data_27327 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27327 _Entry.Title ; Yes1 kinase SH3 domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-12-03 _Entry.Accession_date 2017-12-03 _Entry.Last_release_date 2017-12-04 _Entry.Original_release_date 2017-12-04 _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 Ashleigh Bachman . . . . 27327 2 Dimitra Keramisanou . . . . 27327 3 Vasantha 'Kumar M.V.' . . . . 27327 4 Ioannis Gelis . . . . 27327 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27327 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 117 27327 '15N chemical shifts' 60 27327 '1H chemical shifts' 60 27327 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 . . 2018-03-22 2017-12-03 update BMRB 'update entry citation' 27327 1 . . 2018-01-16 2017-12-03 original author 'original release' 27327 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27325 'Yes1-SH2 (SH2 domain of Yes1 kinase)' 27327 BMRB 27326 'Yes1 SH2 9domain in complex with Cdc37-derived phosphopeptide)' 27327 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27327 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1038/s41467-017-02711-w _Citation.PubMed_ID 29343704 _Citation.Full_citation . _Citation.Title ; Phosphorylation induced cochaperone unfolding promotes kinase recruitment and client class-specific Hsp90 phosphorylation ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 9 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _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 265 _Citation.Page_last 265 _Citation.Year 2018 _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 Ashleigh Bachman A. B. . . 27327 1 2 Dimitra Keramisanou D. . . . 27327 1 3 Wanping Xu W. . . . 27327 1 4 Kristin Beebe K. . . . 27327 1 5 Michael Moses M. A. . . 27327 1 6 M 'Vasantha Kumar' M. V. . . 27327 1 7 Geoffrey Gray G. . . . 27327 1 8 'Radwan Ebna' Noor R. E. . . 27327 1 9 Arjan 'van der Vaart' A. . . . 27327 1 10 Len Neckers L. . . . 27327 1 11 Ioannis Gelis I. . . . 27327 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27327 _Assembly.ID 1 _Assembly.Name 'Yes1-SH3 (Yes1 kinase SH3 domain)' _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 'SH3 domain' 1 $Yes1-SH3 A . yes native no no . . . 27327 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Yes1-SH3 _Entity.Sf_category entity _Entity.Sf_framecode Yes1-SH3 _Entity.Entry_ID 27327 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Yes1-SH3 _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 ; GGVTIFVALYDYEARTTEDL SFKKGERFQIINNTEGDWWE ARSIATGKNGYIPSNYVAPA DSI ; _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 63 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 91 GLY . 27327 1 2 92 GLY . 27327 1 3 93 VAL . 27327 1 4 94 THR . 27327 1 5 95 ILE . 27327 1 6 96 PHE . 27327 1 7 97 VAL . 27327 1 8 98 ALA . 27327 1 9 99 LEU . 27327 1 10 100 TYR . 27327 1 11 101 ASP . 27327 1 12 102 TYR . 27327 1 13 103 GLU . 