN N N 15 117.246 . . . . . . . . 508 ASN N . 27988 1 93 . 1 . 1 21 21 GLY H H 1 8.125 . . . . . . . . 509 GLY H . 27988 1 94 . 1 . 1 21 21 GLY C C 13 174.018 . . . . . . . . 509 GLY C . 27988 1 95 . 1 . 1 21 21 GLY CA C 13 45.694 . . . . . . . . 509 GLY CA . 27988 1 96 . 1 . 1 21 21 GLY N N 15 108.762 . . . . . . . . 509 GLY N . 27988 1 97 . 1 . 1 22 22 ASN H H 1 8.364 . . . . . . . . 510 ASN H . 27988 1 98 . 1 . 1 22 22 ASN C C 13 175.921 . . . . . . . . 510 ASN C . 27988 1 99 . 1 . 1 22 22 ASN CA C 13 53.267 . . . . . . . . 510 ASN CA . 27988 1 100 . 1 . 1 22 22 ASN CB C 13 39.069 . . . . . . . . 510 ASN CB . 27988 1 101 . 1 . 1 22 22 ASN N N 15 118.628 . . . . . . . . 510 ASN N . 27988 1 102 . 1 . 1 23 23 GLY H H 1 8.464 . . . . . . . . 511 GLY H . 27988 1 103 . 1 . 1 23 23 GLY C C 13 174.559 . . . . . . . . 511 GLY C . 27988 1 104 . 1 . 1 23 23 GLY CA C 13 45.655 . . . . . . . . 511 GLY CA . 27988 1 105 . 1 . 1 23 23 GLY N N 15 109.375 . . . . . . . . 511 GLY N . 27988 1 106 . 1 . 1 24 24 GLY H H 1 8.194 . . . . . . . . 512 GLY H . 27988 1 107 . 1 . 1 24 24 GLY C C 13 173.819 . . . . . . . . 512 GLY C . 27988 1 108 . 1 . 1 24 24 GLY CA C 13 45.218 . . . . . . . . 512 GLY CA . 27988 1 109 . 1 . 1 24 24 GLY N N 15 108.357 . . . . . . . . 512 GLY N . 27988 1 110 . 1 . 1 25 25 PHE H H 1 8.140 . . . . . . . . 513 PHE H . 27988 1 111 . 1 . 1 25 25 PHE C C 13 175.861 . . . . . . . . 513 PHE C . 27988 1 112 . 1 . 1 25 25 PHE CA C 13 57.950 . . . . . . . . 513 PHE CA . 27988 1 113 . 1 . 1 25 25 PHE CB C 13 39.620 . . . . . . . . 513 PHE CB . 27988 1 114 . 1 . 1 25 25 PHE N N 15 120.264 . . . . . . . . 513 PHE N . 27988 1 115 . 1 . 1 26 26 MET H H 1 8.372 . . . . . . . . 514 MET H . 27988 1 116 . 1 . 1 26 26 MET C C 13 176.142 . . . . . . . . 514 MET C . 27988 1 117 . 1 . 1 26 26 MET CA C 13 55.387 . . . . . . . . 514 MET CA . 27988 1 118 . 1 . 1 26 26 MET CB C 13 32.683 . . . . . . . . 514 MET CB . 27988 1 119 . 1 . 1 26 26 MET N N 15 122.791 . . . . . . . . 514 MET N . 27988 1 120 . 1 . 1 27 27 GLY H H 1 7.562 . . . . . . . . 515 GLY H . 27988 1 121 . 1 . 1 27 27 GLY C C 13 173.467 . . . . . . . . 515 GLY C . 27988 1 122 . 1 . 1 27 27 GLY CA C 13 45.233 . . . . . . . . 515 GLY CA . 27988 1 123 . 1 . 1 27 27 GLY N N 15 108.619 . . . . . . . . 515 GLY N . 27988 1 124 . 1 . 1 28 28 TYR H H 1 8.015 . . . . . . . . 516 TYR H . 27988 1 125 . 1 . 1 28 28 TYR C C 13 175.735 . . . . . . . . 516 TYR C . 27988 1 126 . 1 . 1 28 28 TYR CA C 13 57.907 . . . . . . . . 516 TYR CA . 27988 1 127 . 1 . 1 28 28 TYR CB C 13 39.137 . . . . . . . . 516 TYR CB . 27988 1 128 . 1 . 1 28 28 TYR N N 15 119.871 . . . . . . . . 516 TYR N . 27988 1 129 . 1 . 1 29 29 SER H H 1 8.247 . . . . . . . . 517 SER H . 27988 1 130 . 1 . 1 29 29 SER C C 13 174.019 . . . . . . . . 517 SER C . 27988 1 131 . 1 . 1 29 29 SER CA C 13 57.847 . . . . . . . . 517 SER CA . 27988 1 132 . 1 . 1 29 29 SER CB C 13 64.080 . . . . . . . . 517 SER CB . 27988 1 133 . 1 . 1 29 29 SER N N 15 117.933 . . . . . . . . 517 SER N . 27988 1 134 . 1 . 1 30 30 ALA H H 1 8.338 . . . . . . . . 518 ALA H . 27988 1 135 . 1 . 1 30 30 ALA C C 13 177.591 . . . . . . . . 518 ALA C . 27988 1 136 . 1 . 