data_26322 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 26322 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignment for Tid1 e-JD ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-12-06 _Entry.Accession_date 2021-12-10 _Entry.Last_release_date 2021-12-09 _Entry.Original_release_date 2021-12-09 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.0.16 _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 Jinhwa Jang . . . . 26322 2 Sung-Hee Lee . . . . 26322 3 Dong-Hoon Kang . . . . 26322 4 Ji-Hun Kim . . . . 26322 5 Dea-Won Sim . . . . 26322 6 Kyu-Sung Jo . . . . 26322 7 Hyung-Sik Won . . . . 26322 8 Kyung-Suk Ryu . . . . 26322 9 Eun-Hee Kim . . . . 26322 10 Hyojung Ryu . . . . 26322 11 Jin-Hyeok Lee . . . . 26322 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26322 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 271 26322 '15N chemical shifts' 92 26322 '1H chemical shifts' 91 26322 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2022-06-06 . original BMRB . 26322 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 26322 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 13C, and 15N Assigned Chemical Shifts for Tid1 e-JD ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'BMB reports' _Citation.Journal_name_full . _Citation.Journal_volume . _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 . _Citation.Page_last . _Citation.Year . _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 Jinhwa Jang . . . . 26322 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 26322 _Assembly.ID 1 _Assembly.Name Tid1-eJD _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 Tid1-eJD 1 $entity_1 . . yes native no no . . . 26322 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 26322 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Tid1-eJD _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 ; HMLAKEDYYQILGVPRNASQ KEIKKAYYQLAKKYHPDTNK DDPKAKEKFSQLAEAYEVLS DEVKRKQYDAYGSAGFDPGA SGSQHSYWKGGPTVDPEELF RKIFGE ; _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 106 _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 HIS . 26322 1 2 2 MET . 26322 1 3 3 LEU . 26322 1 4 4 ALA . 26322 1 5 5 LYS . 26322 1 6 6 GLU . 26322 1 7 7 ASP . 26322 1 8 8 TYR . 26322 1 9 9 TYR . 26322 1 10 10 GLN . 26322 1 11 11 ILE . 26322 1 12 12 LEU . 26322 1 13 13 GLY . 26322 1 14 14 VAL . 26322 1 15 15 PRO . 26322 1 16 16 ARG . 26322 1 17 17 ASN . 26322 1 18 18 ALA . 26322 1 19 19 SER . 26322 1 20 20 GLN . 26322 1 21 21 LYS . 26322 1 22 22 GLU . 26322 1 23 23 ILE . 26322 1 24 24 LYS . 26322 1 25 25 LYS . 26322 1 26 26 ALA . 26322 1 27 27 TYR . 26322 1 28 28 TYR . 26322 1 29 29 GLN . 26322 1 30 30 LEU . 26322 1 31 31 ALA . 26322 1 32 32 LYS . 26322 1 33 33 LYS . 26322 1 34 34 TYR . 26322 1 35 35 HIS . 26322 1 36 36 PRO . 26322 1 37 37 ASP . 26322 1 38 38 THR . 26322 1 39 39 ASN . 26322 1 40 40 LYS . 26322 1 41 41 ASP . 26322 1 42 42 ASP . 26322 1 43 43 PRO . 26322 1 44 44 LYS . 26322 1 45 45 ALA . 26322 1 46 46 LYS . 26322 1 47 47 GLU . 26322 1 48 48 LYS . 26322 1 49 49 PHE . 26322 1 50 50 SER . 26322 1 51 51 GLN . 26322 1 52 52 LEU . 26322 1 53 53 ALA . 26322 1 54 54 GLU . 26322 1 55 55 ALA . 26322 1 56 56 TYR . 26322 1 57 57 GLU . 26322 1 58 58 VAL . 26322 1 59 59 LEU . 26322 1 60 60 SER . 26322 1 61 61 ASP . 26322 1 62 62 GLU . 26322 1 63 63 VAL . 26322 1 64 64 LYS . 26322 1 65 65 ARG . 26322 1 66 66 LYS . 26322 1 67 67 GLN . 26322 1 68 68 TYR . 26322 1 69 69 ASP . 26322 1 70 70 ALA . 26322 1 71 71 TYR . 26322 1 72 72 GLY . 26322 1 73 73 SER . 26322 1 74 74 ALA . 26322 1 75 75 GLY . 26322 1 76 76 PHE . 26322 1 77 77 ASP . 26322 1 78 78 PRO . 26322 1 79 79 GLY . 26322 1 80 80 ALA . 26322 1 81 81 SER . 26322 1 82 82 GLY . 26322 1 83 83 SER . 26322 1 84 84 GLN . 26322 1 85 85 HIS . 26322 1 86 86 SER . 26322 1 87 87 TYR . 26322 1 88 88 TRP . 26322 1 89 89 LYS . 26322 1 90 90 GLY . 26322 1 91 91 GLY . 26322 1 92 92 PRO . 26322 1 93 93 THR . 26322 1 94 94 VAL . 26322 1 95 95 ASP . 26322 1 96 96 PRO . 26322 1 97 97 GLU . 26322 1 98 98 GLU . 26322 1 99 99 LEU . 26322 1 100 100 PHE . 26322 1 101 101 ARG . 26322 1 102 102 LYS . 26322 1 103 103 ILE . 26322 1 104 104 PHE . 26322 1 105 105 GLY . 26322 1 106 106 GLU . 26322 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 . HIS 1 1 26322 1 . MET 2 2 26322 1 . LEU 3 3 26322 1 . ALA 4 4 26322 1 . LYS 5 5 26322 1 . GLU 6 6 26322 1 . ASP 7 7 26322 1 . TYR 8 8 26322 1 . TYR 9 9 26322 1 . GLN 10 10 26322 1 . ILE 11 11 26322 1 . LEU 12 12 26322 1 . GLY 13 13 26322 1 . VAL 14 14 26322 1 . PRO 15 15 26322 1 . ARG 16 16 26322 1 . ASN 17 17 26322 1 . ALA 18 18 26322 1 . SER 19 19 26322 1 . GLN 20 20 26322 1 . LYS 21 21 26322 1 . GLU 22 22 26322 1 . ILE 23 23 26322 1 . LYS 24 24 26322 1 . LYS 25 25 26322 1 . ALA 26 26 26322 1 . TYR 27 27 26322 1 . TYR 28 28 26322 1 . GLN 29 29 26322 1 . LEU 30 30 26322 1 . ALA 31 31 26322 1 . LYS 32 32 26322 1 . LYS 33 33 26322 1 . TYR 34 34 26322 1 . HIS 35 35 26322 1 . PRO 36 36 26322 1 . ASP 37 37 26322 1 . THR 38 38 26322 1 . ASN 39 39 26322 1 . LYS 40 40 26322 1 . ASP 41 41 26322 1 . ASP 42 42 26322 1 . PRO 43 43 26322 1 . LYS 44 44 26322 1 . ALA 45 45 26322 1 . LYS 46 46 26322 1 . GLU 47 47 26322 1 . LYS 48 48 26322 1 . PHE 49 49 26322 1 . SER 50 50 26322 1 . GLN 51 51 26322 1 . LEU 52 52 26322 1 . ALA 53 53 26322 1 . GLU 54 54 26322 1 . ALA 55 55 26322 1 . TYR 56 56 26322 1 . GLU 57 57 26322 1 . VAL 58 58 26322 1 . LEU 59 59 26322 1 . SER 60 60 26322 1 . ASP 61 61 26322 1 . GLU 62 62 26322 1 . VAL 63 63 26322 1 . LYS 64 64 26322 1 . ARG 65 65 26322 1 . LYS 66 66 26322 1 . GLN 67 67 26322 1 . TYR 68 68 26322 1 . ASP 69 69 26322 1 . ALA 70 70 26322 1 . TYR 71 71 26322 1 . GLY 72 72 26322 1 . SER 73 73 26322 1 . ALA 74 74 26322 1 . GLY 75 75 26322 1 . PHE 76 76 26322 1 . ASP 77 77 26322 1 . PRO 78 78 26322 1 . GLY 79 79 26322 1 . ALA 80 80 26322 1 . SER 81 81 26322 1 . GLY 82 82 26322 1 . SER 83 83 26322 1 . GLN 84 84 26322 1 . HIS 85 85 26322 1 . SER 86 86 26322 1 . TYR 87 87 26322 1 . TRP 88 88 26322 1 . LYS 89 89 26322 1 . GLY 90 90 26322 1 . GLY 91 91 26322 1 . PRO 92 92 26322 1 . THR 93 93 26322 1 . VAL 94 94 26322 1 . ASP 95 95 26322 1 . PRO 96 96 26322 1 . GLU 97 97 26322 1 . GLU 98 98 26322 1 . LEU 99 99 26322 1 . PHE 100 100 26322 1 . ARG 101 101 26322 1 . LYS 102 102 26322 1 . ILE 103 103 26322 1 . PHE 104 104 26322 1 . GLY 105 105 26322 1 . GLU 106 106 26322 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 26322 _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 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 26322 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 26322 _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 . 'purified from the natural source' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 26322 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26322 _Sample.ID 1 _Sample.Name Tid1-eJD _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 2 _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 Tid1-eJD '[U-13C; U-15N]' 1 $assembly_1 1 $entity_1 . protein 200 . . uM . . . . 26322 1 2 TRIS 'natural abundance' . . . . . buffer 20 . . mM . . . . 26322 1 3 'sodium chloride' 'natural abundance' . . . . . salt 150 . . mM . . . . 26322 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 26322 1 5 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 26322 1 6 D2O [U-2H] . . . . . solvent 10 . . % . . . . 26322 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 26322 _Sample_condition_list.ID 1 _Sample_condition_list.Name Tid1-eJD _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' 0.15 . M 26322 1 pH 8.0 . pH 26322 1 pressure 1 . atm 26322 1 temperature 298 . K 26322 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 26322 _Software.ID 1 _Software.Type . _Software.Name NMRViewJ _Software.Version 2.4 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 26322 1 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 26322 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 800' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AR81 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 26322 _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 HSQC no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26322 1 2 HNCACB no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26322 1 3 HN(CO)CACB no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26322 1 4 HNCO no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26322 1 5 HN(CA)CO no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26322 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 26322 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name Tid1-eJD _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 . . . . . 26322 1 H 1 water protons . . . . ppm 4.7 na direct 1 . . . . . 26322 1 N 15 water protons . . . . ppm 4.7 na indirect 0.101329118 . . . . . 26322 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 26322 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Tid1-eJD _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 1 HSQC 1 $sample_1 isotropic 26322 1 2 HNCACB 1 $sample_1 isotropic 26322 1 3 HN(CO)CACB 1 $sample_1 isotropic 26322 1 4 HNCO 1 $sample_1 isotropic 26322 1 5 HN(CA)CO 1 $sample_1 isotropic 26322 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 1 $software_1 . . 26322 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 MET C C 13 173.0449 0.0000 . 1 . . . . . 2 MET C . 26322 1 2 . 1 . 1 2 2 MET CB C 13 30.3290 0.0000 . 1 . . . . . 2 MET CB . 26322 1 3 . 1 . 1 3 3 LEU H H 1 8.4662 0.0000 . 1 . . . . . 3 LEU H . 26322 1 4 . 1 . 1 3 3 LEU C C 13 174.1595 0.0000 . 1 . . . . . 3 LEU C . 26322 1 5 . 1 . 1 3 3 LEU CA C 13 52.2600 0.0000 . 1 . . . . . 3 LEU CA . 26322 1 6 . 1 . 1 3 3 LEU CB C 13 39.5980 0.0000 . 1 . . . . . 3 LEU CB . 26322 1 7 . 1 . 1 3 3 LEU N N 15 124.0580 0.0000 . 1 . . . . . 3 LEU N . 26322 1 8 . 1 . 1 4 4 ALA H H 1 8.2488 0.0000 . 1 . . . . . 4 ALA H . 26322 1 9 . 1 . 1 4 4 ALA C C 13 174.6982 0.0000 . 1 . . . . . 4 ALA C . 26322 1 10 . 1 . 1 4 4 ALA CA C 13 49.5921 0.0000 . 1 . . . . . 4 ALA CA . 26322 1 11 . 1 . 1 4 4 ALA CB C 13 16.5530 0.0000 . 1 . . . . . 4 ALA CB . 26322 1 12 . 1 . 1 4 4 ALA N N 15 124.9892 0.0000 . 1 . . . . . 4 ALA N . 26322 1 13 . 1 . 1 5 5 LYS H H 1 8.1594 0.0000 . 1 . . . . . 5 LYS H . 26322 1 14 . 1 . 1 5 5 LYS C C 13 173.5735 0.0000 . 1 . . . . . 5 LYS C . 26322 1 15 . 1 . 1 5 5 LYS CA C 13 53.5400 0.0000 . 1 . . . . . 5 LYS CA . 26322 1 16 . 1 . 1 5 5 LYS CB C 13 30.3195 0.0000 . 1 . . . . . 5 LYS CB . 26322 1 17 . 1 . 1 5 5 LYS N N 15 120.4167 0.0000 . 1 . . . . . 5 LYS N . 26322 1 18 . 1 . 1 6 6 GLU H H 1 8.1108 0.0000 . 1 . . . . . 6 GLU H . 26322 1 19 . 1 . 1 6 6 GLU C C 13 172.7888 0.0000 . 1 . . . . . 6 GLU C . 26322 1 20 . 1 . 1 6 6 GLU CA C 13 53.4575 0.0000 . 1 . . . . . 6 GLU CA . 26322 1 21 . 1 . 1 6 6 GLU CB C 13 28.4383 0.0000 . 1 . . . . . 6 GLU CB . 26322 1 22 . 1 . 1 6 6 GLU N N 15 121.5787 0.0000 . 1 . . . . . 6 GLU N . 26322 1 23 . 1 . 1 7 7 ASP H H 1 8.3669 0.0000 . 1 . . . . . 7 ASP H . 26322 1 24 . 1 . 1 7 7 ASP C C 13 174.0979 0.0000 . 1 . . . . . 7 ASP C . 26322 1 25 . 1 . 1 7 7 ASP CA C 13 50.2752 0.0000 . 