data_25561 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25561 _Entry.Title ; Structure and assembly of the mouse ASC filament by combined NMR spectroscopy and cryo-electron microscopy ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-04-01 _Entry.Accession_date 2015-04-01 _Entry.Last_release_date 2016-06-30 _Entry.Original_release_date 2016-06-30 _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 Lorenzo Sborgi . . . . 25561 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25561 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 192 25561 '15N chemical shifts' 100 25561 '1H chemical shifts' 100 25561 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 . . 2016-06-30 . original BMRB . 25561 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25561 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26464513 _Citation.Full_citation . _Citation.Title ; Structure and assembly of the mouse ASC inflammasome by combined NMR spectroscopy and cryo-electron microscopy ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U. S. A.' _Citation.Journal_name_full . _Citation.Journal_volume 112 _Citation.Journal_issue 43 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 13237 _Citation.Page_last 13242 _Citation.Year 2015 _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 Lorenzo Sborgi . . . . 25561 1 2 Francesco Ravotti . . . . 25561 1 3 Venkata Dandey . P. . . 25561 1 4 Mathias Dick . S. . . 25561 1 5 Adam Mazur . . . . 25561 1 6 Sina Reckel . . . . 25561 1 7 Mohamed Chami . . . . 25561 1 8 Sebastian Scherer . . . . 25561 1 9 Matthias Huber . . . . 25561 1 10 Anja Bockmann . . . . 25561 1 11 Edward Egelman . H. . . 25561 1 12 Henning Stahlberg . . . . 25561 1 13 Petr Broz . . . . 25561 1 14 Beat Meier . H. . . 25561 1 15 Sebastian Hiller . . . . 25561 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25561 _Assembly.ID 1 _Assembly.Name 'ASC PYD' _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 'ASC Pyrin domain' 1 $ASC_PYD A . yes native no no . . . 25561 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ASC_PYD _Entity.Sf_category entity _Entity.Sf_framecode ASC_PYD _Entity.Entry_ID 25561 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ASC_PYD _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 ; MGRARDAILDALENLSGDEL KKFKMKLLTVQLREGYGRIP RGALLQMDAIDLTDKLVSYY LESYGLELTMTVLRDMGLQE LAEQLQTTKEEGSGSLEHHH HHH ; _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 103 _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 . MET . 25561 1 2 . GLY . 25561 1 3 . ARG . 25561 1 4 . ALA . 25561 1 5 . ARG . 25561 1 6 . ASP . 25561 1 7 . ALA . 25561 1 8 . ILE . 25561 1 9 . LEU . 25561 1 10 . ASP . 25561 1 11 . ALA . 25561 1 12 . LEU . 25561 1 13 . GLU . 25561 1 14 . ASN . 25561 1 15 . LEU . 25561 1 16 . SER . 25561 1 17 . GLY . 25561 1 18 . ASP . 25561 1 19 . GLU . 25561 1 20 . LEU . 25561 1 21 . LYS . 25561 1 22 . LYS . 25561 1 23 . PHE . 25561 1 24 . LYS . 25561 1 25 . MET . 25561 1 26 . LYS . 25561 1 27 . LEU . 25561 1 28 . LEU . 25561 1 29 . THR . 25561 1 30 . VAL . 25561 1 31 . GLN . 25561 1 32 . LEU . 25561 1 33 . ARG . 25561 1 34 . GLU . 25561 1 35 . GLY . 25561 1 36 . TYR . 25561 1 37 . GLY . 25561 1 38 . ARG . 25561 1 39 . ILE . 25561 1 40 . PRO . 25561 1 41 . ARG . 25561 1 42 . GLY . 25561 1 43 . ALA . 25561 1 44 . LEU . 25561 1 45 . LEU . 25561 1 46 . GLN . 25561 1 47 . MET . 25561 1 48 . ASP . 25561 1 49 . ALA . 25561 1 50 . ILE . 25561 1 51 . ASP . 25561 1 52 . LEU . 25561 1 53 . THR . 25561 1 54 . ASP . 25561 1 55 . LYS . 25561 1 56 . LEU . 25561 1 57 . VAL . 25561 1 58 . SER . 25561 1 59 . TYR . 25561 1 60 . TYR . 25561 1 61 . LEU . 25561 1 62 . GLU . 25561 1 63 . SER . 25561 1 64 . TYR . 25561 1 65 . GLY . 25561 1 66 . LEU . 25561 1 67 . GLU . 25561 1 68 . LEU . 25561 1 69 . THR . 25561 1 70 . MET . 25561 1 71 . THR . 25561 1 72 . VAL . 25561 1 73 . LEU . 25561 1 74 . ARG . 25561 1 75 . ASP . 25561 1 76 . MET . 25561 1 77 . GLY . 25561 1 78 . LEU . 25561 1 79 . GLN . 25561 1 80 . GLU . 25561 1 81 . LEU . 25561 1 82 . ALA . 25561 1 83 . GLU . 25561 1 84 . GLN . 25561 1 85 . LEU . 25561 1 86 . GLN . 25561 1 87 . THR . 25561 1 88 . THR . 25561 1 89 . LYS . 25561 1 90 . GLU . 25561 1 91 . GLU . 25561 1 92 . GLY . 25561 1 93 . SER . 25561 1 94 . GLY . 25561 1 95 . SER . 25561 1 96 . LEU . 25561 1 97 . GLU . 25561 1 98 . HIS . 25561 1 99 . HIS . 25561 1 100 . HIS . 25561 1 101 . HIS . 