data_51028 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51028 _Entry.Title ; FLN5 A3A3E6 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-07-23 _Entry.Accession_date 2021-07-23 _Entry.Last_release_date 2021-07-26 _Entry.Original_release_date 2021-07-26 _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 A3A3E6 (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 51028 2 Tomasz Wlodarski . . . . 51028 3 Sammy Chan . H.S. . . 51028 4 Lauren Woodburn . F. . . 51028 5 Ivana 'Vujkovic Bukvin' . . . . 51028 6 Julian Streit . O. . . 51028 7 Lisa Cabrita . D. . . 51028 8 Christopher Waudby . A. . 0000-0001-7810-3753 51028 9 John Christodoulou . . . 0000-0002-6710-3843 51028 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51028 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 97 51028 '1H chemical shifts' 97 51028 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 2021-07-23 update BMRB 'update entry citation' 51028 1 . . 2021-08-23 2021-07-23 original author 'original release' 51028 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51023 'FLN5 A3A3' 51028 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51028 _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. . . 51028 1 2 Tomasz Wlodarski . . . . 51028 1 3 Sammy Chan . H.S. . . 51028 1 4 Lauren Woodburn . F. . . 51028 1 5 Ivana 'Vujkovic Bukvin' . . . . 51028 1 6 Julian Streit . O. . . 51028 1 7 Lisa Cabrita . D. . . 51028 1 8 Christopher Waudby . A. . . 51028 1 9 John Christodoulou . . . . 51028 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51028 _Assembly.ID 1 _Assembly.Name 'FLN5 A3A3E6' _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 A3A3E6' 1 $entity_1 . . yes unfolded no no . . . 51028 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51028 _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 ; HHHHHHASKPAPSAEHSYAE GEGNVKVADNAPAEATIAAV DTKGVARTDGGDPFEVAING PDGLVVDAKVTDNNDGTAGV VADAPVEGNANVEVTLEGEP IENMPIEVECIEG ; _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 113 _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 . HIS . 51028 1 2 . HIS . 51028 1 3 . HIS . 51028 1 4 . HIS . 51028 1 5 . HIS . 51028 1 6 . HIS . 51028 1 7 . ALA . 51028 1 8 645 SER . 51028 1 9 646 LYS . 51028 1 10 647 PRO . 51028 1 11 648 ALA . 51028 1 12 649 PRO . 51028 1 13 650 SER . 51028 1 14 651 ALA . 51028 1 15 652 GLU . 51028 1 16 653 HIS . 51028 1 17 654 SER . 51028 1 18 655 TYR . 51028 1 19 656 ALA . 51028 1 20 657 GLU . 51028 1 21 658 GLY . 51028 1 22 659 GLU . 51028 1 23 660 GLY . 51028 1 24 661 ASN . 51028 1 25 662 VAL . 51028 1 26 663 LYS . 51028 1 27 664 VAL . 51028 1 28 665 ALA . 51028 1 29 666 ASP . 51028 1 30 667 ASN . 51028 1 31 668 ALA . 51028 1 32 669 PRO . 51028 1 33 670 ALA . 51028 1 34 671 GLU . 