1 . . . . . 7 ASP CA . 26322 1 26 . 1 . 1 7 7 ASP CB C 13 39.3356 0.0000 . 1 . . . . . 7 ASP CB . 26322 1 27 . 1 . 1 7 7 ASP N N 15 121.9833 0.0000 . 1 . . . . . 7 ASP N . 26322 1 28 . 1 . 1 8 8 TYR H H 1 7.6289 0.0000 . 1 . . . . . 8 TYR H . 26322 1 29 . 1 . 1 8 8 TYR C C 13 174.5881 0.0000 . 1 . . . . . 8 TYR C . 26322 1 30 . 1 . 1 8 8 TYR CA C 13 55.5536 0.0000 . 1 . . . . . 8 TYR CA . 26322 1 31 . 1 . 1 8 8 TYR CB C 13 35.2225 0.0000 . 1 . . . . . 8 TYR CB . 26322 1 32 . 1 . 1 8 8 TYR N N 15 119.8683 0.0000 . 1 . . . . . 8 TYR N . 26322 1 33 . 1 . 1 9 9 TYR H H 1 7.7600 0.0000 . 1 . . . . . 9 TYR H . 26322 1 34 . 1 . 1 9 9 TYR C C 13 175.7569 0.0000 . 1 . . . . . 9 TYR C . 26322 1 35 . 1 . 1 9 9 TYR CA C 13 59.5547 0.0000 . 1 . . . . . 9 TYR CA . 26322 1 36 . 1 . 1 9 9 TYR CB C 13 33.0695 0.0000 . 1 . . . . . 9 TYR CB . 26322 1 37 . 1 . 1 9 9 TYR N N 15 116.1290 0.0000 . 1 . . . . . 9 TYR N . 26322 1 38 . 1 . 1 10 10 GLN H H 1 9.0824 0.0000 . 1 . . . . . 10 GLN H . 26322 1 39 . 1 . 1 10 10 GLN C C 13 177.3579 0.0000 . 1 . . . . . 10 GLN C . 26322 1 40 . 1 . 1 10 10 GLN CA C 13 55.8991 0.0000 . 1 . . . . . 10 GLN CA . 26322 1 41 . 1 . 1 10 10 GLN CB C 13 25.9189 0.0000 . 1 . . . . . 10 GLN CB . 26322 1 42 . 1 . 1 10 10 GLN N N 15 124.4221 0.0000 . 1 . . . . . 10 GLN N . 26322 1 43 . 1 . 1 11 11 ILE H H 1 8.2237 0.0000 . 1 . . . . . 11 ILE H . 26322 1 44 . 1 . 1 11 11 ILE C C 13 174.6120 0.0000 . 1 . . . . . 11 ILE C . 26322 1 45 . 1 . 1 11 11 ILE CA C 13 61.9143 0.0000 . 1 . . . . . 11 ILE CA . 26322 1 46 . 1 . 1 11 11 ILE CB C 13 35.0690 0.0000 . 1 . . . . . 11 ILE CB . 26322 1 47 . 1 . 1 11 11 ILE N N 15 120.7927 0.0000 . 1 . . . . . 11 ILE N . 26322 1 48 . 1 . 1 12 12 LEU H H 1 6.9991 0.0000 . 1 . . . . . 12 LEU H . 26322 1 49 . 1 . 1 12 12 LEU C C 13 172.8095 0.0000 . 1 . . . . . 12 LEU C . 26322 1 50 . 1 . 1 12 12 LEU CA C 13 52.3789 0.0000 . 1 . . . . . 12 LEU CA . 26322 1 51 . 1 . 1 12 12 LEU CB C 13 40.4608 0.0000 . 1 . . . . . 12 LEU CB . 26322 1 52 . 1 . 1 12 12 LEU N N 15 115.8088 0.0000 . 1 . . . . . 12 LEU N . 26322 1 53 . 1 . 1 13 13 GLY H H 1 7.8660 0.0000 . 1 . . . . . 13 GLY H . 26322 1 54 . 1 . 1 13 13 GLY C C 13 172.6519 0.0000 . 1 . . . . . 13 GLY C . 26322 1 55 . 1 . 1 13 13 GLY CA C 13 43.8766 0.0000 . 1 . . . . . 13 GLY CA . 26322 1 56 . 1 . 1 13 13 GLY N N 15 108.5005 0.0000 . 1 . . . . . 13 GLY N . 26322 1 57 . 1 . 1 14 14 VAL H H 1 7.8610 0.0000 . 1 . . . . . 14 VAL H . 26322 1 58 . 1 . 1 14 14 VAL CA C 13 54.1019 0.0000 . 1 . . . . . 14 VAL CA . 26322 1 59 . 1 . 1 14 14 VAL CB C 13 30.0064 0.0000 . 1 . . . . . 14 VAL CB . 26322 1 60 . 1 . 1 14 14 VAL N N 15 110.8050 0.0000 . 1 . . . . . 14 VAL N . 26322 1 61 . 1 . 1 15 15 PRO C C 13 174.1948 0.0000 . 1 . . . . . 15 PRO C . 26322 1 62 . 1 . 1 16 16 ARG H H 1 8.0640 0.0000 . 1 . . . . . 16 ARG H . 26322 1 63 . 1 . 1 16 16 ARG C C 13 173.7671 0.0000 . 1 . . . . . 16 ARG C . 26322 1 64 . 1 . 1 16 16 ARG CA C 13 56.9770 0.0000 . 1 . . . . . 16 ARG CA . 26322 1 65 . 1 . 1 16 16 ARG CB C 13 28.2848 0.0000 . 1 . . . . . 16 ARG CB . 26322 1 66 . 1 . 1 16 16 ARG N N 15 117.0042 0.0000 . 1 . . . . . 16 ARG N . 26322 1 67 . 1 . 1 17 17 ASN H H 1 7.5011 0.0000 . 1 . . . . . 17 ASN H . 26322 1 68 . 1 . 1 17 17 ASN C C 13 173.0321 0.0000 . 1 . . . . . 17 ASN C . 26322 1 69 . 1 . 1 17 17 ASN CA C 13 48.4239 0.0000 . 1 . . . . . 17 ASN CA . 26322 1 70 . 1 . 1 17 17 ASN CB C 13 34.2834 0.0000 . 1 . . . . . 17 ASN CB . 26322 1 71 . 1 . 1 17 17 ASN N N 15 112.8269 0.0000 . 1 . . . . . 17 ASN N . 26322 1 72 . 1 . 1 18 18 ALA H H 1 7.4555 0.0000 . 1 . . . . . 18 ALA H . 26322 1 73 . 1 . 1 18 18 ALA C C 13 175.0346 0.0000 . 1 . . . . . 18 ALA C . 26322 1 74 . 1 . 1 18 18 ALA CA C 13 50.0289 0.0000 . 1 . . . . . 18 ALA CA . 26322 1 75 . 1 . 1 18 18 ALA CB C 13 17.0750 0.0000 . 1 . . . . . 18 ALA CB . 26322 1 76 . 1 . 1 18 18 ALA N N 15 121.4919 0.0000 . 1 . . . . . 18 ALA N . 26322 1 77 . 1 . 1 19 19 SER H H 1 8.9403 0.0000 . 1 . . . . . 19 SER H . 26322 1 78 . 1 . 1 19 19 SER C C 13 172.5904 0.0000 . 1 . . . . . 19 SER C . 26322 1 79 . 1 . 1 19 19 SER CA C 13 54.0356 0.0000 . 1 . . . . . 19 SER CA . 26322 1 80 . 1 . 1 19 19 SER CB C 13 62.6938 0.0000 . 1 . . . . . 19 SER CB . 26322 1 81 . 1 . 1 19 19 SER N N 15 117.7736 0.0000 . 1 . . . . . 19 SER N . 26322 1 82 . 1 . 1 20 20 GLN H H 1 8.9634 0.0000 . 1 . . . . . 20 GLN H . 26322 1 83 . 1 . 1 20 20 GLN CA C 13 56.2932 0.0000 . 1 . . . . . 20 GLN CA . 26322 1 84 . 1 . 1 20 20 GLN N N 15 119.6397 0.0000 . 1 . . . . . 20 GLN N . 26322 1 85 . 1 . 1 21 21 LYS C C 13 176.6090 0.0000 . 1 . . . . . 21 LYS C . 26322 1 86 . 1 . 1 21 21 LYS CB C 13 29.7419 0.0000 . 1 . . . . . 21 LYS CB . 26322 1 87 . 1 . 1 22 22 GLU H H 1 7.6781 0.0000 . 1 . . . . . 22 GLU H . 26322 1 88 . 1 . 1 22 22 GLU C C 13 177.0526 0.0000 . 1 . . . . . 22 GLU C . 26322 1 89 . 1 . 1 22 22 GLU CA C 13 56.5031 0.0000 . 1 . . . . . 22 GLU CA . 26322 1 90 . 1 . 1 22 22 GLU CB C 13 27.2375 0.0000 . 1 . . . . . 22 GLU CB . 26322 1 91 . 1 . 1 22 22 GLU N N 15 120.4463 0.0000 . 1 . . . . . 22 GLU N . 26322 1 92 . 1 . 1 23 23 ILE H H 1 8.2516 0.0000 . 1 . . . . . 23 ILE H . 26322 1 93 . 1 . 1 23 23 ILE C C 13 173.9553 0.0000 . 1 . . . . . 23 ILE C . 26322 1 94 . 1 . 1 23 23 ILE CA C 13 63.5697 0.0000 . 1 . . . . . 23 ILE CA . 26322 1 95 . 1 . 1 23 23 ILE CB C 13 35.6568 0.0000 . 1 . . . . . 23 ILE CB . 26322 1 96 . 1 . 1 23 23 ILE N N 15 122.2247 0.0000 . 1 . . . . . 23 ILE N . 26322 1 97 . 1 . 1 24 24 LYS H H 1 8.2645 0.0000 . 1 . . . . . 24 LYS H . 26322 1 98 . 1 . 1 24 24 LYS C C 13 175.1291 0.0000 . 