27327 1 14 104 ALA . 27327 1 15 105 ARG . 27327 1 16 106 THR . 27327 1 17 107 THR . 27327 1 18 108 GLU . 27327 1 19 109 ASP . 27327 1 20 110 LEU . 27327 1 21 111 SER . 27327 1 22 112 PHE . 27327 1 23 113 LYS . 27327 1 24 114 LYS . 27327 1 25 115 GLY . 27327 1 26 116 GLU . 27327 1 27 117 ARG . 27327 1 28 118 PHE . 27327 1 29 119 GLN . 27327 1 30 120 ILE . 27327 1 31 121 ILE . 27327 1 32 122 ASN . 27327 1 33 123 ASN . 27327 1 34 124 THR . 27327 1 35 125 GLU . 27327 1 36 126 GLY . 27327 1 37 127 ASP . 27327 1 38 128 TRP . 27327 1 39 129 TRP . 27327 1 40 130 GLU . 27327 1 41 131 ALA . 27327 1 42 132 ARG . 27327 1 43 133 SER . 27327 1 44 134 ILE . 27327 1 45 135 ALA . 27327 1 46 136 THR . 27327 1 47 137 GLY . 27327 1 48 138 LYS . 27327 1 49 139 ASN . 27327 1 50 140 GLY . 27327 1 51 141 TYR . 27327 1 52 142 ILE . 27327 1 53 143 PRO . 27327 1 54 144 SER . 27327 1 55 145 ASN . 27327 1 56 146 TYR . 27327 1 57 147 VAL . 27327 1 58 148 ALA . 27327 1 59 149 PRO . 27327 1 60 150 ALA . 27327 1 61 151 ASP . 27327 1 62 152 SER . 27327 1 63 153 ILE . 27327 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 27327 1 . GLY 2 2 27327 1 . VAL 3 3 27327 1 . THR 4 4 27327 1 . ILE 5 5 27327 1 . PHE 6 6 27327 1 . VAL 7 7 27327 1 . ALA 8 8 27327 1 . LEU 9 9 27327 1 . TYR 10 10 27327 1 . ASP 11 11 27327 1 . TYR 12 12 27327 1 . GLU 13 13 27327 1 . ALA 14 14 27327 1 . ARG 15 15 27327 1 . THR 16 16 27327 1 . THR 17 17 27327 1 . GLU 18 18 27327 1 . ASP 19 19 27327 1 . LEU 20 20 27327 1 . SER 21 21 27327 1 . PHE 22 22 27327 1 . LYS 23 23 27327 1 . LYS 24 24 27327 1 . GLY 25 25 27327 1 . GLU 26 26 27327 1 . ARG 27 27 27327 1 . PHE 28 28 27327 1 . GLN 29 29 27327 1 . ILE 30 30 27327 1 . ILE 31 31 27327 1 . ASN 32 32 27327 1 . ASN 33 33 27327 1 . THR 34 34 27327 1 . GLU 35 35 27327 1 . GLY 36 36 27327 1 . ASP 37 37 27327 1 . TRP 38 38 27327 1 . TRP 39 39 27327 1 . GLU 40 40 27327 1 . ALA 41 41 27327 1 . ARG 42 42 27327 1 . SER 43 43 27327 1 . ILE 44 44 27327 1 . ALA 45 45 27327 1 . THR 46 46 27327 1 . GLY 47 47 27327 1 . LYS 48 48 27327 1 . ASN 49 49 27327 1 . GLY 50 50 27327 1 . TYR 51 51 27327 1 . ILE 52 52 27327 1 . PRO 53 53 27327 1 . SER 54 54 27327 1 . ASN 55 55 27327 1 . TYR 56 56 27327 1 . VAL 57 57 27327 1 . ALA 58 58 27327 1 . PRO 59 59 27327 1 . ALA 60 60 27327 1 . ASP 61 61 27327 1 . SER 62 62 27327 1 . ILE 63 63 27327 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 27327 _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 $Yes1-SH3 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27327 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 27327 _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 $Yes1-SH3 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . PDB.HIS.GST . . . 27327 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27327 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 Yes1-SH3 '[U-100% 13C; U-100% 15N]' . . 1 $Yes1-SH3 . . 0.5 . . mM . . . . 