1 30 30 ALA CA C 13 52.844 . . . . . . . . 518 ALA CA . 27988 1 137 . 1 . 1 30 30 ALA CB C 13 19.334 . . . . . . . . 518 ALA CB . 27988 1 138 . 1 . 1 30 30 ALA N N 15 126.191 . . . . . . . . 518 ALA N . 27988 1 139 . 1 . 1 31 31 GLU H H 1 8.291 . . . . . . . . 519 GLU H . 27988 1 140 . 1 . 1 31 31 GLU C C 13 176.085 . . . . . . . . 519 GLU C . 27988 1 141 . 1 . 1 31 31 GLU CA C 13 56.733 . . . . . . . . 519 GLU CA . 27988 1 142 . 1 . 1 31 31 GLU CB C 13 30.358 . . . . . . . . 519 GLU CB . 27988 1 143 . 1 . 1 31 31 GLU N N 15 118.408 . . . . . . . . 519 GLU N . 27988 1 144 . 1 . 1 32 32 ASN H H 1 8.294 . . . . . . . . 520 ASN H . 27988 1 145 . 1 . 1 32 32 ASN C C 13 174.453 . . . . . . . . 520 ASN C . 27988 1 146 . 1 . 1 32 32 ASN CA C 13 53.184 . . . . . . . . 520 ASN CA . 27988 1 147 . 1 . 1 32 32 ASN CB C 13 38.997 . . . . . . . . 520 ASN CB . 27988 1 148 . 1 . 1 32 32 ASN N N 15 119.144 . . . . . . . . 520 ASN N . 27988 1 149 . 1 . 1 33 33 ILE H H 1 8.019 . . . . . . . . 521 ILE H . 27988 1 150 . 1 . 1 33 33 ILE C C 13 174.478 . . . . . . . . 521 ILE C . 27988 1 151 . 1 . 1 33 33 ILE CA C 13 58.803 . . . . . . . . 521 ILE CA . 27988 1 152 . 1 . 1 33 33 ILE CB C 13 38.855 . . . . . . . . 521 ILE CB . 27988 1 153 . 1 . 1 33 33 ILE N N 15 122.696 . . . . . . . . 521 ILE N . 27988 1 154 . 1 . 1 34 34 PRO C C 13 177.531 . . . . . . . . 522 PRO C . 27988 1 155 . 1 . 1 34 34 PRO CA C 13 63.668 . . . . . . . . 522 PRO CA . 27988 1 156 . 1 . 1 34 34 PRO CB C 13 32.103 . . . . . . . . 522 PRO CB . 27988 1 157 . 1 . 1 34 34 PRO N N 15 140.090 . . . . . . . . 522 PRO N . 27988 1 158 . 1 . 1 35 35 GLY H H 1 8.502 . . . . . . . . 523 GLY H . 27988 1 159 . 1 . 1 35 35 GLY C C 13 174.308 . . . . . . . . 523 GLY C . 27988 1 160 . 1 . 1 35 35 GLY CA C 13 45.419 . . . . . . . . 523 GLY CA . 27988 1 161 . 1 . 1 35 35 GLY N N 15 109.621 . . . . . . . . 523 GLY N . 27988 1 162 . 1 . 1 36 36 CYS H H 1 8.165 . . . . . . . . 524 CYS H . 27988 1 163 . 1 . 1 36 36 CYS C C 13 174.771 . . . . . . . . 524 CYS C . 27988 1 164 . 1 . 1 36 36 CYS CA C 13 58.502 . . . . . . . . 524 CYS CA . 27988 1 165 . 1 . 1 36 36 CYS CB C 13 28.332 . . . . . . . . 524 CYS CB . 27988 1 166 . 1 . 1 36 36 CYS N N 15 118.636 . . . . . . . . 524 CYS N . 27988 1 167 . 1 . 1 37 37 SER H H 1 8.522 . . . . . . . . 525 SER H . 27988 1 168 . 1 . 1 37 37 SER C C 13 174.693 . . . . . . . . 525 SER C . 27988 1 169 . 1 . 1 37 37 SER CA C 13 58.499 . . . . . . . . 525 SER CA . 27988 1 170 . 1 . 1 37 37 SER CB C 13 63.883 . . . . . . . . 525 SER CB . 27988 1 171 . 1 . 1 37 37 SER N N 15 118.478 . . . . . . . . 525 SER N . 27988 1 172 . 1 . 1 38 38 SER C C 13 174.719 . . . . . . . . 526 SER C . 27988 1 173 . 1 . 1 38 38 SER CA C 13 58.490 . . . . . . . . 526 SER CA . 27988 1 174 . 1 . 1 38 38 SER CB C 13 63.816 . . . . . . . . 526 SER CB . 27988 1 175 . 1 . 1 39 39 SER H H 1 8.373 . . . . . . . . 527 SER H . 27988 1 176 . 1 . 1 39 39 SER C C 13 175.063 . . . . . . . . 527 SER C . 27988 1 177 . 1 . 1 39 39 SER CA C 13 58.593 . . . . . . . . 527 SER CA . 27988 1 178 . 1 . 1 39 39 SER CB C 13 63.831 . . . . . . . . 527 SER CB . 27988 1 179 . 1 . 1 39 39 SER N N 15 117.608 . . . . . . . . 527 SER N . 27988 1 180 . 1 . 