data_25952 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25952 _Entry.Title ; 1H, 13C, and 15N chemical shift assignments of the free lectin from Ralstonia solanacearum ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-01-12 _Entry.Accession_date 2016-01-12 _Entry.Last_release_date 2016-02-18 _Entry.Original_release_date 2016-02-18 _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 Pawel Antonik . M. . . 25952 2 Nico 'van Nuland' . AJ . . 25952 3 Alexander Volkov . N. . . 25952 4 Peter Crowley . B. . . 25952 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25952 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 249 25952 '15N chemical shifts' 96 25952 '1H chemical shifts' 103 25952 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2016-07-20 2016-01-12 update BMRB 'update entry citation' 25952 1 . . 2016-02-18 2016-01-12 original author 'original release' 25952 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25950 RSLman 25952 BMRB 25951 RSLfuc 25952 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25952 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26845253 _Citation.Full_citation . _Citation.Title ; Anomer-Specific Recognition and Dynamics in a Fucose-Binding Lectin ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 55 _Citation.Journal_issue 8 _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 1195 _Citation.Page_last 1203 _Citation.Year 2016 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Pawel Antonik . M. . . 25952 1 2 Alexander Volkov . N. . . 25952 1 3 Ursula Broder . N. . . 25952 1 4 Daniele Re . L. . . 25952 1 5 Nico 'van Nuland' . AJ . . 25952 1 6 Peter Crowley . B. . . 25952 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Anomer 25952 1 Carbohydrates 25952 1 HSQC 25952 1 Lectin 25952 1 'NMR spectroscopy' 25952 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25952 _Assembly.ID 1 _Assembly.Name RSL _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 RSL 1 $RSL A . yes native no no . . . 25952 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RSL _Entity.Sf_category entity _Entity.Sf_framecode RSL _Entity.Entry_ID 25952 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RSL _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 ; SSVQTAATSWGTVPSIRVYT ANNGKITERCWDGKGWYTGA FNEPGDNVSVTSWLVGSAIH IRVYASTGTTTTEWCWDGNG WTKGAYTATN ; _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 90 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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 SER . 25952 1 2 2 SER . 25952 1 3 3 VAL . 25952 1 4 4 GLN . 25952 1 5 5 THR . 25952 1 6 6 ALA . 25952 1 7 7 ALA . 25952 1 8 8 THR . 25952 1 9 9 SER . 25952 1 10 10 TRP . 25952 1 11 11 GLY . 25952 1 12 12 THR . 25952 1 13 13 VAL . 25952 1 14 14 PRO . 25952 1 15 15 SER . 25952 1 16 16 ILE . 25952 1 17 17 ARG . 25952 1 18 18 VAL . 25952 1 19 19 TYR . 25952 1 20 20 THR . 25952 1 21 21 ALA . 25952 1 22 22 ASN . 25952 1 23 23 ASN . 25952 1 24 24 GLY . 25952 1 25 25 LYS . 25952 1 26 26 ILE . 25952 1 27 27 THR . 25952 1 28 28 GLU . 25952 1 29 29 ARG . 25952 1 30 30 CYS . 25952 1 31 31 TRP . 25952 1 32 32 ASP . 25952 1 33 33 GLY . 25952 1 34 34 LYS . 25952 1 35 35 GLY . 25952 1 36 36 TRP . 25952 1 37 37 TYR . 25952 1 38 38 THR . 25952 1 39 39 GLY . 25952 1 40 40 ALA . 25952 1 41 41 PHE . 25952 1 42 42 ASN . 25952 1 43 43 GLU . 25952 1 44 44 PRO . 25952 1 45 45 GLY . 25952 1 46 46 ASP . 25952 1 47 47 ASN . 25952 1 48 48 VAL . 25952 1 49 49 SER . 25952 1 50 50 VAL . 25952 1 51 51 THR . 25952 1 52 52 SER . 25952 1 53 53 TRP . 25952 1 54 54 LEU . 25952 1 55 55 VAL . 25952 1 56 56 GLY . 25952 1 57 57 SER . 25952 1 58 58 ALA . 25952 1 59 59 ILE . 25952 1 60 60 HIS . 25952 1 61 61 ILE . 25952 1 62 62 ARG . 25952 1 63 63 VAL . 25952 1 64 64 TYR . 25952 1 65 65 ALA . 25952 1 66 66 SER . 25952 1 67 67 THR . 25952 1 68 68 GLY . 25952 1 69 69 THR . 25952 1 70 70 THR . 25952 1 71 71 THR . 25952 1 72 72 THR . 25952 1 73 73 GLU . 25952 1 74 74 TRP . 25952 1 75 75 CYS . 25952 1 76 76 TRP . 25952 1 77 77 ASP . 25952 1 78 78 GLY . 25952 1 79 79 ASN . 25952 1 80 80 GLY . 25952 1 81 81 TRP . 25952 1 82 82 THR . 25952 1 83 83 LYS . 25952 1 84 84 GLY . 25952 1 85 85 ALA . 25952 1 86 86 TYR . 25952 1 87 87 THR . 25952 1 88 88 ALA . 25952 1 89 89 THR . 25952 1 90 90 ASN . 25952 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 . SER 1 1 25952 1 . SER 2 2 25952 1 . VAL 3 3 25952 1 . GLN 4 4 25952 1 . THR 5 5 25952 1 . ALA 6 6 25952 1 . ALA 7 7 25952 1 . THR 8 8 25952 1 . SER 9 9 25952 1 . TRP 10 10 25952 1 . GLY 11 11 25952 1 . THR 12 12 25952 1 . VAL 13 13 25952 1 . PRO 14 14 25952 1 . SER 15 15 25952 1 . ILE 16 16 25952 1 . ARG 17 17 25952 1 . VAL 18 18 25952 1 . TYR 19 19 25952 1 . THR 20 20 25952 1 . ALA 21 21 25952 1 . ASN 22 22 25952 1 . ASN 23 23 25952 1 . GLY 24 24 25952 1 . LYS 25 25 25952 1 . ILE 26 26 25952 1 . THR 27 27 25952 1 . GLU 28 28 25952 1 . ARG 29 29 25952 1 . CYS 30 30 25952 1 . TRP 31 31 25952 1 . ASP 32 32 25952 1 . GLY 33 33 25952 1 . LYS 34 34 25952 1 . GLY 35 35 25952 1 . TRP 36 36 25952 1 . TYR 37 37 25952 1 . THR 38 38 25952 1 . GLY 39 39 25952 1 . ALA 40 40 25952 1 . PHE 41 41 25952 1 . ASN 42 42 