data_26881 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26881 _Entry.Title ; Backbone 1H, 15N assignment for LC3B ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-08-26 _Entry.Accession_date 2016-08-26 _Entry.Last_release_date 2016-08-26 _Entry.Original_release_date 2016-08-26 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Luca Varani . . . . 26881 2 Luca Simonelli . . . . 26881 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Institute for Research in Biomedicine' . 26881 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26881 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 101 26881 '1H chemical shifts' 101 26881 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2017-02-16 . original BMRB . 26881 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26881 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27749824 _Citation.Full_citation . _Citation.Title ; Translocon component Sec62 acts in endoplasmic reticulum turnover during stress recovery ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Cell Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 18 _Citation.Journal_issue 11 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1476-4679 _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 1173 _Citation.Page_last 1184 _Citation.Year 2016 _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 Fiorenza Fumagalli F. . . . 26881 1 2 Julia Noack J. . . . 26881 1 3 Timothy Bergmann T. J. . . 26881 1 4 Eduardo Cebollero E. . . . 26881 1 5 'Giorgia Brambilla' Pisoni G. B. . . 26881 1 6 Elisa Fasana E. . . . 26881 1 7 Ilaria Fregno I. . . . 26881 1 8 Carmela Galli C. . . . 26881 1 9 Marisa Loi M. . . . 26881 1 10 Tatiana Solda T. . . . 26881 1 11 Rocco D'Antuono R. . . . 26881 1 12 Andrea Raimondi A. . . . 26881 1 13 Martin Jung M. . . . 26881 1 14 Armin Melnyk A. . . . 26881 1 15 Stefan Schorr S. . . . 26881 1 16 Anne Schreiber A. . . . 26881 1 17 Luca Simonelli L. . . . 26881 1 18 Luca Varani L. . . . 26881 1 19 Caroline Wilson-Zbinden C. . . . 26881 1 20 Oliver Zerbe O. . . . 26881 1 21 Kay Hofmann K. . . . 26881 1 22 Matthias Peter M. . . . 26881 1 23 Manfredo Quadroni M. . . . 26881 1 24 Richard Zimmermann R. . . . 26881 1 25 Maurizio Molinari M. . . . 26881 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26881 _Assembly.ID 1 _Assembly.Name 'LC3B monomer' _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 'LC3B monomer' 1 $Microtubule-associated_proteins_1A-1B_light_chain_3B A . yes native no no . . . 26881 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Microtubule-associated_proteins_1A-1B_light_chain_3B _Entity.Sf_category entity _Entity.Sf_framecode Microtubule-associated_proteins_1A-1B_light_chain_3B _Entity.Entry_ID 26881 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Microtubule-associated_proteins_1A/1B_light_chain_3B _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 ; MPSEKTFKQRRTFEQRVEDV RLIREQHPTKIPVIIERYKG EKQLPVLDKTKFLVPDHVNM SELIKIIRRRLQLNANQAFF LLVNGHSMVSVSTPISEVYE SEKDEDGFLYMVYASQETFG ; _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 120 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _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 1 MET . 