1 40 40 GLY H H 1 8.395 . . . . . . . . 528 GLY H . 27988 1 181 . 1 . 1 40 40 GLY C C 13 174.262 . . . . . . . . 528 GLY C . 27988 1 182 . 1 . 1 40 40 GLY CA C 13 45.465 . . . . . . . . 528 GLY CA . 27988 1 183 . 1 . 1 40 40 GLY N N 15 110.728 . . . . . . . . 528 GLY N . 27988 1 184 . 1 . 1 41 41 SER H H 1 8.232 . . . . . . . . 529 SER H . 27988 1 185 . 1 . 1 41 41 SER C C 13 174.625 . . . . . . . . 529 SER C . 27988 1 186 . 1 . 1 41 41 SER N N 15 115.529 . . . . . . . . 529 SER N . 27988 1 187 . 1 . 1 42 42 CYS H H 1 8.444 . . . . . . . . 530 CYS H . 27988 1 188 . 1 . 1 42 42 CYS C C 13 174.703 . . . . . . . . 530 CYS C . 27988 1 189 . 1 . 1 42 42 CYS CB C 13 28.099 . . . . . . . . 530 CYS CB . 27988 1 190 . 1 . 1 42 42 CYS N N 15 120.857 . . . . . . . . 530 CYS N . 27988 1 191 . 1 . 1 43 43 SER H H 1 8.417 . . . . . . . . 531 SER H . 27988 1 192 . 1 . 1 43 43 SER C C 13 174.648 . . . . . . . . 531 SER C . 27988 1 193 . 1 . 1 43 43 SER N N 15 117.907 . . . . . . . . 531 SER N . 27988 1 194 . 1 . 1 44 44 GLN C C 13 176.420 . . . . . . . . 532 GLN C . 27988 1 195 . 1 . 1 44 44 GLN N N 15 122.051 . . . . . . . . 532 GLN N . 27988 1 196 . 1 . 1 45 45 GLY C C 13 174.191 . . . . . . . . 533 GLY C . 27988 1 197 . 1 . 1 45 45 GLY CA C 13 45.424 . . . . . . . . 533 GLY CA . 27988 1 198 . 1 . 1 45 45 GLY N N 15 109.898 . . . . . . . . 533 GLY N . 27988 1 199 . 1 . 1 46 46 SER H H 1 8.269 . . . . . . . . 534 SER H . 27988 1 200 . 1 . 1 46 46 SER C C 13 175.096 . . . . . . . . 534 SER C . 27988 1 201 . 1 . 1 46 46 SER N N 15 115.510 . . . . . . . . 534 SER N . 27988 1 202 . 1 . 1 47 47 GLY H H 1 8.481 . . . . . . . . 535 GLY H . 27988 1 203 . 1 . 1 47 47 GLY C C 13 173.961 . . . . . . . . 535 GLY C . 27988 1 204 . 1 . 1 47 47 GLY CA C 13 45.475 . . . . . . . . 535 GLY CA . 27988 1 205 . 1 . 1 47 47 GLY N N 15 110.879 . . . . . . . . 535 GLY N . 27988 1 206 . 1 . 1 48 48 ILE H H 1 7.880 . . . . . . . . 536 ILE H . 27988 1 207 . 1 . 1 48 48 ILE C C 13 176.005 . . . . . . . . 536 ILE C . 27988 1 208 . 1 . 1 48 48 ILE CA C 13 61.168 . . . . . . . . 536 ILE CA . 27988 1 209 . 1 . 1 48 48 ILE CB C 13 38.710 . . . . . . . . 536 ILE CB . 27988 1 210 . 1 . 1 48 48 ILE N N 15 119.682 . . . . . . . . 536 ILE N . 27988 1 211 . 1 . 1 49 49 LEU H H 1 8.183 . . . . . . . . 537 LEU H . 27988 1 212 . 1 . 1 49 49 LEU C C 13 176.627 . . . . . . . . 537 LEU C . 27988 1 213 . 1 . 1 49 49 LEU CA C 13 55.048 . . . . . . . . 537 LEU CA . 27988 1 214 . 1 . 1 49 49 LEU CB C 13 42.337 . . . . . . . . 537 LEU CB . 27988 1 215 . 1 . 1 49 49 LEU N N 15 125.576 . . . . . . . . 537 LEU N . 27988 1 216 . 1 . 1 50 50 HIS H H 1 8.237 . . . . . . . . 538 HIS H . 27988 1 217 . 1 . 1 50 50 HIS C C 13 174.283 . . . . . . . . 538 HIS C . 27988 1 218 . 1 . 1 50 50 HIS CA C 13 55.503 . . . . . . . . 538 HIS CA . 27988 1 219 . 1 . 1 50 50 HIS CB C 13 30.158 . . . . . . . . 538 HIS CB . 27988 1 220 . 1 . 1 50 50 HIS N N 15 119.690 . . . . . . . . 538 HIS N . 27988 1 221 . 1 . 1 51 51 TYR H H 1 8.088 . . . . . . . . 539 TYR H . 27988 1 222 . 1 . 1 51 51 TYR C C 13 175.266 . . . . . . . . 539 TYR C . 27988 1 223 . 1 . 1 51 51 TYR CA C 13 57.627 . . . . . . . . 539 TYR CA . 27988 1 224 . 1 . 