51028 1 35 672 ALA . 51028 1 36 673 THR . 51028 1 37 674 ILE . 51028 1 38 675 ALA . 51028 1 39 676 ALA . 51028 1 40 677 VAL . 51028 1 41 678 ASP . 51028 1 42 679 THR . 51028 1 43 680 LYS . 51028 1 44 681 GLY . 51028 1 45 682 VAL . 51028 1 46 683 ALA . 51028 1 47 684 ARG . 51028 1 48 685 THR . 51028 1 49 686 ASP . 51028 1 50 687 GLY . 51028 1 51 688 GLY . 51028 1 52 689 ASP . 51028 1 53 690 PRO . 51028 1 54 691 PHE . 51028 1 55 692 GLU . 51028 1 56 693 VAL . 51028 1 57 694 ALA . 51028 1 58 695 ILE . 51028 1 59 696 ASN . 51028 1 60 697 GLY . 51028 1 61 698 PRO . 51028 1 62 699 ASP . 51028 1 63 700 GLY . 51028 1 64 701 LEU . 51028 1 65 702 VAL . 51028 1 66 703 VAL . 51028 1 67 704 ASP . 51028 1 68 705 ALA . 51028 1 69 706 LYS . 51028 1 70 707 VAL . 51028 1 71 708 THR . 51028 1 72 709 ASP . 51028 1 73 710 ASN . 51028 1 74 711 ASN . 51028 1 75 712 ASP . 51028 1 76 713 GLY . 51028 1 77 714 THR . 51028 1 78 715 ALA . 51028 1 79 716 GLY . 51028 1 80 717 VAL . 51028 1 81 718 VAL . 51028 1 82 719 ALA . 51028 1 83 720 ASP . 51028 1 84 721 ALA . 51028 1 85 722 PRO . 51028 1 86 723 VAL . 51028 1 87 724 GLU . 51028 1 88 725 GLY . 51028 1 89 726 ASN . 51028 1 90 727 ALA . 51028 1 91 728 ASN . 51028 1 92 729 VAL . 51028 1 93 730 GLU . 51028 1 94 731 VAL . 51028 1 95 732 THR . 51028 1 96 733 LEU . 51028 1 97 734 GLU . 51028 1 98 735 GLY . 51028 1 99 736 GLU . 51028 1 100 737 PRO . 51028 1 101 738 ILE . 51028 1 102 739 GLU . 51028 1 103 740 ASN . 51028 1 104 741 MET . 51028 1 105 742 PRO . 51028 1 106 743 ILE . 51028 1 107 744 GLU . 51028 1 108 745 VAL . 51028 1 109 746 GLU . 51028 1 110 747 CYS . 51028 1 111 748 ILE . 51028 1 112 749 GLU . 51028 1 113 750 GLY . 51028 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 . HIS 1 1 51028 1 . HIS 2 2 51028 1 . HIS 3 3 51028 1 . HIS 4 4 51028 1 . HIS 5 5 51028 1 . HIS 6 6 51028 1 . ALA 7 7 51028 1 . SER 8 8 51028 1 . LYS 9 9 51028 1 . PRO 10 10 51028 1 . ALA 11 11 51028 1 . PRO 12 12 51028 1 . SER 13 13 51028 1 . ALA 14 14 51028 1 . GLU 15 15 51028 1 . HIS 16 16 51028 1 . SER 17 17 51028 1 . TYR 18 18 51028 1 . ALA 19 19 51028 1 . GLU 20 20 51028 1 . GLY 21 21 51028 1 . GLU 22 22 51028 1 . GLY 23 23 51028 1 . ASN 24 24 51028 1 . VAL 25 25 51028 1 . LYS 26 26 51028 1 . VAL 27 27 51028 1 . ALA 28 28 51028 1 . ASP 29 29 51028 1 . ASN 30 30 51028 1 . ALA 31 31 51028 1 . PRO 32 32 51028 1 . ALA 33 33 51028 1 . GLU 34 34 51028 1 . ALA 35 35 51028 1 . THR 36 36 51028 1 . ILE 37 37 51028 1 . ALA 38 38 51028 1 . ALA 39 39 51028 1 . VAL 40 40 51028 1 . ASP 41 41 51028 1 . THR 42 42 51028 1 . LYS 43 43 51028 1 . GLY 44 44 51028 1 . VAL 45 45 51028 1 . ALA 46 46 51028 1 . ARG 47 47 51028 1 . THR 48 48 51028 1 . ASP 49 49 51028 1 . GLY 50 50 51028 1 . GLY 51 51 51028 1 . ASP 52 52 51028 1 . PRO 53 