data_51282 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51282 _Entry.Title ; NMR Backbone Assignment of Nup358-Min ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-01-14 _Entry.Accession_date 2022-01-14 _Entry.Last_release_date 2022-01-14 _Entry.Original_release_date 2022-01-14 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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 James Gibson . M. . 0000-0002-9378-0135 51282 2 Chunyu Wang . . . . 51282 3 Jing Zhao . . . . 51282 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51282 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 257 51282 '15N chemical shifts' 78 51282 '1H chemical shifts' 78 51282 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2022-05-17 2022-01-14 update BMRB 'update entry citation' 51282 1 . . 2022-01-25 2022-01-14 original author 'original release' 51282 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51282 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35229716 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Coil-to-alpha-helix transition at the Nup358-BicD2 interface activates BicD2 for dynein recruitment ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev eLife _Citation.Journal_name_full . _Citation.Journal_volume 11 _Citation.Journal_issue . _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 e74714 _Citation.Page_last e74714 _Citation.Year 2022 _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 James Gibson J. M. . . 51282 1 2 Heying Cui H. . . . 51282 1 3 'M Yusuf' Ali M. Y. . . 51282 1 4 Xiaoxin Zhao X. . . . 51282 1 5 Erik Debler E. W. . . 51282 1 6 Jing Zhao J. . . . 51282 1 7 Kathleen Trybus K. M. . . 51282 1 8 Sozanne Solmaz S. R. . . 51282 1 9 Chunyu Wang C. . . . 51282 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51282 _Assembly.ID 1 _Assembly.Name Nup358-Min _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Nup358-Min 1 $entity_1 . . yes native no no . . . 51282 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51282 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPLGSDIPLQTPHKLVDTGR AAKLIQRAEEMKSGLKDFKT FLTNDQTKVTEEENKGSGTG AAGASDTTIKPNPENTGPTL EWDNYDLREDALDDSVSS ; _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 98 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 51282 1 2 . PRO . 51282 1 3 . LEU . 51282 1 4 . GLY . 51282 1 5 . SER . 51282 1 6 . ASP . 51282 1 7 . ILE . 51282 1 8 . PRO . 51282 1 9 . LEU . 51282 1 10 . GLN . 51282 1 11 . THR . 51282 1 12 . PRO . 51282 1 13 . HIS . 51282 1 14 . LYS . 51282 1 15 . LEU . 51282 1 16 . VAL . 51282 1 17 . ASP . 51282 1 18 . THR . 51282 1 19 . GLY . 51282 1 20 . ARG . 51282 1 21 . ALA . 51282 1 22 . ALA . 51282 1 23 . LYS . 51282 1 24 . LEU . 51282 1 25 . ILE . 51282 1 26 . GLN . 51282 1 27 . ARG . 51282 1 28 . ALA . 51282 1 29 . GLU . 51282 1 30 . GLU . 51282 1 31 . MET . 51282 1 32 . LYS . 51282 1 33 . SER . 51282 1 34 . GLY . 51282 1 35 . LEU . 51282 1 36 . LYS . 51282 1 37 . ASP . 51282 1 38 . PHE . 51282 1 39 . LYS . 51282 1 40 . THR . 51282 1 41 . PHE . 51282 1 42 . LEU . 51282 1 43 . THR . 51282 1 44 . ASN . 51282 1 45 . ASP . 51282 1 46 . GLN . 51282 1 47 . THR . 51282 1 48 . LYS . 51282 1 49 . VAL . 51282 1 50 . THR . 51282 1 51 . GLU . 51282 1 52 . GLU . 51282 1 53 . GLU . 51282 1 54 . ASN . 51282 1 55 . LYS . 51282 1 56 . GLY . 51282 1 57 . SER . 51282 1 58 . GLY . 51282 1 59 . THR . 51282 1 60 . GLY . 51282 1 61 . ALA . 51282 1 62 . ALA . 51282 1 63 . GLY . 51282 1 64 . ALA . 51282 1 65 . SER . 51282 1 66 . ASP . 51282 1 67 . THR . 51282 1 68 . THR . 51282 1 69 . ILE . 51282 1 70 . LYS . 51282 1 71 . PRO . 51282 1 72 . ASN . 51282 1 73 . PRO . 51282 1 74 . GLU . 51282 1 75 . ASN . 51282 1 76 . THR . 51282 1 77 . GLY . 51282 1 78 . PRO . 51282 1 79 . THR . 51282 1 80 . LEU . 51282 1 81 . GLU . 51282 1 82 . TRP . 51282 1 83 . ASP . 51282 1 84 . ASN . 51282 1 85 . TYR . 51282 1 86 . ASP . 51282 1 87 . LEU . 51282 1 88 . ARG . 51282 1 89 . GLU . 51282 1 90 . ASP . 51282 1 91 . ALA . 51282 1 92 . LEU . 51282 1 93 . ASP . 51282 1 94 . ASP . 51282 1 95 . SER . 51282 1 96 . VAL . 51282 1 97 . SER . 51282 1 98 . SER . 51282 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 51282 1 . PRO 2 2 51282 1 . LEU 3 3 51282 1 . GLY 4 4 51282 1 . SER 5 5 51282 1 . ASP 6 6 51282 1 . ILE 7 7 51282 1 . PRO 8 8 51282 1 . LEU 9 9 51282 1 . GLN 10 10 51282 1 . THR 11 11 51282 1 . PRO 12 12 51282 1 . HIS 13 13 51282 1 . LYS 14 14 51282 1 . LEU 15 15 51282 1 . VAL 16 16 51282 1 . ASP 17 17 51282 1 . THR 18 18 51282 1 . GLY 19 19 51282 1 . ARG 20 20 51282 1 . ALA 21 21 51282 1 . ALA 22 22 51282 1 . LYS 23 23 51282 1 . LEU 24 24 51282 1 . ILE 25 25 51282 1 . GLN 26 26 51282 1 . ARG 27 27 51282 1 . ALA 28 28 51282 1 . GLU 29 29 51282 1 . GLU 30 30 51282 1 . MET 31 31 51282 1 . LYS 32 32 51282 1 . SER 33 33 51282 1 . GLY 34 34 51282 1 . LEU 35 35 51282 1 . LYS 36 36 51282 1 . ASP 37 37 51282 1 . PHE 38 38 51282 1 . LYS 39 39 51282 1 . THR 40 40 51282 1 . PHE 41 41 51282 1 . LEU 42 42 51282 1 . THR 43 43 51282 1 . ASN 44 