data_25305 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25305 _Entry.Title ; titin M10 domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-10-29 _Entry.Accession_date 2014-10-29 _Entry.Last_release_date 2015-08-25 _Entry.Original_release_date 2015-08-25 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'human titin M10 domain' _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.Entry_ID 1 Nathan Wright . T. . 25305 2 Michael Rudloss . W. . 25305 3 Alec Woosley . N. . 25305 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25305 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 238 25305 '15N chemical shifts' 83 25305 '1H chemical shifts' 83 25305 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 . . 2015-08-25 . original BMRB . 25305 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25301 OBSC-Ig1 25305 BMRB 25303 'titin M10-obscurin-Ig1' 25305 BMRB 25304 'obscurin Ig1 bound to titin M10' 25305 BMRB 25308 'obscurin Ig58' 25305 BMRB 25406 'H56P mutant' 25305 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25305 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25739468 _Citation.Full_citation . _Citation.Title ; Biophysical characterization of naturally occurring titin M10 mutations ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 24 _Citation.Journal_issue 6 _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 946 _Citation.Page_last 955 _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.Entry_ID _Citation_author.Citation_ID 1 Michael Rudloff . W. . 25305 1 2 Alec Woosley . N. . 25305 1 3 Nathan Wright . T. . 25305 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25305 _Assembly.ID 1 _Assembly.Name 'titin M10' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 'titin M10' 1 $titin_M10 A . yes native no no . . . 25305 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_titin_M10 _Entity.Sf_category entity _Entity.Sf_framecode titin_M10 _Entity.Entry_ID 25305 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name titin_M10 _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 ; GSRGIPPKIEALPSDISIDE GKVLTVACAFTGEPTPEVTW SCGGRKIHSQEQGRFHIENT DDLTTLIIMDVQKQDGGLYT LSLGNEFGSDSATVNIHIRS I ; _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 101 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _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 GLY . 25305 1 2 2 SER . 25305 1 3 3 ARG . 25305 1 4 4 GLY . 25305 1 5 5 ILE . 25305 1 6 6 PRO . 25305 1 7 7 PRO . 25305 1 8 8 LYS . 25305 1 9 9 ILE . 25305 1 10 10 GLU . 25305 1 11 11 ALA . 25305 1 12 12 LEU . 25305 1 13 13 PRO . 25305 1 14 14 SER . 25305 1 15 15 ASP . 25305 1 16 16 ILE . 25305 1 17 17 SER . 25305 1 18 18 ILE . 25305 1 19 19 ASP . 25305 1 20 20 GLU . 25305 1 21 21 GLY . 25305 1 22 22 LYS . 25305 1 23 23 VAL . 25305 1 24 24 LEU . 25305 1 25 25 THR . 25305 1 26 26 VAL . 25305 1 27 27 ALA . 25305 1 28 28 CYS . 25305 1 29 29 ALA . 25305 1 30 30 PHE . 25305 1 31 31 THR . 25305 1 32 32 GLY . 25305 1 33 33 GLU . 25305 1 34 34 PRO . 25305 1 35 35 THR . 25305 1 36 36 PRO . 25305 1 37 37 GLU . 25305 1 38 38 VAL . 25305 1 39 39 THR . 25305 1 40 40 TRP . 25305 1 41 41 SER . 25305 1 42 42 CYS . 25305 1 43 43 GLY . 25305 1 44 44 GLY . 25305 1 45 45 ARG . 25305 1 46 46 LYS . 25305 1 47 47 ILE . 25305 1 48 48 HIS . 25305 1 49 49 SER . 25305 1 50 50 GLN . 25305 1 51 51 GLU . 25305 1 52 52 GLN . 25305 1 53 53 GLY . 25305 1 54 54 ARG . 25305 1 55 55 PHE . 25305 1 56 56 HIS . 25305 1 57 57 ILE . 25305 1 58 58 GLU . 25305 1 59 59 ASN . 25305 1 60 60 THR . 25305 1 61 61 ASP . 25305 1 62 62 ASP . 25305 1 63 63 LEU . 25305 1 64 64 THR . 25305 1 65 65 THR . 25305 1 66 66 LEU . 25305 1 67 67 ILE . 25305 1 68 68 ILE . 25305 1 69 69 MET . 25305 1 70 70 ASP . 25305 1 71 71 VAL . 25305 1 72 72 GLN . 25305 1 73 73 LYS . 25305 1 74 74 GLN . 25305 1 75 75 ASP . 25305 1 76 76 GLY . 25305 1 77 77 GLY . 25305 1 78 78 LEU . 25305 1 79 79 TYR . 25305 1 80 80 THR . 25305 1 81 81 LEU . 25305 1 82 82 SER . 25305 1 83 83 LEU . 25305 1 84 84 GLY . 25305 1 85 85 ASN . 25305 1 86 86 GLU . 25305 1 87 87 PHE . 25305 1 88 88 GLY . 25305 1 89 89 SER . 25305 1 90 90 ASP . 25305 1 91 91 SER . 25305 1 92 92 ALA . 25305 1 93 93 THR . 25305 1 94 94 VAL . 25305 1 95 95 ASN . 25305 1 96 96 ILE . 25305 1 97 97 HIS . 25305 1 98 98 ILE . 25305 1 99 99 ARG . 25305 1 100 100 SER . 25305 1 101 101 ILE . 