data_26726 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26726 _Entry.Title ; Backbone 1H, 15N, and 13C resonance assignments of the Extracellular Adherence Protein Domain 4 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-01-08 _Entry.Accession_date 2016-01-08 _Entry.Last_release_date 2016-07-14 _Entry.Original_release_date 2016-07-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Jordan Woehl . . . . 26726 2 Daisuke Takahashi . . . . 26726 3 Alvaro Herrera . . . . 26726 4 Brian Geisbrecht . . . . 26726 5 Om Prakash . . . . 26726 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26726 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 181 26726 '15N chemical shifts' 92 26726 '1H chemical shifts' 92 26726 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2017-01-11 2016-01-08 update BMRB 'update entry citation' 26726 1 . . 2016-07-14 2016-01-08 original author 'original release' 26726 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26726 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27372920 _Citation.Full_citation . _Citation.Title ; 1H, 15N, and 13C resonance assignments of Staphylococcus aureus extracellular adherence protein domain 4 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 10 _Citation.Journal_issue 2 _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 301 _Citation.Page_last 305 _Citation.Year 2016 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Jordan Woehl . . . . 26726 1 2 Daisuke Takahashi . . . . 26726 1 3 Alvaro Herrera . . . . 26726 1 4 Brian Geisbrecht . . . . 26726 1 5 Om Prakash . . . . 26726 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26726 _Assembly.ID 1 _Assembly.Name 'Extracellular Adherence Protein' _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 'Domain 4' 1 $Eap4 A . yes native no no . . . 26726 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Eap4 _Entity.Sf_category entity _Entity.Sf_framecode Eap4 _Entity.Entry_ID 26726 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Eap4 _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 ; GSTVPYTIAVNGTSTPILSK LKISNKQLISYKYLNDKVKS VLKSERGISDLDLKFAKQAK YTVYFKNGKKQVVNLKSDIF TPNLFSAKDIKKIDIDVK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 98 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 GLY . 26726 1 2 2 SER . 26726 1 3 3 THR . 26726 1 4 4 VAL . 26726 1 5 5 PRO . 26726 1 6 6 TYR . 26726 1 7 7 THR . 26726 1 8 8 ILE . 26726 1 9 9 ALA . 26726 1 10 10 VAL . 26726 1 11 11 ASN . 26726 1 12 12 GLY . 26726 1 13 13 THR . 26726 1 14 14 SER . 26726 1 15 15 THR . 26726 1 16 16 PRO . 26726 1 17 17 ILE . 26726 1 18 18 LEU . 26726 1 19 19 SER . 26726 1 20 20 LYS . 26726 1 21 21 LEU . 26726 1 22 22 LYS . 26726 1 23 23 ILE . 26726 1 24 24 SER . 26726 1 25 25 ASN . 26726 1 26 26 LYS . 26726 1 27 27 GLN . 26726 1 28 28 LEU . 26726 1 29 29 ILE . 26726 1 30 30 SER . 26726 1 31 31 TYR . 26726 1 32 32 LYS . 26726 1 33 33 TYR . 26726 1 34 34 LEU . 26726 1 35 35 ASN . 26726 1 36 36 ASP . 26726 1 37 37 LYS . 26726 1 38 38 VAL . 26726 1 39 39 LYS . 26726 1 40 40 SER . 26726 1 41 41 VAL . 26726 1 42 42 LEU . 26726 1 43 43 LYS . 26726 1 44 44 SER . 26726 1 45 45 GLU . 26726 1 46 46 ARG . 26726 1 47 47 GLY . 26726 1 48 48 ILE . 26726 1 49 49 SER . 26726 1 50 50 ASP . 26726 1 51 51 LEU . 26726 1 52 52 ASP . 26726 1 53 53 LEU . 26726 1 54 54 LYS . 26726 1 55 55 PHE . 26726 1 56 56 ALA . 26726 1 57 57 LYS . 26726 1 58 58 GLN . 26726 1 59 59 ALA . 26726 1 60 60 LYS . 26726 1 61 61 TYR . 26726 1 62 62 THR . 26726 1 63 63 VAL . 26726 1 64 64 TYR . 26726 1 65 65 PHE . 26726 1 66 66 LYS . 26726 1 67 67 ASN . 26726 1 68 68 GLY . 26726 1 69 69 LYS . 26726 1 70 70 LYS . 26726 1 71 71 GLN . 26726 1 72 72 VAL . 26726 1 73 73 VAL . 26726 1 74 74 ASN . 26726 1 75 75 LEU . 26726 1 76 76 LYS . 26726 1 77 77 SER . 26726 1 78 78 ASP . 26726 1 79 79 ILE . 26726 1 80 80 PHE . 26726 1 81 81 THR . 26726 1 82 82 PRO . 26726 1 83 83 ASN . 26726 1 84 84 LEU . 26726 1 85 85 PHE . 26726 1 86 86 SER . 26726 1 87 87 ALA . 26726 1 88 88 LYS . 26726 1 89 89 ASP . 26726 1 90 90 ILE . 26726 1 91 91 LYS . 26726 1 92 92 LYS . 26726 1 93 93 ILE . 26726 1 94 94 ASP . 26726 1 95 95 ILE . 26726 1 96 96 ASP . 26726 1 97 97 VAL . 26726 1 98 98 LYS . 