27327 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 27327 _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' 0.15 . M 27327 1 pH 6.5 . pH 27327 1 pressure 1 . atm 27327 1 temperature 273 . K 27327 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27327 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27327 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27327 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 27327 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model 'direct drive' _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 27327 _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 Agilent 'direct drive' . 800 . . . 27327 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 27327 _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 . . . . . . . . . . . . . . . . 27327 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27327 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27327 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27327 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27327 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 27327 _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 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 27327 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 27327 _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' . . . 27327 1 2 '3D CBCA(CO)NH' . . . 27327 1 3 '3D HNCA' . . . 27327 1 4 '3D HNCACB' . . . 27327 1 5 '3D HN(CO)CA' . . . 27327 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 1 1 GLY H H 1 8.389 . . . . . . . . 91 G HN . 27327 1 2 . 1 1 1 1 GLY CA C 13 45.500 . . . . . . . . 91 G CA . 27327 1 3 . 1 1 1 1 GLY N N 15 110.298 . . . . . . . . 91 G N . 27327 1 4 . 1 1 2 2 GLY H H 1 8.270 . . . . . . . . 92 G HN . 27327 1 5 . 1 1 2 2 GLY CA C 13 45.357 . . . . . . . . 92 G CA . 27327 1 6 . 1 1 2 2 GLY N N 15 108.900 . . . . . . . . 92 G N . 27327 1 7 . 1 1 3 3 VAL H H 1 7.927 . . . . . . . . 93 V HN . 27327 1 8 . 1 1 3 3 VAL CA C 13 62.245 . . . . . . . . 93 V CA . 27327 1 9 . 1 1 3 3 VAL CB C 13 33.043 . . . . . . . . 93 V CB . 27327 1 10 . 1 1 3 3 VAL N N 15 119.475 . . . . . . . . 93 V N . 27327 1 11 . 1 1 4 4 THR H H 1 8.468 . . . . . . . . 94 T HN . 27327 1 12 . 1 1 4 4 THR CA C 13 62.548 . . . . . . . . 94 T CA . 27327 1 13 . 1 1 4 4 THR CB C 13 70.240 . . . . . . . . 94 T CB . 27327 1 14 . 1 1 4 4 THR N N 15 119.849 . . . . . . . . 94 T N . 27327 1 15 . 1 1 5 5 ILE H H 1 8.195 . . . . . . . . 95 I HN . 27327 1 16 . 1 1 5 5 ILE CA C 13 59.107 . . . . . . . . 95 I CA . 27327 1 17 . 1 1 5 5 ILE CB C 13 37.981 . . . . . . . . 95 I CB . 27327 1 18 . 1 1 5 5 ILE N N 15 125.842 . . . . . . . . 95 I N . 27327 1 19 . 1 1 6 6 PHE H H 1 9.065 . . . . . . . . 96 F HN . 27327 1 20 . 1 1 6 6 PHE CA C 13 56.613 . . . . . . . . 96 F CA . 27327 1 21 . 1 1 6 6 PHE CB C 13 43.233 . . . . . . . . 96 F CB . 27327 1 22 . 1 1 6 6 PHE N N 15 127.130 . . . . . . . . 96 F N . 27327 1 23 . 