25305 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 25305 1 . SER 2 2 25305 1 . ARG 3 3 25305 1 . GLY 4 4 25305 1 . ILE 5 5 25305 1 . PRO 6 6 25305 1 . PRO 7 7 25305 1 . LYS 8 8 25305 1 . ILE 9 9 25305 1 . GLU 10 10 25305 1 . ALA 11 11 25305 1 . LEU 12 12 25305 1 . PRO 13 13 25305 1 . SER 14 14 25305 1 . ASP 15 15 25305 1 . ILE 16 16 25305 1 . SER 17 17 25305 1 . ILE 18 18 25305 1 . ASP 19 19 25305 1 . GLU 20 20 25305 1 . GLY 21 21 25305 1 . LYS 22 22 25305 1 . VAL 23 23 25305 1 . LEU 24 24 25305 1 . THR 25 25 25305 1 . VAL 26 26 25305 1 . ALA 27 27 25305 1 . CYS 28 28 25305 1 . ALA 29 29 25305 1 . PHE 30 30 25305 1 . THR 31 31 25305 1 . GLY 32 32 25305 1 . GLU 33 33 25305 1 . PRO 34 34 25305 1 . THR 35 35 25305 1 . PRO 36 36 25305 1 . GLU 37 37 25305 1 . VAL 38 38 25305 1 . THR 39 39 25305 1 . TRP 40 40 25305 1 . SER 41 41 25305 1 . CYS 42 42 25305 1 . GLY 43 43 25305 1 . GLY 44 44 25305 1 . ARG 45 45 25305 1 . LYS 46 46 25305 1 . ILE 47 47 25305 1 . HIS 48 48 25305 1 . SER 49 49 25305 1 . GLN 50 50 25305 1 . GLU 51 51 25305 1 . GLN 52 52 25305 1 . GLY 53 53 25305 1 . ARG 54 54 25305 1 . PHE 55 55 25305 1 . HIS 56 56 25305 1 . ILE 57 57 25305 1 . GLU 58 58 25305 1 . ASN 59 59 25305 1 . THR 60 60 25305 1 . ASP 61 61 25305 1 . ASP 62 62 25305 1 . LEU 63 63 25305 1 . THR 64 64 25305 1 . THR 65 65 25305 1 . LEU 66 66 25305 1 . ILE 67 67 25305 1 . ILE 68 68 25305 1 . MET 69 69 25305 1 . ASP 70 70 25305 1 . VAL 71 71 25305 1 . GLN 72 72 25305 1 . LYS 73 73 25305 1 . GLN 74 74 25305 1 . ASP 75 75 25305 1 . GLY 76 76 25305 1 . GLY 77 77 25305 1 . LEU 78 78 25305 1 . TYR 79 79 25305 1 . THR 80 80 25305 1 . LEU 81 81 25305 1 . SER 82 82 25305 1 . LEU 83 83 25305 1 . GLY 84 84 25305 1 . ASN 85 85 25305 1 . GLU 86 86 25305 1 . PHE 87 87 25305 1 . GLY 88 88 25305 1 . SER 89 89 25305 1 . ASP 90 90 25305 1 . SER 91 91 25305 1 . ALA 92 92 25305 1 . THR 93 93 25305 1 . VAL 94 94 25305 1 . ASN 95 95 25305 1 . ILE 96 96 25305 1 . HIS 97 97 25305 1 . ILE 98 98 25305 1 . ARG 99 99 25305 1 . SER 100 100 25305 1 . ILE 101 101 25305 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 25305 _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 $titin_M10 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25305 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 25305 _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 $titin_M10 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET24a . . . 25305 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25305 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'All NMR samples were collected at 25oC in 20 mM Tris pH 7.5, 20 mM NaCl, 0.35 mM NaN3, and 0.5-2.5 mM protein with 10% D2O.' _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 'titin M10' '[U-99% 13C; U-99% 15N]' . . 1 $titin_M10 . . . 0.5 2.5 mM . . . . 25305 1 2 Tris 'natural abundance' . . . . . . 20 . . mM . . . . 25305 1 3 NaCl 'natural abundance' . . . . . . 20 . . mM . . . . 25305 1 4 NaN3 'natural abundance' . . . . . . 0.35 . . mM . . . . 25305 1 5 H20 'natural abundance' . . . . . . 90 . . % . . . . 25305 1 6 D20 'natural abundance' . . . . . . 10 . . % . . . . 25305 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 25305 _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' .02 . M 25305 1 pH 7.5 . pH 25305 1 pressure 1 . atm 25305 1 temperature 273 . K 25305 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25305 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25305 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25305 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 25305 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25305 _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 . 600 . . . 25305 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 25305 _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 . . . . . . . . . . . . . . . . 25305 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25305 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25305 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25305 1 5 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25305 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 25305 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 25305 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25305 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25305 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 25305 _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' . . . 25305 1 2 '3D CBCA(CO)NH' . . . 25305 1 3 '3D HNCACB' . . . 25305 1 4 '3D HNCO' . . . 25305 1 5 '3D HCACO' . . . 25305 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 4 4 GLY H H 1 7.406 0.002 . 1 . . . . 4 GLY H . 25305 1 2 . 1 1 4 4 GLY C C 13 172.7 0.1 . 1 . . . . 4 GLY C . 25305 1 3 . 1 1 4 4 GLY CA C 13 46.9 0.1 . 1 . . . . 4 GLY CA . 25305 1 4 . 