1 . . . . . 24 LYS C . 26322 1 99 . 1 . 1 24 24 LYS CA C 13 58.1257 0.0000 . 1 . . . . . 24 LYS CA . 26322 1 100 . 1 . 1 24 24 LYS CB C 13 30.1117 0.0000 . 1 . . . . . 24 LYS CB . 26322 1 101 . 1 . 1 24 24 LYS N N 15 120.0715 0.0000 . 1 . . . . . 24 LYS N . 26322 1 102 . 1 . 1 25 25 LYS H H 1 7.8269 0.0000 . 1 . . . . . 25 LYS H . 26322 1 103 . 1 . 1 25 25 LYS C C 13 175.8387 0.0000 . 1 . . . . . 25 LYS C . 26322 1 104 . 1 . 1 25 25 LYS CA C 13 56.6815 0.0000 . 1 . . . . . 25 LYS CA . 26322 1 105 . 1 . 1 25 25 LYS CB C 13 29.9103 0.0000 . 1 . . . . . 25 LYS CB . 26322 1 106 . 1 . 1 25 25 LYS N N 15 118.1656 0.0000 . 1 . . . . . 25 LYS N . 26322 1 107 . 1 . 1 26 26 ALA H H 1 7.9427 0.0000 . 1 . . . . . 26 ALA H . 26322 1 108 . 1 . 1 26 26 ALA C C 13 177.0506 0.0000 . 1 . . . . . 26 ALA C . 26322 1 109 . 1 . 1 26 26 ALA CA C 13 52.3311 0.0000 . 1 . . . . . 26 ALA CA . 26322 1 110 . 1 . 1 26 26 ALA CB C 13 16.4070 0.0000 . 1 . . . . . 26 ALA CB . 26322 1 111 . 1 . 1 26 26 ALA N N 15 121.8775 0.0000 . 1 . . . . . 26 ALA N . 26322 1 112 . 1 . 1 27 27 TYR H H 1 8.3922 0.0000 . 1 . . . . . 27 TYR H . 26322 1 113 . 1 . 1 27 27 TYR C C 13 173.2791 0.0000 . 1 . . . . . 27 TYR C . 26322 1 114 . 1 . 1 27 27 TYR CA C 13 57.6684 0.0000 . 1 . . . . . 27 TYR CA . 26322 1 115 . 1 . 1 27 27 TYR CB C 13 36.0955 0.0000 . 1 . . . . . 27 TYR CB . 26322 1 116 . 1 . 1 27 27 TYR N N 15 116.7295 0.0000 . 1 . . . . . 27 TYR N . 26322 1 117 . 1 . 1 28 28 TYR H H 1 8.4001 0.0000 . 1 . . . . . 28 TYR H . 26322 1 118 . 1 . 1 28 28 TYR C C 13 174.0135 0.0000 . 1 . . . . . 28 TYR C . 26322 1 119 . 1 . 1 28 28 TYR CA C 13 59.1861 0.0000 . 1 . . . . . 28 TYR CA . 26322 1 120 . 1 . 1 28 28 TYR CB C 13 35.0304 0.0000 . 1 . . . . . 28 TYR CB . 26322 1 121 . 1 . 1 28 28 TYR N N 15 117.3594 0.0000 . 1 . . . . . 28 TYR N . 26322 1 122 . 1 . 1 29 29 GLN H H 1 7.8233 0.0000 . 1 . . . . . 29 GLN H . 26322 1 123 . 1 . 1 29 29 GLN C C 13 176.9840 0.0000 . 1 . . . . . 29 GLN C . 26322 1 124 . 1 . 1 29 29 GLN CA C 13 56.1020 0.0000 . 1 . . . . . 29 GLN CA . 26322 1 125 . 1 . 1 29 29 GLN CB C 13 25.9301 0.0000 . 1 . . . . . 29 GLN CB . 26322 1 126 . 1 . 1 29 29 GLN N N 15 113.4791 0.0000 . 1 . . . . . 29 GLN N . 26322 1 127 . 1 . 1 30 30 LEU H H 1 8.0936 0.0000 . 1 . . . . . 30 LEU H . 26322 1 128 . 1 . 1 30 30 LEU CA C 13 54.6993 0.0000 . 1 . . . . . 30 LEU CA . 26322 1 129 . 1 . 1 30 30 LEU CB C 13 40.6096 0.0000 . 1 . . . . . 30 LEU CB . 26322 1 130 . 1 . 1 30 30 LEU N N 15 119.0983 0.0000 . 1 . . . . . 30 LEU N . 26322 1 131 . 1 . 1 31 31 ALA H H 1 9.1693 0.0000 . 1 . . . . . 31 ALA H . 26322 1 132 . 1 . 1 31 31 ALA C C 13 177.2859 0.0000 . 1 . . . . . 31 ALA C . 26322 1 133 . 1 . 1 31 31 ALA CA C 13 52.8317 0.0000 . 1 . . . . . 31 ALA CA . 26322 1 134 . 1 . 1 31 31 ALA CB C 13 15.5629 0.0000 . 1 . . . . . 31 ALA CB . 26322 1 135 . 1 . 1 31 31 ALA N N 15 122.0149 0.0000 . 1 . . . . . 31 ALA N . 26322 1 136 . 1 . 1 32 32 LYS H H 1 7.7904 0.0000 . 1 . . . . . 32 LYS H . 26322 1 137 . 1 . 1 32 32 LYS C C 13 176.4725 0.0000 . 1 . . . . . 32 LYS C . 26322 1 138 . 1 . 1 32 32 LYS CA C 13 56.3346 0.0000 . 1 . . . . . 32 LYS CA . 26322 1 139 . 1 . 1 32 32 LYS CB C 13 28.7640 0.0000 . 1 . . . . . 32 LYS CB . 26322 1 140 . 1 . 1 32 32 LYS N N 15 114.6349 0.0000 . 1 . . . . . 32 LYS N . 26322 1 141 . 1 . 1 33 33 LYS H H 1 7.0240 0.0000 . 1 . . . . . 33 LYS H . 26322 1 142 . 1 . 1 33 33 LYS C C 13 175.1756 0.0000 . 1 . . . . . 33 LYS C . 26322 1 143 . 1 . 1 33 33 LYS CA C 13 56.2687 0.0000 . 1 . . . . . 33 LYS CA . 26322 1 144 . 1 . 1 33 33 LYS CB C 13 29.3644 0.0000 . 1 . . . . . 33 LYS CB . 26322 1 145 . 1 . 1 33 33 LYS N N 15 118.7129 0.0000 . 1 . . . . . 33 LYS N . 26322 1 146 . 1 . 1 34 34 TYR H H 1 7.3183 0.0000 . 1 . . . . . 34 TYR H . 26322 1 147 . 1 . 1 34 34 TYR C C 13 170.1213 0.0000 . 1 . . . . . 34 TYR C . 26322 1 148 . 1 . 1 34 34 TYR CA C 13 55.1527 0.0000 . 1 . . . . . 34 TYR CA . 26322 1 149 . 1 . 1 34 34 TYR CB C 13 35.7688 0.0000 . 1 . . . . . 34 TYR CB . 26322 1 150 . 1 . 1 34 34 TYR N N 15 115.2160 0.0000 . 1 . . . . . 34 TYR N . 26322 1 151 . 1 . 1 35 35 HIS H H 1 6.7588 0.0000 . 1 . . . . . 35 HIS H . 26322 1 152 . 1 . 1 35 35 HIS CA C 13 53.5470 0.0000 . 1 . . . . . 35 HIS CA . 26322 1 153 . 1 . 1 35 35 HIS CB C 13 28.6867 0.0000 . 1 . . . . . 35 HIS CB . 26322 1 154 . 1 . 1 35 35 HIS N N 15 121.6586 0.0000 . 1 . . . . . 35 HIS N . 26322 1 155 . 1 . 1 36 36 PRO C C 13 175.9471 0.0000 . 1 . . . . . 36 PRO C . 26322 1 156 . 1 . 1 37 37 ASP C C 13 175.7009 0.0000 . 1 . . . . . 37 ASP C . 26322 1 157 . 1 . 1 37 37 ASP CA C 13 54.6228 0.0000 . 1 . . . . . 37 ASP CA . 26322 1 158 . 1 . 1 37 37 ASP CB C 13 37.6073 0.0000 . 1 . . . . . 37 ASP CB . 26322 1 159 . 1 . 1 37 37 ASP N N 15 121.9460 0.0000 . 1 . . . . . 37 ASP N . 26322 1 160 . 1 . 1 38 38 THR H H 1 7.3681 0.0000 . 1 . . . . . 38 THR H . 26322 1 161 . 1 . 1 38 38 THR C C 13 171.5116 0.0000 . 1 . . . . . 38 THR C . 26322 1 162 . 1 . 1 38 38 THR CA C 13 58.2453 0.0000 . 1 . . . . . 38 THR CA . 26322 1 163 . 1 . 1 38 38 THR CB C 13 65.9365 0.0000 . 1 . . . . . 38 THR CB . 26322 1 164 . 1 . 1 38 38 THR N N 15 106.8647 0.0000 . 1 . . . . . 38 THR N . 26322 1 165 . 1 . 1 39 39 ASN H H 1 7.5262 0.0000 . 1 . . . . . 39 ASN H . 26322 1 166 . 1 . 1 39 39 ASN C C 13 171.8682 0.0000 . 1 . . . . . 39 ASN C . 26322 1 167 . 1 . 1 39 39 ASN CA C 13 50.3484 0.0000 . 1 . . . . . 39 ASN CA . 26322 1 168 . 1 . 1 39 39 ASN CB C 13 37.3164 0.0000 . 1 . . . . . 39 ASN CB . 26322 1 169 . 1 . 1 39 39 ASN N N 15 121.6851 0.0000 . 1 . . . . . 39 ASN N . 26322 1 170 . 