44 51282 1 . ASP 45 45 51282 1 . GLN 46 46 51282 1 . THR 47 47 51282 1 . LYS 48 48 51282 1 . VAL 49 49 51282 1 . THR 50 50 51282 1 . GLU 51 51 51282 1 . GLU 52 52 51282 1 . GLU 53 53 51282 1 . ASN 54 54 51282 1 . LYS 55 55 51282 1 . GLY 56 56 51282 1 . SER 57 57 51282 1 . GLY 58 58 51282 1 . THR 59 59 51282 1 . GLY 60 60 51282 1 . ALA 61 61 51282 1 . ALA 62 62 51282 1 . GLY 63 63 51282 1 . ALA 64 64 51282 1 . SER 65 65 51282 1 . ASP 66 66 51282 1 . THR 67 67 51282 1 . THR 68 68 51282 1 . ILE 69 69 51282 1 . LYS 70 70 51282 1 . PRO 71 71 51282 1 . ASN 72 72 51282 1 . PRO 73 73 51282 1 . GLU 74 74 51282 1 . ASN 75 75 51282 1 . THR 76 76 51282 1 . GLY 77 77 51282 1 . PRO 78 78 51282 1 . THR 79 79 51282 1 . LEU 80 80 51282 1 . GLU 81 81 51282 1 . TRP 82 82 51282 1 . ASP 83 83 51282 1 . ASN 84 84 51282 1 . TYR 85 85 51282 1 . ASP 86 86 51282 1 . LEU 87 87 51282 1 . ARG 88 88 51282 1 . GLU 89 89 51282 1 . ASP 90 90 51282 1 . ALA 91 91 51282 1 . LEU 92 92 51282 1 . ASP 93 93 51282 1 . ASP 94 94 51282 1 . SER 95 95 51282 1 . VAL 96 96 51282 1 . SER 97 97 51282 1 . SER 98 98 51282 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51282 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 51282 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51282 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pGEX6p1 . . . 51282 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51282 _Sample.ID 1 _Sample.Name Nup358-Min _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Nup358-min '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.2 . . mM . . . . 51282 1 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 51282 1 3 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 51282 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 51282 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'NMR Assignment Conditions' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.5 . pH 51282 1 temperature 298 . K 51282 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51282 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51282 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51282 _Software.ID 2 _Software.Type . _Software.Name SMILE _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'Reconstruction of NUS' . 51282 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51282 _Software.ID 3 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 51282 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 51282 _Software.ID 4 _Software.Type . _Software.Name PINE _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 51282 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51282 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name Hudson _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51282 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51282 1 2 '3D CBCA(CO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51282 1 3 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51282 1 4 '3D HNCA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51282 1 5 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51282 1 6 '3D HN(CA)CO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51282 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51282 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name No _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 water protons . . . . ppm 4.7 na indirect 0.251449530 . . . . . 51282 1 H 1 water protons . . . . ppm 4.7 internal direct 1.00 . . . . . 51282 1 N 15 water protons . . . . ppm 4.7 na indirect 0.101329118 . . . . . 51282 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51282 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Nup358-Min _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 3 '3D HNCO' . . . 51282 1 4 '3D HNCA' . . . 51282 1 5 '3D HNCACB' . . . 51282 1 6 '3D HN(CA)CO' . . . 51282 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 51282 1 3 $software_3 . . 51282 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 PRO C C 13 177.019 0.000 . . . . . . . 2 PRO C . 51282 1 2 . 1 . 1 2 2 PRO CA C 13 63.179 0.000 . . . . . . . 2 PRO CA . 51282 1 3 . 1 . 1 2 2 PRO CB C 13 32.285 0.000 . . . . . . . 2 PRO CB . 51282 1 4 . 1 . 1 3 3 LEU H H 1 8.547 0.000 . . . . . . . 3 LEU H . 51282 1 5 . 1 . 1 3 3 LEU C C 13 177.943 0.000 . . . . . . . 3 LEU C . 51282 1 6 . 1 . 1 3 3 LEU CA C 13 55.388 0.000 . . . . . . . 3 LEU CA . 51282 1 7 . 1 . 1 3 3 LEU CB C 13 42.325 0.000 . . . . . . . 3 LEU CB . 51282 1 8 . 1 . 1 3 3 LEU N N 15 122.334 0.000 . . . . . . . 3 LEU N . 51282 1 9 . 1 . 1 4 4 GLY H H 1 8.429 0.000 . . . . . . . 4 GLY H . 51282 1 10 . 1 . 1 4 4 GLY C C 13 174.366 0.000 . . . . . . . 4 GLY C . 51282 1 11 . 1 . 1 4 4 GLY CA C 13 45.304 0.000 . . . . . . . 4 GLY CA . 51282 1 12 . 1 . 1 4 4 GLY N N 15 110.084 0.000 . . . . . . . 4 GLY N . 51282 1 13 . 1 . 1 5 5 SER H H 1 8.285 0.000 . . . . . . . 5 SER H . 51282 1 14 . 1 . 1 5 5 SER C C 13 174.274 0.000 . . . . . . . 5 SER C . 51282 1 15 . 1 . 1 5 5 SER CA C 13 58.403 0.000 . . . . . . . 5 SER CA . 