26726 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 26726 1 . SER 2 2 26726 1 . THR 3 3 26726 1 . VAL 4 4 26726 1 . PRO 5 5 26726 1 . TYR 6 6 26726 1 . THR 7 7 26726 1 . ILE 8 8 26726 1 . ALA 9 9 26726 1 . VAL 10 10 26726 1 . ASN 11 11 26726 1 . GLY 12 12 26726 1 . THR 13 13 26726 1 . SER 14 14 26726 1 . THR 15 15 26726 1 . PRO 16 16 26726 1 . ILE 17 17 26726 1 . LEU 18 18 26726 1 . SER 19 19 26726 1 . LYS 20 20 26726 1 . LEU 21 21 26726 1 . LYS 22 22 26726 1 . ILE 23 23 26726 1 . SER 24 24 26726 1 . ASN 25 25 26726 1 . LYS 26 26 26726 1 . GLN 27 27 26726 1 . LEU 28 28 26726 1 . ILE 29 29 26726 1 . SER 30 30 26726 1 . TYR 31 31 26726 1 . LYS 32 32 26726 1 . TYR 33 33 26726 1 . LEU 34 34 26726 1 . ASN 35 35 26726 1 . ASP 36 36 26726 1 . LYS 37 37 26726 1 . VAL 38 38 26726 1 . LYS 39 39 26726 1 . SER 40 40 26726 1 . VAL 41 41 26726 1 . LEU 42 42 26726 1 . LYS 43 43 26726 1 . SER 44 44 26726 1 . GLU 45 45 26726 1 . ARG 46 46 26726 1 . GLY 47 47 26726 1 . ILE 48 48 26726 1 . SER 49 49 26726 1 . ASP 50 50 26726 1 . LEU 51 51 26726 1 . ASP 52 52 26726 1 . LEU 53 53 26726 1 . LYS 54 54 26726 1 . PHE 55 55 26726 1 . ALA 56 56 26726 1 . LYS 57 57 26726 1 . GLN 58 58 26726 1 . ALA 59 59 26726 1 . LYS 60 60 26726 1 . TYR 61 61 26726 1 . THR 62 62 26726 1 . VAL 63 63 26726 1 . TYR 64 64 26726 1 . PHE 65 65 26726 1 . LYS 66 66 26726 1 . ASN 67 67 26726 1 . GLY 68 68 26726 1 . LYS 69 69 26726 1 . LYS 70 70 26726 1 . GLN 71 71 26726 1 . VAL 72 72 26726 1 . VAL 73 73 26726 1 . ASN 74 74 26726 1 . LEU 75 75 26726 1 . LYS 76 76 26726 1 . SER 77 77 26726 1 . ASP 78 78 26726 1 . ILE 79 79 26726 1 . PHE 80 80 26726 1 . THR 81 81 26726 1 . PRO 82 82 26726 1 . ASN 83 83 26726 1 . LEU 84 84 26726 1 . PHE 85 85 26726 1 . SER 86 86 26726 1 . ALA 87 87 26726 1 . LYS 88 88 26726 1 . ASP 89 89 26726 1 . ILE 90 90 26726 1 . LYS 91 91 26726 1 . LYS 92 92 26726 1 . ILE 93 93 26726 1 . ASP 94 94 26726 1 . ILE 95 95 26726 1 . ASP 96 96 26726 1 . VAL 97 97 26726 1 . LYS 98 98 26726 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 26726 _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 $Eap4 . 1280 organism . 'Staphylococcus aureus' firmicutes . . Bacteria . Staphylococcus aureus . . . . . . . . . . . . . 26726 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 26726 _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 $Eap4 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pT7HMT . . . 26726 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26726 _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 Eap4 '[U-99% 13C; U-99% 15N]' . . 1 $Eap4 . . . 0.5 1.0 mM . . . . 26726 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 26726 1 3 'sodium azide' 'natural abundance' . . . . . . 0.1 . . % . . . . 26726 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26726 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26726 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 26726 _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' 50 . mM 26726 1 pH 6.5 . pH 26726 1 pressure 1 . atm 26726 1 temperature 273 . K 26726 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 26726 _Software.ID 1 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 26726 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26726 1 'peak picking' 26726 1 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 26726 _Software.ID 2 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 26726 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 26726 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26726 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26726 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26726 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 26726 _Software.ID 4 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 26726 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'secondary structure prediction' 26726 4 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 26726 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VNMR _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 26726 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 26726 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian VNMR . 500 . . . 26726 1 2 spectrometer_2 Bruker 'Avance III' . 800 . . . 26726 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 26726 _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 . . . . . . . . . . . . . . . . . . . . . 