26881 1 2 2 PRO . 26881 1 3 3 SER . 26881 1 4 4 GLU . 26881 1 5 5 LYS . 26881 1 6 6 THR . 26881 1 7 7 PHE . 26881 1 8 8 LYS . 26881 1 9 9 GLN . 26881 1 10 10 ARG . 26881 1 11 11 ARG . 26881 1 12 12 THR . 26881 1 13 13 PHE . 26881 1 14 14 GLU . 26881 1 15 15 GLN . 26881 1 16 16 ARG . 26881 1 17 17 VAL . 26881 1 18 18 GLU . 26881 1 19 19 ASP . 26881 1 20 20 VAL . 26881 1 21 21 ARG . 26881 1 22 22 LEU . 26881 1 23 23 ILE . 26881 1 24 24 ARG . 26881 1 25 25 GLU . 26881 1 26 26 GLN . 26881 1 27 27 HIS . 26881 1 28 28 PRO . 26881 1 29 29 THR . 26881 1 30 30 LYS . 26881 1 31 31 ILE . 26881 1 32 32 PRO . 26881 1 33 33 VAL . 26881 1 34 34 ILE . 26881 1 35 35 ILE . 26881 1 36 36 GLU . 26881 1 37 37 ARG . 26881 1 38 38 TYR . 26881 1 39 39 LYS . 26881 1 40 40 GLY . 26881 1 41 41 GLU . 26881 1 42 42 LYS . 26881 1 43 43 GLN . 26881 1 44 44 LEU . 26881 1 45 45 PRO . 26881 1 46 46 VAL . 26881 1 47 47 LEU . 26881 1 48 48 ASP . 26881 1 49 49 LYS . 26881 1 50 50 THR . 26881 1 51 51 LYS . 26881 1 52 52 PHE . 26881 1 53 53 LEU . 26881 1 54 54 VAL . 26881 1 55 55 PRO . 26881 1 56 56 ASP . 26881 1 57 57 HIS . 26881 1 58 58 VAL . 26881 1 59 59 ASN . 26881 1 60 60 MET . 26881 1 61 61 SER . 26881 1 62 62 GLU . 26881 1 63 63 LEU . 26881 1 64 64 ILE . 26881 1 65 65 LYS . 26881 1 66 66 ILE . 26881 1 67 67 ILE . 26881 1 68 68 ARG . 26881 1 69 69 ARG . 26881 1 70 70 ARG . 26881 1 71 71 LEU . 26881 1 72 72 GLN . 26881 1 73 73 LEU . 26881 1 74 74 ASN . 26881 1 75 75 ALA . 26881 1 76 76 ASN . 26881 1 77 77 GLN . 26881 1 78 78 ALA . 26881 1 79 79 PHE . 26881 1 80 80 PHE . 26881 1 81 81 LEU . 26881 1 82 82 LEU . 26881 1 83 83 VAL . 26881 1 84 84 ASN . 26881 1 85 85 GLY . 26881 1 86 86 HIS . 26881 1 87 87 SER . 26881 1 88 88 MET . 26881 1 89 89 VAL . 26881 1 90 90 SER . 26881 1 91 91 VAL . 26881 1 92 92 SER . 26881 1 93 93 THR . 26881 1 94 94 PRO . 26881 1 95 95 ILE . 26881 1 96 96 SER . 26881 1 97 97 GLU . 26881 1 98 98 VAL . 26881 1 99 99 TYR . 26881 1 100 100 GLU . 26881 1 101 101 SER . 26881 1 102 102 GLU . 26881 1 103 103 LYS . 26881 1 104 104 ASP . 26881 1 105 105 GLU . 26881 1 106 106 ASP . 26881 1 107 107 GLY . 26881 1 108 108 PHE . 26881 1 109 109 LEU . 26881 1 110 110 TYR . 26881 1 111 111 MET . 26881 1 112 112 VAL . 26881 1 113 113 TYR . 26881 1 114 114 ALA . 26881 1 115 115 SER . 26881 1 116 116 GLN . 26881 1 117 117 GLU . 26881 1 118 118 THR . 26881 1 119 119 PHE . 26881 1 120 120 GLY . 