53 51028 1 . PHE 54 54 51028 1 . GLU 55 55 51028 1 . VAL 56 56 51028 1 . ALA 57 57 51028 1 . ILE 58 58 51028 1 . ASN 59 59 51028 1 . GLY 60 60 51028 1 . PRO 61 61 51028 1 . ASP 62 62 51028 1 . GLY 63 63 51028 1 . LEU 64 64 51028 1 . VAL 65 65 51028 1 . VAL 66 66 51028 1 . ASP 67 67 51028 1 . ALA 68 68 51028 1 . LYS 69 69 51028 1 . VAL 70 70 51028 1 . THR 71 71 51028 1 . ASP 72 72 51028 1 . ASN 73 73 51028 1 . ASN 74 74 51028 1 . ASP 75 75 51028 1 . GLY 76 76 51028 1 . THR 77 77 51028 1 . ALA 78 78 51028 1 . GLY 79 79 51028 1 . VAL 80 80 51028 1 . VAL 81 81 51028 1 . ALA 82 82 51028 1 . ASP 83 83 51028 1 . ALA 84 84 51028 1 . PRO 85 85 51028 1 . VAL 86 86 51028 1 . GLU 87 87 51028 1 . GLY 88 88 51028 1 . ASN 89 89 51028 1 . ALA 90 90 51028 1 . ASN 91 91 51028 1 . VAL 92 92 51028 1 . GLU 93 93 51028 1 . VAL 94 94 51028 1 . THR 95 95 51028 1 . LEU 96 96 51028 1 . GLU 97 97 51028 1 . GLY 98 98 51028 1 . GLU 99 99 51028 1 . PRO 100 100 51028 1 . ILE 101 101 51028 1 . GLU 102 102 51028 1 . ASN 103 103 51028 1 . MET 104 104 51028 1 . PRO 105 105 51028 1 . ILE 106 106 51028 1 . GLU 107 107 51028 1 . VAL 108 108 51028 1 . GLU 109 109 51028 1 . CYS 110 110 51028 1 . ILE 111 111 51028 1 . GLU 112 112 51028 1 . GLY 113 113 51028 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 51028 _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 . . . . . . . . . . . . . 51028 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 51028 _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 . . . 51028 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51028 _Sample.ID 1 _Sample.Name 'FLN5 A3A3E6' _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 A3A3E6' '[U-100% 15N]' . . 1 $entity_1 . . 150 . . uM . . . . 51028 1 2 HEPES 'natural abundance' . . . . . . 10 . . mM . . . . 51028 1 3 NH4Cl 'natural abundance' . . . . . . 30 . . mM . . . . 51028 1 4 MgCl2 'natural abundance' . . . . . . 12 . . mM . . . . 51028 1 5 EDTA 'natural abundance' . . . . . . 5 . . mM . . . . 51028 1 6 DSS 'natural abundance' . . . . . . 0.001 . . % . . . . 51028 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 51028 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 51028 _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 51028 1 pressure 1 . atm 51028 1 temperature 283 . K 51028 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51028 _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' . 51028 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 51028 _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 51028 _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 . . . . . . . . . . . . . . . . . 51028 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 51028 _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 . . . . . 