25561 1 102 . HIS . 25561 1 103 . HIS . 25561 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 25561 1 . GLY 2 2 25561 1 . ARG 3 3 25561 1 . ALA 4 4 25561 1 . ARG 5 5 25561 1 . ASP 6 6 25561 1 . ALA 7 7 25561 1 . ILE 8 8 25561 1 . LEU 9 9 25561 1 . ASP 10 10 25561 1 . ALA 11 11 25561 1 . LEU 12 12 25561 1 . GLU 13 13 25561 1 . ASN 14 14 25561 1 . LEU 15 15 25561 1 . SER 16 16 25561 1 . GLY 17 17 25561 1 . ASP 18 18 25561 1 . GLU 19 19 25561 1 . LEU 20 20 25561 1 . LYS 21 21 25561 1 . LYS 22 22 25561 1 . PHE 23 23 25561 1 . LYS 24 24 25561 1 . MET 25 25 25561 1 . LYS 26 26 25561 1 . LEU 27 27 25561 1 . LEU 28 28 25561 1 . THR 29 29 25561 1 . VAL 30 30 25561 1 . GLN 31 31 25561 1 . LEU 32 32 25561 1 . ARG 33 33 25561 1 . GLU 34 34 25561 1 . GLY 35 35 25561 1 . TYR 36 36 25561 1 . GLY 37 37 25561 1 . ARG 38 38 25561 1 . ILE 39 39 25561 1 . PRO 40 40 25561 1 . ARG 41 41 25561 1 . GLY 42 42 25561 1 . ALA 43 43 25561 1 . LEU 44 44 25561 1 . LEU 45 45 25561 1 . GLN 46 46 25561 1 . MET 47 47 25561 1 . ASP 48 48 25561 1 . ALA 49 49 25561 1 . ILE 50 50 25561 1 . ASP 51 51 25561 1 . LEU 52 52 25561 1 . THR 53 53 25561 1 . ASP 54 54 25561 1 . LYS 55 55 25561 1 . LEU 56 56 25561 1 . VAL 57 57 25561 1 . SER 58 58 25561 1 . TYR 59 59 25561 1 . TYR 60 60 25561 1 . LEU 61 61 25561 1 . GLU 62 62 25561 1 . SER 63 63 25561 1 . TYR 64 64 25561 1 . GLY 65 65 25561 1 . LEU 66 66 25561 1 . GLU 67 67 25561 1 . LEU 68 68 25561 1 . THR 69 69 25561 1 . MET 70 70 25561 1 . THR 71 71 25561 1 . VAL 72 72 25561 1 . LEU 73 73 25561 1 . ARG 74 74 25561 1 . ASP 75 75 25561 1 . MET 76 76 25561 1 . GLY 77 77 25561 1 . LEU 78 78 25561 1 . GLN 79 79 25561 1 . GLU 80 80 25561 1 . LEU 81 81 25561 1 . ALA 82 82 25561 1 . GLU 83 83 25561 1 . GLN 84 84 25561 1 . LEU 85 85 25561 1 . GLN 86 86 25561 1 . THR 87 87 25561 1 . THR 88 88 25561 1 . LYS 89 89 25561 1 . GLU 90 90 25561 1 . GLU 91 91 25561 1 . GLY 92 92 25561 1 . SER 93 93 25561 1 . GLY 94 94 25561 1 . SER 95 95 25561 1 . LEU 96 96 25561 1 . GLU 97 97 25561 1 . HIS 98 98 25561 1 . HIS 99 99 25561 1 . HIS 100 100 25561 1 . HIS 101 101 25561 1 . HIS 102 102 25561 1 . HIS 103 103 25561 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 25561 _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 $ASC_PYD . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . 25561 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 25561 _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 $ASC_PYD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET28a . . . 25561 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25561 _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 'ASC PYD' '[U-100% 13C; U-100% 15N]' . . 1 $ASC_PYD . . 0.3 . . mM . . . . 25561 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 25561 _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 'ionic strength' 150 . mM 25561 1 pH 3.7 . pH 25561 1 pressure 1 . atm 25561 1 temperature 298 . K 25561 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 25561 _Software.ID 1 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 25561 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25561 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 25561 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Ascend II' _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 25561 _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 'Ascend II' . 700 . . . 25561 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 25561 _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 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25561 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25561 1 3 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25561 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 25561 _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 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25561 1 C 13 water protons . . . . ppm 0.00 internal indirect 0.251449530 . . . . . 25561 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25561 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 25561 _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' . . . 25561 1 2 '3D HNCACB' . . . 25561 1 3 '3D C(CO)NH' . . . 25561 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 2 2 GLY H H 1 8.92 0.02 . 1 . . . . 2 GLY H . 25561 1 2 . 1 1 2 2 GLY CA C 13 43.4 0.3 . 1 . . . . 2 GLY CA . 25561 1 3 . 1 1 2 2 GLY N N 15 112.6 0.3 . 1 . . . . 