25952 1 . GLU 43 43 25952 1 . PRO 44 44 25952 1 . GLY 45 45 25952 1 . ASP 46 46 25952 1 . ASN 47 47 25952 1 . VAL 48 48 25952 1 . SER 49 49 25952 1 . VAL 50 50 25952 1 . THR 51 51 25952 1 . SER 52 52 25952 1 . TRP 53 53 25952 1 . LEU 54 54 25952 1 . VAL 55 55 25952 1 . GLY 56 56 25952 1 . SER 57 57 25952 1 . ALA 58 58 25952 1 . ILE 59 59 25952 1 . HIS 60 60 25952 1 . ILE 61 61 25952 1 . ARG 62 62 25952 1 . VAL 63 63 25952 1 . TYR 64 64 25952 1 . ALA 65 65 25952 1 . SER 66 66 25952 1 . THR 67 67 25952 1 . GLY 68 68 25952 1 . THR 69 69 25952 1 . THR 70 70 25952 1 . THR 71 71 25952 1 . THR 72 72 25952 1 . GLU 73 73 25952 1 . TRP 74 74 25952 1 . CYS 75 75 25952 1 . TRP 76 76 25952 1 . ASP 77 77 25952 1 . GLY 78 78 25952 1 . ASN 79 79 25952 1 . GLY 80 80 25952 1 . TRP 81 81 25952 1 . THR 82 82 25952 1 . LYS 83 83 25952 1 . GLY 84 84 25952 1 . ALA 85 85 25952 1 . TYR 86 86 25952 1 . THR 87 87 25952 1 . ALA 88 88 25952 1 . THR 89 89 25952 1 . ASN 90 90 25952 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 25952 _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 $RSL . 305 organism . 'Ralstonia solanacearum' b-proteobacteria . . Bacteria . Ralstonia solanacearum . . . . . . . . . . . . . 25952 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 25952 _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 $RSL . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET . . . 25952 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25952 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 RSL '[U-100% 13C; U-100% 15N]' . . 1 $RSL . . 2 . . mM . . . . 25952 1 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25952 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 25952 1 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25952 1 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25952 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 25952 _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' 68 . mM 25952 1 pH 6.1 . pH 25952 1 pressure 1 . atm 25952 1 temperature 303 . K 25952 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 25952 _Software.ID 1 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 25952 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25952 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25952 _Software.ID 2 _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' . . 25952 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25952 2 stop_ save_ save_CCPN _Software.Sf_category software _Software.Sf_framecode CCPN _Software.Entry_ID 25952 _Software.ID 3 _Software.Name CCPN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Vranken et al.' . . 25952 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25952 3 'data analysis' 25952 3 'peak picking' 25952 3 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 25952 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Uniform NMR System' _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 25952 _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 Varian 'Uniform NMR System' . 600 . . . 25952 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 25952 _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 . . . . . . . . . . . . . . . . 25952 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25952 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25952 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25952 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 25952 _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 . . . . . 25952 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25952 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25952 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 25952 _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' . . . 25952 1 2 '3D HNCACB' . . . 25952 1 3 '3D CBCA(CO)NH' . . . 25952 1 4 '3D HNCO' . . . 25952 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 SER C C 13 174.21356 0.4 . . . . . . 2 SER C . 25952 1 2 . 1 1 2 2 SER CA C 13 58.30196 0.4 . . . . . . 2 SER CA . 25952 1 3 . 1 1 2 2 SER CB C 13 65.459 0.4 . . . . . . 2 SER CB . 25952 1 4 . 1 1 3 3 VAL H H 1 7.97348 0.04 . . . . . . 3 VAL H . 25952 1 5 . 1 1 3 3 VAL C C 13 173.61531 0.4 . . . . . . 3 VAL C . 25952 1 6 . 1 1 3 3 VAL CA C 13 61.926835 0.4 . . . . . . 3 VAL CA . 25952 1 7 . 1 1 3 3 VAL CB C 13 32.609415 0.4 . . . . . . 3 VAL CB . 25952 1 8 . 1 1 3 3 VAL N N 15 116.18242 0.2 . . . . . . 3 VAL N . 25952 1 9 . 1 1 4 4 GLN H H 1 7.62835 0.04 . . . . . . 4 GLN H . 25952 1 10 . 1 1 4 4 GLN HE21 H 1 6.9942 0.04 . . . . . . 4 GLN HE21 . 25952 1 11 . 1 1 4 4 GLN HE22 H 1 7.59505 0.04 . . . . . . 4 GLN HE22 . 25952 1 12 . 1 1 4 4 GLN C C 13 175.3465 0.4 . . . . . . 4 GLN C . 25952 1 13 . 1 1 4 4 GLN CA C 13 54.739465 0.4 . . . . . . 4 GLN CA . 25952 1 14 . 1 1 4 4 GLN CB C 13 31.3087 0.4 . . . . . . 4 GLN CB . 25952 1 15 . 1 1 4 4 GLN N N 15 120.57735 0.2 . . . . . . 4 GLN N . 25952 1 16 . 1 1 4 4 GLN NE2 N 15 111.42505 0.2 . . . . . . 4 GLN NE2 . 25952 1 17 . 1 1 5 5 THR H H 1 8.11351 0.04 . . . . . . 5 THR H . 25952 1 18 . 1 1 5 5 THR C C 13 174.01453 0.4 . . . . . . 5 THR C . 25952 1 19 . 1 1 5 5 THR CA C 13 59.47405 0.4 . . . . . . 