51282 1 16 . 1 . 1 5 5 SER CB C 13 63.886 0.000 . . . . . . . 5 SER CB . 51282 1 17 . 1 . 1 5 5 SER N N 15 115.670 0.000 . . . . . . . 5 SER N . 51282 1 18 . 1 . 1 6 6 ASP H H 1 8.355 0.000 . . . . . . . 6 ASP H . 51282 1 19 . 1 . 1 6 6 ASP CA C 13 54.354 0.000 . . . . . . . 6 ASP CA . 51282 1 20 . 1 . 1 6 6 ASP CB C 13 41.109 0.000 . . . . . . . 6 ASP CB . 51282 1 21 . 1 . 1 6 6 ASP N N 15 122.348 0.000 . . . . . . . 6 ASP N . 51282 1 22 . 1 . 1 7 7 ILE CB C 13 38.900 0.000 . . . . . . . 7 ILE CB . 51282 1 23 . 1 . 1 8 8 PRO C C 13 176.750 0.000 . . . . . . . 8 PRO C . 51282 1 24 . 1 . 1 8 8 PRO CA C 13 63.115 0.000 . . . . . . . 8 PRO CA . 51282 1 25 . 1 . 1 8 8 PRO CB C 13 32.048 0.000 . . . . . . . 8 PRO CB . 51282 1 26 . 1 . 1 9 9 LEU H H 1 8.288 0.000 . . . . . . . 9 LEU H . 51282 1 27 . 1 . 1 9 9 LEU C C 13 177.470 0.000 . . . . . . . 9 LEU C . 51282 1 28 . 1 . 1 9 9 LEU CA C 13 55.354 0.000 . . . . . . . 9 LEU CA . 51282 1 29 . 1 . 1 9 9 LEU CB C 13 42.433 0.000 . . . . . . . 9 LEU CB . 51282 1 30 . 1 . 1 9 9 LEU N N 15 122.422 0.000 . . . . . . . 9 LEU N . 51282 1 31 . 1 . 1 10 10 GLN H H 1 8.374 0.000 . . . . . . . 10 GLN H . 51282 1 32 . 1 . 1 10 10 GLN C C 13 175.730 0.000 . . . . . . . 10 GLN C . 51282 1 33 . 1 . 1 10 10 GLN CA C 13 55.536 0.000 . . . . . . . 10 GLN CA . 51282 1 34 . 1 . 1 10 10 GLN CB C 13 29.572 0.000 . . . . . . . 10 GLN CB . 51282 1 35 . 1 . 1 10 10 GLN N N 15 121.245 0.000 . . . . . . . 10 GLN N . 51282 1 36 . 1 . 1 11 11 THR H H 1 8.213 0.000 . . . . . . . 11 THR H . 51282 1 37 . 1 . 1 11 11 THR CA C 13 59.837 0.000 . . . . . . . 11 THR CA . 51282 1 38 . 1 . 1 11 11 THR N N 15 117.898 0.000 . . . . . . . 11 THR N . 51282 1 39 . 1 . 1 12 12 PRO C C 13 176.698 0.000 . . . . . . . 12 PRO C . 51282 1 40 . 1 . 1 12 12 PRO CA C 13 63.337 0.000 . . . . . . . 12 PRO CA . 51282 1 41 . 1 . 1 12 12 PRO CB C 13 32.023 0.000 . . . . . . . 12 PRO CB . 51282 1 42 . 1 . 1 13 13 HIS H H 1 8.278 0.000 . . . . . . . 13 HIS H . 51282 1 43 . 1 . 1 13 13 HIS C C 13 175.213 0.000 . . . . . . . 13 HIS C . 51282 1 44 . 1 . 1 13 13 HIS CA C 13 56.238 0.000 . . . . . . . 13 HIS CA . 51282 1 45 . 1 . 1 13 13 HIS CB C 13 30.767 0.000 . . . . . . . 13 HIS CB . 51282 1 46 . 1 . 1 13 13 HIS N N 15 119.870 0.000 . . . . . . . 13 HIS N . 51282 1 47 . 1 . 1 14 14 LYS H H 1 8.193 0.000 . . . . . . . 14 LYS H . 51282 1 48 . 1 . 1 14 14 LYS C C 13 176.049 0.000 . . . . . . . 14 LYS C . 51282 1 49 . 1 . 1 14 14 LYS CA C 13 56.196 0.000 . . . . . . . 14 LYS CA . 51282 1 50 . 1 . 1 14 14 LYS CB C 13 33.171 0.000 . . . . . . . 14 LYS CB . 51282 1 51 . 1 . 1 14 14 LYS N N 15 122.706 0.000 . . . . . . . 14 LYS N . 51282 1 52 . 1 . 1 15 15 LEU H H 1 8.343 0.000 . . . . . . . 15 LEU H . 51282 1 53 . 1 . 1 15 15 LEU CA C 13 55.215 0.000 . . . . . . . 15 LEU CA . 51282 1 54 . 1 . 1 15 15 LEU CB C 13 42.219 0.000 . . . . . . . 15 LEU CB . 51282 1 55 . 1 . 1 15 15 LEU N N 15 124.176 0.000 . . . . . . . 15 LEU N . 51282 1 56 . 1 . 1 16 16 VAL C C 13 175.644 0.000 . . . . . . . 16 VAL C . 51282 1 57 . 1 . 1 16 16 VAL CA C 13 62.201 0.000 . . . . . . . 16 VAL CA . 51282 1 58 . 1 . 1 16 16 VAL CB C 13 32.920 0.000 . . . . . . . 16 VAL CB . 51282 1 59 . 1 . 1 17 17 ASP H H 1 8.429 0.000 . . . . . . . 17 ASP H . 51282 1 60 . 1 . 1 17 17 ASP C C 13 176.698 0.000 . . . . . . . 17 ASP C . 51282 1 61 . 1 . 1 17 17 ASP CA C 13 54.037 0.000 . . . . . . . 17 ASP CA . 51282 1 62 . 1 . 1 17 17 ASP CB C 13 41.304 0.000 . . . . . . . 17 ASP CB . 51282 1 63 . 1 . 1 17 17 ASP N N 15 124.498 0.000 . . . . . . . 17 ASP N . 51282 1 64 . 1 . 1 18 18 THR H H 1 8.242 0.000 . . . . . . . 18 THR H . 51282 1 65 . 1 . 1 18 18 THR C C 13 175.708 0.000 . . . . . . . 18 THR C . 51282 1 66 . 1 . 1 18 18 THR CA C 13 62.403 0.000 . . . . . . . 18 THR CA . 51282 1 67 . 1 . 1 18 18 THR CB C 13 69.409 0.000 . . . . . . . 18 THR CB . 51282 1 68 . 1 . 1 18 18 THR N N 15 115.179 0.000 . . . . . . . 18 THR N . 51282 1 69 . 1 . 1 19 19 GLY H H 1 8.548 0.000 . . . . . . . 19 GLY H . 51282 1 70 . 1 . 1 19 19 GLY C C 13 174.622 0.000 . . . . . . . 19 GLY C . 51282 1 71 . 1 . 1 19 19 GLY CA C 13 45.699 0.000 . . . . . . . 19 GLY CA . 51282 1 72 . 1 . 1 19 19 GLY N N 15 111.052 0.000 . . . . . . . 19 GLY N . 51282 1 73 . 1 . 1 20 20 ARG H H 1 8.046 0.000 . . . . . . . 20 ARG H . 51282 1 74 . 1 . 1 20 20 ARG C C 13 176.582 0.000 . . . . . . . 20 ARG C . 51282 1 75 . 1 . 1 20 20 ARG CA C 13 56.756 0.000 . . . . . . . 20 ARG CA . 51282 1 76 . 1 . 1 20 20 ARG CB C 13 30.624 0.000 . . . . . . . 20 ARG CB . 51282 1 77 . 1 . 1 20 20 ARG N N 15 120.761 0.000 . . . . . . . 20 ARG N . 51282 1 78 . 1 . 1 21 21 ALA H H 1 8.275 0.000 . . . . . . . 21 ALA H . 51282 1 79 . 1 . 1 21 21 ALA C C 13 178.002 0.000 . . . . . . . 21 ALA C . 51282 1 80 . 1 . 1 21 21 ALA CA C 13 53.030 0.000 . . . . . . . 21 ALA CA . 51282 1 81 . 1 . 1 21 21 ALA CB C 13 18.891 0.000 . . . . . . . 21 ALA CB . 51282 1 82 . 1 . 1 21 21 ALA N N 15 124.086 0.000 . . . . . . . 21 ALA N . 51282 1 83 . 1 . 