2 GLY N . 25561 1 4 . 1 1 3 3 ARG H H 1 8.79 0.02 . 1 . . . . 3 ARG H . 25561 1 5 . 1 1 3 3 ARG CA C 13 58.8 0.3 . 1 . . . . 3 ARG CA . 25561 1 6 . 1 1 3 3 ARG CB C 13 30.4 0.3 . 1 . . . . 3 ARG CB . 25561 1 7 . 1 1 3 3 ARG N N 15 121.1 0.3 . 1 . . . . 3 ARG N . 25561 1 8 . 1 1 4 4 ALA H H 1 8.60 0.02 . 1 . . . . 4 ALA H . 25561 1 9 . 1 1 4 4 ALA CA C 13 55.8 0.3 . 1 . . . . 4 ALA CA . 25561 1 10 . 1 1 4 4 ALA CB C 13 19.1 0.3 . 1 . . . . 4 ALA CB . 25561 1 11 . 1 1 4 4 ALA N N 15 122.5 0.3 . 1 . . . . 4 ALA N . 25561 1 12 . 1 1 5 5 ARG H H 1 8.09 0.02 . 1 . . . . 5 ARG H . 25561 1 13 . 1 1 5 5 ARG CA C 13 60.2 0.3 . 1 . . . . 5 ARG CA . 25561 1 14 . 1 1 5 5 ARG CB C 13 29.8 0.3 . 1 . . . . 5 ARG CB . 25561 1 15 . 1 1 5 5 ARG N N 15 117.7 0.3 . 1 . . . . 5 ARG N . 25561 1 16 . 1 1 6 6 ASP H H 1 7.66 0.02 . 1 . . . . 6 ASP H . 25561 1 17 . 1 1 6 6 ASP CA C 13 57.1 0.3 . 1 . . . . 6 ASP CA . 25561 1 18 . 1 1 6 6 ASP CB C 13 39.6 0.3 . 1 . . . . 6 ASP CB . 25561 1 19 . 1 1 6 6 ASP N N 15 117.1 0.3 . 1 . . . . 6 ASP N . 25561 1 20 . 1 1 7 7 ALA H H 1 7.94 0.02 . 1 . . . . 7 ALA H . 25561 1 21 . 1 1 7 7 ALA CA C 13 55.3 0.3 . 1 . . . . 7 ALA CA . 25561 1 22 . 1 1 7 7 ALA CB C 13 19.0 0.3 . 1 . . . . 7 ALA CB . 25561 1 23 . 1 1 7 7 ALA N N 15 122.9 0.3 . 1 . . . . 7 ALA N . 25561 1 24 . 1 1 8 8 ILE H H 1 8.18 0.02 . 1 . . . . 8 ILE H . 25561 1 25 . 1 1 8 8 ILE CA C 13 66.7 0.3 . 1 . . . . 8 ILE CA . 25561 1 26 . 1 1 8 8 ILE CB C 13 39.1 0.3 . 1 . . . . 8 ILE CB . 25561 1 27 . 1 1 8 8 ILE N N 15 119.5 0.3 . 1 . . . . 8 ILE N . 25561 1 28 . 1 1 9 9 LEU H H 1 8.03 0.02 . 1 . . . . 9 LEU H . 25561 1 29 . 1 1 9 9 LEU CA C 13 58.2 0.3 . 1 . . . . 9 LEU CA . 25561 1 30 . 1 1 9 9 LEU CB C 13 41.7 0.3 . 1 . . . . 9 LEU CB . 25561 1 31 . 1 1 9 9 LEU N N 15 119.1 0.3 . 1 . . . . 9 LEU N . 25561 1 32 . 1 1 10 10 ASP H H 1 7.96 0.02 . 1 . . . . 10 ASP H . 25561 1 33 . 1 1 10 10 ASP CA C 13 56.4 0.3 . 1 . . . . 10 ASP CA . 25561 1 34 . 1 1 10 10 ASP CB C 13 38.9 0.3 . 1 . . . . 10 ASP CB . 25561 1 35 . 1 1 10 10 ASP N N 15 115.6 0.3 . 1 . . . . 10 ASP N . 25561 1 36 . 1 1 11 11 ALA H H 1 7.71 0.02 . 1 . . . . 11 ALA H . 25561 1 37 . 1 1 11 11 ALA CA C 13 55.5 0.3 . 1 . . . . 11 ALA CA . 25561 1 38 . 1 1 11 11 ALA CB C 13 18.1 0.3 . 1 . . . . 11 ALA CB . 25561 1 39 . 1 1 11 11 ALA N N 15 120.4 0.3 . 1 . . . . 11 ALA N . 25561 1 40 . 1 1 12 12 LEU H H 1 8.39 0.02 . 1 . . . . 12 LEU H . 25561 1 41 . 1 1 12 12 LEU CA C 13 57.9 0.3 . 1 . . . . 12 LEU CA . 25561 1 42 . 1 1 12 12 LEU CB C 13 41.5 0.3 . 1 . . . . 12 LEU CB . 25561 1 43 . 1 1 12 12 LEU N N 15 115.1 0.3 . 1 . . . . 12 LEU N . 25561 1 44 . 1 1 13 13 GLU H H 1 8.69 0.02 . 1 . . . . 13 GLU H . 25561 1 45 . 1 1 13 13 GLU CA C 13 58.1 0.3 . 1 . . . . 13 GLU CA . 25561 1 46 . 1 1 13 13 GLU CB C 13 28.2 0.3 . 1 . . . . 13 GLU CB . 25561 1 47 . 1 1 13 13 GLU N N 15 116.7 0.3 . 1 . . . . 13 GLU N . 25561 1 48 . 1 1 14 14 ASN H H 1 7.32 0.02 . 1 . . . . 14 ASN H . 25561 1 49 . 1 1 14 14 ASN CA C 13 54.0 0.3 . 1 . . . . 14 ASN CA . 25561 1 50 . 1 1 14 14 ASN CB C 13 40.4 0.3 . 1 . . . . 14 ASN CB . 25561 1 51 . 1 1 14 14 ASN N N 15 116.1 0.3 . 1 . . . . 14 ASN N . 25561 1 52 . 1 1 15 15 LEU H H 1 7.00 0.02 . 1 . . . . 15 LEU H . 25561 1 53 . 1 1 15 15 LEU CA C 13 54.8 0.3 . 1 . . . . 15 LEU CA . 25561 1 54 . 1 1 15 15 LEU CB C 13 41.5 0.3 . 1 . . . . 15 LEU CB . 25561 1 55 . 1 1 15 15 LEU N N 15 119.2 0.3 . 1 . . . . 15 LEU N . 25561 1 56 . 1 1 16 16 SER H H 1 8.41 0.02 . 1 . . . . 16 SER H . 25561 1 57 . 1 1 16 16 SER CA C 13 57.3 0.3 . 1 . . . . 16 SER CA . 25561 1 58 . 1 1 16 16 SER CB C 13 65.2 0.3 . 1 . . . . 16 SER CB . 25561 1 59 . 1 1 16 16 SER N N 15 118.3 0.3 . 1 . . . . 16 SER N . 25561 1 60 . 1 1 17 17 GLY H H 1 9.03 0.02 . 1 . . . . 17 GLY H . 25561 1 61 . 1 1 17 17 GLY CA C 13 48.0 0.3 . 1 . . . . 17 GLY CA . 25561 1 62 . 1 1 17 17 GLY N N 15 109.1 0.3 . 1 . . . . 17 GLY N . 25561 1 63 . 1 1 18 18 ASP H H 1 8.61 0.02 . 1 . . . . 18 ASP H . 25561 1 64 . 1 1 18 18 ASP CA C 13 57.2 0.3 . 1 . . . . 18 ASP CA . 25561 1 65 . 1 1 18 18 ASP CB C 13 40.8 0.3 . 1 . . . . 18 ASP CB . 25561 1 66 . 1 1 18 18 ASP N N 15 121.0 0.3 . 1 . . . . 18 ASP N . 25561 1 67 . 1 1 19 19 GLU H H 1 7.77 0.02 . 1 . . . . 19 GLU H . 25561 1 68 . 1 1 19 19 GLU CA C 13 58.6 0.3 . 1 . . . . 19 GLU CA . 25561 1 69 . 1 1 19 19 GLU CB C 13 29.9 0.3 . 1 . . . . 19 GLU CB . 25561 1 70 . 1 1 19 19 GLU N N 15 119.5 0.3 . 