data_27475 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27475 _Entry.Title ; NMR assignments of the mammalian proteasome subunit DSS1. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-05-09 _Entry.Accession_date 2018-05-09 _Entry.Last_release_date 2018-05-10 _Entry.Original_release_date 2018-05-10 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _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 Liping Yu . . . . 27475 2 Sarah Hengel . . . . 27475 3 Maria Spies . . . . 27475 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27475 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 244 27475 '15N chemical shifts' 81 27475 '1H chemical shifts' 81 27475 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 . . 2019-05-10 . original BMRB . 27475 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27475 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; NMR assignments of the mammalian proteasome subunit DSS1. ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _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 Sarah Hengel . . . . 27475 1 2 Liping Yu . . . . 27475 1 3 Maria Spies . . . . 27475 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27475 _Assembly.ID 1 _Assembly.Name 'DSS1 monomer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'DSS1 monomer' 1 $DSS1 A . yes native no no . . . 27475 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DSS1 _Entity.Sf_category entity _Entity.Sf_framecode DSS1 _Entity.Entry_ID 27475 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name DSS1 _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 ; GSPGISGGGGGILDSMGMSE KKQPVDLGLLEEDDEFEEFP AEDWAGLDEDEDAHVWEDNW DDDNVEDDFSNQLRAELEKH GYKMETS ; _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 87 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -16 GLY . 27475 1 2 -15 SER . 27475 1 3 -14 PRO . 27475 1 4 -13 GLY . 27475 1 5 -12 ILE . 27475 1 6 -11 SER . 27475 1 7 -10 GLY . 27475 1 8 -9 GLY . 27475 1 9 -8 GLY . 27475 1 10 -7 GLY . 27475 1 11 -6 GLY . 27475 1 12 -5 ILE . 27475 1 13 -4 LEU . 27475 1 14 -3 ASP . 27475 1 15 -2 SER . 27475 1 16 -1 MET . 27475 1 17 0 GLY . 27475 1 18 1 MET . 27475 1 19 2 SER . 27475 1 20 3 GLU . 27475 1 21 4 LYS . 27475 1 22 5 LYS . 27475 1 23 6 GLN . 27475 1 24 7 PRO . 27475 1 25 8 VAL . 27475 1 26 9 ASP . 27475 1 27 10 LEU . 27475 1 28 11 GLY . 27475 1 29 12 LEU . 27475 1 30 13 LEU . 27475 1 31 14 GLU . 27475 1 32 15 GLU . 27475 1 33 16 ASP . 27475 1 34 17 ASP . 27475 1 35 18 GLU . 27475 1 36 19 PHE . 27475 1 37 20 GLU . 27475 1 38 21 GLU . 27475 1 39 22 PHE . 27475 1 40 23 PRO . 27475 1 41 24 ALA . 27475 1 42 25 GLU . 27475 1 43 26 ASP . 27475 1 44 27 TRP . 27475 1 45 28 ALA . 27475 1 46 29 GLY . 27475 1 47 30 LEU . 27475 1 48 31 ASP . 27475 1 49 32 GLU . 27475 1 50 33 ASP . 27475 1 51 34 GLU . 27475 1 52 35 ASP . 27475 1 53 36 ALA . 27475 1 54 37 HIS . 27475 1 55 38 VAL . 27475 1 56 39 TRP . 27475 1 57 40 GLU . 27475 1 58 41 ASP . 27475 1 59 42 ASN . 27475 1 60 43 TRP . 27475 1 61 44 ASP . 27475 1 62 45 ASP . 27475 1 63 46 ASP . 27475 1 64 47 ASN . 27475 1 65 48 VAL . 27475 1 66 49 GLU . 27475 1 67 50 ASP . 27475 1 68 51 ASP . 27475 1 69 52 PHE . 27475 1 70 53 SER . 27475 1 71 54 ASN . 27475 1 72 55 GLN . 27475 1 73 56 LEU . 27475 1 74 57 ARG . 27475 1 75 58 ALA . 27475 1 76 59 GLU . 27475 1 77 60 LEU . 27475 1 78 61 GLU . 27475 1 79 62 LYS . 27475 1 80 63 HIS . 27475 1 81 64 GLY . 27475 1 82 65 TYR . 27475 1 83 66 LYS . 27475 1 84 67 MET . 27475 1 85 68 GLU . 27475 1 86 69 THR . 27475 1 87 70 SER . 27475 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 27475 1 . SER 2 2 27475 1 . PRO 3 3 27475 1 . GLY 4 4 27475 1 . ILE 5 5 27475 1 . SER 6 6 27475 1 . GLY 7 7 27475 1 . GLY 8 8 27475 1 . GLY 9 9 27475 1 . GLY 10 10 27475 1 . GLY 11 11 27475 1 . ILE 12 12 27475 1 . LEU 13 13 27475 1 . ASP 14 14 27475 1 . SER 15 15 27475 1 . MET 16 16 27475 1 . GLY 17 17 27475 1 . MET 18 18 27475 1 . SER 19 19 27475 1 . GLU 20 20 27475 1 . LYS 21 21 27475 1 . LYS 22 22 27475 1 . GLN 23 23 27475 1 . PRO 24 24 27475 1 . VAL 25 25 27475 1 . ASP 26 26 27475 1 . LEU 27 27 27475 1 . GLY 28 28 27475 1 . LEU 29 29 27475 1 . LEU 30 30 27475 1 . GLU 31 31 27475 1 . GLU 32 32 27475 1 . ASP 33 33 27475 1 . ASP 34 34 27475 1 . GLU 35 35 27475 1 . PHE 36 36 27475 1 . GLU 37 37 27475 1 . GLU 38 38 27475 1 . PHE 39 39 27475 1 . PRO 40 40 27475 1 . ALA 41 41 27475 1 . GLU 42 42 27475 1 . ASP 43 43 27475 1 . TRP 44 44 27475 1 . ALA 45 45 27475 1 . GLY 46 46 27475 1 . LEU 47 47 27475 1 . ASP 48 48 27475 1 . GLU 49 49 27475 1 . ASP 50 50 27475 1 . GLU 51 51 27475 1 . ASP 52 52 27475 1 . ALA 53 53 27475 1 . HIS 54 54 27475 1 . VAL 55 55 27475 1 . TRP 56 56 27475 1 . GLU 57 57 27475 1 . ASP 58 58 27475 1 . ASN 59 59 