26881 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 26881 1 . PRO 2 2 26881 1 . SER 3 3 26881 1 . GLU 4 4 26881 1 . LYS 5 5 26881 1 . THR 6 6 26881 1 . PHE 7 7 26881 1 . LYS 8 8 26881 1 . GLN 9 9 26881 1 . ARG 10 10 26881 1 . ARG 11 11 26881 1 . THR 12 12 26881 1 . PHE 13 13 26881 1 . GLU 14 14 26881 1 . GLN 15 15 26881 1 . ARG 16 16 26881 1 . VAL 17 17 26881 1 . GLU 18 18 26881 1 . ASP 19 19 26881 1 . VAL 20 20 26881 1 . ARG 21 21 26881 1 . LEU 22 22 26881 1 . ILE 23 23 26881 1 . ARG 24 24 26881 1 . GLU 25 25 26881 1 . GLN 26 26 26881 1 . HIS 27 27 26881 1 . PRO 28 28 26881 1 . THR 29 29 26881 1 . LYS 30 30 26881 1 . ILE 31 31 26881 1 . PRO 32 32 26881 1 . VAL 33 33 26881 1 . ILE 34 34 26881 1 . ILE 35 35 26881 1 . GLU 36 36 26881 1 . ARG 37 37 26881 1 . TYR 38 38 26881 1 . LYS 39 39 26881 1 . GLY 40 40 26881 1 . GLU 41 41 26881 1 . LYS 42 42 26881 1 . GLN 43 43 26881 1 . LEU 44 44 26881 1 . PRO 45 45 26881 1 . VAL 46 46 26881 1 . LEU 47 47 26881 1 . ASP 48 48 26881 1 . LYS 49 49 26881 1 . THR 50 50 26881 1 . LYS 51 51 26881 1 . PHE 52 52 26881 1 . LEU 53 53 26881 1 . VAL 54 54 26881 1 . PRO 55 55 26881 1 . ASP 56 56 26881 1 . HIS 57 57 26881 1 . VAL 58 58 26881 1 . ASN 59 59 26881 1 . MET 60 60 26881 1 . SER 61 61 26881 1 . GLU 62 62 26881 1 . LEU 63 63 26881 1 . ILE 64 64 26881 1 . LYS 65 65 26881 1 . ILE 66 66 26881 1 . ILE 67 67 26881 1 . ARG 68 68 26881 1 . ARG 69 69 26881 1 . ARG 70 70 26881 1 . LEU 71 71 26881 1 . GLN 72 72 26881 1 . LEU 73 73 26881 1 . ASN 74 74 26881 1 . ALA 75 75 26881 1 . ASN 76 76 26881 1 . GLN 77 77 26881 1 . ALA 78 78 26881 1 . PHE 79 79 26881 1 . PHE 80 80 26881 1 . LEU 81 81 26881 1 . LEU 82 82 26881 1 . VAL 83 83 26881 1 . ASN 84 84 26881 1 . GLY 85 85 26881 1 . HIS 86 86 26881 1 . SER 87 87 26881 1 . MET 88 88 26881 1 . VAL 89 89 26881 1 . SER 90 90 26881 1 . VAL 91 91 26881 1 . SER 92 92 26881 1 . THR 93 93 26881 1 . PRO 94 94 26881 1 . ILE 95 95 26881 1 . SER 96 96 26881 1 . GLU 97 97 26881 1 . VAL 98 98 26881 1 . TYR 99 99 26881 1 . GLU 100 100 26881 1 . SER 101 101 26881 1 . GLU 102 102 26881 1 . LYS 103 103 26881 1 . ASP 104 104 26881 1 . GLU 105 105 26881 1 . ASP 106 106 26881 1 . GLY 107 107 26881 1 . PHE 108 108 26881 1 . LEU 109 109 26881 1 . TYR 110 110 26881 1 . MET 111 111 26881 1 . VAL 112 112 26881 1 . TYR 113 113 26881 1 . ALA 114 114 26881 1 . SER 115 115 26881 1 . GLN 116 116 26881 1 . GLU 117 117 26881 1 . THR 118 118 26881 1 . PHE 119 119 26881 1 . GLY 120 120 26881 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 26881 _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 $Microtubule-associated_proteins_1A-1B_light_chain_3B . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26881 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 26881 _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 $Microtubule-associated_proteins_1A-1B_light_chain_3B . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pGEX6P1 . . . 26881 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26881 _Sample.ID 1 _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 'Microtubule-associated proteins 1A/1B light chain 3B' '[U-100% 15N]' . . 