data_51023 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51023 _Entry.Title ; FLN5 A3A3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-07-22 _Entry.Accession_date 2021-07-22 _Entry.Last_release_date 2021-07-22 _Entry.Original_release_date 2021-07-22 _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 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'Backbone assignment of FLN5 A3A3 (mutant of the fifth filamin domain from Dictyostelium discoideum)' _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 Anais Cassaignau . M.E. . 0000-0003-3963-082X 51023 2 Tomasz Wlodarski . . . . 51023 3 Sammy Chan . H.S. . . 51023 4 Lauren Woodburn . F. . . 51023 5 Ivana 'Vujkovic Bukvin' . . . . 51023 6 Julian Streit . O. . . 51023 7 Lisa Cabrita . D. . . 51023 8 Christopher Waudby . A. . 0000-0001-7810-3753 51023 9 John Christodoulou . . . 0000-0002-6710-3843 51023 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51023 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 96 51023 '1H chemical shifts' 96 51023 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 . . 2022-02-04 2021-07-22 update BMRB 'update entry citation' 51023 1 . . 2021-08-23 2021-07-22 original author 'original release' 51023 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51028 'FLN5 A3A3E6' 51023 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51023 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34650236 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Interactions between nascent proteins and the ribosome surface inhibit co-translational folding ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Chem.' _Citation.Journal_name_full 'Nature chemistry' _Citation.Journal_volume 13 _Citation.Journal_issue 12 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1755-4349 _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 1214 _Citation.Page_last 1220 _Citation.Year 2021 _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 Anais Cassaignau . M.E. . . 51023 1 2 Tomasz Wlodarski . . . . 51023 1 3 Sammy Chan . H.S. . . 51023 1 4 Lauren Woodburn . F. . . 51023 1 5 Ivana 'Vujkovic Bukvin' . . . . 51023 1 6 Julian Streit . O. . . 51023 1 7 Lisa Cabrita . D. . . 51023 1 8 Christopher Waudby . A. . . 51023 1 9 John Christodoulou . . . . 51023 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51023 _Assembly.ID 1 _Assembly.Name 'FLN5 A3A3' _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 'FLN5 A3A3' 1 $entity_1 . . yes unfolded no no . . . 51023 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51023 _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 ; MHHHHHHASKPAPSAEHSYA EGEGNVKVADNAPAEATIAA VDTKGVARTDGGDPFEVAIN GPDGLVVDAKVTDNNDGTAG VVADAPVEGNANVNVTLRGN PIKNMPIDVKCIEGPIDVKV IEGPIDVKVIEGPIDVKVIE GPIDVKCIEG ; _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 . MET . 51023 1 2 . HIS . 51023 1 3 . HIS . 51023 1 4 . HIS . 51023 1 5 . HIS . 51023 1 6 . HIS . 51023 1 7 . HIS . 51023 1 8 . ALA . 51023 1 9 645 SER . 51023 1 10 646 LYS . 51023 1 11 647 PRO . 51023 1 12 648 ALA . 51023 1 13 649 PRO . 51023 1 14 650 SER . 