1 22 22 ALA H H 1 8.127 0.000 . . . . . . . 22 ALA H . 51282 1 84 . 1 . 1 22 22 ALA C C 13 178.248 0.000 . . . . . . . 22 ALA C . 51282 1 85 . 1 . 1 22 22 ALA CA C 13 52.984 0.000 . . . . . . . 22 ALA CA . 51282 1 86 . 1 . 1 22 22 ALA CB C 13 18.980 0.000 . . . . . . . 22 ALA CB . 51282 1 87 . 1 . 1 22 22 ALA N N 15 122.598 0.000 . . . . . . . 22 ALA N . 51282 1 88 . 1 . 1 23 23 LYS H H 1 8.095 0.000 . . . . . . . 23 LYS H . 51282 1 89 . 1 . 1 23 23 LYS C C 13 176.829 0.000 . . . . . . . 23 LYS C . 51282 1 90 . 1 . 1 23 23 LYS CA C 13 56.782 0.000 . . . . . . . 23 LYS CA . 51282 1 91 . 1 . 1 23 23 LYS CB C 13 32.837 0.000 . . . . . . . 23 LYS CB . 51282 1 92 . 1 . 1 23 23 LYS N N 15 119.745 0.000 . . . . . . . 23 LYS N . 51282 1 93 . 1 . 1 24 24 LEU H H 1 8.100 0.000 . . . . . . . 24 LEU H . 51282 1 94 . 1 . 1 24 24 LEU C C 13 177.587 0.000 . . . . . . . 24 LEU C . 51282 1 95 . 1 . 1 24 24 LEU CA C 13 55.665 0.000 . . . . . . . 24 LEU CA . 51282 1 96 . 1 . 1 24 24 LEU CB C 13 42.144 0.000 . . . . . . . 24 LEU CB . 51282 1 97 . 1 . 1 24 24 LEU N N 15 122.799 0.000 . . . . . . . 24 LEU N . 51282 1 98 . 1 . 1 25 25 ILE H H 1 8.031 0.000 . . . . . . . 25 ILE H . 51282 1 99 . 1 . 1 25 25 ILE CA C 13 56.556 0.000 . . . . . . . 25 ILE CA . 51282 1 100 . 1 . 1 25 25 ILE CB C 13 38.55 0.000 . . . . . . . 25 ILE CB . 51282 1 101 . 1 . 1 25 25 ILE N N 15 122.128 0.000 . . . . . . . 25 ILE N . 51282 1 102 . 1 . 1 26 26 GLN C C 13 176.134 0.000 . . . . . . . 26 GLN C . 51282 1 103 . 1 . 1 26 26 GLN CA C 13 56.229 0.000 . . . . . . . 26 GLN CA . 51282 1 104 . 1 . 1 26 26 GLN CB C 13 29.411 0.000 . . . . . . . 26 GLN CB . 51282 1 105 . 1 . 1 27 27 ARG H H 1 8.388 0.000 . . . . . . . 27 ARG H . 51282 1 106 . 1 . 1 27 27 ARG C C 13 176.537 0.000 . . . . . . . 27 ARG C . 51282 1 107 . 1 . 1 27 27 ARG CA C 13 56.505 0.000 . . . . . . . 27 ARG CA . 51282 1 108 . 1 . 1 27 27 ARG CB C 13 30.699 0.000 . . . . . . . 27 ARG CB . 51282 1 109 . 1 . 1 27 27 ARG N N 15 122.377 0.000 . . . . . . . 27 ARG N . 51282 1 110 . 1 . 1 28 28 ALA H H 1 8.358 0.000 . . . . . . . 28 ALA H . 51282 1 111 . 1 . 1 28 28 ALA C C 13 178.638 0.000 . . . . . . . 28 ALA C . 51282 1 112 . 1 . 1 28 28 ALA CA C 13 53.510 0.000 . . . . . . . 28 ALA CA . 51282 1 113 . 1 . 1 28 28 ALA CB C 13 18.871 0.000 . . . . . . . 28 ALA CB . 51282 1 114 . 1 . 1 28 28 ALA N N 15 125.034 0.000 . . . . . . . 28 ALA N . 51282 1 115 . 1 . 1 29 29 GLU H H 1 8.501 0.000 . . . . . . . 29 GLU H . 51282 1 116 . 1 . 1 29 29 GLU CA C 13 57.301 0.000 . . . . . . . 29 GLU CA . 51282 1 117 . 1 . 1 29 29 GLU CB C 13 29.913 0.000 . . . . . . . 29 GLU CB . 51282 1 118 . 1 . 1 29 29 GLU N N 15 119.327 0.000 . . . . . . . 29 GLU N . 51282 1 119 . 1 . 1 30 30 GLU CA C 13 57.100 0.000 . . . . . . . 30 GLU CA . 51282 1 120 . 1 . 1 30 30 GLU CB C 13 30.200 0.000 . . . . . . . 30 GLU CB . 51282 1 121 . 1 . 1 31 31 MET C C 13 176.020 0.000 . . . . . . . 31 MET C . 51282 1 122 . 1 . 1 31 31 MET CA C 13 53.385 0.000 . . . . . . . 31 MET CA . 51282 1 123 . 1 . 1 31 31 MET CB C 13 38.691 0.000 . . . . . . . 31 MET CB . 51282 1 124 . 1 . 1 32 32 LYS H H 1 8.313 0.000 . . . . . . . 32 LYS H . 51282 1 125 . 1 . 1 32 32 LYS C C 13 176.857 0.000 . . . . . . . 32 LYS C . 51282 1 126 . 1 . 1 32 32 LYS CA C 13 56.735 0.000 . . . . . . . 32 LYS CA . 51282 1 127 . 1 . 1 32 32 LYS CB C 13 32.853 0.000 . . . . . . . 32 LYS CB . 51282 1 128 . 1 . 1 32 32 LYS N N 15 121.927 0.000 . . . . . . . 32 LYS N . 51282 1 129 . 1 . 1 33 33 SER H H 1 8.246 0.000 . . . . . . . 33 SER H . 51282 1 130 . 1 . 1 33 33 SER C C 13 175.117 0.000 . . . . . . . 33 SER C . 51282 1 131 . 1 . 1 33 33 SER CA C 13 58.742 0.000 . . . . . . . 33 SER CA . 51282 1 132 . 1 . 1 33 33 SER CB C 13 63.830 0.000 . . . . . . . 33 SER CB . 51282 1 133 . 1 . 1 33 33 SER N N 15 116.133 0.000 . . . . . . . 33 SER N . 51282 1 134 . 1 . 1 34 34 GLY H H 1 8.377 0.000 . . . . . . . 34 GLY H . 51282 1 135 . 1 . 1 34 34 GLY CA C 13 45.424 0.000 . . . . . . . 34 GLY CA . 51282 1 136 . 1 . 1 34 34 GLY N N 15 110.625 0.000 . . . . . . . 34 GLY N . 51282 1 137 . 1 . 1 35 35 LEU CA C 13 55.000 0.000 . . . . . . . 35 LEU CA . 51282 1 138 . 1 . 1 35 35 LEU CB C 13 42.400 0.000 . . . . . . . 35 LEU CB . 51282 1 139 . 1 . 1 36 36 LYS C C 13 175.975 0.000 . . . . . . . 36 LYS C . 51282 1 140 . 1 . 1 36 36 LYS CA C 13 56.347 0.000 . . . . . . . 36 LYS CA . 51282 1 141 . 1 . 1 36 36 LYS CB C 13 32.937 0.000 . . . . . . . 36 LYS CB . 51282 1 142 . 1 . 1 37 37 ASP H H 1 8.160 0.000 . . . . . . . 37 ASP H . 51282 1 143 . 1 . 1 37 37 ASP C C 13 177.224 0.000 . . . . . . . 37 ASP C . 51282 1 144 . 1 . 1 37 37 ASP CA C 13 54.075 0.000 . . . . . . . 37 ASP CA . 51282 1 145 . 1 . 1 37 37 ASP CB C 13 41.201 0.000 . . . . . . . 37 ASP CB . 51282 1 146 . 1 . 1 37 37 ASP N N 15 120.657 0.000 . . . . . . . 37 ASP N . 51282 1 147 . 1 . 1 38 38 PHE H H 1 8.110 0.000 . . . . . . . 38 PHE H . 51282 1 148 . 1 . 1 38 38 PHE CA C 13 58.179 0.000 . . . . . . . 38 PHE CA . 51282 1 149 . 1 . 1 38 38 PHE CB C 13 39.350 0.000 . . . . . . . 