1 51 51 TYR CB C 13 39.048 . . . . . . . . 539 TYR CB . 27988 1 225 . 1 . 1 51 51 TYR N N 15 121.462 . . . . . . . . 539 TYR N . 27988 1 226 . 1 . 1 52 52 ALA H H 1 8.325 . . . . . . . . 540 ALA H . 27988 1 227 . 1 . 1 52 52 ALA C C 13 177.135 . . . . . . . . 540 ALA C . 27988 1 228 . 1 . 1 52 52 ALA CA C 13 52.388 . . . . . . . . 540 ALA CA . 27988 1 229 . 1 . 1 52 52 ALA CB C 13 19.444 . . . . . . . . 540 ALA CB . 27988 1 230 . 1 . 1 52 52 ALA N N 15 125.740 . . . . . . . . 540 ALA N . 27988 1 231 . 1 . 1 53 53 HIS H H 1 8.241 . . . . . . . . 541 HIS H . 27988 1 232 . 1 . 1 53 53 HIS C C 13 175.537 . . . . . . . . 541 HIS C . 27988 1 233 . 1 . 1 53 53 HIS CA C 13 55.955 . . . . . . . . 541 HIS CA . 27988 1 234 . 1 . 1 53 53 HIS CB C 13 29.952 . . . . . . . . 541 HIS CB . 27988 1 235 . 1 . 1 53 53 HIS N N 15 117.994 . . . . . . . . 541 HIS N . 27988 1 236 . 1 . 1 54 54 GLY H H 1 8.354 . . . . . . . . 542 GLY H . 27988 1 237 . 1 . 1 54 54 GLY C C 13 173.842 . . . . . . . . 542 GLY C . 27988 1 238 . 1 . 1 54 54 GLY CA C 13 45.438 . . . . . . . . 542 GLY CA . 27988 1 239 . 1 . 1 54 54 GLY N N 15 110.062 . . . . . . . . 542 GLY N . 27988 1 240 . 1 . 1 55 55 ASP H H 1 8.321 . . . . . . . . 543 ASP H . 27988 1 241 . 1 . 1 55 55 ASP C C 13 176.694 . . . . . . . . 543 ASP C . 27988 1 242 . 1 . 1 55 55 ASP CA C 13 54.341 . . . . . . . . 543 ASP CA . 27988 1 243 . 1 . 1 55 55 ASP CB C 13 41.463 . . . . . . . . 543 ASP CB . 27988 1 244 . 1 . 1 55 55 ASP N N 15 120.706 . . . . . . . . 543 ASP N . 27988 1 245 . 1 . 1 56 56 SER H H 1 8.375 . . . . . . . . 544 SER H . 27988 1 246 . 1 . 1 56 56 SER C C 13 174.944 . . . . . . . . 544 SER C . 27988 1 247 . 1 . 1 56 56 SER N N 15 116.402 . . . . . . . . 544 SER N . 27988 1 248 . 1 . 1 57 57 GLN H H 1 8.465 . . . . . . . . 545 GLN H . 27988 1 249 . 1 . 1 57 57 GLN C C 13 176.342 . . . . . . . . 545 GLN C . 27988 1 250 . 1 . 1 57 57 GLN CA C 13 56.455 . . . . . . . . 545 GLN CA . 27988 1 251 . 1 . 1 57 57 GLN N N 15 121.432 . . . . . . . . 545 GLN N . 27988 1 252 . 1 . 1 58 58 GLN H H 1 8.309 . . . . . . . . 546 GLN H . 27988 1 253 . 1 . 1 58 58 GLN C C 13 176.550 . . . . . . . . 546 GLN C . 27988 1 254 . 1 . 1 58 58 GLN CA C 13 56.418 . . . . . . . . 546 GLN CA . 27988 1 255 . 1 . 1 58 58 GLN CB C 13 29.206 . . . . . . . . 546 GLN CB . 27988 1 256 . 1 . 1 58 58 GLN N N 15 120.004 . . . . . . . . 546 GLN N . 27988 1 257 . 1 . 1 59 59 THR H H 1 8.102 . . . . . . . . 547 THR H . 27988 1 258 . 1 . 1 59 59 THR C C 13 174.766 . . . . . . . . 547 THR C . 27988 1 259 . 1 . 1 59 59 THR CA C 13 62.887 . . . . . . . . 547 THR CA . 27988 1 260 . 1 . 1 59 59 THR CB C 13 69.492 . . . . . . . . 547 THR CB . 27988 1 261 . 1 . 1 59 59 THR N N 15 114.584 . . . . . . . . 547 THR N . 27988 1 262 . 1 . 1 60 60 HIS C C 13 175.233 . . . . . . . . 548 HIS C . 27988 1 263 . 1 . 1 60 60 HIS CA C 13 56.479 . . . . . . . . 548 HIS CA . 27988 1 264 . 1 . 1 60 60 HIS CB C 13 29.963 . . . . . . . . 548 HIS CB . 27988 1 265 . 1 . 1 60 60 HIS N N 15 120.905 . . . . . . . . 548 HIS N . 27988 1 266 . 1 . 1 61 61 LEU H H 1 8.016 . . . . . . . . 549 LEU H . 27988 1 267 . 1 . 1 61 61 LEU C C 13 177.440 . . . . . . . . 549 LEU C . 27988 1 268 . 1 . 