51023 1 15 651 ALA . 51023 1 16 652 GLU . 51023 1 17 653 HIS . 51023 1 18 654 SER . 51023 1 19 655 TYR . 51023 1 20 656 ALA . 51023 1 21 657 GLU . 51023 1 22 658 GLY . 51023 1 23 659 GLU . 51023 1 24 660 GLY . 51023 1 25 661 ASN . 51023 1 26 662 VAL . 51023 1 27 663 LYS . 51023 1 28 664 VAL . 51023 1 29 665 ALA . 51023 1 30 666 ASP . 51023 1 31 667 ASN . 51023 1 32 668 ALA . 51023 1 33 669 PRO . 51023 1 34 670 ALA . 51023 1 35 671 GLU . 51023 1 36 672 ALA . 51023 1 37 673 THR . 51023 1 38 674 ILE . 51023 1 39 675 ALA . 51023 1 40 676 ALA . 51023 1 41 677 VAL . 51023 1 42 678 ASP . 51023 1 43 679 THR . 51023 1 44 680 LYS . 51023 1 45 681 GLY . 51023 1 46 682 VAL . 51023 1 47 683 ALA . 51023 1 48 684 ARG . 51023 1 49 685 THR . 51023 1 50 686 ASP . 51023 1 51 687 GLY . 51023 1 52 688 GLY . 51023 1 53 689 ASP . 51023 1 54 690 PRO . 51023 1 55 691 PHE . 51023 1 56 692 GLU . 51023 1 57 693 VAL . 51023 1 58 694 ALA . 51023 1 59 695 ILE . 51023 1 60 696 ASN . 51023 1 61 697 GLY . 51023 1 62 698 PRO . 51023 1 63 699 ASP . 51023 1 64 700 GLY . 51023 1 65 701 LEU . 51023 1 66 702 VAL . 51023 1 67 703 VAL . 51023 1 68 704 ASP . 51023 1 69 705 ALA . 51023 1 70 706 LYS . 51023 1 71 707 VAL . 51023 1 72 708 THR . 51023 1 73 709 ASP . 51023 1 74 710 ASN . 51023 1 75 711 ASN . 51023 1 76 712 ASP . 51023 1 77 713 GLY . 51023 1 78 714 THR . 51023 1 79 715 ALA . 51023 1 80 716 GLY . 51023 1 81 717 VAL . 51023 1 82 718 VAL . 51023 1 83 719 ALA . 51023 1 84 720 ASP . 51023 1 85 721 ALA . 51023 1 86 722 PRO . 51023 1 87 723 VAL . 51023 1 88 724 GLU . 51023 1 89 725 GLY . 51023 1 90 726 ASN . 51023 1 91 727 ALA . 51023 1 92 728 ASN . 51023 1 93 729 VAL . 51023 1 94 730 ASN . 51023 1 95 731 VAL . 51023 1 96 732 THR . 51023 1 97 733 LEU . 51023 1 98 734 ARG . 51023 1 99 735 GLY . 51023 1 100 736 ASN . 51023 1 101 737 PRO . 51023 1 102 738 ILE . 51023 1 103 739 LYS . 51023 1 104 740 ASN . 51023 1 105 741 MET . 51023 1 106 742 PRO . 51023 1 107 743 ILE . 51023 1 108 744 ASP . 51023 1 109 745 VAL . 51023 1 110 746 LYS . 51023 1 111 747 CYS . 51023 1 112 748 ILE . 51023 1 113 749 GLU . 51023 1 114 750 GLY . 51023 1 115 751 PRO . 51023 1 116 752 ILE . 51023 1 117 753 ASP . 51023 1 118 754 VAL . 51023 1 119 755 LYS . 51023 1 120 756 VAL . 51023 1 121 757 ILE . 51023 1 122 758 GLU . 51023 1 123 759 GLY . 51023 1 124 760 PRO . 51023 1 125 761 ILE . 51023 1 126 762 ASP . 51023 1 127 763 VAL . 51023 1 128 764 LYS . 51023 1 129 765 VAL . 51023 1 130 766 ILE . 51023 1 131 767 GLU . 51023 1 132 768 GLY . 51023 1 133 769 PRO . 51023 1 134 770 ILE . 51023 1 135 771 ASP . 51023 1 136 772 VAL . 51023 1 137 773 LYS . 51023 1 138 774 VAL . 51023 1 139 775 ILE . 51023 1 140 776 GLU . 51023 1 141 777 GLY . 51023 1 142 778 PRO . 51023 1 143 779 ILE . 51023 1 144 780 ASP . 51023 1 145 781 VAL . 51023 1 146 782 LYS . 51023 1 147 783 CYS . 51023 1 148 784 ILE . 51023 1 149 785 GLU . 51023 1 150 786 GLY . 