51028 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 51028 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 51028 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'FLN5 A3A3E6 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' . . . 51028 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 . . 51028 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 8 8 SER H H 1 8.417 . . . . . . . . 645 S H . 51028 1 2 . 1 . 1 8 8 SER N N 15 115.637 . . . . . . . . 645 S N . 51028 1 3 . 1 . 1 9 9 LYS H H 1 8.360 . . . . . . . . 646 K H . 51028 1 4 . 1 . 1 9 9 LYS N N 15 124.465 . . . . . . . . 646 K N . 51028 1 5 . 1 . 1 11 11 ALA H H 1 8.556 . . . . . . . . 648 A H . 51028 1 6 . 1 . 1 11 11 ALA N N 15 126.174 . . . . . . . . 648 A N . 51028 1 7 . 1 . 1 13 13 SER H H 1 8.476 . . . . . . . . 650 S H . 51028 1 8 . 1 . 1 13 13 SER N N 15 116.284 . . . . . . . . 650 S N . 51028 1 9 . 1 . 1 14 14 ALA H H 1 8.538 . . . . . . . . 651 A H . 51028 1 10 . 1 . 1 14 14 ALA N N 15 126.270 . . . . . . . . 651 A N . 51028 1 11 . 1 . 1 15 15 GLU H H 1 8.421 . . . . . . . . 652 E H . 51028 1 12 . 1 . 1 15 15 GLU N N 15 119.759 . . . . . . . . 652 E N . 51028 1 13 . 1 . 1 16 16 HIS H H 1 8.245 . . . . . . . . 653 H H . 51028 1 14 . 1 . 1 16 16 HIS N N 15 120.375 . . . . . . . . 653 H N . 51028 1 15 . 1 . 1 17 17 SER H H 1 8.236 . . . . . . . . 654 S H . 51028 1 16 . 1 . 1 17 17 SER N N 15 117.324 . . . . . . . . 654 S N . 51028 1 17 . 1 . 1 18 18 TYR H H 1 8.349 . . . . . . . . 655 Y H . 51028 1 18 . 1 . 1 18 18 TYR N N 15 122.702 . . . . . . . . 655 Y N . 51028 1 19 . 1 . 1 19 19 ALA H H 1 8.335 . . . . . . . . 656 A H . 51028 1 20 . 1 . 1 19 19 ALA N N 15 125.940 . . . . . . . . 656 A N . 51028 1 21 . 1 . 1 20 20 GLU H H 1 8.412 . . . . . . . . 657 E H . 51028 1 22 . 1 . 1 20 20 GLU N N 15 120.421 . . . . . . . . 657 E N . 51028 1 23 . 1 . 1 21 21 GLY H H 1 8.515 . . . . . . . . 658 G H . 51028 1 24 . 1 . 1 21 21 GLY N N 15 110.521 . . . . . . . . 658 G N . 51028 1 25 . 1 . 1 22 22 GLU H H 1 8.341 . . . . . . . . 659 E H . 51028 1 26 . 1 . 1 22 22 GLU N N 15 120.926 . . . . . . . . 659 E N . 51028 1 27 . 1 . 1 23 23 GLY H H 1 8.530 . . . . . . . . 660 G H . 51028 1 28 . 1 . 1 23 23 GLY N N 15 109.743 . . . . . . . . 660 G N . 51028 1 29 . 1 . 1 24 24 ASN H H 1 8.042 . . . . . . . . 661 N H . 51028 1 30 . 1 . 1 24 24 ASN N N 15 121.555 . . . . . . . . 661 N N . 51028 1 31 . 1 . 1 25 25 VAL H H 1 8.206 . . . . . . . . 662 V H . 51028 1 32 . 1 . 1 25 25 VAL N N 15 122.332 . . . . . . . . 662 V N . 51028 1 33 . 1 . 1 26 26 LYS H H 1 8.532 . . . . . . . . 663 K H . 51028 1 34 . 1 . 1 26 26 LYS N N 15 127.045 . . . . . . . . 663 K N . 51028 1 35 . 1 . 1 27 27 VAL H H 1 8.385 . . . . . . . . 664 V H . 51028 1 36 . 1 . 