1 61 61 LEU CA C 13 55.581 . . . . . . . . 549 LEU CA . 27988 1 269 . 1 . 1 61 61 LEU CB C 13 42.267 . . . . . . . . 549 LEU CB . 27988 1 270 . 1 . 1 61 61 LEU N N 15 122.182 . . . . . . . . 549 LEU N . 27988 1 271 . 1 . 1 62 62 LEU H H 1 8.127 . . . . . . . . 550 LEU H . 27988 1 272 . 1 . 1 62 62 LEU C C 13 177.511 . . . . . . . . 550 LEU C . 27988 1 273 . 1 . 1 62 62 LEU CA C 13 55.375 . . . . . . . . 550 LEU CA . 27988 1 274 . 1 . 1 62 62 LEU CB C 13 42.292 . . . . . . . . 550 LEU CB . 27988 1 275 . 1 . 1 62 62 LEU N N 15 122.006 . . . . . . . . 550 LEU N . 27988 1 276 . 1 . 1 63 63 LYS H H 1 8.208 . . . . . . . . 551 LYS H . 27988 1 277 . 1 . 1 63 63 LYS C C 13 176.599 . . . . . . . . 551 LYS C . 27988 1 278 . 1 . 1 63 63 LYS CA C 13 56.551 . . . . . . . . 551 LYS CA . 27988 1 279 . 1 . 1 63 63 LYS CB C 13 32.878 . . . . . . . . 551 LYS CB . 27988 1 280 . 1 . 1 63 63 LYS N N 15 121.609 . . . . . . . . 551 LYS N . 27988 1 281 . 1 . 1 64 64 GLN H H 1 8.306 . . . . . . . . 552 GLN H . 27988 1 282 . 1 . 1 64 64 GLN C C 13 176.429 . . . . . . . . 552 GLN C . 27988 1 283 . 1 . 1 64 64 GLN CA C 13 56.087 . . . . . . . . 552 GLN CA . 27988 1 284 . 1 . 1 64 64 GLN CB C 13 29.552 . . . . . . . . 552 GLN CB . 27988 1 285 . 1 . 1 64 64 GLN N N 15 120.746 . . . . . . . . 552 GLN N . 27988 1 286 . 1 . 1 65 65 GLY H H 1 8.404 . . . . . . . . 553 GLY H . 27988 1 287 . 1 . 1 65 65 GLY C C 13 174.108 . . . . . . . . 553 GLY C . 27988 1 288 . 1 . 1 65 65 GLY CA C 13 45.395 . . . . . . . . 553 GLY CA . 27988 1 289 . 1 . 1 65 65 GLY N N 15 109.886 . . . . . . . . 553 GLY N . 27988 1 290 . 1 . 1 66 66 ARG H H 1 8.229 . . . . . . . . 554 ARG H . 27988 1 291 . 1 . 1 66 66 ARG C C 13 176.569 . . . . . . . . 554 ARG C . 27988 1 292 . 1 . 1 66 66 ARG CA C 13 56.184 . . . . . . . . 554 ARG CA . 27988 1 293 . 1 . 1 66 66 ARG CB C 13 31.027 . . . . . . . . 554 ARG CB . 27988 1 294 . 1 . 1 66 66 ARG N N 15 120.486 . . . . . . . . 554 ARG N . 27988 1 295 . 1 . 1 67 67 SER H H 1 8.440 . . . . . . . . 555 SER H . 27988 1 296 . 1 . 1 67 67 SER C C 13 174.700 . . . . . . . . 555 SER C . 27988 1 297 . 1 . 1 67 67 SER CA C 13 61.059 . . . . . . . . 555 SER CA . 27988 1 298 . 1 . 1 67 67 SER N N 15 116.846 . . . . . . . . 555 SER N . 27988 1 299 . 1 . 1 68 68 SER H H 1 8.406 . . . . . . . . 556 SER H . 27988 1 300 . 1 . 1 68 68 SER C C 13 174.587 . . . . . . . . 556 SER C . 27988 1 301 . 1 . 1 68 68 SER CA C 13 58.490 . . . . . . . . 556 SER CA . 27988 1 302 . 1 . 1 68 68 SER CB C 13 63.800 . . . . . . . . 556 SER CB . 27988 1 303 . 1 . 1 68 68 SER N N 15 117.903 . . . . . . . . 556 SER N . 27988 1 304 . 1 . 1 69 69 MET H H 1 8.356 . . . . . . . . 557 MET H . 27988 1 305 . 1 . 1 69 69 MET C C 13 176.702 . . . . . . . . 557 MET C . 27988 1 306 . 1 . 1 69 69 MET CA C 13 55.877 . . . . . . . . 557 MET CA . 27988 1 307 . 1 . 1 69 69 MET CB C 13 32.943 . . . . . . . . 557 MET CB . 27988 1 308 . 1 . 1 69 69 MET N N 15 121.801 . . . . . . . . 557 MET N . 27988 1 309 . 1 . 1 70 70 GLY H H 1 8.398 . . . . . . . . 558 GLY H . 27988 1 310 . 1 . 1 70 70 GLY C C 13 174.385 . . . . . . . . 558 GLY C . 27988 1 311 . 1 . 1 70 70 GLY CA C 13 45.447 . . . . . . . . 558 GLY CA . 27988 1 312 . 1 . 