51023 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 51023 1 . HIS 2 2 51023 1 . HIS 3 3 51023 1 . HIS 4 4 51023 1 . HIS 5 5 51023 1 . HIS 6 6 51023 1 . HIS 7 7 51023 1 . ALA 8 8 51023 1 . SER 9 9 51023 1 . LYS 10 10 51023 1 . PRO 11 11 51023 1 . ALA 12 12 51023 1 . PRO 13 13 51023 1 . SER 14 14 51023 1 . ALA 15 15 51023 1 . GLU 16 16 51023 1 . HIS 17 17 51023 1 . SER 18 18 51023 1 . TYR 19 19 51023 1 . ALA 20 20 51023 1 . GLU 21 21 51023 1 . GLY 22 22 51023 1 . GLU 23 23 51023 1 . GLY 24 24 51023 1 . ASN 25 25 51023 1 . VAL 26 26 51023 1 . LYS 27 27 51023 1 . VAL 28 28 51023 1 . ALA 29 29 51023 1 . ASP 30 30 51023 1 . ASN 31 31 51023 1 . ALA 32 32 51023 1 . PRO 33 33 51023 1 . ALA 34 34 51023 1 . GLU 35 35 51023 1 . ALA 36 36 51023 1 . THR 37 37 51023 1 . ILE 38 38 51023 1 . ALA 39 39 51023 1 . ALA 40 40 51023 1 . VAL 41 41 51023 1 . ASP 42 42 51023 1 . THR 43 43 51023 1 . LYS 44 44 51023 1 . GLY 45 45 51023 1 . VAL 46 46 51023 1 . ALA 47 47 51023 1 . ARG 48 48 51023 1 . THR 49 49 51023 1 . ASP 50 50 51023 1 . GLY 51 51 51023 1 . GLY 52 52 51023 1 . ASP 53 53 51023 1 . PRO 54 54 51023 1 . PHE 55 55 51023 1 . GLU 56 56 51023 1 . VAL 57 57 51023 1 . ALA 58 58 51023 1 . ILE 59 59 51023 1 . ASN 60 60 51023 1 . GLY 61 61 51023 1 . PRO 62 62 51023 1 . ASP 63 63 51023 1 . GLY 64 64 51023 1 . LEU 65 65 51023 1 . VAL 66 66 51023 1 . VAL 67 67 51023 1 . ASP 68 68 51023 1 . ALA 69 69 51023 1 . LYS 70 70 51023 1 . VAL 71 71 51023 1 . THR 72 72 51023 1 . ASP 73 73 51023 1 . ASN 74 74 51023 1 . ASN 75 75 51023 1 . ASP 76 76 51023 1 . GLY 77 77 51023 1 . THR 78 78 51023 1 . ALA 79 79 51023 1 . GLY 80 80 51023 1 . VAL 81 81 51023 1 . VAL 82 82 51023 1 . ALA 83 83 51023 1 . ASP 84 84 51023 1 . ALA 85 85 51023 1 . PRO 86 86 51023 1 . VAL 87 87 51023 1 . GLU 88 88 51023 1 . GLY 89 89 51023 1 . ASN 90 90 51023 1 . ALA 91 91 51023 1 . ASN 92 92 51023 1 . VAL 93 93 51023 1 . ASN 94 94 51023 1 . VAL 95 95 51023 1 . THR 96 96 51023 1 . LEU 97 97 51023 1 . ARG 98 98 51023 1 . GLY 99 99 51023 1 . ASN 100 100 51023 1 . PRO 101 101 51023 1 . ILE 102 102 51023 1 . LYS 103 103 51023 1 . ASN 104 104 51023 1 . MET 105 105 51023 1 . PRO 106 106 51023 1 . ILE 107 107 51023 1 . ASP 108 108 51023 1 . VAL 109 109 51023 1 . LYS 110 110 51023 1 . CYS 111 111 51023 1 . ILE 112 112 51023 1 . GLU 113 113 51023 1 . GLY 114 114 51023 1 . PRO 115 115 51023 1 . ILE 116 116 51023 1 . ASP 117 117 51023 1 . VAL 118 118 51023 1 . LYS 119 119 51023 1 . VAL 120 120 51023 1 . ILE 121 121 51023 1 . GLU 122 122 51023 1 . GLY 123 123 51023 1 . PRO 124 124 51023 1 . ILE 125 125 51023 1 . ASP 126 126 51023 1 . VAL 127 127 51023 1 . LYS 128 128 51023 1 . VAL 129 129 51023 1 . ILE 130 130 51023 1 . GLU 131 131 51023 1 . GLY 132 132 51023 1 . PRO 133 133 51023 1 . ILE 134 134 51023 1 . ASP 135 135 51023 1 . VAL 136 136 51023 1 . LYS 137 137 51023 1 . VAL 138 138 51023 1 . ILE 139 139 51023 1 . GLU 140 140 51023 1 . GLY 141 141 51023 1 . PRO 142 142 51023 1 . ILE 143 143 51023 1 . ASP 144 144 51023 1 . VAL 145 145 51023 1 . LYS 146 146 51023 1 . CYS 147 147 51023 1 . ILE 148 148 51023 1 . GLU 149 149 51023 1 . GLY 150 150 51023 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 51023 _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 . 44689 organism . 