1 1 4 4 GLY N N 15 109.9 0.01 . 1 . . . . 4 GLY N . 25305 1 5 . 1 1 5 5 ILE H H 1 9.1 0.002 . 1 . . . . 5 ILE H . 25305 1 6 . 1 1 5 5 ILE C C 13 174.0 0.1 . 1 . . . . 5 ILE C . 25305 1 7 . 1 1 5 5 ILE CA C 13 58.1 0.1 . 1 . . . . 5 ILE CA . 25305 1 8 . 1 1 5 5 ILE CB C 13 41.5 0.1 . 1 . . . . 5 ILE CB . 25305 1 9 . 1 1 5 5 ILE N N 15 121.7 0.01 . 1 . . . . 5 ILE N . 25305 1 10 . 1 1 9 9 ILE H H 1 9.519 0.002 . 1 . . . . 9 ILE H . 25305 1 11 . 1 1 9 9 ILE C C 13 176.1 0.1 . 1 . . . . 9 ILE C . 25305 1 12 . 1 1 9 9 ILE CA C 13 62.6 0.1 . 1 . . . . 9 ILE CA . 25305 1 13 . 1 1 9 9 ILE CB C 13 39.1 0.1 . 1 . . . . 9 ILE CB . 25305 1 14 . 1 1 9 9 ILE N N 15 130.0 0.01 . 1 . . . . 9 ILE N . 25305 1 15 . 1 1 10 10 GLU H H 1 8.748 0.002 . 1 . . . . 10 GLU H . 25305 1 16 . 1 1 10 10 GLU C C 13 176.1 0.1 . 1 . . . . 10 GLU C . 25305 1 17 . 1 1 10 10 GLU CA C 13 58.2 0.1 . 1 . . . . 10 GLU CA . 25305 1 18 . 1 1 10 10 GLU CB C 13 29.8 0.1 . 1 . . . . 10 GLU CB . 25305 1 19 . 1 1 10 10 GLU N N 15 129.8 0.01 . 1 . . . . 10 GLU N . 25305 1 20 . 1 1 11 11 ALA H H 1 7.46 0.002 . 1 . . . . 11 ALA H . 25305 1 21 . 1 1 11 11 ALA C C 13 175.5 0.1 . 1 . . . . 11 ALA C . 25305 1 22 . 1 1 11 11 ALA CA C 13 53.1 0.1 . 1 . . . . 11 ALA CA . 25305 1 23 . 1 1 11 11 ALA CB C 13 20.3 0.1 . 1 . . . . 11 ALA CB . 25305 1 24 . 1 1 11 11 ALA N N 15 119.1 0.01 . 1 . . . . 11 ALA N . 25305 1 25 . 1 1 12 12 LEU H H 1 8.295 0.002 . 1 . . . . 12 LEU H . 25305 1 26 . 1 1 12 12 LEU C C 13 174.3 0.1 . 1 . . . . 12 LEU C . 25305 1 27 . 1 1 12 12 LEU CB C 13 44.2 0.1 . 1 . . . . 12 LEU CB . 25305 1 28 . 1 1 12 12 LEU N N 15 125.6 0.01 . 1 . . . . 12 LEU N . 25305 1 29 . 1 1 14 14 SER H H 1 8.418 0.002 . 1 . . . . 14 SER H . 25305 1 30 . 1 1 14 14 SER C C 13 176.2 0.1 . 1 . . . . 14 SER C . 25305 1 31 . 1 1 14 14 SER CA C 13 60.6 0.1 . 1 . . . . 14 SER CA . 25305 1 32 . 1 1 14 14 SER CB C 13 64.0 0.1 . 1 . . . . 14 SER CB . 25305 1 33 . 1 1 14 14 SER N N 15 112.8 0.01 . 1 . . . . 14 SER N . 25305 1 34 . 1 1 15 15 ASP H H 1 7.691 0.002 . 1 . . . . 15 ASP H . 25305 1 35 . 1 1 15 15 ASP C C 13 174.2 0.1 . 1 . . . . 15 ASP C . 25305 1 36 . 1 1 15 15 ASP CA C 13 54.0 0.1 . 1 . . . . 15 ASP CA . 25305 1 37 . 1 1 15 15 ASP CB C 13 45.8 0.1 . 1 . . . . 15 ASP CB . 25305 1 38 . 1 1 15 15 ASP N N 15 120.6 0.01 . 1 . . . . 15 ASP N . 25305 1 39 . 1 1 16 16 ILE H H 1 8.888 0.002 . 1 . . . . 16 ILE H . 25305 1 40 . 1 1 16 16 ILE C C 13 174.0 0.1 . 1 . . . . 16 ILE C . 25305 1 41 . 1 1 16 16 ILE CA C 13 61.1 0.1 . 1 . . . . 16 ILE CA . 25305 1 42 . 1 1 16 16 ILE CB C 13 42.9 0.1 . 1 . . . . 16 ILE CB . 25305 1 43 . 1 1 16 16 ILE N N 15 122.2 0.01 . 1 . . . . 16 ILE N . 25305 1 44 . 1 1 17 17 SER H H 1 8.504 0.002 . 1 . . . . 17 SER H . 25305 1 45 . 1 1 17 17 SER C C 13 172.9 0.1 . 1 . . . . 17 SER C . 25305 1 46 . 1 1 17 17 SER CA C 13 56.9 0.1 . 1 . . . . 17 SER CA . 25305 1 47 . 1 1 17 17 SER CB C 13 65.1 0.1 . 1 . . . . 17 SER CB . 25305 1 48 . 1 1 17 17 SER N N 15 121.6 0.01 . 1 . . . . 17 SER N . 25305 1 49 . 1 1 18 18 ILE H H 1 8.770 0.002 . 1 . . . . 18 ILE H . 25305 1 50 . 1 1 18 18 ILE C C 13 172.0 0.1 . 1 . . . . 18 ILE C . 25305 1 51 . 1 1 18 18 ILE CA C 13 58.3 0.1 . 1 . . . . 18 ILE CA . 25305 1 52 . 1 1 18 18 ILE CB C 13 42.3 0.1 . 1 . . . . 18 ILE CB . 25305 1 53 . 1 1 18 18 ILE N N 15 124.1 0.01 . 1 . . . . 18 ILE N . 25305 1 54 . 1 1 19 19 ASP H H 1 7.858 0.002 . 1 . . . . 19 ASP H . 25305 1 55 . 1 1 19 19 ASP C C 13 174.7 0.1 . 1 . . . . 19 ASP C . 25305 1 56 . 1 1 19 19 ASP CA C 13 54.8 0.1 . 1 . . . . 19 ASP CA . 25305 1 57 . 1 1 19 19 ASP CB C 13 41.6 0.1 . 1 . . . . 19 ASP CB . 25305 1 58 . 1 1 19 19 ASP N N 15 126.7 0.01 . 1 . . . . 19 ASP N . 25305 1 59 . 1 1 20 20 GLU H H 1 8.107 0.002 . 1 . . . . 20 GLU H . 25305 1 60 . 1 1 20 20 GLU C C 13 176.6 0.1 . 1 . . . . 20 GLU C . 25305 1 61 . 1 1 20 20 GLU CA C 13 57.7 0.1 . 1 . . . . 20 GLU CA . 25305 1 62 . 1 1 20 20 GLU CB C 13 30.4 0.1 . 1 . . . . 20 GLU CB . 25305 1 63 . 1 1 20 20 GLU N N 15 119.3 0.01 . 1 . . . . 20 GLU N . 25305 1 64 . 1 1 21 21 GLY H H 1 9.677 0.002 . 1 . . . . 21 GLY H . 25305 1 65 . 1 1 21 21 GLY C C 13 174.9 0.1 . 1 . . . . 21 GLY C . 25305 1 66 . 1 1 21 21 GLY CA C 13 44.9 0.1 . 1 . . . . 21 GLY CA . 25305 1 67 . 1 1 21 21 GLY N N 15 113.2 0.01 . 1 . . . . 21 GLY N . 25305 1 68 . 1 1 22 22 LYS H H 1 7.321 0.002 . 1 . . . . 22 LYS H . 25305 1 69 . 1 1 22 22 LYS C C 13 173.6 0.1 . 1 . . . . 22 LYS C . 25305 1 70 . 1 1 22 22 LYS CA C 13 55.0 0.1 . 1 . . . . 22 LYS CA . 25305 1 71 . 1 1 22 22 LYS CB C 13 32.8 0.1 . 1 . . . . 22 LYS CB . 25305 1 72 . 