27475 1 . TRP 60 60 27475 1 . ASP 61 61 27475 1 . ASP 62 62 27475 1 . ASP 63 63 27475 1 . ASN 64 64 27475 1 . VAL 65 65 27475 1 . GLU 66 66 27475 1 . ASP 67 67 27475 1 . ASP 68 68 27475 1 . PHE 69 69 27475 1 . SER 70 70 27475 1 . ASN 71 71 27475 1 . GLN 72 72 27475 1 . LEU 73 73 27475 1 . ARG 74 74 27475 1 . ALA 75 75 27475 1 . GLU 76 76 27475 1 . LEU 77 77 27475 1 . GLU 78 78 27475 1 . LYS 79 79 27475 1 . HIS 80 80 27475 1 . GLY 81 81 27475 1 . TYR 82 82 27475 1 . LYS 83 83 27475 1 . MET 84 84 27475 1 . GLU 85 85 27475 1 . THR 86 86 27475 1 . SER 87 87 27475 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27475 _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 $DSS1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27475 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27475 _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 $DSS1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pGEX-KG . . . 27475 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27475 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 DSS1 '[U-100% 13C; U-100% 15N]' . . 1 $DSS1 . . 0.22 . . mM . . . . 27475 1 2 TRIS 'natural abundance' . . . . . . 25 . . mM . . . . 27475 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 27475 1 4 EDTA 'natural abundance' . . . . . . 25 . . uM . . . . 27475 1 5 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 27475 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 27475 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 75 . mM 27475 1 pH 7.5 . pH 27475 1 pressure 1 . atm 27475 1 temperature 278 . K 27475 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 27475 _Software.ID 1 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 27475 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27475 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27475 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27475 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 . . . 27475 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27475 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27475 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27475 1 3 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27475 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27475 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27475 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27475 1 7 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27475 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27475 1 9 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27475 1 10 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27475 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27475 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27475 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27475 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27475 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27475 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27475 1 2 '3D HNCACB' . . . 27475 1 3 '3D HN(CO)CACB' . . . 27475 1 4 '3D HNCO' . . . 27475 1 5 '3D HN(CA)CO' . . . 27475 1 6 '3D HNCA' . . . 27475 1 7 '3D HN(CO)CA' . . . 27475 1 8 '3D HBHA(CO)NH' . . . 27475 1 9 '3D C(CO)NH' . . . 27475 1 10 '3D H(CCO)NH' . . . 27475 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 3 3 PRO C C 13 177.2000 0.15 . 1 . . . . . -14 PRO C . 27475 1 2 . 1 1 3 3 PRO CA C 13 63.3500 0.15 . 1 . . . . . -14 PRO CA . 27475 1 3 . 1 1 3 3 PRO CB C 13 31.5770 0.15 . 1 . . . . . -14 PRO CB . 27475 1 4 . 1 1 4 4 GLY H H 1 8.4890 0.01 . 1 . . . . . -13 GLY HN . 27475 1 5 . 1 1 4 4 GLY C C 13 173.8100 0.15 . 1 . . . . . -13 GLY C . 27475 1 6 . 1 1 4 4 GLY CA C 13 44.7800 0.15 . 1 . . . . . -13 GLY CA . 27475 1 7 . 1 1 4 4 GLY N N 15 109.2200 0.15 . 1 . . . . . -13 GLY N . 27475 1 8 . 1 1 5 5 ILE H H 1 8.1000 0.01 . 1 . . . . . -12 ILE HN . 27475 1 9 . 1 1 5 5 ILE C C 13 176.3950 0.15 . 1 . . . . . -12 ILE C . 27475 1 10 . 1 1 5 5 ILE CA C 13 60.7900 0.15 . 1 . . . . . -12 ILE CA . 27475 1 11 . 1 1 5 5 ILE CB C 13 38.5000 0.15 . 1 . . . . . -12 ILE CB . 27475 1 12 . 1 1 5 5 ILE N N 15 120.0000 0.15 . 1 . . . . . -12 ILE N . 27475 1 13 . 1 1 6 6 SER H H 1 8.5780 0.01 . 1 . . . . . -11 SER HN . 27475 1 14 . 1 1 6 6 SER C C 13 174.9550 0.15 . 1 . . . . . -11 SER C . 27475 1 15 . 1 1 6 6 SER CA C 13 58.2900 0.15 . 1 . . . . . -11 SER CA . 27475 1 16 . 1 1 6 6 SER CB C 13 63.4400 0.15 . 1 . . . . . -11 SER CB . 27475 1 17 . 1 1 6 6 SER N N 15 120.2100 0.15 . 1 . . . . . -11 SER N . 27475 1 18 . 1 1 7 7 GLY H H 1 8.5780 0.01 . 1 . . . . . -10 GLY HN . 27475 1 19 . 1 1 7 7 GLY C C 13 174.5800 0.15 . 1 . . . . . -10 GLY C . 27475 1 20 . 1 1 7 7 GLY CA C 13 45.1100 0.15 . 1 . . . . . -10 GLY CA . 27475 1 21 . 