'Dictyostelium discoideum' 'Dictyostelium discoideum' . . Eukaryota . Dictyostelium discoideum . . . . . . . . . . . . . 51023 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 51023 _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 . . pLDC . . . 51023 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51023 _Sample.ID 1 _Sample.Name 'FLN5 A3A3' _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 'FLN5 A3A3' '[U-100% 15N]' . . 1 $entity_1 . . 150 . . uM . . . . 51023 1 2 HEPES 'natural abundance' . . . . . . 10 . . mM . . . . 51023 1 3 NH4Cl 'natural abundance' . . . . . . 30 . . mM . . . . 51023 1 4 MgCl2 'natural abundance' . . . . . . 12 . . mM . . . . 51023 1 5 EDTA 'natural abundance' . . . . . . 5 . . mM . . . . 51023 1 6 DSS 'natural abundance' . . . . . . 0.001 . . % . . . . 51023 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 51023 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 51023 _Sample_condition_list.ID 1 _Sample_condition_list.Name 283K _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.5 . pH 51023 1 pressure 1 . atm 51023 1 temperature 283 . K 51023 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51023 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51023 1 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 51023 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance III HD 950MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 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 51023 _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 HMQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51023 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 51023 _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 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 51023 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 51023 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 51023 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'FLN5 A3A3 283K' _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 HMQC' . . . 51023 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 . . 51023 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 9 9 SER H H 1 8.413 . . . . . . . . 645 S H . 51023 1 2 . 1 . 1 9 9 SER N N 15 115.615 . . . . . . . . 645 S N . 51023 1 3 . 1 . 1 10 10 LYS H H 1 8.357 . . . . . . . . 646 K H . 51023 1 4 . 1 . 1 10 10 LYS N N 15 124.446 . . . . . . . . 646 K N . 51023 1 5 . 1 . 1 12 12 ALA H H 1 8.558 . . . . . . . . 648 A H . 51023 1 6 . 1 . 1 12 12 ALA N N 15 126.155 . . . . . . . . 648 A N . 51023 1 7 . 1 . 1 14 14 SER H H 1 8.473 . . . . . . . . 650 S H . 51023 1 8 . 1 . 1 14 14 SER N N 15 116.277 . . . . . . . . 650 S N . 51023 1 9 . 1 . 1 15 15 ALA H H 1 8.547 . . . . . . . . 651 A H . 51023 1 10 . 1 . 1 15 15 ALA N N 15 126.231 . . . . . . . . 651 A N . 51023 1 11 . 1 . 1 16 16 GLU H H 1 8.421 . . . . . . . . 652 E H . 51023 1 12 . 1 . 1 16 16 GLU N N 15 119.762 . . . . . . . . 652 E N . 51023 1 13 . 1 . 1 17 17 HIS H H 1 8.230 . . . . . . . . 653 H H . 51023 1 14 . 1 . 1 17 17 HIS N N 15 120.412 . . . . . . . . 653 H N . 51023 1 15 . 