1 . . . . 19 GLU N . 25561 1 71 . 1 1 20 20 LEU H H 1 9.02 0.02 . 1 . . . . 20 LEU H . 25561 1 72 . 1 1 20 20 LEU CA C 13 58.4 0.3 . 1 . . . . 20 LEU CA . 25561 1 73 . 1 1 20 20 LEU CB C 13 40.8 0.3 . 1 . . . . 20 LEU CB . 25561 1 74 . 1 1 20 20 LEU N N 15 122.2 0.3 . 1 . . . . 20 LEU N . 25561 1 75 . 1 1 21 21 LYS H H 1 7.63 0.02 . 1 . . . . 21 LYS H . 25561 1 76 . 1 1 21 21 LYS CA C 13 60.7 0.3 . 1 . . . . 21 LYS CA . 25561 1 77 . 1 1 21 21 LYS CB C 13 32.3 0.3 . 1 . . . . 21 LYS CB . 25561 1 78 . 1 1 21 21 LYS N N 15 118.8 0.3 . 1 . . . . 21 LYS N . 25561 1 79 . 1 1 22 22 LYS H H 1 7.63 0.02 . 1 . . . . 22 LYS H . 25561 1 80 . 1 1 22 22 LYS CA C 13 60.1 0.3 . 1 . . . . 22 LYS CA . 25561 1 81 . 1 1 22 22 LYS CB C 13 32.9 0.3 . 1 . . . . 22 LYS CB . 25561 1 82 . 1 1 22 22 LYS N N 15 119.2 0.3 . 1 . . . . 22 LYS N . 25561 1 83 . 1 1 23 23 PHE H H 1 8.73 0.02 . 1 . . . . 23 PHE H . 25561 1 84 . 1 1 23 23 PHE CA C 13 61.8 0.3 . 1 . . . . 23 PHE CA . 25561 1 85 . 1 1 23 23 PHE CB C 13 39.8 0.3 . 1 . . . . 23 PHE CB . 25561 1 86 . 1 1 23 23 PHE N N 15 122.6 0.3 . 1 . . . . 23 PHE N . 25561 1 87 . 1 1 24 24 LYS H H 1 8.16 0.02 . 1 . . . . 24 LYS H . 25561 1 88 . 1 1 24 24 LYS CA C 13 60.7 0.3 . 1 . . . . 24 LYS CA . 25561 1 89 . 1 1 24 24 LYS CB C 13 33.4 0.3 . 1 . . . . 24 LYS CB . 25561 1 90 . 1 1 24 24 LYS N N 15 117.1 0.3 . 1 . . . . 24 LYS N . 25561 1 91 . 1 1 25 25 MET H H 1 7.86 0.02 . 1 . . . . 25 MET H . 25561 1 92 . 1 1 25 25 MET CA C 13 58.0 0.3 . 1 . . . . 25 MET CA . 25561 1 93 . 1 1 25 25 MET CB C 13 31.8 0.3 . 1 . . . . 25 MET CB . 25561 1 94 . 1 1 25 25 MET N N 15 114.2 0.3 . 1 . . . . 25 MET N . 25561 1 95 . 1 1 26 26 LYS H H 1 8.06 0.02 . 1 . . . . 26 LYS H . 25561 1 96 . 1 1 26 26 LYS CA C 13 57.7 0.3 . 1 . . . . 26 LYS CA . 25561 1 97 . 1 1 26 26 LYS CB C 13 32.0 0.3 . 1 . . . . 26 LYS CB . 25561 1 98 . 1 1 26 26 LYS N N 15 120.3 0.3 . 1 . . . . 26 LYS N . 25561 1 99 . 1 1 27 27 LEU H H 1 7.90 0.02 . 1 . . . . 27 LEU H . 25561 1 100 . 1 1 27 27 LEU CA C 13 57.3 0.3 . 1 . . . . 27 LEU CA . 25561 1 101 . 1 1 27 27 LEU CB C 13 41.4 0.3 . 1 . . . . 27 LEU CB . 25561 1 102 . 1 1 27 27 LEU N N 15 120.6 0.3 . 1 . . . . 27 LEU N . 25561 1 103 . 1 1 28 28 LEU H H 1 7.32 0.02 . 1 . . . . 28 LEU H . 25561 1 104 . 1 1 28 28 LEU CA C 13 56.9 0.3 . 1 . . . . 28 LEU CA . 25561 1 105 . 1 1 28 28 LEU CB C 13 42.4 0.3 . 1 . . . . 28 LEU CB . 25561 1 106 . 1 1 28 28 LEU N N 15 116.1 0.3 . 1 . . . . 28 LEU N . 25561 1 107 . 1 1 29 29 THR H H 1 7.33 0.02 . 1 . . . . 29 THR H . 25561 1 108 . 1 1 29 29 THR CA C 13 61.7 0.3 . 1 . . . . 29 THR CA . 25561 1 109 . 1 1 29 29 THR CB C 13 71.0 0.3 . 1 . . . . 29 THR CB . 25561 1 110 . 1 1 29 29 THR N N 15 105.9 0.3 . 1 . . . . 29 THR N . 25561 1 111 . 1 1 30 30 VAL H H 1 7.82 0.02 . 1 . . . . 30 VAL H . 25561 1 112 . 1 1 30 30 VAL CA C 13 62.2 0.3 . 1 . . . . 30 VAL CA . 25561 1 113 . 1 1 30 30 VAL CB C 13 32.0 0.3 . 1 . . . . 30 VAL CB . 25561 1 114 . 1 1 30 30 VAL N N 15 123.4 0.3 . 1 . . . . 30 VAL N . 25561 1 115 . 1 1 31 31 GLN H H 1 8.41 0.02 . 1 . . . . 31 GLN H . 25561 1 116 . 1 1 31 31 GLN CA C 13 57.2 0.3 . 1 . . . . 31 GLN CA . 25561 1 117 . 1 1 31 31 GLN CB C 13 28.7 0.3 . 1 . . . . 31 GLN CB . 25561 1 118 . 1 1 31 31 GLN N N 15 126.3 0.3 . 1 . . . . 31 GLN N . 25561 1 119 . 1 1 32 32 LEU H H 1 8.37 0.02 . 1 . . . . 32 LEU H . 25561 1 120 . 1 1 32 32 LEU CA C 13 53.3 0.3 . 1 . . . . 32 LEU CA . 25561 1 121 . 1 1 32 32 LEU CB C 13 45.8 0.3 . 1 . . . . 32 LEU CB . 25561 1 122 . 1 1 32 32 LEU N N 15 126.1 0.3 . 1 . . . . 32 LEU N . 25561 1 123 . 1 1 33 33 ARG H H 1 7.66 0.02 . 1 . . . . 33 ARG H . 25561 1 124 . 1 1 33 33 ARG CA C 13 56.8 0.3 . 1 . . . . 33 ARG CA . 25561 1 125 . 1 1 33 33 ARG CB C 13 32.1 0.3 . 1 . . . . 33 ARG CB . 25561 1 126 . 1 1 33 33 ARG N N 15 121.6 0.3 . 1 . . . . 33 ARG N . 25561 1 127 . 1 1 34 34 GLU H H 1 8.49 0.02 . 1 . . . . 34 GLU H . 25561 1 128 . 1 1 34 34 GLU CA C 13 58.0 0.3 . 1 . . . . 34 GLU CA . 25561 1 129 . 1 1 34 34 GLU CB C 13 28.7 0.3 . 1 . . . . 34 GLU CB . 25561 1 130 . 1 1 34 34 GLU N N 15 122.3 0.3 . 1 . . . . 34 GLU N . 25561 1 131 . 1 1 35 35 GLY H H 1 8.73 0.02 . 1 . . . . 35 GLY H . 25561 1 132 . 1 1 35 35 GLY CA C 13 45.0 0.3 . 1 . . . . 35 GLY CA . 25561 1 133 . 1 1 35 35 GLY N N 15 111.4 0.3 . 1 . . . . 35 GLY N . 25561 1 134 . 1 1 36 36 TYR H H 1 7.42 0.02 . 1 . . . . 36 TYR H . 25561 1 135 . 1 1 36 36 TYR CA C 13 58.4 0.3 . 