5 THR CA . 25952 1 20 . 1 1 5 5 THR CB C 13 73.644175 0.4 . . . . . . 5 THR CB . 25952 1 21 . 1 1 5 5 THR N N 15 112.04578 0.2 . . . . . . 5 THR N . 25952 1 22 . 1 1 6 6 ALA H H 1 8.90584 0.04 . . . . . . 6 ALA H . 25952 1 23 . 1 1 6 6 ALA C C 13 174.19473 0.4 . . . . . . 6 ALA C . 25952 1 24 . 1 1 6 6 ALA CA C 13 51.918905 0.4 . . . . . . 6 ALA CA . 25952 1 25 . 1 1 6 6 ALA CB C 13 24.366185 0.4 . . . . . . 6 ALA CB . 25952 1 26 . 1 1 6 6 ALA N N 15 121.32694 0.2 . . . . . . 6 ALA N . 25952 1 27 . 1 1 7 7 ALA H H 1 8.93586 0.04 . . . . . . 7 ALA H . 25952 1 28 . 1 1 7 7 ALA C C 13 176.06392 0.4 . . . . . . 7 ALA C . 25952 1 29 . 1 1 7 7 ALA CA C 13 50.964665 0.4 . . . . . . 7 ALA CA . 25952 1 30 . 1 1 7 7 ALA CB C 13 23.66852 0.4 . . . . . . 7 ALA CB . 25952 1 31 . 1 1 7 7 ALA N N 15 123.81151 0.2 . . . . . . 7 ALA N . 25952 1 32 . 1 1 8 8 THR H H 1 8.99862 0.04 . . . . . . 8 THR H . 25952 1 33 . 1 1 8 8 THR C C 13 170.24901 0.4 . . . . . . 8 THR C . 25952 1 34 . 1 1 8 8 THR CA C 13 60.584385 0.4 . . . . . . 8 THR CA . 25952 1 35 . 1 1 8 8 THR CB C 13 70.13237 0.4 . . . . . . 8 THR CB . 25952 1 36 . 1 1 8 8 THR N N 15 114.29564 0.2 . . . . . . 8 THR N . 25952 1 37 . 1 1 9 9 SER H H 1 8.19967 0.04 . . . . . . 9 SER H . 25952 1 38 . 1 1 9 9 SER C C 13 173.80351 0.4 . . . . . . 9 SER C . 25952 1 39 . 1 1 9 9 SER CA C 13 57.47708 0.4 . . . . . . 9 SER CA . 25952 1 40 . 1 1 9 9 SER CB C 13 67.264115 0.4 . . . . . . 9 SER CB . 25952 1 41 . 1 1 9 9 SER N N 15 116.83481 0.2 . . . . . . 9 SER N . 25952 1 42 . 1 1 10 10 TRP H H 1 8.4213 0.04 . . . . . . 10 TRP H . 25952 1 43 . 1 1 10 10 TRP HE1 H 1 10.05608 0.04 . . . . . . 10 TRP HE1 . 25952 1 44 . 1 1 10 10 TRP C C 13 174.79835 0.4 . . . . . . 10 TRP C . 25952 1 45 . 1 1 10 10 TRP CA C 13 57.8094 0.4 . . . . . . 10 TRP CA . 25952 1 46 . 1 1 10 10 TRP CB C 13 32.07069 0.4 . . . . . . 10 TRP CB . 25952 1 47 . 1 1 10 10 TRP N N 15 116.32602 0.2 . . . . . . 10 TRP N . 25952 1 48 . 1 1 10 10 TRP NE1 N 15 129.21559 0.2 . . . . . . 10 TRP NE1 . 25952 1 49 . 1 1 11 11 GLY H H 1 8.88442 0.04 . . . . . . 11 GLY H . 25952 1 50 . 1 1 11 11 GLY C C 13 173.65352 0.4 . . . . . . 11 GLY C . 25952 1 51 . 1 1 11 11 GLY CA C 13 44.7468 0.4 . . . . . . 11 GLY CA . 25952 1 52 . 1 1 11 11 GLY N N 15 105.71261 0.2 . . . . . . 11 GLY N . 25952 1 53 . 1 1 12 12 THR H H 1 8.16557 0.04 . . . . . . 12 THR H . 25952 1 54 . 1 1 12 12 THR C C 13 175.61947 0.4 . . . . . . 12 THR C . 25952 1 55 . 1 1 12 12 THR CA C 13 61.75605 0.4 . . . . . . 12 THR CA . 25952 1 56 . 1 1 12 12 THR CB C 13 69.70812 0.4 . . . . . . 12 THR CB . 25952 1 57 . 1 1 12 12 THR N N 15 105.7924 0.2 . . . . . . 12 THR N . 25952 1 58 . 1 1 13 13 VAL H H 1 8.00764 0.04 . . . . . . 13 VAL H . 25952 1 59 . 1 1 13 13 VAL CA C 13 61.75605 0.4 . . . . . . 13 VAL CA . 25952 1 60 . 1 1 13 13 VAL CB C 13 69.70812 0.4 . . . . . . 13 VAL CB . 25952 1 61 . 1 1 13 13 VAL N N 15 123.99781 0.2 . . . . . . 13 VAL N . 25952 1 62 . 1 1 14 14 PRO C C 13 175.05358 0.4 . . . . . . 14 PRO C . 25952 1 63 . 1 1 14 14 PRO CA C 13 62.16887 0.4 . . . . . . 14 PRO CA . 25952 1 64 . 1 1 14 14 PRO CB C 13 32.76865 0.4 . . . . . . 14 PRO CB . 25952 1 65 . 1 1 15 15 SER H H 1 7.16548 0.04 . . . . . . 15 SER H . 25952 1 66 . 1 1 15 15 SER C C 13 173.23035 0.4 . . . . . . 15 SER C . 25952 1 67 . 1 1 15 15 SER CA C 13 58.987295 0.4 . . . . . . 15 SER CA . 25952 1 68 . 1 1 15 15 SER CB C 13 63.958155 0.4 . . . . . . 15 SER CB . 25952 1 69 . 1 1 15 15 SER N N 15 110.47017 0.2 . . . . . . 15 SER N . 25952 1 70 . 1 1 16 16 ILE H H 1 8.70503 0.04 . . . . . . 16 ILE H . 25952 1 71 . 1 1 16 16 ILE C C 13 177.1801 0.4 . . . . . . 16 ILE C . 25952 1 72 . 1 1 16 16 ILE CA C 13 60.000875 0.4 . . . . . . 16 ILE CA . 25952 1 73 . 1 1 16 16 ILE CB C 13 42.55371 0.4 . . . . . . 16 ILE CB . 25952 1 74 . 1 1 16 16 ILE N N 15 118.78035 0.2 . . . . . . 16 ILE N . 25952 1 75 . 1 1 17 17 ARG H H 1 8.89077 0.04 . . . . . . 17 ARG H . 25952 1 76 . 1 1 17 17 ARG C C 13 173.96228 0.4 . . . . . . 17 ARG C . 25952 1 77 . 1 1 17 17 ARG CA C 13 53.67802 0.4 . . . . . . 17 ARG CA . 25952 1 78 . 1 1 17 17 ARG CB C 13 34.58157 0.4 . . . . . . 17 ARG CB . 25952 1 79 . 1 1 17 17 ARG N N 15 127.95593 0.2 . . . . . . 17 ARG N . 25952 1 80 . 1 1 18 18 VAL H H 1 8.69118 0.04 . . . . . . 18 VAL H . 25952 1 81 . 1 1 18 18 VAL C C 13 175.95406 0.4 . . . . . . 18 VAL C . 25952 1 82 . 1 1 18 18 VAL CA C 13 60.98859 0.4 . . . . . . 18 VAL CA . 25952 1 83 . 1 1 18 18 VAL CB C 13 34.46558 0.4 . . . . . . 18 VAL CB . 25952 1 84 . 1 1 18 18 VAL N N 15 120.93786 0.2 . . . . . . 18 VAL N . 25952 1 85 . 1 1 19 19 TYR H H 1 9.69714 0.04 . . . . . . 19 TYR H . 25952 1 86 . 1 1 19 19 TYR C C 13 174.89234 0.4 . . . . . . 19 TYR C . 25952 1 87 . 1 1 19 19 TYR CA C 13 57.01636 0.4 . . . . . . 19 TYR CA . 25952 1 88 . 1 1 19 19 TYR CB C 13 41.094215 0.4 . . . . . . 19 TYR CB . 25952 1 89 . 1 1 19 19 TYR N N 15 132.31847 0.2 . . . . . . 19 TYR N . 25952 1 90 . 1 1 20 20 THR H H 1 8.75324 0.04 . . . . . . 20 THR H . 25952 1 91 . 1 1 20 20 THR C C 13 172.86597 0.4 . . . . . . 20 THR C . 25952 1 92 . 1 1 20 20 THR CA C 13 61.64608 0.4 . . . . . . 20 THR CA . 