1 $Microtubule-associated_proteins_1A-1B_light_chain_3B . . 500 . . uM . . . . 26881 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 26881 1 3 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 26881 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26881 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26881 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 26881 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.8 . pH 26881 1 pressure 1 . atm 26881 1 temperature 298 . K 26881 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 26881 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 26881 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26881 1 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 26881 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 26881 _NMR_spectrometer_list.ID 1 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 . 700 . . . 26881 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 26881 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26881 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 26881 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.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 . . . . . 26881 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26881 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 26881 _Assigned_chem_shift_list.ID 1 _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' . . . 26881 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 SER H H 1 8.366 . . 1 . . . . 3 Ser H . 26881 1 2 . 1 1 3 3 SER N N 15 115.6 . . 1 . . . . 3 Ser N . 26881 1 3 . 1 1 5 5 LYS H H 1 8.28 . . 1 . . . . 5 Lys H . 26881 1 4 . 1 1 5 5 LYS N N 15 122.3 . . 1 . . . . 5 Lys N . 26881 1 5 . 1 1 6 6 THR H H 1 8.411 . . 1 . . . . 6 Thr H . 26881 1 6 . 1 1 6 6 THR N N 15 114.8 . . 1 . . . . 6 Thr N . 26881 1 7 . 1 1 7 7 PHE H H 1 10.27 . . 1 . . . . 7 Phe H . 26881 1 8 . 1 1 7 7 PHE N N 15 125 . . 1 . . . . 7 Phe N . 26881 1 9 . 1 1 8 8 LYS H H 1 8.701 . . 1 . . . . 8 Lys H . 26881 1 10 . 1 1 8 8 LYS N N 15 114.3 . . 1 . . . . 8 Lys N . 26881 1 11 . 1 1 9 9 GLN H H 1 7.361 . . 1 . . . . 9 Gln H . 26881 1 12 . 1 1 9 9 GLN N N 15 113.3 . . 1 . . . . 9 Gln N . 26881 1 13 . 1 1 10 10 ARG H H 1 7.856 . . 1 . . . . 10 Arg H . 26881 1 14 . 1 1 10 10 ARG N N 15 118.2 . . 1 . . . . 10 Arg N . 26881 1 15 . 1 1 11 11 ARG H H 1 7.333 . . 1 . . . . 11 Arg H . 26881 1 16 . 1 1 11 11 ARG N N 15 120.2 . . 1 . . . . 11 Arg N . 26881 1 17 . 1 1 12 12 THR H H 1 8.768 . . 1 . . . . 12 Thr H . 26881 1 18 . 1 1 12 12 THR N N 15 115.9 . . 1 . . . . 12 Thr N . 26881 1 19 . 1 1 13 13 PHE H H 1 9.202 . . 1 . . . . 13 Phe H . 26881 1 20 . 1 1 13 13 PHE N N 15 122.9 . . 1 . . . . 13 Phe N . 26881 1 21 . 1 1 14 14 GLU H H 1 8.968 . . 1 . . . . 14 Glu H . 26881 1 22 . 1 1 14 14 GLU N N 15 115.4 . . 1 . . . . 14 Glu N . 26881 1 23 . 1 1 15 15 GLN H H 1 7.634 . . 1 . . . . 15 Gln H . 26881 1 24 . 1 1 15 15 GLN N N 15 118.8 . . 