1 . 1 40 40 LYS H H 1 8.3571 0.0000 . 1 . . . . . 40 LYS H . 26322 1 171 . 1 . 1 40 40 LYS C C 13 174.3276 0.0000 . 1 . . . . . 40 LYS C . 26322 1 172 . 1 . 1 40 40 LYS CA C 13 55.1369 0.0000 . 1 . . . . . 40 LYS CA . 26322 1 173 . 1 . 1 40 40 LYS CB C 13 29.2532 0.0000 . 1 . . . . . 40 LYS CB . 26322 1 174 . 1 . 1 40 40 LYS N N 15 121.6128 0.0000 . 1 . . . . . 40 LYS N . 26322 1 175 . 1 . 1 41 41 ASP H H 1 8.5799 0.0000 . 1 . . . . . 41 ASP H . 26322 1 176 . 1 . 1 41 41 ASP C C 13 172.2151 0.0000 . 1 . . . . . 41 ASP C . 26322 1 177 . 1 . 1 41 41 ASP CA C 13 52.1548 0.0000 . 1 . . . . . 41 ASP CA . 26322 1 178 . 1 . 1 41 41 ASP CB C 13 37.6955 0.0000 . 1 . . . . . 41 ASP CB . 26322 1 179 . 1 . 1 41 41 ASP N N 15 118.6572 0.0000 . 1 . . . . . 41 ASP N . 26322 1 180 . 1 . 1 42 42 ASP H H 1 7.4019 0.0000 . 1 . . . . . 42 ASP H . 26322 1 181 . 1 . 1 42 42 ASP CA C 13 48.3010 0.0000 . 1 . . . . . 42 ASP CA . 26322 1 182 . 1 . 1 42 42 ASP CB C 13 39.6234 0.0000 . 1 . . . . . 42 ASP CB . 26322 1 183 . 1 . 1 42 42 ASP N N 15 118.2161 0.0000 . 1 . . . . . 42 ASP N . 26322 1 184 . 1 . 1 43 43 PRO C C 13 176.5160 0.0000 . 1 . . . . . 43 PRO C . 26322 1 185 . 1 . 1 43 43 PRO CA C 13 61.8286 0.0000 . 1 . . . . . 43 PRO CA . 26322 1 186 . 1 . 1 44 44 LYS H H 1 8.0661 0.0000 . 1 . . . . . 44 LYS H . 26322 1 187 . 1 . 1 44 44 LYS C C 13 176.2174 0.0000 . 1 . . . . . 44 LYS C . 26322 1 188 . 1 . 1 44 44 LYS CA C 13 55.0615 0.0000 . 1 . . . . . 44 LYS CA . 26322 1 189 . 1 . 1 44 44 LYS CB C 13 28.5976 0.0000 . 1 . . . . . 44 LYS CB . 26322 1 190 . 1 . 1 44 44 LYS N N 15 119.3243 0.0000 . 1 . . . . . 44 LYS N . 26322 1 191 . 1 . 1 45 45 ALA H H 1 7.6183 0.0000 . 1 . . . . . 45 ALA H . 26322 1 192 . 1 . 1 45 45 ALA C C 13 175.7704 0.0000 . 1 . . . . . 45 ALA C . 26322 1 193 . 1 . 1 45 45 ALA CA C 13 52.5296 0.0000 . 1 . . . . . 45 ALA CA . 26322 1 194 . 1 . 1 45 45 ALA CB C 13 15.0409 0.0000 . 1 . . . . . 45 ALA CB . 26322 1 195 . 1 . 1 45 45 ALA N N 15 123.1747 0.0000 . 1 . . . . . 45 ALA N . 26322 1 196 . 1 . 1 46 46 LYS H H 1 7.5979 0.0000 . 1 . . . . . 46 LYS H . 26322 1 197 . 1 . 1 46 46 LYS C C 13 176.7544 0.0000 . 1 . . . . . 46 LYS C . 26322 1 198 . 1 . 1 46 46 LYS CA C 13 57.0179 0.0000 . 1 . . . . . 46 LYS CA . 26322 1 199 . 1 . 1 46 46 LYS CB C 13 29.4605 0.0000 . 1 . . . . . 46 LYS CB . 26322 1 200 . 1 . 1 46 46 LYS N N 15 117.1857 0.0000 . 1 . . . . . 46 LYS N . 26322 1 201 . 1 . 1 47 47 GLU H H 1 7.7126 0.0000 . 1 . . . . . 47 GLU H . 26322 1 202 . 1 . 1 47 47 GLU C C 13 176.3597 0.0000 . 1 . . . . . 47 GLU C . 26322 1 203 . 1 . 1 47 47 GLU CA C 13 56.5895 0.0000 . 1 . . . . . 47 GLU CA . 26322 1 204 . 1 . 1 47 47 GLU CB C 13 26.9369 0.0000 . 1 . . . . . 47 GLU CB . 26322 1 205 . 1 . 1 47 47 GLU N N 15 120.3948 0.0000 . 1 . . . . . 47 GLU N . 26322 1 206 . 1 . 1 48 48 LYS H H 1 7.7834 0.0000 . 1 . . . . . 48 LYS H . 26322 1 207 . 1 . 1 48 48 LYS C C 13 175.8695 0.0000 . 1 . . . . . 48 LYS C . 26322 1 208 . 1 . 1 48 48 LYS CA C 13 55.7194 0.0000 . 1 . . . . . 48 LYS CA . 26322 1 209 . 1 . 1 48 48 LYS CB C 13 28.5284 0.0000 . 1 . . . . . 48 LYS CB . 26322 1 210 . 1 . 1 48 48 LYS N N 15 120.0016 0.0000 . 1 . . . . . 48 LYS N . 26322 1 211 . 1 . 1 49 49 PHE H H 1 9.0504 0.0000 . 1 . . . . . 49 PHE H . 26322 1 212 . 1 . 1 49 49 PHE C C 13 176.0342 0.0000 . 1 . . . . . 49 PHE C . 26322 1 213 . 1 . 1 49 49 PHE CA C 13 60.1166 0.0000 . 1 . . . . . 49 PHE CA . 26322 1 214 . 1 . 1 49 49 PHE CB C 13 36.6167 0.0000 . 1 . . . . . 49 PHE CB . 26322 1 215 . 1 . 1 49 49 PHE N N 15 120.0501 0.0000 . 1 . . . . . 49 PHE N . 26322 1 216 . 1 . 1 50 50 SER H H 1 8.1038 0.0000 . 1 . . . . . 50 SER H . 26322 1 217 . 1 . 1 50 50 SER CA C 13 59.1135 0.0000 . 1 . . . . . 50 SER CA . 26322 1 218 . 1 . 1 50 50 SER CB C 13 59.9654 0.0000 . 1 . . . . . 50 SER CB . 26322 1 219 . 1 . 1 50 50 SER N N 15 114.9566 0.0000 . 1 . . . . . 50 SER N . 26322 1 220 . 1 . 1 51 51 GLN H H 1 8.1072 0.0000 . 1 . . . . . 51 GLN H . 26322 1 221 . 1 . 1 51 51 GLN C C 13 176.0752 0.0000 . 1 . . . . . 51 GLN C . 26322 1 222 . 1 . 1 51 51 GLN CA C 13 56.4061 0.0000 . 1 . . . . . 51 GLN CA . 26322 1 223 . 1 . 1 51 51 GLN CB C 13 26.1942 0.0000 . 1 . . . . . 51 GLN CB . 26322 1 224 . 1 . 1 51 51 GLN N N 15 122.9502 0.0000 . 1 . . . . . 51 GLN N . 26322 1 225 . 1 . 1 52 52 LEU H H 1 8.3328 0.0000 . 1 . . . . . 52 LEU H . 26322 1 226 . 1 . 1 52 52 LEU C C 13 174.6607 0.0000 . 1 . . . . . 52 LEU C . 26322 1 227 . 1 . 1 52 52 LEU CA C 13 55.1500 0.0000 . 1 . . . . . 52 LEU CA . 26322 1 228 . 1 . 1 52 52 LEU CB C 13 39.8989 0.0000 . 1 . . . . . 52 LEU CB . 26322 1 229 . 1 . 1 52 52 LEU N N 15 118.9334 0.0000 . 1 . . . . . 52 LEU N . 26322 1 230 . 1 . 1 53 53 ALA H H 1 7.0663 0.0000 . 1 . . . . . 53 ALA H . 26322 1 231 . 1 . 1 53 53 ALA CA C 13 52.0845 0.0000 . 1 . . . . . 53 ALA CA . 26322 1 232 . 1 . 1 53 53 ALA CB C 13 15.7752 0.0000 . 1 . . . . . 53 ALA CB . 26322 1 233 . 1 . 1 53 53 ALA N N 15 119.2209 0.0000 . 1 . . . . . 53 ALA N . 26322 1 234 . 1 . 1 54 54 GLU H H 1 7.5890 0.0000 . 1 . . . . . 54 GLU H . 26322 1 235 . 1 . 1 54 54 GLU C C 13 174.3893 0.0000 . 1 . . . . . 54 GLU C . 26322 1 236 . 1 . 1 54 54 GLU CA C 13 56.5012 0.0000 . 1 . . . . . 54 GLU CA . 26322 1 237 . 1 . 1 54 54 GLU CB C 13 26.7655 0.0000 . 1 . . . . . 54 GLU CB . 26322 1 238 . 1 . 1 54 54 GLU N N 15 118.1313 0.0000 . 1 . . . . . 54 GLU N . 26322 1 239 . 1 . 1 55 55 ALA H H 1 7.4669 0.0000 . 1 . . . . . 55 ALA H . 26322 1 240 . 1 . 1 55 55 ALA C C 13 175.7382 0.0000 . 1 . . . . . 55 ALA C . 26322 1 241 . 1 . 1 55 55 ALA CA C 13 51.1119 0.0000 . 1 . . . . . 