1 . 1 18 18 SER H H 1 8.227 . . . . . . . . 654 S H . 51023 1 16 . 1 . 1 18 18 SER N N 15 117.308 . . . . . . . . 654 S N . 51023 1 17 . 1 . 1 19 19 TYR H H 1 8.344 . . . . . . . . 655 Y H . 51023 1 18 . 1 . 1 19 19 TYR N N 15 122.731 . . . . . . . . 655 Y N . 51023 1 19 . 1 . 1 20 20 ALA H H 1 8.334 . . . . . . . . 656 A H . 51023 1 20 . 1 . 1 20 20 ALA N N 15 125.948 . . . . . . . . 656 A N . 51023 1 21 . 1 . 1 21 21 GLU H H 1 8.407 . . . . . . . . 657 E H . 51023 1 22 . 1 . 1 21 21 GLU N N 15 120.426 . . . . . . . . 657 E N . 51023 1 23 . 1 . 1 22 22 GLY H H 1 8.515 . . . . . . . . 658 G H . 51023 1 24 . 1 . 1 22 22 GLY N N 15 110.525 . . . . . . . . 658 G N . 51023 1 25 . 1 . 1 23 23 GLU H H 1 8.330 . . . . . . . . 659 E H . 51023 1 26 . 1 . 1 23 23 GLU N N 15 120.973 . . . . . . . . 659 E N . 51023 1 27 . 1 . 1 24 24 GLY H H 1 8.528 . . . . . . . . 660 G H . 51023 1 28 . 1 . 1 24 24 GLY N N 15 109.722 . . . . . . . . 660 G N . 51023 1 29 . 1 . 1 25 25 ASN H H 1 8.039 . . . . . . . . 661 N H . 51023 1 30 . 1 . 1 25 25 ASN N N 15 121.549 . . . . . . . . 661 N N . 51023 1 31 . 1 . 1 26 26 VAL H H 1 8.205 . . . . . . . . 662 V H . 51023 1 32 . 1 . 1 26 26 VAL N N 15 122.349 . . . . . . . . 662 V N . 51023 1 33 . 1 . 1 27 27 LYS H H 1 8.532 . . . . . . . . 663 K H . 51023 1 34 . 1 . 1 27 27 LYS N N 15 127.050 . . . . . . . . 663 K N . 51023 1 35 . 1 . 1 28 28 VAL H H 1 8.384 . . . . . . . . 664 V H . 51023 1 36 . 1 . 1 28 28 VAL N N 15 123.424 . . . . . . . . 664 V N . 51023 1 37 . 1 . 1 29 29 ALA H H 1 8.536 . . . . . . . . 665 A H . 51023 1 38 . 1 . 1 29 29 ALA N N 15 128.468 . . . . . . . . 665 A N . 51023 1 39 . 1 . 1 30 30 ASP H H 1 8.413 . . . . . . . . 666 D H . 51023 1 40 . 1 . 1 30 30 ASP N N 15 120.589 . . . . . . . . 666 D N . 51023 1 41 . 1 . 1 31 31 ASN H H 1 8.416 . . . . . . . . 667 N H . 51023 1 42 . 1 . 1 31 31 ASN N N 15 119.017 . . . . . . . . 667 N N . 51023 1 43 . 1 . 1 32 32 ALA H H 1 8.285 . . . . . . . . 668 A H . 51023 1 44 . 1 . 1 32 32 ALA N N 15 125.649 . . . . . . . . 668 A N . 51023 1 45 . 1 . 1 34 34 ALA H H 1 8.539 . . . . . . . . 670 A H . 51023 1 46 . 1 . 1 34 34 ALA N N 15 124.872 . . . . . . . . 670 A N . 51023 1 47 . 1 . 1 35 35 GLU H H 1 8.511 . . . . . . . . 671 E H . 51023 1 48 . 1 . 1 35 35 GLU N N 15 120.565 . . . . . . . . 671 E N . 51023 1 49 . 1 . 1 36 36 ALA H H 1 8.462 . . . . . . . . 672 A H . 51023 1 50 . 1 . 1 36 36 ALA N N 15 125.525 . . . . . . . . 672 A N . 51023 1 51 . 1 . 1 37 37 THR H H 1 8.265 . . . . . . . . 673 T H . 51023 1 52 . 1 . 1 37 37 THR N N 15 114.854 . . . . . . . . 673 T N . 51023 1 53 . 1 . 1 38 38 ILE H H 1 8.282 . . . . . . . . 674 I H . 51023 1 54 . 1 . 1 38 38 ILE N N 15 124.404 . . . . . . . . 674 I N . 51023 1 55 . 1 . 1 39 39 ALA H H 1 8.474 . . . . . . . . 675 A H . 51023 1 56 . 1 . 1 39 39 ALA N N 15 129.138 . . . . . . . . 675 A N . 51023 1 57 . 1 . 1 40 40 ALA H H 1 8.389 . . . . . . . . 676 A H . 51023 1 58 . 1 . 1 40 40 ALA N N 15 124.468 . . . . . . . . 676 A N . 51023 1 59 . 1 . 1 41 41 VAL H H 1 8.237 . . . . . . . . 677 V H . 51023 1 60 . 