25952 1 93 . 1 1 20 20 THR CB C 13 71.00985 0.4 . . . . . . 20 THR CB . 25952 1 94 . 1 1 20 20 THR N N 15 117.59535 0.2 . . . . . . 20 THR N . 25952 1 95 . 1 1 21 21 ALA H H 1 9.52123 0.04 . . . . . . 21 ALA H . 25952 1 96 . 1 1 21 21 ALA C C 13 176.15039 0.4 . . . . . . 21 ALA C . 25952 1 97 . 1 1 21 21 ALA CA C 13 50.845015 0.4 . . . . . . 21 ALA CA . 25952 1 98 . 1 1 21 21 ALA CB C 13 19.47911 0.4 . . . . . . 21 ALA CB . 25952 1 99 . 1 1 21 21 ALA N N 15 131.62088 0.2 . . . . . . 21 ALA N . 25952 1 100 . 1 1 22 22 ASN H H 1 8.99301 0.04 . . . . . . 22 ASN H . 25952 1 101 . 1 1 22 22 ASN HD21 H 1 6.53707 0.04 . . . . . . 22 ASN HD21 . 25952 1 102 . 1 1 22 22 ASN HD22 H 1 7.50014 0.04 . . . . . . 22 ASN HD22 . 25952 1 103 . 1 1 22 22 ASN C C 13 175.27579 0.4 . . . . . . 22 ASN C . 25952 1 104 . 1 1 22 22 ASN CA C 13 52.503415 0.4 . . . . . . 22 ASN CA . 25952 1 105 . 1 1 22 22 ASN CB C 13 41.160865 0.4 . . . . . . 22 ASN CB . 25952 1 106 . 1 1 22 22 ASN N N 15 121.94288 0.2 . . . . . . 22 ASN N . 25952 1 107 . 1 1 22 22 ASN ND2 N 15 109.86268 0.2 . . . . . . 22 ASN ND2 . 25952 1 108 . 1 1 23 23 ASN H H 1 7.5243 0.04 . . . . . . 23 ASN H . 25952 1 109 . 1 1 23 23 ASN HD21 H 1 6.76163 0.04 . . . . . . 23 ASN HD21 . 25952 1 110 . 1 1 23 23 ASN HD22 H 1 7.4967 0.04 . . . . . . 23 ASN HD22 . 25952 1 111 . 1 1 23 23 ASN C C 13 175.25839 0.4 . . . . . . 23 ASN C . 25952 1 112 . 1 1 23 23 ASN CA C 13 54.24052 0.4 . . . . . . 23 ASN CA . 25952 1 113 . 1 1 23 23 ASN CB C 13 37.336195 0.4 . . . . . . 23 ASN CB . 25952 1 114 . 1 1 23 23 ASN N N 15 112.28641 0.2 . . . . . . 23 ASN N . 25952 1 115 . 1 1 23 23 ASN ND2 N 15 112.19663 0.2 . . . . . . 23 ASN ND2 . 25952 1 116 . 1 1 24 24 GLY H H 1 8.88553 0.04 . . . . . . 24 GLY H . 25952 1 117 . 1 1 24 24 GLY C C 13 175.39452 0.4 . . . . . . 24 GLY C . 25952 1 118 . 1 1 24 24 GLY CA C 13 45.782805 0.4 . . . . . . 24 GLY CA . 25952 1 119 . 1 1 24 24 GLY N N 15 104.03495 0.2 . . . . . . 24 GLY N . 25952 1 120 . 1 1 25 25 LYS H H 1 7.80809 0.04 . . . . . . 25 LYS H . 25952 1 121 . 1 1 25 25 LYS C C 13 174.09709 0.4 . . . . . . 25 LYS C . 25952 1 122 . 1 1 25 25 LYS CA C 13 55.10382 0.4 . . . . . . 25 LYS CA . 25952 1 123 . 1 1 25 25 LYS CB C 13 35.79822 0.4 . . . . . . 25 LYS CB . 25952 1 124 . 1 1 25 25 LYS N N 15 122.62827 0.2 . . . . . . 25 LYS N . 25952 1 125 . 1 1 26 26 ILE H H 1 8.92193 0.04 . . . . . . 26 ILE H . 25952 1 126 . 1 1 26 26 ILE C C 13 175.45278 0.4 . . . . . . 26 ILE C . 25952 1 127 . 1 1 26 26 ILE CA C 13 59.373745 0.4 . . . . . . 26 ILE CA . 25952 1 128 . 1 1 26 26 ILE CB C 13 39.34404 0.4 . . . . . . 26 ILE CB . 25952 1 129 . 1 1 26 26 ILE N N 15 123.66903 0.2 . . . . . . 26 ILE N . 25952 1 130 . 1 1 27 27 THR H H 1 8.29152 0.04 . . . . . . 27 THR H . 25952 1 131 . 1 1 27 27 THR C C 13 173.01158 0.4 . . . . . . 27 THR C . 25952 1 132 . 1 1 27 27 THR CA C 13 60.085025 0.4 . . . . . . 27 THR CA . 25952 1 133 . 1 1 27 27 THR CB C 13 71.771925 0.4 . . . . . . 27 THR CB . 25952 1 134 . 1 1 27 27 THR N N 15 115.21494 0.2 . . . . . . 27 THR N . 25952 1 135 . 1 1 28 28 GLU H H 1 8.87064 0.04 . . . . . . 28 GLU H . 25952 1 136 . 1 1 28 28 GLU C C 13 175.48998 0.4 . . . . . . 28 GLU C . 25952 1 137 . 1 1 28 28 GLU CA C 13 55.020095 0.4 . . . . . . 28 GLU CA . 25952 1 138 . 1 1 28 28 GLU CB C 13 37.32328 0.4 . . . . . . 28 GLU CB . 25952 1 139 . 1 1 28 28 GLU N N 15 123.63824 0.2 . . . . . . 28 GLU N . 25952 1 140 . 1 1 29 29 ARG H H 1 8.89321 0.04 . . . . . . 29 ARG H . 25952 1 141 . 1 1 29 29 ARG C C 13 175.40433 0.4 . . . . . . 29 ARG C . 25952 1 142 . 1 1 29 29 ARG CA C 13 53.029005 0.4 . . . . . . 29 ARG CA . 25952 1 143 . 1 1 29 29 ARG CB C 13 33.642405 0.4 . . . . . . 29 ARG CB . 25952 1 144 . 1 1 29 29 ARG N N 15 127.48335 0.2 . . . . . . 29 ARG N . 25952 1 145 . 1 1 30 30 CYS H H 1 9.17531 0.04 . . . . . . 30 CYS H . 25952 1 146 . 1 1 30 30 CYS C C 13 171.285 0.4 . . . . . . 30 CYS C . 25952 1 147 . 1 1 30 30 CYS CA C 13 56.255715 0.4 . . . . . . 30 CYS CA . 25952 1 148 . 1 1 30 30 CYS CB C 13 30.50789 0.4 . . . . . . 30 CYS CB . 25952 1 149 . 1 1 30 30 CYS N N 15 119.07624 0.2 . . . . . . 30 CYS N . 25952 1 150 . 1 1 31 31 TRP H H 1 8.144 0.04 . . . . . . 31 TRP H . 25952 1 151 . 1 1 31 31 TRP HE1 H 1 10.4187 0.04 . . . . . . 31 TRP HE1 . 25952 1 152 . 1 1 31 31 TRP C C 13 174.98199 0.4 . . . . . . 31 TRP C . 25952 1 153 . 1 1 31 31 TRP CA C 13 56.46443 0.4 . . . . . . 31 TRP CA . 25952 1 154 . 1 1 31 31 TRP CB C 13 30.0955 0.4 . . . . . . 31 TRP CB . 25952 1 155 . 1 1 31 31 TRP N N 15 121.74 0.2 . . . . . . 31 TRP N . 25952 1 156 . 1 1 31 31 TRP NE1 N 15 129.75275 0.2 . . . . . . 31 TRP NE1 . 25952 1 157 . 1 1 32 32 ASP H H 1 8.75431 0.04 . . . . . . 32 ASP H . 25952 1 158 . 1 1 32 32 ASP CA C 13 52.93781 0.4 . . . . . . 32 ASP CA . 25952 1 159 . 1 1 32 32 ASP CB C 13 42.86682 0.4 . . . . . . 32 ASP CB . 25952 1 160 . 1 1 32 32 ASP N N 15 126.63744 0.2 . . . . . . 32 ASP N . 25952 1 161 . 1 1 33 33 GLY C C 13 174.1129 0.4 . . . . . . 33 GLY C . 25952 1 162 . 1 1 33 33 GLY CA C 13 45.57912 0.4 . . . . . . 33 GLY CA . 25952 1 163 . 1 1 34 34 LYS H H 1 7.45502 0.04 . . . . . . 34 LYS H . 25952 1 164 . 