38 PHE CB . 51282 1 150 . 1 . 1 38 38 PHE N N 15 121.218 0.000 . . . . . . . 38 PHE N . 51282 1 151 . 1 . 1 39 39 LYS C C 13 176.506 0.000 . . . . . . . 39 LYS C . 51282 1 152 . 1 . 1 39 39 LYS CA C 13 56.627 0.000 . . . . . . . 39 LYS CA . 51282 1 153 . 1 . 1 39 39 LYS CB C 13 32.918 0.000 . . . . . . . 39 LYS CB . 51282 1 154 . 1 . 1 40 40 THR H H 1 7.955 0.000 . . . . . . . 40 THR H . 51282 1 155 . 1 . 1 40 40 THR C C 13 174.082 0.000 . . . . . . . 40 THR C . 51282 1 156 . 1 . 1 40 40 THR CA C 13 62.076 0.000 . . . . . . . 40 THR CA . 51282 1 157 . 1 . 1 40 40 THR CB C 13 69.727 0.000 . . . . . . . 40 THR CB . 51282 1 158 . 1 . 1 40 40 THR N N 15 114.509 0.000 . . . . . . . 40 THR N . 51282 1 159 . 1 . 1 41 41 PHE H H 1 8.113 0.000 . . . . . . . 41 PHE H . 51282 1 160 . 1 . 1 41 41 PHE C C 13 175.401 0.000 . . . . . . . 41 PHE C . 51282 1 161 . 1 . 1 41 41 PHE CA C 13 57.648 0.000 . . . . . . . 41 PHE CA . 51282 1 162 . 1 . 1 41 41 PHE CB C 13 39.517 0.000 . . . . . . . 41 PHE CB . 51282 1 163 . 1 . 1 41 41 PHE N N 15 121.975 0.000 . . . . . . . 41 PHE N . 51282 1 164 . 1 . 1 42 42 LEU H H 1 8.164 0.000 . . . . . . . 42 LEU H . 51282 1 165 . 1 . 1 42 42 LEU C C 13 177.262 0.000 . . . . . . . 42 LEU C . 51282 1 166 . 1 . 1 42 42 LEU CA C 13 55.108 0.000 . . . . . . . 42 LEU CA . 51282 1 167 . 1 . 1 42 42 LEU CB C 13 42.479 0.000 . . . . . . . 42 LEU CB . 51282 1 168 . 1 . 1 42 42 LEU N N 15 123.371 0.000 . . . . . . . 42 LEU N . 51282 1 169 . 1 . 1 43 43 THR H H 1 8.084 0.000 . . . . . . . 43 THR H . 51282 1 170 . 1 . 1 43 43 THR C C 13 174.334 0.000 . . . . . . . 43 THR C . 51282 1 171 . 1 . 1 43 43 THR CA C 13 61.714 0.000 . . . . . . . 43 THR CA . 51282 1 172 . 1 . 1 43 43 THR CB C 13 69.821 0.000 . . . . . . . 43 THR CB . 51282 1 173 . 1 . 1 43 43 THR N N 15 114.211 0.000 . . . . . . . 43 THR N . 51282 1 174 . 1 . 1 44 44 ASN H H 1 8.446 0.000 . . . . . . . 44 ASN H . 51282 1 175 . 1 . 1 44 44 ASN C C 13 174.986 0.000 . . . . . . . 44 ASN C . 51282 1 176 . 1 . 1 44 44 ASN CA C 13 53.484 0.000 . . . . . . . 44 ASN CA . 51282 1 177 . 1 . 1 44 44 ASN CB C 13 38.878 0.000 . . . . . . . 44 ASN CB . 51282 1 178 . 1 . 1 44 44 ASN N N 15 120.708 0.000 . . . . . . . 44 ASN N . 51282 1 179 . 1 . 1 45 45 ASP H H 1 8.327 0.000 . . . . . . . 45 ASP H . 51282 1 180 . 1 . 1 45 45 ASP C C 13 176.502 0.000 . . . . . . . 45 ASP C . 51282 1 181 . 1 . 1 45 45 ASP CA C 13 54.632 0.000 . . . . . . . 45 ASP CA . 51282 1 182 . 1 . 1 45 45 ASP CB C 13 41.052 0.000 . . . . . . . 45 ASP CB . 51282 1 183 . 1 . 1 45 45 ASP N N 15 120.619 0.000 . . . . . . . 45 ASP N . 51282 1 184 . 1 . 1 46 46 GLN H H 1 8.373 0.000 . . . . . . . 46 GLN H . 51282 1 185 . 1 . 1 46 46 GLN C C 13 176.451 0.000 . . . . . . . 46 GLN C . 51282 1 186 . 1 . 1 46 46 GLN CA C 13 56.253 0.000 . . . . . . . 46 GLN CA . 51282 1 187 . 1 . 1 46 46 GLN CB C 13 29.189 0.000 . . . . . . . 46 GLN CB . 51282 1 188 . 1 . 1 46 46 GLN N N 15 120.603 0.000 . . . . . . . 46 GLN N . 51282 1 189 . 1 . 1 47 47 THR H H 1 8.199 0.000 . . . . . . . 47 THR H . 51282 1 190 . 1 . 1 47 47 THR C C 13 174.562 0.000 . . . . . . . 47 THR C . 51282 1 191 . 1 . 1 47 47 THR CA C 13 62.711 0.000 . . . . . . . 47 THR CA . 51282 1 192 . 1 . 1 47 47 THR CB C 13 69.590 0.000 . . . . . . . 47 THR CB . 51282 1 193 . 1 . 1 47 47 THR N N 15 114.968 0.000 . . . . . . . 47 THR N . 51282 1 194 . 1 . 1 48 48 LYS H H 1 8.181 0.000 . . . . . . . 48 LYS H . 51282 1 195 . 1 . 1 48 48 LYS CA C 13 52.534 0.000 . . . . . . . 48 LYS CA . 51282 1 196 . 1 . 1 48 48 LYS N N 15 123.939 0.000 . . . . . . . 48 LYS N . 51282 1 197 . 1 . 1 49 49 VAL C C 13 176.464 0.000 . . . . . . . 49 VAL C . 51282 1 198 . 1 . 1 49 49 VAL CA C 13 62.546 0.000 . . . . . . . 49 VAL CA . 51282 1 199 . 1 . 1 49 49 VAL CB C 13 32.631 0.000 . . . . . . . 49 VAL CB . 51282 1 200 . 1 . 1 50 50 THR H H 1 8.239 0.000 . . . . . . . 50 THR H . 51282 1 201 . 1 . 1 50 50 THR C C 13 174.539 0.000 . . . . . . . 50 THR C . 51282 1 202 . 1 . 1 50 50 THR CA C 13 61.978 0.000 . . . . . . . 50 THR CA . 51282 1 203 . 1 . 1 50 50 THR CB C 13 69.851 0.000 . . . . . . . 50 THR CB . 51282 1 204 . 1 . 1 50 50 THR N N 15 118.133 0.000 . . . . . . . 50 THR N . 51282 1 205 . 1 . 1 51 51 GLU H H 1 8.454 0.000 . . . . . . . 51 GLU H . 51282 1 206 . 1 . 1 51 51 GLU CA C 13 56.900 0.000 . . . . . . . 51 GLU CA . 51282 1 207 . 1 . 1 51 51 GLU CB C 13 30.336 0.000 . . . . . . . 51 GLU CB . 51282 1 208 . 1 . 1 51 51 GLU N N 15 123.371 0.000 . . . . . . . 51 GLU N . 51282 1 209 . 1 . 1 52 52 GLU C C 13 176.636 0.000 . . . . . . . 52 GLU C . 51282 1 210 . 1 . 1 52 52 GLU CA C 13 56.916 0.000 . . . . . . . 52 GLU CA . 51282 1 211 . 1 . 1 52 52 GLU CB C 13 30.343 0.000 . . . . . . . 52 GLU CB . 51282 1 212 . 1 . 1 53 53 GLU H H 1 8.435 0.000 . . . . . . . 53 GLU H . 51282 1 213 . 1 . 1 53 53 GLU CA C 13 57.003 0.000 . . . . . . . 53 GLU CA . 51282 1 214 . 1 . 1 53 53 GLU CB C 13 30.308 0.000 . . . . . . . 53 GLU CB . 51282 1 215 . 1 . 1 53 53 GLU N N 15 121.741 0.000 . . . . . . . 