1 27 27 VAL N N 15 123.411 . . . . . . . . 664 V N . 51028 1 37 . 1 . 1 28 28 ALA H H 1 8.541 . . . . . . . . 665 A H . 51028 1 38 . 1 . 1 28 28 ALA N N 15 128.448 . . . . . . . . 665 A N . 51028 1 39 . 1 . 1 29 29 ASP H H 1 8.412 . . . . . . . . 666 D H . 51028 1 40 . 1 . 1 29 29 ASP N N 15 120.584 . . . . . . . . 666 D N . 51028 1 41 . 1 . 1 30 30 ASN H H 1 8.424 . . . . . . . . 667 N H . 51028 1 42 . 1 . 1 30 30 ASN N N 15 119.044 . . . . . . . . 667 N N . 51028 1 43 . 1 . 1 31 31 ALA H H 1 8.284 . . . . . . . . 668 A H . 51028 1 44 . 1 . 1 31 31 ALA N N 15 125.652 . . . . . . . . 668 A N . 51028 1 45 . 1 . 1 33 33 ALA H H 1 8.540 . . . . . . . . 670 A H . 51028 1 46 . 1 . 1 33 33 ALA N N 15 124.878 . . . . . . . . 670 A N . 51028 1 47 . 1 . 1 34 34 GLU H H 1 8.512 . . . . . . . . 671 E H . 51028 1 48 . 1 . 1 34 34 GLU N N 15 120.566 . . . . . . . . 671 E N . 51028 1 49 . 1 . 1 35 35 ALA H H 1 8.462 . . . . . . . . 672 A H . 51028 1 50 . 1 . 1 35 35 ALA N N 15 125.506 . . . . . . . . 672 A N . 51028 1 51 . 1 . 1 36 36 THR H H 1 8.266 . . . . . . . . 673 T H . 51028 1 52 . 1 . 1 36 36 THR N N 15 114.860 . . . . . . . . 673 T N . 51028 1 53 . 1 . 1 37 37 ILE H H 1 8.282 . . . . . . . . 674 I H . 51028 1 54 . 1 . 1 37 37 ILE N N 15 124.385 . . . . . . . . 674 I N . 51028 1 55 . 1 . 1 38 38 ALA H H 1 8.474 . . . . . . . . 675 A H . 51028 1 56 . 1 . 1 38 38 ALA N N 15 129.114 . . . . . . . . 675 A N . 51028 1 57 . 1 . 1 39 39 ALA H H 1 8.390 . . . . . . . . 676 A H . 51028 1 58 . 1 . 1 39 39 ALA N N 15 124.460 . . . . . . . . 676 A N . 51028 1 59 . 1 . 1 40 40 VAL H H 1 8.236 . . . . . . . . 677 V H . 51028 1 60 . 1 . 1 40 40 VAL N N 15 119.651 . . . . . . . . 677 V N . 51028 1 61 . 1 . 1 41 41 ASP H H 1 8.539 . . . . . . . . 678 D H . 51028 1 62 . 1 . 1 41 41 ASP N N 15 124.492 . . . . . . . . 678 D N . 51028 1 63 . 1 . 1 42 42 THR H H 1 8.279 . . . . . . . . 679 T H . 51028 1 64 . 1 . 1 42 42 THR N N 15 115.509 . . . . . . . . 679 T N . 51028 1 65 . 1 . 1 43 43 LYS H H 1 8.446 . . . . . . . . 680 K H . 51028 1 66 . 1 . 1 43 43 LYS N N 15 123.360 . . . . . . . . 680 K N . 51028 1 67 . 1 . 1 44 44 GLY H H 1 8.438 . . . . . . . . 681 G H . 51028 1 68 . 1 . 1 44 44 GLY N N 15 109.865 . . . . . . . . 681 G N . 51028 1 69 . 1 . 1 45 45 VAL H H 1 8.050 . . . . . . . . 682 V H . 51028 1 70 . 1 . 1 45 45 VAL N N 15 119.896 . . . . . . . . 682 V N . 51028 1 71 . 1 . 1 46 46 ALA H H 1 8.522 . . . . . . . . 683 A H . 51028 1 72 . 1 . 1 46 46 ALA N N 15 128.508 . . . . . . . . 683 A N . 51028 1 73 . 1 . 1 47 47 ARG H H 1 8.538 . . . . . . . . 684 R H . 51028 1 74 . 1 . 1 47 47 ARG N N 15 121.476 . . . . . . . . 684 R N . 51028 1 75 . 1 . 1 48 48 THR H H 1 8.560 . . . . . . . . 685 T H . 51028 1 76 . 1 . 1 48 48 THR N N 15 115.207 . . . . . . . . 