1 . 1 41 41 VAL N N 15 119.664 . . . . . . . . 677 V N . 51023 1 61 . 1 . 1 42 42 ASP H H 1 8.538 . . . . . . . . 678 D H . 51023 1 62 . 1 . 1 42 42 ASP N N 15 124.508 . . . . . . . . 678 D N . 51023 1 63 . 1 . 1 43 43 THR H H 1 8.279 . . . . . . . . 679 T H . 51023 1 64 . 1 . 1 43 43 THR N N 15 115.504 . . . . . . . . 679 T N . 51023 1 65 . 1 . 1 44 44 LYS H H 1 8.444 . . . . . . . . 680 K H . 51023 1 66 . 1 . 1 44 44 LYS N N 15 123.378 . . . . . . . . 680 K N . 51023 1 67 . 1 . 1 45 45 GLY H H 1 8.438 . . . . . . . . 681 G H . 51023 1 68 . 1 . 1 45 45 GLY N N 15 109.812 . . . . . . . . 681 G N . 51023 1 69 . 1 . 1 46 46 VAL H H 1 8.048 . . . . . . . . 682 V H . 51023 1 70 . 1 . 1 46 46 VAL N N 15 119.869 . . . . . . . . 682 V N . 51023 1 71 . 1 . 1 47 47 ALA H H 1 8.521 . . . . . . . . 683 A H . 51023 1 72 . 1 . 1 47 47 ALA N N 15 128.526 . . . . . . . . 683 A N . 51023 1 73 . 1 . 1 48 48 ARG H H 1 8.538 . . . . . . . . 684 R H . 51023 1 74 . 1 . 1 48 48 ARG N N 15 121.482 . . . . . . . . 684 R N . 51023 1 75 . 1 . 1 49 49 THR H H 1 8.562 . . . . . . . . 685 T H . 51023 1 76 . 1 . 1 49 49 THR N N 15 115.198 . . . . . . . . 685 T N . 51023 1 77 . 1 . 1 50 50 ASP H H 1 8.441 . . . . . . . . 686 D H . 51023 1 78 . 1 . 1 50 50 ASP N N 15 122.379 . . . . . . . . 686 D N . 51023 1 79 . 1 . 1 51 51 GLY H H 1 8.465 . . . . . . . . 687 G H . 51023 1 80 . 1 . 1 51 51 GLY N N 15 109.497 . . . . . . . . 687 G N . 51023 1 81 . 1 . 1 52 52 GLY H H 1 8.297 . . . . . . . . 688 G H . 51023 1 82 . 1 . 1 52 52 GLY N N 15 108.711 . . . . . . . . 688 G N . 51023 1 83 . 1 . 1 53 53 ASP H H 1 8.424 . . . . . . . . 689 D H . 51023 1 84 . 1 . 1 53 53 ASP N N 15 121.830 . . . . . . . . 689 D N . 51023 1 85 . 1 . 1 55 55 PHE H H 1 8.358 . . . . . . . . 691 F H . 51023 1 86 . 1 . 1 55 55 PHE N N 15 119.505 . . . . . . . . 691 F N . 51023 1 87 . 1 . 1 56 56 GLU H H 1 8.045 . . . . . . . . 692 E H . 51023 1 88 . 1 . 1 56 56 GLU N N 15 122.583 . . . . . . . . 692 E N . 51023 1 89 . 1 . 1 57 57 VAL H H 1 8.245 . . . . . . . . 693 V H . 51023 1 90 . 1 . 1 57 57 VAL N N 15 122.504 . . . . . . . . 693 V N . 51023 1 91 . 1 . 1 58 58 ALA H H 1 8.479 . . . . . . . . 694 A H . 51023 1 92 . 1 . 1 58 58 ALA N N 15 128.485 . . . . . . . . 694 A N . 51023 1 93 . 1 . 1 59 59 ILE H H 1 8.287 . . . . . . . . 695 I H . 51023 1 94 . 1 . 1 59 59 ILE N N 15 120.803 . . . . . . . . 695 I N . 51023 1 95 . 1 . 1 60 60 ASN H H 1 8.569 . . . . . . . . 696 N H . 51023 1 96 . 1 . 1 60 60 ASN N N 15 122.343 . . . . . . . . 696 N N . 51023 1 97 . 1 . 1 61 61 GLY H H 1 8.313 . . . . . . . . 697 G H . 51023 1 98 . 1 . 1 61 61 GLY N N 15 109.561 . . . . . . . . 697 G N . 51023 1 99 . 1 . 1 63 63 ASP H H 1 8.499 . . . . . . . . 699 D H . 51023 1 100 . 1 . 1 63 63 ASP N N 15 119.729 . . . . . . . . 699 D N . 51023 1 101 . 1 . 1 64 64 GLY H H 1 8.261 . . . . . . . . 700 G H . 51023 1 102 . 1 . 1 64 64 GLY N N 15 108.923 . . . . . . . . 700 G N . 51023 1 103 . 1 . 1 65 65 LEU H H 1 8.062 . . . . . . . . 701 L H . 51023 1 104 . 1 . 1 65 65 LEU N N 15 121.822 . . . . . . . . 701 L N . 51023 1 105 . 