53 GLU N . 51282 1 216 . 1 . 1 54 54 ASN C C 13 176.346 0.000 . . . . . . . 54 ASN C . 51282 1 217 . 1 . 1 54 54 ASN CA C 13 56.779 0.000 . . . . . . . 54 ASN CA . 51282 1 218 . 1 . 1 55 55 LYS H H 1 8.334 0.000 . . . . . . . 55 LYS H . 51282 1 219 . 1 . 1 55 55 LYS C C 13 177.257 0.000 . . . . . . . 55 LYS C . 51282 1 220 . 1 . 1 55 55 LYS CA C 13 56.782 0.000 . . . . . . . 55 LYS CA . 51282 1 221 . 1 . 1 55 55 LYS CB C 13 32.789 0.000 . . . . . . . 55 LYS CB . 51282 1 222 . 1 . 1 55 55 LYS N N 15 119.357 0.000 . . . . . . . 55 LYS N . 51282 1 223 . 1 . 1 56 56 GLY H H 1 8.423 0.000 . . . . . . . 56 GLY H . 51282 1 224 . 1 . 1 56 56 GLY C C 13 174.207 0.000 . . . . . . . 56 GLY C . 51282 1 225 . 1 . 1 56 56 GLY CA C 13 45.384 0.000 . . . . . . . 56 GLY CA . 51282 1 226 . 1 . 1 56 56 GLY N N 15 109.526 0.000 . . . . . . . 56 GLY N . 51282 1 227 . 1 . 1 57 57 SER H H 1 8.180 0.000 . . . . . . . 57 SER H . 51282 1 228 . 1 . 1 57 57 SER C C 13 175.420 0.000 . . . . . . . 57 SER C . 51282 1 229 . 1 . 1 57 57 SER CA C 13 62.028 0.000 . . . . . . . 57 SER CA . 51282 1 230 . 1 . 1 57 57 SER N N 15 115.258 0.000 . . . . . . . 57 SER N . 51282 1 231 . 1 . 1 58 58 GLY H H 1 8.485 0.000 . . . . . . . 58 GLY H . 51282 1 232 . 1 . 1 58 58 GLY C C 13 174.606 0.000 . . . . . . . 58 GLY C . 51282 1 233 . 1 . 1 58 58 GLY CA C 13 45.444 0.000 . . . . . . . 58 GLY CA . 51282 1 234 . 1 . 1 58 58 GLY N N 15 111.444 0.000 . . . . . . . 58 GLY N . 51282 1 235 . 1 . 1 59 59 THR H H 1 8.155 0.000 . . . . . . . 59 THR H . 51282 1 236 . 1 . 1 59 59 THR C C 13 174.750 0.000 . . . . . . . 59 THR C . 51282 1 237 . 1 . 1 59 59 THR CA C 13 61.767 0.000 . . . . . . . 59 THR CA . 51282 1 238 . 1 . 1 59 59 THR CB C 13 69.770 0.000 . . . . . . . 59 THR CB . 51282 1 239 . 1 . 1 59 59 THR N N 15 113.015 0.000 . . . . . . . 59 THR N . 51282 1 240 . 1 . 1 60 60 GLY H H 1 8.256 0.000 . . . . . . . 60 GLY H . 51282 1 241 . 1 . 1 60 60 GLY C C 13 173.962 0.000 . . . . . . . 60 GLY C . 51282 1 242 . 1 . 1 60 60 GLY CA C 13 45.303 0.000 . . . . . . . 60 GLY CA . 51282 1 243 . 1 . 1 60 60 GLY N N 15 110.993 0.000 . . . . . . . 60 GLY N . 51282 1 244 . 1 . 1 61 61 ALA H H 1 8.170 0.000 . . . . . . . 61 ALA H . 51282 1 245 . 1 . 1 61 61 ALA C C 13 177.707 0.000 . . . . . . . 61 ALA C . 51282 1 246 . 1 . 1 61 61 ALA CA C 13 52.478 0.000 . . . . . . . 61 ALA CA . 51282 1 247 . 1 . 1 61 61 ALA CB C 13 19.233 0.000 . . . . . . . 61 ALA CB . 51282 1 248 . 1 . 1 61 61 ALA N N 15 124.071 0.000 . . . . . . . 61 ALA N . 51282 1 249 . 1 . 1 62 62 ALA H H 1 8.353 0.000 . . . . . . . 62 ALA H . 51282 1 250 . 1 . 1 62 62 ALA C C 13 178.360 0.000 . . . . . . . 62 ALA C . 51282 1 251 . 1 . 1 62 62 ALA CA C 13 52.711 0.000 . . . . . . . 62 ALA CA . 51282 1 252 . 1 . 1 62 62 ALA CB C 13 19.037 0.000 . . . . . . . 62 ALA CB . 51282 1 253 . 1 . 1 62 62 ALA N N 15 123.481 0.000 . . . . . . . 62 ALA N . 51282 1 254 . 1 . 1 63 63 GLY H H 1 8.330 0.000 . . . . . . . 63 GLY H . 51282 1 255 . 1 . 1 63 63 GLY C C 13 175.851 0.000 . . . . . . . 63 GLY C . 51282 1 256 . 1 . 1 63 63 GLY CA C 13 45.190 0.000 . . . . . . . 63 GLY CA . 51282 1 257 . 1 . 1 63 63 GLY N N 15 108.341 0.000 . . . . . . . 63 GLY N . 51282 1 258 . 1 . 1 64 64 ALA H H 1 8.132 0.000 . . . . . . . 64 ALA H . 51282 1 259 . 1 . 1 64 64 ALA C C 13 177.943 0.000 . . . . . . . 64 ALA C . 51282 1 260 . 1 . 1 64 64 ALA CA C 13 52.534 0.000 . . . . . . . 64 ALA CA . 51282 1 261 . 1 . 1 64 64 ALA CB C 13 19.376 0.000 . . . . . . . 64 ALA CB . 51282 1 262 . 1 . 1 64 64 ALA N N 15 123.770 0.000 . . . . . . . 64 ALA N . 51282 1 263 . 1 . 1 65 65 SER H H 1 8.348 0.000 . . . . . . . 65 SER H . 51282 1 264 . 1 . 1 65 65 SER C C 13 174.223 0.000 . . . . . . . 65 SER C . 51282 1 265 . 1 . 1 65 65 SER CA C 13 58.385 0.000 . . . . . . . 65 SER CA . 51282 1 266 . 1 . 1 65 65 SER CB C 13 63.922 0.000 . . . . . . . 65 SER CB . 51282 1 267 . 1 . 1 65 65 SER N N 15 115.021 0.000 . . . . . . . 65 SER N . 51282 1 268 . 1 . 1 66 66 ASP H H 1 8.463 0.000 . . . . . . . 66 ASP H . 51282 1 269 . 1 . 1 66 66 ASP C C 13 176.632 0.000 . . . . . . . 66 ASP C . 51282 1 270 . 1 . 1 66 66 ASP CA C 13 54.330 0.000 . . . . . . . 66 ASP CA . 51282 1 271 . 1 . 1 66 66 ASP CB C 13 41.099 0.000 . . . . . . . 66 ASP CB . 51282 1 272 . 1 . 1 66 66 ASP N N 15 122.343 0.000 . . . . . . . 66 ASP N . 51282 1 273 . 1 . 1 67 67 THR H H 1 8.185 0.000 . . . . . . . 67 THR H . 51282 1 274 . 1 . 1 67 67 THR C C 13 174.874 0.000 . . . . . . . 67 THR C . 51282 1 275 . 1 . 1 67 67 THR CA C 13 61.920 0.000 . . . . . . . 67 THR CA . 51282 1 276 . 1 . 1 67 67 THR CB C 13 69.470 0.000 . . . . . . . 67 THR CB . 51282 1 277 . 1 . 1 67 67 THR N N 15 114.339 0.000 . . . . . . . 67 THR N . 51282 1 278 . 1 . 1 68 68 THR H H 1 8.222 0.000 . . . . . . . 68 THR H . 51282 1 279 . 1 . 1 68 68 THR C C 13 174.406 0.000 . . . . . . . 68 THR C . 51282 1 280 . 1 . 1 68 68 THR CA C 13 62.522 0.000 . . . . . . . 68 THR CA . 51282 1 281 . 1 . 1 68 68 THR CB C 13 69.831 0.000 . . . . . . . 68 THR CB . 