685 T N . 51028 1 77 . 1 . 1 49 49 ASP H H 1 8.443 . . . . . . . . 686 D H . 51028 1 78 . 1 . 1 49 49 ASP N N 15 122.391 . . . . . . . . 686 D N . 51028 1 79 . 1 . 1 50 50 GLY H H 1 8.468 . . . . . . . . 687 G H . 51028 1 80 . 1 . 1 50 50 GLY N N 15 109.534 . . . . . . . . 687 G N . 51028 1 81 . 1 . 1 51 51 GLY H H 1 8.300 . . . . . . . . 688 G H . 51028 1 82 . 1 . 1 51 51 GLY N N 15 108.725 . . . . . . . . 688 G N . 51028 1 83 . 1 . 1 52 52 ASP H H 1 8.424 . . . . . . . . 689 D H . 51028 1 84 . 1 . 1 52 52 ASP N N 15 121.837 . . . . . . . . 689 D N . 51028 1 85 . 1 . 1 54 54 PHE H H 1 8.359 . . . . . . . . 691 F H . 51028 1 86 . 1 . 1 54 54 PHE N N 15 119.514 . . . . . . . . 691 F N . 51028 1 87 . 1 . 1 55 55 GLU H H 1 8.047 . . . . . . . . 692 E H . 51028 1 88 . 1 . 1 55 55 GLU N N 15 122.591 . . . . . . . . 692 E N . 51028 1 89 . 1 . 1 56 56 VAL H H 1 8.244 . . . . . . . . 693 V H . 51028 1 90 . 1 . 1 56 56 VAL N N 15 122.493 . . . . . . . . 693 V N . 51028 1 91 . 1 . 1 57 57 ALA H H 1 8.480 . . . . . . . . 694 A H . 51028 1 92 . 1 . 1 57 57 ALA N N 15 128.480 . . . . . . . . 694 A N . 51028 1 93 . 1 . 1 58 58 ILE H H 1 8.287 . . . . . . . . 695 I H . 51028 1 94 . 1 . 1 58 58 ILE N N 15 120.779 . . . . . . . . 695 I N . 51028 1 95 . 1 . 1 59 59 ASN H H 1 8.566 . . . . . . . . 696 N H . 51028 1 96 . 1 . 1 59 59 ASN N N 15 122.358 . . . . . . . . 696 N N . 51028 1 97 . 1 . 1 60 60 GLY H H 1 8.312 . . . . . . . . 697 G H . 51028 1 98 . 1 . 1 60 60 GLY N N 15 109.578 . . . . . . . . 697 G N . 51028 1 99 . 1 . 1 62 62 ASP H H 1 8.497 . . . . . . . . 699 D H . 51028 1 100 . 1 . 1 62 62 ASP N N 15 119.698 . . . . . . . . 699 D N . 51028 1 101 . 1 . 1 63 63 GLY H H 1 8.263 . . . . . . . . 700 G H . 51028 1 102 . 1 . 1 63 63 GLY N N 15 108.939 . . . . . . . . 700 G N . 51028 1 103 . 1 . 1 64 64 LEU H H 1 8.064 . . . . . . . . 701 L H . 51028 1 104 . 1 . 1 64 64 LEU N N 15 121.823 . . . . . . . . 701 L N . 51028 1 105 . 1 . 1 65 65 VAL H H 1 8.325 . . . . . . . . 702 V H . 51028 1 106 . 1 . 1 65 65 VAL N N 15 123.439 . . . . . . . . 702 V N . 51028 1 107 . 1 . 1 66 66 VAL H H 1 8.422 . . . . . . . . 703 V H . 51028 1 108 . 1 . 1 66 66 VAL N N 15 125.753 . . . . . . . . 703 V N . 51028 1 109 . 1 . 1 67 67 ASP H H 1 8.510 . . . . . . . . 704 D H . 51028 1 110 . 1 . 1 67 67 ASP N N 15 125.205 . . . . . . . . 704 D N . 51028 1 111 . 1 . 1 68 68 ALA H H 1 8.369 . . . . . . . . 705 A H . 51028 1 112 . 1 . 1 68 68 ALA N N 15 125.550 . . . . . . . . 705 A N . 51028 1 113 . 1 . 1 69 69 LYS H H 1 8.434 . . . . . . . . 706 K H . 51028 1 114 . 1 . 1 69 69 LYS N N 15 120.945 . . . . . . . . 706 K N . 51028 1 115 . 1 . 1 70 70 VAL H H 1 8.324 . . . . . . . . 707 V H . 51028 1 116 . 1 . 1 70 70 VAL N N 15 122.381 . . . . . . . . 