1 . . . . 36 TYR CA . 25561 1 136 . 1 1 36 36 TYR CB C 13 41.2 0.3 . 1 . . . . 36 TYR CB . 25561 1 137 . 1 1 36 36 TYR N N 15 118.0 0.3 . 1 . . . . 36 TYR N . 25561 1 138 . 1 1 37 37 GLY H H 1 9.03 0.02 . 1 . . . . 37 GLY H . 25561 1 139 . 1 1 37 37 GLY CA C 13 44.0 0.3 . 1 . . . . 37 GLY CA . 25561 1 140 . 1 1 37 37 GLY N N 15 109.2 0.3 . 1 . . . . 37 GLY N . 25561 1 141 . 1 1 38 38 ARG H H 1 8.47 0.02 . 1 . . . . 38 ARG H . 25561 1 142 . 1 1 38 38 ARG CA C 13 54.2 0.3 . 1 . . . . 38 ARG CA . 25561 1 143 . 1 1 38 38 ARG CB C 13 31.8 0.3 . 1 . . . . 38 ARG CB . 25561 1 144 . 1 1 38 38 ARG N N 15 118.6 0.3 . 1 . . . . 38 ARG N . 25561 1 145 . 1 1 39 39 ILE H H 1 8.24 0.02 . 1 . . . . 39 ILE H . 25561 1 146 . 1 1 39 39 ILE CA C 13 60.3 0.3 . 1 . . . . 39 ILE CA . 25561 1 147 . 1 1 39 39 ILE CB C 13 39.0 0.3 . 1 . . . . 39 ILE CB . 25561 1 148 . 1 1 39 39 ILE N N 15 128.7 0.3 . 1 . . . . 39 ILE N . 25561 1 149 . 1 1 41 41 ARG H H 1 8.33 0.02 . 1 . . . . 41 ARG H . 25561 1 150 . 1 1 41 41 ARG CA C 13 60.4 0.3 . 1 . . . . 41 ARG CA . 25561 1 151 . 1 1 41 41 ARG CB C 13 30.9 0.3 . 1 . . . . 41 ARG CB . 25561 1 152 . 1 1 41 41 ARG N N 15 124.2 0.3 . 1 . . . . 41 ARG N . 25561 1 153 . 1 1 42 42 GLY H H 1 8.78 0.02 . 1 . . . . 42 GLY H . 25561 1 154 . 1 1 42 42 GLY CA C 13 47.2 0.3 . 1 . . . . 42 GLY CA . 25561 1 155 . 1 1 42 42 GLY N N 15 105.1 0.3 . 1 . . . . 42 GLY N . 25561 1 156 . 1 1 43 43 ALA H H 1 7.19 0.02 . 1 . . . . 43 ALA H . 25561 1 157 . 1 1 43 43 ALA CA C 13 53.9 0.3 . 1 . . . . 43 ALA CA . 25561 1 158 . 1 1 43 43 ALA CB C 13 18.7 0.3 . 1 . . . . 43 ALA CB . 25561 1 159 . 1 1 43 43 ALA N N 15 121.9 0.3 . 1 . . . . 43 ALA N . 25561 1 160 . 1 1 44 44 LEU H H 1 8.00 0.02 . 1 . . . . 44 LEU H . 25561 1 161 . 1 1 44 44 LEU CA C 13 57.6 0.3 . 1 . . . . 44 LEU CA . 25561 1 162 . 1 1 44 44 LEU CB C 13 43.2 0.3 . 1 . . . . 44 LEU CB . 25561 1 163 . 1 1 44 44 LEU N N 15 118.2 0.3 . 1 . . . . 44 LEU N . 25561 1 164 . 1 1 45 45 LEU H H 1 7.91 0.02 . 1 . . . . 45 LEU H . 25561 1 165 . 1 1 45 45 LEU CA C 13 58.7 0.3 . 1 . . . . 45 LEU CA . 25561 1 166 . 1 1 45 45 LEU CB C 13 41.4 0.3 . 1 . . . . 45 LEU CB . 25561 1 167 . 1 1 45 45 LEU N N 15 116.0 0.3 . 1 . . . . 45 LEU N . 25561 1 168 . 1 1 46 46 GLN H H 1 7.53 0.02 . 1 . . . . 46 GLN H . 25561 1 169 . 1 1 46 46 GLN CA C 13 55.9 0.3 . 1 . . . . 46 GLN CA . 25561 1 170 . 1 1 46 46 GLN CB C 13 29.7 0.3 . 1 . . . . 46 GLN CB . 25561 1 171 . 1 1 46 46 GLN N N 15 115.0 0.3 . 1 . . . . 46 GLN N . 25561 1 172 . 1 1 47 47 MET H H 1 7.22 0.02 . 1 . . . . 47 MET H . 25561 1 173 . 1 1 47 47 MET CA C 13 58.4 0.3 . 1 . . . . 47 MET CA . 25561 1 174 . 1 1 47 47 MET CB C 13 34.9 0.3 . 1 . . . . 47 MET CB . 25561 1 175 . 1 1 47 47 MET N N 15 117.9 0.3 . 1 . . . . 47 MET N . 25561 1 176 . 1 1 48 48 ASP H H 1 8.67 0.02 . 1 . . . . 48 ASP H . 25561 1 177 . 1 1 48 48 ASP CA C 13 51.3 0.3 . 1 . . . . 48 ASP CA . 25561 1 178 . 1 1 48 48 ASP CB C 13 39.1 0.3 . 1 . . . . 48 ASP CB . 25561 1 179 . 1 1 48 48 ASP N N 15 121.9 0.3 . 1 . . . . 48 ASP N . 25561 1 180 . 1 1 49 49 ALA H H 1 8.63 0.02 . 1 . . . . 49 ALA H . 25561 1 181 . 1 1 49 49 ALA CA C 13 56.6 0.3 . 1 . . . . 49 ALA CA . 25561 1 182 . 1 1 49 49 ALA CB C 13 18.4 0.3 . 1 . . . . 49 ALA CB . 25561 1 183 . 1 1 49 49 ALA N N 15 118.4 0.3 . 1 . . . . 49 ALA N . 25561 1 184 . 1 1 50 50 ILE H H 1 7.73 0.02 . 1 . . . . 50 ILE H . 25561 1 185 . 1 1 50 50 ILE CA C 13 65.7 0.3 . 1 . . . . 50 ILE CA . 25561 1 186 . 1 1 50 50 ILE CB C 13 38.2 0.3 . 1 . . . . 50 ILE CB . 25561 1 187 . 1 1 50 50 ILE N N 15 119.9 0.3 . 1 . . . . 50 ILE N . 25561 1 188 . 1 1 51 51 ASP H H 1 8.12 0.02 . 1 . . . . 51 ASP H . 25561 1 189 . 1 1 51 51 ASP CA C 13 57.1 0.3 . 1 . . . . 51 ASP CA . 25561 1 190 . 1 1 51 51 ASP CB C 13 39.6 0.3 . 1 . . . . 51 ASP CB . 25561 1 191 . 1 1 51 51 ASP N N 15 119.8 0.3 . 1 . . . . 51 ASP N . 25561 1 192 . 1 1 52 52 LEU H H 1 8.73 0.02 . 1 . . . . 52 LEU H . 25561 1 193 . 1 1 52 52 LEU CA C 13 58.0 0.3 . 1 . . . . 52 LEU CA . 25561 1 194 . 1 1 52 52 LEU CB C 13 42.2 0.3 . 1 . . . . 52 LEU CB . 25561 1 195 . 1 1 52 52 LEU N N 15 120.5 0.3 . 1 . . . . 52 LEU N . 25561 1 196 . 1 1 53 53 THR H H 1 7.90 0.02 . 1 . . . . 53 THR H . 25561 1 197 . 1 1 53 53 THR CA C 13 69.2 0.3 . 1 . . . . 53 THR CA . 25561 1 198 . 1 1 53 53 THR CB C 13 68.3 0.3 . 1 . . . . 53 THR CB . 25561 1 199 . 1 1 53 53 THR N N 15 117.6 0.3 . 1 . . . . 53 THR N . 25561 1 200 . 