55 ALA CA . 26322 1 242 . 1 . 1 55 55 ALA CB C 13 15.8370 0.0000 . 1 . . . . . 55 ALA CB . 26322 1 243 . 1 . 1 55 55 ALA N N 15 117.8942 0.0000 . 1 . . . . . 55 ALA N . 26322 1 244 . 1 . 1 56 56 TYR H H 1 8.1717 0.0000 . 1 . . . . . 56 TYR H . 26322 1 245 . 1 . 1 56 56 TYR C C 13 175.2009 0.0000 . 1 . . . . . 56 TYR C . 26322 1 246 . 1 . 1 56 56 TYR CA C 13 59.6764 0.0000 . 1 . . . . . 56 TYR CA . 26322 1 247 . 1 . 1 56 56 TYR CB C 13 35.4699 0.0000 . 1 . . . . . 56 TYR CB . 26322 1 248 . 1 . 1 56 56 TYR N N 15 116.6632 0.0000 . 1 . . . . . 56 TYR N . 26322 1 249 . 1 . 1 57 57 GLU H H 1 8.4624 0.0000 . 1 . . . . . 57 GLU H . 26322 1 250 . 1 . 1 57 57 GLU C C 13 174.7578 0.0000 . 1 . . . . . 57 GLU C . 26322 1 251 . 1 . 1 57 57 GLU CA C 13 57.3376 0.0000 . 1 . . . . . 57 GLU CA . 26322 1 252 . 1 . 1 57 57 GLU CB C 13 26.8781 0.0000 . 1 . . . . . 57 GLU CB . 26322 1 253 . 1 . 1 57 57 GLU N N 15 120.9802 0.0000 . 1 . . . . . 57 GLU N . 26322 1 254 . 1 . 1 58 58 VAL H H 1 6.6275 0.0000 . 1 . . . . . 58 VAL H . 26322 1 255 . 1 . 1 58 58 VAL C C 13 173.0398 0.0000 . 1 . . . . . 58 VAL C . 26322 1 256 . 1 . 1 58 58 VAL CA C 13 63.0469 0.0000 . 1 . . . . . 58 VAL CA . 26322 1 257 . 1 . 1 58 58 VAL CB C 13 28.8937 0.0000 . 1 . . . . . 58 VAL CB . 26322 1 258 . 1 . 1 58 58 VAL N N 15 115.0104 0.0000 . 1 . . . . . 58 VAL N . 26322 1 259 . 1 . 1 59 59 LEU H H 1 7.5060 0.0000 . 1 . . . . . 59 LEU H . 26322 1 260 . 1 . 1 59 59 LEU C C 13 174.7476 0.0000 . 1 . . . . . 59 LEU C . 26322 1 261 . 1 . 1 59 59 LEU CA C 13 53.8110 0.0000 . 1 . . . . . 59 LEU CA . 26322 1 262 . 1 . 1 59 59 LEU CB C 13 38.9594 0.0000 . 1 . . . . . 59 LEU CB . 26322 1 263 . 1 . 1 59 59 LEU N N 15 111.3412 0.0000 . 1 . . . . . 59 LEU N . 26322 1 264 . 1 . 1 60 60 SER H H 1 7.6443 0.0000 . 1 . . . . . 60 SER H . 26322 1 265 . 1 . 1 60 60 SER C C 13 170.5766 0.0000 . 1 . . . . . 60 SER C . 26322 1 266 . 1 . 1 60 60 SER CA C 13 56.2182 0.0000 . 1 . . . . . 60 SER CA . 26322 1 267 . 1 . 1 60 60 SER CB C 13 60.3932 0.0000 . 1 . . . . . 60 SER CB . 26322 1 268 . 1 . 1 60 60 SER N N 15 108.4330 0.0000 . 1 . . . . . 60 SER N . 26322 1 269 . 1 . 1 61 61 ASP H H 1 6.8480 0.0000 . 1 . . . . . 61 ASP H . 26322 1 270 . 1 . 1 61 61 ASP C C 13 172.3796 0.0000 . 1 . . . . . 61 ASP C . 26322 1 271 . 1 . 1 61 61 ASP CA C 13 49.4508 0.0000 . 1 . . . . . 61 ASP CA . 26322 1 272 . 1 . 1 61 61 ASP CB C 13 40.7334 0.0000 . 1 . . . . . 61 ASP CB . 26322 1 273 . 1 . 1 61 61 ASP N N 15 124.5046 0.0000 . 1 . . . . . 61 ASP N . 26322 1 274 . 1 . 1 62 62 GLU H H 1 8.8657 0.0000 . 1 . . . . . 62 GLU H . 26322 1 275 . 1 . 1 62 62 GLU C C 13 175.9315 0.0000 . 1 . . . . . 62 GLU C . 26322 1 276 . 1 . 1 62 62 GLU CA C 13 59.5868 0.0000 . 1 . . . . . 62 GLU CA . 26322 1 277 . 1 . 1 62 62 GLU CB C 13 27.0638 0.0000 . 1 . . . . . 62 GLU CB . 26322 1 278 . 1 . 1 62 62 GLU N N 15 124.5389 0.0000 . 1 . . . . . 62 GLU N . 26322 1 279 . 1 . 1 63 63 VAL H H 1 7.8308 0.0000 . 1 . . . . . 63 VAL H . 26322 1 280 . 1 . 1 63 63 VAL C C 13 176.3759 0.0000 . 1 . . . . . 63 VAL C . 26322 1 281 . 1 . 1 63 63 VAL CA C 13 63.5088 0.0000 . 1 . . . . . 63 VAL CA . 26322 1 282 . 1 . 1 63 63 VAL CB C 13 28.9227 0.0000 . 1 . . . . . 63 VAL CB . 26322 1 283 . 1 . 1 63 63 VAL N N 15 119.1018 0.0000 . 1 . . . . . 63 VAL N . 26322 1 284 . 1 . 1 64 64 LYS H H 1 8.0645 0.0000 . 1 . . . . . 64 LYS H . 26322 1 285 . 1 . 1 64 64 LYS C C 13 176.4993 0.0000 . 1 . . . . . 64 LYS C . 26322 1 286 . 1 . 1 64 64 LYS CA C 13 57.4506 0.0000 . 1 . . . . . 64 LYS CA . 26322 1 287 . 1 . 1 64 64 LYS CB C 13 30.1816 0.0000 . 1 . . . . . 64 LYS CB . 26322 1 288 . 1 . 1 64 64 LYS N N 15 121.6749 0.0000 . 1 . . . . . 64 LYS N . 26322 1 289 . 1 . 1 65 65 ARG H H 1 9.3870 0.0000 . 1 . . . . . 65 ARG H . 26322 1 290 . 1 . 1 65 65 ARG C C 13 174.9964 0.0000 . 1 . . . . . 65 ARG C . 26322 1 291 . 1 . 1 65 65 ARG CA C 13 57.8922 0.0000 . 1 . . . . . 65 ARG CA . 26322 1 292 . 1 . 1 65 65 ARG CB C 13 27.1219 0.0000 . 1 . . . . . 65 ARG CB . 26322 1 293 . 1 . 1 65 65 ARG N N 15 121.6035 0.0000 . 1 . . . . . 65 ARG N . 26322 1 294 . 1 . 1 66 66 LYS H H 1 7.4370 0.0000 . 1 . . . . . 66 LYS H . 26322 1 295 . 1 . 1 66 66 LYS C C 13 177.4413 0.0000 . 1 . . . . . 66 LYS C . 26322 1 296 . 1 . 1 66 66 LYS CA C 13 56.7852 0.0000 . 1 . . . . . 66 LYS CA . 26322 1 297 . 1 . 1 66 66 LYS CB C 13 29.5658 0.0000 . 1 . . . . . 66 LYS CB . 26322 1 298 . 1 . 1 66 66 LYS N N 15 117.2459 0.0000 . 1 . . . . . 66 LYS N . 26322 1 299 . 1 . 1 67 67 GLN H H 1 7.5755 0.0000 . 1 . . . . . 67 GLN H . 26322 1 300 . 1 . 1 67 67 GLN C C 13 175.2918 0.0000 . 1 . . . . . 67 GLN C . 26322 1 301 . 1 . 1 67 67 GLN CA C 13 56.2948 0.0000 . 1 . . . . . 67 GLN CA . 26322 1 302 . 1 . 1 67 67 GLN CB C 13 25.8456 0.0000 . 1 . . . . . 67 GLN CB . 26322 1 303 . 1 . 1 67 67 GLN N N 15 118.8483 0.0000 . 1 . . . . . 67 GLN N . 26322 1 304 . 1 . 1 68 68 TYR H H 1 8.8071 0.0000 . 1 . . . . . 68 TYR H . 26322 1 305 . 1 . 1 68 68 TYR C C 13 176.1007 0.0000 . 1 . . . . . 68 TYR C . 26322 1 306 . 1 . 1 68 68 TYR CA C 13 57.5280 0.0000 . 1 . . . . . 68 TYR CA . 26322 1 307 . 1 . 1 68 68 TYR CB C 13 36.3886 0.0000 . 1 . . . . . 68 TYR CB . 26322 1 308 . 1 . 1 68 68 TYR N N 15 122.6899 0.0000 . 1 . . . . . 68 TYR N . 26322 1 309 . 1 . 1 69 69 ASP H H 1 9.1383 0.0000 . 1 . . . . . 69 ASP H . 26322 1 310 . 1 . 1 69 69 ASP C C 13 175.4614 0.0000 . 1 . . . . . 69 ASP C . 26322 1 311 . 1 . 1 69 69 ASP CA C 13 55.6166 0.0000 . 1 . . . . . 69 ASP CA . 26322 1 312 . 1 . 1 69 69 ASP CB C 13 37.3267 0.0000 . 1 . . . . . 69 ASP CB . 26322 1 313 . 1 . 