707 V N . 51028 1 117 . 1 . 1 71 71 THR H H 1 8.326 . . . . . . . . 708 T H . 51028 1 118 . 1 . 1 71 71 THR N N 15 118.212 . . . . . . . . 708 T N . 51028 1 119 . 1 . 1 72 72 ASP H H 1 8.417 . . . . . . . . 709 D H . 51028 1 120 . 1 . 1 72 72 ASP N N 15 123.286 . . . . . . . . 709 D N . 51028 1 121 . 1 . 1 73 73 ASN H H 1 8.527 . . . . . . . . 710 N H . 51028 1 122 . 1 . 1 73 73 ASN N N 15 119.666 . . . . . . . . 710 N N . 51028 1 123 . 1 . 1 74 74 ASN H H 1 8.621 . . . . . . . . 711 N H . 51028 1 124 . 1 . 1 74 74 ASN N N 15 119.744 . . . . . . . . 711 N N . 51028 1 125 . 1 . 1 75 75 ASP H H 1 8.408 . . . . . . . . 712 D H . 51028 1 126 . 1 . 1 75 75 ASP N N 15 120.780 . . . . . . . . 712 D N . 51028 1 127 . 1 . 1 76 76 GLY H H 1 8.506 . . . . . . . . 713 G H . 51028 1 128 . 1 . 1 76 76 GLY N N 15 109.538 . . . . . . . . 713 G N . 51028 1 129 . 1 . 1 77 77 THR H H 1 8.194 . . . . . . . . 714 T H . 51028 1 130 . 1 . 1 77 77 THR N N 15 113.729 . . . . . . . . 714 T N . 51028 1 131 . 1 . 1 78 78 ALA H H 1 8.440 . . . . . . . . 715 A H . 51028 1 132 . 1 . 1 78 78 ALA N N 15 126.564 . . . . . . . . 715 A N . 51028 1 133 . 1 . 1 79 79 GLY H H 1 8.416 . . . . . . . . 716 G H . 51028 1 134 . 1 . 1 79 79 GLY N N 15 108.504 . . . . . . . . 716 G N . 51028 1 135 . 1 . 1 80 80 VAL H H 1 8.066 . . . . . . . . 717 V H . 51028 1 136 . 1 . 1 80 80 VAL N N 15 120.376 . . . . . . . . 717 V N . 51028 1 137 . 1 . 1 81 81 VAL H H 1 8.453 . . . . . . . . 718 V H . 51028 1 138 . 1 . 1 81 81 VAL N N 15 126.190 . . . . . . . . 718 V N . 51028 1 139 . 1 . 1 82 82 ALA H H 1 8.572 . . . . . . . . 719 A H . 51028 1 140 . 1 . 1 82 82 ALA N N 15 129.328 . . . . . . . . 719 A N . 51028 1 141 . 1 . 1 83 83 ASP H H 1 8.396 . . . . . . . . 720 D H . 51028 1 142 . 1 . 1 83 83 ASP N N 15 120.482 . . . . . . . . 720 D N . 51028 1 143 . 1 . 1 84 84 ALA H H 1 8.251 . . . . . . . . 721 A H . 51028 1 144 . 1 . 1 84 84 ALA N N 15 125.621 . . . . . . . . 721 A N . 51028 1 145 . 1 . 1 86 86 VAL H H 1 8.446 . . . . . . . . 723 V H . 51028 1 146 . 1 . 1 86 86 VAL N N 15 121.514 . . . . . . . . 723 V N . 51028 1 147 . 1 . 1 87 87 GLU H H 1 8.677 . . . . . . . . 724 E H . 51028 1 148 . 1 . 1 87 87 GLU N N 15 125.580 . . . . . . . . 724 E N . 51028 1 149 . 1 . 1 88 88 GLY H H 1 8.558 . . . . . . . . 725 G H . 51028 1 150 . 1 . 1 88 88 GLY N N 15 110.727 . . . . . . . . 725 G N . 51028 1 151 . 1 . 1 90 90 ALA H H 1 8.464 . . . . . . . . 727 A H . 51028 1 152 . 1 . 1 90 90 ALA N N 15 124.769 . . . . . . . . 727 A N . 51028 1 153 . 1 . 1 91 91 ASN H H 1 8.528 . . . . . . . . 728 N H . 51028 1 154 . 1 . 1 91 91 ASN N N 15 118.306 . . . . . . . . 728 N N . 51028 1 155 . 1 . 1 92 92 VAL H H 1 8.136 . . . . . . . . 729 V H . 51028 1 156 . 1 . 