1 1 7 7 VAL H H 1 9.738 . . . . . . . . 97 V HN . 27327 1 24 . 1 1 7 7 VAL CA C 13 59.093 . . . . . . . . 97 V CA . 27327 1 25 . 1 1 7 7 VAL CB C 13 35.784 . . . . . . . . 97 V CB . 27327 1 26 . 1 1 7 7 VAL N N 15 119.546 . . . . . . . . 97 V N . 27327 1 27 . 1 1 8 8 ALA H H 1 9.073 . . . . . . . . 98 A HN . 27327 1 28 . 1 1 8 8 ALA CA C 13 52.543 . . . . . . . . 98 A CA . 27327 1 29 . 1 1 8 8 ALA CB C 13 21.428 . . . . . . . . 98 A CB . 27327 1 30 . 1 1 8 8 ALA N N 15 126.370 . . . . . . . . 98 A N . 27327 1 31 . 1 1 9 9 LEU H H 1 9.522 . . . . . . . . 99 L HN . 27327 1 32 . 1 1 9 9 LEU CA C 13 55.677 . . . . . . . . 99 L CA . 27327 1 33 . 1 1 9 9 LEU CB C 13 43.239 . . . . . . . . 99 L CB . 27327 1 34 . 1 1 9 9 LEU N N 15 126.020 . . . . . . . . 99 L N . 27327 1 35 . 1 1 10 10 TYR H H 1 7.161 . . . . . . . . 100 Y HN . 27327 1 36 . 1 1 10 10 TYR CA C 13 53.915 . . . . . . . . 100 Y CA . 27327 1 37 . 1 1 10 10 TYR CB C 13 42.940 . . . . . . . . 100 Y CB . 27327 1 38 . 1 1 10 10 TYR N N 15 112.267 . . . . . . . . 100 Y N . 27327 1 39 . 1 1 11 11 ASP H H 1 8.285 . . . . . . . . 101 D HN . 27327 1 40 . 1 1 11 11 ASP CA C 13 54.534 . . . . . . . . 101 D CA . 27327 1 41 . 1 1 11 11 ASP CB C 13 42.141 . . . . . . . . 101 D CB . 27327 1 42 . 1 1 11 11 ASP N N 15 117.799 . . . . . . . . 101 D N . 27327 1 43 . 1 1 12 12 TYR H H 1 8.604 . . . . . . . . 102 Y HN . 27327 1 44 . 1 1 12 12 TYR CA C 13 58.483 . . . . . . . . 102 Y CA . 27327 1 45 . 1 1 12 12 TYR CB C 13 42.459 . . . . . . . . 102 Y CB . 27327 1 46 . 1 1 12 12 TYR N N 15 120.829 . . . . . . . . 102 Y N . 27327 1 47 . 1 1 13 13 GLU H H 1 7.280 . . . . . . . . 103 E HN . 27327 1 48 . 1 1 13 13 GLU CA C 13 53.771 . . . . . . . . 103 E CA . 27327 1 49 . 1 1 13 13 GLU CB C 13 30.922 . . . . . . . . 103 E CB . 27327 1 50 . 1 1 13 13 GLU N N 15 128.325 . . . . . . . . 103 E N . 27327 1 51 . 1 1 14 14 ALA H H 1 8.165 . . . . . . . . 104 A HN . 27327 1 52 . 1 1 14 14 ALA CA C 13 52.884 . . . . . . . . 104 A CA . 27327 1 53 . 1 1 14 14 ALA CB C 13 20.267 . . . . . . . . 104 A CB . 27327 1 54 . 1 1 14 14 ALA N N 15 126.097 . . . . . . . . 104 A N . 27327 1 55 . 1 1 15 15 ARG H H 1 9.648 . . . . . . . . 105 R HN . 27327 1 56 . 1 1 15 15 ARG CA C 13 56.697 . . . . . . . . 105 R CA . 27327 1 57 . 1 1 15 15 ARG CB C 13 32.513 . . . . . . . . 105 R CB . 27327 1 58 . 1 1 15 15 ARG N N 15 121.533 . . . . . . . . 105 R N . 27327 1 59 . 1 1 16 16 THR H H 1 8.501 . . . . . . . . 106 T HN . 27327 1 60 . 1 1 16 16 THR CA C 13 59.644 . . . . . . . . 106 T CA . 27327 1 61 . 1 1 16 16 THR CB C 13 71.953 . . . . . . . . 106 T CB . 27327 1 62 . 1 1 16 16 THR N N 15 111.927 . . . . . . . . 106 T N . 27327 1 63 . 1 1 17 17 THR H H 1 8.190 . . . . . . . . 107 T HN . 27327 1 64 . 1 1 17 17 THR CA C 13 63.782 . . . . . . . . 107 T CA . 27327 1 65 . 1 1 17 17 THR CB C 13 68.984 . . . . . . . . 107 T CB . 27327 1 66 . 1 1 17 17 THR N N 15 110.362 . . . . . . . . 107 T N . 27327 1 67 . 