26726 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26726 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26726 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26726 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26726 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26726 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26726 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26726 1 9 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26726 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 26726 _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 na indirect 0.25144953 . . . . . 26726 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 26726 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . . . 26726 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 26726 _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' . . . 26726 1 2 '2D 1H-13C HSQC' . . . 26726 1 3 '3D HNCA' . . . 26726 1 4 '3D HNCO' . . . 26726 1 5 '3D HN(CO)CA' . . . 26726 1 6 '3D HNCACB' . . . 26726 1 7 '3D HBHA(CO)NH' . . . 26726 1 8 '3D H(CCO)NH' . . . 26726 1 9 '3D CBCA(CO)NH' . . . 26726 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 THR H H 1 8.155 0.020 . 1 . . . . 3 THR H . 26726 1 2 . 1 1 3 3 THR CA C 13 60.746 0.3 . 1 . . . . 3 THR CA . 26726 1 3 . 1 1 3 3 THR CB C 13 71.022 0.3 . 1 . . . . 3 THR CB . 26726 1 4 . 1 1 3 3 THR N N 15 116.609 0.3 . 1 . . . . 3 THR N . 26726 1 5 . 1 1 4 4 VAL H H 1 8.765 0.020 . 1 . . . . 4 VAL H . 26726 1 6 . 1 1 4 4 VAL CA C 13 54.270 0.3 . 1 . . . . 4 VAL CA . 26726 1 7 . 1 1 4 4 VAL CB C 13 32.000 0.3 . 1 . . . . 4 VAL CB . 26726 1 8 . 1 1 4 4 VAL N N 15 123.097 0.3 . 1 . . . . 4 VAL N . 26726 1 9 . 1 1 6 6 TYR H H 1 8.354 0.020 . 1 . . . . 6 TYR H . 26726 1 10 . 1 1 6 6 TYR CA C 13 55.305 0.3 . 1 . . . . 6 TYR CA . 26726 1 11 . 1 1 6 6 TYR CB C 13 41.556 0.3 . 1 . . . . 6 TYR CB . 26726 1 12 . 1 1 6 6 TYR N N 15 117.106 0.3 . 1 . . . . 6 TYR N . 26726 1 13 . 1 1 7 7 THR H H 1 8.418 0.020 . 1 . . . . 7 THR H . 26726 1 14 . 1 1 7 7 THR CA C 13 58.932 0.3 . 1 . . . . 7 THR CA . 26726 1 15 . 1 1 7 7 THR CB C 13 72.094 0.3 . 1 . . . . 7 THR CB . 26726 1 16 . 1 1 7 7 THR N N 15 109.595 0.3 . 1 . . . . 7 THR N . 26726 1 17 . 1 1 8 8 ILE H H 1 8.692 0.020 . 1 . . . . 8 ILE H . 26726 1 18 . 1 1 8 8 ILE CA C 13 60.347 0.3 . 1 . . . . 8 ILE CA . 26726 1 19 . 1 1 8 8 ILE CB C 13 41.216 0.3 . 1 . . . . 8 ILE CB . 26726 1 20 . 1 1 8 8 ILE N N 15 119.663 0.3 . 1 . . . . 8 ILE N . 26726 1 21 . 1 1 9 9 ALA H H 1 8.664 0.020 . 1 . . . . 9 ALA H . 26726 1 22 . 1 1 9 9 ALA CA C 13 51.663 0.3 . 1 . . . . 9 ALA CA . 26726 1 23 . 1 1 9 9 ALA CB C 13 20.209 0.3 . 1 . . . . 9 ALA CB . 26726 1 24 . 1 1 9 9 ALA N N 15 132.603 0.3 . 1 . . . . 9 ALA N . 26726 1 25 . 1 1 10 10 VAL H H 1 8.182 0.020 . 1 . . . . 10 VAL H . 26726 1 26 . 1 1 10 10 VAL CA C 13 59.737 0.3 . 1 . . . . 10 VAL CA . 26726 1 27 . 1 1 10 10 VAL CB C 13 42.401 0.3 . 1 . . . . 10 VAL CB . 26726 1 28 . 1 1 10 10 VAL N N 15 119.738 0.3 . 1 . . . . 10 VAL N . 26726 1 29 . 1 1 11 11 ASN H H 1 9.369 0.020 . 1 . . . . 11 ASN H . 26726 1 30 . 1 1 11 11 ASN CA C 13 54.654 0.3 . 1 . . . . 11 ASN CA . 26726 1 31 . 1 1 11 11 ASN CB C 13 37.328 0.3 . 1 . . . . 11 ASN CB . 26726 1 32 . 1 1 11 11 ASN N N 15 124.499 0.3 . 1 . . . . 11 ASN N . 26726 1 33 . 1 1 12 12 GLY H H 1 9.299 0.020 . 1 . . . . 12 GLY H . 26726 1 34 . 1 1 12 12 GLY CA C 13 46.861 0.3 . 1 . . . . 12 GLY CA . 26726 1 35 . 1 1 12 12 GLY N N 15 105.904 0.3 . 1 . . . . 12 GLY N . 26726 1 36 . 1 1 13 13 THR H H 1 7.785 0.020 . 1 . . . . 13 THR H . 26726 1 37 . 1 1 13 13 THR CA C 13 60.541 0.3 . 1 . . . . 13 THR CA . 26726 1 38 . 1 1 13 13 THR CB C 13 70.349 0.3 . 1 . . . . 13 THR CB . 26726 1 39 . 1 1 13 13 THR N N 15 114.907 0.3 . 1 . . . . 13 THR N . 26726 1 40 . 1 1 14 14 SER H H 1 8.797 0.020 . 1 . . . . 14 SER H . 26726 1 41 . 1 1 14 14 SER CA C 13 57.721 0.3 . 1 . . . . 14 SER CA . 26726 1 42 . 1 1 14 14 SER CB C 13 64.158 0.3 . 1 . . . . 14 SER CB . 26726 1 43 . 1 1 14 14 SER N N 15 121.273 0.3 . 1 . . . . 14 SER N . 26726 1 44 . 1 1 15 15 THR H H 1 8.264 0.020 . 1 . . . . 15 THR H . 26726 1 45 . 1 1 15 15 THR CA C 13 58.730 0.3 . 1 . . . . 15 THR CA . 26726 1 46 . 1 1 15 15 THR CB C 13 69.458 0.3 . 1 . . . . 15 THR CB . 26726 1 47 . 1 1 15 15 THR N N 15 118.392 0.3 . 1 . . . . 15 THR N . 26726 1 48 . 1 1 17 17 ILE H H 1 8.145 0.020 . 1 . . . . 17 ILE H . 26726 1 49 . 1 1 17 17 ILE CA C 13 59.335 0.3 . 1 . . . . 17 ILE CA . 26726 1 50 . 1 1 17 17 ILE CB C 13 38.791 0.3 . 1 . . . . 17 ILE CB . 26726 1 51 . 1 1 17 17 ILE N N 15 122.480 0.3 . 