1 1 34 34 LYS CA C 13 54.7918 0.4 . . . . . . 34 LYS CA . 25952 1 165 . 1 1 34 34 LYS CB C 13 33.16268 0.4 . . . . . . 34 LYS CB . 25952 1 166 . 1 1 34 34 LYS N N 15 119.54913 0.2 . . . . . . 34 LYS N . 25952 1 167 . 1 1 35 35 GLY C C 13 173.78033 0.4 . . . . . . 35 GLY C . 25952 1 168 . 1 1 35 35 GLY CA C 13 44.20916 0.4 . . . . . . 35 GLY CA . 25952 1 169 . 1 1 36 36 TRP H H 1 8.93802 0.04 . . . . . . 36 TRP H . 25952 1 170 . 1 1 36 36 TRP HE1 H 1 10.85761 0.04 . . . . . . 36 TRP HE1 . 25952 1 171 . 1 1 36 36 TRP C C 13 177.34747 0.4 . . . . . . 36 TRP C . 25952 1 172 . 1 1 36 36 TRP CA C 13 57.81379 0.4 . . . . . . 36 TRP CA . 25952 1 173 . 1 1 36 36 TRP CB C 13 30.16924 0.4 . . . . . . 36 TRP CB . 25952 1 174 . 1 1 36 36 TRP N N 15 122.94988 0.2 . . . . . . 36 TRP N . 25952 1 175 . 1 1 36 36 TRP NE1 N 15 131.60512 0.2 . . . . . . 36 TRP NE1 . 25952 1 176 . 1 1 37 37 TYR H H 1 9.39434 0.04 . . . . . . 37 TYR H . 25952 1 177 . 1 1 37 37 TYR C C 13 174.29793 0.4 . . . . . . 37 TYR C . 25952 1 178 . 1 1 37 37 TYR CA C 13 56.18271 0.4 . . . . . . 37 TYR CA . 25952 1 179 . 1 1 37 37 TYR CB C 13 40.833595 0.4 . . . . . . 37 TYR CB . 25952 1 180 . 1 1 37 37 TYR N N 15 119.50112 0.2 . . . . . . 37 TYR N . 25952 1 181 . 1 1 38 38 THR H H 1 9.30314 0.04 . . . . . . 38 THR H . 25952 1 182 . 1 1 38 38 THR C C 13 175.00779 0.4 . . . . . . 38 THR C . 25952 1 183 . 1 1 38 38 THR CA C 13 63.99144 0.4 . . . . . . 38 THR CA . 25952 1 184 . 1 1 38 38 THR CB C 13 69.320415 0.4 . . . . . . 38 THR CB . 25952 1 185 . 1 1 38 38 THR N N 15 121.46161 0.2 . . . . . . 38 THR N . 25952 1 186 . 1 1 39 39 GLY H H 1 8.72185 0.04 . . . . . . 39 GLY H . 25952 1 187 . 1 1 39 39 GLY C C 13 174.09039 0.4 . . . . . . 39 GLY C . 25952 1 188 . 1 1 39 39 GLY CA C 13 44.458725 0.4 . . . . . . 39 GLY CA . 25952 1 189 . 1 1 39 39 GLY N N 15 116.31772 0.2 . . . . . . 39 GLY N . 25952 1 190 . 1 1 40 40 ALA H H 1 8.18332 0.04 . . . . . . 40 ALA H . 25952 1 191 . 1 1 40 40 ALA C C 13 178.30028 0.4 . . . . . . 40 ALA C . 25952 1 192 . 1 1 40 40 ALA CA C 13 53.088095 0.4 . . . . . . 40 ALA CA . 25952 1 193 . 1 1 40 40 ALA CB C 13 19.459705 0.4 . . . . . . 40 ALA CB . 25952 1 194 . 1 1 40 40 ALA N N 15 121.19318 0.2 . . . . . . 40 ALA N . 25952 1 195 . 1 1 41 41 PHE H H 1 7.74267 0.04 . . . . . . 41 PHE H . 25952 1 196 . 1 1 41 41 PHE C C 13 175.14781 0.4 . . . . . . 41 PHE C . 25952 1 197 . 1 1 41 41 PHE CA C 13 60.355945 0.4 . . . . . . 41 PHE CA . 25952 1 198 . 1 1 41 41 PHE CB C 13 39.147675 0.4 . . . . . . 41 PHE CB . 25952 1 199 . 1 1 41 41 PHE N N 15 118.73122 0.2 . . . . . . 41 PHE N . 25952 1 200 . 1 1 42 42 ASN H H 1 7.65217 0.04 . . . . . . 42 ASN H . 25952 1 201 . 1 1 42 42 ASN HD21 H 1 6.49567 0.04 . . . . . . 42 ASN HD21 . 25952 1 202 . 1 1 42 42 ASN HD22 H 1 7.25371 0.04 . . . . . . 42 ASN HD22 . 25952 1 203 . 1 1 42 42 ASN C C 13 173.53277 0.4 . . . . . . 42 ASN C . 25952 1 204 . 1 1 42 42 ASN CA C 13 52.775655 0.4 . . . . . . 42 ASN CA . 25952 1 205 . 1 1 42 42 ASN CB C 13 39.32475 0.4 . . . . . . 42 ASN CB . 25952 1 206 . 1 1 42 42 ASN N N 15 128.14641 0.2 . . . . . . 42 ASN N . 25952 1 207 . 1 1 42 42 ASN ND2 N 15 110.612775 0.2 . . . . . . 42 ASN ND2 . 25952 1 208 . 1 1 43 43 GLU H H 1 6.92685 0.04 . . . . . . 43 GLU H . 25952 1 209 . 1 1 43 43 GLU CA C 13 52.19237 0.4 . . . . . . 43 GLU CA . 25952 1 210 . 1 1 43 43 GLU CB C 13 30.30702 0.4 . . . . . . 43 GLU CB . 25952 1 211 . 1 1 43 43 GLU N N 15 120.60167 0.2 . . . . . . 43 GLU N . 25952 1 212 . 1 1 44 44 PRO C C 13 176.54205 0.4 . . . . . . 44 PRO C . 25952 1 213 . 1 1 44 44 PRO CA C 13 62.39254 0.4 . . . . . . 44 PRO CA . 25952 1 214 . 1 1 44 44 PRO CB C 13 32.88305 0.4 . . . . . . 44 PRO CB . 25952 1 215 . 1 1 45 45 GLY H H 1 7.71182 0.04 . . . . . . 45 GLY H . 25952 1 216 . 1 1 45 45 GLY C C 13 170.1356 0.4 . . . . . . 45 GLY C . 25952 1 217 . 1 1 45 45 GLY CA C 13 46.33894 0.4 . . . . . . 45 GLY CA . 25952 1 218 . 1 1 45 45 GLY N N 15 107.6749 0.2 . . . . . . 45 GLY N . 25952 1 219 . 1 1 46 46 ASP H H 1 8.55932 0.04 . . . . . . 46 ASP H . 25952 1 220 . 1 1 46 46 ASP C C 13 175.75894 0.4 . . . . . . 46 ASP C . 25952 1 221 . 1 1 46 46 ASP CA C 13 54.44907 0.4 . . . . . . 46 ASP CA . 25952 1 222 . 1 1 46 46 ASP CB C 13 43.763355 0.4 . . . . . . 46 ASP CB . 25952 1 223 . 1 1 46 46 ASP N N 15 117.93494 0.2 . . . . . . 46 ASP N . 25952 1 224 . 1 1 47 47 ASN H H 1 7.90934 0.04 . . . . . . 47 ASN H . 25952 1 225 . 1 1 47 47 ASN HD21 H 1 7.79015 0.04 . . . . . . 47 ASN HD21 . 25952 1 226 . 1 1 47 47 ASN HD22 H 1 8.04709 0.04 . . . . . . 47 ASN HD22 . 25952 1 227 . 1 1 47 47 ASN C C 13 172.7729 0.4 . . . . . . 47 ASN C . 25952 1 228 . 1 1 47 47 ASN CA C 13 52.63333 0.4 . . . . . . 47 ASN CA . 25952 1 229 . 1 1 47 47 ASN CB C 13 44.545085 0.4 . . . . . . 47 ASN CB . 25952 1 230 . 1 1 47 47 ASN N N 15 116.73383 0.2 . . . . . . 47 ASN N . 25952 1 231 . 1 1 47 47 ASN ND2 N 15 114.86768 0.2 . . . . . . 47 ASN ND2 . 25952 1 232 . 1 1 48 48 VAL H H 1 9.93713 0.04 . . . . . . 48 VAL H . 25952 1 233 . 1 1 48 48 VAL C C 13 172.84277 0.4 . . . . . . 48 VAL C . 25952 1 234 . 1 1 48 48 VAL CA C 13 59.14859 0.4 . . . . . . 48 VAL CA . 25952 1 235 . 