1 69 69 ASP N N 15 120.9879 0.0000 . 1 . . . . . 69 ASP N . 26322 1 314 . 1 . 1 70 70 ALA H H 1 7.4216 0.0000 . 1 . . . . . 70 ALA H . 26322 1 315 . 1 . 1 70 70 ALA C C 13 176.4812 0.0000 . 1 . . . . . 70 ALA C . 26322 1 316 . 1 . 1 70 70 ALA CA C 13 51.0853 0.0000 . 1 . . . . . 70 ALA CA . 26322 1 317 . 1 . 1 70 70 ALA CB C 13 16.0113 0.0000 . 1 . . . . . 70 ALA CB . 26322 1 318 . 1 . 1 70 70 ALA N N 15 120.4703 0.0000 . 1 . . . . . 70 ALA N . 26322 1 319 . 1 . 1 71 71 TYR H H 1 7.8788 0.0000 . 1 . . . . . 71 TYR H . 26322 1 320 . 1 . 1 71 71 TYR C C 13 174.5314 0.0000 . 1 . . . . . 71 TYR C . 26322 1 321 . 1 . 1 71 71 TYR CA C 13 56.1596 0.0000 . 1 . . . . . 71 TYR CA . 26322 1 322 . 1 . 1 71 71 TYR CB C 13 36.3367 0.0000 . 1 . . . . . 71 TYR CB . 26322 1 323 . 1 . 1 71 71 TYR N N 15 116.8310 0.0000 . 1 . . . . . 71 TYR N . 26322 1 324 . 1 . 1 72 72 GLY H H 1 8.1158 0.0000 . 1 . . . . . 72 GLY H . 26322 1 325 . 1 . 1 72 72 GLY C C 13 171.7410 0.0000 . 1 . . . . . 72 GLY C . 26322 1 326 . 1 . 1 72 72 GLY CA C 13 42.8858 0.0000 . 1 . . . . . 72 GLY CA . 26322 1 327 . 1 . 1 72 72 GLY N N 15 109.4587 0.0000 . 1 . . . . . 72 GLY N . 26322 1 328 . 1 . 1 73 73 SER H H 1 7.9590 0.0000 . 1 . . . . . 73 SER H . 26322 1 329 . 1 . 1 73 73 SER C C 13 171.9900 0.0000 . 1 . . . . . 73 SER C . 26322 1 330 . 1 . 1 73 73 SER CA C 13 56.1366 0.0000 . 1 . . . . . 73 SER CA . 26322 1 331 . 1 . 1 73 73 SER CB C 13 60.9800 0.0000 . 1 . . . . . 73 SER CB . 26322 1 332 . 1 . 1 73 73 SER N N 15 115.3137 0.0000 . 1 . . . . . 73 SER N . 26322 1 333 . 1 . 1 74 74 ALA H H 1 8.1725 0.0000 . 1 . . . . . 74 ALA H . 26322 1 334 . 1 . 1 74 74 ALA CA C 13 50.2663 0.0000 . 1 . . . . . 74 ALA CA . 26322 1 335 . 1 . 1 74 74 ALA CB C 13 16.4225 0.0000 . 1 . . . . . 74 ALA CB . 26322 1 336 . 1 . 1 74 74 ALA N N 15 124.6503 0.0000 . 1 . . . . . 74 ALA N . 26322 1 337 . 1 . 1 75 75 GLY H H 1 8.0099 0.0000 . 1 . . . . . 75 GLY H . 26322 1 338 . 1 . 1 75 75 GLY C C 13 170.7622 0.0000 . 1 . . . . . 75 GLY C . 26322 1 339 . 1 . 1 75 75 GLY CA C 13 42.4837 0.0000 . 1 . . . . . 75 GLY CA . 26322 1 340 . 1 . 1 75 75 GLY N N 15 106.5628 0.0000 . 1 . . . . . 75 GLY N . 26322 1 341 . 1 . 1 76 76 PHE H H 1 7.7589 0.0000 . 1 . . . . . 76 PHE H . 26322 1 342 . 1 . 1 76 76 PHE C C 13 171.8142 0.0000 . 1 . . . . . 76 PHE C . 26322 1 343 . 1 . 1 76 76 PHE CA C 13 54.7407 0.0000 . 1 . . . . . 76 PHE CA . 26322 1 344 . 1 . 1 76 76 PHE CB C 13 36.9944 0.0000 . 1 . . . . . 76 PHE CB . 26322 1 345 . 1 . 1 76 76 PHE N N 15 119.4012 0.0000 . 1 . . . . . 76 PHE N . 26322 1 346 . 1 . 1 77 77 ASP H H 1 8.0464 0.0000 . 1 . . . . . 77 ASP H . 26322 1 347 . 1 . 1 77 77 ASP CA C 13 48.4032 0.0000 . 1 . . . . . 77 ASP CA . 26322 1 348 . 1 . 1 77 77 ASP CB C 13 38.9200 0.0000 . 1 . . . . . 77 ASP CB . 26322 1 349 . 1 . 1 77 77 ASP N N 15 123.7900 0.0000 . 1 . . . . . 77 ASP N . 26322 1 350 . 1 . 1 78 78 PRO C C 13 174.9338 0.0000 . 1 . . . . . 78 PRO C . 26322 1 351 . 1 . 1 78 78 PRO CA C 13 61.0050 0.0000 . 1 . . . . . 78 PRO CA . 26322 1 352 . 1 . 1 78 78 PRO CB C 13 29.2000 0.0000 . 1 . . . . . 78 PRO CB . 26322 1 353 . 1 . 1 79 79 GLY H H 1 8.3538 0.0000 . 1 . . . . . 79 GLY H . 26322 1 354 . 1 . 1 79 79 GLY C C 13 171.6863 0.0000 . 1 . . . . . 79 GLY C . 26322 1 355 . 1 . 1 79 79 GLY CA C 13 42.5361 0.0000 . 1 . . . . . 79 GLY CA . 26322 1 356 . 1 . 1 79 79 GLY N N 15 107.8081 0.0000 . 1 . . . . . 79 GLY N . 26322 1 357 . 1 . 1 80 80 ALA H H 1 7.7683 0.0000 . 1 . . . . . 80 ALA H . 26322 1 358 . 1 . 1 80 80 ALA C C 13 175.3616 0.0000 . 1 . . . . . 80 ALA C . 26322 1 359 . 1 . 1 80 80 ALA CA C 13 49.7391 0.0000 . 1 . . . . . 80 ALA CA . 26322 1 360 . 1 . 1 80 80 ALA CB C 13 16.4847 0.0000 . 1 . . . . . 80 ALA CB . 26322 1 361 . 1 . 1 80 80 ALA N N 15 123.7000 0.0000 . 1 . . . . . 80 ALA N . 26322 1 362 . 1 . 1 81 81 SER H H 1 8.1734 0.0000 . 1 . . . . . 81 SER H . 26322 1 363 . 1 . 1 81 81 SER CA C 13 59.1156 0.0000 . 1 . . . . . 81 SER CA . 26322 1 364 . 1 . 1 81 81 SER CB C 13 60.0236 0.0000 . 1 . . . . . 81 SER CB . 26322 1 365 . 1 . 1 81 81 SER N N 15 114.6020 0.0000 . 1 . . . . . 81 SER N . 26322 1 366 . 1 . 1 86 86 SER C C 13 171.4166 0.0000 . 1 . . . . . 86 SER C . 26322 1 367 . 1 . 1 86 86 SER CB C 13 60.8879 0.0000 . 1 . . . . . 86 SER CB . 26322 1 368 . 1 . 1 87 87 TYR H H 1 8.0495 0.0000 . 1 . . . . . 87 TYR H . 26322 1 369 . 1 . 1 87 87 TYR C C 13 172.5823 0.0000 . 1 . . . . . 87 TYR C . 26322 1 370 . 1 . 1 87 87 TYR CA C 13 55.2766 0.0000 . 1 . . . . . 87 TYR CA . 26322 1 371 . 1 . 1 87 87 TYR CB C 13 35.9907 0.0000 . 1 . . . . . 87 TYR CB . 26322 1 372 . 1 . 1 87 87 TYR N N 15 121.7156 0.0000 . 1 . . . . . 87 TYR N . 26322 1 373 . 1 . 1 88 88 TRP H H 1 7.8246 0.0000 . 1 . . . . . 88 TRP H . 26322 1 374 . 1 . 1 88 88 TRP C C 13 172.9413 0.0000 . 1 . . . . . 88 TRP C . 26322 1 375 . 1 . 1 88 88 TRP CA C 13 54.6220 0.0000 . 1 . . . . . 88 TRP CA . 26322 1 376 . 1 . 1 88 88 TRP CB C 13 26.7572 0.0000 . 1 . . . . . 88 TRP CB . 26322 1 377 . 1 . 1 88 88 TRP N N 15 121.3034 0.0000 . 1 . . . . . 88 TRP N . 26322 1 378 . 1 . 1 89 89 LYS H H 1 7.8765 0.0000 . 1 . . . . . 89 LYS H . 26322 1 379 . 1 . 1 89 89 LYS C C 13 173.6933 0.0000 . 1 . . . . . 89 LYS C . 26322 1 380 . 1 . 1 89 89 LYS CA C 13 53.5757 0.0000 . 1 . . . . . 89 LYS CA . 26322 1 381 . 1 . 1 89 89 LYS CB C 13 30.0410 0.0000 . 1 . . . . . 89 LYS CB . 26322 1 382 . 1 . 1 89 89 LYS N N 15 124.0752 0.0000 . 1 . . . . . 89 LYS N . 26322 1 383 . 1 . 1 90 90 GLY H H 1 7.3599 0.0000 . 1 . . . . . 90 GLY H . 26322 1 384 . 1 . 1 90 90 GLY C C 13 171.1029 0.0000 . 1 . . . . . 90 GLY C . 