1 1 7 7 GLY N N 15 111.3300 0.15 . 1 . . . . . -10 GLY N . 27475 1 22 . 1 1 8 8 GLY H H 1 8.4880 0.01 . 1 . . . . . -9 GLY HN . 27475 1 23 . 1 1 8 8 GLY C C 13 174.5700 0.15 . 1 . . . . . -9 GLY C . 27475 1 24 . 1 1 8 8 GLY CA C 13 45.0300 0.15 . 1 . . . . . -9 GLY CA . 27475 1 25 . 1 1 8 8 GLY N N 15 108.8910 0.15 . 1 . . . . . -9 GLY N . 27475 1 26 . 1 1 9 9 GLY H H 1 8.4880 0.01 . 1 . . . . . -8 GLY HN . 27475 1 27 . 1 1 9 9 GLY CA C 13 45.0300 0.15 . 1 . . . . . -8 GLY CA . 27475 1 28 . 1 1 9 9 GLY N N 15 108.8910 0.15 . 1 . . . . . -8 GLY N . 27475 1 29 . 1 1 10 10 GLY H H 1 8.4880 0.01 . 1 . . . . . -7 GLY HN . 27475 1 30 . 1 1 10 10 GLY C C 13 174.4804 0.15 . 1 . . . . . -7 GLY C . 27475 1 31 . 1 1 10 10 GLY CA C 13 44.8182 0.15 . 1 . . . . . -7 GLY CA . 27475 1 32 . 1 1 10 10 GLY N N 15 108.8910 0.15 . 1 . . . . . -7 GLY N . 27475 1 33 . 1 1 11 11 GLY H H 1 8.3990 0.01 . 1 . . . . . -6 GLY HN . 27475 1 34 . 1 1 11 11 GLY C C 13 173.9779 0.15 . 1 . . . . . -6 GLY C . 27475 1 35 . 1 1 11 11 GLY CA C 13 44.7264 0.15 . 1 . . . . . -6 GLY CA . 27475 1 36 . 1 1 11 11 GLY N N 15 108.8781 0.15 . 1 . . . . . -6 GLY N . 27475 1 37 . 1 1 12 12 ILE H H 1 8.1575 0.01 . 1 . . . . . -5 ILE HN . 27475 1 38 . 1 1 12 12 ILE C C 13 176.3974 0.15 . 1 . . . . . -5 ILE C . 27475 1 39 . 1 1 12 12 ILE CA C 13 61.1626 0.15 . 1 . . . . . -5 ILE CA . 27475 1 40 . 1 1 12 12 ILE CB C 13 38.3017 0.15 . 1 . . . . . -5 ILE CB . 27475 1 41 . 1 1 12 12 ILE N N 15 120.3253 0.15 . 1 . . . . . -5 ILE N . 27475 1 42 . 1 1 13 13 LEU H H 1 8.4211 0.01 . 1 . . . . . -4 LEU HN . 27475 1 43 . 1 1 13 13 LEU C C 13 177.0788 0.15 . 1 . . . . . -4 LEU C . 27475 1 44 . 1 1 13 13 LEU CA C 13 54.7764 0.15 . 1 . . . . . -4 LEU CA . 27475 1 45 . 1 1 13 13 LEU CB C 13 41.8863 0.15 . 1 . . . . . -4 LEU CB . 27475 1 46 . 1 1 13 13 LEU N N 15 125.7453 0.15 . 1 . . . . . -4 LEU N . 27475 1 47 . 1 1 14 14 ASP H H 1 8.3257 0.01 . 1 . . . . . -3 ASP HN . 27475 1 48 . 1 1 14 14 ASP C C 13 176.4881 0.15 . 1 . . . . . -3 ASP C . 27475 1 49 . 1 1 14 14 ASP CA C 13 54.2300 0.15 . 1 . . . . . -3 ASP CA . 27475 1 50 . 1 1 14 14 ASP CB C 13 40.8700 0.15 . 1 . . . . . -3 ASP CB . 27475 1 51 . 1 1 14 14 ASP N N 15 121.4011 0.15 . 1 . . . . . -3 ASP N . 27475 1 52 . 1 1 15 15 SER H H 1 8.3180 0.01 . 1 . . . . . -2 SER HN . 27475 1 53 . 1 1 15 15 SER C C 13 176.8140 0.15 . 1 . . . . . -2 SER C . 27475 1 54 . 1 1 15 15 SER CA C 13 58.7900 0.15 . 1 . . . . . -2 SER CA . 27475 1 55 . 1 1 15 15 SER CB C 13 63.1670 0.15 . 1 . . . . . -2 SER CB . 27475 1 56 . 1 1 15 15 SER N N 15 116.0000 0.15 . 1 . . . . . -2 SER N . 27475 1 57 . 1 1 16 16 MET H H 1 8.3860 0.01 . 1 . . . . . -1 MET HN . 27475 1 58 . 1 1 16 16 MET C C 13 176.8123 0.15 . 1 . . . . . -1 MET C . 27475 1 59 . 1 1 16 16 MET CA C 13 55.6323 0.15 . 1 . . . . . -1 MET CA . 27475 1 60 . 1 1 16 16 MET CB C 13 31.9763 0.15 . 1 . . . . . -1 MET CB . 27475 1 61 . 1 1 16 16 MET N N 15 121.3000 0.15 . 1 . . . . . -1 MET N . 27475 1 62 . 1 1 17 17 GLY H H 1 8.3860 0.01 . 1 . . . . . 0 GLY HN . 27475 1 63 . 1 1 17 17 GLY C C 13 174.1858 0.15 . 1 . . . . . 0 GLY C . 27475 1 64 . 1 1 17 17 GLY CA C 13 45.3205 0.15 . 1 . . . . . 0 GLY CA . 27475 1 65 . 1 1 17 17 GLY N N 15 109.3519 0.15 . 1 . . . . . 0 GLY N . 27475 1 66 . 1 1 18 18 MET H H 1 8.2762 0.01 . 1 . . . . . 1 MET HN . 27475 1 67 . 1 1 18 18 MET C C 13 176.3418 0.15 . 1 . . . . . 1 MET C . 27475 1 68 . 1 1 18 18 MET CA C 13 55.1084 0.15 . 1 . . . . . 1 MET CA . 27475 1 69 . 1 1 18 18 MET CB C 13 32.4600 0.15 . 1 . . . . . 1 MET CB . 27475 1 70 . 1 1 18 18 MET N N 15 119.7383 0.15 . 1 . . . . . 1 MET N . 27475 1 71 . 1 1 19 19 SER H H 1 8.4174 0.01 . 1 . . . . . 2 SER HN . 27475 1 72 . 1 1 19 19 SER C C 13 174.3088 0.15 . 1 . . . . . 2 SER C . 27475 1 73 . 1 1 19 19 SER CA C 13 58.3033 0.15 . 1 . . . . . 2 SER CA . 27475 1 74 . 1 1 19 19 SER CB C 13 63.4482 0.15 . 1 . . . . . 2 SER CB . 27475 1 75 . 1 1 19 19 SER N N 15 116.7710 0.15 . 1 . . . . . 2 SER N . 27475 1 76 . 1 1 20 20 GLU H H 1 8.4726 0.01 . 1 . . . . . 3 GLU HN . 27475 1 77 . 1 1 20 20 GLU C C 13 176.1503 0.15 . 1 . . . . . 3 GLU C . 27475 1 78 . 1 1 20 20 GLU CA C 13 56.2287 0.15 . 1 . . . . . 3 GLU CA . 27475 1 79 . 1 1 20 20 GLU CB C 13 28.8900 0.15 . 1 . . . . . 3 GLU CB . 27475 1 80 . 1 1 20 20 GLU N N 15 122.8823 0.15 . 1 . . . . . 3 GLU N . 27475 1 81 . 1 1 21 21 LYS H H 1 8.3770 0.01 . 1 . . . . . 4 LYS HN . 27475 1 82 . 1 1 21 21 LYS C C 13 176.1500 0.15 . 1 . . . . . 4 LYS C . 27475 1 83 . 1 1 21 21 LYS CA C 13 55.8300 0.15 . 1 . . . . . 4 LYS CA . 27475 1 84 . 1 1 21 21 LYS CB C 13 32.5860 0.15 . 1 . . . . . 4 LYS CB . 27475 1 85 . 1 1 21 21 LYS N N 15 122.9000 0.15 . 1 . . . . . 4 LYS N . 27475 1 86 . 1 1 22 22 LYS H H 1 8.4620 0.01 . 1 . . . . . 