1 1 54 54 ASP H H 1 7.78 0.02 . 1 . . . . 54 ASP H . 25561 1 201 . 1 1 54 54 ASP CA C 13 57.1 0.3 . 1 . . . . 54 ASP CA . 25561 1 202 . 1 1 54 54 ASP CB C 13 39.0 0.3 . 1 . . . . 54 ASP CB . 25561 1 203 . 1 1 54 54 ASP N N 15 118.1 0.3 . 1 . . . . 54 ASP N . 25561 1 204 . 1 1 55 55 LYS H H 1 8.40 0.02 . 1 . . . . 55 LYS H . 25561 1 205 . 1 1 55 55 LYS CA C 13 58.0 0.3 . 1 . . . . 55 LYS CA . 25561 1 206 . 1 1 55 55 LYS CB C 13 31.6 0.3 . 1 . . . . 55 LYS CB . 25561 1 207 . 1 1 55 55 LYS N N 15 122.5 0.3 . 1 . . . . 55 LYS N . 25561 1 208 . 1 1 56 56 LEU H H 1 8.98 0.02 . 1 . . . . 56 LEU H . 25561 1 209 . 1 1 56 56 LEU CA C 13 58.9 0.3 . 1 . . . . 56 LEU CA . 25561 1 210 . 1 1 56 56 LEU CB C 13 42.8 0.3 . 1 . . . . 56 LEU CB . 25561 1 211 . 1 1 56 56 LEU N N 15 120.8 0.3 . 1 . . . . 56 LEU N . 25561 1 212 . 1 1 57 57 VAL H H 1 7.95 0.02 . 1 . . . . 57 VAL H . 25561 1 213 . 1 1 57 57 VAL CA C 13 66.3 0.3 . 1 . . . . 57 VAL CA . 25561 1 214 . 1 1 57 57 VAL CB C 13 31.5 0.3 . 1 . . . . 57 VAL CB . 25561 1 215 . 1 1 57 57 VAL N N 15 115.0 0.3 . 1 . . . . 57 VAL N . 25561 1 216 . 1 1 58 58 SER H H 1 8.26 0.02 . 1 . . . . 58 SER H . 25561 1 217 . 1 1 58 58 SER CA C 13 61.7 0.3 . 1 . . . . 58 SER CA . 25561 1 218 . 1 1 58 58 SER CB C 13 63.5 0.3 . 1 . . . . 58 SER CB . 25561 1 219 . 1 1 58 58 SER N N 15 117.2 0.3 . 1 . . . . 58 SER N . 25561 1 220 . 1 1 59 59 TYR H H 1 8.44 0.02 . 1 . . . . 59 TYR H . 25561 1 221 . 1 1 59 59 TYR CA C 13 61.5 0.3 . 1 . . . . 59 TYR CA . 25561 1 222 . 1 1 59 59 TYR CB C 13 38.1 0.3 . 1 . . . . 59 TYR CB . 25561 1 223 . 1 1 59 59 TYR N N 15 119.4 0.3 . 1 . . . . 59 TYR N . 25561 1 224 . 1 1 60 60 TYR H H 1 7.95 0.02 . 1 . . . . 60 TYR H . 25561 1 225 . 1 1 60 60 TYR CA C 13 58.6 0.3 . 1 . . . . 60 TYR CA . 25561 1 226 . 1 1 60 60 TYR CB C 13 39.0 0.3 . 1 . . . . 60 TYR CB . 25561 1 227 . 1 1 60 60 TYR N N 15 116.0 0.3 . 1 . . . . 60 TYR N . 25561 1 228 . 1 1 61 61 LEU H H 1 7.45 0.02 . 1 . . . . 61 LEU H . 25561 1 229 . 1 1 61 61 LEU CA C 13 57.4 0.3 . 1 . . . . 61 LEU CA . 25561 1 230 . 1 1 61 61 LEU CB C 13 40.9 0.3 . 1 . . . . 61 LEU CB . 25561 1 231 . 1 1 61 61 LEU N N 15 111.9 0.3 . 1 . . . . 61 LEU N . 25561 1 232 . 1 1 62 62 GLU H H 1 8.32 0.02 . 1 . . . . 62 GLU H . 25561 1 233 . 1 1 62 62 GLU CA C 13 61.8 0.3 . 1 . . . . 62 GLU CA . 25561 1 234 . 1 1 62 62 GLU CB C 13 29.7 0.3 . 1 . . . . 62 GLU CB . 25561 1 235 . 1 1 62 62 GLU N N 15 116.3 0.3 . 1 . . . . 62 GLU N . 25561 1 236 . 1 1 63 63 SER H H 1 8.13 0.02 . 1 . . . . 63 SER H . 25561 1 237 . 1 1 63 63 SER CA C 13 61.5 0.3 . 1 . . . . 63 SER CA . 25561 1 238 . 1 1 63 63 SER CB C 13 62.4 0.3 . 1 . . . . 63 SER CB . 25561 1 239 . 1 1 63 63 SER N N 15 111.4 0.3 . 1 . . . . 63 SER N . 25561 1 240 . 1 1 64 64 TYR H H 1 8.40 0.02 . 1 . . . . 64 TYR H . 25561 1 241 . 1 1 64 64 TYR CA C 13 58.5 0.3 . 1 . . . . 64 TYR CA . 25561 1 242 . 1 1 64 64 TYR CB C 13 36.1 0.3 . 1 . . . . 64 TYR CB . 25561 1 243 . 1 1 64 64 TYR N N 15 123.0 0.3 . 1 . . . . 64 TYR N . 25561 1 244 . 1 1 65 65 GLY H H 1 8.04 0.02 . 1 . . . . 65 GLY H . 25561 1 245 . 1 1 65 65 GLY CA C 13 47.8 0.3 . 1 . . . . 65 GLY CA . 25561 1 246 . 1 1 65 65 GLY N N 15 108.1 0.3 . 1 . . . . 65 GLY N . 25561 1 247 . 1 1 66 66 LEU H H 1 7.81 0.02 . 1 . . . . 66 LEU H . 25561 1 248 . 1 1 66 66 LEU CA C 13 59.4 0.3 . 1 . . . . 66 LEU CA . 25561 1 249 . 1 1 66 66 LEU CB C 13 42.1 0.3 . 1 . . . . 66 LEU CB . 25561 1 250 . 1 1 66 66 LEU N N 15 123.9 0.3 . 1 . . . . 66 LEU N . 25561 1 251 . 1 1 67 67 GLU H H 1 7.60 0.02 . 1 . . . . 67 GLU H . 25561 1 252 . 1 1 67 67 GLU CA C 13 59.9 0.3 . 1 . . . . 67 GLU CA . 25561 1 253 . 1 1 67 67 GLU CB C 13 29.0 0.3 . 1 . . . . 67 GLU CB . 25561 1 254 . 1 1 67 67 GLU N N 15 120.3 0.3 . 1 . . . . 67 GLU N . 25561 1 255 . 1 1 68 68 LEU H H 1 9.11 0.02 . 1 . . . . 68 LEU H . 25561 1 256 . 1 1 68 68 LEU CA C 13 58.1 0.3 . 1 . . . . 68 LEU CA . 25561 1 257 . 1 1 68 68 LEU CB C 13 42.3 0.3 . 1 . . . . 68 LEU CB . 25561 1 258 . 1 1 68 68 LEU N N 15 122.5 0.3 . 1 . . . . 68 LEU N . 25561 1 259 . 1 1 69 69 THR H H 1 7.62 0.02 . 1 . . . . 69 THR H . 25561 1 260 . 1 1 69 69 THR CA C 13 69.2 0.3 . 1 . . . . 69 THR CA . 25561 1 261 . 1 1 69 69 THR CB C 13 68.3 0.3 . 1 . . . . 69 THR CB . 25561 1 262 . 1 1 69 69 THR N N 15 115.9 0.3 . 1 . . . . 69 THR N . 25561 1 263 . 1 1 70 70 MET H H 1 8.33 0.02 . 1 . . . . 70 MET H . 25561 1 264 . 1 1 70 70 MET CA C 13 60.8 0.3 . 1 . . . . 