1 . . . . 15 Gln N . 26881 1 25 . 1 1 16 16 ARG H H 1 8.634 . . 1 . . . . 16 Arg H . 26881 1 26 . 1 1 16 16 ARG N N 15 121.4 . . 1 . . . . 16 Arg N . 26881 1 27 . 1 1 17 17 VAL H H 1 8.377 . . 1 . . . . 17 Val H . 26881 1 28 . 1 1 17 17 VAL N N 15 118.3 . . 1 . . . . 17 Val N . 26881 1 29 . 1 1 18 18 GLU H H 1 7.383 . . 1 . . . . 18 Glu H . 26881 1 30 . 1 1 18 18 GLU N N 15 120.3 . . 1 . . . . 18 Glu N . 26881 1 31 . 1 1 19 19 ASP H H 1 8.574 . . 1 . . . . 19 Asp H . 26881 1 32 . 1 1 19 19 ASP N N 15 121.3 . . 1 . . . . 19 Asp N . 26881 1 33 . 1 1 20 20 VAL H H 1 7.986 . . 1 . . . . 20 Val H . 26881 1 34 . 1 1 20 20 VAL N N 15 119.7 . . 1 . . . . 20 Val N . 26881 1 35 . 1 1 21 21 ARG H H 1 8.037 . . 1 . . . . 21 Arg H . 26881 1 36 . 1 1 21 21 ARG N N 15 121.4 . . 1 . . . . 21 Arg N . 26881 1 37 . 1 1 22 22 LEU H H 1 8.248 . . 1 . . . . 22 Leu H . 26881 1 38 . 1 1 22 22 LEU N N 15 119.7 . . 1 . . . . 22 Leu N . 26881 1 39 . 1 1 23 23 ILE H H 1 8.204 . . 1 . . . . 23 Ile H . 26881 1 40 . 1 1 23 23 ILE N N 15 121.7 . . 1 . . . . 23 Ile N . 26881 1 41 . 1 1 24 24 ARG H H 1 8.637 . . 1 . . . . 24 Arg H . 26881 1 42 . 1 1 24 24 ARG N N 15 118.5 . . 1 . . . . 24 Arg N . 26881 1 43 . 1 1 25 25 GLU H H 1 7.51 . . 1 . . . . 25 Glu H . 26881 1 44 . 1 1 25 25 GLU N N 15 116.6 . . 1 . . . . 25 Glu N . 26881 1 45 . 1 1 26 26 GLN H H 1 7.855 . . 1 . . . . 26 Gln H . 26881 1 46 . 1 1 26 26 GLN N N 15 116 . . 1 . . . . 26 Gln N . 26881 1 47 . 1 1 27 27 HIS H H 1 8.7 . . 1 . . . . 27 His H . 26881 1 48 . 1 1 27 27 HIS N N 15 117.2 . . 1 . . . . 27 His N . 26881 1 49 . 1 1 30 30 LYS H H 1 7.425 . . 1 . . . . 30 Lys H . 26881 1 50 . 1 1 30 30 LYS N N 15 117.4 . . 1 . . . . 30 Lys N . 26881 1 51 . 1 1 31 31 ILE H H 1 9.347 . . 1 . . . . 31 Ile H . 26881 1 52 . 1 1 31 31 ILE N N 15 122.7 . . 1 . . . . 31 Ile N . 26881 1 53 . 1 1 33 33 VAL H H 1 8.921 . . 1 . . . . 33 Val H . 26881 1 54 . 1 1 33 33 VAL N N 15 126.2 . . 1 . . . . 33 Val N . 26881 1 55 . 1 1 34 34 ILE H H 1 8.785 . . 1 . . . . 34 Ile H . 26881 1 56 . 1 1 34 34 ILE N N 15 128.2 . . 1 . . . . 34 Ile N . 26881 1 57 . 1 1 35 35 ILE H H 1 8.794 . . 1 . . . . 35 Ile H . 26881 1 58 . 1 1 35 35 ILE N N 15 125.3 . . 1 . . . . 35 Ile N . 26881 1 59 . 1 1 37 37 ARG H H 1 8.839 . . 1 . . . . 37 Arg H . 26881 1 60 . 1 1 37 37 ARG N N 15 123 . . 1 . . . . 37 Arg N . 26881 1 61 . 1 1 38 38 TYR H H 1 8.595 . . 1 . . . . 38 Tyr H . 26881 1 62 . 1 1 38 38 TYR N N 15 128.6 . . 1 . . . . 38 Tyr N . 26881 1 63 . 1 1 39 39 LYS H H 1 8.495 . . 1 . . . . 39 Lys H . 26881 1 64 . 1 1 39 39 LYS N N 15 130.1 . . 1 . . . . 39 Lys N . 26881 1 65 . 1 1 41 41 GLU H H 1 7.489 . . 1 . . . . 41 Glu H . 26881 1 66 . 1 1 41 41 GLU N N 15 122.7 . . 1 . . . . 41 Glu N . 26881 1 67 . 1 1 43 43 GLN H H 1 8.361 . . 1 . . . . 43 Gln H . 26881 1 68 . 1 1 43 43 GLN N N 15 119.3 . . 1 . . . . 43 Gln N . 26881 1 69 . 1 1 44 44 LEU H H 1 9.055 . . 1 . . . . 44 Leu H . 26881 1 70 . 