1 70 70 GLY N N 15 109.752 . . . . . . . . 558 GLY N . 27988 1 313 . 1 . 1 71 71 THR H H 1 8.129 . . . . . . . . 559 THR H . 27988 1 314 . 1 . 1 71 71 THR C C 13 175.355 . . . . . . . . 559 THR C . 27988 1 315 . 1 . 1 71 71 THR CA C 13 61.927 . . . . . . . . 559 THR CA . 27988 1 316 . 1 . 1 71 71 THR CB C 13 69.846 . . . . . . . . 559 THR CB . 27988 1 317 . 1 . 1 71 71 THR N N 15 112.844 . . . . . . . . 559 THR N . 27988 1 318 . 1 . 1 72 72 GLY H H 1 8.506 . . . . . . . . 560 GLY H . 27988 1 319 . 1 . 1 72 72 GLY C C 13 174.282 . . . . . . . . 560 GLY C . 27988 1 320 . 1 . 1 72 72 GLY CA C 13 45.487 . . . . . . . . 560 GLY CA . 27988 1 321 . 1 . 1 72 72 GLY N N 15 111.026 . . . . . . . . 560 GLY N . 27988 1 322 . 1 . 1 73 73 LEU H H 1 8.174 . . . . . . . . 561 LEU H . 27988 1 323 . 1 . 1 73 73 LEU C C 13 177.772 . . . . . . . . 561 LEU C . 27988 1 324 . 1 . 1 73 73 LEU CA C 13 55.284 . . . . . . . . 561 LEU CA . 27988 1 325 . 1 . 1 73 73 LEU CB C 13 42.456 . . . . . . . . 561 LEU CB . 27988 1 326 . 1 . 1 73 73 LEU N N 15 121.592 . . . . . . . . 561 LEU N . 27988 1 327 . 1 . 1 74 74 SER H H 1 8.379 . . . . . . . . 562 SER H . 27988 1 328 . 1 . 1 74 74 SER C C 13 175.155 . . . . . . . . 562 SER C . 27988 1 329 . 1 . 1 74 74 SER CA C 13 58.644 . . . . . . . . 562 SER CA . 27988 1 330 . 1 . 1 74 74 SER CB C 13 63.838 . . . . . . . . 562 SER CB . 27988 1 331 . 1 . 1 74 74 SER N N 15 116.347 . . . . . . . . 562 SER N . 27988 1 332 . 1 . 1 75 75 GLY H H 1 8.484 . . . . . . . . 563 GLY H . 27988 1 333 . 1 . 1 75 75 GLY C C 13 174.669 . . . . . . . . 563 GLY C . 27988 1 334 . 1 . 1 75 75 GLY CA C 13 45.478 . . . . . . . . 563 GLY CA . 27988 1 335 . 1 . 1 75 75 GLY N N 15 110.889 . . . . . . . . 563 GLY N . 27988 1 336 . 1 . 1 76 76 GLY H H 1 8.243 . . . . . . . . 564 GLY H . 27988 1 337 . 1 . 1 76 76 GLY C C 13 173.841 . . . . . . . . 564 GLY C . 27988 1 338 . 1 . 1 76 76 GLY CA C 13 45.199 . . . . . . . . 564 GLY CA . 27988 1 339 . 1 . 1 76 76 GLY N N 15 108.462 . . . . . . . . 564 GLY N . 27988 1 340 . 1 . 1 77 77 LYS H H 1 8.127 . . . . . . . . 565 LYS H . 27988 1 341 . 1 . 1 77 77 LYS C C 13 176.359 . . . . . . . . 565 LYS C . 27988 1 342 . 1 . 1 77 77 LYS CA C 13 56.082 . . . . . . . . 565 LYS CA . 27988 1 343 . 1 . 1 77 77 LYS CB C 13 33.337 . . . . . . . . 565 LYS CB . 27988 1 344 . 1 . 1 77 77 LYS N N 15 120.689 . . . . . . . . 565 LYS N . 27988 1 345 . 1 . 1 78 78 ARG H H 1 8.460 . . . . . . . . 566 ARG H . 27988 1 346 . 1 . 1 78 78 ARG C C 13 174.328 . . . . . . . . 566 ARG C . 27988 1 347 . 1 . 1 78 78 ARG CA C 13 53.975 . . . . . . . . 566 ARG CA . 27988 1 348 . 1 . 1 78 78 ARG CB C 13 30.226 . . . . . . . . 566 ARG CB . 27988 1 349 . 1 . 1 78 78 ARG N N 15 124.074 . . . . . . . . 566 ARG N . 27988 1 350 . 1 . 1 79 79 PRO C C 13 176.945 . . . . . . . . 567 PRO C . 27988 1 351 . 1 . 1 79 79 PRO CA C 13 63.246 . . . . . . . . 567 PRO CA . 27988 1 352 . 1 . 1 79 79 PRO CB C 13 32.180 . . . . . . . . 567 PRO CB . 27988 1 353 . 1 . 1 79 79 PRO N N 15 137.165 . . . . . . . . 567 PRO N . 27988 1 354 . 1 . 1 80 80 SER H H 1 8.449 . . . . . . . . 568 SER H . 27988 1 355 . 1 . 1 80 80 SER C C 13 174.646 . . . . . . . . 568 SER C . 27988 1 356 . 1 . 