70 MET CA . 25561 1 265 . 1 1 70 70 MET CB C 13 33.6 0.3 . 1 . . . . 70 MET CB . 25561 1 266 . 1 1 70 70 MET N N 15 119.0 0.3 . 1 . . . . 70 MET N . 25561 1 267 . 1 1 71 71 THR H H 1 8.25 0.02 . 1 . . . . 71 THR H . 25561 1 268 . 1 1 71 71 THR CA C 13 67.4 0.3 . 1 . . . . 71 THR CA . 25561 1 269 . 1 1 71 71 THR CB C 13 69.0 0.3 . 1 . . . . 71 THR CB . 25561 1 270 . 1 1 71 71 THR N N 15 116.9 0.3 . 1 . . . . 71 THR N . 25561 1 271 . 1 1 72 72 VAL H H 1 8.31 0.02 . 1 . . . . 72 VAL H . 25561 1 272 . 1 1 72 72 VAL CA C 13 67.9 0.3 . 1 . . . . 72 VAL CA . 25561 1 273 . 1 1 72 72 VAL CB C 13 31.3 0.3 . 1 . . . . 72 VAL CB . 25561 1 274 . 1 1 72 72 VAL N N 15 122.2 0.3 . 1 . . . . 72 VAL N . 25561 1 275 . 1 1 73 73 LEU H H 1 8.33 0.02 . 1 . . . . 73 LEU H . 25561 1 276 . 1 1 73 73 LEU CA C 13 58.7 0.3 . 1 . . . . 73 LEU CA . 25561 1 277 . 1 1 73 73 LEU CB C 13 41.6 0.3 . 1 . . . . 73 LEU CB . 25561 1 278 . 1 1 73 73 LEU N N 15 117.9 0.3 . 1 . . . . 73 LEU N . 25561 1 279 . 1 1 74 74 ARG H H 1 8.38 0.02 . 1 . . . . 74 ARG H . 25561 1 280 . 1 1 74 74 ARG CA C 13 60.9 0.3 . 1 . . . . 74 ARG CA . 25561 1 281 . 1 1 74 74 ARG CB C 13 29.8 0.3 . 1 . . . . 74 ARG CB . 25561 1 282 . 1 1 74 74 ARG N N 15 118.9 0.3 . 1 . . . . 74 ARG N . 25561 1 283 . 1 1 75 75 ASP H H 1 8.31 0.02 . 1 . . . . 75 ASP H . 25561 1 284 . 1 1 75 75 ASP CA C 13 56.3 0.3 . 1 . . . . 75 ASP CA . 25561 1 285 . 1 1 75 75 ASP CB C 13 38.8 0.3 . 1 . . . . 75 ASP CB . 25561 1 286 . 1 1 75 75 ASP N N 15 121.5 0.3 . 1 . . . . 75 ASP N . 25561 1 287 . 1 1 76 76 MET H H 1 7.90 0.02 . 1 . . . . 76 MET H . 25561 1 288 . 1 1 76 76 MET CA C 13 57.0 0.3 . 1 . . . . 76 MET CA . 25561 1 289 . 1 1 76 76 MET CB C 13 35.4 0.3 . 1 . . . . 76 MET CB . 25561 1 290 . 1 1 76 76 MET N N 15 116.9 0.3 . 1 . . . . 76 MET N . 25561 1 291 . 1 1 77 77 GLY H H 1 7.91 0.02 . 1 . . . . 77 GLY H . 25561 1 292 . 1 1 77 77 GLY CA C 13 45.8 0.3 . 1 . . . . 77 GLY CA . 25561 1 293 . 1 1 77 77 GLY N N 15 107.3 0.3 . 1 . . . . 77 GLY N . 25561 1 294 . 1 1 78 78 LEU H H 1 8.06 0.02 . 1 . . . . 78 LEU H . 25561 1 295 . 1 1 78 78 LEU CA C 13 53.2 0.3 . 1 . . . . 78 LEU CA . 25561 1 296 . 1 1 78 78 LEU CB C 13 39.3 0.3 . 1 . . . . 78 LEU CB . 25561 1 297 . 1 1 78 78 LEU N N 15 124.2 0.3 . 1 . . . . 78 LEU N . 25561 1 298 . 1 1 79 79 GLN H H 1 7.81 0.02 . 1 . . . . 79 GLN H . 25561 1 299 . 1 1 79 79 GLN CA C 13 59.8 0.3 . 1 . . . . 79 GLN CA . 25561 1 300 . 1 1 79 79 GLN CB C 13 28.3 0.3 . 1 . . . . 79 GLN CB . 25561 1 301 . 1 1 79 79 GLN N N 15 119.3 0.3 . 1 . . . . 79 GLN N . 25561 1 302 . 1 1 80 80 GLU H H 1 8.62 0.02 . 1 . . . . 80 GLU H . 25561 1 303 . 1 1 80 80 GLU CB C 13 27.5 0.3 . 1 . . . . 80 GLU CB . 25561 1 304 . 1 1 80 80 GLU N N 15 119.2 0.3 . 1 . . . . 80 GLU N . 25561 1 305 . 1 1 81 81 LEU H H 1 7.70 0.02 . 1 . . . . 81 LEU H . 25561 1 306 . 1 1 81 81 LEU CA C 13 57.3 0.3 . 1 . . . . 81 LEU CA . 25561 1 307 . 1 1 81 81 LEU CB C 13 42.6 0.3 . 1 . . . . 81 LEU CB . 25561 1 308 . 1 1 81 81 LEU N N 15 120.4 0.3 . 1 . . . . 81 LEU N . 25561 1 309 . 1 1 82 82 ALA H H 1 7.77 0.02 . 1 . . . . 82 ALA H . 25561 1 310 . 1 1 82 82 ALA CA C 13 55.6 0.3 . 1 . . . . 82 ALA CA . 25561 1 311 . 1 1 82 82 ALA CB C 13 18.9 0.3 . 1 . . . . 82 ALA CB . 25561 1 312 . 1 1 82 82 ALA N N 15 119.7 0.3 . 1 . . . . 82 ALA N . 25561 1 313 . 1 1 83 83 GLU H H 1 8.17 0.02 . 1 . . . . 83 GLU H . 25561 1 314 . 1 1 83 83 GLU CA C 13 58.6 0.3 . 1 . . . . 83 GLU CA . 25561 1 315 . 1 1 83 83 GLU CB C 13 28.1 0.3 . 1 . . . . 83 GLU CB . 25561 1 316 . 1 1 83 83 GLU N N 15 116.6 0.3 . 1 . . . . 83 GLU N . 25561 1 317 . 1 1 84 84 GLN CA C 13 58.5 0.3 . 1 . . . . 84 GLN CA . 25561 1 318 . 1 1 84 84 GLN CB C 13 28.5 0.3 . 1 . . . . 84 GLN CB . 25561 1 319 . 1 1 85 85 LEU H H 1 7.58 0.02 . 1 . . . . 85 LEU H . 25561 1 320 . 1 1 85 85 LEU CA C 13 57.6 0.3 . 1 . . . . 85 LEU CA . 25561 1 321 . 1 1 85 85 LEU CB C 13 41.6 0.3 . 1 . . . . 85 LEU CB . 25561 1 322 . 1 1 85 85 LEU N N 15 120.2 0.3 . 1 . . . . 85 LEU N . 25561 1 323 . 1 1 86 86 GLN H H 1 7.87 0.02 . 1 . . . . 86 GLN H . 25561 1 324 . 1 1 86 86 GLN CA C 13 58.4 0.3 . 1 . . . . 86 GLN CA . 25561 1 325 . 1 1 86 86 GLN CB C 13 28.9 0.3 . 1 . . . . 86 GLN CB . 25561 1 326 . 1 1 86 86 GLN N N 15 119.9 0.3 . 1 . . . . 86 GLN N . 25561 1 327 . 1 1 87 87 THR H H 1 7.96 0.02 . 1 . . . . 87 THR H . 25561 1 328 . 1 1 87 87 THR CA C 13 64.7 0.3 . 1 . . . . 87 THR CA . 25561 1 329 . 