1 1 18 18 GLU H H 1 8.187 . . . . . . . . 108 E HN . 27327 1 68 . 1 1 18 18 GLU CA C 13 56.989 . . . . . . . . 108 E CA . 27327 1 69 . 1 1 18 18 GLU CB C 13 31.157 . . . . . . . . 108 E CB . 27327 1 70 . 1 1 18 18 GLU N N 15 118.735 . . . . . . . . 108 E N . 27327 1 71 . 1 1 19 19 ASP H H 1 8.090 . . . . . . . . 109 D HN . 27327 1 72 . 1 1 19 19 ASP CA C 13 52.916 . . . . . . . . 109 D CA . 27327 1 73 . 1 1 19 19 ASP CB C 13 42.491 . . . . . . . . 109 D CB . 27327 1 74 . 1 1 19 19 ASP N N 15 119.642 . . . . . . . . 109 D N . 27327 1 75 . 1 1 20 20 LEU H H 1 8.298 . . . . . . . . 110 L HN . 27327 1 76 . 1 1 20 20 LEU CA C 13 54.399 . . . . . . . . 110 L CA . 27327 1 77 . 1 1 20 20 LEU CB C 13 44.066 . . . . . . . . 110 L CB . 27327 1 78 . 1 1 20 20 LEU N N 15 120.350 . . . . . . . . 110 L N . 27327 1 79 . 1 1 21 21 SER H H 1 7.910 . . . . . . . . 111 S HN . 27327 1 80 . 1 1 21 21 SER CA C 13 58.282 . . . . . . . . 111 S CA . 27327 1 81 . 1 1 21 21 SER CB C 13 64.825 . . . . . . . . 111 S CB . 27327 1 82 . 1 1 21 21 SER N N 15 114.801 . . . . . . . . 111 S N . 27327 1 83 . 1 1 22 22 PHE H H 1 8.909 . . . . . . . . 112 F HN . 27327 1 84 . 1 1 22 22 PHE CA C 13 56.464 . . . . . . . . 112 F CA . 27327 1 85 . 1 1 22 22 PHE CB C 13 41.567 . . . . . . . . 112 F CB . 27327 1 86 . 1 1 22 22 PHE N N 15 117.059 . . . . . . . . 112 F N . 27327 1 87 . 1 1 23 23 LYS H H 1 8.521 . . . . . . . . 113 K HN . 27327 1 88 . 1 1 23 23 LYS CA C 13 52.999 . . . . . . . . 113 K CA . 27327 1 89 . 1 1 23 23 LYS CB C 13 35.472 . . . . . . . . 113 K CB . 27327 1 90 . 1 1 23 23 LYS N N 15 119.094 . . . . . . . . 113 K N . 27327 1 91 . 1 1 24 24 LYS H H 1 9.139 . . . . . . . . 114 K HN . 27327 1 92 . 1 1 24 24 LYS CA C 13 58.769 . . . . . . . . 114 K CA . 27327 1 93 . 1 1 24 24 LYS CB C 13 32.863 . . . . . . . . 114 K CB . 27327 1 94 . 1 1 24 24 LYS N N 15 121.066 . . . . . . . . 114 K N . 27327 1 95 . 1 1 25 25 GLY H H 1 8.919 . . . . . . . . 115 G HN . 27327 1 96 . 1 1 25 25 GLY CA C 13 44.932 . . . . . . . . 115 G CA . 27327 1 97 . 1 1 25 25 GLY N N 15 114.661 . . . . . . . . 115 G N . 27327 1 98 . 1 1 26 26 GLU H H 1 8.269 . . . . . . . . 116 E HN . 27327 1 99 . 1 1 26 26 GLU CA C 13 58.545 . . . . . . . . 116 E CA . 27327 1 100 . 1 1 26 26 GLU CB C 13 31.115 . . . . . . . . 116 E CB . 27327 1 101 . 1 1 26 26 GLU N N 15 123.710 . . . . . . . . 116 E N . 27327 1 102 . 1 1 27 27 ARG H H 1 7.775 . . . . . . . . 117 R HN . 27327 1 103 . 1 1 27 27 ARG CA C 13 55.003 . . . . . . . . 117 R CA . 27327 1 104 . 1 1 27 27 ARG CB C 13 33.591 . . . . . . . . 117 R CB . 27327 1 105 . 1 1 27 27 ARG N N 15 119.993 . . . . . . . . 117 R N . 27327 1 106 . 1 1 28 28 PHE H H 1 9.293 . . . . . . . . 118 F HN . 27327 1 107 . 1 1 28 28 PHE CA C 13 57.126 . . . . . . . . 118 F CA . 27327 1 108 . 1 1 28 28 PHE CB C 13 44.696 . . . . . . . . 118 F CB . 27327 1 109 . 1 1 28 28 PHE N N 15 117.639 . . . . . . . . 118 F N . 27327 1 110 . 