5 LYS HN . 27475 1 87 . 1 1 22 22 LYS C C 13 176.1350 0.15 . 1 . . . . . 5 LYS C . 27475 1 88 . 1 1 22 22 LYS CA C 13 55.5240 0.15 . 1 . . . . . 5 LYS CA . 27475 1 89 . 1 1 22 22 LYS CB C 13 32.7380 0.15 . 1 . . . . . 5 LYS CB . 27475 1 90 . 1 1 22 22 LYS N N 15 123.6980 0.15 . 1 . . . . . 5 LYS N . 27475 1 91 . 1 1 23 23 GLN H H 1 8.6060 0.01 . 1 . . . . . 6 GLN HN . 27475 1 92 . 1 1 23 23 GLN C C 13 173.8270 0.15 . 1 . . . . . 6 GLN C . 27475 1 93 . 1 1 23 23 GLN CA C 13 53.4400 0.15 . 1 . . . . . 6 GLN CA . 27475 1 94 . 1 1 23 23 GLN CB C 13 28.4400 0.15 . 1 . . . . . 6 GLN CB . 27475 1 95 . 1 1 23 23 GLN N N 15 123.4400 0.15 . 1 . . . . . 6 GLN N . 27475 1 96 . 1 1 24 24 PRO C C 13 176.5961 0.15 . 1 . . . . . 7 PRO C . 27475 1 97 . 1 1 24 24 PRO CA C 13 62.8500 0.15 . 1 . . . . . 7 PRO CA . 27475 1 98 . 1 1 24 24 PRO CB C 13 31.8319 0.15 . 1 . . . . . 7 PRO CB . 27475 1 99 . 1 1 25 25 VAL H H 1 8.2949 0.01 . 1 . . . . . 8 VAL HN . 27475 1 100 . 1 1 25 25 VAL C C 13 175.4713 0.15 . 1 . . . . . 8 VAL C . 27475 1 101 . 1 1 25 25 VAL CA C 13 62.0242 0.15 . 1 . . . . . 8 VAL CA . 27475 1 102 . 1 1 25 25 VAL CB C 13 32.5542 0.15 . 1 . . . . . 8 VAL CB . 27475 1 103 . 1 1 25 25 VAL N N 15 120.1501 0.15 . 1 . . . . . 8 VAL N . 27475 1 104 . 1 1 26 26 ASP H H 1 8.4253 0.01 . 1 . . . . . 9 ASP HN . 27475 1 105 . 1 1 26 26 ASP C C 13 176.0634 0.15 . 1 . . . . . 9 ASP C . 27475 1 106 . 1 1 26 26 ASP CA C 13 53.6670 0.15 . 1 . . . . . 9 ASP CA . 27475 1 107 . 1 1 26 26 ASP CB C 13 40.8279 0.15 . 1 . . . . . 9 ASP CB . 27475 1 108 . 1 1 26 26 ASP N N 15 123.9215 0.15 . 1 . . . . . 9 ASP N . 27475 1 109 . 1 1 27 27 LEU H H 1 8.4615 0.01 . 1 . . . . . 10 LEU HN . 27475 1 110 . 1 1 27 27 LEU C C 13 177.9518 0.15 . 1 . . . . . 10 LEU C . 27475 1 111 . 1 1 27 27 LEU CA C 13 55.2517 0.15 . 1 . . . . . 10 LEU CA . 27475 1 112 . 1 1 27 27 LEU CB C 13 41.6812 0.15 . 1 . . . . . 10 LEU CB . 27475 1 113 . 1 1 27 27 LEU N N 15 124.0634 0.15 . 1 . . . . . 10 LEU N . 27475 1 114 . 1 1 28 28 GLY H H 1 8.5418 0.01 . 1 . . . . . 11 GLY HN . 27475 1 115 . 1 1 28 28 GLY C C 13 173.9451 0.15 . 1 . . . . . 11 GLY C . 27475 1 116 . 1 1 28 28 GLY CA C 13 45.1266 0.15 . 1 . . . . . 11 GLY CA . 27475 1 117 . 1 1 28 28 GLY N N 15 108.8994 0.15 . 1 . . . . . 11 GLY N . 27475 1 118 . 1 1 29 29 LEU H H 1 7.9567 0.01 . 1 . . . . . 12 LEU HN . 27475 1 119 . 1 1 29 29 LEU C C 13 177.0590 0.15 . 1 . . . . . 12 LEU C . 27475 1 120 . 1 1 29 29 LEU CA C 13 54.6532 0.15 . 1 . . . . . 12 LEU CA . 27475 1 121 . 1 1 29 29 LEU CB C 13 41.8938 0.15 . 1 . . . . . 12 LEU CB . 27475 1 122 . 1 1 29 29 LEU N N 15 120.9594 0.15 . 1 . . . . . 12 LEU N . 27475 1 123 . 1 1 30 30 LEU H H 1 8.2659 0.01 . 1 . . . . . 13 LEU HN . 27475 1 124 . 1 1 30 30 LEU C C 13 176.9780 0.15 . 1 . . . . . 13 LEU C . 27475 1 125 . 1 1 30 30 LEU CA C 13 54.6375 0.15 . 1 . . . . . 13 LEU CA . 27475 1 126 . 1 1 30 30 LEU CB C 13 41.9300 0.15 . 1 . . . . . 13 LEU CB . 27475 1 127 . 1 1 30 30 LEU N N 15 123.0021 0.15 . 1 . . . . . 13 LEU N . 27475 1 128 . 1 1 31 31 GLU H H 1 8.4450 0.01 . 1 . . . . . 14 GLU HN . 27475 1 129 . 1 1 31 31 GLU C C 13 176.1000 0.15 . 1 . . . . . 14 GLU C . 27475 1 130 . 1 1 31 31 GLU CA C 13 56.1790 0.15 . 1 . . . . . 14 GLU CA . 27475 1 131 . 1 1 31 31 GLU CB C 13 29.9800 0.15 . 1 . . . . . 14 GLU CB . 27475 1 132 . 1 1 31 31 GLU N N 15 122.0700 0.15 . 1 . . . . . 14 GLU N . 27475 1 133 . 1 1 32 32 GLU H H 1 8.3940 0.01 . 1 . . . . . 15 GLU HN . 27475 1 134 . 1 1 32 32 GLU C C 13 176.0600 0.15 . 1 . . . . . 15 GLU C . 27475 1 135 . 1 1 32 32 GLU CA C 13 56.3000 0.15 . 1 . . . . . 15 GLU CA . 27475 1 136 . 1 1 32 32 GLU CB C 13 30.1860 0.15 . 1 . . . . . 15 GLU CB . 27475 1 137 . 1 1 32 32 GLU N N 15 121.4010 0.15 . 1 . . . . . 15 GLU N . 27475 1 138 . 1 1 33 33 ASP H H 1 8.4980 0.01 . 1 . . . . . 16 ASP HN . 27475 1 139 . 1 1 33 33 ASP C C 13 175.9000 0.15 . 1 . . . . . 16 ASP C . 27475 1 140 . 1 1 33 33 ASP CA C 13 54.3200 0.15 . 1 . . . . . 16 ASP CA . 27475 1 141 . 1 1 33 33 ASP CB C 13 40.7800 0.15 . 1 . . . . . 16 ASP CB . 27475 1 142 . 1 1 33 33 ASP N N 15 121.9000 0.15 . 1 . . . . . 16 ASP N . 27475 1 143 . 1 1 34 34 ASP H H 1 8.3280 0.01 . 1 . . . . . 17 ASP HN . 27475 1 144 . 1 1 34 34 ASP C C 13 175.8000 0.15 . 1 . . . . . 17 ASP C . 27475 1 145 . 1 1 34 34 ASP CA C 13 54.2300 0.15 . 1 . . . . . 17 ASP CA . 27475 1 146 . 1 1 34 34 ASP CB C 13 40.8000 0.15 . 1 . . . . . 17 ASP CB . 27475 1 147 . 1 1 34 34 ASP N N 15 120.3900 0.15 . 1 . . . . . 17 ASP N . 27475 1 148 . 1 1 35 35 GLU H H 1 8.4360 0.01 . 1 . . . . . 18 GLU HN . 27475 1 149 . 1 1 35 35 GLU C C 13 175.7896 0.15 . 1 . . . . . 18 GLU C . 27475 1 150 . 1 1 35 35 GLU CA C 13 56.1400 0.15 . 1 . . . . . 18 GLU CA . 27475 1 151 . 