1 1 22 22 LYS N N 15 120.4 0.01 . 1 . . . . 22 LYS N . 25305 1 73 . 1 1 23 23 VAL H H 1 7.73 0.002 . 1 . . . . 23 VAL H . 25305 1 74 . 1 1 23 23 VAL C C 13 176.2 0.1 . 1 . . . . 23 VAL C . 25305 1 75 . 1 1 23 23 VAL CA C 13 61.9 0.1 . 1 . . . . 23 VAL CA . 25305 1 76 . 1 1 23 23 VAL N N 15 116.8 0.01 . 1 . . . . 23 VAL N . 25305 1 77 . 1 1 24 24 LEU H H 1 8.955 0.002 . 1 . . . . 24 LEU H . 25305 1 78 . 1 1 24 24 LEU C C 13 174.2 0.1 . 1 . . . . 24 LEU C . 25305 1 79 . 1 1 24 24 LEU CA C 13 53.6 0.1 . 1 . . . . 24 LEU CA . 25305 1 80 . 1 1 24 24 LEU CB C 13 44.0 0.1 . 1 . . . . 24 LEU CB . 25305 1 81 . 1 1 24 24 LEU N N 15 132.1 0.01 . 1 . . . . 24 LEU N . 25305 1 82 . 1 1 25 25 THR H H 1 8.06 0.002 . 1 . . . . 25 THR H . 25305 1 83 . 1 1 25 25 THR C C 13 174.2 0.1 . 1 . . . . 25 THR C . 25305 1 84 . 1 1 25 25 THR CA C 13 61.4 0.1 . 1 . . . . 25 THR CA . 25305 1 85 . 1 1 25 25 THR CB C 13 70.5 0.1 . 1 . . . . 25 THR CB . 25305 1 86 . 1 1 25 25 THR N N 15 120.6 0.01 . 1 . . . . 25 THR N . 25305 1 87 . 1 1 26 26 VAL H H 1 9.362 0.002 . 1 . . . . 26 VAL H . 25305 1 88 . 1 1 26 26 VAL C C 13 173.9 0.1 . 1 . . . . 26 VAL C . 25305 1 89 . 1 1 26 26 VAL CA C 13 61.5 0.1 . 1 . . . . 26 VAL CA . 25305 1 90 . 1 1 26 26 VAL CB C 13 33.1 0.1 . 1 . . . . 26 VAL CB . 25305 1 91 . 1 1 26 26 VAL N N 15 128.2 0.01 . 1 . . . . 26 VAL N . 25305 1 92 . 1 1 27 27 ALA H H 1 8.473 0.002 . 1 . . . . 27 ALA H . 25305 1 93 . 1 1 27 27 ALA C C 13 177.3 0.1 . 1 . . . . 27 ALA C . 25305 1 94 . 1 1 27 27 ALA CA C 13 50.6 0.1 . 1 . . . . 27 ALA CA . 25305 1 95 . 1 1 27 27 ALA CB C 13 21.7 0.1 . 1 . . . . 27 ALA CB . 25305 1 96 . 1 1 27 27 ALA N N 15 129.6 0.01 . 1 . . . . 27 ALA N . 25305 1 97 . 1 1 28 28 CYS H H 1 9.528 0.002 . 1 . . . . 28 CYS H . 25305 1 98 . 1 1 28 28 CYS C C 13 177.3 0.1 . 1 . . . . 28 CYS C . 25305 1 99 . 1 1 28 28 CYS CA C 13 57.9 0.1 . 1 . . . . 28 CYS CA . 25305 1 100 . 1 1 28 28 CYS CB C 13 30.0 0.1 . 1 . . . . 28 CYS CB . 25305 1 101 . 1 1 28 28 CYS N N 15 123.1 0.01 . 1 . . . . 28 CYS N . 25305 1 102 . 1 1 29 29 ALA H H 1 8.844 0.002 . 1 . . . . 29 ALA H . 25305 1 103 . 1 1 29 29 ALA C C 13 176.6 0.1 . 1 . . . . 29 ALA C . 25305 1 104 . 1 1 29 29 ALA CA C 13 51.1 0.1 . 1 . . . . 29 ALA CA . 25305 1 105 . 1 1 29 29 ALA CB C 13 20.5 0.1 . 1 . . . . 29 ALA CB . 25305 1 106 . 1 1 29 29 ALA N N 15 131.7 0.01 . 1 . . . . 29 ALA N . 25305 1 107 . 1 1 30 30 PHE H H 1 7.522 0.002 . 1 . . . . 30 PHE H . 25305 1 108 . 1 1 30 30 PHE C C 13 173.8 0.1 . 1 . . . . 30 PHE C . 25305 1 109 . 1 1 30 30 PHE CA C 13 56.3 0.1 . 1 . . . . 30 PHE CA . 25305 1 110 . 1 1 30 30 PHE CB C 13 43.3 0.1 . 1 . . . . 30 PHE CB . 25305 1 111 . 1 1 30 30 PHE N N 15 115.1 0.01 . 1 . . . . 30 PHE N . 25305 1 112 . 1 1 31 31 THR H H 1 8.444 0.002 . 1 . . . . 31 THR H . 25305 1 113 . 1 1 31 31 THR C C 13 174.4 0.1 . 1 . . . . 31 THR C . 25305 1 114 . 1 1 31 31 THR CA C 13 59.8 0.1 . 1 . . . . 31 THR CA . 25305 1 115 . 1 1 31 31 THR CB C 13 72.5 0.1 . 1 . . . . 31 THR CB . 25305 1 116 . 1 1 31 31 THR N N 15 110.1 0.01 . 1 . . . . 31 THR N . 25305 1 117 . 1 1 32 32 GLY H H 1 8.359 0.002 . 1 . . . . 32 GLY H . 25305 1 118 . 1 1 32 32 GLY C C 13 171.1 0.1 . 1 . . . . 32 GLY C . 25305 1 119 . 1 1 32 32 GLY CA C 13 45.5 0.1 . 1 . . . . 32 GLY CA . 25305 1 120 . 1 1 32 32 GLY N N 15 107.5 0.01 . 1 . . . . 32 GLY N . 25305 1 121 . 1 1 35 35 THR H H 1 8.553 0.002 . 1 . . . . 35 THR H . 25305 1 122 . 1 1 35 35 THR C C 13 173.1 0.1 . 1 . . . . 35 THR C . 25305 1 123 . 1 1 35 35 THR CA C 13 62.3 0.1 . 1 . . . . 35 THR CA . 25305 1 124 . 1 1 35 35 THR CB C 13 70.3 0.1 . 1 . . . . 35 THR CB . 25305 1 125 . 1 1 35 35 THR N N 15 118.8 0.01 . 1 . . . . 35 THR N . 25305 1 126 . 1 1 37 37 GLU H H 1 8.751 0.002 . 1 . . . . 37 GLU H . 25305 1 127 . 1 1 37 37 GLU C C 13 176.6 0.1 . 1 . . . . 37 GLU C . 25305 1 128 . 1 1 37 37 GLU CA C 13 56.4 0.1 . 1 . . . . 37 GLU CA . 25305 1 129 . 1 1 37 37 GLU CB C 13 30.2 0.1 . 1 . . . . 37 GLU CB . 25305 1 130 . 1 1 37 37 GLU N N 15 120.0 0.01 . 1 . . . . 37 GLU N . 25305 1 131 . 1 1 38 38 VAL H H 1 8.579 0.002 . 1 . . . . 38 VAL H . 25305 1 132 . 1 1 38 38 VAL C C 13 176.6 0.1 . 1 . . . . 38 VAL C . 25305 1 133 . 1 1 38 38 VAL CA C 13 62.2 0.1 . 1 . . . . 38 VAL CA . 25305 1 134 . 1 1 38 38 VAL CB C 13 33.8 0.1 . 1 . . . . 38 VAL CB . 25305 1 135 . 1 1 38 38 VAL N N 15 129.6 0.01 . 1 . . . . 38 VAL N . 25305 1 136 . 1 1 40 40 TRP H H 1 9.651 0.002 . 1 . . . . 40 TRP H . 25305 1 137 . 1 1 40 40 TRP C C 13 175.9 0.1 . 1 . . . . 40 TRP C . 25305 1 138 . 1 1 40 40 TRP CA C 13 56.5 0.1 . 1 . . . . 40 TRP CA . 25305 1 139 . 