26322 1 385 . 1 . 1 90 90 GLY CA C 13 42.3416 0.0000 . 1 . . . . . 90 GLY CA . 26322 1 386 . 1 . 1 90 90 GLY N N 15 108.6322 0.0000 . 1 . . . . . 90 GLY N . 26322 1 387 . 1 . 1 91 91 GLY H H 1 7.8960 0.0000 . 1 . . . . . 91 GLY H . 26322 1 388 . 1 . 1 91 91 GLY CA C 13 41.6447 0.0000 . 1 . . . . . 91 GLY CA . 26322 1 389 . 1 . 1 91 91 GLY N N 15 108.8818 0.0000 . 1 . . . . . 91 GLY N . 26322 1 390 . 1 . 1 92 92 PRO C C 13 174.6996 0.0000 . 1 . . . . . 92 PRO C . 26322 1 391 . 1 . 1 93 93 THR H H 1 9.5578 0.0000 . 1 . . . . . 93 THR H . 26322 1 392 . 1 . 1 93 93 THR C C 13 171.8672 0.0000 . 1 . . . . . 93 THR C . 26322 1 393 . 1 . 1 93 93 THR CA C 13 60.0675 0.0000 . 1 . . . . . 93 THR CA . 26322 1 394 . 1 . 1 93 93 THR CB C 13 65.0790 0.0000 . 1 . . . . . 93 THR CB . 26322 1 395 . 1 . 1 93 93 THR N N 15 116.3188 0.0000 . 1 . . . . . 93 THR N . 26322 1 396 . 1 . 1 94 94 VAL H H 1 7.9618 0.0000 . 1 . . . . . 94 VAL H . 26322 1 397 . 1 . 1 94 94 VAL C C 13 171.7608 0.0000 . 1 . . . . . 94 VAL C . 26322 1 398 . 1 . 1 94 94 VAL CA C 13 57.6986 0.0000 . 1 . . . . . 94 VAL CA . 26322 1 399 . 1 . 1 94 94 VAL CB C 13 31.0994 0.0000 . 1 . . . . . 94 VAL CB . 26322 1 400 . 1 . 1 94 94 VAL N N 15 121.9189 0.0000 . 1 . . . . . 94 VAL N . 26322 1 401 . 1 . 1 95 95 ASP H H 1 8.4466 0.0000 . 1 . . . . . 95 ASP H . 26322 1 402 . 1 . 1 95 95 ASP CA C 13 49.5128 0.0000 . 1 . . . . . 95 ASP CA . 26322 1 403 . 1 . 1 95 95 ASP CB C 13 39.3447 0.0000 . 1 . . . . . 95 ASP CB . 26322 1 404 . 1 . 1 95 95 ASP N N 15 125.7148 0.0000 . 1 . . . . . 95 ASP N . 26322 1 405 . 1 . 1 96 96 PRO C C 13 175.6593 0.0000 . 1 . . . . . 96 PRO C . 26322 1 406 . 1 . 1 96 96 PRO CA C 13 60.3618 0.0000 . 1 . . . . . 96 PRO CA . 26322 1 407 . 1 . 1 96 96 PRO CB C 13 30.2350 0.0000 . 1 . . . . . 96 PRO CB . 26322 1 408 . 1 . 1 97 97 GLU H H 1 8.4830 0.0000 . 1 . . . . . 97 GLU H . 26322 1 409 . 1 . 1 97 97 GLU C C 13 176.3379 0.0000 . 1 . . . . . 97 GLU C . 26322 1 410 . 1 . 1 97 97 GLU CA C 13 57.6296 0.0000 . 1 . . . . . 97 GLU CA . 26322 1 411 . 1 . 1 97 97 GLU CB C 13 27.0803 0.0000 . 1 . . . . . 97 GLU CB . 26322 1 412 . 1 . 1 97 97 GLU N N 15 118.2028 0.0000 . 1 . . . . . 97 GLU N . 26322 1 413 . 1 . 1 98 98 GLU H H 1 7.9107 0.0000 . 1 . . . . . 98 GLU H . 26322 1 414 . 1 . 1 98 98 GLU C C 13 176.0154 0.0000 . 1 . . . . . 98 GLU C . 26322 1 415 . 1 . 1 98 98 GLU CA C 13 56.1344 0.0000 . 1 . . . . . 98 GLU CA . 26322 1 416 . 1 . 1 98 98 GLU CB C 13 26.7028 0.0000 . 1 . . . . . 98 GLU CB . 26322 1 417 . 1 . 1 98 98 GLU N N 15 121.6310 0.0000 . 1 . . . . . 98 GLU N . 26322 1 418 . 1 . 1 99 99 LEU H H 1 8.3522 0.0000 . 1 . . . . . 99 LEU H . 26322 1 419 . 1 . 1 99 99 LEU C C 13 174.8848 0.0000 . 1 . . . . . 99 LEU C . 26322 1 420 . 1 . 1 99 99 LEU CB C 13 38.6902 0.0000 . 1 . . . . . 99 LEU CB . 26322 1 421 . 1 . 1 99 99 LEU N N 15 121.6189 0.0000 . 1 . . . . . 99 LEU N . 26322 1 422 . 1 . 1 100 100 PHE H H 1 7.8756 0.0000 . 1 . . . . . 100 PHE H . 26322 1 423 . 1 . 1 100 100 PHE C C 13 174.8728 0.0000 . 1 . . . . . 100 PHE C . 26322 1 424 . 1 . 1 100 100 PHE CA C 13 59.8814 0.0000 . 1 . . . . . 100 PHE CA . 26322 1 425 . 1 . 1 100 100 PHE CB C 13 36.9383 0.0000 . 1 . . . . . 100 PHE CB . 26322 1 426 . 1 . 1 100 100 PHE N N 15 117.9273 0.0000 . 1 . . . . . 100 PHE N . 26322 1 427 . 1 . 1 101 101 ARG H H 1 7.9646 0.0000 . 1 . . . . . 101 ARG H . 26322 1 428 . 1 . 1 101 101 ARG C C 13 176.6467 0.0000 . 1 . . . . . 101 ARG C . 26322 1 429 . 1 . 1 101 101 ARG CA C 13 56.4211 0.0000 . 1 . . . . . 101 ARG CA . 26322 1 430 . 1 . 1 101 101 ARG CB C 13 27.8547 0.0000 . 1 . . . . . 101 ARG CB . 26322 1 431 . 1 . 1 101 101 ARG N N 15 117.6808 0.0000 . 1 . . . . . 101 ARG N . 26322 1 432 . 1 . 1 102 102 LYS H H 1 8.4033 0.0000 . 1 . . . . . 102 LYS H . 26322 1 433 . 1 . 1 102 102 LYS C C 13 175.7718 0.0000 . 1 . . . . . 102 LYS C . 26322 1 434 . 1 . 1 102 102 LYS CA C 13 56.2564 0.0000 . 1 . . . . . 102 LYS CA . 26322 1 435 . 1 . 1 102 102 LYS CB C 13 29.6394 0.0000 . 1 . . . . . 102 LYS CB . 26322 1 436 . 1 . 1 102 102 LYS N N 15 120.8528 0.0000 . 1 . . . . . 102 LYS N . 26322 1 437 . 1 . 1 103 103 ILE H H 1 7.9308 0.0000 . 1 . . . . . 103 ILE H . 26322 1 438 . 1 . 1 103 103 ILE C C 13 175.0854 0.0000 . 1 . . . . . 103 ILE C . 26322 1 439 . 1 . 1 103 103 ILE CA C 13 59.3441 0.0000 . 1 . . . . . 103 ILE CA . 26322 1 440 . 1 . 1 103 103 ILE CB C 13 34.5919 0.0000 . 1 . . . . . 103 ILE CB . 26322 1 441 . 1 . 1 103 103 ILE N N 15 117.0186 0.0000 . 1 . . . . . 103 ILE N . 26322 1 442 . 1 . 1 104 104 PHE H H 1 7.8992 0.0000 . 1 . . . . . 104 PHE H . 26322 1 443 . 1 . 1 104 104 PHE C C 13 173.9726 0.0000 . 1 . . . . . 104 PHE C . 26322 1 444 . 1 . 1 104 104 PHE CA C 13 55.6400 0.0000 . 1 . . . . . 104 PHE CA . 26322 1 445 . 1 . 1 104 104 PHE CB C 13 36.9240 0.0000 . 1 . . . . . 104 PHE CB . 26322 1 446 . 1 . 1 104 104 PHE N N 15 115.5154 0.0000 . 1 . . . . . 104 PHE N . 26322 1 447 . 1 . 1 105 105 GLY H H 1 8.1081 0.0000 . 1 . . . . . 105 GLY H . 26322 1 448 . 1 . 1 105 105 GLY C C 13 170.4377 0.0000 . 1 . . . . . 105 GLY C . 26322 1 449 . 1 . 1 105 105 GLY CA C 13 43.3116 0.0000 . 1 . . . . . 105 GLY CA . 26322 1 450 . 1 . 1 105 105 GLY N N 15 110.2849 0.0000 . 1 . . . . . 105 GLY N . 26322 1 451 . 1 . 1 106 106 GLU H H 1 7.4559 0.0000 . 1 . . . . . 106 GLU H . 26322 1 452 . 1 . 1 106 106 GLU CA C 13 54.7327 0.0000 . 1 . . . . . 106 GLU CA . 26322 1 453 . 1 . 1 106 106 GLU CB C 13 29.2568 0.0000 . 1 . . . . . 106 GLU CB . 26322 1 454 . 1 . 1 106 106 GLU N N 15 123.8749 0.0000 . 1 . . . . . 106 GLU N . 26322 1 stop_ save_