1 1 35 35 GLU CB C 13 30.0123 0.15 . 1 . . . . . 18 GLU CB . 27475 1 152 . 1 1 35 35 GLU N N 15 121.4000 0.15 . 1 . . . . . 18 GLU N . 27475 1 153 . 1 1 36 36 PHE H H 1 8.2803 0.01 . 1 . . . . . 19 PHE HN . 27475 1 154 . 1 1 36 36 PHE C C 13 174.9440 0.15 . 1 . . . . . 19 PHE C . 27475 1 155 . 1 1 36 36 PHE CA C 13 57.3334 0.15 . 1 . . . . . 19 PHE CA . 27475 1 156 . 1 1 36 36 PHE CB C 13 39.3961 0.15 . 1 . . . . . 19 PHE CB . 27475 1 157 . 1 1 36 36 PHE N N 15 121.5021 0.15 . 1 . . . . . 19 PHE N . 27475 1 158 . 1 1 37 37 GLU H H 1 8.1536 0.01 . 1 . . . . . 20 GLU HN . 27475 1 159 . 1 1 37 37 GLU C C 13 174.7763 0.15 . 1 . . . . . 20 GLU C . 27475 1 160 . 1 1 37 37 GLU CA C 13 55.5052 0.15 . 1 . . . . . 20 GLU CA . 27475 1 161 . 1 1 37 37 GLU CB C 13 30.5153 0.15 . 1 . . . . . 20 GLU CB . 27475 1 162 . 1 1 37 37 GLU N N 15 124.2248 0.15 . 1 . . . . . 20 GLU N . 27475 1 163 . 1 1 38 38 GLU H H 1 8.3327 0.01 . 1 . . . . . 21 GLU HN . 27475 1 164 . 1 1 38 38 GLU C C 13 175.4375 0.15 . 1 . . . . . 21 GLU C . 27475 1 165 . 1 1 38 38 GLU CA C 13 55.9500 0.15 . 1 . . . . . 21 GLU CA . 27475 1 166 . 1 1 38 38 GLU CB C 13 30.4900 0.15 . 1 . . . . . 21 GLU CB . 27475 1 167 . 1 1 38 38 GLU N N 15 123.5193 0.15 . 1 . . . . . 21 GLU N . 27475 1 168 . 1 1 39 39 PHE H H 1 8.4930 0.01 . 1 . . . . . 22 PHE HN . 27475 1 169 . 1 1 39 39 PHE C C 13 173.3200 0.15 . 1 . . . . . 22 PHE C . 27475 1 170 . 1 1 39 39 PHE CA C 13 56.1480 0.15 . 1 . . . . . 22 PHE CA . 27475 1 171 . 1 1 39 39 PHE CB C 13 38.6500 0.15 . 1 . . . . . 22 PHE CB . 27475 1 172 . 1 1 39 39 PHE N N 15 121.8000 0.15 . 1 . . . . . 22 PHE N . 27475 1 173 . 1 1 40 40 PRO C C 13 176.2600 0.15 . 1 . . . . . 23 PRO C . 27475 1 174 . 1 1 40 40 PRO CA C 13 62.5530 0.15 . 1 . . . . . 23 PRO CA . 27475 1 175 . 1 1 40 40 PRO CB C 13 31.6660 0.15 . 1 . . . . . 23 PRO CB . 27475 1 176 . 1 1 41 41 ALA H H 1 8.5210 0.01 . 1 . . . . . 24 ALA HN . 27475 1 177 . 1 1 41 41 ALA C C 13 177.7800 0.15 . 1 . . . . . 24 ALA C . 27475 1 178 . 1 1 41 41 ALA CA C 13 52.1100 0.15 . 1 . . . . . 24 ALA CA . 27475 1 179 . 1 1 41 41 ALA CB C 13 18.9990 0.15 . 1 . . . . . 24 ALA CB . 27475 1 180 . 1 1 41 41 ALA N N 15 125.1300 0.15 . 1 . . . . . 24 ALA N . 27475 1 181 . 1 1 42 42 GLU H H 1 8.5250 0.01 . 1 . . . . . 25 GLU HN . 27475 1 182 . 1 1 42 42 GLU C C 13 175.8900 0.15 . 1 . . . . . 25 GLU C . 27475 1 183 . 1 1 42 42 GLU CA C 13 56.2000 0.15 . 1 . . . . . 25 GLU CA . 27475 1 184 . 1 1 42 42 GLU CB C 13 30.0090 0.15 . 1 . . . . . 25 GLU CB . 27475 1 185 . 1 1 42 42 GLU N N 15 120.5270 0.15 . 1 . . . . . 25 GLU N . 27475 1 186 . 1 1 43 43 ASP H H 1 8.3940 0.01 . 1 . . . . . 26 ASP HN . 27475 1 187 . 1 1 43 43 ASP C C 13 175.7100 0.15 . 1 . . . . . 26 ASP C . 27475 1 188 . 1 1 43 43 ASP CA C 13 53.9200 0.15 . 1 . . . . . 26 ASP CA . 27475 1 189 . 1 1 43 43 ASP CB C 13 40.9030 0.15 . 1 . . . . . 26 ASP CB . 27475 1 190 . 1 1 43 43 ASP N N 15 121.4000 0.15 . 1 . . . . . 26 ASP N . 27475 1 191 . 1 1 44 44 TRP H H 1 8.1760 0.01 . 1 . . . . . 27 TRP HN . 27475 1 192 . 1 1 44 44 TRP C C 13 175.9700 0.15 . 1 . . . . . 27 TRP C . 27475 1 193 . 1 1 44 44 TRP CA C 13 57.0300 0.15 . 1 . . . . . 27 TRP CA . 27475 1 194 . 1 1 44 44 TRP CB C 13 28.9800 0.15 . 1 . . . . . 27 TRP CB . 27475 1 195 . 1 1 44 44 TRP N N 15 122.1000 0.15 . 1 . . . . . 27 TRP N . 27475 1 196 . 1 1 45 45 ALA H H 1 8.1490 0.01 . 1 . . . . . 28 ALA HN . 27475 1 197 . 1 1 45 45 ALA C C 13 177.4600 0.15 . 1 . . . . . 28 ALA C . 27475 1 198 . 1 1 45 45 ALA CA C 13 52.3380 0.15 . 1 . . . . . 28 ALA CA . 27475 1 199 . 1 1 45 45 ALA CB C 13 18.9650 0.15 . 1 . . . . . 28 ALA CB . 27475 1 200 . 1 1 45 45 ALA N N 15 126.8900 0.15 . 1 . . . . . 28 ALA N . 27475 1 201 . 1 1 46 46 GLY H H 1 7.3690 0.01 . 1 . . . . . 29 GLY HN . 27475 1 202 . 1 1 46 46 GLY C C 13 173.5450 0.15 . 1 . . . . . 29 GLY C . 27475 1 203 . 1 1 46 46 GLY CA C 13 44.7350 0.15 . 1 . . . . . 29 GLY CA . 27475 1 204 . 1 1 46 46 GLY N N 15 106.7450 0.15 . 1 . . . . . 29 GLY N . 27475 1 205 . 1 1 47 47 LEU H H 1 8.0750 0.01 . 1 . . . . . 30 LEU HN . 27475 1 206 . 1 1 47 47 LEU C C 13 177.0200 0.15 . 1 . . . . . 30 LEU C . 27475 1 207 . 1 1 47 47 LEU CA C 13 54.5400 0.15 . 1 . . . . . 30 LEU CA . 27475 1 208 . 1 1 47 47 LEU CB C 13 42.1300 0.15 . 1 . . . . . 30 LEU CB . 27475 1 209 . 1 1 47 47 LEU N N 15 121.0300 0.15 . 1 . . . . . 30 LEU N . 27475 1 210 . 1 1 48 48 ASP H H 1 8.5170 0.01 . 1 . . . . . 31 ASP HN . 27475 1 211 . 1 1 48 48 ASP C C 13 176.2400 0.15 . 1 . . . . . 31 ASP C . 27475 1 212 . 1 1 48 48 ASP CA C 13 54.0000 0.15 . 1 . . . . . 31 ASP CA . 27475 1 213 . 1 1 48 48 ASP CB C 13 40.7800 0.15 . 1 . . . . . 31 ASP CB . 27475 1 214 . 1 1 48 48 ASP N N 15 121.7000 0.15 . 1 . . . . . 31 ASP N . 27475 1 215 . 