1 1 40 40 TRP CB C 13 31.7 0.1 . 1 . . . . 40 TRP CB . 25305 1 140 . 1 1 40 40 TRP N N 15 130.5 0.01 . 1 . . . . 40 TRP N . 25305 1 141 . 1 1 41 41 SER H H 1 9.456 0.002 . 1 . . . . 41 SER H . 25305 1 142 . 1 1 41 41 SER C C 13 172.5 0.1 . 1 . . . . 41 SER C . 25305 1 143 . 1 1 41 41 SER CA C 13 57.0 0.1 . 1 . . . . 41 SER CA . 25305 1 144 . 1 1 41 41 SER CB C 13 66.8 0.1 . 1 . . . . 41 SER CB . 25305 1 145 . 1 1 41 41 SER N N 15 115.1 0.01 . 1 . . . . 41 SER N . 25305 1 146 . 1 1 42 42 CYS H H 1 8.56 0.002 . 1 . . . . 42 CYS H . 25305 1 147 . 1 1 42 42 CYS C C 13 176.5 0.1 . 1 . . . . 42 CYS C . 25305 1 148 . 1 1 42 42 CYS CA C 13 58.3 0.1 . 1 . . . . 42 CYS CA . 25305 1 149 . 1 1 42 42 CYS CB C 13 28.3 0.1 . 1 . . . . 42 CYS CB . 25305 1 150 . 1 1 42 42 CYS N N 15 120.5 0.01 . 1 . . . . 42 CYS N . 25305 1 151 . 1 1 45 45 ARG H H 1 7.623 0.002 . 1 . . . . 45 ARG H . 25305 1 152 . 1 1 45 45 ARG C C 13 174.8 0.1 . 1 . . . . 45 ARG C . 25305 1 153 . 1 1 45 45 ARG CA C 13 54.6 0.1 . 1 . . . . 45 ARG CA . 25305 1 154 . 1 1 45 45 ARG CB C 13 31.7 0.1 . 1 . . . . 45 ARG CB . 25305 1 155 . 1 1 45 45 ARG N N 15 121.2 0.01 . 1 . . . . 45 ARG N . 25305 1 156 . 1 1 46 46 LYS H H 1 8.489 0.002 . 1 . . . . 46 LYS H . 25305 1 157 . 1 1 46 46 LYS C C 13 175.9 0.1 . 1 . . . . 46 LYS C . 25305 1 158 . 1 1 46 46 LYS CA C 13 57.2 0.1 . 1 . . . . 46 LYS CA . 25305 1 159 . 1 1 46 46 LYS CB C 13 33.3 0.1 . 1 . . . . 46 LYS CB . 25305 1 160 . 1 1 46 46 LYS N N 15 126.1 0.01 . 1 . . . . 46 LYS N . 25305 1 161 . 1 1 47 47 ILE H H 1 8.774 0.002 . 1 . . . . 47 ILE H . 25305 1 162 . 1 1 47 47 ILE C C 13 174.3 0.1 . 1 . . . . 47 ILE C . 25305 1 163 . 1 1 47 47 ILE CA C 13 60.3 0.1 . 1 . . . . 47 ILE CA . 25305 1 164 . 1 1 47 47 ILE CB C 13 37.7 0.1 . 1 . . . . 47 ILE CB . 25305 1 165 . 1 1 47 47 ILE N N 15 126.6 0.01 . 1 . . . . 47 ILE N . 25305 1 166 . 1 1 48 48 HIS H H 1 8.182 0.002 . 1 . . . . 48 HIS H . 25305 1 167 . 1 1 48 48 HIS C C 13 175.0 0.1 . 1 . . . . 48 HIS C . 25305 1 168 . 1 1 48 48 HIS CA C 13 54.7 0.1 . 1 . . . . 48 HIS CA . 25305 1 169 . 1 1 48 48 HIS CB C 13 32.1 0.1 . 1 . . . . 48 HIS CB . 25305 1 170 . 1 1 48 48 HIS N N 15 125.3 0.01 . 1 . . . . 48 HIS N . 25305 1 171 . 1 1 52 52 GLN H H 1 7.993 0.002 . 1 . . . . 52 GLN H . 25305 1 172 . 1 1 52 52 GLN C C 13 175.9 0.1 . 1 . . . . 52 GLN C . 25305 1 173 . 1 1 52 52 GLN CA C 13 55.0 0.1 . 1 . . . . 52 GLN CA . 25305 1 174 . 1 1 52 52 GLN CB C 13 35.7 0.1 . 1 . . . . 52 GLN CB . 25305 1 175 . 1 1 52 52 GLN N N 15 119.8 0.01 . 1 . . . . 52 GLN N . 25305 1 176 . 1 1 53 53 GLY H H 1 7.975 0.002 . 1 . . . . 53 GLY H . 25305 1 177 . 1 1 53 53 GLY C C 13 174.3 0.1 . 1 . . . . 53 GLY C . 25305 1 178 . 1 1 53 53 GLY CA C 13 45.1 0.1 . 1 . . . . 53 GLY CA . 25305 1 179 . 1 1 53 53 GLY N N 15 108.5 0.01 . 1 . . . . 53 GLY N . 25305 1 180 . 1 1 55 55 PHE H H 1 7.751 0.002 . 1 . . . . 55 PHE H . 25305 1 181 . 1 1 55 55 PHE C C 13 175.3 0.1 . 1 . . . . 55 PHE C . 25305 1 182 . 1 1 55 55 PHE CA C 13 57.0 0.1 . 1 . . . . 55 PHE CA . 25305 1 183 . 1 1 55 55 PHE CB C 13 40.8 0.1 . 1 . . . . 55 PHE CB . 25305 1 184 . 1 1 55 55 PHE N N 15 117.6 0.01 . 1 . . . . 55 PHE N . 25305 1 185 . 1 1 56 56 HIS H H 1 9.409 0.002 . 1 . . . . 56 HIS H . 25305 1 186 . 1 1 56 56 HIS C C 13 172.6 0.1 . 1 . . . . 56 HIS C . 25305 1 187 . 1 1 56 56 HIS CA C 13 54.8 0.1 . 1 . . . . 56 HIS CA . 25305 1 188 . 1 1 56 56 HIS CB C 13 33.0 0.1 . 1 . . . . 56 HIS CB . 25305 1 189 . 1 1 56 56 HIS N N 15 121.6 0.01 . 1 . . . . 56 HIS N . 25305 1 190 . 1 1 57 57 ILE H H 1 8.15 0.002 . 1 . . . . 57 ILE H . 25305 1 191 . 1 1 57 57 ILE C C 13 175.7 0.1 . 1 . . . . 57 ILE C . 25305 1 192 . 1 1 57 57 ILE CA C 13 60.2 0.1 . 1 . . . . 57 ILE CA . 25305 1 193 . 1 1 57 57 ILE CB C 13 41.8 0.1 . 1 . . . . 57 ILE CB . 25305 1 194 . 1 1 57 57 ILE N N 15 122.7 0.01 . 1 . . . . 57 ILE N . 25305 1 195 . 1 1 58 58 GLU H H 1 8.99 0.002 . 1 . . . . 58 GLU H . 25305 1 196 . 1 1 58 58 GLU C C 13 175.1 0.1 . 1 . . . . 58 GLU C . 25305 1 197 . 1 1 58 58 GLU CA C 13 54.8 0.1 . 1 . . . . 58 GLU CA . 25305 1 198 . 1 1 58 58 GLU CB C 13 32.0 0.1 . 1 . . . . 58 GLU CB . 25305 1 199 . 1 1 58 58 GLU N N 15 128.5 0.01 . 1 . . . . 58 GLU N . 25305 1 200 . 1 1 59 59 ASN H H 1 9.203 0.002 . 1 . . . . 59 ASN H . 25305 1 201 . 1 1 59 59 ASN C C 13 175.3 0.1 . 1 . . . . 59 ASN C . 25305 1 202 . 1 1 59 59 ASN CA C 13 57.2 0.1 . 1 . . . . 59 ASN CA . 25305 1 203 . 1 1 59 59 ASN CB C 13 41.1 0.1 . 1 . . . . 59 ASN CB . 25305 1 204 . 1 1 59 59 ASN N N 15 126.9 0.01 . 1 . . . . 59 ASN N . 25305 1 205 . 1 1 60 60 THR H H 1 9.263 0.002 . 1 . . . . 60 THR H . 