1 1 44 44 LEU N N 15 120.6 . . 1 . . . . 44 Leu N . 26881 1 71 . 1 1 46 46 VAL H H 1 8.441 . . 1 . . . . 46 Val H . 26881 1 72 . 1 1 46 46 VAL N N 15 118.6 . . 1 . . . . 46 Val N . 26881 1 73 . 1 1 47 47 LEU H H 1 7.846 . . 1 . . . . 47 Leu H . 26881 1 74 . 1 1 47 47 LEU N N 15 128.5 . . 1 . . . . 47 Leu N . 26881 1 75 . 1 1 48 48 ASP H H 1 8.574 . . 1 . . . . 48 Asp H . 26881 1 76 . 1 1 48 48 ASP N N 15 121.9 . . 1 . . . . 48 Asp N . 26881 1 77 . 1 1 49 49 LYS H H 1 7.219 . . 1 . . . . 49 Lys H . 26881 1 78 . 1 1 49 49 LYS N N 15 118.9 . . 1 . . . . 49 Lys N . 26881 1 79 . 1 1 51 51 LYS H H 1 7.376 . . 1 . . . . 51 Lys H . 26881 1 80 . 1 1 51 51 LYS N N 15 121 . . 1 . . . . 51 Lys N . 26881 1 81 . 1 1 52 52 PHE H H 1 9.745 . . 1 . . . . 52 Phe H . 26881 1 82 . 1 1 52 52 PHE N N 15 126.6 . . 1 . . . . 52 Phe N . 26881 1 83 . 1 1 53 53 LEU H H 1 8.54 . . 1 . . . . 53 Leu H . 26881 1 84 . 1 1 53 53 LEU N N 15 122.3 . . 1 . . . . 53 Leu N . 26881 1 85 . 1 1 54 54 VAL H H 1 8.802 . . 1 . . . . 54 Val H . 26881 1 86 . 1 1 54 54 VAL N N 15 126.7 . . 1 . . . . 54 Val N . 26881 1 87 . 1 1 56 56 ASP H H 1 8.437 . . 1 . . . . 56 Asp H . 26881 1 88 . 1 1 56 56 ASP N N 15 119.5 . . 1 . . . . 56 Asp N . 26881 1 89 . 1 1 57 57 HIS H H 1 7.406 . . 1 . . . . 57 His H . 26881 1 90 . 1 1 57 57 HIS N N 15 114 . . 1 . . . . 57 His N . 26881 1 91 . 1 1 58 58 VAL H H 1 7.079 . . 1 . . . . 58 Val H . 26881 1 92 . 1 1 58 58 VAL N N 15 117.4 . . 1 . . . . 58 Val N . 26881 1 93 . 1 1 60 60 MET H H 1 8.168 . . 1 . . . . 60 Met H . 26881 1 94 . 1 1 60 60 MET N N 15 118.4 . . 1 . . . . 60 Met N . 26881 1 95 . 1 1 61 61 SER H H 1 8.506 . . 1 . . . . 61 Ser H . 26881 1 96 . 1 1 61 61 SER N N 15 114.2 . . 1 . . . . 61 Ser N . 26881 1 97 . 1 1 62 62 GLU H H 1 7.9 . . 1 . . . . 62 Glu H . 26881 1 98 . 1 1 62 62 GLU N N 15 122.6 . . 1 . . . . 62 Glu N . 26881 1 99 . 1 1 63 63 LEU H H 1 7.584 . . 1 . . . . 63 Leu H . 26881 1 100 . 1 1 63 63 LEU N N 15 120.4 . . 1 . . . . 63 Leu N . 26881 1 101 . 1 1 64 64 ILE H H 1 8.351 . . 1 . . . . 64 Ile H . 26881 1 102 . 1 1 64 64 ILE N N 15 118.6 . . 1 . . . . 64 Ile N . 26881 1 103 . 1 1 65 65 LYS H H 1 7.412 . . 1 . . . . 65 Lys H . 26881 1 104 . 1 1 65 65 LYS N N 15 118.2 . . 1 . . . . 65 Lys N . 26881 1 105 . 1 1 66 66 ILE H H 1 7.956 . . 1 . . . . 66 Ile H . 26881 1 106 . 1 1 66 66 ILE N N 15 120.6 . . 1 . . . . 66 Ile N . 26881 1 107 . 1 1 67 67 ILE H H 1 8.031 . . 1 . . . . 67 Ile H . 26881 1 108 . 1 1 67 67 ILE N N 15 120.1 . . 1 . . . . 67 Ile N . 26881 1 109 . 1 1 68 68 ARG H H 1 8.479 . . 1 . . . . 68 Arg H . 26881 1 110 . 1 1 68 68 ARG N N 15 118.7 . . 1 . . . . 68 Arg N . 26881 1 111 . 1 1 69 69 ARG H H 1 7.605 . . 1 . . . . 69 Arg H . 26881 1 112 . 1 1 69 69 ARG N N 15 116.2 . . 1 . . . . 69 Arg N . 26881 1 113 . 1 1 70 70 ARG H H 1 8.028 . . 1 . . . . 70 Arg H . 26881 1 114 . 1 1 70 70 ARG N N 15 122.4 . . 1 . . . . 70 Arg N . 26881 1 115 . 