51282 1 282 . 1 . 1 68 68 THR N N 15 117.007 0.000 . . . . . . . 68 THR N . 51282 1 283 . 1 . 1 69 69 ILE H H 1 8.093 0.000 . . . . . . . 69 ILE H . 51282 1 284 . 1 . 1 69 69 ILE C C 13 175.798 0.000 . . . . . . . 69 ILE C . 51282 1 285 . 1 . 1 69 69 ILE CA C 13 60.963 0.000 . . . . . . . 69 ILE CA . 51282 1 286 . 1 . 1 69 69 ILE CB C 13 38.421 0.000 . . . . . . . 69 ILE CB . 51282 1 287 . 1 . 1 69 69 ILE N N 15 123.985 0.000 . . . . . . . 69 ILE N . 51282 1 288 . 1 . 1 70 70 LYS H H 1 8.416 0.000 . . . . . . . 70 LYS H . 51282 1 289 . 1 . 1 70 70 LYS CA C 13 53.910 0.000 . . . . . . . 70 LYS CA . 51282 1 290 . 1 . 1 70 70 LYS CB C 13 32.532 0.000 . . . . . . . 70 LYS CB . 51282 1 291 . 1 . 1 70 70 LYS N N 15 127.676 0.000 . . . . . . . 70 LYS N . 51282 1 292 . 1 . 1 71 71 PRO C C 13 176.310 0.000 . . . . . . . 71 PRO C . 51282 1 293 . 1 . 1 71 71 PRO CA C 13 62.904 0.000 . . . . . . . 71 PRO CA . 51282 1 294 . 1 . 1 71 71 PRO CB C 13 32.061 0.000 . . . . . . . 71 PRO CB . 51282 1 295 . 1 . 1 72 72 ASN H H 1 8.538 0.000 . . . . . . . 72 ASN H . 51282 1 296 . 1 . 1 72 72 ASN CA C 13 51.251 0.000 . . . . . . . 72 ASN CA . 51282 1 297 . 1 . 1 72 72 ASN CB C 13 38.686 0.000 . . . . . . . 72 ASN CB . 51282 1 298 . 1 . 1 72 72 ASN N N 15 120.012 0.000 . . . . . . . 72 ASN N . 51282 1 299 . 1 . 1 73 73 PRO C C 13 177.006 0.000 . . . . . . . 73 PRO C . 51282 1 300 . 1 . 1 73 73 PRO CA C 13 63.54 0.000 . . . . . . . 73 PRO CA . 51282 1 301 . 1 . 1 73 73 PRO CB C 13 32.043 0.000 . . . . . . . 73 PRO CB . 51282 1 302 . 1 . 1 74 74 GLU H H 1 8.451 0.000 . . . . . . . 74 GLU H . 51282 1 303 . 1 . 1 74 74 GLU C C 13 176.356 0.000 . . . . . . . 74 GLU C . 51282 1 304 . 1 . 1 74 74 GLU CA C 13 56.772 0.000 . . . . . . . 74 GLU CA . 51282 1 305 . 1 . 1 74 74 GLU CB C 13 30.035 0.000 . . . . . . . 74 GLU CB . 51282 1 306 . 1 . 1 74 74 GLU N N 15 119.765 0.000 . . . . . . . 74 GLU N . 51282 1 307 . 1 . 1 75 75 ASN H H 1 8.335 0.000 . . . . . . . 75 ASN H . 51282 1 308 . 1 . 1 75 75 ASN C C 13 175.285 0.000 . . . . . . . 75 ASN C . 51282 1 309 . 1 . 1 75 75 ASN CA C 13 53.185 0.000 . . . . . . . 75 ASN CA . 51282 1 310 . 1 . 1 75 75 ASN CB C 13 38.842 0.000 . . . . . . . 75 ASN CB . 51282 1 311 . 1 . 1 75 75 ASN N N 15 119.179 0.000 . . . . . . . 75 ASN N . 51282 1 312 . 1 . 1 76 76 THR H H 1 8.129 0.000 . . . . . . . 76 THR H . 51282 1 313 . 1 . 1 76 76 THR C C 13 174.769 0.000 . . . . . . . 76 THR C . 51282 1 314 . 1 . 1 76 76 THR CA C 13 61.753 0.000 . . . . . . . 76 THR CA . 51282 1 315 . 1 . 1 76 76 THR CB C 13 69.792 0.000 . . . . . . . 76 THR CB . 51282 1 316 . 1 . 1 76 76 THR N N 15 113.901 0.000 . . . . . . . 76 THR N . 51282 1 317 . 1 . 1 77 77 GLY H H 1 8.252 0.000 . . . . . . . 77 GLY H . 51282 1 318 . 1 . 1 77 77 GLY CA C 13 44.695 0.000 . . . . . . . 77 GLY CA . 51282 1 319 . 1 . 1 77 77 GLY N N 15 111.285 0.000 . . . . . . . 77 GLY N . 51282 1 320 . 1 . 1 78 78 PRO CA C 13 62.672 0.000 . . . . . . . 78 PRO CA . 51282 1 321 . 1 . 1 78 78 PRO CB C 13 34.463 0.000 . . . . . . . 78 PRO CB . 51282 1 322 . 1 . 1 79 79 THR H H 1 8.452 0.000 . . . . . . . 79 THR H . 51282 1 323 . 1 . 1 79 79 THR C C 13 174.408 0.000 . . . . . . . 79 THR C . 51282 1 324 . 1 . 1 79 79 THR CA C 13 61.949 0.000 . . . . . . . 79 THR CA . 51282 1 325 . 1 . 1 79 79 THR CB C 13 69.761 0.000 . . . . . . . 79 THR CB . 51282 1 326 . 1 . 1 79 79 THR N N 15 122.672 0.000 . . . . . . . 79 THR N . 51282 1 327 . 1 . 1 80 80 LEU H H 1 8.260 0.000 . . . . . . . 80 LEU H . 51282 1 328 . 1 . 1 80 80 LEU C C 13 177.049 0.000 . . . . . . . 80 LEU C . 51282 1 329 . 1 . 1 80 80 LEU CA C 13 55.121 0.000 . . . . . . . 80 LEU CA . 51282 1 330 . 1 . 1 80 80 LEU CB C 13 42.317 0.000 . . . . . . . 80 LEU CB . 51282 1 331 . 1 . 1 80 80 LEU N N 15 125.018 0.000 . . . . . . . 80 LEU N . 51282 1 332 . 1 . 1 81 81 GLU H H 1 8.266 0.000 . . . . . . . 81 GLU H . 51282 1 333 . 1 . 1 81 81 GLU C C 13 176.043 0.000 . . . . . . . 81 GLU C . 51282 1 334 . 1 . 1 81 81 GLU CA C 13 56.651 0.000 . . . . . . . 81 GLU CA . 51282 1 335 . 1 . 1 81 81 GLU CB C 13 30.292 0.000 . . . . . . . 81 GLU CB . 51282 1 336 . 1 . 1 81 81 GLU N N 15 121.326 0.000 . . . . . . . 81 GLU N . 51282 1 337 . 1 . 1 82 82 TRP H H 1 8.008 0.000 . . . . . . . 82 TRP H . 51282 1 338 . 1 . 1 82 82 TRP CA C 13 57.131 0.000 . . . . . . . 82 TRP CA . 51282 1 339 . 1 . 1 82 82 TRP CB C 13 30.015 0.000 . . . . . . . 82 TRP CB . 51282 1 340 . 1 . 1 82 82 TRP N N 15 121.390 0.000 . . . . . . . 82 TRP N . 51282 1 341 . 1 . 1 83 83 ASP C C 13 175.841 0.000 . . . . . . . 83 ASP C . 51282 1 342 . 1 . 1 83 83 ASP CA C 13 58.600 0.000 . . . . . . . 83 ASP CA . 51282 1 343 . 1 . 1 83 83 ASP CB C 13 41.020 0.000 . . . . . . . 83 ASP CB . 51282 1 344 . 1 . 1 84 84 ASN H H 1 7.963 0.000 . . . . . . . 84 ASN H . 51282 1 345 . 1 . 1 84 84 ASN CA C 13 54.311 0.000 . . . . . . . 84 ASN CA . 51282 1 346 . 1 . 1 84 84 ASN N N 15 122.323 0.000 . . . . . . . 84 ASN N . 51282 1 347 . 1 . 1 85 85 TYR C C 13 175.547 0.000 . . . . . . . 85 TYR C . 51282 1 348 . 