1 . . . . 17 ILE N . 26726 1 52 . 1 1 18 18 LEU H H 1 8.847 0.020 . 1 . . . . 18 LEU H . 26726 1 53 . 1 1 18 18 LEU CA C 13 55.106 0.3 . 1 . . . . 18 LEU CA . 26726 1 54 . 1 1 18 18 LEU CB C 13 42.649 0.3 . 1 . . . . 18 LEU CB . 26726 1 55 . 1 1 18 18 LEU N N 15 127.927 0.3 . 1 . . . . 18 LEU N . 26726 1 56 . 1 1 19 19 SER H H 1 8.043 0.020 . 1 . . . . 19 SER H . 26726 1 57 . 1 1 19 19 SER CA C 13 56.715 0.3 . 1 . . . . 19 SER CA . 26726 1 58 . 1 1 19 19 SER CB C 13 63.456 0.3 . 1 . . . . 19 SER CB . 26726 1 59 . 1 1 19 19 SER N N 15 117.298 0.3 . 1 . . . . 19 SER N . 26726 1 60 . 1 1 20 20 LYS H H 1 8.476 0.020 . 1 . . . . 20 LYS H . 26726 1 61 . 1 1 20 20 LYS CA C 13 55.312 0.3 . 1 . . . . 20 LYS CA . 26726 1 62 . 1 1 20 20 LYS CB C 13 35.378 0.3 . 1 . . . . 20 LYS CB . 26726 1 63 . 1 1 20 20 LYS N N 15 119.014 0.3 . 1 . . . . 20 LYS N . 26726 1 64 . 1 1 21 21 LEU H H 1 9.324 0.020 . 1 . . . . 21 LEU H . 26726 1 65 . 1 1 21 21 LEU CA C 13 54.297 0.3 . 1 . . . . 21 LEU CA . 26726 1 66 . 1 1 21 21 LEU CB C 13 43.477 0.3 . 1 . . . . 21 LEU CB . 26726 1 67 . 1 1 21 21 LEU N N 15 124.725 0.3 . 1 . . . . 21 LEU N . 26726 1 68 . 1 1 22 22 LYS H H 1 8.617 0.020 . 1 . . . . 22 LYS H . 26726 1 69 . 1 1 22 22 LYS CA C 13 55.710 0.3 . 1 . . . . 22 LYS CA . 26726 1 70 . 1 1 22 22 LYS CB C 13 33.160 0.3 . 1 . . . . 22 LYS CB . 26726 1 71 . 1 1 22 22 LYS N N 15 126.973 0.3 . 1 . . . . 22 LYS N . 26726 1 72 . 1 1 23 23 ILE H H 1 8.701 0.020 . 1 . . . . 23 ILE H . 26726 1 73 . 1 1 23 23 ILE CA C 13 58.733 0.3 . 1 . . . . 23 ILE CA . 26726 1 74 . 1 1 23 23 ILE CB C 13 41.028 0.3 . 1 . . . . 23 ILE CB . 26726 1 75 . 1 1 23 23 ILE N N 15 122.905 0.3 . 1 . . . . 23 ILE N . 26726 1 76 . 1 1 25 25 ASN H H 1 8.415 0.020 . 1 . . . . 25 ASN H . 26726 1 77 . 1 1 25 25 ASN CA C 13 53.090 0.3 . 1 . . . . 25 ASN CA . 26726 1 78 . 1 1 25 25 ASN CB C 13 38.934 0.3 . 1 . . . . 25 ASN CB . 26726 1 79 . 1 1 25 25 ASN N N 15 121.912 0.3 . 1 . . . . 25 ASN N . 26726 1 80 . 1 1 26 26 LYS H H 1 8.008 0.020 . 1 . . . . 26 LYS H . 26726 1 81 . 1 1 26 26 LYS CA C 13 56.614 0.3 . 1 . . . . 26 LYS CA . 26726 1 82 . 1 1 26 26 LYS CB C 13 33.174 0.3 . 1 . . . . 26 LYS CB . 26726 1 83 . 1 1 26 26 LYS N N 15 119.037 0.3 . 1 . . . . 26 LYS N . 26726 1 84 . 1 1 27 27 GLN H H 1 7.707 0.020 . 1 . . . . 27 GLN H . 26726 1 85 . 1 1 27 27 GLN CA C 13 54.900 0.3 . 1 . . . . 27 GLN CA . 26726 1 86 . 1 1 27 27 GLN CB C 13 30.119 0.3 . 1 . . . . 27 GLN CB . 26726 1 87 . 1 1 27 27 GLN N N 15 116.627 0.3 . 1 . . . . 27 GLN N . 26726 1 88 . 1 1 28 28 LEU H H 1 8.124 0.020 . 1 . . . . 28 LEU H . 26726 1 89 . 1 1 28 28 LEU CA C 13 55.101 0.3 . 1 . . . . 28 LEU CA . 26726 1 90 . 1 1 28 28 LEU CB C 13 42.412 0.3 . 1 . . . . 28 LEU CB . 26726 1 91 . 1 1 28 28 LEU N N 15 120.972 0.3 . 1 . . . . 28 LEU N . 26726 1 92 . 1 1 29 29 ILE H H 1 8.802 0.020 . 1 . . . . 29 ILE H . 26726 1 93 . 1 1 29 29 ILE CA C 13 58.867 0.3 . 1 . . . . 29 ILE CA . 26726 1 94 . 1 1 29 29 ILE CB C 13 40.269 0.3 . 1 . . . . 29 ILE CB . 26726 1 95 . 1 1 29 29 ILE N N 15 117.597 0.3 . 1 . . . . 29 ILE N . 26726 1 96 . 1 1 30 30 SER H H 1 6.904 0.020 . 1 . . . . 30 SER H . 26726 1 97 . 1 1 30 30 SER CA C 13 55.099 0.3 . 1 . . . . 30 SER CA . 26726 1 98 . 1 1 30 30 SER CB C 13 67.353 0.3 . 1 . . . . 30 SER CB . 26726 1 99 . 1 1 30 30 SER N N 15 111.622 0.3 . 1 . . . . 30 SER N . 26726 1 100 . 1 1 31 31 TYR H H 1 9.412 0.020 . 1 . . . . 31 TYR H . 26726 1 101 . 1 1 31 31 TYR CA C 13 62.356 0.3 . 1 . . . . 31 TYR CA . 26726 1 102 . 1 1 31 31 TYR CB C 13 37.338 0.3 . 1 . . . . 31 TYR CB . 26726 1 103 . 1 1 31 31 TYR N N 15 119.221 0.3 . 1 . . . . 31 TYR N . 26726 1 104 . 1 1 32 32 LYS H H 1 7.820 0.020 . 1 . . . . 32 LYS H . 26726 1 105 . 1 1 32 32 LYS CA C 13 59.543 0.3 . 1 . . . . 32 LYS CA . 26726 1 106 . 1 1 32 32 LYS CB C 13 31.551 0.3 . 1 . . . . 32 LYS CB . 26726 1 107 . 1 1 32 32 LYS N N 15 120.022 0.3 . 1 . . . . 32 LYS N . 26726 1 108 . 1 1 33 33 TYR H H 1 7.409 0.020 . 1 . . . . 33 TYR H . 26726 1 109 . 1 1 33 33 TYR CA C 13 59.948 0.3 . 1 . . . . 33 TYR CA . 26726 1 110 . 1 1 33 33 TYR CB C 13 38.206 0.3 . 1 . . . . 33 TYR CB . 26726 1 111 . 1 1 33 33 TYR N N 15 119.462 0.3 . 1 . . . . 33 TYR N . 26726 1 112 . 1 1 34 34 LEU H H 1 8.065 0.020 . 1 . . . . 34 LEU H . 26726 1 113 . 1 1 34 34 LEU CA C 13 57.312 0.3 . 1 . . . . 34 LEU CA . 26726 1 114 . 1 1 34 34 LEU CB C 13 41.309 0.3 . 1 . . . . 34 LEU CB . 26726 1 115 . 