1 1 71 71 LEU H H 1 7.765 . . 1 . . . . 71 Leu H . 26881 1 116 . 1 1 71 71 LEU N N 15 116.5 . . 1 . . . . 71 Leu N . 26881 1 117 . 1 1 72 72 GLN H H 1 7.674 . . 1 . . . . 72 Gln H . 26881 1 118 . 1 1 72 72 GLN N N 15 114.5 . . 1 . . . . 72 Gln N . 26881 1 119 . 1 1 73 73 LEU H H 1 7.482 . . 1 . . . . 73 Leu H . 26881 1 120 . 1 1 73 73 LEU N N 15 115.1 . . 1 . . . . 73 Leu N . 26881 1 121 . 1 1 74 74 ASN H H 1 8.922 . . 1 . . . . 74 Asn H . 26881 1 122 . 1 1 74 74 ASN N N 15 121.3 . . 1 . . . . 74 Asn N . 26881 1 123 . 1 1 75 75 ALA H H 1 8.718 . . 1 . . . . 75 Ala H . 26881 1 124 . 1 1 75 75 ALA N N 15 123 . . 1 . . . . 75 Ala N . 26881 1 125 . 1 1 76 76 ASN H H 1 8.32 . . 1 . . . . 76 Asn H . 26881 1 126 . 1 1 76 76 ASN N N 15 112.1 . . 1 . . . . 76 Asn N . 26881 1 127 . 1 1 77 77 GLN H H 1 7.487 . . 1 . . . . 77 Gln H . 26881 1 128 . 1 1 77 77 GLN N N 15 120 . . 1 . . . . 77 Gln N . 26881 1 129 . 1 1 78 78 ALA H H 1 8.674 . . 1 . . . . 78 Ala H . 26881 1 130 . 1 1 78 78 ALA N N 15 130 . . 1 . . . . 78 Ala N . 26881 1 131 . 1 1 79 79 PHE H H 1 7.562 . . 1 . . . . 79 Phe H . 26881 1 132 . 1 1 79 79 PHE N N 15 118.6 . . 1 . . . . 79 Phe N . 26881 1 133 . 1 1 80 80 PHE H H 1 8.461 . . 1 . . . . 80 Phe H . 26881 1 134 . 1 1 80 80 PHE N N 15 125.2 . . 1 . . . . 80 Phe N . 26881 1 135 . 1 1 81 81 LEU H H 1 8.298 . . 1 . . . . 81 Leu H . 26881 1 136 . 1 1 81 81 LEU N N 15 121 . . 1 . . . . 81 Leu N . 26881 1 137 . 1 1 82 82 LEU H H 1 9.1 . . 1 . . . . 82 Leu H . 26881 1 138 . 1 1 82 82 LEU N N 15 123.8 . . 1 . . . . 82 Leu N . 26881 1 139 . 1 1 83 83 VAL H H 1 9.129 . . 1 . . . . 83 Val H . 26881 1 140 . 1 1 83 83 VAL N N 15 125.5 . . 1 . . . . 83 Val N . 26881 1 141 . 1 1 84 84 ASN H H 1 9.631 . . 1 . . . . 84 Asn H . 26881 1 142 . 1 1 84 84 ASN N N 15 125.2 . . 1 . . . . 84 Asn N . 26881 1 143 . 1 1 86 86 HIS H H 1 7.822 . . 1 . . . . 86 His H . 26881 1 144 . 1 1 86 86 HIS N N 15 116.8 . . 1 . . . . 86 His N . 26881 1 145 . 1 1 87 87 SER H H 1 8.606 . . 1 . . . . 87 Ser H . 26881 1 146 . 1 1 87 87 SER N N 15 117.4 . . 1 . . . . 87 Ser N . 26881 1 147 . 1 1 88 88 MET H H 1 9.096 . . 1 . . . . 88 Met H . 26881 1 148 . 1 1 88 88 MET N N 15 125.6 . . 1 . . . . 88 Met N . 26881 1 149 . 1 1 89 89 VAL H H 1 8.416 . . 1 . . . . 89 Val H . 26881 1 150 . 1 1 89 89 VAL N N 15 121 . . 1 . . . . 89 Val N . 26881 1 151 . 1 1 90 90 SER H H 1 8.488 . . 1 . . . . 90 Ser H . 26881 1 152 . 1 1 90 90 SER N N 15 118.3 . . 1 . . . . 90 Ser N . 26881 1 153 . 1 1 93 93 THR H H 1 7.492 . . 1 . . . . 93 Thr H . 26881 1 154 . 1 1 93 93 THR N N 15 120.2 . . 1 . . . . 93 Thr N . 26881 1 155 . 1 1 95 95 ILE H H 1 9.249 . . 1 . . . . 95 Ile H . 26881 1 156 . 1 1 95 95 ILE N N 15 125 . . 1 . . . . 95 Ile N . 26881 1 157 . 1 1 96 96 SER H H 1 8.652 . . 1 . . . . 96 Ser H . 26881 1 158 . 1 1 96 96 SER N N 15 116.8 . . 1 . . . . 96 Ser N . 26881 1 159 . 1 1 97 97 GLU H H 1 7.19 . . 1 . . . . 97 Glu H . 26881 1 160 . 