1 1 49 49 GLU H H 1 8.4760 0.01 . 1 . . . . . 32 GLU HN . 27475 1 216 . 1 1 49 49 GLU C C 13 176.2800 0.15 . 1 . . . . . 32 GLU C . 27475 1 217 . 1 1 49 49 GLU CA C 13 56.7100 0.15 . 1 . . . . . 32 GLU CA . 27475 1 218 . 1 1 49 49 GLU CB C 13 30.0000 0.15 . 1 . . . . . 32 GLU CB . 27475 1 219 . 1 1 49 49 GLU N N 15 122.1800 0.15 . 1 . . . . . 32 GLU N . 27475 1 220 . 1 1 50 50 ASP H H 1 8.4630 0.01 . 1 . . . . . 33 ASP HN . 27475 1 221 . 1 1 50 50 ASP C C 13 175.7000 0.15 . 1 . . . . . 33 ASP C . 27475 1 222 . 1 1 50 50 ASP CA C 13 54.2200 0.15 . 1 . . . . . 33 ASP CA . 27475 1 223 . 1 1 50 50 ASP CB C 13 40.8170 0.15 . 1 . . . . . 33 ASP CB . 27475 1 224 . 1 1 50 50 ASP N N 15 121.3000 0.15 . 1 . . . . . 33 ASP N . 27475 1 225 . 1 1 51 51 GLU H H 1 8.3920 0.01 . 1 . . . . . 34 GLU HN . 27475 1 226 . 1 1 51 51 GLU C C 13 175.9500 0.15 . 1 . . . . . 34 GLU C . 27475 1 227 . 1 1 51 51 GLU CA C 13 56.1700 0.15 . 1 . . . . . 34 GLU CA . 27475 1 228 . 1 1 51 51 GLU CB C 13 30.0700 0.15 . 1 . . . . . 34 GLU CB . 27475 1 229 . 1 1 51 51 GLU N N 15 121.4000 0.15 . 1 . . . . . 34 GLU N . 27475 1 230 . 1 1 52 52 ASP H H 1 8.4800 0.01 . 1 . . . . . 35 ASP HN . 27475 1 231 . 1 1 52 52 ASP C C 13 175.6927 0.15 . 1 . . . . . 35 ASP C . 27475 1 232 . 1 1 52 52 ASP CA C 13 54.0930 0.15 . 1 . . . . . 35 ASP CA . 27475 1 233 . 1 1 52 52 ASP CB C 13 40.7970 0.15 . 1 . . . . . 35 ASP CB . 27475 1 234 . 1 1 52 52 ASP N N 15 121.7100 0.15 . 1 . . . . . 35 ASP N . 27475 1 235 . 1 1 53 53 ALA H H 1 8.0932 0.01 . 1 . . . . . 36 ALA HN . 27475 1 236 . 1 1 53 53 ALA C C 13 177.3583 0.15 . 1 . . . . . 36 ALA C . 27475 1 237 . 1 1 53 53 ALA CA C 13 52.2655 0.15 . 1 . . . . . 36 ALA CA . 27475 1 238 . 1 1 53 53 ALA CB C 13 18.9051 0.15 . 1 . . . . . 36 ALA CB . 27475 1 239 . 1 1 53 53 ALA N N 15 123.9936 0.15 . 1 . . . . . 36 ALA N . 27475 1 240 . 1 1 54 54 HIS H H 1 8.3543 0.01 . 1 . . . . . 37 HIS HN . 27475 1 241 . 1 1 54 54 HIS C C 13 174.5373 0.15 . 1 . . . . . 37 HIS C . 27475 1 242 . 1 1 54 54 HIS CA C 13 55.4360 0.15 . 1 . . . . . 37 HIS CA . 27475 1 243 . 1 1 54 54 HIS CB C 13 29.2955 0.15 . 1 . . . . . 37 HIS CB . 27475 1 244 . 1 1 54 54 HIS N N 15 118.7079 0.15 . 1 . . . . . 37 HIS N . 27475 1 245 . 1 1 55 55 VAL H H 1 8.0080 0.01 . 1 . . . . . 38 VAL HN . 27475 1 246 . 1 1 55 55 VAL C C 13 175.3611 0.15 . 1 . . . . . 38 VAL C . 27475 1 247 . 1 1 55 55 VAL CA C 13 62.0544 0.15 . 1 . . . . . 38 VAL CA . 27475 1 248 . 1 1 55 55 VAL CB C 13 32.4272 0.15 . 1 . . . . . 38 VAL CB . 27475 1 249 . 1 1 55 55 VAL N N 15 122.3597 0.15 . 1 . . . . . 38 VAL N . 27475 1 250 . 1 1 56 56 TRP H H 1 8.3068 0.01 . 1 . . . . . 39 TRP HN . 27475 1 251 . 1 1 56 56 TRP C C 13 175.7080 0.15 . 1 . . . . . 39 TRP C . 27475 1 252 . 1 1 56 56 TRP CA C 13 56.6994 0.15 . 1 . . . . . 39 TRP CA . 27475 1 253 . 1 1 56 56 TRP CB C 13 29.1620 0.15 . 1 . . . . . 39 TRP CB . 27475 1 254 . 1 1 56 56 TRP N N 15 125.3961 0.15 . 1 . . . . . 39 TRP N . 27475 1 255 . 1 1 57 57 GLU H H 1 8.0697 0.01 . 1 . . . . . 40 GLU HN . 27475 1 256 . 1 1 57 57 GLU C C 13 175.2335 0.15 . 1 . . . . . 40 GLU C . 27475 1 257 . 1 1 57 57 GLU CA C 13 55.6753 0.15 . 1 . . . . . 40 GLU CA . 27475 1 258 . 1 1 57 57 GLU CB C 13 30.4270 0.15 . 1 . . . . . 40 GLU CB . 27475 1 259 . 1 1 57 57 GLU N N 15 123.1469 0.15 . 1 . . . . . 40 GLU N . 27475 1 260 . 1 1 58 58 ASP H H 1 8.2383 0.01 . 1 . . . . . 41 ASP HN . 27475 1 261 . 1 1 58 58 ASP C C 13 175.4083 0.15 . 1 . . . . . 41 ASP C . 27475 1 262 . 1 1 58 58 ASP CA C 13 54.0435 0.15 . 1 . . . . . 41 ASP CA . 27475 1 263 . 1 1 58 58 ASP CB C 13 40.7822 0.15 . 1 . . . . . 41 ASP CB . 27475 1 264 . 1 1 58 58 ASP N N 15 121.4666 0.15 . 1 . . . . . 41 ASP N . 27475 1 265 . 1 1 59 59 ASN H H 1 8.2769 0.01 . 1 . . . . . 42 ASN HN . 27475 1 266 . 1 1 59 59 ASN C C 13 174.6781 0.15 . 1 . . . . . 42 ASN C . 27475 1 267 . 1 1 59 59 ASN CA C 13 52.8220 0.15 . 1 . . . . . 42 ASN CA . 27475 1 268 . 1 1 59 59 ASN CB C 13 38.7150 0.15 . 1 . . . . . 42 ASN CB . 27475 1 269 . 1 1 59 59 ASN N N 15 118.7709 0.15 . 1 . . . . . 42 ASN N . 27475 1 270 . 1 1 60 60 TRP H H 1 8.1960 0.01 . 1 . . . . . 43 TRP HN . 27475 1 271 . 1 1 60 60 TRP C C 13 175.6600 0.15 . 1 . . . . . 43 TRP C . 27475 1 272 . 1 1 60 60 TRP CA C 13 56.8870 0.15 . 1 . . . . . 43 TRP CA . 27475 1 273 . 1 1 60 60 TRP CB C 13 29.0900 0.15 . 1 . . . . . 43 TRP CB . 27475 1 274 . 1 1 60 60 TRP N N 15 122.2000 0.15 . 1 . . . . . 43 TRP N . 27475 1 275 . 1 1 61 61 ASP H H 1 8.1680 0.01 . 1 . . . . . 44 ASP HN . 27475 1 276 . 1 1 61 61 ASP C C 13 176.0200 0.15 . 1 . . . . . 44 ASP C . 27475 1 277 . 1 1 61 61 ASP CA C 13 53.9670 0.15 . 1 . . . . . 44 ASP CA . 27475 1 278 . 1 1 61 61 ASP CB C 13 40.6000 0.15 . 1 . . . . . 44 ASP CB . 27475 1 279 . 