1 1 34 34 LEU N N 15 119.853 0.3 . 1 . . . . 34 LEU N . 26726 1 116 . 1 1 35 35 ASN H H 1 9.276 0.020 . 1 . . . . 35 ASN H . 26726 1 117 . 1 1 35 35 ASN CA C 13 56.318 0.3 . 1 . . . . 35 ASN CA . 26726 1 118 . 1 1 35 35 ASN CB C 13 37.239 0.3 . 1 . . . . 35 ASN CB . 26726 1 119 . 1 1 35 35 ASN N N 15 120.048 0.3 . 1 . . . . 35 ASN N . 26726 1 120 . 1 1 36 36 ASP H H 1 7.349 0.020 . 1 . . . . 36 ASP H . 26726 1 121 . 1 1 36 36 ASP CA C 13 57.249 0.3 . 1 . . . . 36 ASP CA . 26726 1 122 . 1 1 36 36 ASP CB C 13 39.571 0.3 . 1 . . . . 36 ASP CB . 26726 1 123 . 1 1 36 36 ASP N N 15 118.390 0.3 . 1 . . . . 36 ASP N . 26726 1 124 . 1 1 37 37 LYS H H 1 7.587 0.020 . 1 . . . . 37 LYS H . 26726 1 125 . 1 1 37 37 LYS CA C 13 57.013 0.3 . 1 . . . . 37 LYS CA . 26726 1 126 . 1 1 37 37 LYS CB C 13 30.611 0.3 . 1 . . . . 37 LYS CB . 26726 1 127 . 1 1 37 37 LYS N N 15 120.505 0.3 . 1 . . . . 37 LYS N . 26726 1 128 . 1 1 38 38 VAL H H 1 8.758 0.020 . 1 . . . . 38 VAL H . 26726 1 129 . 1 1 38 38 VAL CA C 13 64.982 0.3 . 1 . . . . 38 VAL CA . 26726 1 130 . 1 1 38 38 VAL CB C 13 30.428 0.3 . 1 . . . . 38 VAL CB . 26726 1 131 . 1 1 38 38 VAL N N 15 121.279 0.3 . 1 . . . . 38 VAL N . 26726 1 132 . 1 1 39 39 LYS H H 1 8.485 0.020 . 1 . . . . 39 LYS H . 26726 1 133 . 1 1 39 39 LYS CA C 13 60.354 0.3 . 1 . . . . 39 LYS CA . 26726 1 134 . 1 1 39 39 LYS CB C 13 31.520 0.3 . 1 . . . . 39 LYS CB . 26726 1 135 . 1 1 39 39 LYS N N 15 118.348 0.3 . 1 . . . . 39 LYS N . 26726 1 136 . 1 1 40 40 SER H H 1 7.856 0.020 . 1 . . . . 40 SER H . 26726 1 137 . 1 1 40 40 SER CA C 13 61.120 0.3 . 1 . . . . 40 SER CA . 26726 1 138 . 1 1 40 40 SER CB C 13 62.542 0.3 . 1 . . . . 40 SER CB . 26726 1 139 . 1 1 40 40 SER N N 15 115.081 0.3 . 1 . . . . 40 SER N . 26726 1 140 . 1 1 41 41 VAL H H 1 7.666 0.020 . 1 . . . . 41 VAL H . 26726 1 141 . 1 1 41 41 VAL CA C 13 63.362 0.3 . 1 . . . . 41 VAL CA . 26726 1 142 . 1 1 41 41 VAL CB C 13 30.678 0.3 . 1 . . . . 41 VAL CB . 26726 1 143 . 1 1 41 41 VAL N N 15 119.544 0.3 . 1 . . . . 41 VAL N . 26726 1 144 . 1 1 42 42 LEU H H 1 8.068 0.020 . 1 . . . . 42 LEU H . 26726 1 145 . 1 1 42 42 LEU CA C 13 58.109 0.3 . 1 . . . . 42 LEU CA . 26726 1 146 . 1 1 42 42 LEU CB C 13 41.238 0.3 . 1 . . . . 42 LEU CB . 26726 1 147 . 1 1 42 42 LEU N N 15 122.111 0.3 . 1 . . . . 42 LEU N . 26726 1 148 . 1 1 43 43 LYS H H 1 7.711 0.020 . 1 . . . . 43 LYS H . 26726 1 149 . 1 1 43 43 LYS CA C 13 59.129 0.3 . 1 . . . . 43 LYS CA . 26726 1 150 . 1 1 43 43 LYS CB C 13 32.049 0.3 . 1 . . . . 43 LYS CB . 26726 1 151 . 1 1 43 43 LYS N N 15 120.051 0.3 . 1 . . . . 43 LYS N . 26726 1 152 . 1 1 44 44 SER H H 1 8.608 0.020 . 1 . . . . 44 SER H . 26726 1 153 . 1 1 44 44 SER CA C 13 60.748 0.3 . 1 . . . . 44 SER CA . 26726 1 154 . 1 1 44 44 SER CB C 13 62.472 0.3 . 1 . . . . 44 SER CB . 26726 1 155 . 1 1 44 44 SER N N 15 115.594 0.3 . 1 . . . . 44 SER N . 26726 1 156 . 1 1 45 45 GLU H H 1 8.902 0.020 . 1 . . . . 45 GLU H . 26726 1 157 . 1 1 45 45 GLU CA C 13 57.117 0.3 . 1 . . . . 45 GLU CA . 26726 1 158 . 1 1 45 45 GLU CB C 13 29.870 0.3 . 1 . . . . 45 GLU CB . 26726 1 159 . 1 1 45 45 GLU N N 15 117.311 0.3 . 1 . . . . 45 GLU N . 26726 1 160 . 1 1 46 46 ARG H H 1 7.003 0.020 . 1 . . . . 46 ARG H . 26726 1 161 . 1 1 46 46 ARG CA C 13 53.087 0.3 . 1 . . . . 46 ARG CA . 26726 1 162 . 1 1 46 46 ARG CB C 13 31.950 0.3 . 1 . . . . 46 ARG CB . 26726 1 163 . 1 1 46 46 ARG N N 15 112.852 0.3 . 1 . . . . 46 ARG N . 26726 1 164 . 1 1 47 47 GLY H H 1 7.662 0.020 . 1 . . . . 47 GLY H . 26726 1 165 . 1 1 47 47 GLY CA C 13 48.052 0.3 . 1 . . . . 47 GLY CA . 26726 1 166 . 1 1 47 47 GLY N N 15 110.248 0.3 . 1 . . . . 47 GLY N . 26726 1 167 . 1 1 48 48 ILE H H 1 7.362 0.020 . 1 . . . . 48 ILE H . 26726 1 168 . 1 1 48 48 ILE CA C 13 59.546 0.3 . 1 . . . . 48 ILE CA . 26726 1 169 . 1 1 48 48 ILE CB C 13 37.924 0.3 . 1 . . . . 48 ILE CB . 26726 1 170 . 1 1 48 48 ILE N N 15 122.411 0.3 . 1 . . . . 48 ILE N . 26726 1 171 . 1 1 49 49 SER H H 1 9.554 0.020 . 1 . . . . 49 SER H . 26726 1 172 . 1 1 49 49 SER CA C 13 56.513 0.3 . 1 . . . . 49 SER CA . 26726 1 173 . 1 1 49 49 SER CB C 13 66.395 0.3 . 1 . . . . 49 SER CB . 26726 1 174 . 1 1 49 49 SER N N 15 125.100 0.3 . 1 . . . . 49 SER N . 26726 1 175 . 1 1 50 50 ASP H H 1 8.623 0.020 . 1 . . . . 50 ASP H . 26726 1 176 . 1 1 50 50 ASP CA C 13 57.519 0.3 . 1 . . . . 50 ASP CA . 26726 1 177 . 1 1 50 50 ASP CB C 13 40.041 0.3 . 1 . . . . 50 ASP CB . 