1 1 87 87 THR CB C 13 69.6 0.3 . 1 . . . . 87 THR CB . 25561 1 330 . 1 1 87 87 THR N N 15 113.5 0.3 . 1 . . . . 87 THR N . 25561 1 331 . 1 1 88 88 THR H H 1 7.79 0.02 . 1 . . . . 88 THR H . 25561 1 332 . 1 1 88 88 THR CA C 13 64.9 0.3 . 1 . . . . 88 THR CA . 25561 1 333 . 1 1 88 88 THR CB C 13 69.6 0.3 . 1 . . . . 88 THR CB . 25561 1 334 . 1 1 88 88 THR N N 15 117.0 0.3 . 1 . . . . 88 THR N . 25561 1 335 . 1 1 89 89 LYS H H 1 8.09 0.02 . 1 . . . . 89 LYS H . 25561 1 336 . 1 1 89 89 LYS CA C 13 58.0 0.3 . 1 . . . . 89 LYS CA . 25561 1 337 . 1 1 89 89 LYS CB C 13 32.9 0.3 . 1 . . . . 89 LYS CB . 25561 1 338 . 1 1 89 89 LYS N N 15 123.1 0.3 . 1 . . . . 89 LYS N . 25561 1 339 . 1 1 90 90 GLU H H 1 8.12 0.02 . 1 . . . . 90 GLU H . 25561 1 340 . 1 1 90 90 GLU CA C 13 56.9 0.3 . 1 . . . . 90 GLU CA . 25561 1 341 . 1 1 90 90 GLU CB C 13 29.2 0.3 . 1 . . . . 90 GLU CB . 25561 1 342 . 1 1 90 90 GLU N N 15 119.3 0.3 . 1 . . . . 90 GLU N . 25561 1 343 . 1 1 91 91 GLU H H 1 8.15 0.02 . 1 . . . . 91 GLU H . 25561 1 344 . 1 1 91 91 GLU CA C 13 56.8 0.3 . 1 . . . . 91 GLU CA . 25561 1 345 . 1 1 91 91 GLU CB C 13 29.3 0.3 . 1 . . . . 91 GLU CB . 25561 1 346 . 1 1 91 91 GLU N N 15 120.3 0.3 . 1 . . . . 91 GLU N . 25561 1 347 . 1 1 92 92 GLY H H 1 8.23 0.02 . 1 . . . . 92 GLY H . 25561 1 348 . 1 1 92 92 GLY CA C 13 45.7 0.3 . 1 . . . . 92 GLY CA . 25561 1 349 . 1 1 92 92 GLY N N 15 109.1 0.3 . 1 . . . . 92 GLY N . 25561 1 350 . 1 1 93 93 SER H H 1 8.22 0.02 . 1 . . . . 93 SER H . 25561 1 351 . 1 1 93 93 SER CA C 13 58.9 0.3 . 1 . . . . 93 SER CA . 25561 1 352 . 1 1 93 93 SER CB C 13 64.1 0.3 . 1 . . . . 93 SER CB . 25561 1 353 . 1 1 93 93 SER N N 15 115.7 0.3 . 1 . . . . 93 SER N . 25561 1 354 . 1 1 94 94 GLY H H 1 8.46 0.02 . 1 . . . . 94 GLY H . 25561 1 355 . 1 1 94 94 GLY CA C 13 45.8 0.3 . 1 . . . . 94 GLY CA . 25561 1 356 . 1 1 94 94 GLY N N 15 110.9 0.3 . 1 . . . . 94 GLY N . 25561 1 357 . 1 1 95 95 SER H H 1 8.12 0.02 . 1 . . . . 95 SER H . 25561 1 358 . 1 1 95 95 SER CA C 13 58.8 0.3 . 1 . . . . 95 SER CA . 25561 1 359 . 1 1 95 95 SER CB C 13 64.1 0.3 . 1 . . . . 95 SER CB . 25561 1 360 . 1 1 95 95 SER N N 15 115.6 0.3 . 1 . . . . 95 SER N . 25561 1 361 . 1 1 96 96 LEU H H 1 8.18 0.02 . 1 . . . . 96 LEU H . 25561 1 362 . 1 1 96 96 LEU CA C 13 55.7 0.3 . 1 . . . . 96 LEU CA . 25561 1 363 . 1 1 96 96 LEU CB C 13 42.3 0.3 . 1 . . . . 96 LEU CB . 25561 1 364 . 1 1 96 96 LEU N N 15 123.5 0.3 . 1 . . . . 96 LEU N . 25561 1 365 . 1 1 97 97 GLU H H 1 8.05 0.02 . 1 . . . . 97 GLU H . 25561 1 366 . 1 1 97 97 GLU CA C 13 56.5 0.3 . 1 . . . . 97 GLU CA . 25561 1 367 . 1 1 97 97 GLU CB C 13 29.3 0.3 . 1 . . . . 97 GLU CB . 25561 1 368 . 1 1 97 97 GLU N N 15 119.8 0.3 . 1 . . . . 97 GLU N . 25561 1 369 . 1 1 98 98 HIS H H 1 8.33 0.02 . 1 . . . . 98 HIS H . 25561 1 370 . 1 1 98 98 HIS CA C 13 55.3 0.3 . 1 . . . . 98 HIS CA . 25561 1 371 . 1 1 98 98 HIS CB C 13 29.0 0.3 . 1 . . . . 98 HIS CB . 25561 1 372 . 1 1 98 98 HIS N N 15 118.6 0.3 . 1 . . . . 98 HIS N . 25561 1 373 . 1 1 99 99 HIS H H 1 8.44 0.02 . 1 . . . . 99 HIS H . 25561 1 374 . 1 1 99 99 HIS CA C 13 55.5 0.3 . 1 . . . . 99 HIS CA . 25561 1 375 . 1 1 99 99 HIS CB C 13 29.0 0.3 . 1 . . . . 99 HIS CB . 25561 1 376 . 1 1 99 99 HIS N N 15 118.8 0.3 . 1 . . . . 99 HIS N . 25561 1 377 . 1 1 100 100 HIS H H 1 8.58 0.02 . 1 . . . . 100 HIS H . 25561 1 378 . 1 1 100 100 HIS CA C 13 55.5 0.3 . 1 . . . . 100 HIS CA . 25561 1 379 . 1 1 100 100 HIS CB C 13 29.2 0.3 . 1 . . . . 100 HIS CB . 25561 1 380 . 1 1 100 100 HIS N N 15 119.5 0.3 . 1 . . . . 100 HIS N . 25561 1 381 . 1 1 101 101 HIS H H 1 8.63 0.02 . 1 . . . . 101 HIS H . 25561 1 382 . 1 1 101 101 HIS CA C 13 55.4 0.3 . 1 . . . . 101 HIS CA . 25561 1 383 . 1 1 101 101 HIS CB C 13 29.3 0.3 . 1 . . . . 101 HIS CB . 25561 1 384 . 1 1 101 101 HIS N N 15 120.3 0.3 . 1 . . . . 101 HIS N . 25561 1 385 . 1 1 102 102 HIS H H 1 8.52 0.02 . 1 . . . . 102 HIS H . 25561 1 386 . 1 1 102 102 HIS CA C 13 55.6 0.3 . 1 . . . . 102 HIS CA . 25561 1 387 . 1 1 102 102 HIS CB C 13 29.5 0.3 . 1 . . . . 102 HIS CB . 25561 1 388 . 1 1 102 102 HIS N N 15 120.5 0.3 . 1 . . . . 102 HIS N . 25561 1 389 . 1 1 103 103 HIS H H 1 8.36 0.02 . 1 . . . . 103 HIS H . 25561 1 390 . 1 1 103 103 HIS CA C 13 57.2 0.3 . 1 . . . . 103 HIS CA . 25561 1 391 . 1 1 103 103 HIS CB C 13 29.6 0.3 . 1 . . . . 103 HIS CB . 25561 1 392 . 1 1 103 103 HIS N N 15 125.5 0.3 . 1 . . . . 103 HIS N . 25561 1 stop_ save_