1 . 1 85 85 TYR CA C 13 58.358 0.000 . . . . . . . 85 TYR CA . 51282 1 349 . 1 . 1 85 85 TYR CB C 13 38.557 0.000 . . . . . . . 85 TYR CB . 51282 1 350 . 1 . 1 86 86 ASP H H 1 8.244 0.000 . . . . . . . 86 ASP H . 51282 1 351 . 1 . 1 86 86 ASP C C 13 175.704 0.000 . . . . . . . 86 ASP C . 51282 1 352 . 1 . 1 86 86 ASP CA C 13 54.352 0.000 . . . . . . . 86 ASP CA . 51282 1 353 . 1 . 1 86 86 ASP CB C 13 41.003 0.000 . . . . . . . 86 ASP CB . 51282 1 354 . 1 . 1 86 86 ASP N N 15 121.488 0.000 . . . . . . . 86 ASP N . 51282 1 355 . 1 . 1 87 87 LEU H H 1 7.973 0.000 . . . . . . . 87 LEU H . 51282 1 356 . 1 . 1 87 87 LEU C C 13 175.773 0.000 . . . . . . . 87 LEU C . 51282 1 357 . 1 . 1 87 87 LEU CA C 13 55.146 0.000 . . . . . . . 87 LEU CA . 51282 1 358 . 1 . 1 87 87 LEU CB C 13 42.092 0.000 . . . . . . . 87 LEU CB . 51282 1 359 . 1 . 1 87 87 LEU N N 15 122.311 0.000 . . . . . . . 87 LEU N . 51282 1 360 . 1 . 1 88 88 ARG H H 1 8.191 0.000 . . . . . . . 88 ARG H . 51282 1 361 . 1 . 1 88 88 ARG C C 13 176.451 0.000 . . . . . . . 88 ARG C . 51282 1 362 . 1 . 1 88 88 ARG CA C 13 56.138 0.000 . . . . . . . 88 ARG CA . 51282 1 363 . 1 . 1 88 88 ARG CB C 13 30.759 0.000 . . . . . . . 88 ARG CB . 51282 1 364 . 1 . 1 88 88 ARG N N 15 122.190 0.000 . . . . . . . 88 ARG N . 51282 1 365 . 1 . 1 89 89 GLU H H 1 8.489 0.000 . . . . . . . 89 GLU H . 51282 1 366 . 1 . 1 89 89 GLU C C 13 176.237 0.000 . . . . . . . 89 GLU C . 51282 1 367 . 1 . 1 89 89 GLU CA C 13 56.778 0.000 . . . . . . . 89 GLU CA . 51282 1 368 . 1 . 1 89 89 GLU CB C 13 30.423 0.000 . . . . . . . 89 GLU CB . 51282 1 369 . 1 . 1 89 89 GLU N N 15 122.102 0.000 . . . . . . . 89 GLU N . 51282 1 370 . 1 . 1 90 90 ASP H H 1 8.342 0.000 . . . . . . . 90 ASP H . 51282 1 371 . 1 . 1 90 90 ASP C C 13 177.166 0.000 . . . . . . . 90 ASP C . 51282 1 372 . 1 . 1 90 90 ASP CA C 13 54.288 0.000 . . . . . . . 90 ASP CA . 51282 1 373 . 1 . 1 90 90 ASP CB C 13 41.127 0.000 . . . . . . . 90 ASP CB . 51282 1 374 . 1 . 1 90 90 ASP N N 15 120.933 0.000 . . . . . . . 90 ASP N . 51282 1 375 . 1 . 1 91 91 ALA H H 1 8.244 0.000 . . . . . . . 91 ALA H . 51282 1 376 . 1 . 1 91 91 ALA C C 13 177.579 0.000 . . . . . . . 91 ALA C . 51282 1 377 . 1 . 1 91 91 ALA CA C 13 52.444 0.000 . . . . . . . 91 ALA CA . 51282 1 378 . 1 . 1 91 91 ALA CB C 13 19.232 0.000 . . . . . . . 91 ALA CB . 51282 1 379 . 1 . 1 91 91 ALA N N 15 121.315 0.000 . . . . . . . 91 ALA N . 51282 1 380 . 1 . 1 92 92 LEU H H 1 8.197 0.000 . . . . . . . 92 LEU H . 51282 1 381 . 1 . 1 92 92 LEU C C 13 177.517 0.000 . . . . . . . 92 LEU C . 51282 1 382 . 1 . 1 92 92 LEU CA C 13 55.205 0.000 . . . . . . . 92 LEU CA . 51282 1 383 . 1 . 1 92 92 LEU CB C 13 42.305 0.000 . . . . . . . 92 LEU CB . 51282 1 384 . 1 . 1 92 92 LEU N N 15 121.354 0.000 . . . . . . . 92 LEU N . 51282 1 385 . 1 . 1 93 93 ASP H H 1 8.264 0.000 . . . . . . . 93 ASP H . 51282 1 386 . 1 . 1 93 93 ASP C C 13 175.759 0.000 . . . . . . . 93 ASP C . 51282 1 387 . 1 . 1 93 93 ASP CA C 13 53.343 0.000 . . . . . . . 93 ASP CA . 51282 1 388 . 1 . 1 93 93 ASP CB C 13 41.295 0.000 . . . . . . . 93 ASP CB . 51282 1 389 . 1 . 1 93 93 ASP N N 15 121.440 0.000 . . . . . . . 93 ASP N . 51282 1 390 . 1 . 1 94 94 ASP H H 1 8.162 0.000 . . . . . . . 94 ASP H . 51282 1 391 . 1 . 1 94 94 ASP C C 13 176.584 0.000 . . . . . . . 94 ASP C . 51282 1 392 . 1 . 1 94 94 ASP CA C 13 54.316 0.000 . . . . . . . 94 ASP CA . 51282 1 393 . 1 . 1 94 94 ASP CB C 13 40.946 0.000 . . . . . . . 94 ASP CB . 51282 1 394 . 1 . 1 94 94 ASP N N 15 121.597 0.000 . . . . . . . 94 ASP N . 51282 1 395 . 1 . 1 95 95 SER H H 1 8.339 0.000 . . . . . . . 95 SER H . 51282 1 396 . 1 . 1 95 95 SER C C 13 174.708 0.000 . . . . . . . 95 SER C . 51282 1 397 . 1 . 1 95 95 SER CA C 13 59.087 0.000 . . . . . . . 95 SER CA . 51282 1 398 . 1 . 1 95 95 SER CB C 13 63.957 0.000 . . . . . . . 95 SER CB . 51282 1 399 . 1 . 1 95 95 SER N N 15 116.084 0.000 . . . . . . . 95 SER N . 51282 1 400 . 1 . 1 96 96 VAL H H 1 8.004 0.000 . . . . . . . 96 VAL H . 51282 1 401 . 1 . 1 96 96 VAL C C 13 176.176 0.000 . . . . . . . 96 VAL C . 51282 1 402 . 1 . 1 96 96 VAL CA C 13 62.267 0.000 . . . . . . . 96 VAL CA . 51282 1 403 . 1 . 1 96 96 VAL CB C 13 32.704 0.000 . . . . . . . 96 VAL CB . 51282 1 404 . 1 . 1 96 96 VAL N N 15 121.076 0.000 . . . . . . . 96 VAL N . 51282 1 405 . 1 . 1 97 97 SER H H 1 8.366 0.000 . . . . . . . 97 SER H . 51282 1 406 . 1 . 1 97 97 SER C C 13 173.312 0.000 . . . . . . . 97 SER C . 51282 1 407 . 1 . 1 97 97 SER CA C 13 58.215 0.000 . . . . . . . 97 SER CA . 51282 1 408 . 1 . 1 97 97 SER CB C 13 64.095 0.000 . . . . . . . 97 SER CB . 51282 1 409 . 1 . 1 97 97 SER N N 15 119.914 0.000 . . . . . . . 97 SER N . 51282 1 410 . 1 . 1 98 98 SER H H 1 8.018 0.000 . . . . . . . 98 SER H . 51282 1 411 . 1 . 1 98 98 SER CA C 13 59.900 0.000 . . . . . . . 98 SER CA . 51282 1 412 . 1 . 1 98 98 SER CB C 13 64.900 0.000 . . . . . . . 98 SER CB . 51282 1 413 . 1 . 1 98 98 SER N N 15 123.628 0.000 . . . . . . . 98 SER N . 51282 1 stop_ save_