25305 1 206 . 1 1 60 60 THR C C 13 174.1 0.1 . 1 . . . . 60 THR C . 25305 1 207 . 1 1 60 60 THR CA C 13 60.0 0.1 . 1 . . . . 60 THR CA . 25305 1 208 . 1 1 60 60 THR CB C 13 70.0 0.1 . 1 . . . . 60 THR CB . 25305 1 209 . 1 1 60 60 THR N N 15 117.3 0.01 . 1 . . . . 60 THR N . 25305 1 210 . 1 1 61 61 ASP H H 1 8.297 0.002 . 1 . . . . 61 ASP H . 25305 1 211 . 1 1 61 61 ASP C C 13 175.4 0.1 . 1 . . . . 61 ASP C . 25305 1 212 . 1 1 61 61 ASP CA C 13 56.5 0.1 . 1 . . . . 61 ASP CA . 25305 1 213 . 1 1 61 61 ASP CB C 13 40.6 0.1 . 1 . . . . 61 ASP CB . 25305 1 214 . 1 1 61 61 ASP N N 15 117.7 0.01 . 1 . . . . 61 ASP N . 25305 1 215 . 1 1 62 62 ASP H H 1 7.944 0.002 . 1 . . . . 62 ASP H . 25305 1 216 . 1 1 62 62 ASP C C 13 173.6 0.1 . 1 . . . . 62 ASP C . 25305 1 217 . 1 1 62 62 ASP CA C 13 53.2 0.1 . 1 . . . . 62 ASP CA . 25305 1 218 . 1 1 62 62 ASP N N 15 115.9 0.01 . 1 . . . . 62 ASP N . 25305 1 219 . 1 1 63 63 LEU H H 1 7.062 0.002 . 1 . . . . 63 LEU H . 25305 1 220 . 1 1 63 63 LEU C C 13 175.4 0.1 . 1 . . . . 63 LEU C . 25305 1 221 . 1 1 63 63 LEU CA C 13 54.8 0.1 . 1 . . . . 63 LEU CA . 25305 1 222 . 1 1 63 63 LEU CB C 13 46.8 0.1 . 1 . . . . 63 LEU CB . 25305 1 223 . 1 1 63 63 LEU N N 15 122.8 0.01 . 1 . . . . 63 LEU N . 25305 1 224 . 1 1 64 64 THR H H 1 8.879 0.002 . 1 . . . . 64 THR H . 25305 1 225 . 1 1 64 64 THR C C 13 172.4 0.1 . 1 . . . . 64 THR C . 25305 1 226 . 1 1 64 64 THR CA C 13 59.5 0.1 . 1 . . . . 64 THR CA . 25305 1 227 . 1 1 64 64 THR CB C 13 69.9 0.1 . 1 . . . . 64 THR CB . 25305 1 228 . 1 1 64 64 THR N N 15 121.1 0.01 . 1 . . . . 64 THR N . 25305 1 229 . 1 1 65 65 THR H H 1 8.559 0.002 . 1 . . . . 65 THR H . 25305 1 230 . 1 1 65 65 THR C C 13 172.4 0.1 . 1 . . . . 65 THR C . 25305 1 231 . 1 1 65 65 THR CA C 13 61.5 0.1 . 1 . . . . 65 THR CA . 25305 1 232 . 1 1 65 65 THR CB C 13 71.0 0.1 . 1 . . . . 65 THR CB . 25305 1 233 . 1 1 65 65 THR N N 15 125.0 0.01 . 1 . . . . 65 THR N . 25305 1 234 . 1 1 66 66 LEU H H 1 8.719 0.002 . 1 . . . . 66 LEU H . 25305 1 235 . 1 1 66 66 LEU C C 13 173.7 0.1 . 1 . . . . 66 LEU C . 25305 1 236 . 1 1 66 66 LEU CA C 13 53.7 0.1 . 1 . . . . 66 LEU CA . 25305 1 237 . 1 1 66 66 LEU CB C 13 42.3 0.1 . 1 . . . . 66 LEU CB . 25305 1 238 . 1 1 66 66 LEU N N 15 130.0 0.01 . 1 . . . . 66 LEU N . 25305 1 239 . 1 1 67 67 ILE H H 1 8.977 0.002 . 1 . . . . 67 ILE H . 25305 1 240 . 1 1 67 67 ILE C C 13 175.2 0.1 . 1 . . . . 67 ILE C . 25305 1 241 . 1 1 67 67 ILE CA C 13 59.6 0.1 . 1 . . . . 67 ILE CA . 25305 1 242 . 1 1 67 67 ILE CB C 13 41.6 0.1 . 1 . . . . 67 ILE CB . 25305 1 243 . 1 1 67 67 ILE N N 15 127.7 0.01 . 1 . . . . 67 ILE N . 25305 1 244 . 1 1 68 68 ILE H H 1 8.727 0.002 . 1 . . . . 68 ILE H . 25305 1 245 . 1 1 68 68 ILE C C 13 175.6 0.1 . 1 . . . . 68 ILE C . 25305 1 246 . 1 1 68 68 ILE CA C 13 60.0 0.1 . 1 . . . . 68 ILE CA . 25305 1 247 . 1 1 68 68 ILE CB C 13 39.5 0.1 . 1 . . . . 68 ILE CB . 25305 1 248 . 1 1 68 68 ILE N N 15 124.2 0.01 . 1 . . . . 68 ILE N . 25305 1 249 . 1 1 70 70 ASP H H 1 7.283 0.002 . 1 . . . . 70 ASP H . 25305 1 250 . 1 1 70 70 ASP C C 13 175.1 0.1 . 1 . . . . 70 ASP C . 25305 1 251 . 1 1 70 70 ASP CA C 13 55.0 0.1 . 1 . . . . 70 ASP CA . 25305 1 252 . 1 1 70 70 ASP CB C 13 39.6 0.1 . 1 . . . . 70 ASP CB . 25305 1 253 . 1 1 70 70 ASP N N 15 119.2 0.01 . 1 . . . . 70 ASP N . 25305 1 254 . 1 1 71 71 VAL H H 1 8.088 0.002 . 1 . . . . 71 VAL H . 25305 1 255 . 1 1 71 71 VAL C C 13 176.0 0.1 . 1 . . . . 71 VAL C . 25305 1 256 . 1 1 71 71 VAL CA C 13 64.2 0.1 . 1 . . . . 71 VAL CA . 25305 1 257 . 1 1 71 71 VAL CB C 13 32.4 0.1 . 1 . . . . 71 VAL CB . 25305 1 258 . 1 1 71 71 VAL N N 15 115.3 0.01 . 1 . . . . 71 VAL N . 25305 1 259 . 1 1 72 72 GLN H H 1 9.273 0.002 . 1 . . . . 72 GLN H . 25305 1 260 . 1 1 72 72 GLN C C 13 177.6 0.1 . 1 . . . . 72 GLN C . 25305 1 261 . 1 1 72 72 GLN CA C 13 53.2 0.1 . 1 . . . . 72 GLN CA . 25305 1 262 . 1 1 72 72 GLN CB C 13 32.5 0.1 . 1 . . . . 72 GLN CB . 25305 1 263 . 1 1 72 72 GLN N N 15 125.2 0.01 . 1 . . . . 72 GLN N . 25305 1 264 . 1 1 73 73 LYS H H 1 9.248 0.002 . 1 . . . . 73 LYS H . 25305 1 265 . 1 1 73 73 LYS C C 13 179.4 0.1 . 1 . . . . 73 LYS C . 25305 1 266 . 1 1 73 73 LYS CA C 13 60.7 0.1 . 1 . . . . 73 LYS CA . 25305 1 267 . 1 1 73 73 LYS CB C 13 32.0 0.1 . 1 . . . . 73 LYS CB . 25305 1 268 . 1 1 73 73 LYS N N 15 122.1 0.01 . 1 . . . . 73 LYS N . 25305 1 269 . 1 1 74 74 GLN H H 1 8.784 0.002 . 1 . . . . 74 GLN H . 25305 1 270 . 1 1 74 74 GLN C C 13 175.6 0.1 . 1 . . . . 74 GLN C . 25305 1 271 . 1 1 74 74 GLN CA C 13 57.7 0.1 . 1 . . . . 74 GLN CA . 25305 1 272 . 1 1 74 74 GLN CB C 13 27.5 0.1 . 