1 1 29 29 GLN H H 1 8.930 . . . . . . . . 119 Q HN . 27327 1 111 . 1 1 29 29 GLN CA C 13 54.449 . . . . . . . . 119 Q CA . 27327 1 112 . 1 1 29 29 GLN CB C 13 30.625 . . . . . . . . 119 Q CB . 27327 1 113 . 1 1 29 29 GLN N N 15 119.834 . . . . . . . . 119 Q N . 27327 1 114 . 1 1 30 30 ILE H H 1 9.243 . . . . . . . . 120 I HN . 27327 1 115 . 1 1 30 30 ILE CA C 13 59.551 . . . . . . . . 120 I CA . 27327 1 116 . 1 1 30 30 ILE CB C 13 35.441 . . . . . . . . 120 I CB . 27327 1 117 . 1 1 30 30 ILE N N 15 126.270 . . . . . . . . 120 I N . 27327 1 118 . 1 1 31 31 ILE H H 1 8.703 . . . . . . . . 121 I HN . 27327 1 119 . 1 1 31 31 ILE CA C 13 61.871 . . . . . . . . 121 I CA . 27327 1 120 . 1 1 31 31 ILE CB C 13 38.921 . . . . . . . . 121 I CB . 27327 1 121 . 1 1 31 31 ILE N N 15 127.800 . . . . . . . . 121 I N . 27327 1 122 . 1 1 32 32 ASN H H 1 7.750 . . . . . . . . 122 N HN . 27327 1 123 . 1 1 32 32 ASN CA C 13 53.427 . . . . . . . . 122 N CA . 27327 1 124 . 1 1 32 32 ASN CB C 13 40.823 . . . . . . . . 122 N CB . 27327 1 125 . 1 1 32 32 ASN N N 15 116.633 . . . . . . . . 122 N N . 27327 1 126 . 1 1 33 33 ASN H H 1 8.342 . . . . . . . . 123 N HN . 27327 1 127 . 1 1 33 33 ASN CA C 13 52.028 . . . . . . . . 123 N CA . 27327 1 128 . 1 1 33 33 ASN CB C 13 36.817 . . . . . . . . 123 N CB . 27327 1 129 . 1 1 33 33 ASN N N 15 123.509 . . . . . . . . 123 N N . 27327 1 130 . 1 1 34 34 THR H H 1 7.810 . . . . . . . . 124 T HN . 27327 1 131 . 1 1 34 34 THR CA C 13 63.745 . . . . . . . . 124 T CA . 27327 1 132 . 1 1 34 34 THR CB C 13 69.703 . . . . . . . . 124 T CB . 27327 1 133 . 1 1 34 34 THR N N 15 112.344 . . . . . . . . 124 T N . 27327 1 134 . 1 1 35 35 GLU H H 1 8.564 . . . . . . . . 125 E HN . 27327 1 135 . 1 1 35 35 GLU CA C 13 56.220 . . . . . . . . 125 E CA . 27327 1 136 . 1 1 35 35 GLU CB C 13 30.333 . . . . . . . . 125 E CB . 27327 1 137 . 1 1 35 35 GLU N N 15 121.874 . . . . . . . . 125 E N . 27327 1 138 . 1 1 36 36 GLY H H 1 8.328 . . . . . . . . 126 G HN . 27327 1 139 . 1 1 36 36 GLY CA C 13 45.966 . . . . . . . . 126 G CA . 27327 1 140 . 1 1 36 36 GLY N N 15 108.401 . . . . . . . . 126 G N . 27327 1 141 . 1 1 37 37 ASP H H 1 8.513 . . . . . . . . 127 D HN . 27327 1 142 . 1 1 37 37 ASP CA C 13 55.547 . . . . . . . . 127 D CA . 27327 1 143 . 1 1 37 37 ASP CB C 13 41.295 . . . . . . . . 127 D CB . 27327 1 144 . 1 1 37 37 ASP N N 15 118.703 . . . . . . . . 127 D N . 27327 1 145 . 1 1 38 38 TRP H H 1 7.739 . . . . . . . . 128 W HN . 27327 1 146 . 1 1 38 38 TRP CA C 13 55.926 . . . . . . . . 128 W CA . 27327 1 147 . 1 1 38 38 TRP CB C 13 31.380 . . . . . . . . 128 W CB . 27327 1 148 . 1 1 38 38 TRP N N 15 120.731 . . . . . . . . 128 W N . 27327 1 149 . 1 1 39 39 TRP H H 1 9.143 . . . . . . . . 129 W HN . 27327 1 150 . 1 1 39 39 TRP CA C 13 52.924 . . . . . . . . 129 W CA . 27327 1 151 . 1 1 39 39 TRP CB C 13 32.083 . . . . . . . . 129 W CB . 27327 1 152 . 1 1 39 39 TRP N N 15 124.240 . . . . . . . . 129 W N . 