1 1 61 61 ASP N N 15 122.1000 0.15 . 1 . . . . . 44 ASP N . 27475 1 280 . 1 1 62 62 ASP C C 13 175.5000 0.15 . 1 . . . . . 45 ASP C . 27475 1 281 . 1 1 62 62 ASP CA C 13 53.7900 0.15 . 1 . . . . . 45 ASP CA . 27475 1 282 . 1 1 62 62 ASP CB C 13 40.8700 0.15 . 1 . . . . . 45 ASP CB . 27475 1 283 . 1 1 63 63 ASP H H 1 8.0940 0.01 . 1 . . . . . 46 ASP HN . 27475 1 284 . 1 1 63 63 ASP C C 13 175.7977 0.15 . 1 . . . . . 46 ASP C . 27475 1 285 . 1 1 63 63 ASP CA C 13 54.1522 0.15 . 1 . . . . . 46 ASP CA . 27475 1 286 . 1 1 63 63 ASP CB C 13 40.4873 0.15 . 1 . . . . . 46 ASP CB . 27475 1 287 . 1 1 63 63 ASP N N 15 121.0000 0.15 . 1 . . . . . 46 ASP N . 27475 1 288 . 1 1 64 64 ASN H H 1 8.3049 0.01 . 1 . . . . . 47 ASN HN . 27475 1 289 . 1 1 64 64 ASN C C 13 174.8786 0.15 . 1 . . . . . 47 ASN C . 27475 1 290 . 1 1 64 64 ASN CA C 13 53.0386 0.15 . 1 . . . . . 47 ASN CA . 27475 1 291 . 1 1 64 64 ASN CB C 13 38.6280 0.15 . 1 . . . . . 47 ASN CB . 27475 1 292 . 1 1 64 64 ASN N N 15 119.1330 0.15 . 1 . . . . . 47 ASN N . 27475 1 293 . 1 1 65 65 VAL H H 1 8.1471 0.01 . 1 . . . . . 48 VAL HN . 27475 1 294 . 1 1 65 65 VAL C C 13 176.0739 0.15 . 1 . . . . . 48 VAL C . 27475 1 295 . 1 1 65 65 VAL CA C 13 62.0726 0.15 . 1 . . . . . 48 VAL CA . 27475 1 296 . 1 1 65 65 VAL CB C 13 32.2364 0.15 . 1 . . . . . 48 VAL CB . 27475 1 297 . 1 1 65 65 VAL N N 15 120.8682 0.15 . 1 . . . . . 48 VAL N . 27475 1 298 . 1 1 66 66 GLU H H 1 8.5430 0.01 . 1 . . . . . 49 GLU HN . 27475 1 299 . 1 1 66 66 GLU C C 13 175.9704 0.15 . 1 . . . . . 49 GLU C . 27475 1 300 . 1 1 66 66 GLU CA C 13 56.2003 0.15 . 1 . . . . . 49 GLU CA . 27475 1 301 . 1 1 66 66 GLU CB C 13 29.9566 0.15 . 1 . . . . . 49 GLU CB . 27475 1 302 . 1 1 66 66 GLU N N 15 124.8126 0.15 . 1 . . . . . 49 GLU N . 27475 1 303 . 1 1 67 67 ASP H H 1 8.3858 0.01 . 1 . . . . . 50 ASP HN . 27475 1 304 . 1 1 67 67 ASP C C 13 175.5934 0.15 . 1 . . . . . 50 ASP C . 27475 1 305 . 1 1 67 67 ASP CA C 13 54.0500 0.15 . 1 . . . . . 50 ASP CA . 27475 1 306 . 1 1 67 67 ASP CB C 13 40.9600 0.15 . 1 . . . . . 50 ASP CB . 27475 1 307 . 1 1 67 67 ASP N N 15 121.9753 0.15 . 1 . . . . . 50 ASP N . 27475 1 308 . 1 1 68 68 ASP H H 1 8.3560 0.01 . 1 . . . . . 51 ASP HN . 27475 1 309 . 1 1 68 68 ASP C C 13 176.7690 0.15 . 1 . . . . . 51 ASP C . 27475 1 310 . 1 1 68 68 ASP CA C 13 54.4900 0.15 . 1 . . . . . 51 ASP CA . 27475 1 311 . 1 1 68 68 ASP CB C 13 40.6100 0.15 . 1 . . . . . 51 ASP CB . 27475 1 312 . 1 1 68 68 ASP N N 15 120.9000 0.15 . 1 . . . . . 51 ASP N . 27475 1 313 . 1 1 69 69 PHE H H 1 8.4050 0.01 . 1 . . . . . 52 PHE HN . 27475 1 314 . 1 1 69 69 PHE C C 13 176.8590 0.15 . 1 . . . . . 52 PHE C . 27475 1 315 . 1 1 69 69 PHE CA C 13 59.0180 0.15 . 1 . . . . . 52 PHE CA . 27475 1 316 . 1 1 69 69 PHE CB C 13 38.3640 0.15 . 1 . . . . . 52 PHE CB . 27475 1 317 . 1 1 69 69 PHE N N 15 121.0000 0.15 . 1 . . . . . 52 PHE N . 27475 1 318 . 1 1 70 70 SER H H 1 8.3510 0.01 . 1 . . . . . 53 SER HN . 27475 1 319 . 1 1 70 70 SER C C 13 175.5900 0.15 . 1 . . . . . 53 SER C . 27475 1 320 . 1 1 70 70 SER CA C 13 60.3390 0.15 . 1 . . . . . 53 SER CA . 27475 1 321 . 1 1 70 70 SER CB C 13 62.5510 0.15 . 1 . . . . . 53 SER CB . 27475 1 322 . 1 1 70 70 SER N N 15 116.1640 0.15 . 1 . . . . . 53 SER N . 27475 1 323 . 1 1 71 71 ASN H H 1 8.3711 0.01 . 1 . . . . . 54 ASN HN . 27475 1 324 . 1 1 71 71 ASN C C 13 176.3880 0.15 . 1 . . . . . 54 ASN C . 27475 1 325 . 1 1 71 71 ASN CA C 13 54.4874 0.15 . 1 . . . . . 54 ASN CA . 27475 1 326 . 1 1 71 71 ASN CB C 13 38.0893 0.15 . 1 . . . . . 54 ASN CB . 27475 1 327 . 1 1 71 71 ASN N N 15 120.5940 0.15 . 1 . . . . . 54 ASN N . 27475 1 328 . 1 1 72 72 GLN H H 1 8.2328 0.01 . 1 . . . . . 55 GLN HN . 27475 1 329 . 1 1 72 72 GLN C C 13 177.0505 0.15 . 1 . . . . . 55 GLN C . 27475 1 330 . 1 1 72 72 GLN CA C 13 57.3039 0.15 . 1 . . . . . 55 GLN CA . 27475 1 331 . 1 1 72 72 GLN CB C 13 28.3140 0.15 . 1 . . . . . 55 GLN CB . 27475 1 332 . 1 1 72 72 GLN N N 15 120.7374 0.15 . 1 . . . . . 55 GLN N . 27475 1 333 . 1 1 73 73 LEU H H 1 8.0898 0.01 . 1 . . . . . 56 LEU HN . 27475 1 334 . 1 1 73 73 LEU C C 13 178.2583 0.15 . 1 . . . . . 56 LEU C . 27475 1 335 . 1 1 73 73 LEU CA C 13 56.3635 0.15 . 1 . . . . . 56 LEU CA . 27475 1 336 . 1 1 73 73 LEU CB C 13 41.6933 0.15 . 1 . . . . . 56 LEU CB . 27475 1 337 . 1 1 73 73 LEU N N 15 121.6747 0.15 . 1 . . . . . 56 LEU N . 27475 1 338 . 1 1 74 74 ARG H H 1 8.0657 0.01 . 1 . . . . . 57 ARG HN . 27475 1 339 . 1 1 74 74 ARG C C 13 177.1538 0.15 . 1 . . . . . 57 ARG C . 27475 1 340 . 1 1 74 74 ARG CA C 13 57.7164 0.15 . 1 . . . . . 57 ARG CA . 27475 1 341 . 1 1 74 74 ARG CB C 13 29.7588 0.15 . 1 . . . . . 57 ARG CB . 27475 1 342 . 1 1 74 74 ARG N N 15 120.3306 0.15 . 1 . . . . . 57 ARG N . 27475 1 343 . 