1 . 1 66 66 VAL H H 1 8.324 . . . . . . . . 702 V H . 51023 1 106 . 1 . 1 66 66 VAL N N 15 123.425 . . . . . . . . 702 V N . 51023 1 107 . 1 . 1 67 67 VAL H H 1 8.423 . . . . . . . . 703 V H . 51023 1 108 . 1 . 1 67 67 VAL N N 15 125.730 . . . . . . . . 703 V N . 51023 1 109 . 1 . 1 68 68 ASP H H 1 8.511 . . . . . . . . 704 D H . 51023 1 110 . 1 . 1 68 68 ASP N N 15 125.210 . . . . . . . . 704 D N . 51023 1 111 . 1 . 1 69 69 ALA H H 1 8.368 . . . . . . . . 705 A H . 51023 1 112 . 1 . 1 69 69 ALA N N 15 125.550 . . . . . . . . 705 A N . 51023 1 113 . 1 . 1 70 70 LYS H H 1 8.433 . . . . . . . . 706 K H . 51023 1 114 . 1 . 1 70 70 LYS N N 15 120.948 . . . . . . . . 706 K N . 51023 1 115 . 1 . 1 71 71 VAL H H 1 8.322 . . . . . . . . 707 V H . 51023 1 116 . 1 . 1 71 71 VAL N N 15 122.363 . . . . . . . . 707 V N . 51023 1 117 . 1 . 1 72 72 THR H H 1 8.324 . . . . . . . . 708 T H . 51023 1 118 . 1 . 1 72 72 THR N N 15 118.144 . . . . . . . . 708 T N . 51023 1 119 . 1 . 1 73 73 ASP H H 1 8.416 . . . . . . . . 709 D H . 51023 1 120 . 1 . 1 73 73 ASP N N 15 123.269 . . . . . . . . 709 D N . 51023 1 121 . 1 . 1 74 74 ASN H H 1 8.526 . . . . . . . . 710 N H . 51023 1 122 . 1 . 1 74 74 ASN N N 15 119.643 . . . . . . . . 710 N N . 51023 1 123 . 1 . 1 75 75 ASN H H 1 8.625 . . . . . . . . 711 N H . 51023 1 124 . 1 . 1 75 75 ASN N N 15 119.731 . . . . . . . . 711 N N . 51023 1 125 . 1 . 1 76 76 ASP H H 1 8.405 . . . . . . . . 712 D H . 51023 1 126 . 1 . 1 76 76 ASP N N 15 120.774 . . . . . . . . 712 D N . 51023 1 127 . 1 . 1 77 77 GLY H H 1 8.506 . . . . . . . . 713 G H . 51023 1 128 . 1 . 1 77 77 GLY N N 15 109.509 . . . . . . . . 713 G N . 51023 1 129 . 1 . 1 78 78 THR H H 1 8.192 . . . . . . . . 714 T H . 51023 1 130 . 1 . 1 78 78 THR N N 15 113.700 . . . . . . . . 714 T N . 51023 1 131 . 1 . 1 79 79 ALA H H 1 8.438 . . . . . . . . 715 A H . 51023 1 132 . 1 . 1 79 79 ALA N N 15 126.524 . . . . . . . . 715 A N . 51023 1 133 . 1 . 1 80 80 GLY H H 1 8.413 . . . . . . . . 716 G H . 51023 1 134 . 1 . 1 80 80 GLY N N 15 108.474 . . . . . . . . 716 G N . 51023 1 135 . 1 . 1 81 81 VAL H H 1 8.061 . . . . . . . . 717 V H . 51023 1 136 . 1 . 1 81 81 VAL N N 15 120.322 . . . . . . . . 717 V N . 51023 1 137 . 1 . 1 82 82 VAL H H 1 8.449 . . . . . . . . 718 V H . 51023 1 138 . 1 . 1 82 82 VAL N N 15 126.139 . . . . . . . . 718 V N . 51023 1 139 . 1 . 1 83 83 ALA H H 1 8.568 . . . . . . . . 719 A H . 51023 1 140 . 1 . 1 83 83 ALA N N 15 129.258 . . . . . . . . 719 A N . 51023 1 141 . 1 . 1 84 84 ASP H H 1 8.396 . . . . . . . . 720 D H . 51023 1 142 . 1 . 1 84 84 ASP N N 15 120.355 . . . . . . . . 720 D N . 51023 1 143 . 1 . 1 85 85 ALA H H 1 8.231 . . . . . . . . 721 A H . 51023 1 144 . 1 . 1 85 85 ALA N N 15 125.542 . . . . . . . . 721 A N . 51023 1 145 . 1 . 1 87 87 VAL H H 1 8.441 . . . . . . . . 723 V H . 51023 1 146 . 1 . 1 87 87 VAL N N 15 121.431 . . . . . . . . 723 V N . 51023 1 147 . 1 . 1 88 88 GLU H H 1 8.677 . . . . . . . . 724 E H . 51023 1 148 . 1 . 1 88 88 GLU N N 15 125.361 . . . . . . . . 724 E N . 51023 1 149 . 1 . 1 89 89 GLY H H 1 8.568 . . . . . . . . 