1 80 80 SER CA C 13 58.638 . . . . . . . . 568 SER CA . 27988 1 357 . 1 . 1 80 80 SER CB C 13 63.752 . . . . . . . . 568 SER CB . 27988 1 358 . 1 . 1 80 80 SER N N 15 116.307 . . . . . . . . 568 SER N . 27988 1 359 . 1 . 1 81 81 GLN H H 1 8.468 . . . . . . . . 569 GLN H . 27988 1 360 . 1 . 1 81 81 GLN C C 13 175.989 . . . . . . . . 569 GLN C . 27988 1 361 . 1 . 1 81 81 GLN CA C 13 56.285 . . . . . . . . 569 GLN CA . 27988 1 362 . 1 . 1 81 81 GLN CB C 13 29.402 . . . . . . . . 569 GLN CB . 27988 1 363 . 1 . 1 81 81 GLN N N 15 121.680 . . . . . . . . 569 GLN N . 27988 1 364 . 1 . 1 82 82 GLU H H 1 8.432 . . . . . . . . 570 GLU H . 27988 1 365 . 1 . 1 82 82 GLU C C 13 176.567 . . . . . . . . 570 GLU C . 27988 1 366 . 1 . 1 82 82 GLU CA C 13 56.880 . . . . . . . . 570 GLU CA . 27988 1 367 . 1 . 1 82 82 GLU N N 15 121.544 . . . . . . . . 570 GLU N . 27988 1 368 . 1 . 1 83 83 GLU H H 1 8.386 . . . . . . . . 571 GLU H . 27988 1 369 . 1 . 1 83 83 GLU C C 13 176.289 . . . . . . . . 571 GLU C . 27988 1 370 . 1 . 1 83 83 GLU CA C 13 56.746 . . . . . . . . 571 GLU CA . 27988 1 371 . 1 . 1 83 83 GLU CB C 13 30.501 . . . . . . . . 571 GLU CB . 27988 1 372 . 1 . 1 83 83 GLU N N 15 121.314 . . . . . . . . 571 GLU N . 27988 1 373 . 1 . 1 84 84 ASP H H 1 8.428 . . . . . . . . 572 ASP H . 27988 1 374 . 1 . 1 84 84 ASP C C 13 176.787 . . . . . . . . 572 ASP C . 27988 1 375 . 1 . 1 84 84 ASP CA C 13 54.438 . . . . . . . . 572 ASP CA . 27988 1 376 . 1 . 1 84 84 ASP CB C 13 41.156 . . . . . . . . 572 ASP CB . 27988 1 377 . 1 . 1 84 84 ASP N N 15 121.683 . . . . . . . . 572 ASP N . 27988 1 378 . 1 . 1 85 85 THR H H 1 8.157 . . . . . . . . 573 THR H . 27988 1 379 . 1 . 1 85 85 THR C C 13 175.000 . . . . . . . . 573 THR C . 27988 1 380 . 1 . 1 85 85 THR CA C 13 62.340 . . . . . . . . 573 THR CA . 27988 1 381 . 1 . 1 85 85 THR CB C 13 69.517 . . . . . . . . 573 THR CB . 27988 1 382 . 1 . 1 85 85 THR N N 15 114.556 . . . . . . . . 573 THR N . 27988 1 383 . 1 . 1 86 86 GLN H H 1 8.386 . . . . . . . . 574 GLN H . 27988 1 384 . 1 . 1 86 86 GLN C C 13 176.137 . . . . . . . . 574 GLN C . 27988 1 385 . 1 . 1 86 86 GLN CA C 13 56.186 . . . . . . . . 574 GLN CA . 27988 1 386 . 1 . 1 86 86 GLN CB C 13 29.407 . . . . . . . . 574 GLN CB . 27988 1 387 . 1 . 1 86 86 GLN N N 15 121.804 . . . . . . . . 574 GLN N . 27988 1 388 . 1 . 1 87 87 SER H H 1 8.262 . . . . . . . . 575 SER H . 27988 1 389 . 1 . 1 87 87 SER C C 13 174.362 . . . . . . . . 575 SER C . 27988 1 390 . 1 . 1 87 87 SER CA C 13 58.444 . . . . . . . . 575 SER CA . 27988 1 391 . 1 . 1 87 87 SER CB C 13 63.646 . . . . . . . . 575 SER CB . 27988 1 392 . 1 . 1 87 87 SER N N 15 116.642 . . . . . . . . 575 SER N . 27988 1 393 . 1 . 1 88 88 ILE H H 1 8.096 . . . . . . . . 576 ILE H . 27988 1 394 . 1 . 1 88 88 ILE C C 13 176.319 . . . . . . . . 576 ILE C . 27988 1 395 . 1 . 1 88 88 ILE CA C 13 61.188 . . . . . . . . 576 ILE CA . 27988 1 396 . 1 . 1 88 88 ILE CB C 13 38.928 . . . . . . . . 576 ILE CB . 27988 1 397 . 1 . 1 88 88 ILE N N 15 121.778 . . . . . . . . 576 ILE N . 27988 1 398 . 1 . 1 89 89 GLY H H 1 8.252 . . . . . . . . 577 GLY H . 27988 1 399 . 1 . 1 89 89 GLY C C 13 171.685 . . . . . . . . 577 GLY C . 27988 1 400 . 1 . 