26726 1 178 . 1 1 50 50 ASP N N 15 119.108 0.3 . 1 . . . . 50 ASP N . 26726 1 179 . 1 1 51 51 LEU H H 1 8.037 0.020 . 1 . . . . 51 LEU H . 26726 1 180 . 1 1 51 51 LEU CA C 13 57.318 0.3 . 1 . . . . 51 LEU CA . 26726 1 181 . 1 1 51 51 LEU CB C 13 41.247 0.3 . 1 . . . . 51 LEU CB . 26726 1 182 . 1 1 51 51 LEU N N 15 120.776 0.3 . 1 . . . . 51 LEU N . 26726 1 183 . 1 1 52 52 ASP H H 1 7.413 0.020 . 1 . . . . 52 ASP H . 26726 1 184 . 1 1 52 52 ASP CA C 13 57.085 0.3 . 1 . . . . 52 ASP CA . 26726 1 185 . 1 1 52 52 ASP CB C 13 40.947 0.3 . 1 . . . . 52 ASP CB . 26726 1 186 . 1 1 52 52 ASP N N 15 118.302 0.3 . 1 . . . . 52 ASP N . 26726 1 187 . 1 1 53 53 LEU H H 1 7.855 0.020 . 1 . . . . 53 LEU H . 26726 1 188 . 1 1 53 53 LEU CA C 13 57.118 0.3 . 1 . . . . 53 LEU CA . 26726 1 189 . 1 1 53 53 LEU CB C 13 40.994 0.3 . 1 . . . . 53 LEU CB . 26726 1 190 . 1 1 53 53 LEU N N 15 118.534 0.3 . 1 . . . . 53 LEU N . 26726 1 191 . 1 1 54 54 LYS H H 1 7.564 0.020 . 1 . . . . 54 LYS H . 26726 1 192 . 1 1 54 54 LYS CA C 13 58.565 0.3 . 1 . . . . 54 LYS CA . 26726 1 193 . 1 1 54 54 LYS CB C 13 31.506 0.3 . 1 . . . . 54 LYS CB . 26726 1 194 . 1 1 54 54 LYS N N 15 118.104 0.3 . 1 . . . . 54 LYS N . 26726 1 195 . 1 1 55 55 PHE H H 1 7.393 0.020 . 1 . . . . 55 PHE H . 26726 1 196 . 1 1 55 55 PHE CA C 13 57.522 0.3 . 1 . . . . 55 PHE CA . 26726 1 197 . 1 1 55 55 PHE CB C 13 38.876 0.3 . 1 . . . . 55 PHE CB . 26726 1 198 . 1 1 55 55 PHE N N 15 114.943 0.3 . 1 . . . . 55 PHE N . 26726 1 199 . 1 1 56 56 ALA H H 1 7.354 0.020 . 1 . . . . 56 ALA H . 26726 1 200 . 1 1 56 56 ALA CA C 13 52.886 0.3 . 1 . . . . 56 ALA CA . 26726 1 201 . 1 1 56 56 ALA CB C 13 17.571 0.3 . 1 . . . . 56 ALA CB . 26726 1 202 . 1 1 56 56 ALA N N 15 123.728 0.3 . 1 . . . . 56 ALA N . 26726 1 203 . 1 1 57 57 LYS H H 1 9.244 0.020 . 1 . . . . 57 LYS H . 26726 1 204 . 1 1 57 57 LYS CA C 13 58.326 0.3 . 1 . . . . 57 LYS CA . 26726 1 205 . 1 1 57 57 LYS CB C 13 31.969 0.3 . 1 . . . . 57 LYS CB . 26726 1 206 . 1 1 57 57 LYS N N 15 124.771 0.3 . 1 . . . . 57 LYS N . 26726 1 207 . 1 1 58 58 GLN H H 1 8.540 0.020 . 1 . . . . 58 GLN H . 26726 1 208 . 1 1 58 58 GLN CA C 13 55.105 0.3 . 1 . . . . 58 GLN CA . 26726 1 209 . 1 1 58 58 GLN CB C 13 32.503 0.3 . 1 . . . . 58 GLN CB . 26726 1 210 . 1 1 58 58 GLN N N 15 116.644 0.3 . 1 . . . . 58 GLN N . 26726 1 211 . 1 1 59 59 ALA H H 1 9.318 0.020 . 1 . . . . 59 ALA H . 26726 1 212 . 1 1 59 59 ALA CA C 13 52.284 0.3 . 1 . . . . 59 ALA CA . 26726 1 213 . 1 1 59 59 ALA CB C 13 20.816 0.3 . 1 . . . . 59 ALA CB . 26726 1 214 . 1 1 59 59 ALA N N 15 127.205 0.3 . 1 . . . . 59 ALA N . 26726 1 215 . 1 1 60 60 LYS H H 1 8.961 0.020 . 1 . . . . 60 LYS H . 26726 1 216 . 1 1 60 60 LYS CA C 13 54.296 0.3 . 1 . . . . 60 LYS CA . 26726 1 217 . 1 1 60 60 LYS CB C 13 36.911 0.3 . 1 . . . . 60 LYS CB . 26726 1 218 . 1 1 60 60 LYS N N 15 122.099 0.3 . 1 . . . . 60 LYS N . 26726 1 219 . 1 1 61 61 TYR H H 1 8.915 0.020 . 1 . . . . 61 TYR H . 26726 1 220 . 1 1 61 61 TYR CA C 13 55.907 0.3 . 1 . . . . 61 TYR CA . 26726 1 221 . 1 1 61 61 TYR CB C 13 42.088 0.3 . 1 . . . . 61 TYR CB . 26726 1 222 . 1 1 61 61 TYR N N 15 113.804 0.3 . 1 . . . . 61 TYR N . 26726 1 223 . 1 1 62 62 THR H H 1 9.187 0.020 . 1 . . . . 62 THR H . 26726 1 224 . 1 1 62 62 THR CA C 13 60.543 0.3 . 1 . . . . 62 THR CA . 26726 1 225 . 1 1 62 62 THR CB C 13 70.053 0.3 . 1 . . . . 62 THR CB . 26726 1 226 . 1 1 62 62 THR N N 15 116.846 0.3 . 1 . . . . 62 THR N . 26726 1 227 . 1 1 63 63 VAL H H 1 9.131 0.020 . 1 . . . . 63 VAL H . 26726 1 228 . 1 1 63 63 VAL CA C 13 60.355 0.3 . 1 . . . . 63 VAL CA . 26726 1 229 . 1 1 63 63 VAL CB C 13 32.526 0.3 . 1 . . . . 63 VAL CB . 26726 1 230 . 1 1 63 63 VAL N N 15 126.723 0.3 . 1 . . . . 63 VAL N . 26726 1 231 . 1 1 64 64 TYR H H 1 8.465 0.020 . 1 . . . . 64 TYR H . 26726 1 232 . 1 1 64 64 TYR CA C 13 56.714 0.3 . 1 . . . . 64 TYR CA . 26726 1 233 . 1 1 64 64 TYR CB C 13 38.150 0.3 . 1 . . . . 64 TYR CB . 26726 1 234 . 1 1 64 64 TYR N N 15 124.495 0.3 . 1 . . . . 64 TYR N . 26726 1 235 . 1 1 65 65 PHE H H 1 9.083 0.020 . 1 . . . . 65 PHE H . 26726 1 236 . 1 1 65 65 PHE CA C 13 57.520 0.3 . 1 . . . . 65 PHE CA . 26726 1 237 . 1 1 65 65 PHE CB C 13 40.020 0.3 . 1 . . . . 65 PHE CB . 26726 1 238 . 1 1 65 65 PHE N N 15 122.347 0.3 . 1 . . . . 65 PHE N . 26726 1 239 . 1 1 66 66 LYS H H 1 9.244 0.020 . 1 . . . . 66 LYS H . 26726 1 240 . 1 1 66 66 LYS CA C 13 59.335 0.3 . 