1 . . . . 74 GLN CB . 25305 1 273 . 1 1 74 74 GLN N N 15 115.1 0.01 . 1 . . . . 74 GLN N . 25305 1 274 . 1 1 75 75 ASP H H 1 8.177 0.002 . 1 . . . . 75 ASP H . 25305 1 275 . 1 1 75 75 ASP C C 13 177.2 0.1 . 1 . . . . 75 ASP C . 25305 1 276 . 1 1 75 75 ASP CA C 13 55.1 0.1 . 1 . . . . 75 ASP CA . 25305 1 277 . 1 1 75 75 ASP CB C 13 41.2 0.1 . 1 . . . . 75 ASP CB . 25305 1 278 . 1 1 75 75 ASP N N 15 119.7 0.01 . 1 . . . . 75 ASP N . 25305 1 279 . 1 1 76 76 GLY H H 1 7.648 0.002 . 1 . . . . 76 GLY H . 25305 1 280 . 1 1 76 76 GLY C C 13 172.8 0.1 . 1 . . . . 76 GLY C . 25305 1 281 . 1 1 76 76 GLY CA C 13 45.7 0.1 . 1 . . . . 76 GLY CA . 25305 1 282 . 1 1 76 76 GLY N N 15 105.7 0.01 . 1 . . . . 76 GLY N . 25305 1 283 . 1 1 77 77 GLY H H 1 8.818 0.002 . 1 . . . . 77 GLY H . 25305 1 284 . 1 1 77 77 GLY C C 13 171.1 0.1 . 1 . . . . 77 GLY C . 25305 1 285 . 1 1 77 77 GLY CA C 13 44.3 0.1 . 1 . . . . 77 GLY CA . 25305 1 286 . 1 1 77 77 GLY N N 15 109.2 0.01 . 1 . . . . 77 GLY N . 25305 1 287 . 1 1 78 78 LEU H H 1 8.267 0.002 . 1 . . . . 78 LEU H . 25305 1 288 . 1 1 78 78 LEU C C 13 171.1 0.1 . 1 . . . . 78 LEU C . 25305 1 289 . 1 1 78 78 LEU CA C 13 55.0 0.1 . 1 . . . . 78 LEU CA . 25305 1 290 . 1 1 78 78 LEU CB C 13 42.4 0.1 . 1 . . . . 78 LEU CB . 25305 1 291 . 1 1 78 78 LEU N N 15 120.7 0.01 . 1 . . . . 78 LEU N . 25305 1 292 . 1 1 79 79 TYR H H 1 9.838 0.002 . 1 . . . . 79 TYR H . 25305 1 293 . 1 1 79 79 TYR C C 13 175.1 0.1 . 1 . . . . 79 TYR C . 25305 1 294 . 1 1 79 79 TYR CA C 13 57.5 0.1 . 1 . . . . 79 TYR CA . 25305 1 295 . 1 1 79 79 TYR CB C 13 40.0 0.1 . 1 . . . . 79 TYR CB . 25305 1 296 . 1 1 79 79 TYR N N 15 131.3 0.01 . 1 . . . . 79 TYR N . 25305 1 297 . 1 1 80 80 THR H H 1 9.305 0.002 . 1 . . . . 80 THR H . 25305 1 298 . 1 1 80 80 THR C C 13 172.3 0.1 . 1 . . . . 80 THR C . 25305 1 299 . 1 1 80 80 THR CA C 13 70.0 0.1 . 1 . . . . 80 THR CA . 25305 1 300 . 1 1 80 80 THR CB C 13 71.3 0.1 . 1 . . . . 80 THR CB . 25305 1 301 . 1 1 80 80 THR N N 15 118.0 0.01 . 1 . . . . 80 THR N . 25305 1 302 . 1 1 81 81 LEU H H 1 8.835 0.002 . 1 . . . . 81 LEU H . 25305 1 303 . 1 1 81 81 LEU C C 13 174.4 0.1 . 1 . . . . 81 LEU C . 25305 1 304 . 1 1 81 81 LEU CA C 13 52.7 0.1 . 1 . . . . 81 LEU CA . 25305 1 305 . 1 1 81 81 LEU CB C 13 42.5 0.1 . 1 . . . . 81 LEU CB . 25305 1 306 . 1 1 81 81 LEU N N 15 130.7 0.01 . 1 . . . . 81 LEU N . 25305 1 307 . 1 1 82 82 SER H H 1 8.839 0.002 . 1 . . . . 82 SER H . 25305 1 308 . 1 1 82 82 SER C C 13 172.1 0.1 . 1 . . . . 82 SER C . 25305 1 309 . 1 1 82 82 SER CA C 13 56.5 0.1 . 1 . . . . 82 SER CA . 25305 1 310 . 1 1 82 82 SER CB C 13 65.3 0.1 . 1 . . . . 82 SER CB . 25305 1 311 . 1 1 82 82 SER N N 15 119.8 0.01 . 1 . . . . 82 SER N . 25305 1 312 . 1 1 83 83 LEU H H 1 8.727 0.002 . 1 . . . . 83 LEU H . 25305 1 313 . 1 1 83 83 LEU C C 13 177.2 0.1 . 1 . . . . 83 LEU C . 25305 1 314 . 1 1 83 83 LEU CA C 13 52.2 0.1 . 1 . . . . 83 LEU CA . 25305 1 315 . 1 1 83 83 LEU CB C 13 47.1 0.1 . 1 . . . . 83 LEU CB . 25305 1 316 . 1 1 83 83 LEU N N 15 122.6 0.01 . 1 . . . . 83 LEU N . 25305 1 317 . 1 1 84 84 GLY H H 1 7.933 0.002 . 1 . . . . 84 GLY H . 25305 1 318 . 1 1 84 84 GLY C C 13 172.5 0.1 . 1 . . . . 84 GLY C . 25305 1 319 . 1 1 84 84 GLY CA C 13 45.4 0.1 . 1 . . . . 84 GLY CA . 25305 1 320 . 1 1 84 84 GLY N N 15 106.5 0.01 . 1 . . . . 84 GLY N . 25305 1 321 . 1 1 85 85 ASN H H 1 8.976 0.002 . 1 . . . . 85 ASN H . 25305 1 322 . 1 1 85 85 ASN C C 13 175.7 0.1 . 1 . . . . 85 ASN C . 25305 1 323 . 1 1 85 85 ASN CA C 13 52.1 0.1 . 1 . . . . 85 ASN CA . 25305 1 324 . 1 1 85 85 ASN CB C 13 40.1 0.1 . 1 . . . . 85 ASN CB . 25305 1 325 . 1 1 85 85 ASN N N 15 121.5 0.01 . 1 . . . . 85 ASN N . 25305 1 326 . 1 1 86 86 GLU H H 1 9.208 0.002 . 1 . . . . 86 GLU H . 25305 1 327 . 1 1 86 86 GLU C C 13 175.9 0.1 . 1 . . . . 86 GLU C . 25305 1 328 . 1 1 86 86 GLU CA C 13 58.6 0.1 . 1 . . . . 86 GLU CA . 25305 1 329 . 1 1 86 86 GLU CB C 13 29.2 0.1 . 1 . . . . 86 GLU CB . 25305 1 330 . 1 1 86 86 GLU N N 15 116.4 0.01 . 1 . . . . 86 GLU N . 25305 1 331 . 1 1 87 87 PHE H H 1 7.927 0.002 . 1 . . . . 87 PHE H . 25305 1 332 . 1 1 87 87 PHE C C 13 175.2 0.1 . 1 . . . . 87 PHE C . 25305 1 333 . 1 1 87 87 PHE CA C 13 58.4 0.1 . 1 . . . . 87 PHE CA . 25305 1 334 . 1 1 87 87 PHE CB C 13 39.7 0.1 . 1 . . . . 87 PHE CB . 25305 1 335 . 1 1 87 87 PHE N N 15 115.9 0.01 . 1 . . . . 87 PHE N . 25305 1 336 . 1 1 88 88 GLY H H 1 7.757 0.002 . 1 . . . . 88 GLY H . 25305 1 337 . 1 1 88 88 GLY C C 13 170.2 0.1 . 1 . . . . 88 GLY C . 25305 1 338 . 1 1 88 88 GLY CA C 13 45.7 0.1 . 1 . . . . 88 GLY CA . 25305 1 339 . 