1 89 89 GLY CA C 13 44.614 . . . . . . . . 577 GLY CA . 27988 1 401 . 1 . 1 89 89 GLY N N 15 112.595 . . . . . . . . 577 GLY N . 27988 1 402 . 1 . 1 90 90 PRO C C 13 177.060 . . . . . . . . 578 PRO C . 27988 1 403 . 1 . 1 90 90 PRO CA C 13 63.080 . . . . . . . . 578 PRO CA . 27988 1 404 . 1 . 1 90 90 PRO CB C 13 32.836 . . . . . . . . 578 PRO CB . 27988 1 405 . 1 . 1 90 90 PRO N N 15 134.187 . . . . . . . . 578 PRO N . 27988 1 406 . 1 . 1 91 91 LYS H H 1 8.423 . . . . . . . . 579 LYS H . 27988 1 407 . 1 . 1 91 91 LYS C C 13 176.667 . . . . . . . . 579 LYS C . 27988 1 408 . 1 . 1 91 91 LYS CB C 13 32.813 . . . . . . . . 579 LYS CB . 27988 1 409 . 1 . 1 91 91 LYS N N 15 121.542 . . . . . . . . 579 LYS N . 27988 1 410 . 1 . 1 92 92 VAL H H 1 8.097 . . . . . . . . 580 VAL H . 27988 1 411 . 1 . 1 92 92 VAL C C 13 175.932 . . . . . . . . 580 VAL C . 27988 1 412 . 1 . 1 92 92 VAL CA C 13 62.214 . . . . . . . . 580 VAL CA . 27988 1 413 . 1 . 1 92 92 VAL CB C 13 32.914 . . . . . . . . 580 VAL CB . 27988 1 414 . 1 . 1 92 92 VAL N N 15 121.592 . . . . . . . . 580 VAL N . 27988 1 415 . 1 . 1 93 93 GLN H H 1 8.486 . . . . . . . . 581 GLN H . 27988 1 416 . 1 . 1 93 93 GLN C C 13 175.679 . . . . . . . . 581 GLN C . 27988 1 417 . 1 . 1 93 93 GLN CA C 13 55.678 . . . . . . . . 581 GLN CA . 27988 1 418 . 1 . 1 93 93 GLN CB C 13 29.576 . . . . . . . . 581 GLN CB . 27988 1 419 . 1 . 1 93 93 GLN N N 15 124.775 . . . . . . . . 581 GLN N . 27988 1 420 . 1 . 1 94 94 ARG H H 1 8.443 . . . . . . . . 582 ARG H . 27988 1 421 . 1 . 1 94 94 ARG C C 13 176.082 . . . . . . . . 582 ARG C . 27988 1 422 . 1 . 1 94 94 ARG CA C 13 56.055 . . . . . . . . 582 ARG CA . 27988 1 423 . 1 . 1 94 94 ARG CB C 13 31.043 . . . . . . . . 582 ARG CB . 27988 1 424 . 1 . 1 94 94 ARG N N 15 123.286 . . . . . . . . 582 ARG N . 27988 1 425 . 1 . 1 95 95 GLN H H 1 8.541 . . . . . . . . 583 GLN H . 27988 1 426 . 1 . 1 95 95 GLN C C 13 175.893 . . . . . . . . 583 GLN C . 27988 1 427 . 1 . 1 95 95 GLN CA C 13 55.843 . . . . . . . . 583 GLN CA . 27988 1 428 . 1 . 1 95 95 GLN CB C 13 29.684 . . . . . . . . 583 GLN CB . 27988 1 429 . 1 . 1 95 95 GLN N N 15 122.158 . . . . . . . . 583 GLN N . 27988 1 430 . 1 . 1 96 96 SER H H 1 8.464 . . . . . . . . 584 SER H . 27988 1 431 . 1 . 1 96 96 SER C C 13 174.578 . . . . . . . . 584 SER C . 27988 1 432 . 1 . 1 96 96 SER CA C 13 58.383 . . . . . . . . 584 SER CA . 27988 1 433 . 1 . 1 96 96 SER CB C 13 63.898 . . . . . . . . 584 SER CB . 27988 1 434 . 1 . 1 96 96 SER N N 15 117.520 . . . . . . . . 584 SER N . 27988 1 435 . 1 . 1 97 97 THR H H 1 8.254 . . . . . . . . 585 THR H . 27988 1 436 . 1 . 1 97 97 THR C C 13 173.598 . . . . . . . . 585 THR C . 27988 1 437 . 1 . 1 97 97 THR CA C 13 61.681 . . . . . . . . 585 THR CA . 27988 1 438 . 1 . 1 97 97 THR CB C 13 69.832 . . . . . . . . 585 THR CB . 27988 1 439 . 1 . 1 97 97 THR N N 15 115.452 . . . . . . . . 585 THR N . 27988 1 440 . 1 . 1 98 98 ASN H H 1 8.083 . . . . . . . . 586 ASN H . 27988 1 441 . 1 . 1 98 98 ASN CA C 13 54.918 . . . . . . . . 586 ASN CA . 27988 1 442 . 1 . 1 98 98 ASN CB C 13 40.371 . . . . . . . . 586 ASN CB . 27988 1 443 . 1 . 1 98 98 ASN N N 15 125.931 . . . . . . . . 586 ASN N . 27988 1 stop_ save_