1 1 48 48 VAL CB C 13 36.556655 0.4 . . . . . . 48 VAL CB . 25952 1 236 . 1 1 48 48 VAL N N 15 125.15516 0.2 . . . . . . 48 VAL N . 25952 1 237 . 1 1 49 49 SER H H 1 8.40302 0.04 . . . . . . 49 SER H . 25952 1 238 . 1 1 49 49 SER C C 13 172.10268 0.4 . . . . . . 49 SER C . 25952 1 239 . 1 1 49 49 SER CA C 13 58.55983 0.4 . . . . . . 49 SER CA . 25952 1 240 . 1 1 49 49 SER CB C 13 67.252675 0.4 . . . . . . 49 SER CB . 25952 1 241 . 1 1 49 49 SER N N 15 121.45872 0.2 . . . . . . 49 SER N . 25952 1 242 . 1 1 50 50 VAL H H 1 8.5728 0.04 . . . . . . 50 VAL H . 25952 1 243 . 1 1 50 50 VAL C C 13 172.65365 0.4 . . . . . . 50 VAL C . 25952 1 244 . 1 1 50 50 VAL CA C 13 59.070565 0.4 . . . . . . 50 VAL CA . 25952 1 245 . 1 1 50 50 VAL CB C 13 35.51406 0.4 . . . . . . 50 VAL CB . 25952 1 246 . 1 1 50 50 VAL N N 15 116.00153 0.2 . . . . . . 50 VAL N . 25952 1 247 . 1 1 51 51 THR H H 1 8.95219 0.04 . . . . . . 51 THR H . 25952 1 248 . 1 1 51 51 THR C C 13 170.1477 0.4 . . . . . . 51 THR C . 25952 1 249 . 1 1 51 51 THR CA C 13 61.049555 0.4 . . . . . . 51 THR CA . 25952 1 250 . 1 1 51 51 THR CB C 13 69.880405 0.4 . . . . . . 51 THR CB . 25952 1 251 . 1 1 51 51 THR N N 15 118.68472 0.2 . . . . . . 51 THR N . 25952 1 252 . 1 1 52 52 SER H H 1 8.31024 0.04 . . . . . . 52 SER H . 25952 1 253 . 1 1 52 52 SER C C 13 172.18961 0.4 . . . . . . 52 SER C . 25952 1 254 . 1 1 52 52 SER CA C 13 57.74282 0.4 . . . . . . 52 SER CA . 25952 1 255 . 1 1 52 52 SER CB C 13 67.370825 0.4 . . . . . . 52 SER CB . 25952 1 256 . 1 1 52 52 SER N N 15 118.62918 0.2 . . . . . . 52 SER N . 25952 1 257 . 1 1 53 53 TRP H H 1 8.63983 0.04 . . . . . . 53 TRP H . 25952 1 258 . 1 1 53 53 TRP HE1 H 1 9.5688 0.04 . . . . . . 53 TRP HE1 . 25952 1 259 . 1 1 53 53 TRP C C 13 172.22199 0.4 . . . . . . 53 TRP C . 25952 1 260 . 1 1 53 53 TRP CA C 13 57.82644 0.4 . . . . . . 53 TRP CA . 25952 1 261 . 1 1 53 53 TRP CB C 13 31.66162 0.4 . . . . . . 53 TRP CB . 25952 1 262 . 1 1 53 53 TRP N N 15 118.47551 0.2 . . . . . . 53 TRP N . 25952 1 263 . 1 1 53 53 TRP NE1 N 15 128.32304 0.2 . . . . . . 53 TRP NE1 . 25952 1 264 . 1 1 54 54 LEU H H 1 8.54492 0.04 . . . . . . 54 LEU H . 25952 1 265 . 1 1 54 54 LEU C C 13 178.31756 0.4 . . . . . . 54 LEU C . 25952 1 266 . 1 1 54 54 LEU CA C 13 53.598995 0.4 . . . . . . 54 LEU CA . 25952 1 267 . 1 1 54 54 LEU CB C 13 45.487105 0.4 . . . . . . 54 LEU CB . 25952 1 268 . 1 1 54 54 LEU N N 15 121.91389 0.2 . . . . . . 54 LEU N . 25952 1 269 . 1 1 55 55 VAL H H 1 8.6766 0.04 . . . . . . 55 VAL H . 25952 1 270 . 1 1 55 55 VAL C C 13 177.31452 0.4 . . . . . . 55 VAL C . 25952 1 271 . 1 1 55 55 VAL CA C 13 62.39919 0.4 . . . . . . 55 VAL CA . 25952 1 272 . 1 1 55 55 VAL CB C 13 32.53461 0.4 . . . . . . 55 VAL CB . 25952 1 273 . 1 1 55 55 VAL N N 15 123.03878 0.2 . . . . . . 55 VAL N . 25952 1 274 . 1 1 56 56 GLY H H 1 9.19607 0.04 . . . . . . 56 GLY H . 25952 1 275 . 1 1 56 56 GLY C C 13 174.47622 0.4 . . . . . . 56 GLY C . 25952 1 276 . 1 1 56 56 GLY CA C 13 47.35434 0.4 . . . . . . 56 GLY CA . 25952 1 277 . 1 1 56 56 GLY N N 15 119.22514 0.2 . . . . . . 56 GLY N . 25952 1 278 . 1 1 57 57 SER H H 1 8.93218 0.04 . . . . . . 57 SER H . 25952 1 279 . 1 1 57 57 SER C C 13 173.54261 0.4 . . . . . . 57 SER C . 25952 1 280 . 1 1 57 57 SER CA C 13 58.138955 0.4 . . . . . . 57 SER CA . 25952 1 281 . 1 1 57 57 SER CB C 13 64.060375 0.4 . . . . . . 57 SER CB . 25952 1 282 . 1 1 57 57 SER N N 15 122.1556 0.2 . . . . . . 57 SER N . 25952 1 283 . 1 1 58 58 ALA H H 1 8.1635 0.04 . . . . . . 58 ALA H . 25952 1 284 . 1 1 58 58 ALA C C 13 175.09268 0.4 . . . . . . 58 ALA C . 25952 1 285 . 1 1 58 58 ALA CA C 13 51.810465 0.4 . . . . . . 58 ALA CA . 25952 1 286 . 1 1 58 58 ALA CB C 13 20.11632 0.4 . . . . . . 58 ALA CB . 25952 1 287 . 1 1 58 58 ALA N N 15 127.13456 0.2 . . . . . . 58 ALA N . 25952 1 288 . 1 1 59 59 ILE H H 1 7.58907 0.04 . . . . . . 59 ILE H . 25952 1 289 . 1 1 59 59 ILE C C 13 172.44122 0.4 . . . . . . 59 ILE C . 25952 1 290 . 1 1 59 59 ILE CA C 13 56.72996 0.4 . . . . . . 59 ILE CA . 25952 1 291 . 1 1 59 59 ILE CB C 13 39.99041 0.4 . . . . . . 59 ILE CB . 25952 1 292 . 1 1 59 59 ILE N N 15 123.87834 0.2 . . . . . . 59 ILE N . 25952 1 293 . 1 1 60 60 HIS H H 1 7.61918 0.04 . . . . . . 60 HIS H . 25952 1 294 . 1 1 60 60 HIS C C 13 172.73572 0.4 . . . . . . 60 HIS C . 25952 1 295 . 1 1 60 60 HIS CA C 13 53.314305 0.4 . . . . . . 60 HIS CA . 25952 1 296 . 1 1 60 60 HIS CB C 13 29.894355 0.4 . . . . . . 60 HIS CB . 25952 1 297 . 1 1 60 60 HIS N N 15 123.00765 0.2 . . . . . . 60 HIS N . 25952 1 298 . 1 1 61 61 ILE H H 1 8.59154 0.04 . . . . . . 61 ILE H . 25952 1 299 . 1 1 61 61 ILE C C 13 176.60698 0.4 . . . . . . 61 ILE C . 25952 1 300 . 1 1 61 61 ILE CA C 13 60.415675 0.4 . . . . . . 61 ILE CA . 25952 1 301 . 1 1 61 61 ILE CB C 13 41.711145 0.4 . . . . . . 61 ILE CB . 25952 1 302 . 1 1 61 61 ILE N N 15 119.12102 0.2 . . . . . . 61 ILE N . 25952 1 303 . 1 1 62 62 ARG H H 1 9.06312 0.04 . . . . . . 62 ARG H . 25952 1 304 . 1 1 62 62 ARG C C 13 173.04255 0.4 . . . . . . 62 ARG C . 25952 1 305 . 1 1 62 62 ARG CA C 13 53.267715 0.4 . . . . . . 62 ARG CA . 25952 1 306 . 1 1 62 62 ARG CB C 13 33.1652 0.4 . . . . . . 