1 1 75 75 ALA H H 1 8.0949 0.01 . 1 . . . . . 58 ALA HN . 27475 1 344 . 1 1 75 75 ALA C C 13 179.1594 0.15 . 1 . . . . . 58 ALA C . 27475 1 345 . 1 1 75 75 ALA CA C 13 53.6730 0.15 . 1 . . . . . 58 ALA CA . 27475 1 346 . 1 1 75 75 ALA CB C 13 18.1823 0.15 . 1 . . . . . 58 ALA CB . 27475 1 347 . 1 1 75 75 ALA N N 15 122.6062 0.15 . 1 . . . . . 58 ALA N . 27475 1 348 . 1 1 76 76 GLU H H 1 8.1428 0.01 . 1 . . . . . 59 GLU HN . 27475 1 349 . 1 1 76 76 GLU C C 13 177.5832 0.15 . 1 . . . . . 59 GLU C . 27475 1 350 . 1 1 76 76 GLU CA C 13 57.6000 0.15 . 1 . . . . . 59 GLU CA . 27475 1 351 . 1 1 76 76 GLU CB C 13 29.4668 0.15 . 1 . . . . . 59 GLU CB . 27475 1 352 . 1 1 76 76 GLU N N 15 119.0133 0.15 . 1 . . . . . 59 GLU N . 27475 1 353 . 1 1 77 77 LEU H H 1 8.0502 0.01 . 1 . . . . . 60 LEU HN . 27475 1 354 . 1 1 77 77 LEU C C 13 178.6378 0.15 . 1 . . . . . 60 LEU C . 27475 1 355 . 1 1 77 77 LEU CA C 13 56.4805 0.15 . 1 . . . . . 60 LEU CA . 27475 1 356 . 1 1 77 77 LEU CB C 13 41.6112 0.15 . 1 . . . . . 60 LEU CB . 27475 1 357 . 1 1 77 77 LEU N N 15 120.8798 0.15 . 1 . . . . . 60 LEU N . 27475 1 358 . 1 1 78 78 GLU H H 1 8.1447 0.01 . 1 . . . . . 61 GLU HN . 27475 1 359 . 1 1 78 78 GLU C C 13 177.2372 0.15 . 1 . . . . . 61 GLU C . 27475 1 360 . 1 1 78 78 GLU CA C 13 57.0313 0.15 . 1 . . . . . 61 GLU CA . 27475 1 361 . 1 1 78 78 GLU CB C 13 29.3580 0.15 . 1 . . . . . 61 GLU CB . 27475 1 362 . 1 1 78 78 GLU N N 15 119.6048 0.15 . 1 . . . . . 61 GLU N . 27475 1 363 . 1 1 79 79 LYS H H 1 7.9362 0.01 . 1 . . . . . 62 LYS HN . 27475 1 364 . 1 1 79 79 LYS C C 13 176.8068 0.15 . 1 . . . . . 62 LYS C . 27475 1 365 . 1 1 79 79 LYS CA C 13 56.9412 0.15 . 1 . . . . . 62 LYS CA . 27475 1 366 . 1 1 79 79 LYS CB C 13 32.3219 0.15 . 1 . . . . . 62 LYS CB . 27475 1 367 . 1 1 79 79 LYS N N 15 120.4620 0.15 . 1 . . . . . 62 LYS N . 27475 1 368 . 1 1 80 80 HIS H H 1 8.0694 0.01 . 1 . . . . . 63 HIS HN . 27475 1 369 . 1 1 80 80 HIS C C 13 175.8556 0.15 . 1 . . . . . 63 HIS C . 27475 1 370 . 1 1 80 80 HIS CA C 13 56.5810 0.15 . 1 . . . . . 63 HIS CA . 27475 1 371 . 1 1 80 80 HIS CB C 13 30.4099 0.15 . 1 . . . . . 63 HIS CB . 27475 1 372 . 1 1 80 80 HIS N N 15 118.5943 0.15 . 1 . . . . . 63 HIS N . 27475 1 373 . 1 1 81 81 GLY H H 1 8.2102 0.01 . 1 . . . . . 64 GLY HN . 27475 1 374 . 1 1 81 81 GLY C C 13 173.5947 0.15 . 1 . . . . . 64 GLY C . 27475 1 375 . 1 1 81 81 GLY CA C 13 45.1585 0.15 . 1 . . . . . 64 GLY CA . 27475 1 376 . 1 1 81 81 GLY N N 15 109.1443 0.15 . 1 . . . . . 64 GLY N . 27475 1 377 . 1 1 82 82 TYR H H 1 8.0463 0.01 . 1 . . . . . 65 TYR HN . 27475 1 378 . 1 1 82 82 TYR C C 13 175.2213 0.15 . 1 . . . . . 65 TYR C . 27475 1 379 . 1 1 82 82 TYR CA C 13 57.7440 0.15 . 1 . . . . . 65 TYR CA . 27475 1 380 . 1 1 82 82 TYR CB C 13 38.5251 0.15 . 1 . . . . . 65 TYR CB . 27475 1 381 . 1 1 82 82 TYR N N 15 120.0893 0.15 . 1 . . . . . 65 TYR N . 27475 1 382 . 1 1 83 83 LYS H H 1 8.1911 0.01 . 1 . . . . . 66 LYS HN . 27475 1 383 . 1 1 83 83 LYS C C 13 175.4731 0.15 . 1 . . . . . 66 LYS C . 27475 1 384 . 1 1 83 83 LYS CA C 13 55.5514 0.15 . 1 . . . . . 66 LYS CA . 27475 1 385 . 1 1 83 83 LYS CB C 13 32.7887 0.15 . 1 . . . . . 66 LYS CB . 27475 1 386 . 1 1 83 83 LYS N N 15 123.9112 0.15 . 1 . . . . . 66 LYS N . 27475 1 387 . 1 1 84 84 MET H H 1 8.4191 0.01 . 1 . . . . . 67 MET HN . 27475 1 388 . 1 1 84 84 MET C C 13 176.0347 0.15 . 1 . . . . . 67 MET C . 27475 1 389 . 1 1 84 84 MET CA C 13 55.1855 0.15 . 1 . . . . . 67 MET CA . 27475 1 390 . 1 1 84 84 MET CB C 13 32.4210 0.15 . 1 . . . . . 67 MET CB . 27475 1 391 . 1 1 84 84 MET N N 15 122.5322 0.15 . 1 . . . . . 67 MET N . 27475 1 392 . 1 1 85 85 GLU H H 1 8.6128 0.01 . 1 . . . . . 68 GLU HN . 27475 1 393 . 1 1 85 85 GLU C C 13 176.3347 0.15 . 1 . . . . . 68 GLU C . 27475 1 394 . 1 1 85 85 GLU CA C 13 56.2279 0.15 . 1 . . . . . 68 GLU CA . 27475 1 395 . 1 1 85 85 GLU CB C 13 30.1308 0.15 . 1 . . . . . 68 GLU CB . 27475 1 396 . 1 1 85 85 GLU N N 15 122.9196 0.15 . 1 . . . . . 68 GLU N . 27475 1 397 . 1 1 86 86 THR H H 1 8.3329 0.01 . 1 . . . . . 69 THR HN . 27475 1 398 . 1 1 86 86 THR C C 13 173.5898 0.15 . 1 . . . . . 69 THR C . 27475 1 399 . 1 1 86 86 THR CA C 13 61.6622 0.15 . 1 . . . . . 69 THR CA . 27475 1 400 . 1 1 86 86 THR CB C 13 69.5919 0.15 . 1 . . . . . 69 THR CB . 27475 1 401 . 1 1 86 86 THR N N 15 115.1068 0.15 . 1 . . . . . 69 THR N . 27475 1 402 . 1 1 87 87 SER H H 1 8.0797 0.01 . 1 . . . . . 70 SER HN . 27475 1 403 . 1 1 87 87 SER C C 13 178.3682 0.15 . 1 . . . . . 70 SER C . 27475 1 404 . 1 1 87 87 SER CA C 13 59.8349 0.15 . 1 . . . . . 70 SER CA . 27475 1 405 . 1 1 87 87 SER CB C 13 64.3832 0.15 . 1 . . . . . 70 SER CB . 27475 1 406 . 1 1 87 87 SER N N 15 123.5230 0.15 . 1 . . . . . 70 SER N . 27475 1 stop_ save_