1 . . . . 66 LYS CA . 26726 1 241 . 1 1 66 66 LYS CB C 13 32.144 0.3 . 1 . . . . 66 LYS CB . 26726 1 242 . 1 1 66 66 LYS N N 15 123.176 0.3 . 1 . . . . 66 LYS N . 26726 1 243 . 1 1 67 67 ASN H H 1 8.360 0.020 . 1 . . . . 67 ASN H . 26726 1 244 . 1 1 67 67 ASN CA C 13 53.291 0.3 . 1 . . . . 67 ASN CA . 26726 1 245 . 1 1 67 67 ASN CB C 13 36.745 0.3 . 1 . . . . 67 ASN CB . 26726 1 246 . 1 1 67 67 ASN N N 15 115.967 0.3 . 1 . . . . 67 ASN N . 26726 1 247 . 1 1 68 68 GLY H H 1 7.984 0.020 . 1 . . . . 68 GLY H . 26726 1 248 . 1 1 68 68 GLY CA C 13 46.641 0.3 . 1 . . . . 68 GLY CA . 26726 1 249 . 1 1 68 68 GLY N N 15 107.348 0.3 . 1 . . . . 68 GLY N . 26726 1 250 . 1 1 69 69 LYS H H 1 7.871 0.020 . 1 . . . . 69 LYS H . 26726 1 251 . 1 1 69 69 LYS CA C 13 56.120 0.3 . 1 . . . . 69 LYS CA . 26726 1 252 . 1 1 69 69 LYS CB C 13 32.714 0.3 . 1 . . . . 69 LYS CB . 26726 1 253 . 1 1 69 69 LYS N N 15 121.243 0.3 . 1 . . . . 69 LYS N . 26726 1 254 . 1 1 70 70 LYS H H 1 8.517 0.020 . 1 . . . . 70 LYS H . 26726 1 255 . 1 1 70 70 LYS CA C 13 54.403 0.3 . 1 . . . . 70 LYS CA . 26726 1 256 . 1 1 70 70 LYS CB C 13 35.501 0.3 . 1 . . . . 70 LYS CB . 26726 1 257 . 1 1 70 70 LYS N N 15 119.306 0.3 . 1 . . . . 70 LYS N . 26726 1 258 . 1 1 71 71 GLN H H 1 8.685 0.020 . 1 . . . . 71 GLN H . 26726 1 259 . 1 1 71 71 GLN CA C 13 54.573 0.3 . 1 . . . . 71 GLN CA . 26726 1 260 . 1 1 71 71 GLN CB C 13 39.125 0.3 . 1 . . . . 71 GLN CB . 26726 1 261 . 1 1 71 71 GLN N N 15 121.483 0.3 . 1 . . . . 71 GLN N . 26726 1 262 . 1 1 72 72 VAL H H 1 8.657 0.020 . 1 . . . . 72 VAL H . 26726 1 263 . 1 1 72 72 VAL CA C 13 61.069 0.3 . 1 . . . . 72 VAL CA . 26726 1 264 . 1 1 72 72 VAL CB C 13 31.688 0.3 . 1 . . . . 72 VAL CB . 26726 1 265 . 1 1 72 72 VAL N N 15 128.421 0.3 . 1 . . . . 72 VAL N . 26726 1 266 . 1 1 73 73 VAL H H 1 9.322 0.020 . 1 . . . . 73 VAL H . 26726 1 267 . 1 1 73 73 VAL CA C 13 60.930 0.3 . 1 . . . . 73 VAL CA . 26726 1 268 . 1 1 73 73 VAL CB C 13 32.864 0.3 . 1 . . . . 73 VAL CB . 26726 1 269 . 1 1 73 73 VAL N N 15 131.361 0.3 . 1 . . . . 73 VAL N . 26726 1 270 . 1 1 74 74 ASN H H 1 8.660 0.020 . 1 . . . . 74 ASN H . 26726 1 271 . 1 1 74 74 ASN CA C 13 52.290 0.3 . 1 . . . . 74 ASN CA . 26726 1 272 . 1 1 74 74 ASN CB C 13 37.958 0.3 . 1 . . . . 74 ASN CB . 26726 1 273 . 1 1 74 74 ASN N N 15 123.852 0.3 . 1 . . . . 74 ASN N . 26726 1 274 . 1 1 75 75 LEU H H 1 9.082 0.020 . 1 . . . . 75 LEU H . 26726 1 275 . 1 1 75 75 LEU CA C 13 56.766 0.3 . 1 . . . . 75 LEU CA . 26726 1 276 . 1 1 75 75 LEU CB C 13 42.740 0.3 . 1 . . . . 75 LEU CB . 26726 1 277 . 1 1 75 75 LEU N N 15 127.378 0.3 . 1 . . . . 75 LEU N . 26726 1 278 . 1 1 76 76 LYS H H 1 8.290 0.020 . 1 . . . . 76 LYS H . 26726 1 279 . 1 1 76 76 LYS CA C 13 56.514 0.3 . 1 . . . . 76 LYS CA . 26726 1 280 . 1 1 76 76 LYS CB C 13 31.080 0.3 . 1 . . . . 76 LYS CB . 26726 1 281 . 1 1 76 76 LYS N N 15 115.919 0.3 . 1 . . . . 76 LYS N . 26726 1 282 . 1 1 77 77 SER H H 1 7.078 0.020 . 1 . . . . 77 SER H . 26726 1 283 . 1 1 77 77 SER CA C 13 56.713 0.3 . 1 . . . . 77 SER CA . 26726 1 284 . 1 1 77 77 SER CB C 13 63.784 0.3 . 1 . . . . 77 SER CB . 26726 1 285 . 1 1 77 77 SER N N 15 112.262 0.3 . 1 . . . . 77 SER N . 26726 1 286 . 1 1 78 78 ASP H H 1 8.471 0.020 . 1 . . . . 78 ASP H . 26726 1 287 . 1 1 78 78 ASP CA C 13 54.021 0.3 . 1 . . . . 78 ASP CA . 26726 1 288 . 1 1 78 78 ASP CB C 13 40.641 0.3 . 1 . . . . 78 ASP CB . 26726 1 289 . 1 1 78 78 ASP N N 15 124.577 0.3 . 1 . . . . 78 ASP N . 26726 1 290 . 1 1 79 79 ILE H H 1 7.676 0.020 . 1 . . . . 79 ILE H . 26726 1 291 . 1 1 79 79 ILE CA C 13 59.549 0.3 . 1 . . . . 79 ILE CA . 26726 1 292 . 1 1 79 79 ILE CB C 13 38.298 0.3 . 1 . . . . 79 ILE CB . 26726 1 293 . 1 1 79 79 ILE N N 15 120.238 0.3 . 1 . . . . 79 ILE N . 26726 1 294 . 1 1 80 80 PHE H H 1 8.356 0.020 . 1 . . . . 80 PHE H . 26726 1 295 . 1 1 80 80 PHE CA C 13 56.309 0.3 . 1 . . . . 80 PHE CA . 26726 1 296 . 1 1 80 80 PHE CB C 13 40.953 0.3 . 1 . . . . 80 PHE CB . 26726 1 297 . 1 1 80 80 PHE N N 15 124.992 0.3 . 1 . . . . 80 PHE N . 26726 1 298 . 1 1 81 81 THR H H 1 8.545 0.020 . 1 . . . . 81 THR H . 26726 1 299 . 1 1 81 81 THR CA C 13 59.334 0.3 . 1 . . . . 81 THR CA . 26726 1 300 . 1 1 81 81 THR CB C 13 69.009 0.3 . 1 . . . . 81 THR CB . 26726 1 301 . 1 1 81 81 THR N N 15 118.844 0.3 . 1 . . . . 81 THR N . 26726 1 302 . 1 1 83 83 ASN H H 1 7.970 0.020 . 1 . . . . 83 ASN H . 26726 1 303 . 1 1 83 83 ASN CA C 13 54.701 0.3 . 