62 ARG CB . 25952 1 307 . 1 1 62 62 ARG N N 15 128.67177 0.2 . . . . . . 62 ARG N . 25952 1 308 . 1 1 63 63 VAL H H 1 8.936 0.04 . . . . . . 63 VAL H . 25952 1 309 . 1 1 63 63 VAL C C 13 174.14729 0.4 . . . . . . 63 VAL C . 25952 1 310 . 1 1 63 63 VAL CA C 13 60.29154 0.4 . . . . . . 63 VAL CA . 25952 1 311 . 1 1 63 63 VAL CB C 13 34.26301 0.4 . . . . . . 63 VAL CB . 25952 1 312 . 1 1 63 63 VAL N N 15 123.42 0.2 . . . . . . 63 VAL N . 25952 1 313 . 1 1 64 64 TYR H H 1 8.67469 0.04 . . . . . . 64 TYR H . 25952 1 314 . 1 1 64 64 TYR C C 13 175.30412 0.4 . . . . . . 64 TYR C . 25952 1 315 . 1 1 64 64 TYR CA C 13 57.98209 0.4 . . . . . . 64 TYR CA . 25952 1 316 . 1 1 64 64 TYR CB C 13 36.949345 0.4 . . . . . . 64 TYR CB . 25952 1 317 . 1 1 64 64 TYR N N 15 125.23397 0.2 . . . . . . 64 TYR N . 25952 1 318 . 1 1 65 65 ALA H H 1 9.31881 0.04 . . . . . . 65 ALA H . 25952 1 319 . 1 1 65 65 ALA C C 13 176.76238 0.4 . . . . . . 65 ALA C . 25952 1 320 . 1 1 65 65 ALA CA C 13 50.55698 0.4 . . . . . . 65 ALA CA . 25952 1 321 . 1 1 65 65 ALA CB C 13 22.440925 0.4 . . . . . . 65 ALA CB . 25952 1 322 . 1 1 65 65 ALA N N 15 132.16027 0.2 . . . . . . 65 ALA N . 25952 1 323 . 1 1 66 66 SER H H 1 8.97016 0.04 . . . . . . 66 SER H . 25952 1 324 . 1 1 66 66 SER C C 13 173.3103 0.4 . . . . . . 66 SER C . 25952 1 325 . 1 1 66 66 SER CA C 13 58.203045 0.4 . . . . . . 66 SER CA . 25952 1 326 . 1 1 66 66 SER CB C 13 65.25383 0.4 . . . . . . 66 SER CB . 25952 1 327 . 1 1 66 66 SER N N 15 118.85483 0.2 . . . . . . 66 SER N . 25952 1 328 . 1 1 67 67 THR H H 1 8.5679 0.04 . . . . . . 67 THR H . 25952 1 329 . 1 1 67 67 THR C C 13 174.61584 0.4 . . . . . . 67 THR C . 25952 1 330 . 1 1 67 67 THR CA C 13 62.08913 0.4 . . . . . . 67 THR CA . 25952 1 331 . 1 1 67 67 THR CB C 13 71.04575 0.4 . . . . . . 67 THR CB . 25952 1 332 . 1 1 67 67 THR N N 15 121.58593 0.2 . . . . . . 67 THR N . 25952 1 333 . 1 1 68 68 GLY H H 1 9.4363 0.04 . . . . . . 68 GLY H . 25952 1 334 . 1 1 68 68 GLY C C 13 174.91811 0.4 . . . . . . 68 GLY C . 25952 1 335 . 1 1 68 68 GLY CA C 13 47.281765 0.4 . . . . . . 68 GLY CA . 25952 1 336 . 1 1 68 68 GLY N N 15 118.13924 0.2 . . . . . . 68 GLY N . 25952 1 337 . 1 1 69 69 THR H H 1 8.57941 0.04 . . . . . . 69 THR H . 25952 1 338 . 1 1 69 69 THR C C 13 174.57221 0.4 . . . . . . 69 THR C . 25952 1 339 . 1 1 69 69 THR CA C 13 61.170945 0.4 . . . . . . 69 THR CA . 25952 1 340 . 1 1 69 69 THR CB C 13 68.554885 0.4 . . . . . . 69 THR CB . 25952 1 341 . 1 1 69 69 THR N N 15 115.45448 0.2 . . . . . . 69 THR N . 25952 1 342 . 1 1 70 70 THR H H 1 8.36394 0.04 . . . . . . 70 THR H . 25952 1 343 . 1 1 70 70 THR C C 13 173.79646 0.4 . . . . . . 70 THR C . 25952 1 344 . 1 1 70 70 THR CA C 13 62.44647 0.4 . . . . . . 70 THR CA . 25952 1 345 . 1 1 70 70 THR CB C 13 70.50002 0.4 . . . . . . 70 THR CB . 25952 1 346 . 1 1 70 70 THR N N 15 119.33971 0.2 . . . . . . 70 THR N . 25952 1 347 . 1 1 71 71 THR H H 1 8.80194 0.04 . . . . . . 71 THR H . 25952 1 348 . 1 1 71 71 THR C C 13 172.79996 0.4 . . . . . . 71 THR C . 25952 1 349 . 1 1 71 71 THR CA C 13 61.7125 0.4 . . . . . . 71 THR CA . 25952 1 350 . 1 1 71 71 THR CB C 13 75.6513 0.4 . . . . . . 71 THR CB . 25952 1 351 . 1 1 71 71 THR N N 15 126.10748 0.2 . . . . . . 71 THR N . 25952 1 352 . 1 1 72 72 THR H H 1 9.52432 0.04 . . . . . . 72 THR H . 25952 1 353 . 1 1 72 72 THR C C 13 171.36011 0.4 . . . . . . 72 THR C . 25952 1 354 . 1 1 72 72 THR CA C 13 62.0103 0.4 . . . . . . 72 THR CA . 25952 1 355 . 1 1 72 72 THR CB C 13 70.9684 0.4 . . . . . . 72 THR CB . 25952 1 356 . 1 1 72 72 THR N N 15 125.21222 0.2 . . . . . . 72 THR N . 25952 1 357 . 1 1 73 73 GLU H H 1 8.62172 0.04 . . . . . . 73 GLU H . 25952 1 358 . 1 1 73 73 GLU C C 13 173.40771 0.4 . . . . . . 73 GLU C . 25952 1 359 . 1 1 73 73 GLU CA C 13 54.009455 0.4 . . . . . . 73 GLU CA . 25952 1 360 . 1 1 73 73 GLU CB C 13 34.713895 0.4 . . . . . . 73 GLU CB . 25952 1 361 . 1 1 73 73 GLU N N 15 129.04866 0.2 . . . . . . 73 GLU N . 25952 1 362 . 1 1 74 74 TRP H H 1 9.56157 0.04 . . . . . . 74 TRP H . 25952 1 363 . 1 1 74 74 TRP HE1 H 1 10.49541 0.04 . . . . . . 74 TRP HE1 . 25952 1 364 . 1 1 74 74 TRP C C 13 176.1729 0.4 . . . . . . 74 TRP C . 25952 1 365 . 1 1 74 74 TRP CA C 13 55.62365 0.4 . . . . . . 74 TRP CA . 25952 1 366 . 1 1 74 74 TRP CB C 13 33.245415 0.4 . . . . . . 74 TRP CB . 25952 1 367 . 1 1 74 74 TRP N N 15 129.44003 0.2 . . . . . . 74 TRP N . 25952 1 368 . 1 1 74 74 TRP NE1 N 15 128.11216 0.2 . . . . . . 74 TRP NE1 . 25952 1 369 . 1 1 75 75 CYS H H 1 10.06316 0.04 . . . . . . 75 CYS H . 25952 1 370 . 1 1 75 75 CYS C C 13 173.47041 0.4 . . . . . . 75 CYS C . 25952 1 371 . 1 1 75 75 CYS CA C 13 57.11849 0.4 . . . . . . 75 CYS CA . 25952 1 372 . 1 1 75 75 CYS CB C 13 29.749135 0.4 . . . . . . 75 CYS CB . 25952 1 373 . 1 1 75 75 CYS N N 15 120.56655 0.2 . . . . . . 75 CYS N . 25952 1 374 . 1 1 76 76 TRP H H 1 8.67753 0.04 . . . . . . 76 TRP H . 25952 1 375 . 1 1 76 76 TRP HE1 H 1 10.20786 0.04 . . . . . . 76 TRP HE1 . 25952 1 376 . 1 1 76 76 TRP C C 13 175.61485 0.4 . . . . . . 76 TRP C . 25952 1 377 . 1 1 76 76 TRP CA C 13 57.14697 0.4 . . . . . . 76 TRP CA . 25952 1 378 . 