27327 1 153 . 1 1 40 40 GLU H H 1 8.793 . . . . . . . . 130 E HN . 27327 1 154 . 1 1 40 40 GLU CA C 13 56.359 . . . . . . . . 130 E CA . 27327 1 155 . 1 1 40 40 GLU CB C 13 30.894 . . . . . . . . 130 E CB . 27327 1 156 . 1 1 40 40 GLU N N 15 123.545 . . . . . . . . 130 E N . 27327 1 157 . 1 1 41 41 ALA H H 1 9.316 . . . . . . . . 131 A HN . 27327 1 158 . 1 1 41 41 ALA CA C 13 51.039 . . . . . . . . 131 A CA . 27327 1 159 . 1 1 41 41 ALA CB C 13 25.708 . . . . . . . . 131 A CB . 27327 1 160 . 1 1 41 41 ALA N N 15 131.011 . . . . . . . . 131 A N . 27327 1 161 . 1 1 42 42 ARG H H 1 8.929 . . . . . . . . 132 R HN . 27327 1 162 . 1 1 42 42 ARG CA C 13 54.010 . . . . . . . . 132 R CA . 27327 1 163 . 1 1 42 42 ARG CB C 13 33.940 . . . . . . . . 132 R CB . 27327 1 164 . 1 1 42 42 ARG N N 15 118.580 . . . . . . . . 132 R N . 27327 1 165 . 1 1 43 43 SER H H 1 8.849 . . . . . . . . 133 S HN . 27327 1 166 . 1 1 43 43 SER CA C 13 57.793 . . . . . . . . 133 S CA . 27327 1 167 . 1 1 43 43 SER CB C 13 63.179 . . . . . . . . 133 S CB . 27327 1 168 . 1 1 43 43 SER N N 15 120.569 . . . . . . . . 133 S N . 27327 1 169 . 1 1 44 44 ILE H H 1 8.572 . . . . . . . . 134 I HN . 27327 1 170 . 1 1 44 44 ILE CA C 13 63.329 . . . . . . . . 134 I CA . 27327 1 171 . 1 1 44 44 ILE CB C 13 37.404 . . . . . . . . 134 I CB . 27327 1 172 . 1 1 44 44 ILE N N 15 131.491 . . . . . . . . 134 I N . 27327 1 173 . 1 1 45 45 ALA H H 1 8.148 . . . . . . . . 135 A HN . 27327 1 174 . 1 1 45 45 ALA CA C 13 54.826 . . . . . . . . 135 A CA . 27327 1 175 . 1 1 45 45 ALA CB C 13 19.443 . . . . . . . . 135 A CB . 27327 1 176 . 1 1 45 45 ALA N N 15 121.640 . . . . . . . . 135 A N . 27327 1 177 . 1 1 46 46 THR H H 1 7.912 . . . . . . . . 136 T HN . 27327 1 178 . 1 1 46 46 THR CA C 13 61.473 . . . . . . . . 136 T CA . 27327 1 179 . 1 1 46 46 THR CB C 13 71.430 . . . . . . . . 136 T CB . 27327 1 180 . 1 1 46 46 THR N N 15 103.545 . . . . . . . . 136 T N . 27327 1 181 . 1 1 47 47 GLY H H 1 8.182 . . . . . . . . 137 G HN . 27327 1 182 . 1 1 47 47 GLY CA C 13 45.877 . . . . . . . . 137 G CA . 27327 1 183 . 1 1 47 47 GLY N N 15 112.085 . . . . . . . . 137 G N . 27327 1 184 . 1 1 48 48 LYS H H 1 7.836 . . . . . . . . 138 K HN . 27327 1 185 . 1 1 48 48 LYS CA C 13 56.795 . . . . . . . . 138 K CA . 27327 1 186 . 1 1 48 48 LYS CB C 13 33.671 . . . . . . . . 138 K CB . 27327 1 187 . 1 1 48 48 LYS N N 15 120.688 . . . . . . . . 138 K N . 27327 1 188 . 1 1 49 49 ASN H H 1 8.381 . . . . . . . . 139 N HN . 27327 1 189 . 1 1 49 49 ASN CA C 13 51.617 . . . . . . . . 139 N CA . 27327 1 190 . 1 1 49 49 ASN CB C 13 41.845 . . . . . . . . 139 N CB . 27327 1 191 . 1 1 49 49 ASN N N 15 118.470 . . . . . . . . 139 N N . 27327 1 192 . 1 1 50 50 GLY H H 1 8.842 . . . . . . . . 140 G HN . 27327 1 193 . 1 1 50 50 GLY CA C 13 45.670 . . . . . . . . 140 G CA . 27327 1 194 . 1 1 50 50 GLY N N 15 108.958 . . . . . . . . 140 G N . 27327 1 195 . 1 1 51 51 TYR H H 1 8.583 . . . . . . . . 