1 . . . . 83 ASN CA . 26726 1 304 . 1 1 83 83 ASN CB C 13 38.698 0.3 . 1 . . . . 83 ASN CB . 26726 1 305 . 1 1 83 83 ASN N N 15 118.352 0.3 . 1 . . . . 83 ASN N . 26726 1 306 . 1 1 84 84 LEU H H 1 8.339 0.020 . 1 . . . . 84 LEU H . 26726 1 307 . 1 1 84 84 LEU CA C 13 53.891 0.3 . 1 . . . . 84 LEU CA . 26726 1 308 . 1 1 84 84 LEU CB C 13 44.237 0.3 . 1 . . . . 84 LEU CB . 26726 1 309 . 1 1 84 84 LEU N N 15 121.994 0.3 . 1 . . . . 84 LEU N . 26726 1 310 . 1 1 85 85 PHE H H 1 8.369 0.020 . 1 . . . . 85 PHE H . 26726 1 311 . 1 1 85 85 PHE CA C 13 55.307 0.3 . 1 . . . . 85 PHE CA . 26726 1 312 . 1 1 85 85 PHE CB C 13 40.035 0.3 . 1 . . . . 85 PHE CB . 26726 1 313 . 1 1 85 85 PHE N N 15 118.120 0.3 . 1 . . . . 85 PHE N . 26726 1 314 . 1 1 86 86 SER H H 1 8.949 0.020 . 1 . . . . 86 SER H . 26726 1 315 . 1 1 86 86 SER CA C 13 56.724 0.3 . 1 . . . . 86 SER CA . 26726 1 316 . 1 1 86 86 SER CB C 13 63.752 0.3 . 1 . . . . 86 SER CB . 26726 1 317 . 1 1 86 86 SER N N 15 113.804 0.3 . 1 . . . . 86 SER N . 26726 1 318 . 1 1 87 87 ALA H H 1 9.237 0.020 . 1 . . . . 87 ALA H . 26726 1 319 . 1 1 87 87 ALA CA C 13 55.102 0.3 . 1 . . . . 87 ALA CA . 26726 1 320 . 1 1 87 87 ALA CB C 13 18.605 0.3 . 1 . . . . 87 ALA CB . 26726 1 321 . 1 1 87 87 ALA N N 15 129.363 0.3 . 1 . . . . 87 ALA N . 26726 1 322 . 1 1 88 88 LYS H H 1 8.245 0.020 . 1 . . . . 88 LYS H . 26726 1 323 . 1 1 88 88 LYS CA C 13 57.924 0.3 . 1 . . . . 88 LYS CA . 26726 1 324 . 1 1 88 88 LYS CB C 13 31.648 0.3 . 1 . . . . 88 LYS CB . 26726 1 325 . 1 1 88 88 LYS N N 15 115.247 0.3 . 1 . . . . 88 LYS N . 26726 1 326 . 1 1 89 89 ASP H H 1 7.598 0.020 . 1 . . . . 89 ASP H . 26726 1 327 . 1 1 89 89 ASP CA C 13 55.197 0.3 . 1 . . . . 89 ASP CA . 26726 1 328 . 1 1 89 89 ASP CB C 13 41.184 0.3 . 1 . . . . 89 ASP CB . 26726 1 329 . 1 1 89 89 ASP N N 15 116.262 0.3 . 1 . . . . 89 ASP N . 26726 1 330 . 1 1 90 90 ILE H H 1 7.423 0.020 . 1 . . . . 90 ILE H . 26726 1 331 . 1 1 90 90 ILE CA C 13 62.151 0.3 . 1 . . . . 90 ILE CA . 26726 1 332 . 1 1 90 90 ILE CB C 13 38.523 0.3 . 1 . . . . 90 ILE CB . 26726 1 333 . 1 1 90 90 ILE N N 15 119.511 0.3 . 1 . . . . 90 ILE N . 26726 1 334 . 1 1 91 91 LYS H H 1 9.657 0.020 . 1 . . . . 91 LYS H . 26726 1 335 . 1 1 91 91 LYS CA C 13 57.323 0.3 . 1 . . . . 91 LYS CA . 26726 1 336 . 1 1 91 91 LYS CB C 13 34.281 0.3 . 1 . . . . 91 LYS CB . 26726 1 337 . 1 1 91 91 LYS N N 15 128.598 0.3 . 1 . . . . 91 LYS N . 26726 1 338 . 1 1 92 92 LYS H H 1 7.574 0.020 . 1 . . . . 92 LYS H . 26726 1 339 . 1 1 92 92 LYS CA C 13 55.708 0.3 . 1 . . . . 92 LYS CA . 26726 1 340 . 1 1 92 92 LYS CB C 13 34.053 0.3 . 1 . . . . 92 LYS CB . 26726 1 341 . 1 1 92 92 LYS N N 15 112.422 0.3 . 1 . . . . 92 LYS N . 26726 1 342 . 1 1 93 93 ILE H H 1 8.174 0.020 . 1 . . . . 93 ILE H . 26726 1 343 . 1 1 93 93 ILE CA C 13 59.742 0.3 . 1 . . . . 93 ILE CA . 26726 1 344 . 1 1 93 93 ILE CB C 13 42.419 0.3 . 1 . . . . 93 ILE CB . 26726 1 345 . 1 1 93 93 ILE N N 15 119.739 0.3 . 1 . . . . 93 ILE N . 26726 1 346 . 1 1 94 94 ASP H H 1 8.956 0.020 . 1 . . . . 94 ASP H . 26726 1 347 . 1 1 94 94 ASP CA C 13 53.314 0.3 . 1 . . . . 94 ASP CA . 26726 1 348 . 1 1 94 94 ASP CB C 13 43.349 0.3 . 1 . . . . 94 ASP CB . 26726 1 349 . 1 1 94 94 ASP N N 15 126.099 0.3 . 1 . . . . 94 ASP N . 26726 1 350 . 1 1 95 95 ILE H H 1 9.024 0.020 . 1 . . . . 95 ILE H . 26726 1 351 . 1 1 95 95 ILE CA C 13 61.159 0.3 . 1 . . . . 95 ILE CA . 26726 1 352 . 1 1 95 95 ILE CB C 13 38.808 0.3 . 1 . . . . 95 ILE CB . 26726 1 353 . 1 1 95 95 ILE N N 15 127.298 0.3 . 1 . . . . 95 ILE N . 26726 1 354 . 1 1 96 96 ASP H H 1 9.416 0.020 . 1 . . . . 96 ASP H . 26726 1 355 . 1 1 96 96 ASP CA C 13 54.503 0.3 . 1 . . . . 96 ASP CA . 26726 1 356 . 1 1 96 96 ASP CB C 13 45.023 0.3 . 1 . . . . 96 ASP CB . 26726 1 357 . 1 1 96 96 ASP N N 15 131.865 0.3 . 1 . . . . 96 ASP N . 26726 1 358 . 1 1 97 97 VAL H H 1 8.615 0.020 . 1 . . . . 97 VAL H . 26726 1 359 . 1 1 97 97 VAL CA C 13 60.337 0.3 . 1 . . . . 97 VAL CA . 26726 1 360 . 1 1 97 97 VAL CB C 13 34.644 0.3 . 1 . . . . 97 VAL CB . 26726 1 361 . 1 1 97 97 VAL N N 15 125.647 0.3 . 1 . . . . 97 VAL N . 26726 1 362 . 1 1 98 98 LYS H H 1 9.135 0.020 . 1 . . . . 98 LYS H . 26726 1 363 . 1 1 98 98 LYS CA C 13 57.519 0.3 . 1 . . . . 98 LYS CA . 26726 1 364 . 1 1 98 98 LYS CB C 13 34.650 0.3 . 1 . . . . 98 LYS CB . 26726 1 365 . 1 1 98 98 LYS N N 15 132.096 0.3 . 1 . . . . 98 LYS N . 26726 1 stop_ save_