1 1 76 76 TRP CB C 13 28.69406 0.4 . . . . . . 76 TRP CB . 25952 1 379 . 1 1 76 76 TRP N N 15 124.25037 0.2 . . . . . . 76 TRP N . 25952 1 380 . 1 1 76 76 TRP NE1 N 15 128.82653 0.2 . . . . . . 76 TRP NE1 . 25952 1 381 . 1 1 77 77 ASP H H 1 8.22253 0.04 . . . . . . 77 ASP H . 25952 1 382 . 1 1 77 77 ASP CA C 13 52.38515 0.4 . . . . . . 77 ASP CA . 25952 1 383 . 1 1 77 77 ASP CB C 13 42.84285 0.4 . . . . . . 77 ASP CB . 25952 1 384 . 1 1 77 77 ASP N N 15 126.35084 0.2 . . . . . . 77 ASP N . 25952 1 385 . 1 1 78 78 GLY C C 13 173.92687 0.4 . . . . . . 78 GLY C . 25952 1 386 . 1 1 78 78 GLY CA C 13 45.63208 0.4 . . . . . . 78 GLY CA . 25952 1 387 . 1 1 79 79 ASN H H 1 7.83136 0.04 . . . . . . 79 ASN H . 25952 1 388 . 1 1 79 79 ASN HD21 H 1 6.69096 0.04 . . . . . . 79 ASN HD21 . 25952 1 389 . 1 1 79 79 ASN HD22 H 1 7.35692 0.04 . . . . . . 79 ASN HD22 . 25952 1 390 . 1 1 79 79 ASN CA C 13 52.62105 0.4 . . . . . . 79 ASN CA . 25952 1 391 . 1 1 79 79 ASN CB C 13 39.4783 0.4 . . . . . . 79 ASN CB . 25952 1 392 . 1 1 79 79 ASN N N 15 118.29169 0.2 . . . . . . 79 ASN N . 25952 1 393 . 1 1 79 79 ASN ND2 N 15 112.363455 0.2 . . . . . . 79 ASN ND2 . 25952 1 394 . 1 1 80 80 GLY C C 13 172.75068 0.4 . . . . . . 80 GLY C . 25952 1 395 . 1 1 80 80 GLY CA C 13 44.20571 0.4 . . . . . . 80 GLY CA . 25952 1 396 . 1 1 81 81 TRP H H 1 8.81393 0.04 . . . . . . 81 TRP H . 25952 1 397 . 1 1 81 81 TRP HE1 H 1 11.14696 0.04 . . . . . . 81 TRP HE1 . 25952 1 398 . 1 1 81 81 TRP C C 13 178.14447 0.4 . . . . . . 81 TRP C . 25952 1 399 . 1 1 81 81 TRP CA C 13 57.416245 0.4 . . . . . . 81 TRP CA . 25952 1 400 . 1 1 81 81 TRP CB C 13 30.331255 0.4 . . . . . . 81 TRP CB . 25952 1 401 . 1 1 81 81 TRP N N 15 121.55123 0.2 . . . . . . 81 TRP N . 25952 1 402 . 1 1 81 81 TRP NE1 N 15 131.37543 0.2 . . . . . . 81 TRP NE1 . 25952 1 403 . 1 1 82 82 THR H H 1 9.73147 0.04 . . . . . . 82 THR H . 25952 1 404 . 1 1 82 82 THR C C 13 173.42061 0.4 . . . . . . 82 THR C . 25952 1 405 . 1 1 82 82 THR CA C 13 60.135705 0.4 . . . . . . 82 THR CA . 25952 1 406 . 1 1 82 82 THR CB C 13 72.013185 0.4 . . . . . . 82 THR CB . 25952 1 407 . 1 1 82 82 THR N N 15 116.62065 0.2 . . . . . . 82 THR N . 25952 1 408 . 1 1 83 83 LYS H H 1 8.82392 0.04 . . . . . . 83 LYS H . 25952 1 409 . 1 1 83 83 LYS C C 13 178.28496 0.4 . . . . . . 83 LYS C . 25952 1 410 . 1 1 83 83 LYS CA C 13 57.324765 0.4 . . . . . . 83 LYS CA . 25952 1 411 . 1 1 83 83 LYS CB C 13 32.620925 0.4 . . . . . . 83 LYS CB . 25952 1 412 . 1 1 83 83 LYS N N 15 125.51522 0.2 . . . . . . 83 LYS N . 25952 1 413 . 1 1 84 84 GLY H H 1 9.14673 0.04 . . . . . . 84 GLY H . 25952 1 414 . 1 1 84 84 GLY C C 13 174.26517 0.4 . . . . . . 84 GLY C . 25952 1 415 . 1 1 84 84 GLY CA C 13 44.24974 0.4 . . . . . . 84 GLY CA . 25952 1 416 . 1 1 84 84 GLY N N 15 115.31324 0.2 . . . . . . 84 GLY N . 25952 1 417 . 1 1 85 85 ALA H H 1 7.87542 0.04 . . . . . . 85 ALA H . 25952 1 418 . 1 1 85 85 ALA C C 13 176.83481 0.4 . . . . . . 85 ALA C . 25952 1 419 . 1 1 85 85 ALA CA C 13 52.049625 0.4 . . . . . . 85 ALA CA . 25952 1 420 . 1 1 85 85 ALA CB C 13 19.27005 0.4 . . . . . . 85 ALA CB . 25952 1 421 . 1 1 85 85 ALA N N 15 120.9483 0.2 . . . . . . 85 ALA N . 25952 1 422 . 1 1 86 86 TYR H H 1 7.47091 0.04 . . . . . . 86 TYR H . 25952 1 423 . 1 1 86 86 TYR C C 13 175.03643 0.4 . . . . . . 86 TYR C . 25952 1 424 . 1 1 86 86 TYR CA C 13 61.432235 0.4 . . . . . . 86 TYR CA . 25952 1 425 . 1 1 86 86 TYR CB C 13 40.013685 0.4 . . . . . . 86 TYR CB . 25952 1 426 . 1 1 86 86 TYR N N 15 119.778 0.2 . . . . . . 86 TYR N . 25952 1 427 . 1 1 87 87 THR H H 1 5.45135 0.04 . . . . . . 87 THR H . 25952 1 428 . 1 1 87 87 THR C C 13 172.90298 0.4 . . . . . . 87 THR C . 25952 1 429 . 1 1 87 87 THR CA C 13 58.746175 0.4 . . . . . . 87 THR CA . 25952 1 430 . 1 1 87 87 THR CB C 13 72.26749 0.4 . . . . . . 87 THR CB . 25952 1 431 . 1 1 87 87 THR N N 15 115.441 0.2 . . . . . . 87 THR N . 25952 1 432 . 1 1 88 88 ALA H H 1 8.39107 0.04 . . . . . . 88 ALA H . 25952 1 433 . 1 1 88 88 ALA C C 13 176.58396 0.4 . . . . . . 88 ALA C . 25952 1 434 . 1 1 88 88 ALA CA C 13 52.91642 0.4 . . . . . . 88 ALA CA . 25952 1 435 . 1 1 88 88 ALA CB C 13 20.57767 0.4 . . . . . . 88 ALA CB . 25952 1 436 . 1 1 88 88 ALA N N 15 124.15509 0.2 . . . . . . 88 ALA N . 25952 1 437 . 1 1 89 89 THR H H 1 7.65592 0.04 . . . . . . 89 THR H . 25952 1 438 . 1 1 89 89 THR C C 13 173.02809 0.4 . . . . . . 89 THR C . 25952 1 439 . 1 1 89 89 THR CA C 13 60.743995 0.4 . . . . . . 89 THR CA . 25952 1 440 . 1 1 89 89 THR CB C 13 70.56334 0.4 . . . . . . 89 THR CB . 25952 1 441 . 1 1 89 89 THR N N 15 109.09283 0.2 . . . . . . 89 THR N . 25952 1 442 . 1 1 90 90 ASN H H 1 8.08988 0.04 . . . . . . 90 ASN H . 25952 1 443 . 1 1 90 90 ASN HD21 H 1 6.9092 0.04 . . . . . . 90 ASN HD21 . 25952 1 444 . 1 1 90 90 ASN HD22 H 1 7.5271 0.04 . . . . . . 90 ASN HD22 . 25952 1 445 . 1 1 90 90 ASN CA C 13 55.269 0.4 . . . . . . 90 ASN CA . 25952 1 446 . 1 1 90 90 ASN CB C 13 39.99288 0.4 . . . . . . 90 ASN CB . 25952 1 447 . 1 1 90 90 ASN N N 15 125.20243 0.2 . . . . . . 90 ASN N . 25952 1 448 . 1 1 90 90 ASN ND2 N 15 112.92987 0.2 . . . . . . 90 ASN ND2 . 25952 1 stop_ save_