1 1 88 88 GLY N N 15 107.36 0.01 . 1 . . . . 88 GLY N . 25305 1 340 . 1 1 89 89 SER H H 1 8.450 0.002 . 1 . . . . 89 SER H . 25305 1 341 . 1 1 89 89 SER C C 13 172.8 0.1 . 1 . . . . 89 SER C . 25305 1 342 . 1 1 89 89 SER CA C 13 56.8 0.1 . 1 . . . . 89 SER CA . 25305 1 343 . 1 1 89 89 SER CB C 13 66.7 0.1 . 1 . . . . 89 SER CB . 25305 1 344 . 1 1 89 89 SER N N 15 112.5 0.01 . 1 . . . . 89 SER N . 25305 1 345 . 1 1 90 90 ASP H H 1 8.639 0.002 . 1 . . . . 90 ASP H . 25305 1 346 . 1 1 90 90 ASP C C 13 174.5 0.1 . 1 . . . . 90 ASP C . 25305 1 347 . 1 1 90 90 ASP CA C 13 53.9 0.1 . 1 . . . . 90 ASP CA . 25305 1 348 . 1 1 90 90 ASP CB C 13 45.2 0.1 . 1 . . . . 90 ASP CB . 25305 1 349 . 1 1 90 90 ASP N N 15 119.4 0.01 . 1 . . . . 90 ASP N . 25305 1 350 . 1 1 91 91 SER H H 1 8.210 0.002 . 1 . . . . 91 SER H . 25305 1 351 . 1 1 91 91 SER C C 13 172.6 0.1 . 1 . . . . 91 SER C . 25305 1 352 . 1 1 91 91 SER CA C 13 57.3 0.1 . 1 . . . . 91 SER CA . 25305 1 353 . 1 1 91 91 SER CB C 13 66.2 0.1 . 1 . . . . 91 SER CB . 25305 1 354 . 1 1 91 91 SER N N 15 115.8 0.01 . 1 . . . . 91 SER N . 25305 1 355 . 1 1 92 92 ALA H H 1 8.827 0.002 . 1 . . . . 92 ALA H . 25305 1 356 . 1 1 92 92 ALA C C 13 174.6 0.1 . 1 . . . . 92 ALA C . 25305 1 357 . 1 1 92 92 ALA CA C 13 52.0 0.1 . 1 . . . . 92 ALA CA . 25305 1 358 . 1 1 92 92 ALA CB C 13 23.3 0.1 . 1 . . . . 92 ALA CB . 25305 1 359 . 1 1 92 92 ALA N N 15 124.6 0.01 . 1 . . . . 92 ALA N . 25305 1 360 . 1 1 93 93 THR H H 1 8.297 0.002 . 1 . . . . 93 THR H . 25305 1 361 . 1 1 93 93 THR C C 13 173.3 0.1 . 1 . . . . 93 THR C . 25305 1 362 . 1 1 93 93 THR CA C 13 60.4 0.1 . 1 . . . . 93 THR CA . 25305 1 363 . 1 1 93 93 THR CB C 13 72.5 0.1 . 1 . . . . 93 THR CB . 25305 1 364 . 1 1 93 93 THR N N 15 111.6 0.01 . 1 . . . . 93 THR N . 25305 1 365 . 1 1 94 94 VAL H H 1 9.470 0.002 . 1 . . . . 94 VAL H . 25305 1 366 . 1 1 94 94 VAL C C 13 172.5 0.1 . 1 . . . . 94 VAL C . 25305 1 367 . 1 1 94 94 VAL CA C 13 59.3 0.1 . 1 . . . . 94 VAL CA . 25305 1 368 . 1 1 94 94 VAL CB C 13 34.5 0.1 . 1 . . . . 94 VAL CB . 25305 1 369 . 1 1 94 94 VAL N N 15 122.9 0.01 . 1 . . . . 94 VAL N . 25305 1 370 . 1 1 95 95 ASN H H 1 8.530 0.002 . 1 . . . . 95 ASN H . 25305 1 371 . 1 1 95 95 ASN C C 13 174.0 0.1 . 1 . . . . 95 ASN C . 25305 1 372 . 1 1 95 95 ASN CA C 13 52.5 0.1 . 1 . . . . 95 ASN CA . 25305 1 373 . 1 1 95 95 ASN CB C 13 39.4 0.1 . 1 . . . . 95 ASN CB . 25305 1 374 . 1 1 95 95 ASN N N 15 127.8 0.01 . 1 . . . . 95 ASN N . 25305 1 375 . 1 1 96 96 ILE H H 1 9.105 0.002 . 1 . . . . 96 ILE H . 25305 1 376 . 1 1 96 96 ILE C C 13 175.2 0.1 . 1 . . . . 96 ILE C . 25305 1 377 . 1 1 96 96 ILE CA C 13 60.7 0.1 . 1 . . . . 96 ILE CA . 25305 1 378 . 1 1 96 96 ILE CB C 13 37.0 0.1 . 1 . . . . 96 ILE CB . 25305 1 379 . 1 1 96 96 ILE N N 15 127.0 0.01 . 1 . . . . 96 ILE N . 25305 1 380 . 1 1 97 97 HIS H H 1 9.310 0.002 . 1 . . . . 97 HIS H . 25305 1 381 . 1 1 97 97 HIS C C 13 173.4 0.1 . 1 . . . . 97 HIS C . 25305 1 382 . 1 1 97 97 HIS CA C 13 54.6 0.1 . 1 . . . . 97 HIS CA . 25305 1 383 . 1 1 97 97 HIS CB C 13 31.4 0.1 . 1 . . . . 97 HIS CB . 25305 1 384 . 1 1 97 97 HIS N N 15 129.6 0.01 . 1 . . . . 97 HIS N . 25305 1 385 . 1 1 98 98 ILE H H 1 8.635 0.002 . 1 . . . . 98 ILE H . 25305 1 386 . 1 1 98 98 ILE C C 13 176.3 0.1 . 1 . . . . 98 ILE C . 25305 1 387 . 1 1 98 98 ILE CA C 13 58.1 0.1 . 1 . . . . 98 ILE CA . 25305 1 388 . 1 1 98 98 ILE CB C 13 36.3 0.1 . 1 . . . . 98 ILE CB . 25305 1 389 . 1 1 98 98 ILE N N 15 124.7 0.01 . 1 . . . . 98 ILE N . 25305 1 390 . 1 1 99 99 ARG H H 1 8.934 0.002 . 1 . . . . 99 ARG H . 25305 1 391 . 1 1 99 99 ARG C C 13 175.6 0.1 . 1 . . . . 99 ARG C . 25305 1 392 . 1 1 99 99 ARG CA C 13 55.8 0.1 . 1 . . . . 99 ARG CA . 25305 1 393 . 1 1 99 99 ARG CB C 13 31.0 0.1 . 1 . . . . 99 ARG CB . 25305 1 394 . 1 1 99 99 ARG N N 15 129.5 0.01 . 1 . . . . 99 ARG N . 25305 1 395 . 1 1 100 100 SER H H 1 8.493 0.002 . 1 . . . . 100 SER H . 25305 1 396 . 1 1 100 100 SER C C 13 175.5 0.1 . 1 . . . . 100 SER C . 25305 1 397 . 1 1 100 100 SER CA C 13 58.4 0.1 . 1 . . . . 100 SER CA . 25305 1 398 . 1 1 100 100 SER CB C 13 64.8 0.1 . 1 . . . . 100 SER CB . 25305 1 399 . 1 1 100 100 SER N N 15 120.9 0.01 . 1 . . . . 100 SER N . 25305 1 400 . 1 1 101 101 ILE H H 1 8.186 0.002 . 1 . . . . 101 ILE H . 25305 1 401 . 1 1 101 101 ILE C C 13 181.4 0.1 . 1 . . . . 101 ILE C . 25305 1 402 . 1 1 101 101 ILE CA C 13 63.1 0.1 . 1 . . . . 101 ILE CA . 25305 1 403 . 1 1 101 101 ILE CB C 13 39.3 0.1 . 1 . . . . 101 ILE CB . 25305 1 404 . 1 1 101 101 ILE N N 15 127.2 0.01 . 1 . . . . 101 ILE N . 25305 1 stop_ save_