1 92 92 VAL N N 15 120.775 . . . . . . . . 729 V N . 51028 1 157 . 1 . 1 93 93 GLU H H 1 8.583 . . . . . . . . 730 E H . 51028 1 158 . 1 . 1 93 93 GLU N N 15 125.588 . . . . . . . . 730 E N . 51028 1 159 . 1 . 1 94 94 VAL H H 1 8.373 . . . . . . . . 731 V H . 51028 1 160 . 1 . 1 94 94 VAL N N 15 122.409 . . . . . . . . 731 V N . 51028 1 161 . 1 . 1 95 95 THR H H 1 8.486 . . . . . . . . 732 T H . 51028 1 162 . 1 . 1 95 95 THR N N 15 119.641 . . . . . . . . 732 T N . 51028 1 163 . 1 . 1 96 96 LEU H H 1 8.577 . . . . . . . . 733 L H . 51028 1 164 . 1 . 1 96 96 LEU N N 15 125.809 . . . . . . . . 733 L N . 51028 1 165 . 1 . 1 97 97 GLU H H 1 8.509 . . . . . . . . 734 E H . 51028 1 166 . 1 . 1 97 97 GLU N N 15 122.228 . . . . . . . . 734 E N . 51028 1 167 . 1 . 1 98 98 GLY H H 1 8.448 . . . . . . . . 735 G H . 51028 1 168 . 1 . 1 98 98 GLY N N 15 110.286 . . . . . . . . 735 G N . 51028 1 169 . 1 . 1 99 99 GLU H H 1 8.264 . . . . . . . . 736 E H . 51028 1 170 . 1 . 1 99 99 GLU N N 15 121.938 . . . . . . . . 736 E N . 51028 1 171 . 1 . 1 101 101 ILE H H 1 8.396 . . . . . . . . 738 I H . 51028 1 172 . 1 . 1 101 101 ILE N N 15 122.225 . . . . . . . . 738 I N . 51028 1 173 . 1 . 1 102 102 GLU H H 1 8.623 . . . . . . . . 739 E H . 51028 1 174 . 1 . 1 102 102 GLU N N 15 125.332 . . . . . . . . 739 E N . 51028 1 175 . 1 . 1 103 103 ASN H H 1 8.575 . . . . . . . . 740 N H . 51028 1 176 . 1 . 1 103 103 ASN N N 15 120.506 . . . . . . . . 740 N N . 51028 1 177 . 1 . 1 104 104 MET H H 1 8.421 . . . . . . . . 741 M H . 51028 1 178 . 1 . 1 104 104 MET N N 15 122.593 . . . . . . . . 741 M N . 51028 1 179 . 1 . 1 106 106 ILE H H 1 8.368 . . . . . . . . 743 I H . 51028 1 180 . 1 . 1 106 106 ILE N N 15 121.848 . . . . . . . . 743 I N . 51028 1 181 . 1 . 1 107 107 GLU H H 1 8.584 . . . . . . . . 744 E H . 51028 1 182 . 1 . 1 107 107 GLU N N 15 126.128 . . . . . . . . 744 E N . 51028 1 183 . 1 . 1 108 108 VAL H H 1 8.361 . . . . . . . . 745 V H . 51028 1 184 . 1 . 1 108 108 VAL N N 15 122.529 . . . . . . . . 745 V N . 51028 1 185 . 1 . 1 109 109 GLU H H 1 8.633 . . . . . . . . 746 E H . 51028 1 186 . 1 . 1 109 109 GLU N N 15 125.571 . . . . . . . . 746 E N . 51028 1 187 . 1 . 1 110 110 CYS H H 1 8.641 . . . . . . . . 747 C H . 51028 1 188 . 1 . 1 110 110 CYS N N 15 122.608 . . . . . . . . 747 C N . 51028 1 189 . 1 . 1 111 111 ILE H H 1 8.497 . . . . . . . . 748 I H . 51028 1 190 . 1 . 1 111 111 ILE N N 15 125.179 . . . . . . . . 748 I N . 51028 1 191 . 1 . 1 112 112 GLU H H 1 8.614 . . . . . . . . 749 E H . 51028 1 192 . 1 . 1 112 112 GLU N N 15 126.138 . . . . . . . . 749 E N . 51028 1 193 . 1 . 1 113 113 GLY H H 1 8.125 . . . . . . . . 750 G H . 51028 1 194 . 1 . 1 113 113 GLY N N 15 117.014 . . . . . . . . 750 G N . 51028 1 stop_ save_