725 G H . 51023 1 150 . 1 . 1 89 89 GLY N N 15 110.708 . . . . . . . . 725 G N . 51023 1 151 . 1 . 1 91 91 ALA H H 1 8.452 . . . . . . . . 727 A H . 51023 1 152 . 1 . 1 91 91 ALA N N 15 124.538 . . . . . . . . 727 A N . 51023 1 153 . 1 . 1 92 92 ASN H H 1 8.490 . . . . . . . . 728 N H . 51023 1 154 . 1 . 1 92 92 ASN N N 15 117.691 . . . . . . . . 728 N N . 51023 1 155 . 1 . 1 93 93 VAL H H 1 8.055 . . . . . . . . 729 V H . 51023 1 156 . 1 . 1 93 93 VAL N N 15 119.997 . . . . . . . . 729 V N . 51023 1 157 . 1 . 1 94 94 ASN H H 1 8.588 . . . . . . . . 730 N H . 51023 1 158 . 1 . 1 94 94 ASN N N 15 122.309 . . . . . . . . 730 N N . 51023 1 159 . 1 . 1 95 95 VAL H H 1 8.217 . . . . . . . . 731 V H . 51023 1 160 . 1 . 1 95 95 VAL N N 15 120.877 . . . . . . . . 731 V N . 51023 1 161 . 1 . 1 96 96 THR H H 1 8.329 . . . . . . . . 732 T H . 51023 1 162 . 1 . 1 96 96 THR N N 15 118.109 . . . . . . . . 732 T N . 51023 1 163 . 1 . 1 97 97 LEU H H 1 8.292 . . . . . . . . 733 L H . 51023 1 164 . 1 . 1 97 97 LEU N N 15 124.859 . . . . . . . . 733 L N . 51023 1 165 . 1 . 1 98 98 ARG H H 1 8.360 . . . . . . . . 734 R H . 51023 1 166 . 1 . 1 98 98 ARG N N 15 121.943 . . . . . . . . 734 R N . 51023 1 167 . 1 . 1 99 99 GLY H H 1 8.406 . . . . . . . . 735 G H . 51023 1 168 . 1 . 1 99 99 GLY N N 15 109.634 . . . . . . . . 735 G N . 51023 1 169 . 1 . 1 102 102 ILE H H 1 8.285 . . . . . . . . 738 I H . 51023 1 170 . 1 . 1 102 102 ILE N N 15 121.488 . . . . . . . . 738 I N . 51023 1 171 . 1 . 1 103 103 LYS H H 1 8.408 . . . . . . . . 739 K H . 51023 1 172 . 1 . 1 103 103 LYS N N 15 125.802 . . . . . . . . 739 K N . 51023 1 173 . 1 . 1 104 104 ASN H H 1 8.535 . . . . . . . . 740 N H . 51023 1 174 . 1 . 1 104 104 ASN N N 15 120.351 . . . . . . . . 740 N N . 51023 1 175 . 1 . 1 105 105 MET H H 1 8.396 . . . . . . . . 741 M H . 51023 1 176 . 1 . 1 105 105 MET N N 15 122.372 . . . . . . . . 741 M N . 51023 1 177 . 1 . 1 107 107 ILE H H 1 8.343 . . . . . . . . 743 I H . 51023 1 178 . 1 . 1 107 107 ILE N N 15 120.905 . . . . . . . . 743 I N . 51023 1 179 . 1 . 1 108 108 ASP H H 1 8.499 . . . . . . . . 744 D H . 51023 1 180 . 1 . 1 108 108 ASP N N 15 125.205 . . . . . . . . 744 D N . 51023 1 181 . 1 . 1 109 109 VAL H H 1 8.180 . . . . . . . . 745 V H . 51023 1 182 . 1 . 1 109 109 VAL N N 15 121.482 . . . . . . . . 745 V N . 51023 1 183 . 1 . 1 110 110 LYS H H 1 8.485 . . . . . . . . 746 K H . 51023 1 184 . 1 . 1 110 110 LYS N N 15 124.770 . . . . . . . . 746 K N . 51023 1 185 . 1 . 1 111 111 CYS H H 1 8.470 . . . . . . . . 747 C H . 51023 1 186 . 1 . 1 111 111 CYS N N 15 121.593 . . . . . . . . 747 C N . 51023 1 187 . 1 . 1 112 112 ILE H H 1 8.360 . . . . . . . . 748 I H . 51023 1 188 . 1 . 1 112 112 ILE N N 15 123.973 . . . . . . . . 748 I N . 51023 1 189 . 1 . 1 113 113 GLU H H 1 8.583 . . . . . . . . 749 E H . 51023 1 190 . 1 . 1 113 113 GLU N N 15 125.737 . . . . . . . . 749 E N . 51023 1 191 . 1 . 1 114 114 GLY H H 1 8.099 . . . . . . . . 750 G H . 51023 1 192 . 1 . 1 114 114 GLY N N 15 116.750 . . . . . . . . 750 G N . 51023 1 stop_ save_