141 Y HN . 27327 1 196 . 1 1 51 51 TYR CA C 13 58.394 . . . . . . . . 141 Y CA . 27327 1 197 . 1 1 51 51 TYR CB C 13 40.422 . . . . . . . . 141 Y CB . 27327 1 198 . 1 1 51 51 TYR N N 15 119.043 . . . . . . . . 141 Y N . 27327 1 199 . 1 1 52 52 ILE H H 1 9.238 . . . . . . . . 142 I HN . 27327 1 200 . 1 1 52 52 ILE CA C 13 57.402 . . . . . . . . 142 I CA . 27327 1 201 . 1 1 52 52 ILE CB C 13 40.184 . . . . . . . . 142 I CB . 27327 1 202 . 1 1 52 52 ILE N N 15 112.619 . . . . . . . . 142 I N . 27327 1 203 . 1 1 53 53 PRO CA C 13 61.073 . . . . . . . . 143 P CA . 27327 1 204 . 1 1 53 53 PRO CB C 13 30.051 . . . . . . . . 143 P CB . 27327 1 205 . 1 1 54 54 SER H H 1 7.699 . . . . . . . . 144 S HN . 27327 1 206 . 1 1 54 54 SER CA C 13 60.748 . . . . . . . . 144 S CA . 27327 1 207 . 1 1 54 54 SER N N 15 121.441 . . . . . . . . 144 S N . 27327 1 208 . 1 1 55 55 ASN H H 1 8.049 . . . . . . . . 145 N HN . 27327 1 209 . 1 1 55 55 ASN CA C 13 53.490 . . . . . . . . 145 N CA . 27327 1 210 . 1 1 55 55 ASN CB C 13 36.628 . . . . . . . . 145 N CB . 27327 1 211 . 1 1 55 55 ASN N N 15 115.004 . . . . . . . . 145 N N . 27327 1 212 . 1 1 56 56 TYR H H 1 7.804 . . . . . . . . 146 Y HN . 27327 1 213 . 1 1 56 56 TYR CA C 13 58.579 . . . . . . . . 146 Y CA . 27327 1 214 . 1 1 56 56 TYR CB C 13 39.516 . . . . . . . . 146 Y CB . 27327 1 215 . 1 1 56 56 TYR N N 15 119.114 . . . . . . . . 146 Y N . 27327 1 216 . 1 1 57 57 VAL H H 1 7.144 . . . . . . . . 147 V HN . 27327 1 217 . 1 1 57 57 VAL CA C 13 58.453 . . . . . . . . 147 V CA . 27327 1 218 . 1 1 57 57 VAL CB C 13 36.938 . . . . . . . . 147 V CB . 27327 1 219 . 1 1 57 57 VAL N N 15 109.037 . . . . . . . . 147 V N . 27327 1 220 . 1 1 58 58 ALA H H 1 8.814 . . . . . . . . 148 A HN . 27327 1 221 . 1 1 58 58 ALA CA C 13 49.963 . . . . . . . . 148 A CA . 27327 1 222 . 1 1 58 58 ALA CB C 13 21.509 . . . . . . . . 148 A CB . 27327 1 223 . 1 1 58 58 ALA N N 15 122.135 . . . . . . . . 148 A N . 27327 1 224 . 1 1 59 59 PRO CA C 13 63.399 . . . . . . . . 149 P CA . 27327 1 225 . 1 1 59 59 PRO CB C 13 31.826 . . . . . . . . 149 P CB . 27327 1 226 . 1 1 60 60 ALA H H 1 8.387 . . . . . . . . 150 A HN . 27327 1 227 . 1 1 60 60 ALA CA C 13 52.214 . . . . . . . . 150 A CA . 27327 1 228 . 1 1 60 60 ALA CB C 13 19.650 . . . . . . . . 150 A CB . 27327 1 229 . 1 1 60 60 ALA N N 15 125.607 . . . . . . . . 150 A N . 27327 1 230 . 1 1 61 61 ASP H H 1 8.346 . . . . . . . . 151 D HN . 27327 1 231 . 1 1 61 61 ASP CA C 13 54.495 . . . . . . . . 151 D CA . 27327 1 232 . 1 1 61 61 ASP CB C 13 41.316 . . . . . . . . 151 D CB . 27327 1 233 . 1 1 61 61 ASP N N 15 119.975 . . . . . . . . 151 D N . 27327 1 234 . 1 1 62 62 SER H H 1 7.748 . . . . . . . . 152 S HN . 27327 1 235 . 1 1 62 62 SER CA C 13 59.922 . . . . . . . . 152 S CA . 27327 1 236 . 1 1 62 62 SER CB C 13 64.857 . . . . . . . . 152 S CB . 27327 1 237 . 1 1 62 62 SER N N 15 120.052 . . . . . . . . 152 S N . 27327 1 stop_ save_