1 1 97 97 GLU N N 15 122.7 . . 1 . . . . 97 Glu N . 26881 1 161 . 1 1 98 98 VAL H H 1 7.468 . . 1 . . . . 98 Val H . 26881 1 162 . 1 1 98 98 VAL N N 15 120.5 . . 1 . . . . 98 Val N . 26881 1 163 . 1 1 99 99 TYR H H 1 8.923 . . 1 . . . . 99 Tyr H . 26881 1 164 . 1 1 99 99 TYR N N 15 118.7 . . 1 . . . . 99 Tyr N . 26881 1 165 . 1 1 100 100 GLU H H 1 7.482 . . 1 . . . . 100 Glu H . 26881 1 166 . 1 1 100 100 GLU N N 15 113.8 . . 1 . . . . 100 Glu N . 26881 1 167 . 1 1 101 101 SER H H 1 7.4 . . 1 . . . . 101 Ser H . 26881 1 168 . 1 1 101 101 SER N N 15 108.7 . . 1 . . . . 101 Ser N . 26881 1 169 . 1 1 102 102 GLU H H 1 8.412 . . 1 . . . . 102 Glu H . 26881 1 170 . 1 1 102 102 GLU N N 15 116.3 . . 1 . . . . 102 Glu N . 26881 1 171 . 1 1 103 103 LYS H H 1 7.723 . . 1 . . . . 103 Lys H . 26881 1 172 . 1 1 103 103 LYS N N 15 118.2 . . 1 . . . . 103 Lys N . 26881 1 173 . 1 1 104 104 ASP H H 1 8.995 . . 1 . . . . 104 Asp H . 26881 1 174 . 1 1 104 104 ASP N N 15 123.3 . . 1 . . . . 104 Asp N . 26881 1 175 . 1 1 105 105 GLU H H 1 8.832 . . 1 . . . . 105 Glu H . 26881 1 176 . 1 1 105 105 GLU N N 15 125 . . 1 . . . . 105 Glu N . 26881 1 177 . 1 1 106 106 ASP H H 1 9.896 . . 1 . . . . 106 Asp H . 26881 1 178 . 1 1 106 106 ASP N N 15 118.5 . . 1 . . . . 106 Asp N . 26881 1 179 . 1 1 107 107 GLY H H 1 7.946 . . 1 . . . . 107 Gly H . 26881 1 180 . 1 1 107 107 GLY N N 15 105.7 . . 1 . . . . 107 Gly N . 26881 1 181 . 1 1 108 108 PHE H H 1 9.769 . . 1 . . . . 108 Phe H . 26881 1 182 . 1 1 108 108 PHE N N 15 123.6 . . 1 . . . . 108 Phe N . 26881 1 183 . 1 1 109 109 LEU H H 1 7.957 . . 1 . . . . 109 Leu H . 26881 1 184 . 1 1 109 109 LEU N N 15 119.3 . . 1 . . . . 109 Leu N . 26881 1 185 . 1 1 110 110 TYR H H 1 9.436 . . 1 . . . . 110 Tyr H . 26881 1 186 . 1 1 110 110 TYR N N 15 126.5 . . 1 . . . . 110 Tyr N . 26881 1 187 . 1 1 111 111 MET H H 1 9.511 . . 1 . . . . 111 Met H . 26881 1 188 . 1 1 111 111 MET N N 15 118.5 . . 1 . . . . 111 Met N . 26881 1 189 . 1 1 112 112 VAL H H 1 8.676 . . 1 . . . . 112 Val H . 26881 1 190 . 1 1 112 112 VAL N N 15 118.4 . . 1 . . . . 112 Val N . 26881 1 191 . 1 1 113 113 TYR H H 1 8.266 . . 1 . . . . 113 Tyr H . 26881 1 192 . 1 1 113 113 TYR N N 15 119.3 . . 1 . . . . 113 Tyr N . 26881 1 193 . 1 1 115 115 SER H H 1 9.709 . . 1 . . . . 115 Ser H . 26881 1 194 . 1 1 115 115 SER N N 15 114.3 . . 1 . . . . 115 Ser N . 26881 1 195 . 1 1 116 116 GLN H H 1 7.280 . . 1 . . . . 116 Gln H . 26881 1 196 . 1 1 116 116 GLN N N 15 117.4 . . 1 . . . . 116 Gln N . 26881 1 197 . 1 1 117 117 GLU H H 1 7.961 . . 1 . . . . 117 Glu H . 26881 1 198 . 1 1 117 117 GLU N N 15 118.2 . . 1 . . . . 117 Glu N . 26881 1 199 . 1 1 118 118 THR H H 1 7.160 . . 1 . . . . 118 Thr H . 26881 1 200 . 1 1 118 118 THR N N 15 110.8 . . 1 . . . . 118 Thr N . 26881 1 201 . 1 1 120 120 GLY H H 1 7.884 . . 1 . . . . 120 Gly H . 26881 1 202 . 1 1 120 120 GLY N N 15 116 . . 1 . . . . 120 Gly N . 26881 1 stop_ save_